| 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 | 39.9 | Very low | 38.4 | Very low | 219 Ų | 219 | 146.5 Ų | 146.5 | 100% | 1.079 | 83% | 0.826 | S | S | * | * | 0 | 135.4 | 0 | -157 | 176 | -164.6 | 0 | 0 | 107.4 | |||||
| 2 | F | 32.5 | Very low | 38.6 | Very low | 185 Ų | 185 | 148.4 Ų | 148.4 | 81% | 0.811 | 83% | 0.831 | S | S | * | * | trans | 85.9 | 107.2 | 177 | -65.3 | -77.5 | 0 | 0 | 0 | 119.7 | ||||
| 3 | I | 39.4 | Very low | 38.8 | Very low | 136 Ų | 136 | 142.5 Ų | 142.5 | 70% | 0.697 | 81% | 0.812 | S | S | * | * | trans | -81.4 | 149.6 | 155.1 | -61.8 | 174.4 | 0 | 0 | 0 | 108.2 | Y5 | I3-Y5 HydrophobicContact CG2-CD2 4.18Å; I3-Y5 HydrophobicContact CG2-CE2 4.49Å; I3-Y5 VanDerWaalsContact CG2-N 3.34Å | ||
| 4 | P | 43.7 | Very low | 38.9 | Very low | 120 Ų | 120 | 139.8 Ų | 139.8 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | -133.9 | 119 | 120.8 | 25.3 | -7.6 | 0 | 0 | 0 | 111.5 | |||||
| 5 | Y | 37.3 | Very low | 39.1 | Very low | 211 Ų | 211 | 144.6 Ų | 144.6 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | 70.7 | 100.7 | 93.2 | -80.8 | -74.4 | 0 | 0 | 0 | 114.4 | I3 | I3-Y5 HydrophobicContact CG2-CD2 4.18Å; I3-Y5 HydrophobicContact CG2-CE2 4.49Å; I3-Y5 VanDerWaalsContact CG2-N 3.34Å | |||
| 6 | G | 36.1 | Very low | 39.6 | Very low | 67 Ų | 67 | 142.1 Ų | 142.1 | 69% | 0.691 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 170.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 7 | A | 37.7 | Very low | 40.1 | Very low | 103 Ų | 103 | 138.8 Ų | 138.8 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 138.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 8 | H | 36.8 | Very low | 40.2 | Very low | 183 Ų | 183 | 137.4 Ų | 137.4 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -102.9 | 123.5 | 161.1 | -86.4 | -66.4 | 0 | 0 | 0 | 109.9 | ||
| 9 | P | 41.7 | Very low | 40.6 | Very low | 119 Ų | 119 | 141.7 Ų | 141.7 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 160.6 | 166.6 | 30.9 | -26.5 | 0 | 0 | 0 | 110.8 | ||
| 10 | G | 39.2 | Very low | 41.1 | Very low | 75 Ų | 75 | 142.5 Ų | 142.5 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 136.6 | -160.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | L12 | G10-L12 PolarHBondContact O-N 3.04Š|
| 11 | M | 38.3 | Very low | 41.7 | Very low | 194 Ų | 194 | 143.7 Ų | 143.7 | 96% | 0.956 | 80% | 0.798 | S | S | * | * | trans | -77.3 | 100 | 163.7 | -148.1 | 171.8 | -154.5 | 0 | 0 | 106.9 | A13 | M11-A13 PolarHBondContact O-N 3.26Š| ||
| 12 | L | 40.2 | Very low | 42.6 | Very low | 169 Ų | 169 | 140 Ų | 140 | 89% | 0.885 | 78% | 0.778 | S | S | * | * | trans | -64.1 | 104.3 | 163.1 | -74.1 | 167.4 | 0 | 0 | 0 | 106.6 | G10 S14 | G10-L12 PolarHBondContact O-N 3.04Å; L12-S14 PolarHBondContact O-N 2.98Å | ||
| 13 | A | 41.2 | Very low | 44.7 | Very low | 71 Ų | 71 | 134 Ų | 134 | 59% | 0.587 | 76% | 0.757 | S | S | * | * | trans | -61 | 105.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | M11 Y15 | M11-A13 PolarHBondContact O-N 3.26Å; A13-Y15 VanDerWaalsContact C-N 3.35Å; A13-Y15 HydrophobicContact CB-CE2 4.43Å; A13-Y15 WeakPolarHBondContact O-CD2 3.45Å; A13-Y15 PolarHBondContact O-N 2.96Å | ||
| 14 | S | 40.7 | Very low | 46.5 | Very low | 105 Ų | 105 | 132.9 Ų | 132.9 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | trans | -64.3 | 99.2 | 167.3 | -179.1 | 0 | 0 | 0 | 0 | 107.2 | L12 S16 | L12-S14 PolarHBondContact O-N 2.98Å; S14-S16 PolarHBondContact O-N 2.92Å | ||
| 15 | Y | 42.3 | Very low | 48.2 | Very low | 212 Ų | 212 | 127.3 Ų | 127.3 | 83% | 0.831 | 72% | 0.716 | S | S | * | * | trans | -67.3 | 84.9 | 162.9 | -72.2 | -89 | 0 | 0 | 0 | 107.3 | A13 S17 | A13-Y15 VanDerWaalsContact C-N 3.35Å; A13-Y15 HydrophobicContact CB-CE2 4.43Å; A13-Y15 WeakPolarHBondContact O-CD2 3.45Å; A13-Y15 PolarHBondContact O-N 2.96Å; Y15-S17 PolarHBondContact O-N 2.87Å | ||
| 16 | S | 46.3 | Very low | 50.4 | Low | 105 Ų | 105 | 119 Ų | 119 | 73% | 0.734 | 69% | 0.687 | S | S | * | * | trans | -63.9 | 96.5 | 158.9 | -88.6 | 0 | 0 | 0 | 0 | 106.7 | S14 C18 | S14-S16 PolarHBondContact O-N 2.92Å; S16-C18 PolarHBondContact O-N 2.85Å | ||
| 17 | S | 48.1 | Very low | 52.7 | Low | 85 Ų | 85 | 117.5 Ų | 117.5 | 59% | 0.594 | 67% | 0.669 | S | S | * | * | trans | -58.9 | 95.5 | 162.8 | 13.1 | 0 | 0 | 0 | 0 | 107.1 | Y15 W19 | Y15-S17 PolarHBondContact O-N 2.87Å; S17-W19 PolarHBondContact O-N 2.87Å | ||
| 18 | C | 42.7 | Very low | 55.2 | Low | 114 Ų | 114 | 113.9 Ų | 113.9 | 77% | 0.77 | 64% | 0.636 | S | S | * | * | trans | -67.6 | 85.1 | 165.5 | -164 | 0 | 0 | 0 | 0 | 106.1 | S16 L20 | S16-C18 PolarHBondContact O-N 2.85Å; C18-L20 VanDerWaalsContact C-N 3.29Å; C18-L20 PolarHBondContact O-N 2.92Å | ||
| 19 | W | 46.4 | Very low | 58.1 | Low | 220 Ų | 220 | 105.2 Ų | 105.2 | 83% | 0.833 | 60% | 0.596 | S | S | * | * | trans | -61.4 | 100.6 | 164.3 | -65.4 | 94.5 | 0 | 0 | 0 | 105.7 | S17 L21 | S17-W19 PolarHBondContact O-N 2.87Å; W19-L21 PolarHBondContact O-N 2.91Å | ||
| 20 | L | 51.3 | Low | 60.6 | Low | 156 Ų | 156 | 99.6 Ų | 99.6 | 82% | 0.817 | 56% | 0.56 | S | S | * | * | trans | -52 | 108.6 | 168.1 | -76.3 | 157.5 | 0 | 0 | 0 | 106.2 | C18 Q22 | C18-L20 VanDerWaalsContact C-N 3.29Å; C18-L20 PolarHBondContact O-N 2.92Å; L20-Q22 PolarHBondContact O-N 2.84Å | ||
| 21 | L | 54.4 | Low | 63.3 | Low | 169 Ų | 169 | 97.8 Ų | 97.8 | 89% | 0.885 | 53% | 0.534 | S | S | * | . | trans | -54.8 | 104.6 | 175.6 | -76.2 | 162.7 | 0 | 0 | 0 | 106.7 | W19 | W19-L21 PolarHBondContact O-N 2.91Š| ||
| 22 | Q | 58.6 | Low | 65.9 | Low | 142 Ų | 142 | 89.5 Ų | 89.5 | 66% | 0.664 | 50% | 0.496 | S | S | * | . | trans | -60.1 | 131.1 | 176.9 | -84.3 | -176.5 | -32.5 | 0 | 0 | 107.5 | L20 L24 | L20-Q22 PolarHBondContact O-N 2.84Å; Q22-L24 PolarHBondContact O-N 3.41Å | ||
| 23 | P | 76.9 | Confident | 68.3 | Low | 57 Ų | 57 | 84.2 Ų | 84.2 | 37% | 0.37 | 47% | 0.472 | S | S | . | . | trans | -58.2 | 138.6 | -179.2 | -28.5 | 39 | 0 | 0 | 0 | 111 | S25 V26 A27 P275 | P23-S25 PolarHBondContact O-N 3.17Å; P23-V26 HydrophobicContact CB-CG2 4.43Å; P23-V26 WeakPolarHBondContact O-CB 3.33Å; P23-V26 PolarHBondContact O-N 3.49Å; P23-A27 PolarHBondContact O-N 3.22Å; P23-A27 VanDerWaalsContact O-N 3.11Å; P23-P275 HydrophobicContact CB-CB 3.63Å; P23-P275 HydrophobicContact CB-CG 3Å; P23-P275 HydrophobicContact CG-CB 3.44Å; P23-P275 VanDerWaalsContact CG-CB 3.44Å; P23-P275 HydrophobicContact CG-CG 3.24Å | ||
| 24 | L | 77.2 | Confident | 70.5 | Confident | 113 Ų | 113 | 84.8 Ų | 84.8 | 59% | 0.592 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -54.8 | -36.7 | -170.6 | -172 | 65.9 | 0 | 0 | 0 | 112.1 | Q22 V26 A27 V28 F141 | Q22-L24 PolarHBondContact O-N 3.41Å; L24-V26 VanDerWaalsContact C-N 3.33Å; L24-V26 PolarHBondContact O-N 3.03Å; L24-A27 PolarHBondContact O-N 3.38Å; L24-V28 HydrophobicContact CD1-CG1 3.9Å; L24-V28 HydrophobicContact CG-CG1 4.38Å; L24-V28 VanDerWaalsContact O-CG2 3.3Å; L24-V28 WeakPolarHBondContact O-CG2 3.34Å; L24-V28 PolarHBondContact O-N 3.47Å; L24-F141 HydrophobicContact CD2-CD2 3.8Å; L24-F141 HydrophobicContact CD2-CE2 4.36Å; L24-F141 HydrophobicContact CG-CD2 3.92Å; L24-F141 HydrophobicContact CG-CE2 4.23Å |
| 25 | S | 78.8 | Confident | 72.1 | Confident | 4 Ų | 4 | 81.3 Ų | 81.3 | 3% | 0.028 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -58.4 | -40.8 | 176.4 | -54.5 | 0 | 0 | 0 | 0 | 113 | P23 C29 F141 | P23-S25 PolarHBondContact O-N 3.17Å; S25-C29 WeakPolarHBondContact O-CB 3.43Å; S25-C29 PolarHBondContact O-N 3.3Å; S25-C29 VanDerWaalsContact O-N 3.14Å; S25-F141 WeakPolarHBondContact OG-CZ 3.47Å |
| 26 | V | 82.9 | Confident | 73.2 | Confident | 36 Ų | 36 | 72 Ų | 72 | 22% | 0.218 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -71.7 | -42.5 | 176.5 | -179 | 0 | 0 | 0 | 0 | 110.5 | P23 L24 V28 P275 | P23-V26 HydrophobicContact CB-CG2 4.43Å; P23-V26 WeakPolarHBondContact O-CB 3.33Å; P23-V26 PolarHBondContact O-N 3.49Å; L24-V26 VanDerWaalsContact C-N 3.33Å; L24-V26 PolarHBondContact O-N 3.03Å; V26-V28 VanDerWaalsContact C-N 3.32Å; V26-V28 PolarHBondContact O-N 3.11Å; V26-P275 HydrophobicContact CG2-CB 3.83Å |
| 27 | A | 84.8 | Confident | 73.7 | Confident | 36 Ų | 36 | 68.1 Ų | 68.1 | 30% | 0.298 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.7 | -40.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112 | P23 L24 R235 | P23-A27 PolarHBondContact O-N 3.22Å; P23-A27 VanDerWaalsContact O-N 3.11Å; L24-A27 PolarHBondContact O-N 3.38Å; A27-R235 PolarHBondContact O-NH1 2.89Å; A27-R235 PolarHBondContact O-NH2 3.04Å |
| 28 | V | 91.4 | Very high | 73.9 | Confident | 26 Ų | 26 | 74.3 Ų | 74.3 | 16% | 0.158 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -105.2 | -1.4 | -172 | -48.7 | 0 | 0 | 0 | 0 | 114.9 | L24 V26 T31 F141 P147 | L24-V28 HydrophobicContact CD1-CG1 3.9Å; L24-V28 HydrophobicContact CG-CG1 4.38Å; L24-V28 VanDerWaalsContact O-CG2 3.3Å; L24-V28 WeakPolarHBondContact O-CG2 3.34Å; L24-V28 PolarHBondContact O-N 3.47Å; V26-V28 VanDerWaalsContact C-N 3.32Å; V26-V28 PolarHBondContact O-N 3.11Å; V28-T31 WeakPolarHBondContact O-CB 3.3Å; V28-T31 WeakPolarHBondContact O-CG2 3.35Å; V28-T31 PolarHBondContact O-N 3.39Å; V28-T31 PolarHBondContact O-OG1 3.07Å; V28-F141 HydrophobicContact CG2-CD2 3.71Å; V28-F141 HydrophobicContact CG2-CE2 4.01Å; V28-F141 HydrophobicContact CG2-CG 4.39Å; V28-P147 HydrophobicContact CG2-CG 4.25Å |
| 29 | C | 96 | Very high | 74 | Confident | 2 Ų | 2 | 72 Ų | 72 | 1% | 0.014 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 145.3 | -178.7 | 76.2 | 0 | 0 | 0 | 0 | 112.4 | S25 T31 P147 C149 R235 | S25-C29 WeakPolarHBondContact O-CB 3.43Å; S25-C29 PolarHBondContact O-N 3.3Å; S25-C29 VanDerWaalsContact O-N 3.14Å; C29-T31 PolarHBondContact O-N 3.14Å; C29-T31 VanDerWaalsContact O-N 3.08Å; C29-P147 CarbonylContact C-O 3.52Å; C29-P147 VanDerWaalsContact CA-O 3.24Å; C29-P147 WeakPolarHBondContact CA-O 3.3Å; C29-P147 HydrophobicContact CB-CG 4.35Å; C29-C149 HydrophobicContact CB-CB 4.03Å; C29-C149 WeakPolarHBondContact CB-SG 3.33Å; C29-C149 PolarHBondContact O-SG 3.41Å; C29-C149 VanDerWaalsContact SG-CA 3.57Å; C29-C149 WeakPolarHBondContact SG-CB 3.48Å; C29-C149 CovalentContact SG-SG 2.06Å; C29-C149 PolarHBondContact SG-SG 2.85Å; C29-R235 PolarHBondContact O-NH1 3.39Å |
| 30 | G | 95.8 | Very high | 73.5 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.01 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 17.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | P147 R235 W236 | G30-P147 PolarHBondContact N-O 3.26Å; G30-R235 WeakPolarHBondContact O-CA 3.44Å; G30-W236 VanDerWaalsContact CA-O 3.26Å; G30-W236 WeakPolarHBondContact CA-O 3.36Å; G30-W236 PolarHBondContact O-N 2.89Å |
| 31 | T | 95.4 | Very high | 72.8 | Confident | 37 Ų | 37 | 68.3 Ų | 68.3 | 23% | 0.227 | 38% | 0.376 | C | S | . | . | trans | -98.5 | 131.7 | 173 | 65 | 0 | 0 | 0 | 0 | 109.7 | V28 C29 R146 | V28-T31 WeakPolarHBondContact O-CB 3.3Å; V28-T31 WeakPolarHBondContact O-CG2 3.35Å; V28-T31 PolarHBondContact O-N 3.39Å; V28-T31 PolarHBondContact O-OG1 3.07Å; C29-T31 PolarHBondContact O-N 3.14Å; C29-T31 VanDerWaalsContact O-N 3.08Å; T31-R146 WeakPolarHBondContact OG1-CD 3.07Å; T31-R146 PolarHBondContact OG1-NH1 3.02Å | ||
| 32 | A | 93.3 | Very high | 72 | Confident | 20 Ų | 20 | 64.7 Ų | 64.7 | 17% | 0.165 | 36% | 0.357 | C | S | . | . | trans | -119.5 | 90.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | L34 G35 A52 P54 W55 | A32-L34 VanDerWaalsContact C-N 3.27Å; A32-L34 PolarHBondContact O-N 2.88Å; A32-G35 PolarHBondContact O-N 2.88Å; A32-G35 VanDerWaalsContact O-N 3.09Å; A32-A52 WeakPolarHBondContact CB-O 3.46Å; A32-P54 HydrophobicContact CB-CG 4.44Å; A32-W55 HydrophobicContact CB-CH2 4.22Å; A32-W55 HydrophobicContact CB-CZ3 4.36Å | ||
| 33 | P | 89.4 | Confident | 71 | Confident | 58 Ų | 58 | 63.4 Ų | 63.4 | 38% | 0.377 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -32.6 | -169.6 | -23.7 | 34.1 | 0 | 0 | 0 | 114.1 | G35 D143 R146 | P33-G35 PolarHBondContact O-N 2.77Å; P33-D143 HydrophobicContact CB-CB 4.33Å; P33-D143 HydrophobicContact CG-CB 4.37Å; P33-R146 VanDerWaalsContact CG-NE 3.34Å; P33-R146 VanDerWaalsContact CG-NH2 3.31Å |
| 34 | L | 87.2 | Confident | 70 | Confident | 82 Ų | 82 | 62.8 Ų | 62.8 | 43% | 0.429 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 1.6 | -178.5 | -57.7 | 176.8 | 0 | 0 | 0 | 112.7 | A32 D143 Y144 | A32-L34 VanDerWaalsContact C-N 3.27Å; A32-L34 PolarHBondContact O-N 2.88Å; L34-D143 HydrophobicContact CD1-CB 4.16Å; L34-D143 HydrophobicContact CD2-CB 4.39Å; L34-D143 HydrophobicContact CG-CB 4.13Å; L34-Y144 HydrophobicContact CD1-CD1 4.03Å; L34-Y144 HydrophobicContact CD1-CD2 4.33Å; L34-Y144 HydrophobicContact CD1-CE1 3.47Å; L34-Y144 VanDerWaalsContact CD1-CE1 3.47Å; L34-Y144 HydrophobicContact CD1-CE2 3.81Å; L34-Y144 HydrophobicContact CD1-CG 4.42Å |
| 35 | G | 74.3 | Confident | 69.6 | Low | 33 Ų | 33 | 58.2 Ų | 58.2 | 34% | 0.34 | 34% | 0.342 | S | S | . | . | trans | 80.3 | 147.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A32 P33 A52 | A32-G35 PolarHBondContact O-N 2.88Å; A32-G35 VanDerWaalsContact O-N 3.09Å; P33-G35 PolarHBondContact O-N 2.77Å; G35-A52 WeakPolarHBondContact O-CA 3.4Å; G35-A52 WeakPolarHBondContact O-CB 3.29Å | ||
| 36 | S | 65.6 | Low | 69.9 | Low | 15 Ų | 15 | 59.8 Ų | 59.8 | 11% | 0.105 | 35% | 0.349 | C | S | . | . | trans | -93.7 | 151 | 162.6 | 66.5 | 0 | 0 | 0 | 0 | 108.6 | R38 W236 | S36-R38 VanDerWaalsContact C-N 3.33Å; S36-R38 PolarHBondContact O-N 3.3Å; S36-W236 WeakPolarHBondContact OG-CZ2 3.23Å | ||
| 37 | S | 56.9 | Low | 70.2 | Confident | 24 Ų | 24 | 62.5 Ų | 62.5 | 17% | 0.168 | 36% | 0.362 | C | S | . | . | trans | -62.2 | 84.5 | -177.5 | -27.2 | 0 | 0 | 0 | 0 | 112.1 | G39 P49 E185 | S37-G39 PolarHBondContact O-N 2.91Å; S37-P49 WeakPolarHBondContact OG-CD 3.29Å; S37-P49 VanDerWaalsContact OG-CG 3.3Å; S37-P49 WeakPolarHBondContact OG-CG 3Å; S37-E185 WeakPolarHBondContact CB-OE1 3.34Å; S37-E185 VanDerWaalsContact OG-CD 3.3Å; S37-E185 PolarHBondContact OG-OE1 3.29Å; S37-E185 PolarHBondContact OG-OE2 2.96Å | ||
| 38 | R | 53.4 | Low | 70.5 | Confident | 215 Ų | 215 | 60.9 Ų | 60.9 | 81% | 0.811 | 35% | 0.349 | S | S | * | . | trans | -82.2 | 43.7 | 173.1 | -63.3 | -167.9 | -160.1 | -175.3 | 5.5 | 111.8 | S36 | S36-R38 VanDerWaalsContact C-N 3.33Å; S36-R38 PolarHBondContact O-N 3.3Å | ||
| 39 | G | 43.7 | Very low | 70.6 | Confident | 66 Ų | 66 | 62.5 Ų | 62.5 | 68% | 0.68 | 36% | 0.36 | S | S | * | . | S | Bend | trans | 178.5 | 66.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | S37 | S37-G39 PolarHBondContact O-N 2.91Š|
| 40 | S | 36.3 | Very low | 70.5 | Confident | 71 Ų | 71 | 64.4 Ų | 64.4 | 50% | 0.497 | 38% | 0.376 | S | S | . | . | trans | -177.4 | 123.1 | 139.4 | -170.8 | 0 | 0 | 0 | 0 | 108.1 | I42 Q46 | S40-I42 PolarHBondContact O-N 3.43Å; S40-I42 WeakPolarHBondContact OG-CG1 3.35Å; S40-Q46 PolarHBondContact O-OE1 3.15Å | ||
| 41 | R | 37.3 | Very low | 70.4 | Confident | 228 Ų | 228 | 65 Ų | 65 | 86% | 0.86 | 38% | 0.382 | S | S | * | . | trans | -80.9 | 95.9 | 173.4 | -81.3 | -178.4 | 177.2 | -179.2 | -0.5 | 108 | ||||
| 42 | I | 36.9 | Very low | 70.4 | Confident | 93 Ų | 93 | 63.3 Ų | 63.3 | 48% | 0.477 | 37% | 0.372 | S | S | . | . | trans | -110.7 | 136.1 | 169.5 | -54.6 | -161.3 | 0 | 0 | 0 | 109.5 | S40 R217 | S40-I42 PolarHBondContact O-N 3.43Å; S40-I42 WeakPolarHBondContact OG-CG1 3.35Å; I42-R217 PolarHBondContact O-NH2 3.13Å | ||
| 43 | V | 38.5 | Very low | 70.6 | Confident | 115 Ų | 115 | 62.7 Ų | 62.7 | 70% | 0.697 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | 133.9 | -178.9 | -179.4 | 0 | 0 | 0 | 0 | 108.4 | ||
| 44 | G | 55.3 | Low | 71 | Confident | 44 Ų | 44 | 60 Ų | 60 | 45% | 0.454 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101.7 | 7.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 45 | G | 68.9 | Low | 71.5 | Confident | 17 Ų | 17 | 56.2 Ų | 56.2 | 18% | 0.175 | 33% | 0.328 | C | S | . | . | trans | 82.5 | 166.9 | -170 | 0 | 0 | 0 | 0 | 0 | 111.7 | E185 | G45-E185 WeakPolarHBondContact CA-O 3.05Š| ||
| 46 | Q | 83.7 | Confident | 72.7 | Confident | 36 Ų | 36 | 54.9 Ų | 54.9 | 17% | 0.168 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 159.8 | 175.6 | 67.2 | -173.8 | 11.8 | 0 | 0 | 110.7 | S40 A48 Q184 E185 | S40-Q46 PolarHBondContact O-OE1 3.15Å; Q46-A48 PolarHBondContact O-N 3.41Å; Q46-Q184 VanDerWaalsContact C-OE1 3.28Å; Q46-Q184 CarbonylContact O-C 3.53Å; Q46-Q184 WeakPolarHBondContact O-CA 3.35Å; Q46-Q184 PolarHBondContact O-OE1 2.81Å; Q46-E185 HydrophobicContact CG-CG 3.75Å; Q46-E185 PolarHBondContact N-O 2.74Å; Q46-E185 PolarHBondContact NE2-OE1 2.91Å; Q46-E185 PolarHBondContact O-N 3.09Å |
| 47 | D | 89.8 | Confident | 74.3 | Confident | 93 Ų | 93 | 54.2 Ų | 54.2 | 50% | 0.497 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 120.9 | 169.6 | -80.2 | 17.5 | 0 | 0 | 0 | 109.8 | T182 Q184 | D47-T182 HydrophobicContact CB-CG2 3.9Å; D47-T182 WeakPolarHBondContact OD2-CB 3.32Å; D47-T182 PolarHBondContact OD2-OG1 3.46Å; D47-T182 VanDerWaalsContact OD2-OG1 3.09Å; D47-Q184 PolarHBondContact OD1-NE2 3.22Å |
| 48 | A | 91.5 | Very high | 76.2 | Confident | 2 Ų | 2 | 53 Ų | 53 | 2% | 0.017 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 136.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q46 H98 L183 E185 | Q46-A48 PolarHBondContact O-N 3.41Å; A48-H98 PolarHBondContact O-NE2 3.44Å; A48-L183 HydrophobicContact CB-CB 4.25Å; A48-L183 HydrophobicContact CB-CD2 4.12Å; A48-L183 HydrophobicContact CB-CG 3.98Å; A48-L183 WeakPolarHBondContact CB-O 3.19Å; A48-L183 PolarHBondContact N-O 2.92Å; A48-E185 HydrophobicContact CB-CB 4.11Å; A48-E185 HydrophobicContact CB-CG 3.98Å |
| 49 | P | 93.2 | Very high | 78.3 | Confident | 61 Ų | 61 | 42.8 Ų | 42.8 | 40% | 0.396 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 145.2 | 169 | -21.9 | 32.3 | 0 | 0 | 0 | 111.2 | S37 G51 A52 | S37-P49 WeakPolarHBondContact OG-CD 3.29Å; S37-P49 VanDerWaalsContact OG-CG 3.3Å; S37-P49 WeakPolarHBondContact OG-CG 3Å; P49-G51 PolarHBondContact O-N 3.41Å; P49-A52 HydrophobicContact CB-CB 4.18Å; P49-A52 HydrophobicContact CG-CB 4.38Å; P49-A52 VanDerWaalsContact O-CB 3.25Å; P49-A52 WeakPolarHBondContact O-CB 3.38Å; P49-A52 PolarHBondContact O-N 3.44Å |
| 50 | A | 93.9 | Very high | 80.8 | Confident | 42 Ų | 42 | 40.5 Ų | 40.5 | 35% | 0.347 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | 123.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | A52 Y144 | A50-A52 VanDerWaalsContact C-N 3.33Å; A50-Y144 HydrophobicContact CB-CE1 4.25Å |
| 51 | G | 94.3 | Very high | 83.4 | Confident | 14 Ų | 14 | 40.1 Ų | 40.1 | 14% | 0.144 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 4.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | P49 W53 | P49-G51 PolarHBondContact O-N 3.41Å; G51-W53 PolarHBondContact O-N 3.02Å |
| 52 | A | 94.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -61.6 | -30.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A32 G35 P49 A50 P54 | A32-A52 WeakPolarHBondContact CB-O 3.46Å; G35-A52 WeakPolarHBondContact O-CA 3.4Å; G35-A52 WeakPolarHBondContact O-CB 3.29Å; P49-A52 HydrophobicContact CB-CB 4.18Å; P49-A52 HydrophobicContact CG-CB 4.38Å; P49-A52 VanDerWaalsContact O-CB 3.25Å; P49-A52 WeakPolarHBondContact O-CB 3.38Å; P49-A52 PolarHBondContact O-N 3.44Å; A50-A52 VanDerWaalsContact C-N 3.33Å; A52-P54 WeakPolarHBondContact O-CD 3.41Å |
| 53 | W | 97.4 | Very high | 88.4 | Confident | 7 Ų | 7 | 33 Ų | 33 | 3% | 0.027 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -126.2 | 70.6 | -177.8 | -52.5 | 105.2 | 0 | 0 | 0 | 110.5 | G51 W55 Q56 W164 T166 L183 E185 V229 W236 | G51-W53 PolarHBondContact O-N 3.02Å; W53-W55 AromaticContact CE3-CE2 3.94Å; W53-W55 HydrophobicContact CE3-CH2 4.28Å; W53-W55 AromaticContact CE3-CZ2 3.42Å; W53-W55 HydrophobicContact CE3-CZ2 3.42Å; W53-W55 VanDerWaalsContact CE3-CZ2 3.42Å; W53-W55 AromaticContact CZ3-CZ2 3.82Å; W53-W55 HydrophobicContact CZ3-CZ2 3.82Å; W53-W55 PolarHBondContact O-N 3.47Å; W53-Q56 HydrophobicContact CB-CB 4.26Å; W53-Q56 VanDerWaalsContact O-CB 3.3Å; W53-Q56 WeakPolarHBondContact O-CB 3.17Å; W53-Q56 PolarHBondContact O-N 3.26Å; W53-W164 HydrophobicContact CH2-CB 3.52Å; W53-W164 AromaticContact CH2-CD2 3.87Å; W53-W164 HydrophobicContact CH2-CD2 3.87Å; W53-W164 HydrophobicContact CH2-CE3 4.15Å; W53-W164 AromaticContact CH2-CG 3.6Å; W53-W164 HydrophobicContact CH2-CG 3.6Å; W53-W164 HydrophobicContact CZ2-CB 4.06Å; W53-W164 AromaticContact CZ2-CD2 3.89Å; W53-W164 HydrophobicContact CZ2-CD2 3.89Å; W53-W164 AromaticContact CZ2-CE3 3.68Å; W53-W164 HydrophobicContact CZ2-CE3 3.68Å; W53-W164 HydrophobicContact CZ2-CG 4.08Å; W53-W164 HydrophobicContact CZ2-CZ3 4.41Å; W53-W164 HydrophobicContact CZ3-CB 4.2Å; W53-T166 HydrophobicContact CB-CG2 4.34Å; W53-T166 VanDerWaalsContact CD1-CG2 3.49Å; W53-T166 HydrophobicContact CD2-CG2 3.58Å; W53-T166 HydrophobicContact CE3-CG2 4.3Å; W53-T166 HydrophobicContact CG-CG2 3.55Å; W53-T166 HydrophobicContact CZ2-CG2 4.26Å; W53-L183 HydrophobicContact CB-CD2 4.43Å; W53-E185 HydrophobicContact CZ2-CB 4.37Å; W53-E185 PolarHBondContact NE1-OE2 3.41Å; W53-V229 HydrophobicContact CE3-CG2 4.2Å; W53-V229 HydrophobicContact CH2-CG2 4.33Å; W53-V229 HydrophobicContact CZ3-CG2 3.58Å; W53-W236 HydrophobicContact CH2-CE3 4.42Å; W53-W236 AromaticContact CH2-CH2 3.76Å; W53-W236 HydrophobicContact CH2-CH2 3.76Å; W53-W236 HydrophobicContact CH2-CZ2 4Å; W53-W236 AromaticContact CH2-CZ3 3.98Å; W53-W236 HydrophobicContact CH2-CZ3 3.98Å; W53-W236 HydrophobicContact CZ3-CD2 4.02Å; W53-W236 HydrophobicContact CZ3-CE3 4Å; W53-W236 HydrophobicContact CZ3-CH2 4.11Å; W53-W236 HydrophobicContact CZ3-CZ2 4.15Å; W53-W236 HydrophobicContact CZ3-CZ3 4.03Å |
| 54 | P | 97.8 | Very high | 91 | Very high | 3 Ų | 3 | 29.1 Ų | 29.1 | 2% | 0.019 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -7.8 | -168.5 | 30.4 | -37.7 | 0 | 0 | 0 | 114.1 | A32 A52 Y144 I145 R146 | A32-P54 HydrophobicContact CB-CG 4.44Å; A52-P54 WeakPolarHBondContact O-CD 3.41Å; P54-Y144 VanDerWaalsContact CA-O 3.31Å; P54-Y144 WeakPolarHBondContact CA-O 3.26Å; P54-Y144 WeakPolarHBondContact CB-O 3.26Å; P54-I145 WeakPolarHBondContact O-CA 3.13Å; P54-R146 CarbonylContact C-O 3.59Å; P54-R146 HydrophobicContact CB-CB 4.02Å; P54-R146 HydrophobicContact CB-CG 4.31Å; P54-R146 HydrophobicContact CG-CB 3.95Å; P54-R146 HydrophobicContact CG-CG 4.4Å; P54-R146 PolarHBondContact O-N 3.17Å |
| 55 | W | 98.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -12.1 | 172.1 | 45.8 | 81.6 | 0 | 0 | 0 | 113.6 | A32 W53 V57 S69 L70 R146 V148 V229 W236 | A32-W55 HydrophobicContact CB-CH2 4.22Å; A32-W55 HydrophobicContact CB-CZ3 4.36Å; W53-W55 AromaticContact CE3-CE2 3.94Å; W53-W55 HydrophobicContact CE3-CH2 4.28Å; W53-W55 AromaticContact CE3-CZ2 3.42Å; W53-W55 HydrophobicContact CE3-CZ2 3.42Å; W53-W55 VanDerWaalsContact CE3-CZ2 3.42Å; W53-W55 AromaticContact CZ3-CZ2 3.82Å; W53-W55 HydrophobicContact CZ3-CZ2 3.82Å; W53-W55 PolarHBondContact O-N 3.47Å; W55-V57 PolarHBondContact O-N 3.15Å; W55-S69 CarbonylContact O-C 3.56Å; W55-S69 VanDerWaalsContact O-CA 3.27Å; W55-S69 WeakPolarHBondContact O-CA 3.1Å; W55-L70 HydrophobicContact CB-CB 4.45Å; W55-L70 PolarHBondContact O-N 2.83Å; W55-R146 WeakPolarHBondContact CA-O 3.35Å; W55-R146 VanDerWaalsContact CB-O 3.25Å; W55-R146 WeakPolarHBondContact CB-O 3.41Å; W55-R146 PolarHBondContact N-O 3.33Å; W55-V148 HydrophobicContact CB-CB 3.81Å; W55-V148 HydrophobicContact CB-CG1 4.4Å; W55-V148 HydrophobicContact CD2-CB 3.7Å; W55-V148 HydrophobicContact CD2-CG2 3.88Å; W55-V148 HydrophobicContact CE3-CB 4.1Å; W55-V148 HydrophobicContact CE3-CG2 4.3Å; W55-V148 HydrophobicContact CG-CB 3.58Å; W55-V148 HydrophobicContact CG-CG1 4.42Å; W55-V148 HydrophobicContact CG-CG2 4.12Å; W55-V148 HydrophobicContact CZ2-CG2 4.36Å; W55-V229 HydrophobicContact CZ2-CG1 4.48Å; W55-V229 HydrophobicContact CZ2-CG2 4.37Å; W55-W236 HydrophobicContact CH2-CB 3.38Å; W55-W236 AromaticContact CH2-CD1 3.4Å; W55-W236 VanDerWaalsContact CH2-CD1 3.4Å; W55-W236 HydrophobicContact CH2-CD2 4.35Å; W55-W236 AromaticContact CH2-CG 3.42Å; W55-W236 HydrophobicContact CH2-CG 3.42Å; W55-W236 VanDerWaalsContact CH2-CG 3.42Å; W55-W236 HydrophobicContact CZ2-CB 3.6Å; W55-W236 HydrophobicContact CZ2-CD2 4.37Å; W55-W236 AromaticContact CZ2-CG 3.76Å; W55-W236 HydrophobicContact CZ2-CG 3.76Å; W55-W236 HydrophobicContact CZ3-CB 4.22Å; W55-W236 HydrophobicContact CZ3-CG 4.49Å |
| 56 | Q | 98.6 | Very high | 94 | Very high | 6 Ų | 6 | 28.6 Ų | 28.6 | 3% | 0.028 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 130.2 | -178.1 | 179.9 | 66 | 54.5 | 0 | 0 | 110.3 | W53 G68 T166 W168 L183 | W53-Q56 HydrophobicContact CB-CB 4.26Å; W53-Q56 VanDerWaalsContact O-CB 3.3Å; W53-Q56 WeakPolarHBondContact O-CB 3.17Å; W53-Q56 PolarHBondContact O-N 3.26Å; Q56-G68 PolarHBondContact NE2-O 2.89Å; Q56-T166 PolarHBondContact OE1-O 3.39Å; Q56-T166 PolarHBondContact OE1-OG1 3.14Å; Q56-W168 HydrophobicContact CG-CE3 4.47Å; Q56-W168 HydrophobicContact CG-CH2 3.49Å; Q56-W168 VanDerWaalsContact CG-CH2 3.49Å; Q56-W168 HydrophobicContact CG-CZ3 3.46Å; Q56-W168 VanDerWaalsContact CG-CZ3 3.46Å; Q56-L183 HydrophobicContact CB-CD2 4.27Å; Q56-L183 HydrophobicContact CG-CD1 3.85Å; Q56-L183 HydrophobicContact CG-CD2 4.06Å |
| 57 | V | 98.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 141.7 | 176.1 | 167.1 | 0 | 0 | 0 | 0 | 109.9 | W55 L59 G67 G68 L70 V76 V93 Y94 L95 | W55-V57 PolarHBondContact O-N 3.15Å; V57-L59 HydrophobicContact CG1-CD2 3.64Å; V57-L59 HydrophobicContact CG1-CG 4.18Å; V57-G67 WeakPolarHBondContact O-CA 3.26Å; V57-G68 PolarHBondContact N-O 3.08Å; V57-G68 PolarHBondContact O-N 3.26Å; V57-G68 VanDerWaalsContact O-N 3.11Å; V57-L70 HydrophobicContact CG2-CB 4.44Å; V57-V76 HydrophobicContact CB-CG1 4.26Å; V57-V76 HydrophobicContact CG1-CG1 4.1Å; V57-V76 HydrophobicContact CG2-CG1 4.1Å; V57-V76 HydrophobicContact CG2-CG2 3.98Å; V57-V93 HydrophobicContact CG1-CG1 3.57Å; V57-V93 HydrophobicContact CG2-CG1 4.41Å; V57-Y94 WeakPolarHBondContact CA-O 3.39Å; V57-L95 HydrophobicContact CG2-CD2 4.19Å; V57-L95 HydrophobicContact CG2-CG 4.29Å |
| 58 | S | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 120.6 | 167.4 | -171.3 | 0 | 0 | 0 | 0 | 109.4 | H60 H64 Y94 Q100 | S58-H60 PolarHBondContact OG-CD2 2.85Å; S58-H60 PolarHBondContact OG-NE2 3.4Å; S58-H64 PolarHBondContact OG-ND1 2.74Å; S58-Y94 PolarHBondContact N-O 3.23Å; S58-Y94 PolarHBondContact O-N 2.96Å; S58-Q100 PolarHBondContact OG-NE2 2.85Å; S58-Q100 VanDerWaalsContact OG-NE2 3.09Å |
| 59 | L | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 128.2 | 177.6 | -57.5 | 178.2 | 0 | 0 | 0 | 110.2 | V57 H64 F65 C66 G67 F83 L91 V93 L133 | V57-L59 HydrophobicContact CG1-CD2 3.64Å; V57-L59 HydrophobicContact CG1-CG 4.18Å; L59-H64 WeakPolarHBondContact O-CA 3.24Å; L59-F65 HydrophobicContact CB-CD1 4.39Å; L59-F65 HydrophobicContact CB-CE1 3.74Å; L59-F65 HydrophobicContact CB-CE2 4.43Å; L59-F65 HydrophobicContact CB-CZ 3.76Å; L59-F65 HydrophobicContact CD1-CZ 4.45Å; L59-F65 WeakPolarHBondContact O-CD1 3.47Å; L59-F65 PolarHBondContact O-N 3.4Å; L59-C66 HydrophobicContact CB-CB 4.39Å; L59-C66 VanDerWaalsContact CB-O 3.3Å; L59-C66 WeakPolarHBondContact CB-O 3.49Å; L59-C66 HydrophobicContact CD1-CB 4.02Å; L59-C66 PolarHBondContact N-O 2.97Å; L59-G67 WeakPolarHBondContact CD1-O 3.47Å; L59-F83 HydrophobicContact CD1-CE1 4.17Å; L59-F83 HydrophobicContact CD1-CZ 3.63Å; L59-L91 HydrophobicContact CB-CD1 4.33Å; L59-V93 HydrophobicContact CD2-CG2 3.8Å; L59-L133 HydrophobicContact CD1-CD2 4.24Å; L59-L133 HydrophobicContact CD2-CD2 3.71Å |
| 60 | H | 95.1 | Very high | 95.7 | Very high | 18 Ų | 18 | 19.5 Ų | 19.5 | 8% | 0.083 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 139.5 | -175.8 | -72.2 | -129.7 | 0 | 0 | 0 | 112.3 | S58 S63 H64 L91 I92 Y94 Q100 | S58-H60 PolarHBondContact OG-CD2 2.85Å; S58-H60 PolarHBondContact OG-NE2 3.4Å; H60-S63 VanDerWaalsContact CA-O 3.26Å; H60-S63 WeakPolarHBondContact CA-O 3.16Å; H60-H64 PolarHBondContact ND1-N 3.3Å; H60-L91 WeakPolarHBondContact O-CA 3.49Å; H60-I92 PolarHBondContact N-O 3.38Å; H60-I92 PolarHBondContact O-N 3Å; H60-Y94 HydrophobicContact CB-CD2 4.17Å; H60-Y94 HydrophobicContact CB-CE2 3.77Å; H60-Y94 AromaticContact CD2-CD2 3.36Å; H60-Y94 WeakPolarHBondContact CD2-CD2 3.5Å; H60-Y94 AromaticContact CD2-CE2 3.69Å; H60-Y94 AromaticContact CG-CD2 3.7Å; H60-Y94 AromaticContact CG-CE2 3.5Å; H60-Y94 AromaticContact ND1-CE2 3.77Å; H60-Y94 AromaticContact NE2-CD2 3.69Å; H60-Q100 PolarHBondContact CE1-OE1 3.37Å; H60-Q100 PolarHBondContact NE2-OE1 3.39Å |
| 61 | Q | 90.9 | Very high | 95.9 | Very high | 63 Ų | 63 | 17.6 Ų | 17.6 | 29% | 0.294 | 12% | 0.119 | S | C | . | . | S | Bend | trans | -135.1 | 89.9 | 161 | -171.3 | -177.6 | 58.3 | 0 | 0 | 106.7 | S63 F65 F86 V87 N90 | Q61-S63 PolarHBondContact N-O 3.47Å; Q61-S63 PolarHBondContact O-N 3.28Å; Q61-F65 HydrophobicContact CB-CD1 4.2Å; Q61-F65 HydrophobicContact CB-CE1 4.15Å; Q61-F86 HydrophobicContact CB-CD1 4.49Å; Q61-F86 HydrophobicContact CB-CE1 4.44Å; Q61-F86 VanDerWaalsContact OE1-CD1 3.23Å; Q61-V87 PolarHBondContact NE2-O 2.86Å; Q61-N90 HydrophobicContact CG-CB 3.92Å |
| 62 | G | 89.9 | Confident | 96 | Very high | 91 Ų | 91 | 16.9 Ų | 16.9 | 94% | 0.938 | 11% | 0.112 | S | C | * | . | S | Bend | trans | 75.8 | -51.1 | -166.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 63 | S | 90.9 | Very high | 96 | Very high | 79 Ų | 79 | 19.6 Ų | 19.6 | 55% | 0.552 | 13% | 0.125 | S | C | * | . | S | Bend | trans | -133.3 | 167.3 | 173.5 | 61.9 | 0 | 0 | 0 | 0 | 111.4 | H60 Q61 F65 | H60-S63 VanDerWaalsContact CA-O 3.26Å; H60-S63 WeakPolarHBondContact CA-O 3.16Å; Q61-S63 PolarHBondContact N-O 3.47Å; Q61-S63 PolarHBondContact O-N 3.28Å; S63-F65 PolarHBondContact O-N 2.8Å |
| 64 | H | 93 | Very high | 95.9 | Very high | 35 Ų | 35 | 21.4 Ų | 21.4 | 16% | 0.162 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 133.5 | 169.8 | 174.8 | 73.6 | 0 | 0 | 0 | 110.1 | S58 L59 H60 C66 G222 | S58-H64 PolarHBondContact OG-ND1 2.74Å; L59-H64 WeakPolarHBondContact O-CA 3.24Å; H60-H64 PolarHBondContact ND1-N 3.3Å; H64-C66 PolarHBondContact CE1-O 3.34Å; H64-C66 PolarHBondContact ND1-O 3.22Å; H64-G222 PolarHBondContact NE2-O 2.71Å |
| 65 | F | 91.9 | Very high | 95.9 | Very high | 43 Ų | 43 | 21.4 Ų | 21.4 | 19% | 0.189 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | -27.4 | 178.2 | 73.1 | -90.4 | 0 | 0 | 0 | 113.9 | L59 Q61 S63 C82 F83 F86 L91 | L59-F65 HydrophobicContact CB-CD1 4.39Å; L59-F65 HydrophobicContact CB-CE1 3.74Å; L59-F65 HydrophobicContact CB-CE2 4.43Å; L59-F65 HydrophobicContact CB-CZ 3.76Å; L59-F65 HydrophobicContact CD1-CZ 4.45Å; L59-F65 WeakPolarHBondContact O-CD1 3.47Å; L59-F65 PolarHBondContact O-N 3.4Å; Q61-F65 HydrophobicContact CB-CD1 4.2Å; Q61-F65 HydrophobicContact CB-CE1 4.15Å; S63-F65 PolarHBondContact O-N 2.8Å; F65-C82 HydrophobicContact CE2-CB 4.13Å; F65-C82 WeakPolarHBondContact CE2-O 3.24Å; F65-F83 HydrophobicContact CE2-CE1 4.46Å; F65-F83 HydrophobicContact CZ-CE1 4.2Å; F65-F86 HydrophobicContact CD1-CE1 4.3Å; F65-F86 AromaticContact CD2-CE1 3.86Å; F65-F86 HydrophobicContact CD2-CE1 3.86Å; F65-F86 AromaticContact CD2-CZ 3.67Å; F65-F86 HydrophobicContact CD2-CZ 3.67Å; F65-F86 HydrophobicContact CE1-CE1 4.23Å; F65-F86 HydrophobicContact CE2-CD1 4.37Å; F65-F86 AromaticContact CE2-CE1 3.78Å; F65-F86 HydrophobicContact CE2-CE1 3.78Å; F65-F86 HydrophobicContact CE2-CE2 4.38Å; F65-F86 AromaticContact CE2-CZ 3.77Å; F65-F86 HydrophobicContact CE2-CZ 3.77Å; F65-F86 HydrophobicContact CG-CE1 4.13Å; F65-F86 HydrophobicContact CG-CZ 4.26Å; F65-F86 HydrophobicContact CZ-CD1 4.26Å; F65-F86 AromaticContact CZ-CE1 3.98Å; F65-F86 HydrophobicContact CZ-CE1 3.98Å; F65-F86 HydrophobicContact CZ-CZ 4.42Å; F65-L91 HydrophobicContact CE1-CD1 3.57Å; F65-L91 HydrophobicContact CZ-CD1 3.63Å |
| 66 | C | 95.4 | Very high | 95.9 | Very high | 6 Ų | 6 | 21.3 Ų | 21.3 | 4% | 0.041 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 160.2 | 176.1 | -82.8 | 0 | 0 | 0 | 0 | 110.8 | L59 H64 C82 S224 | L59-C66 HydrophobicContact CB-CB 4.39Å; L59-C66 VanDerWaalsContact CB-O 3.3Å; L59-C66 WeakPolarHBondContact CB-O 3.49Å; L59-C66 HydrophobicContact CD1-CB 4.02Å; L59-C66 PolarHBondContact N-O 2.97Å; H64-C66 PolarHBondContact CE1-O 3.34Å; H64-C66 PolarHBondContact ND1-O 3.22Å; C66-C82 HydrophobicContact CB-CB 3.88Å; C66-C82 WeakPolarHBondContact CB-SG 3.29Å; C66-C82 WeakPolarHBondContact SG-CB 3.26Å; C66-C82 CovalentContact SG-SG 2.05Å; C66-C82 PolarHBondContact SG-SG 3.3Å; C66-S224 CarbonylContact C-O 3.52Å; C66-S224 WeakPolarHBondContact CA-O 3.46Å; C66-S224 VanDerWaalsContact CB-O 3.25Å; C66-S224 WeakPolarHBondContact CB-O 2.98Å |
| 67 | G | 97.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 178.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | V57 L59 S78 S224 G225 | V57-G67 WeakPolarHBondContact O-CA 3.26Å; L59-G67 WeakPolarHBondContact CD1-O 3.47Å; G67-S78 PolarHBondContact O-OG 3.14Å; G67-S224 PolarHBondContact N-O 2.68Å; G67-G225 CarbonylContact O-C 3.58Å |
| 68 | G | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.6 | -177.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q56 V57 L77 G225 | Q56-G68 PolarHBondContact NE2-O 2.89Å; V57-G68 PolarHBondContact N-O 3.08Å; V57-G68 PolarHBondContact O-N 3.26Å; V57-G68 VanDerWaalsContact O-N 3.11Å; G68-L77 CarbonylContact C-O 3.56Å; G68-L77 VanDerWaalsContact CA-O 3.31Å; G68-L77 WeakPolarHBondContact CA-O 3.48Å; G68-G225 WeakPolarHBondContact CA-O 3.47Å |
| 69 | S | 98.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 129.9 | 178 | 43.9 | 0 | 0 | 0 | 0 | 110.8 | W55 I71 V76 L77 Q238 | W55-S69 CarbonylContact O-C 3.56Å; W55-S69 VanDerWaalsContact O-CA 3.27Å; W55-S69 WeakPolarHBondContact O-CA 3.1Å; S69-I71 PolarHBondContact O-N 2.99Å; S69-V76 CarbonylContact O-C 3.42Å; S69-V76 VanDerWaalsContact O-CA 3.24Å; S69-V76 WeakPolarHBondContact O-CA 3.4Å; S69-L77 PolarHBondContact N-O 3.07Å; S69-L77 PolarHBondContact O-N 2.93Å; S69-L77 PolarHBondContact OG-O 2.06Å; S69-L77 VanDerWaalsContact OG-O 3.12Å; S69-Q238 PolarHBondContact OG-NE2 3.07Å; S69-Q238 VanDerWaalsContact OG-NE2 3.11Å; S69-Q238 PolarHBondContact OG-OE1 3.48Å |
| 70 | L | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 125.9 | 171 | -170.6 | 67 | 0 | 0 | 0 | 109 | W55 V57 S72 V76 L95 L135 V139 F141 I145 P147 V148 | W55-L70 HydrophobicContact CB-CB 4.45Å; W55-L70 PolarHBondContact O-N 2.83Å; V57-L70 HydrophobicContact CG2-CB 4.44Å; L70-S72 WeakPolarHBondContact CD1-O 3.39Å; L70-S72 WeakPolarHBondContact CG-O 3.26Å; L70-V76 HydrophobicContact CD1-CG2 4.12Å; L70-L95 HydrophobicContact CB-CD2 4.28Å; L70-L95 HydrophobicContact CD1-CD2 3.67Å; L70-L95 HydrophobicContact CD2-CD2 3.85Å; L70-L95 HydrophobicContact CG-CD2 4.15Å; L70-L135 HydrophobicContact CD1-CD1 4.38Å; L70-V139 HydrophobicContact CD1-CG2 4.13Å; L70-V139 HydrophobicContact CD2-CG2 3.79Å; L70-F141 HydrophobicContact CD2-CE1 4.17Å; L70-I145 HydrophobicContact CD2-CG2 3.72Å; L70-P147 CarbonylContact O-C 3.43Å; L70-P147 WeakPolarHBondContact O-CA 3.32Å; L70-V148 PolarHBondContact O-N 3.3Å |
| 71 | I | 98 | Very high | 95.9 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | trans | -116.6 | -17.2 | -178.4 | 61.6 | 165.4 | 0 | 0 | 0 | 113 | S69 W75 L77 L132 V148 L150 I267 L271 L276 | S69-I71 PolarHBondContact O-N 2.99Å; I71-W75 HydrophobicContact CD1-CB 4.12Å; I71-W75 HydrophobicContact CG1-CB 3.78Å; I71-W75 VanDerWaalsContact CG1-O 3.29Å; I71-W75 WeakPolarHBondContact CG1-O 3.46Å; I71-W75 PolarHBondContact N-O 2.89Å; I71-L77 HydrophobicContact CD1-CB 4.29Å; I71-L77 HydrophobicContact CG2-CB 3.61Å; I71-L77 HydrophobicContact CG2-CD2 4.33Å; I71-L132 HydrophobicContact CD1-CD2 3.6Å; I71-V148 HydrophobicContact CG2-CG1 4.28Å; I71-L150 HydrophobicContact CB-CD1 4.29Å; I71-L150 HydrophobicContact CD1-CD1 4.27Å; I71-L150 HydrophobicContact CG2-CD1 4.23Å; I71-L150 HydrophobicContact CG2-CD2 3.74Å; I71-L150 HydrophobicContact CG2-CG 4.21Å; I71-I267 HydrophobicContact CD1-CG2 4.36Å; I71-L271 HydrophobicContact CD1-CD1 4.4Å; I71-L271 HydrophobicContact CD1-CD2 4.25Å; I71-L276 HydrophobicContact CB-CD2 4.28Å; I71-L276 HydrophobicContact CD1-CD2 4.05Å; I71-L276 HydrophobicContact CG1-CD2 4.24Å | ||
| 72 | S | 96 | Very high | 96.1 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -152 | -171.4 | 169 | 82.1 | 0 | 0 | 0 | 0 | 109.8 | L70 Q74 W75 | L70-S72 WeakPolarHBondContact CD1-O 3.39Å; L70-S72 WeakPolarHBondContact CG-O 3.26Å; S72-Q74 PolarHBondContact O-N 2.82Å; S72-Q74 PolarHBondContact OG-N 2.67Å; S72-W75 PolarHBondContact N-O 3.19Å; S72-W75 WeakPolarHBondContact OG-CB 3.42Å; S72-W75 VanDerWaalsContact OG-CD1 3.3Å; S72-W75 PolarHBondContact OG-N 3.37Å |
| 73 | H | 95 | Very high | 96.2 | Very high | 56 Ų | 56 | 15.8 Ų | 15.8 | 26% | 0.259 | 8% | 0.082 | S | C | . | . | S | Bend | trans | -70.2 | -13.4 | 177.5 | 61.5 | -85.9 | 0 | 0 | 0 | 113.6 | A138 V139 F141 D274 | H73-A138 CarbonylContact O-C 3.58Å; H73-A138 VanDerWaalsContact O-CA 3.29Å; H73-A138 WeakPolarHBondContact O-CA 3.46Å; H73-V139 WeakPolarHBondContact O-CG2 3.49Å; H73-V139 PolarHBondContact O-N 3Å; H73-F141 HydrophobicContact CB-CE1 3.97Å; H73-F141 HydrophobicContact CB-CZ 3.71Å; H73-D274 IonicContact CE1-OD1 3.05Å; H73-D274 PolarHBondContact CE1-OD1 2.62Å |
| 74 | Q | 95.9 | Very high | 95.7 | Very high | 46 Ų | 46 | 16.5 Ų | 16.5 | 22% | 0.215 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -136.4 | 8.4 | -177.5 | -156.5 | 175.4 | -15.2 | 0 | 0 | 113.7 | S72 Q134 L135 | S72-Q74 PolarHBondContact O-N 2.82Å; S72-Q74 PolarHBondContact OG-N 2.67Å; Q74-Q134 HydrophobicContact CG-CG 4.4Å; Q74-L135 HydrophobicContact CG-CB 4.03Å; Q74-L135 VanDerWaalsContact CG-O 3.29Å; Q74-L135 WeakPolarHBondContact CG-O 3.23Å; Q74-L135 PolarHBondContact NE2-O 3.08Å; Q74-L135 PolarHBondContact O-N 2.78Å |
| 75 | W | 97.8 | Very high | 94.6 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.008 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 135.7 | -174.1 | -69.3 | 91.3 | 0 | 0 | 0 | 112.8 | I71 S72 I116 L132 L133 Q134 L271 D274 | I71-W75 HydrophobicContact CD1-CB 4.12Å; I71-W75 HydrophobicContact CG1-CB 3.78Å; I71-W75 VanDerWaalsContact CG1-O 3.29Å; I71-W75 WeakPolarHBondContact CG1-O 3.46Å; I71-W75 PolarHBondContact N-O 2.89Å; S72-W75 PolarHBondContact N-O 3.19Å; S72-W75 WeakPolarHBondContact OG-CB 3.42Å; S72-W75 VanDerWaalsContact OG-CD1 3.3Å; S72-W75 PolarHBondContact OG-N 3.37Å; W75-I116 HydrophobicContact CH2-CD1 4.01Å; W75-I116 HydrophobicContact CZ3-CD1 4.05Å; W75-L132 HydrophobicContact CE3-CB 4.1Å; W75-L132 HydrophobicContact CZ3-CB 3.93Å; W75-L133 WeakPolarHBondContact CA-O 3.4Å; W75-Q134 HydrophobicContact CD2-CB 4.26Å; W75-Q134 HydrophobicContact CD2-CG 4.27Å; W75-Q134 HydrophobicContact CE3-CB 3.96Å; W75-Q134 HydrophobicContact CE3-CG 4.46Å; W75-Q134 HydrophobicContact CH2-CB 3.99Å; W75-Q134 HydrophobicContact CH2-CG 4.29Å; W75-Q134 HydrophobicContact CZ2-CB 4.22Å; W75-Q134 HydrophobicContact CZ2-CG 4.01Å; W75-Q134 HydrophobicContact CZ3-CB 3.81Å; W75-Q134 HydrophobicContact CZ3-CG 4.46Å; W75-L271 HydrophobicContact CB-CD2 3.91Å; W75-L271 HydrophobicContact CD2-CD1 4.14Å; W75-L271 HydrophobicContact CD2-CD2 4.05Å; W75-L271 HydrophobicContact CD2-CG 3.75Å; W75-L271 HydrophobicContact CE3-CD1 4.21Å; W75-L271 HydrophobicContact CE3-CG 4.3Å; W75-L271 HydrophobicContact CG-CD1 4.46Å; W75-L271 HydrophobicContact CG-CD2 3.59Å; W75-L271 HydrophobicContact CG-CG 3.87Å; W75-L271 HydrophobicContact CZ2-CG 4.14Å; W75-L271 HydrophobicContact CZ3-CD1 4.48Å; W75-D274 VanDerWaalsContact CD1-OD2 3.25Å; W75-D274 PolarHBondContact NE1-OD2 3.35Å |
| 76 | V | 98.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 136.8 | 175.5 | 172.4 | 0 | 0 | 0 | 0 | 109.5 | V57 S69 L70 V93 L132 L133 L135 | V57-V76 HydrophobicContact CB-CG1 4.26Å; V57-V76 HydrophobicContact CG1-CG1 4.1Å; V57-V76 HydrophobicContact CG2-CG1 4.1Å; V57-V76 HydrophobicContact CG2-CG2 3.98Å; S69-V76 CarbonylContact O-C 3.42Å; S69-V76 VanDerWaalsContact O-CA 3.24Å; S69-V76 WeakPolarHBondContact O-CA 3.4Å; L70-V76 HydrophobicContact CD1-CG2 4.12Å; V76-V93 HydrophobicContact CG2-CG1 4.14Å; V76-L132 WeakPolarHBondContact O-CA 3.41Å; V76-L133 HydrophobicContact CB-CB 4.25Å; V76-L133 HydrophobicContact CG1-CD1 4.46Å; V76-L133 PolarHBondContact N-O 2.93Å; V76-L133 PolarHBondContact O-N 2.84Å; V76-L135 HydrophobicContact CG2-CD1 4.46Å; V76-L135 HydrophobicContact CG2-CD2 4.02Å; V76-L135 HydrophobicContact CG2-CG 4.47Å |
| 77 | L | 98.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 134 | 171.8 | -175.2 | 70.3 | 0 | 0 | 0 | 109.7 | G68 S69 I71 V130 L132 L150 I241 V260 I267 | G68-L77 CarbonylContact C-O 3.56Å; G68-L77 VanDerWaalsContact CA-O 3.31Å; G68-L77 WeakPolarHBondContact CA-O 3.48Å; S69-L77 PolarHBondContact N-O 3.07Å; S69-L77 PolarHBondContact O-N 2.93Å; S69-L77 PolarHBondContact OG-O 2.06Å; S69-L77 VanDerWaalsContact OG-O 3.12Å; I71-L77 HydrophobicContact CD1-CB 4.29Å; I71-L77 HydrophobicContact CG2-CB 3.61Å; I71-L77 HydrophobicContact CG2-CD2 4.33Å; L77-V130 HydrophobicContact CD1-CG2 3.51Å; L77-L132 HydrophobicContact CD1-CD2 3.84Å; L77-L132 HydrophobicContact CD1-CG 4.49Å; L77-L150 HydrophobicContact CD2-CD2 3.69Å; L77-I241 HydrophobicContact CD1-CD1 4Å; L77-I241 HydrophobicContact CD2-CD1 3.85Å; L77-I241 HydrophobicContact CD2-CG1 4.19Å; L77-I241 HydrophobicContact CG-CD1 3.73Å; L77-I241 HydrophobicContact CG-CG1 4.35Å; L77-V260 HydrophobicContact CD2-CG2 4.33Å; L77-I267 HydrophobicContact CD1-CD1 4.03Å; L77-I267 HydrophobicContact CD2-CD1 4.49Å |
| 78 | S | 98.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | -171.4 | 179.6 | -170.7 | 0 | 0 | 0 | 0 | 110.1 | G67 A131 | G67-S78 PolarHBondContact O-OG 3.14Å; S78-A131 PolarHBondContact N-O 3.1Å; S78-A131 PolarHBondContact O-N 2.89Å |
| 79 | A | 97.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -92.1 | 147.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111.3 | H81 C82 F83 I241 | A79-H81 WeakPolarHBondContact CB-ND1 3.12Å; A79-C82 WeakPolarHBondContact O-CB 3.26Å; A79-C82 PolarHBondContact O-N 3.47Å; A79-F83 WeakPolarHBondContact O-CD2 3.43Å; A79-F83 WeakPolarHBondContact O-CE2 3.25Å; A79-I241 HydrophobicContact CB-CG2 4.09Å | ||
| 80 | A | 97.5 | Very high | 90 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -69.4 | -35.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | C82 F83 T117 Y121 D129 A131 | A80-C82 PolarHBondContact O-N 2.93Å; A80-C82 VanDerWaalsContact O-N 3.13Å; A80-F83 PolarHBondContact O-N 3.08Å; A80-T117 HydrophobicContact CB-CG2 4Å; A80-Y121 HydrophobicContact CB-CD1 3.46Å; A80-Y121 VanDerWaalsContact CB-CD1 3.46Å; A80-Y121 HydrophobicContact CB-CD2 3.8Å; A80-Y121 HydrophobicContact CB-CE1 3.83Å; A80-Y121 HydrophobicContact CB-CE2 4.21Å; A80-Y121 HydrophobicContact CB-CG 3.46Å; A80-Y121 VanDerWaalsContact CB-CG 3.46Å; A80-D129 WeakPolarHBondContact CA-OD1 3.26Å; A80-D129 PolarHBondContact N-OD1 3.49Å; A80-A131 HydrophobicContact CB-CB 4.49Å |
| 81 | H | 94.9 | Very high | 89.8 | Confident | 38 Ų | 38 | 42.9 Ų | 42.9 | 18% | 0.176 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -60.7 | -24.4 | 179.5 | 78.8 | -103 | 0 | 0 | 0 | 112.9 | A79 F83 Y121 D129 S224 S243 | A79-H81 WeakPolarHBondContact CB-ND1 3.12Å; H81-F83 PolarHBondContact O-N 2.87Å; H81-F83 VanDerWaalsContact O-N 3.13Å; H81-Y121 HydrophobicContact CB-CE1 4.43Å; H81-Y121 WeakPolarHBondContact CB-OH 3.36Å; H81-D129 IonicContact CE1-OD2 3.77Å; H81-D129 IonicContact CG-OD1 2.69Å; H81-D129 IonicContact CG-OD2 3.85Å; H81-D129 PolarHBondContact N-OD1 3.44Å; H81-D129 IonicContact ND1-OD1 3.94Å; H81-D129 PolarHBondContact ND1-OD1 2.94Å; H81-D129 IonicContact ND1-OD2 3.32Å; H81-D129 PolarHBondContact ND1-OD2 2.99Å; H81-S224 PolarHBondContact CE1-OG 3.26Å; H81-S224 WeakPolarHBondContact NE2-CB 3.44Å; H81-S224 PolarHBondContact NE2-OG 2.86Å; H81-S243 PolarHBondContact CE1-O 3.48Å; H81-S243 VanDerWaalsContact CE1-O 3.25Å |
| 82 | C | 94.4 | Very high | 89.7 | Confident | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.02 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -64.5 | -9.9 | 174.1 | -69.7 | 0 | 0 | 0 | 0 | 113.6 | F65 C66 A79 A80 F86 | F65-C82 HydrophobicContact CE2-CB 4.13Å; F65-C82 WeakPolarHBondContact CE2-O 3.24Å; C66-C82 HydrophobicContact CB-CB 3.88Å; C66-C82 WeakPolarHBondContact CB-SG 3.29Å; C66-C82 WeakPolarHBondContact SG-CB 3.26Å; C66-C82 CovalentContact SG-SG 2.05Å; C66-C82 PolarHBondContact SG-SG 3.3Å; A79-C82 WeakPolarHBondContact O-CB 3.26Å; A79-C82 PolarHBondContact O-N 3.47Å; A80-C82 PolarHBondContact O-N 2.93Å; A80-C82 VanDerWaalsContact O-N 3.13Å; C82-F86 WeakPolarHBondContact O-CD2 3.08Å; C82-F86 WeakPolarHBondContact O-CE2 3.36Å |
| 83 | F | 92.7 | Very high | 89.8 | Confident | 20 Ų | 20 | 44.8 Ų | 44.8 | 9% | 0.088 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -127.5 | 2.6 | -169.1 | -55.2 | -68.9 | 0 | 0 | 0 | 115.8 | L59 F65 A79 A80 H81 R85 F86 L91 V115 T117 A131 L133 | L59-F83 HydrophobicContact CD1-CE1 4.17Å; L59-F83 HydrophobicContact CD1-CZ 3.63Å; F65-F83 HydrophobicContact CE2-CE1 4.46Å; F65-F83 HydrophobicContact CZ-CE1 4.2Å; A79-F83 WeakPolarHBondContact O-CD2 3.43Å; A79-F83 WeakPolarHBondContact O-CE2 3.25Å; A80-F83 PolarHBondContact O-N 3.08Å; H81-F83 PolarHBondContact O-N 2.87Å; H81-F83 VanDerWaalsContact O-N 3.13Å; F83-R85 PolarHBondContact O-N 2.86Å; F83-R85 VanDerWaalsContact O-N 3.1Å; F83-F86 PolarHBondContact O-N 3.31Å; F83-L91 HydrophobicContact CD1-CD2 4.43Å; F83-L91 HydrophobicContact CE1-CD2 3.9Å; F83-V115 HydrophobicContact CB-CG1 3.99Å; F83-V115 HydrophobicContact CD1-CG1 3.93Å; F83-V115 HydrophobicContact CD1-CG2 4.41Å; F83-V115 HydrophobicContact CD2-CG1 3.82Å; F83-V115 HydrophobicContact CE1-CG1 4.41Å; F83-V115 HydrophobicContact CE2-CG1 4.32Å; F83-V115 HydrophobicContact CG-CG1 3.61Å; F83-T117 HydrophobicContact CB-CG2 4.25Å; F83-A131 HydrophobicContact CD2-CB 3.69Å; F83-A131 HydrophobicContact CE2-CB 3.73Å; F83-L133 HydrophobicContact CE1-CD2 4.04Å; F83-L133 HydrophobicContact CE1-CG 4.45Å; F83-L133 HydrophobicContact CE2-CD1 3.87Å; F83-L133 HydrophobicContact CZ-CD1 3.63Å; F83-L133 HydrophobicContact CZ-CD2 3.79Å; F83-L133 HydrophobicContact CZ-CG 4.01Å |
| 84 | Q | 79.6 | Confident | 90 | Very high | 95 Ų | 95 | 44.6 Ų | 44.6 | 44% | 0.444 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -22.4 | -173.7 | -69.7 | 179.4 | -39.2 | 0 | 0 | 115.7 | Y121 D123 | Q84-Y121 HydrophobicContact CG-CE1 3.94Å; Q84-Y121 PolarHBondContact NE2-OH 3.26Å; Q84-D123 VanDerWaalsContact CD-OD1 3.3Å; Q84-D123 PolarHBondContact NE2-OD1 2.95Å; Q84-D123 PolarHBondContact OE1-OD1 3.35Å; Q84-D123 VanDerWaalsContact OE1-OD1 3.06Å |
| 85 | R | 69.9 | Low | 90.1 | Very high | 236 Ų | 236 | 42.5 Ų | 42.5 | 89% | 0.891 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -132.5 | 28.6 | -177.1 | -61.4 | -171.9 | -180 | -174.1 | 1.1 | 113.2 | F83 | F83-R85 PolarHBondContact O-N 2.86Å; F83-R85 VanDerWaalsContact O-N 3.1Å |
| 86 | F | 70.3 | Confident | 90.1 | Very high | 71 Ų | 71 | 43 Ų | 43 | 31% | 0.311 | 22% | 0.215 | S | C | . | . | trans | -107.4 | 139.2 | -170 | -73.6 | -95.6 | 0 | 0 | 0 | 113.3 | Q61 F65 C82 F83 | Q61-F86 HydrophobicContact CB-CD1 4.49Å; Q61-F86 HydrophobicContact CB-CE1 4.44Å; Q61-F86 VanDerWaalsContact OE1-CD1 3.23Å; F65-F86 HydrophobicContact CD1-CE1 4.3Å; F65-F86 AromaticContact CD2-CE1 3.86Å; F65-F86 HydrophobicContact CD2-CE1 3.86Å; F65-F86 AromaticContact CD2-CZ 3.67Å; F65-F86 HydrophobicContact CD2-CZ 3.67Å; F65-F86 HydrophobicContact CE1-CE1 4.23Å; F65-F86 HydrophobicContact CE2-CD1 4.37Å; F65-F86 AromaticContact CE2-CE1 3.78Å; F65-F86 HydrophobicContact CE2-CE1 3.78Å; F65-F86 HydrophobicContact CE2-CE2 4.38Å; F65-F86 AromaticContact CE2-CZ 3.77Å; F65-F86 HydrophobicContact CE2-CZ 3.77Å; F65-F86 HydrophobicContact CG-CE1 4.13Å; F65-F86 HydrophobicContact CG-CZ 4.26Å; F65-F86 HydrophobicContact CZ-CD1 4.26Å; F65-F86 AromaticContact CZ-CE1 3.98Å; F65-F86 HydrophobicContact CZ-CE1 3.98Å; F65-F86 HydrophobicContact CZ-CZ 4.42Å; C82-F86 WeakPolarHBondContact O-CD2 3.08Å; C82-F86 WeakPolarHBondContact O-CE2 3.36Å; F83-F86 PolarHBondContact O-N 3.31Å | ||
| 87 | V | 72.1 | Confident | 90.1 | Very high | 86 Ų | 86 | 44.6 Ų | 44.6 | 52% | 0.521 | 22% | 0.221 | S | C | . | . | trans | -89.7 | 112.5 | 168 | -172.2 | 0 | 0 | 0 | 0 | 108.5 | Q61 S89 N90 | Q61-V87 PolarHBondContact NE2-O 2.86Å; V87-S89 VanDerWaalsContact CG1-OG 3.31Å; V87-S89 WeakPolarHBondContact CG1-OG 3.47Å; V87-S89 PolarHBondContact O-N 3.17Å; V87-S89 VanDerWaalsContact O-N 3.14Å; V87-N90 PolarHBondContact O-N 2.94Å | ||
| 88 | T | 77 | Confident | 89.9 | Confident | 53 Ų | 53 | 47.1 Ų | 47.1 | 33% | 0.325 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -57 | -30.1 | -175.9 | -46.2 | 0 | 0 | 0 | 0 | 113.3 | N90 L91 V112 V115 | T88-N90 PolarHBondContact O-N 3.42Å; T88-N90 VanDerWaalsContact O-N 3.1Å; T88-L91 WeakPolarHBondContact O-CB 3.34Å; T88-L91 PolarHBondContact O-N 2.69Å; T88-L91 VanDerWaalsContact O-N 3.1Å; T88-V112 HydrophobicContact CG2-CB 4.32Å; T88-V112 HydrophobicContact CG2-CG1 4.1Å; T88-V115 HydrophobicContact CG2-CG2 4.03Å |
| 89 | S | 78.7 | Confident | 89.8 | Confident | 92 Ų | 92 | 47.5 Ų | 47.5 | 64% | 0.643 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -61.5 | -22 | -176.9 | 65.1 | 0 | 0 | 0 | 0 | 114.6 | V87 | V87-S89 VanDerWaalsContact CG1-OG 3.31Å; V87-S89 WeakPolarHBondContact CG1-OG 3.47Å; V87-S89 PolarHBondContact O-N 3.17Å; V87-S89 VanDerWaalsContact O-N 3.14Å |
| 90 | N | 86.9 | Confident | 89.7 | Confident | 95 Ų | 95 | 49.1 Ų | 49.1 | 51% | 0.508 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -103.8 | 3.4 | -177.8 | -63 | -9.4 | 0 | 0 | 0 | 112.7 | Q61 V87 T88 | Q61-N90 HydrophobicContact CG-CB 3.92Å; V87-N90 PolarHBondContact O-N 2.94Å; T88-N90 PolarHBondContact O-N 3.42Å; T88-N90 VanDerWaalsContact O-N 3.1Å |
| 91 | L | 94.2 | Very high | 89.4 | Confident | 6 Ų | 6 | 54 Ų | 54 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | trans | -83.9 | 120.1 | -176.7 | -176.8 | 58.1 | 0 | 0 | 0 | 110.5 | L59 H60 F65 F83 T88 V112 V115 L133 | L59-L91 HydrophobicContact CB-CD1 4.33Å; H60-L91 WeakPolarHBondContact O-CA 3.49Å; F65-L91 HydrophobicContact CE1-CD1 3.57Å; F65-L91 HydrophobicContact CZ-CD1 3.63Å; F83-L91 HydrophobicContact CD1-CD2 4.43Å; F83-L91 HydrophobicContact CE1-CD2 3.9Å; T88-L91 WeakPolarHBondContact O-CB 3.34Å; T88-L91 PolarHBondContact O-N 2.69Å; T88-L91 VanDerWaalsContact O-N 3.1Å; L91-V112 HydrophobicContact CB-CG2 4.33Å; L91-V112 HydrophobicContact CD2-CB 4.12Å; L91-V112 HydrophobicContact CD2-CG1 4.28Å; L91-V112 HydrophobicContact CD2-CG2 3.74Å; L91-V112 HydrophobicContact CG-CB 4.37Å; L91-V112 HydrophobicContact CG-CG2 3.76Å; L91-V115 HydrophobicContact CD2-CG2 3.95Å; L91-L133 HydrophobicContact CD2-CD2 3.81Å | ||
| 92 | I | 97.1 | Very high | 89.3 | Confident | 42 Ų | 42 | 54.6 Ų | 54.6 | 22% | 0.215 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 130.7 | 173.9 | -53.5 | -61.8 | 0 | 0 | 0 | 109.1 | H60 Y94 K111 | H60-I92 PolarHBondContact N-O 3.38Å; H60-I92 PolarHBondContact O-N 3Å; I92-Y94 HydrophobicContact CB-CE2 3.95Å; I92-Y94 HydrophobicContact CG2-CD2 3.93Å; I92-Y94 HydrophobicContact CG2-CE1 4.23Å; I92-Y94 HydrophobicContact CG2-CE2 3.46Å; I92-Y94 VanDerWaalsContact CG2-CE2 3.46Å; I92-Y94 HydrophobicContact CG2-CG 4.49Å; I92-K111 HydrophobicContact CD1-CG 3.92Å |
| 93 | V | 98.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 124.5 | 174.1 | 175.4 | 0 | 0 | 0 | 0 | 107.7 | V57 L59 V76 L95 S109 R110 V112 L133 L135 | V57-V93 HydrophobicContact CG1-CG1 3.57Å; V57-V93 HydrophobicContact CG2-CG1 4.41Å; L59-V93 HydrophobicContact CD2-CG2 3.8Å; V76-V93 HydrophobicContact CG2-CG1 4.14Å; V93-L95 HydrophobicContact CG1-CD1 3.86Å; V93-L95 HydrophobicContact CG1-CG 4.17Å; V93-S109 CarbonylContact O-C 3.57Å; V93-S109 VanDerWaalsContact O-CA 3.23Å; V93-S109 WeakPolarHBondContact O-CA 3.31Å; V93-R110 PolarHBondContact N-O 2.83Å; V93-R110 PolarHBondContact O-N 2.8Å; V93-V112 HydrophobicContact CG2-CG2 3.42Å; V93-V112 VanDerWaalsContact CG2-CG2 3.42Å; V93-L133 HydrophobicContact CG2-CD2 4.31Å; V93-L135 HydrophobicContact CB-CD2 3.97Å; V93-L135 HydrophobicContact CG1-CD2 3.9Å; V93-L135 HydrophobicContact CG2-CD2 3.78Å |
| 94 | Y | 98.5 | Very high | 89.5 | Confident | 51 Ų | 51 | 61.9 Ų | 61.9 | 20% | 0.2 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 134.2 | 172.2 | -66.2 | -89.5 | 0 | 0 | 0 | 110.8 | V57 S58 H60 I92 E107 E108 | V57-Y94 WeakPolarHBondContact CA-O 3.39Å; S58-Y94 PolarHBondContact N-O 3.23Å; S58-Y94 PolarHBondContact O-N 2.96Å; H60-Y94 HydrophobicContact CB-CD2 4.17Å; H60-Y94 HydrophobicContact CB-CE2 3.77Å; H60-Y94 AromaticContact CD2-CD2 3.36Å; H60-Y94 WeakPolarHBondContact CD2-CD2 3.5Å; H60-Y94 AromaticContact CD2-CE2 3.69Å; H60-Y94 AromaticContact CG-CD2 3.7Å; H60-Y94 AromaticContact CG-CE2 3.5Å; H60-Y94 AromaticContact ND1-CE2 3.77Å; H60-Y94 AromaticContact NE2-CD2 3.69Å; I92-Y94 HydrophobicContact CB-CE2 3.95Å; I92-Y94 HydrophobicContact CG2-CD2 3.93Å; I92-Y94 HydrophobicContact CG2-CE1 4.23Å; I92-Y94 HydrophobicContact CG2-CE2 3.46Å; I92-Y94 VanDerWaalsContact CG2-CE2 3.46Å; I92-Y94 HydrophobicContact CG2-CG 4.49Å; Y94-E107 VanDerWaalsContact CD1-CD 3.48Å; Y94-E107 HydrophobicContact CD1-CG 3.86Å; Y94-E107 WeakPolarHBondContact CD1-OE1 3.31Å; Y94-E107 VanDerWaalsContact CE1-OE1 3.23Å; Y94-E107 WeakPolarHBondContact CE1-OE1 3.36Å; Y94-E108 WeakPolarHBondContact CA-O 3.45Å |
| 95 | L | 98.6 | Very high | 90.3 | Very high | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 150.6 | 180 | -49.3 | 97.7 | 0 | 0 | 0 | 109 | V57 L70 V93 R97 E107 E108 R110 V139 I145 | V57-L95 HydrophobicContact CG2-CD2 4.19Å; V57-L95 HydrophobicContact CG2-CG 4.29Å; L70-L95 HydrophobicContact CB-CD2 4.28Å; L70-L95 HydrophobicContact CD1-CD2 3.67Å; L70-L95 HydrophobicContact CD2-CD2 3.85Å; L70-L95 HydrophobicContact CG-CD2 4.15Å; V93-L95 HydrophobicContact CG1-CD1 3.86Å; V93-L95 HydrophobicContact CG1-CG 4.17Å; L95-R97 PolarHBondContact O-N 3.1Å; L95-R97 VanDerWaalsContact O-N 3.1Å; L95-E107 CarbonylContact O-C 3.38Å; L95-E107 VanDerWaalsContact O-CA 3.25Å; L95-E107 WeakPolarHBondContact O-CA 3.49Å; L95-E108 PolarHBondContact N-O 2.95Å; L95-E108 PolarHBondContact O-N 3.2Å; L95-R110 HydrophobicContact CD1-CG 4.32Å; L95-V139 HydrophobicContact CD1-CG1 3.92Å; L95-V139 HydrophobicContact CD2-CG1 4.11Å; L95-V139 HydrophobicContact CD2-CG2 4.44Å; L95-I145 HydrophobicContact CB-CD1 4.01Å; L95-I145 HydrophobicContact CB-CG1 4.04Å; L95-I145 HydrophobicContact CB-CG2 4.15Å; L95-I145 HydrophobicContact CD2-CG2 4.08Å |
| 96 | G | 97.9 | Very high | 91.6 | Very high | 13 Ų | 13 | 54.8 Ų | 54.8 | 13% | 0.134 | 30% | 0.298 | C | S | . | . | S | Bend | trans | 65.7 | 8.5 | -176 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 97 | R | 97.8 | Very high | 92.9 | Very high | 34 Ų | 34 | 53.9 Ų | 53.9 | 13% | 0.128 | 30% | 0.295 | C | S | . | . | trans | -70.1 | 134.9 | 173.2 | 173.6 | 165.1 | -113 | 121.7 | 24.4 | 109.5 | L95 T99 N104 E107 W168 | L95-R97 PolarHBondContact O-N 3.1Å; L95-R97 VanDerWaalsContact O-N 3.1Å; R97-T99 WeakPolarHBondContact CG-O 3.29Å; R97-T99 PolarHBondContact NE-O 2.84Å; R97-T99 VanDerWaalsContact NE-O 3.08Å; R97-N104 PolarHBondContact NE-ND2 3.37Å; R97-E107 HydrophobicContact CB-CG 4.32Å; R97-E107 VanDerWaalsContact CB-OE2 3.29Å; R97-E107 WeakPolarHBondContact CB-OE2 3.25Å; R97-E107 WeakPolarHBondContact CG-OE2 3.2Å; R97-E107 VanDerWaalsContact CZ-CD 3.47Å; R97-E107 IonicContact CZ-OE1 2.91Å; R97-E107 IonicContact CZ-OE2 2.84Å; R97-E107 IonicContact NE-OE2 2.71Å; R97-E107 PolarHBondContact NE-OE2 3.31Å; R97-E107 IonicContact NH1-OE1 3.54Å; R97-E107 IonicContact NH1-OE2 3.49Å; R97-E107 VanDerWaalsContact NH2-CD 3.28Å; R97-E107 IonicContact NH2-OE1 3.55Å; R97-E107 PolarHBondContact NH2-OE1 3.32Å; R97-E107 IonicContact NH2-OE2 2.87Å; R97-E107 PolarHBondContact NH2-OE2 2.87Å; R97-W168 HydrophobicContact CB-CH2 4.41Å; R97-W168 HydrophobicContact CB-CZ2 4.37Å; R97-W168 HydrophobicContact CG-CH2 4.38Å; R97-W168 HydrophobicContact CG-CZ2 3.99Å; R97-W168 VanDerWaalsContact O-CZ2 3.32Å; R97-W168 WeakPolarHBondContact O-CZ2 3.49Å | ||
| 98 | H | 95.8 | Very high | 94.2 | Very high | 53 Ų | 53 | 52.1 Ų | 52.1 | 25% | 0.245 | 28% | 0.281 | C | S | . | . | trans | -109.2 | -37.7 | 175.9 | -175.6 | -147.7 | 0 | 0 | 0 | 112.1 | A48 N104 W168 T182 L183 | A48-H98 PolarHBondContact O-NE2 3.44Å; H98-N104 PolarHBondContact N-OD1 3.03Å; H98-W168 PolarHBondContact O-NE1 3.04Å; H98-W168 VanDerWaalsContact O-NE1 3.17Å; H98-T182 VanDerWaalsContact NE2-CG2 3.29Å; H98-T182 WeakPolarHBondContact NE2-CG2 3.43Å; H98-L183 PolarHBondContact O-N 2.92Å | ||
| 99 | T | 95.9 | Very high | 95.1 | Very high | 8 Ų | 8 | 52.7 Ų | 52.7 | 5% | 0.049 | 29% | 0.287 | C | S | . | . | B | Isolated β-bridge | trans | -129.1 | 151.5 | -176.8 | 67.1 | 0 | 0 | 0 | 0 | 111.5 | R97 S102 N104 P180 Q181 | R97-T99 WeakPolarHBondContact CG-O 3.29Å; R97-T99 PolarHBondContact NE-O 2.84Å; R97-T99 VanDerWaalsContact NE-O 3.08Å; T99-S102 VanDerWaalsContact CB-OG 3.25Å; T99-S102 WeakPolarHBondContact CB-OG 3.44Å; T99-S102 WeakPolarHBondContact CG2-OG 3.49Å; T99-S102 PolarHBondContact OG1-N 2.85Å; T99-S102 PolarHBondContact OG1-O 3.24Å; T99-S102 PolarHBondContact OG1-OG 2.94Å; T99-N104 PolarHBondContact N-OD1 2.96Å; T99-N104 PolarHBondContact O-ND2 3.06Å; T99-N104 PolarHBondContact OG1-OD1 3.2Å; T99-P180 HydrophobicContact CG2-CB 4.33Å; T99-P180 HydrophobicContact CG2-CG 4.02Å; T99-Q181 WeakPolarHBondContact CA-O 3.24Å |
| 100 | Q | 94.9 | Very high | 96.1 | Very high | 33 Ų | 33 | 50 Ų | 50 | 15% | 0.154 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -83.8 | -23.9 | 174.9 | -61.7 | -67.2 | -27.2 | 0 | 0 | 113.1 | S58 H60 W168 P180 Q181 | S58-Q100 PolarHBondContact OG-NE2 2.85Å; S58-Q100 VanDerWaalsContact OG-NE2 3.09Å; H60-Q100 PolarHBondContact CE1-OE1 3.37Å; H60-Q100 PolarHBondContact NE2-OE1 3.39Å; Q100-W168 HydrophobicContact CG-CB 4.09Å; Q100-W168 HydrophobicContact CG-CG 3.86Å; Q100-W168 VanDerWaalsContact NE2-CG 3.32Å; Q100-P180 PolarHBondContact N-O 2.78Å; Q100-Q181 HydrophobicContact CB-CB 3.87Å; Q100-Q181 HydrophobicContact CG-CB 4.17Å; Q100-Q181 PolarHBondContact N-O 2.87Å; Q100-Q181 VanDerWaalsContact N-O 3.12Å |
| 101 | Q | 91.8 | Very high | 96.5 | Very high | 103 Ų | 103 | 51.5 Ų | 51.5 | 48% | 0.481 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -123.1 | 6.8 | -168.3 | -60.3 | -177.2 | -41.3 | 0 | 0 | 114.8 | F179 P180 Q181 | Q101-F179 HydrophobicContact CB-CD2 4.18Å; Q101-F179 HydrophobicContact CB-CE2 4.2Å; Q101-P180 PolarHBondContact N-O 2.86Å; Q101-Q181 HydrophobicContact CG-CG 4.19Å |
| 102 | S | 92.7 | Very high | 96.6 | Very high | 50 Ų | 50 | 51.8 Ų | 51.8 | 35% | 0.35 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -131.5 | 172.8 | 175 | 52.4 | 0 | 0 | 0 | 0 | 112.7 | T99 N104 P180 | T99-S102 VanDerWaalsContact CB-OG 3.25Å; T99-S102 WeakPolarHBondContact CB-OG 3.44Å; T99-S102 WeakPolarHBondContact CG2-OG 3.49Å; T99-S102 PolarHBondContact OG1-N 2.85Å; T99-S102 PolarHBondContact OG1-O 3.24Å; T99-S102 PolarHBondContact OG1-OG 2.94Å; S102-N104 PolarHBondContact O-N 2.85Å; S102-N104 PolarHBondContact O-ND2 2.87Å; S102-P180 WeakPolarHBondContact OG-CB 3.47Å |
| 103 | L | 94.1 | Very high | 96.5 | Very high | 159 Ų | 159 | 52.6 Ų | 52.6 | 83% | 0.832 | 28% | 0.277 | S | S | * | . | trans | -63.4 | 130.3 | -179.4 | -176.2 | 72.3 | 0 | 0 | 0 | 110.5 | ||||
| 104 | N | 97.4 | Very high | 96.3 | Very high | 18 Ų | 18 | 57.5 Ų | 57.5 | 10% | 0.096 | 30% | 0.295 | C | S | . | . | trans | -111.9 | 100.2 | 174.2 | -60.9 | -62.8 | 0 | 0 | 0 | 109.7 | R97 H98 T99 S102 H106 E107 | R97-N104 PolarHBondContact NE-ND2 3.37Å; H98-N104 PolarHBondContact N-OD1 3.03Å; T99-N104 PolarHBondContact N-OD1 2.96Å; T99-N104 PolarHBondContact O-ND2 3.06Å; T99-N104 PolarHBondContact OG1-OD1 3.2Å; S102-N104 PolarHBondContact O-N 2.85Å; S102-N104 PolarHBondContact O-ND2 2.87Å; N104-H106 PolarHBondContact O-N 2.9Å; N104-E107 HydrophobicContact CB-CB 3.53Å; N104-E107 HydrophobicContact CB-CG 4.42Å; N104-E107 WeakPolarHBondContact CB-OE2 3.4Å; N104-E107 PolarHBondContact ND2-OE2 3.49Å; N104-E107 WeakPolarHBondContact O-CB 3.5Å; N104-E107 PolarHBondContact O-N 3.29Å | ||
| 105 | P | 97.1 | Very high | 96.2 | Very high | 102 Ų | 102 | 56.9 Ų | 56.9 | 66% | 0.662 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -16.3 | -173.9 | 26.6 | -34.5 | 0 | 0 | 0 | 114.4 | ||
| 106 | H | 96.9 | Very high | 96.1 | Very high | 79 Ų | 79 | 58 Ų | 58 | 37% | 0.366 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 8.8 | 180 | -52.2 | -62.8 | 0 | 0 | 0 | 112.8 | N104 Y144 | N104-H106 PolarHBondContact O-N 2.9Å; H106-Y144 HydrophobicContact CB-CD1 3.92Å; H106-Y144 HydrophobicContact CB-CD2 3.77Å; H106-Y144 HydrophobicContact CB-CE1 4.49Å; H106-Y144 HydrophobicContact CB-CE2 4.36Å; H106-Y144 HydrophobicContact CB-CG 3.53Å; H106-Y144 AromaticContact CD2-CD1 3.63Å; H106-Y144 AromaticContact CD2-CD2 3.89Å; H106-Y144 AromaticContact CD2-CE1 3.31Å; H106-Y144 WeakPolarHBondContact CD2-CE1 3.3Å; H106-Y144 AromaticContact CD2-CE2 3.6Å; H106-Y144 AromaticContact CD2-CG 3.91Å; H106-Y144 AromaticContact CD2-CZ 3.29Å; H106-Y144 AromaticContact CE1-CE2 3.49Å; H106-Y144 VanDerWaalsContact CE1-CE2 3.49Å; H106-Y144 WeakPolarHBondContact CE1-CE2 3.32Å; H106-Y144 AromaticContact CE1-CZ 3.68Å; H106-Y144 AromaticContact CG-CD1 3.81Å; H106-Y144 AromaticContact CG-CD2 3.46Å; H106-Y144 VanDerWaalsContact CG-CD2 3.46Å; H106-Y144 AromaticContact CG-CE1 3.89Å; H106-Y144 AromaticContact CG-CE2 3.55Å; H106-Y144 AromaticContact CG-CG 3.61Å; H106-Y144 AromaticContact CG-CZ 3.77Å; H106-Y144 AromaticContact ND1-CD2 3.64Å; H106-Y144 AromaticContact ND1-CE2 3.49Å; H106-Y144 WeakPolarHBondContact ND1-CE2 3.45Å; H106-Y144 AromaticContact ND1-CZ 3.99Å; H106-Y144 AromaticContact NE2-CE1 3.77Å; H106-Y144 AromaticContact NE2-CE2 3.58Å; H106-Y144 AromaticContact NE2-CZ 3.27Å; H106-Y144 VanDerWaalsContact NE2-CZ 3.27Å; H106-Y144 PolarHBondContact NE2-OH 3.09Å |
| 107 | E | 97.8 | Very high | 96.1 | Very high | 52 Ų | 52 | 60.3 Ų | 60.3 | 24% | 0.243 | 31% | 0.314 | C | S | . | . | trans | -77.1 | 134.2 | -177.2 | 177 | 176 | 119.1 | 0 | 0 | 111.4 | Y94 L95 R97 N104 | Y94-E107 VanDerWaalsContact CD1-CD 3.48Å; Y94-E107 HydrophobicContact CD1-CG 3.86Å; Y94-E107 WeakPolarHBondContact CD1-OE1 3.31Å; Y94-E107 VanDerWaalsContact CE1-OE1 3.23Å; Y94-E107 WeakPolarHBondContact CE1-OE1 3.36Å; L95-E107 CarbonylContact O-C 3.38Å; L95-E107 VanDerWaalsContact O-CA 3.25Å; L95-E107 WeakPolarHBondContact O-CA 3.49Å; R97-E107 HydrophobicContact CB-CG 4.32Å; R97-E107 VanDerWaalsContact CB-OE2 3.29Å; R97-E107 WeakPolarHBondContact CB-OE2 3.25Å; R97-E107 WeakPolarHBondContact CG-OE2 3.2Å; R97-E107 VanDerWaalsContact CZ-CD 3.47Å; R97-E107 IonicContact CZ-OE1 2.91Å; R97-E107 IonicContact CZ-OE2 2.84Å; R97-E107 IonicContact NE-OE2 2.71Å; R97-E107 PolarHBondContact NE-OE2 3.31Å; R97-E107 IonicContact NH1-OE1 3.54Å; R97-E107 IonicContact NH1-OE2 3.49Å; R97-E107 VanDerWaalsContact NH2-CD 3.28Å; R97-E107 IonicContact NH2-OE1 3.55Å; R97-E107 PolarHBondContact NH2-OE1 3.32Å; R97-E107 IonicContact NH2-OE2 2.87Å; R97-E107 PolarHBondContact NH2-OE2 2.87Å; N104-E107 HydrophobicContact CB-CB 3.53Å; N104-E107 HydrophobicContact CB-CG 4.42Å; N104-E107 WeakPolarHBondContact CB-OE2 3.4Å; N104-E107 PolarHBondContact ND2-OE2 3.49Å; N104-E107 WeakPolarHBondContact O-CB 3.5Å; N104-E107 PolarHBondContact O-N 3.29Å | ||
| 108 | E | 98.1 | Very high | 96.1 | Very high | 50 Ų | 50 | 59.7 Ų | 59.7 | 23% | 0.234 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 149.9 | 163.4 | -69.5 | -166.9 | -149.7 | 0 | 0 | 109.6 | Y94 L95 R110 I145 | Y94-E108 WeakPolarHBondContact CA-O 3.45Å; L95-E108 PolarHBondContact N-O 2.95Å; L95-E108 PolarHBondContact O-N 3.2Å; E108-R110 IonicContact OE2-CZ 3.49Å; E108-R110 IonicContact OE2-NH1 2.93Å; E108-R110 PolarHBondContact OE2-NH1 2.94Å; E108-R110 IonicContact OE2-NH2 3.19Å; E108-R110 PolarHBondContact OE2-NH2 3.02Å; E108-I145 HydrophobicContact CB-CD1 3.78Å; E108-I145 HydrophobicContact CG-CD1 3.67Å |
| 109 | S | 97.8 | Very high | 96.1 | Very high | 64 Ų | 64 | 62 Ų | 62 | 45% | 0.448 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 148.6 | 172.4 | 68.2 | 0 | 0 | 0 | 0 | 111.4 | V93 | V93-S109 CarbonylContact O-C 3.57Å; V93-S109 VanDerWaalsContact O-CA 3.23Å; V93-S109 WeakPolarHBondContact O-CA 3.31Å |
| 110 | R | 97.9 | Very high | 96.2 | Very high | 36 Ų | 36 | 66.7 Ų | 66.7 | 14% | 0.136 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 143 | 175 | -67.2 | -62.2 | -175.9 | -74.1 | -2 | 110.3 | V93 L95 E108 L135 E137 A138 V139 | V93-R110 PolarHBondContact N-O 2.83Å; V93-R110 PolarHBondContact O-N 2.8Å; L95-R110 HydrophobicContact CD1-CG 4.32Å; E108-R110 IonicContact OE2-CZ 3.49Å; E108-R110 IonicContact OE2-NH1 2.93Å; E108-R110 PolarHBondContact OE2-NH1 2.94Å; E108-R110 IonicContact OE2-NH2 3.19Å; E108-R110 PolarHBondContact OE2-NH2 3.02Å; R110-L135 HydrophobicContact CB-CB 4.27Å; R110-L135 HydrophobicContact CB-CD1 4.38Å; R110-L135 HydrophobicContact CB-CD2 4.14Å; R110-L135 HydrophobicContact CB-CG 4.49Å; R110-L135 HydrophobicContact CG-CD1 4.18Å; R110-E137 WeakPolarHBondContact CD-O 3.33Å; R110-E137 PolarHBondContact NE-O 3.05Å; R110-A138 PolarHBondContact NE-O 3.3Å; R110-A138 PolarHBondContact NH2-O 3.26Å; R110-V139 HydrophobicContact CG-CG1 3.87Å |
| 111 | K | 97.1 | Very high | 96.3 | Very high | 126 Ų | 126 | 66.8 Ų | 66.8 | 55% | 0.548 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 159.8 | 162.9 | -70.9 | -177.6 | 178.8 | -179.4 | 0 | 109.9 | I92 Q136 | I92-K111 HydrophobicContact CD1-CG 3.92Å; K111-Q136 HydrophobicContact CB-CB 4.16Å; K111-Q136 WeakPolarHBondContact O-CB 3.25Å; K111-Q136 PolarHBondContact O-N 2.85Å |
| 112 | V | 96.4 | Very high | 96.5 | Very high | 12 Ų | 12 | 65 Ų | 65 | 7% | 0.073 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 128.3 | 178.4 | -179.7 | 0 | 0 | 0 | 0 | 109.6 | T88 L91 V93 R114 V115 L133 Q134 | T88-V112 HydrophobicContact CG2-CB 4.32Å; T88-V112 HydrophobicContact CG2-CG1 4.1Å; L91-V112 HydrophobicContact CB-CG2 4.33Å; L91-V112 HydrophobicContact CD2-CB 4.12Å; L91-V112 HydrophobicContact CD2-CG1 4.28Å; L91-V112 HydrophobicContact CD2-CG2 3.74Å; L91-V112 HydrophobicContact CG-CB 4.37Å; L91-V112 HydrophobicContact CG-CG2 3.76Å; V93-V112 HydrophobicContact CG2-CG2 3.42Å; V93-V112 VanDerWaalsContact CG2-CG2 3.42Å; V112-R114 VanDerWaalsContact CG1-O 3.29Å; V112-R114 WeakPolarHBondContact CG1-O 3.23Å; V112-V115 HydrophobicContact CG1-CG2 3.85Å; V112-L133 HydrophobicContact CG1-CB 4.12Å; V112-L133 HydrophobicContact CG2-CD2 4.19Å; V112-Q134 WeakPolarHBondContact CG1-O 3.31Å |
| 113 | S | 94.4 | Very high | 96.6 | Very high | 60 Ų | 60 | 66 Ų | 66 | 42% | 0.42 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | -40 | 176.2 | 59.6 | 0 | 0 | 0 | 0 | 111.9 | Q134 | S113-Q134 PolarHBondContact N-O 2.97Å; S113-Q134 WeakPolarHBondContact OG-CB 3.32Å; S113-Q134 PolarHBondContact OG-O 2.95Å; S113-Q134 VanDerWaalsContact OG-O 3.08Å; S113-Q134 PolarHBondContact OG-OE1 2.8Å |
| 114 | R | 93.6 | Very high | 96.5 | Very high | 102 Ų | 102 | 67.2 Ų | 67.2 | 39% | 0.385 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 148.8 | 175.9 | 58.9 | 175.3 | 175.6 | 169.1 | 1.6 | 112.1 | V112 I116 L133 Q134 | V112-R114 VanDerWaalsContact CG1-O 3.29Å; V112-R114 WeakPolarHBondContact CG1-O 3.23Å; R114-I116 HydrophobicContact CG-CG1 4.42Å; R114-L133 WeakPolarHBondContact O-CA 3.28Å; R114-Q134 HydrophobicContact CG-CB 3.65Å; R114-Q134 PolarHBondContact O-N 3.05Å |
| 115 | V | 96 | Very high | 96.3 | Very high | 38 Ų | 38 | 68.8 Ų | 68.8 | 23% | 0.23 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 133.2 | 168.5 | -178.1 | 0 | 0 | 0 | 0 | 107.5 | F83 T88 L91 V112 L132 L133 | F83-V115 HydrophobicContact CB-CG1 3.99Å; F83-V115 HydrophobicContact CD1-CG1 3.93Å; F83-V115 HydrophobicContact CD1-CG2 4.41Å; F83-V115 HydrophobicContact CD2-CG1 3.82Å; F83-V115 HydrophobicContact CE1-CG1 4.41Å; F83-V115 HydrophobicContact CE2-CG1 4.32Å; F83-V115 HydrophobicContact CG-CG1 3.61Å; T88-V115 HydrophobicContact CG2-CG2 4.03Å; L91-V115 HydrophobicContact CD2-CG2 3.95Å; V112-V115 HydrophobicContact CG1-CG2 3.85Å; V115-L132 CarbonylContact C-O 3.58Å; V115-L132 WeakPolarHBondContact CA-O 3.46Å; V115-L133 HydrophobicContact CG2-CG 4.28Å |
| 116 | I | 96.6 | Very high | 96.2 | Very high | 27 Ų | 27 | 66.5 Ų | 66.5 | 14% | 0.138 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 104.6 | -178.4 | -47.3 | 175.3 | 0 | 0 | 0 | 107.4 | W75 R114 A131 L132 W266 Q270 | W75-I116 HydrophobicContact CH2-CD1 4.01Å; W75-I116 HydrophobicContact CZ3-CD1 4.05Å; R114-I116 HydrophobicContact CG-CG1 4.42Å; I116-A131 CarbonylContact O-C 3.5Å; I116-A131 VanDerWaalsContact O-CA 3.24Å; I116-A131 WeakPolarHBondContact O-CA 3.29Å; I116-L132 HydrophobicContact CB-CB 4.43Å; I116-L132 PolarHBondContact N-O 2.87Å; I116-L132 PolarHBondContact O-N 3.08Å; I116-W266 HydrophobicContact CG2-CZ2 4.14Å; I116-Q270 HydrophobicContact CD1-CB 4.37Å; I116-Q270 HydrophobicContact CD1-CG 4.48Å; I116-Q270 HydrophobicContact CG2-CG 4.3Å |
| 117 | T | 97.3 | Very high | 96.3 | Very high | 61 Ų | 61 | 64.1 Ų | 64.1 | 37% | 0.374 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 150.4 | 171.5 | 54.7 | 0 | 0 | 0 | 0 | 109.9 | A80 F83 A131 | A80-T117 HydrophobicContact CB-CG2 4Å; F83-T117 HydrophobicContact CB-CG2 4.25Å; T117-A131 HydrophobicContact CG2-CB 4.15Å |
| 118 | H | 97.9 | Very high | 96.3 | Very high | 21 Ų | 21 | 62.6 Ų | 62.6 | 10% | 0.097 | 33% | 0.326 | C | S | . | . | trans | -55.6 | 132.9 | 172 | -162.6 | -83.8 | 0 | 0 | 0 | 110.2 | D120 Y121 N128 V130 Y263 W266 | H118-D120 IonicContact CE1-OD2 2.91Å; H118-D120 PolarHBondContact CE1-OD2 2.9Å; H118-D120 PolarHBondContact ND1-N 2.81Å; H118-D120 VanDerWaalsContact ND1-N 3.2Å; H118-D120 PolarHBondContact O-N 2.86Å; H118-Y121 WeakPolarHBondContact O-CB 3.44Å; H118-Y121 PolarHBondContact O-N 3.11Å; H118-Y121 VanDerWaalsContact O-N 3.12Å; H118-N128 HydrophobicContact CB-CB 4.17Å; H118-N128 WeakPolarHBondContact CB-O 3.26Å; H118-V130 HydrophobicContact CB-CG1 3.72Å; H118-V130 PolarHBondContact N-O 2.9Å; H118-Y263 AromaticContact CD2-CD1 3.99Å; H118-W266 HydrophobicContact CB-CZ2 4.31Å; H118-W266 AromaticContact CD2-CD1 3.8Å; H118-W266 AromaticContact CD2-CD2 3.57Å; H118-W266 AromaticContact CD2-CE2 3.8Å; H118-W266 AromaticContact CD2-CG 3.61Å; H118-W266 AromaticContact CD2-NE1 3.9Å; H118-W266 AromaticContact NE2-CD1 3.96Å; H118-W266 AromaticContact NE2-CG 3.86Å | ||
| 119 | P | 97.1 | Very high | 96.3 | Very high | 100 Ų | 100 | 60.2 Ų | 60.2 | 65% | 0.649 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -32.2 | -175.9 | 24 | -34.5 | 0 | 0 | 0 | 112.7 | Y121 | P119-Y121 VanDerWaalsContact C-N 3.33Š|
| 120 | D | 97.8 | Very high | 96.3 | Very high | 108 Ų | 108 | 57.1 Ų | 57.1 | 58% | 0.578 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | 15.8 | 179.3 | -52.7 | -43.4 | 0 | 0 | 0 | 113.6 | H118 N122 N128 | H118-D120 IonicContact CE1-OD2 2.91Å; H118-D120 PolarHBondContact CE1-OD2 2.9Å; H118-D120 PolarHBondContact ND1-N 2.81Å; H118-D120 VanDerWaalsContact ND1-N 3.2Å; H118-D120 PolarHBondContact O-N 2.86Å; D120-N122 PolarHBondContact O-N 3.15Å; D120-N128 PolarHBondContact O-ND2 3.23Å |
| 121 | Y | 97.5 | Very high | 96.3 | Very high | 35 Ų | 35 | 55.4 Ų | 55.4 | 14% | 0.137 | 29% | 0.287 | C | S | . | . | trans | -61.7 | 126.9 | 175.5 | 172.7 | -124.8 | 0 | 0 | 0 | 110.8 | A80 H81 Q84 H118 P119 D123 K126 D127 D129 | A80-Y121 HydrophobicContact CB-CD1 3.46Å; A80-Y121 VanDerWaalsContact CB-CD1 3.46Å; A80-Y121 HydrophobicContact CB-CD2 3.8Å; A80-Y121 HydrophobicContact CB-CE1 3.83Å; A80-Y121 HydrophobicContact CB-CE2 4.21Å; A80-Y121 HydrophobicContact CB-CG 3.46Å; A80-Y121 VanDerWaalsContact CB-CG 3.46Å; H81-Y121 HydrophobicContact CB-CE1 4.43Å; H81-Y121 WeakPolarHBondContact CB-OH 3.36Å; Q84-Y121 HydrophobicContact CG-CE1 3.94Å; Q84-Y121 PolarHBondContact NE2-OH 3.26Å; H118-Y121 WeakPolarHBondContact O-CB 3.44Å; H118-Y121 PolarHBondContact O-N 3.11Å; H118-Y121 VanDerWaalsContact O-N 3.12Å; P119-Y121 VanDerWaalsContact C-N 3.33Å; Y121-D123 PolarHBondContact OH-OD1 3.12Å; Y121-K126 HydrophobicContact CE2-CD 4.47Å; Y121-D127 WeakPolarHBondContact CA-O 3.4Å; Y121-D127 WeakPolarHBondContact CD2-O 3.29Å; Y121-D129 HydrophobicContact CD2-CB 4.03Å; Y121-D129 HydrophobicContact CE2-CB 3.77Å | ||
| 122 | N | 96.1 | Very high | 96.4 | Very high | 65 Ų | 65 | 49.4 Ų | 49.4 | 35% | 0.348 | 26% | 0.261 | S | S | . | . | trans | -115.7 | 118.9 | -179.6 | 179.7 | -66.9 | 0 | 0 | 0 | 110.6 | D120 E124 T125 K126 D127 | D120-N122 PolarHBondContact O-N 3.15Å; N122-E124 PolarHBondContact O-N 3.23Å; N122-E124 PolarHBondContact OD1-N 3.15Å; N122-T125 WeakPolarHBondContact CB-OG1 3.27Å; N122-T125 PolarHBondContact OD1-N 2.86Å; N122-T125 PolarHBondContact OD1-OG1 2.92Å; N122-K126 WeakPolarHBondContact O-CA 3.09Å; N122-K126 PolarHBondContact O-N 2.81Å; N122-D127 PolarHBondContact N-O 2.83Å | ||
| 123 | D | 93.3 | Very high | 96.4 | Very high | 71 Ų | 71 | 48.9 Ų | 48.9 | 38% | 0.38 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -31.1 | -175.4 | -166.7 | 46.3 | 0 | 0 | 0 | 114.3 | Q84 Y121 K126 | Q84-D123 VanDerWaalsContact CD-OD1 3.3Å; Q84-D123 PolarHBondContact NE2-OD1 2.95Å; Q84-D123 PolarHBondContact OE1-OD1 3.35Å; Q84-D123 VanDerWaalsContact OE1-OD1 3.06Å; Y121-D123 PolarHBondContact OH-OD1 3.12Å; D123-K126 WeakPolarHBondContact O-CD 3.44Å; D123-K126 WeakPolarHBondContact O-CE 3.43Å; D123-K126 PolarHBondContact O-NZ 2.9Å; D123-K126 IonicContact OD1-NZ 3.56Å; D123-K126 PolarHBondContact OD1-NZ 2.85Å; D123-K126 IonicContact OD2-NZ 3.37Å |
| 124 | E | 92.1 | Very high | 96.5 | Very high | 184 Ų | 184 | 47.9 Ų | 47.9 | 86% | 0.86 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -42.9 | -176 | -63.4 | -179.7 | 171.3 | 0 | 0 | 111 | N122 | N122-E124 PolarHBondContact O-N 3.23Å; N122-E124 PolarHBondContact OD1-N 3.15Å |
| 125 | T | 94.3 | Very high | 96.7 | Very high | 52 Ų | 52 | 43 Ų | 43 | 32% | 0.319 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -15.7 | -176.7 | 60.6 | 0 | 0 | 0 | 0 | 113.4 | N122 D127 M207 | N122-T125 WeakPolarHBondContact CB-OG1 3.27Å; N122-T125 PolarHBondContact OD1-N 2.86Å; N122-T125 PolarHBondContact OD1-OG1 2.92Å; T125-D127 PolarHBondContact O-N 2.84Å; T125-D127 WeakPolarHBondContact OG1-CB 3.23Å; T125-D127 PolarHBondContact OG1-N 3.27Å; T125-M207 WeakPolarHBondContact O-CE 3.25Å |
| 126 | K | 95.1 | Very high | 96.7 | Very high | 53 Ų | 53 | 46.5 Ų | 46.5 | 23% | 0.23 | 24% | 0.242 | C | C | . | . | trans | 56.9 | 20.4 | -167.4 | -53.2 | -56.8 | -173.3 | -142.3 | 0 | 113.8 | Y121 N122 D123 D129 F244 | Y121-K126 HydrophobicContact CE2-CD 4.47Å; N122-K126 WeakPolarHBondContact O-CA 3.09Å; N122-K126 PolarHBondContact O-N 2.81Å; D123-K126 WeakPolarHBondContact O-CD 3.44Å; D123-K126 WeakPolarHBondContact O-CE 3.43Å; D123-K126 PolarHBondContact O-NZ 2.9Å; D123-K126 IonicContact OD1-NZ 3.56Å; D123-K126 PolarHBondContact OD1-NZ 2.85Å; D123-K126 IonicContact OD2-NZ 3.37Å; K126-D129 WeakPolarHBondContact O-CB 3.36Å; K126-F244 HydrophobicContact CB-CD1 3.57Å; K126-F244 HydrophobicContact CB-CE1 3.77Å; K126-F244 HydrophobicContact CG-CB 4.47Å; K126-F244 HydrophobicContact CG-CD1 3.8Å; K126-F244 HydrophobicContact CG-CE1 4.34Å; K126-F244 HydrophobicContact CG-CG 4.29Å | ||
| 127 | D | 97.6 | Very high | 96.7 | Very high | 29 Ų | 29 | 51.3 Ų | 51.3 | 16% | 0.155 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | 145.4 | 174 | -159.4 | 33.9 | 0 | 0 | 0 | 110.7 | Y121 N122 T125 D129 T204 N206 M207 | Y121-D127 WeakPolarHBondContact CA-O 3.4Å; Y121-D127 WeakPolarHBondContact CD2-O 3.29Å; N122-D127 PolarHBondContact N-O 2.83Å; T125-D127 PolarHBondContact O-N 2.84Å; T125-D127 WeakPolarHBondContact OG1-CB 3.23Å; T125-D127 PolarHBondContact OG1-N 3.27Å; D127-D129 VanDerWaalsContact C-N 3.3Å; D127-D129 PolarHBondContact O-N 3.32Å; D127-T204 HydrophobicContact CB-CG2 4.34Å; D127-T204 PolarHBondContact OD1-OG1 2.96Å; D127-N206 VanDerWaalsContact OD1-CB 3.3Å; D127-N206 WeakPolarHBondContact OD1-CB 3.3Å; D127-N206 PolarHBondContact OD1-ND2 2.64Å; D127-N206 PolarHBondContact OD2-ND2 3.33Å; D127-M207 HydrophobicContact CB-CE 4.15Å |
| 128 | N | 98 | Very high | 96.6 | Very high | 20 Ų | 20 | 50.5 Ų | 50.5 | 11% | 0.107 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 35.4 | -173.8 | -50.5 | -61.3 | 0 | 0 | 0 | 114.7 | H118 D120 V130 N206 Y263 | H118-N128 HydrophobicContact CB-CB 4.17Å; H118-N128 WeakPolarHBondContact CB-O 3.26Å; D120-N128 PolarHBondContact O-ND2 3.23Å; N128-V130 PolarHBondContact O-N 3.48Å; N128-N206 PolarHBondContact OD1-ND2 2.8Å; N128-Y263 WeakPolarHBondContact CA-OH 3.32Å; N128-Y263 HydrophobicContact CB-CE1 4.31Å |
| 129 | D | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -75.5 | 70 | -179.3 | -170.6 | 21.7 | 0 | 0 | 0 | 113.2 | A80 H81 Y121 K126 D127 S243 A258 | A80-D129 WeakPolarHBondContact CA-OD1 3.26Å; A80-D129 PolarHBondContact N-OD1 3.49Å; H81-D129 IonicContact CE1-OD2 3.77Å; H81-D129 IonicContact CG-OD1 2.69Å; H81-D129 IonicContact CG-OD2 3.85Å; H81-D129 PolarHBondContact N-OD1 3.44Å; H81-D129 IonicContact ND1-OD1 3.94Å; H81-D129 PolarHBondContact ND1-OD1 2.94Å; H81-D129 IonicContact ND1-OD2 3.32Å; H81-D129 PolarHBondContact ND1-OD2 2.99Å; Y121-D129 HydrophobicContact CD2-CB 4.03Å; Y121-D129 HydrophobicContact CE2-CB 3.77Å; K126-D129 WeakPolarHBondContact O-CB 3.36Å; D127-D129 VanDerWaalsContact C-N 3.3Å; D127-D129 PolarHBondContact O-N 3.32Å; D129-S243 VanDerWaalsContact OD2-CB 3.28Å; D129-S243 WeakPolarHBondContact OD2-CB 3.4Å; D129-S243 PolarHBondContact OD2-OG 3.47Å; D129-A258 WeakPolarHBondContact O-CB 3.46Å | ||
| 130 | V | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -138.9 | 139.7 | 179.8 | 63.5 | 0 | 0 | 0 | 0 | 111.3 | L77 H118 N128 I241 Y263 W266 | L77-V130 HydrophobicContact CD1-CG2 3.51Å; H118-V130 HydrophobicContact CB-CG1 3.72Å; H118-V130 PolarHBondContact N-O 2.9Å; N128-V130 PolarHBondContact O-N 3.48Å; V130-I241 HydrophobicContact CB-CD1 4.05Å; V130-I241 HydrophobicContact CG2-CD1 3.53Å; V130-Y263 HydrophobicContact CB-CD2 4.43Å; V130-Y263 HydrophobicContact CB-CE2 4.47Å; V130-Y263 HydrophobicContact CB-CG 4.5Å; V130-Y263 HydrophobicContact CG1-CD1 3.63Å; V130-Y263 HydrophobicContact CG1-CD2 4.24Å; V130-Y263 HydrophobicContact CG1-CE1 3.75Å; V130-Y263 HydrophobicContact CG1-CE2 4.35Å; V130-Y263 HydrophobicContact CG1-CG 3.87Å; V130-W266 HydrophobicContact CB-CZ3 4.44Å; V130-W266 HydrophobicContact CG1-CE3 4.14Å; V130-W266 HydrophobicContact CG1-CH2 4.33Å; V130-W266 HydrophobicContact CG1-CZ3 3.86Å; V130-W266 HydrophobicContact CG2-CH2 4.45Å; V130-W266 HydrophobicContact CG2-CZ3 3.77Å | ||
| 131 | A | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 152.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S78 A80 F83 I116 T117 | S78-A131 PolarHBondContact N-O 3.1Å; S78-A131 PolarHBondContact O-N 2.89Å; A80-A131 HydrophobicContact CB-CB 4.49Å; F83-A131 HydrophobicContact CD2-CB 3.69Å; F83-A131 HydrophobicContact CE2-CB 3.73Å; I116-A131 CarbonylContact O-C 3.5Å; I116-A131 VanDerWaalsContact O-CA 3.24Å; I116-A131 WeakPolarHBondContact O-CA 3.29Å; T117-A131 HydrophobicContact CG2-CB 4.15Å |
| 132 | L | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 137.9 | 173.5 | -71.5 | 167.9 | 0 | 0 | 0 | 110 | I71 W75 V76 L77 V115 I116 W266 Q270 L271 | I71-L132 HydrophobicContact CD1-CD2 3.6Å; W75-L132 HydrophobicContact CE3-CB 4.1Å; W75-L132 HydrophobicContact CZ3-CB 3.93Å; V76-L132 WeakPolarHBondContact O-CA 3.41Å; L77-L132 HydrophobicContact CD1-CD2 3.84Å; L77-L132 HydrophobicContact CD1-CG 4.49Å; V115-L132 CarbonylContact C-O 3.58Å; V115-L132 WeakPolarHBondContact CA-O 3.46Å; I116-L132 HydrophobicContact CB-CB 4.43Å; I116-L132 PolarHBondContact N-O 2.87Å; I116-L132 PolarHBondContact O-N 3.08Å; L132-W266 HydrophobicContact CB-CH2 4.34Å; L132-W266 HydrophobicContact CD1-CE3 4.41Å; L132-W266 HydrophobicContact CD1-CH2 3.79Å; L132-W266 HydrophobicContact CD1-CZ2 4.45Å; L132-W266 HydrophobicContact CD1-CZ3 3.75Å; L132-W266 HydrophobicContact CG-CH2 3.77Å; L132-W266 HydrophobicContact CG-CZ3 3.81Å; L132-Q270 HydrophobicContact CD1-CB 3.54Å; L132-Q270 HydrophobicContact CD1-CG 3.86Å; L132-L271 HydrophobicContact CD1-CD1 3.63Å; L132-L271 HydrophobicContact CD2-CD1 4.09Å; L132-L271 HydrophobicContact CG-CD1 4.49Å |
| 133 | L | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 124.1 | 173.2 | -59.2 | 70.9 | 0 | 0 | 0 | 107.7 | L59 W75 V76 F83 L91 V93 V112 R114 V115 | L59-L133 HydrophobicContact CD1-CD2 4.24Å; L59-L133 HydrophobicContact CD2-CD2 3.71Å; W75-L133 WeakPolarHBondContact CA-O 3.4Å; V76-L133 HydrophobicContact CB-CB 4.25Å; V76-L133 HydrophobicContact CG1-CD1 4.46Å; V76-L133 PolarHBondContact N-O 2.93Å; V76-L133 PolarHBondContact O-N 2.84Å; F83-L133 HydrophobicContact CE1-CD2 4.04Å; F83-L133 HydrophobicContact CE1-CG 4.45Å; F83-L133 HydrophobicContact CE2-CD1 3.87Å; F83-L133 HydrophobicContact CZ-CD1 3.63Å; F83-L133 HydrophobicContact CZ-CD2 3.79Å; F83-L133 HydrophobicContact CZ-CG 4.01Å; L91-L133 HydrophobicContact CD2-CD2 3.81Å; V93-L133 HydrophobicContact CG2-CD2 4.31Å; V112-L133 HydrophobicContact CG1-CB 4.12Å; V112-L133 HydrophobicContact CG2-CD2 4.19Å; R114-L133 WeakPolarHBondContact O-CA 3.28Å; V115-L133 HydrophobicContact CG2-CG 4.28Å |
| 134 | Q | 96.4 | Very high | 96.6 | Very high | 40 Ų | 40 | 48 Ų | 48 | 19% | 0.187 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 125.2 | 170.4 | -168.8 | -179.3 | 26.7 | 0 | 0 | 109 | Q74 W75 V112 S113 R114 | Q74-Q134 HydrophobicContact CG-CG 4.4Å; W75-Q134 HydrophobicContact CD2-CB 4.26Å; W75-Q134 HydrophobicContact CD2-CG 4.27Å; W75-Q134 HydrophobicContact CE3-CB 3.96Å; W75-Q134 HydrophobicContact CE3-CG 4.46Å; W75-Q134 HydrophobicContact CH2-CB 3.99Å; W75-Q134 HydrophobicContact CH2-CG 4.29Å; W75-Q134 HydrophobicContact CZ2-CB 4.22Å; W75-Q134 HydrophobicContact CZ2-CG 4.01Å; W75-Q134 HydrophobicContact CZ3-CB 3.81Å; W75-Q134 HydrophobicContact CZ3-CG 4.46Å; V112-Q134 WeakPolarHBondContact CG1-O 3.31Å; S113-Q134 PolarHBondContact N-O 2.97Å; S113-Q134 WeakPolarHBondContact OG-CB 3.32Å; S113-Q134 PolarHBondContact OG-O 2.95Å; S113-Q134 VanDerWaalsContact OG-O 3.08Å; S113-Q134 PolarHBondContact OG-OE1 2.8Å; R114-Q134 HydrophobicContact CG-CB 3.65Å; R114-Q134 PolarHBondContact O-N 3.05Å |
| 135 | L | 97 | Very high | 96.9 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 143.3 | 176.2 | -52.2 | -178.2 | 0 | 0 | 0 | 109.5 | L70 Q74 V76 V93 R110 E137 V139 | L70-L135 HydrophobicContact CD1-CD1 4.38Å; Q74-L135 HydrophobicContact CG-CB 4.03Å; Q74-L135 VanDerWaalsContact CG-O 3.29Å; Q74-L135 WeakPolarHBondContact CG-O 3.23Å; Q74-L135 PolarHBondContact NE2-O 3.08Å; Q74-L135 PolarHBondContact O-N 2.78Å; V76-L135 HydrophobicContact CG2-CD1 4.46Å; V76-L135 HydrophobicContact CG2-CD2 4.02Å; V76-L135 HydrophobicContact CG2-CG 4.47Å; V93-L135 HydrophobicContact CB-CD2 3.97Å; V93-L135 HydrophobicContact CG1-CD2 3.9Å; V93-L135 HydrophobicContact CG2-CD2 3.78Å; R110-L135 HydrophobicContact CB-CB 4.27Å; R110-L135 HydrophobicContact CB-CD1 4.38Å; R110-L135 HydrophobicContact CB-CD2 4.14Å; R110-L135 HydrophobicContact CB-CG 4.49Å; R110-L135 HydrophobicContact CG-CD1 4.18Å; L135-E137 WeakPolarHBondContact CB-O 3.41Å; L135-E137 PolarHBondContact O-N 2.81Å; L135-V139 HydrophobicContact CD1-CG1 3.92Å |
| 136 | Q | 96 | Very high | 97.1 | Very high | 110 Ų | 110 | 39.2 Ų | 39.2 | 51% | 0.514 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -64.8 | -32.3 | 176.6 | -174.5 | 173.5 | -13 | 0 | 0 | 111.6 | K111 | K111-Q136 HydrophobicContact CB-CB 4.16Å; K111-Q136 WeakPolarHBondContact O-CB 3.25Å; K111-Q136 PolarHBondContact O-N 2.85Å |
| 137 | E | 96.2 | Very high | 97.2 | Very high | 128 Ų | 128 | 36.7 Ų | 36.7 | 60% | 0.598 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -133.9 | 144.9 | 176 | -66.3 | 178 | -175.1 | 0 | 0 | 110 | R110 L135 | R110-E137 WeakPolarHBondContact CD-O 3.33Å; R110-E137 PolarHBondContact NE-O 3.05Å; L135-E137 WeakPolarHBondContact CB-O 3.41Å; L135-E137 PolarHBondContact O-N 2.81Å |
| 138 | A | 96.2 | Very high | 97.2 | Very high | 45 Ų | 45 | 35.3 Ų | 35.3 | 37% | 0.372 | 18% | 0.179 | S | C | . | . | P | Polyproline II helix | trans | -61.8 | 151.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | H73 R110 | H73-A138 CarbonylContact O-C 3.58Å; H73-A138 VanDerWaalsContact O-CA 3.29Å; H73-A138 WeakPolarHBondContact O-CA 3.46Å; R110-A138 PolarHBondContact NE-O 3.3Å; R110-A138 PolarHBondContact NH2-O 3.26Å |
| 139 | V | 96.4 | Very high | 97.2 | Very high | 5 Ų | 5 | 34.4 Ų | 34.4 | 3% | 0.03 | 17% | 0.174 | C | C | . | . | P | Polyproline II helix | trans | -97.1 | 146.7 | 170 | -59.7 | 0 | 0 | 0 | 0 | 110.6 | L70 H73 L95 R110 L135 F141 I145 | L70-V139 HydrophobicContact CD1-CG2 4.13Å; L70-V139 HydrophobicContact CD2-CG2 3.79Å; H73-V139 WeakPolarHBondContact O-CG2 3.49Å; H73-V139 PolarHBondContact O-N 3Å; L95-V139 HydrophobicContact CD1-CG1 3.92Å; L95-V139 HydrophobicContact CD2-CG1 4.11Å; L95-V139 HydrophobicContact CD2-CG2 4.44Å; R110-V139 HydrophobicContact CG-CG1 3.87Å; L135-V139 HydrophobicContact CD1-CG1 3.92Å; V139-F141 HydrophobicContact CG2-CD1 4.45Å; V139-F141 HydrophobicContact CG2-CE1 4.25Å; V139-I145 HydrophobicContact CB-CG2 4.28Å; V139-I145 HydrophobicContact CG2-CG2 3.98Å |
| 140 | N | 96 | Very high | 97.2 | Very high | 120 Ų | 120 | 34.5 Ų | 34.5 | 64% | 0.642 | 17% | 0.174 | S | C | * | . | P | Polyproline II helix | trans | -85.2 | 136.6 | 168.9 | -70.4 | -32.5 | 0 | 0 | 0 | 108.9 | ||
| 141 | F | 96.4 | Very high | 97.2 | Very high | 44 Ų | 44 | 34.5 Ų | 34.5 | 19% | 0.193 | 17% | 0.174 | C | C | . | . | P | Polyproline II helix | trans | -76.1 | 132.3 | 175.2 | -59.3 | -31.4 | 0 | 0 | 0 | 110.8 | L24 S25 V28 L70 H73 V139 I145 P147 | L24-F141 HydrophobicContact CD2-CD2 3.8Å; L24-F141 HydrophobicContact CD2-CE2 4.36Å; L24-F141 HydrophobicContact CG-CD2 3.92Å; L24-F141 HydrophobicContact CG-CE2 4.23Å; S25-F141 WeakPolarHBondContact OG-CZ 3.47Å; V28-F141 HydrophobicContact CG2-CD2 3.71Å; V28-F141 HydrophobicContact CG2-CE2 4.01Å; V28-F141 HydrophobicContact CG2-CG 4.39Å; L70-F141 HydrophobicContact CD2-CE1 4.17Å; H73-F141 HydrophobicContact CB-CE1 3.97Å; H73-F141 HydrophobicContact CB-CZ 3.71Å; V139-F141 HydrophobicContact CG2-CD1 4.45Å; V139-F141 HydrophobicContact CG2-CE1 4.25Å; F141-I145 CarbonylContact C-O 3.48Å; F141-I145 VanDerWaalsContact CA-O 3.26Å; F141-I145 WeakPolarHBondContact CA-O 3.31Å; F141-P147 HydrophobicContact CE1-CG 4.11Å; F141-P147 HydrophobicContact CE2-CG 4.21Å; F141-P147 HydrophobicContact CZ-CG 3.76Å |
| 142 | T | 96.8 | Very high | 97.1 | Very high | 51 Ų | 51 | 34.9 Ų | 34.9 | 31% | 0.313 | 18% | 0.177 | S | C | . | . | trans | -130.1 | -171 | 177.9 | 69.7 | 0 | 0 | 0 | 0 | 108.8 | Y144 I145 R146 | T142-Y144 PolarHBondContact O-N 3.05Å; T142-Y144 PolarHBondContact OG1-N 3.19Å; T142-Y144 VanDerWaalsContact OG1-N 3.14Å; T142-I145 PolarHBondContact N-O 3.12Å; T142-I145 PolarHBondContact OG1-N 2.74Å; T142-R146 WeakPolarHBondContact O-CG 3.37Å; T142-R146 PolarHBondContact O-NE 2.92Å | ||
| 143 | D | 96.4 | Very high | 97.1 | Very high | 70 Ų | 70 | 37.3 Ų | 37.3 | 37% | 0.374 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -75.8 | -12.9 | 171.8 | -65.5 | -25.1 | 0 | 0 | 0 | 113.1 | P33 L34 R146 | P33-D143 HydrophobicContact CB-CB 4.33Å; P33-D143 HydrophobicContact CG-CB 4.37Å; L34-D143 HydrophobicContact CD1-CB 4.16Å; L34-D143 HydrophobicContact CD2-CB 4.39Å; L34-D143 HydrophobicContact CG-CB 4.13Å; D143-R146 IonicContact OD1-CZ 2.68Å; D143-R146 IonicContact OD1-NH2 3.88Å; D143-R146 PolarHBondContact OD1-NH2 3.28Å |
| 144 | Y | 97.8 | Very high | 96.8 | Very high | 56 Ų | 56 | 40.8 Ų | 40.8 | 22% | 0.22 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -109.3 | -12.5 | 179.9 | -61.1 | -92.2 | 0 | 0 | 0 | 113.5 | L34 A50 P54 H106 T142 | L34-Y144 HydrophobicContact CD1-CD1 4.03Å; L34-Y144 HydrophobicContact CD1-CD2 4.33Å; L34-Y144 HydrophobicContact CD1-CE1 3.47Å; L34-Y144 VanDerWaalsContact CD1-CE1 3.47Å; L34-Y144 HydrophobicContact CD1-CE2 3.81Å; L34-Y144 HydrophobicContact CD1-CG 4.42Å; A50-Y144 HydrophobicContact CB-CE1 4.25Å; P54-Y144 VanDerWaalsContact CA-O 3.31Å; P54-Y144 WeakPolarHBondContact CA-O 3.26Å; P54-Y144 WeakPolarHBondContact CB-O 3.26Å; H106-Y144 HydrophobicContact CB-CD1 3.92Å; H106-Y144 HydrophobicContact CB-CD2 3.77Å; H106-Y144 HydrophobicContact CB-CE1 4.49Å; H106-Y144 HydrophobicContact CB-CE2 4.36Å; H106-Y144 HydrophobicContact CB-CG 3.53Å; H106-Y144 AromaticContact CD2-CD1 3.63Å; H106-Y144 AromaticContact CD2-CD2 3.89Å; H106-Y144 AromaticContact CD2-CE1 3.31Å; H106-Y144 WeakPolarHBondContact CD2-CE1 3.3Å; H106-Y144 AromaticContact CD2-CE2 3.6Å; H106-Y144 AromaticContact CD2-CG 3.91Å; H106-Y144 AromaticContact CD2-CZ 3.29Å; H106-Y144 AromaticContact CE1-CE2 3.49Å; H106-Y144 VanDerWaalsContact CE1-CE2 3.49Å; H106-Y144 WeakPolarHBondContact CE1-CE2 3.32Å; H106-Y144 AromaticContact CE1-CZ 3.68Å; H106-Y144 AromaticContact CG-CD1 3.81Å; H106-Y144 AromaticContact CG-CD2 3.46Å; H106-Y144 VanDerWaalsContact CG-CD2 3.46Å; H106-Y144 AromaticContact CG-CE1 3.89Å; H106-Y144 AromaticContact CG-CE2 3.55Å; H106-Y144 AromaticContact CG-CG 3.61Å; H106-Y144 AromaticContact CG-CZ 3.77Å; H106-Y144 AromaticContact ND1-CD2 3.64Å; H106-Y144 AromaticContact ND1-CE2 3.49Å; H106-Y144 WeakPolarHBondContact ND1-CE2 3.45Å; H106-Y144 AromaticContact ND1-CZ 3.99Å; H106-Y144 AromaticContact NE2-CE1 3.77Å; H106-Y144 AromaticContact NE2-CE2 3.58Å; H106-Y144 AromaticContact NE2-CZ 3.27Å; H106-Y144 VanDerWaalsContact NE2-CZ 3.27Å; H106-Y144 PolarHBondContact NE2-OH 3.09Å; T142-Y144 PolarHBondContact O-N 3.05Å; T142-Y144 PolarHBondContact OG1-N 3.19Å; T142-Y144 VanDerWaalsContact OG1-N 3.14Å |
| 145 | I | 98.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | trans | -131.7 | 104.1 | -179.1 | -57.1 | 175.4 | 0 | 0 | 0 | 108.2 | P54 L70 L95 E108 V139 F141 T142 | P54-I145 WeakPolarHBondContact O-CA 3.13Å; L70-I145 HydrophobicContact CD2-CG2 3.72Å; L95-I145 HydrophobicContact CB-CD1 4.01Å; L95-I145 HydrophobicContact CB-CG1 4.04Å; L95-I145 HydrophobicContact CB-CG2 4.15Å; L95-I145 HydrophobicContact CD2-CG2 4.08Å; E108-I145 HydrophobicContact CB-CD1 3.78Å; E108-I145 HydrophobicContact CG-CD1 3.67Å; V139-I145 HydrophobicContact CB-CG2 4.28Å; V139-I145 HydrophobicContact CG2-CG2 3.98Å; F141-I145 CarbonylContact C-O 3.48Å; F141-I145 VanDerWaalsContact CA-O 3.26Å; F141-I145 WeakPolarHBondContact CA-O 3.31Å; T142-I145 PolarHBondContact N-O 3.12Å; T142-I145 PolarHBondContact OG1-N 2.74Å | ||
| 146 | R | 97.3 | Very high | 96.6 | Very high | 51 Ų | 51 | 43.3 Ų | 43.3 | 19% | 0.192 | 25% | 0.249 | C | C | . | . | trans | -146.4 | 149.8 | 177.6 | -64.8 | -165.6 | 177.5 | -154.9 | 1.9 | 110.5 | T31 P33 P54 W55 T142 D143 | T31-R146 WeakPolarHBondContact OG1-CD 3.07Å; T31-R146 PolarHBondContact OG1-NH1 3.02Å; P33-R146 VanDerWaalsContact CG-NE 3.34Å; P33-R146 VanDerWaalsContact CG-NH2 3.31Å; P54-R146 CarbonylContact C-O 3.59Å; P54-R146 HydrophobicContact CB-CB 4.02Å; P54-R146 HydrophobicContact CB-CG 4.31Å; P54-R146 HydrophobicContact CG-CB 3.95Å; P54-R146 HydrophobicContact CG-CG 4.4Å; P54-R146 PolarHBondContact O-N 3.17Å; W55-R146 WeakPolarHBondContact CA-O 3.35Å; W55-R146 VanDerWaalsContact CB-O 3.25Å; W55-R146 WeakPolarHBondContact CB-O 3.41Å; W55-R146 PolarHBondContact N-O 3.33Å; T142-R146 WeakPolarHBondContact O-CG 3.37Å; T142-R146 PolarHBondContact O-NE 2.92Å; D143-R146 IonicContact OD1-CZ 2.68Å; D143-R146 IonicContact OD1-NH2 3.88Å; D143-R146 PolarHBondContact OD1-NH2 3.28Å | ||
| 147 | P | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -73.4 | 152 | 176.9 | 30 | -31.1 | 0 | 0 | 0 | 111.1 | V28 C29 G30 L70 F141 | V28-P147 HydrophobicContact CG2-CG 4.25Å; C29-P147 CarbonylContact C-O 3.52Å; C29-P147 VanDerWaalsContact CA-O 3.24Å; C29-P147 WeakPolarHBondContact CA-O 3.3Å; C29-P147 HydrophobicContact CB-CG 4.35Å; G30-P147 PolarHBondContact N-O 3.26Å; L70-P147 CarbonylContact O-C 3.43Å; L70-P147 WeakPolarHBondContact O-CA 3.32Å; F141-P147 HydrophobicContact CE1-CG 4.11Å; F141-P147 HydrophobicContact CE2-CG 4.21Å; F141-P147 HydrophobicContact CZ-CG 3.76Å |
| 148 | V | 98.2 | Very high | 96.4 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -85.1 | 152.5 | 165.9 | 70.9 | 0 | 0 | 0 | 0 | 109.9 | W55 L70 I71 V229 Q238 | W55-V148 HydrophobicContact CB-CB 3.81Å; W55-V148 HydrophobicContact CB-CG1 4.4Å; W55-V148 HydrophobicContact CD2-CB 3.7Å; W55-V148 HydrophobicContact CD2-CG2 3.88Å; W55-V148 HydrophobicContact CE3-CB 4.1Å; W55-V148 HydrophobicContact CE3-CG2 4.3Å; W55-V148 HydrophobicContact CG-CB 3.58Å; W55-V148 HydrophobicContact CG-CG1 4.42Å; W55-V148 HydrophobicContact CG-CG2 4.12Å; W55-V148 HydrophobicContact CZ2-CG2 4.36Å; L70-V148 PolarHBondContact O-N 3.3Å; I71-V148 HydrophobicContact CG2-CG1 4.28Å; V148-V229 HydrophobicContact CG2-CG1 3.81Å; V148-Q238 HydrophobicContact CG1-CB 3.99Å; V148-Q238 HydrophobicContact CG2-CB 4.08Å |
| 149 | C | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 148.8 | 167.5 | -55.9 | 0 | 0 | 0 | 0 | 109.8 | C29 R235 W236 V237 Q238 G277 V279 | C29-C149 HydrophobicContact CB-CB 4.03Å; C29-C149 WeakPolarHBondContact CB-SG 3.33Å; C29-C149 PolarHBondContact O-SG 3.41Å; C29-C149 VanDerWaalsContact SG-CA 3.57Å; C29-C149 WeakPolarHBondContact SG-CB 3.48Å; C29-C149 CovalentContact SG-SG 2.06Å; C29-C149 PolarHBondContact SG-SG 2.85Å; C149-R235 VanDerWaalsContact SG-CD 3.57Å; C149-W236 WeakPolarHBondContact CB-O 3.48Å; C149-W236 PolarHBondContact N-O 3.2Å; C149-V237 HydrophobicContact CB-CG2 4.36Å; C149-V237 CarbonylContact O-C 3.55Å; C149-V237 WeakPolarHBondContact O-CA 3.28Å; C149-Q238 PolarHBondContact O-N 2.81Å; C149-G277 CarbonylContact C-O 3.51Å; C149-G277 VanDerWaalsContact CA-O 3.26Å; C149-G277 WeakPolarHBondContact CA-O 3.25Å; C149-G277 VanDerWaalsContact CB-O 3.26Å; C149-G277 WeakPolarHBondContact CB-O 3.18Å; C149-V279 HydrophobicContact CB-CB 4.41Å; C149-V279 HydrophobicContact CB-CG2 3.79Å |
| 150 | L | 98.1 | Very high | 96.1 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 143.8 | 177.2 | -64.7 | 178.4 | 0 | 0 | 0 | 110.7 | I71 L77 A152 Q238 V260 I267 L276 G277 F278 V279 | I71-L150 HydrophobicContact CB-CD1 4.29Å; I71-L150 HydrophobicContact CD1-CD1 4.27Å; I71-L150 HydrophobicContact CG2-CD1 4.23Å; I71-L150 HydrophobicContact CG2-CD2 3.74Å; I71-L150 HydrophobicContact CG2-CG 4.21Å; L77-L150 HydrophobicContact CD2-CD2 3.69Å; L150-A152 PolarHBondContact O-N 3.1Å; L150-Q238 HydrophobicContact CD2-CB 4.23Å; L150-V260 HydrophobicContact CB-CG1 4.12Å; L150-V260 HydrophobicContact CD2-CG1 3.92Å; L150-I267 HydrophobicContact CD1-CD1 4.17Å; L150-I267 HydrophobicContact CD1-CG2 4.13Å; L150-L276 HydrophobicContact CD1-CD1 4.41Å; L150-L276 HydrophobicContact CD1-CD2 4.38Å; L150-G277 PolarHBondContact N-O 2.01Å; L150-F278 HydrophobicContact CB-CD1 3.57Å; L150-F278 HydrophobicContact CB-CE1 3.51Å; L150-F278 HydrophobicContact CB-CG 4.38Å; L150-F278 HydrophobicContact CB-CZ 4.29Å; L150-F278 HydrophobicContact CD1-CE1 3.86Å; L150-F278 HydrophobicContact CD1-CZ 3.83Å; L150-F278 HydrophobicContact CG-CE1 4.35Å; L150-F278 CarbonylContact O-C 3.58Å; L150-F278 WeakPolarHBondContact O-CA 3.5Å; L150-V279 PolarHBondContact O-N 3.14Å |
| 151 | A | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 121.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110 | F157 V237 Q238 V260 S261 | A151-F157 HydrophobicContact CB-CE2 3.73Å; A151-F157 HydrophobicContact CB-CZ 3.74Å; A151-V237 HydrophobicContact CB-CG1 3.98Å; A151-Q238 VanDerWaalsContact CB-O 3.26Å; A151-Q238 WeakPolarHBondContact CB-O 3.5Å; A151-Q238 PolarHBondContact N-O 3.1Å; A151-Q238 VanDerWaalsContact N-O 3.1Å; A151-V260 HydrophobicContact CB-CB 4.4Å; A151-V260 HydrophobicContact CB-CG1 4.31Å; A151-S261 WeakPolarHBondContact O-CA 3Å |
| 152 | A | 97 | Very high | 95.9 | Very high | 8 Ų | 8 | 31.8 Ų | 31.8 | 7% | 0.066 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -68.7 | 156.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L150 G154 S155 S261 F278 V279 | L150-A152 PolarHBondContact O-N 3.1Å; A152-G154 PolarHBondContact O-N 3.33Å; A152-S155 PolarHBondContact N-OG 3.48Å; A152-S155 WeakPolarHBondContact O-CB 3.18Å; A152-S155 PolarHBondContact O-N 3.17Å; A152-S155 PolarHBondContact O-OG 3.24Å; A152-S261 VanDerWaalsContact O-CB 3.26Å; A152-S261 WeakPolarHBondContact O-CB 3.41Å; A152-F278 HydrophobicContact CB-CB 4.12Å; A152-V279 PolarHBondContact N-O 3.34Å |
| 153 | A | 96.3 | Very high | 95.7 | Very high | 52 Ų | 52 | 29.3 Ų | 29.3 | 43% | 0.43 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | 135.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110 | S155 S261 Q264 | A153-S155 VanDerWaalsContact C-N 3.28Å; A153-S155 PolarHBondContact O-N 3.28Å; A153-S261 WeakPolarHBondContact CA-O 3.02Å; A153-Q264 HydrophobicContact CB-CB 4.25Å |
| 154 | G | 93 | Very high | 95.6 | Very high | 72 Ų | 72 | 27.5 Ų | 27.5 | 74% | 0.742 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | 1.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | A152 | A152-G154 PolarHBondContact O-N 3.33Š|
| 155 | S | 96.3 | Very high | 95.4 | Very high | 10 Ų | 10 | 25.3 Ų | 25.3 | 7% | 0.07 | 17% | 0.171 | C | C | . | . | trans | -65.5 | 137.8 | 167.8 | -61.7 | 0 | 0 | 0 | 0 | 110.8 | A152 A153 V279 F281 | A152-S155 PolarHBondContact N-OG 3.48Å; A152-S155 WeakPolarHBondContact O-CB 3.18Å; A152-S155 PolarHBondContact O-N 3.17Å; A152-S155 PolarHBondContact O-OG 3.24Å; A153-S155 VanDerWaalsContact C-N 3.28Å; A153-S155 PolarHBondContact O-N 3.28Å; S155-V279 PolarHBondContact OG-O 2.79Å; S155-F281 CarbonylContact C-O 3.51Å; S155-F281 VanDerWaalsContact CA-O 3.26Å; S155-F281 WeakPolarHBondContact CA-O 3.12Å; S155-F281 PolarHBondContact OG-N 3.35Å | ||
| 156 | D | 91.3 | Very high | 95.3 | Very high | 83 Ų | 83 | 25.4 Ų | 25.4 | 44% | 0.444 | 17% | 0.172 | S | C | . | . | B | Isolated β-bridge | trans | -124.3 | 126.3 | -178 | -168 | 14.8 | 0 | 0 | 0 | 111.1 | L158 F281 G283 | D156-L158 VanDerWaalsContact OD2-CD2 3.28Å; D156-L158 WeakPolarHBondContact OD2-CD2 3.42Å; D156-F281 PolarHBondContact N-O 2.98Å; D156-G283 PolarHBondContact O-N 2.77Å |
| 157 | F | 95.1 | Very high | 95.1 | Very high | 7 Ų | 7 | 23.2 Ų | 23.2 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | trans | -116.1 | 95.7 | -179.4 | -61.7 | -87.8 | 0 | 0 | 0 | 107.2 | A151 Q161 V190 I208 F281 | A151-F157 HydrophobicContact CB-CE2 3.73Å; A151-F157 HydrophobicContact CB-CZ 3.74Å; F157-Q161 HydrophobicContact CD1-CG 4.4Å; F157-V190 HydrophobicContact CB-CG2 4.32Å; F157-V190 WeakPolarHBondContact O-CG1 3.37Å; F157-I208 HydrophobicContact CB-CD1 3.86Å; F157-I208 HydrophobicContact CD2-CD1 4.3Å; F157-I208 HydrophobicContact CG-CD1 4.25Å; F157-F281 AromaticContact CD1-CD1 3.53Å; F157-F281 HydrophobicContact CD1-CD1 3.53Å; F157-F281 AromaticContact CD1-CE1 3.7Å; F157-F281 HydrophobicContact CD1-CE1 3.7Å; F157-F281 HydrophobicContact CD1-CG 4.02Å; F157-F281 HydrophobicContact CD1-CZ 4.32Å; F157-F281 HydrophobicContact CE1-CB 3.77Å; F157-F281 AromaticContact CE1-CD1 3.36Å; F157-F281 HydrophobicContact CE1-CD1 3.36Å; F157-F281 AromaticContact CE1-CD2 3.76Å; F157-F281 HydrophobicContact CE1-CD2 3.76Å; F157-F281 AromaticContact CE1-CE1 3.82Å; F157-F281 HydrophobicContact CE1-CE1 3.82Å; F157-F281 HydrophobicContact CE1-CE2 4.15Å; F157-F281 AromaticContact CE1-CG 3.34Å; F157-F281 HydrophobicContact CE1-CG 3.34Å; F157-F281 HydrophobicContact CE1-CZ 4.19Å; F157-F281 HydrophobicContact CE2-CB 4.38Å; F157-F281 HydrophobicContact CG-CD1 4.3Å; F157-F281 HydrophobicContact CZ-CB 3.62Å; F157-F281 HydrophobicContact CZ-CD1 4.05Å; F157-F281 HydrophobicContact CZ-CD2 4.35Å; F157-F281 AromaticContact CZ-CG 3.77Å; F157-F281 HydrophobicContact CZ-CG 3.77Å | ||
| 158 | L | 94 | Very high | 94.8 | Very high | 51 Ų | 51 | 23.9 Ų | 23.9 | 27% | 0.267 | 17% | 0.167 | S | C | . | . | trans | -68.1 | 154.4 | -175.2 | -60.6 | 179.3 | 0 | 0 | 0 | 111.6 | D156 G160 Q161 G283 P285 | D156-L158 VanDerWaalsContact OD2-CD2 3.28Å; D156-L158 WeakPolarHBondContact OD2-CD2 3.42Å; L158-G160 PolarHBondContact O-N 3.47Å; L158-Q161 WeakPolarHBondContact O-CB 3.25Å; L158-Q161 PolarHBondContact O-N 2.85Å; L158-G283 WeakPolarHBondContact CD1-O 3.43Å; L158-P285 HydrophobicContact CD1-CB 4.29Å; L158-P285 HydrophobicContact CD1-CG 3.98Å | ||
| 159 | A | 94.4 | Very high | 93.8 | Very high | 54 Ų | 54 | 24 Ų | 24 | 45% | 0.446 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 136.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q161 V190 | A159-Q161 VanDerWaalsContact C-N 3.28Å; A159-V190 CarbonylContact C-O 3.43Å; A159-V190 WeakPolarHBondContact CA-O 3.47Å |
| 160 | G | 92.5 | Very high | 92.3 | Very high | 29 Ų | 29 | 26 Ų | 26 | 30% | 0.299 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | -4.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L158 S162 V190 | L158-G160 PolarHBondContact O-N 3.47Å; G160-S162 PolarHBondContact O-N 2.95Å; G160-V190 PolarHBondContact N-O 2.84Å |
| 161 | Q | 93.8 | Very high | 90.3 | Very high | 31 Ų | 31 | 29 Ų | 29 | 15% | 0.145 | 20% | 0.197 | C | C | . | . | trans | -60.1 | 120.5 | 170.8 | 175 | 59.2 | 60 | 0 | 0 | 109.5 | F157 L158 A159 S163 V190 F281 | F157-Q161 HydrophobicContact CD1-CG 4.4Å; L158-Q161 WeakPolarHBondContact O-CB 3.25Å; L158-Q161 PolarHBondContact O-N 2.85Å; A159-Q161 VanDerWaalsContact C-N 3.28Å; Q161-S163 PolarHBondContact O-N 2.83Å; Q161-V190 HydrophobicContact CB-CB 4.22Å; Q161-V190 HydrophobicContact CB-CG2 4.08Å; Q161-V190 HydrophobicContact CG-CG2 4.47Å; Q161-V190 WeakPolarHBondContact O-CG2 3.39Å; Q161-V190 PolarHBondContact O-N 2.9Å; Q161-F281 HydrophobicContact CG-CE1 4.11Å; Q161-F281 HydrophobicContact CG-CZ 4.27Å | ||
| 162 | S | 92.8 | Very high | 88.3 | Confident | 38 Ų | 38 | 36.7 Ų | 36.7 | 27% | 0.266 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 131.5 | 174.8 | 166.6 | 0 | 0 | 0 | 0 | 110.4 | G160 E187 | G160-S162 PolarHBondContact O-N 2.95Å; S162-E187 WeakPolarHBondContact CB-OE1 3.26Å; S162-E187 WeakPolarHBondContact OG-CG 3.29Å; S162-E187 PolarHBondContact OG-OE1 2.83Å |
| 163 | S | 94 | Very high | 86.4 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 155.7 | 175.2 | -57.9 | 0 | 0 | 0 | 0 | 110.1 | Q161 E187 I188 V229 S230 | Q161-S163 PolarHBondContact O-N 2.83Å; S163-E187 CarbonylContact O-C 3.51Å; S163-E187 WeakPolarHBondContact O-CA 3.45Å; S163-I188 PolarHBondContact N-O 2.9Å; S163-I188 PolarHBondContact O-N 3Å; S163-V229 CarbonylContact C-O 3.57Å; S163-V229 VanDerWaalsContact CA-O 3.29Å; S163-V229 WeakPolarHBondContact CA-O 3.43Å; S163-S230 PolarHBondContact OG-OG 2.86Å |
| 164 | W | 94.3 | Very high | 84.5 | Confident | 32 Ų | 32 | 46 Ų | 46 | 12% | 0.121 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 136.9 | 179.1 | -73.1 | 74.7 | 0 | 0 | 0 | 109.9 | W53 E185 A186 E187 M228 V229 W236 | W53-W164 HydrophobicContact CH2-CB 3.52Å; W53-W164 AromaticContact CH2-CD2 3.87Å; W53-W164 HydrophobicContact CH2-CD2 3.87Å; W53-W164 HydrophobicContact CH2-CE3 4.15Å; W53-W164 AromaticContact CH2-CG 3.6Å; W53-W164 HydrophobicContact CH2-CG 3.6Å; W53-W164 HydrophobicContact CZ2-CB 4.06Å; W53-W164 AromaticContact CZ2-CD2 3.89Å; W53-W164 HydrophobicContact CZ2-CD2 3.89Å; W53-W164 AromaticContact CZ2-CE3 3.68Å; W53-W164 HydrophobicContact CZ2-CE3 3.68Å; W53-W164 HydrophobicContact CZ2-CG 4.08Å; W53-W164 HydrophobicContact CZ2-CZ3 4.41Å; W53-W164 HydrophobicContact CZ3-CB 4.2Å; W164-E185 HydrophobicContact CE3-CB 4.05Å; W164-E185 HydrophobicContact CE3-CG 4.41Å; W164-E185 HydrophobicContact CZ3-CB 4.08Å; W164-E185 HydrophobicContact CZ3-CG 3.92Å; W164-A186 WeakPolarHBondContact CA-O 3.07Å; W164-E187 HydrophobicContact CD2-CB 4.07Å; W164-E187 HydrophobicContact CE3-CB 4.32Å; W164-E187 HydrophobicContact CH2-CB 4.1Å; W164-E187 HydrophobicContact CZ2-CB 3.79Å; W164-E187 HydrophobicContact CZ2-CG 4.2Å; W164-E187 HydrophobicContact CZ3-CB 4.34Å; W164-M228 CarbonylContact O-C 3.55Å; W164-M228 WeakPolarHBondContact O-CA 3.25Å; W164-V229 HydrophobicContact CB-CG2 4.03Å; W164-V229 PolarHBondContact N-O 3.22Å; W164-V229 PolarHBondContact O-N 3.09Å; W164-W236 HydrophobicContact CB-CZ3 4.32Å; W164-W236 AromaticContact CD1-CH2 3.55Å; W164-W236 AromaticContact CD1-CZ3 3.54Å; W164-W236 HydrophobicContact CG-CH2 4.11Å; W164-W236 HydrophobicContact CG-CZ3 4.07Å; W164-W236 AromaticContact NE1-CH2 3.86Å |
| 165 | I | 93.9 | Very high | 83.1 | Confident | 9 Ų | 9 | 42.7 Ų | 42.7 | 5% | 0.046 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 147.9 | 170.3 | 56 | 164.4 | 0 | 0 | 0 | 109.3 | E185 A186 I188 D218 M228 Y257 | I165-E185 WeakPolarHBondContact O-CA 3.36Å; I165-A186 HydrophobicContact CD1-CB 4.34Å; I165-A186 HydrophobicContact CG1-CB 3.97Å; I165-A186 WeakPolarHBondContact CG1-O 3.32Å; I165-A186 PolarHBondContact N-O 3.36Å; I165-A186 PolarHBondContact O-N 3.06Å; I165-I188 HydrophobicContact CD1-CD1 4.05Å; I165-I188 HydrophobicContact CG1-CD1 4.14Å; I165-I188 HydrophobicContact CG2-CD1 3.65Å; I165-I188 HydrophobicContact CG2-CG1 4.29Å; I165-D218 VanDerWaalsContact CD1-C 3.43Å; I165-M228 HydrophobicContact CG2-CB 3.89Å; I165-M228 HydrophobicContact CG2-CG 3.81Å; I165-M228 HydrophobicContact CG2-SD 4.49Å; I165-Y257 HydrophobicContact CG2-CE1 3.73Å |
| 166 | T | 94.4 | Very high | 81.8 | Confident | 4 Ų | 4 | 46 Ų | 46 | 3% | 0.025 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 143.9 | -177.2 | 52.5 | 0 | 0 | 0 | 0 | 111.2 | W53 Q56 Q184 E185 | W53-T166 HydrophobicContact CB-CG2 4.34Å; W53-T166 VanDerWaalsContact CD1-CG2 3.49Å; W53-T166 HydrophobicContact CD2-CG2 3.58Å; W53-T166 HydrophobicContact CE3-CG2 4.3Å; W53-T166 HydrophobicContact CG-CG2 3.55Å; W53-T166 HydrophobicContact CZ2-CG2 4.26Å; Q56-T166 PolarHBondContact OE1-O 3.39Å; Q56-T166 PolarHBondContact OE1-OG1 3.14Å; T166-Q184 VanDerWaalsContact CA-O 3.26Å; T166-Q184 WeakPolarHBondContact CA-O 3.32Å; T166-E185 HydrophobicContact CG2-CB 3.98Å |
| 167 | G | 93.6 | Very high | 81.2 | Confident | 4 Ų | 4 | 42.5 Ų | 42.5 | 4% | 0.041 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.8 | -178.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q184 D223 | G167-Q184 PolarHBondContact N-O 3.2Å; G167-Q184 VanDerWaalsContact N-O 3.16Å; G167-Q184 PolarHBondContact O-N 2.87Å; G167-D223 WeakPolarHBondContact CA-OD1 3.35Å |
| 168 | W | 91.3 | Very high | 80.6 | Confident | 14 Ų | 14 | 46.7 Ų | 46.7 | 5% | 0.053 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -112.5 | 15.7 | -180 | -65.7 | -84.2 | 0 | 0 | 0 | 112.3 | Q56 R97 H98 Q100 L177 Q181 L183 D223 | Q56-W168 HydrophobicContact CG-CE3 4.47Å; Q56-W168 HydrophobicContact CG-CH2 3.49Å; Q56-W168 VanDerWaalsContact CG-CH2 3.49Å; Q56-W168 HydrophobicContact CG-CZ3 3.46Å; Q56-W168 VanDerWaalsContact CG-CZ3 3.46Å; R97-W168 HydrophobicContact CB-CH2 4.41Å; R97-W168 HydrophobicContact CB-CZ2 4.37Å; R97-W168 HydrophobicContact CG-CH2 4.38Å; R97-W168 HydrophobicContact CG-CZ2 3.99Å; R97-W168 VanDerWaalsContact O-CZ2 3.32Å; R97-W168 WeakPolarHBondContact O-CZ2 3.49Å; H98-W168 PolarHBondContact O-NE1 3.04Å; H98-W168 VanDerWaalsContact O-NE1 3.17Å; Q100-W168 HydrophobicContact CG-CB 4.09Å; Q100-W168 HydrophobicContact CG-CG 3.86Å; Q100-W168 VanDerWaalsContact NE2-CG 3.32Å; W168-L177 HydrophobicContact CB-CD1 4.1Å; W168-L177 WeakPolarHBondContact O-CD1 3.49Å; W168-Q181 PolarHBondContact NE1-O 2.87Å; W168-L183 HydrophobicContact CD2-CD1 3.84Å; W168-L183 HydrophobicContact CE3-CD1 4.01Å; W168-L183 HydrophobicContact CH2-CD1 3.93Å; W168-L183 HydrophobicContact CZ2-CB 3.77Å; W168-L183 HydrophobicContact CZ2-CD1 3.74Å; W168-L183 HydrophobicContact CZ2-CD2 4.3Å; W168-L183 HydrophobicContact CZ2-CG 4.14Å; W168-L183 HydrophobicContact CZ3-CD1 4.06Å; W168-L183 VanDerWaalsContact NE1-CA 3.26Å; W168-L183 VanDerWaalsContact NE1-N 3.12Å; W168-D223 PolarHBondContact N-OD1 2.88Å |
| 169 | G | 78.2 | Confident | 80.2 | Confident | 4 Ų | 4 | 51.7 Ų | 51.7 | 4% | 0.041 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -63.7 | 172.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q221 D223 | G169-Q221 CarbonylContact C-O 3.57Å; G169-Q221 WeakPolarHBondContact CA-O 3.37Å; G169-D223 VanDerWaalsContact CA-OD1 3.3Å; G169-D223 WeakPolarHBondContact CA-OD1 3.49Å; G169-D223 PolarHBondContact N-OD1 3.25Å |
| 170 | N | 65.2 | Low | 80 | Confident | 43 Ų | 43 | 50.7 Ų | 50.7 | 23% | 0.23 | 26% | 0.264 | C | S | . | . | trans | -60.2 | 139.9 | -177.6 | -68.3 | -24.5 | 0 | 0 | 0 | 111.4 | R172 G175 P176 C220 Q221 | N170-R172 VanDerWaalsContact CB-O 3.25Å; N170-R172 WeakPolarHBondContact CB-O 3.3Å; N170-R172 PolarHBondContact O-N 3.21Å; N170-G175 VanDerWaalsContact CA-O 3.29Å; N170-G175 WeakPolarHBondContact CA-O 3.4Å; N170-G175 WeakPolarHBondContact CB-O 3.36Å; N170-G175 PolarHBondContact OD1-O 2.92Å; N170-P176 WeakPolarHBondContact OD1-CA 3.26Å; N170-C220 HydrophobicContact CB-CB 4.38Å; N170-C220 WeakPolarHBondContact O-CB 3.05Å; N170-C220 PolarHBondContact O-SG 3.1Å; N170-C220 VanDerWaalsContact O-SG 3.39Å; N170-Q221 PolarHBondContact N-O 2.95Å | ||
| 171 | V | 56.8 | Low | 79.9 | Confident | 63 Ų | 63 | 51.2 Ų | 51.2 | 38% | 0.382 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -79.2 | -4.6 | 176.4 | -73 | 0 | 0 | 0 | 0 | 113.8 | G175 L177 | V171-G175 PolarHBondContact N-O 2.93Å; V171-L177 HydrophobicContact CG1-CD2 3.26Å; V171-L177 HydrophobicContact CG1-CG 4.15Å |
| 172 | R | 57.2 | Low | 79.9 | Confident | 163 Ų | 163 | 50.2 Ų | 50.2 | 62% | 0.615 | 25% | 0.254 | S | S | * | . | B | Isolated β-bridge | trans | -160.3 | 159.6 | 177.1 | 55.7 | -179.1 | 173.5 | -101.3 | -0.8 | 108.3 | N170 Q174 G175 | N170-R172 VanDerWaalsContact CB-O 3.25Å; N170-R172 WeakPolarHBondContact CB-O 3.3Å; N170-R172 PolarHBondContact O-N 3.21Å; R172-Q174 PolarHBondContact O-N 2.8Å; R172-G175 PolarHBondContact O-N 3.11Å |
| 173 | F | 55.6 | Low | 79.9 | Confident | 101 Ų | 101 | 48.8 Ų | 48.8 | 44% | 0.443 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50 | 116.8 | 173 | -171 | -107.1 | 0 | 0 | 0 | 110.1 | G175 E247 | F173-G175 PolarHBondContact O-N 3.27Å; F173-E247 HydrophobicContact CD2-CB 4.36Å; F173-E247 HydrophobicContact CD2-CG 4.43Å; F173-E247 HydrophobicContact CE2-CG 4.48Å |
| 174 | Q | 57.5 | Low | 79.8 | Confident | 153 Ų | 153 | 50.2 Ų | 50.2 | 72% | 0.715 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | 28.2 | -179.2 | -53.8 | -175.9 | -0.1 | 0 | 0 | 117.6 | R172 | R172-Q174 PolarHBondContact O-N 2.8Š|
| 175 | G | 63.1 | Low | 79.7 | Confident | 3 Ų | 3 | 48.8 Ų | 48.8 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -122.4 | 114.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | N170 V171 R172 F173 | N170-G175 VanDerWaalsContact CA-O 3.29Å; N170-G175 WeakPolarHBondContact CA-O 3.4Å; N170-G175 WeakPolarHBondContact CB-O 3.36Å; N170-G175 PolarHBondContact OD1-O 2.92Å; V171-G175 PolarHBondContact N-O 2.93Å; R172-G175 PolarHBondContact O-N 3.11Å; F173-G175 PolarHBondContact O-N 3.27Å |
| 176 | P | 69.1 | Low | 79.4 | Confident | 81 Ų | 81 | 48.9 Ų | 48.9 | 53% | 0.526 | 25% | 0.247 | S | C | . | . | P | Polyproline II helix | trans | -63.2 | 157 | 177.2 | 28.3 | -34.4 | 0 | 0 | 0 | 110.6 | N170 | N170-P176 WeakPolarHBondContact OD1-CA 3.26Š|
| 177 | L | 77.4 | Confident | 79.2 | Confident | 8 Ų | 8 | 51.9 Ų | 51.9 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -54.8 | 141.5 | 169.2 | -81.3 | 166.7 | 0 | 0 | 0 | 110.8 | W168 V171 Q181 Q184 | W168-L177 HydrophobicContact CB-CD1 4.1Å; W168-L177 WeakPolarHBondContact O-CD1 3.49Å; V171-L177 HydrophobicContact CG1-CD2 3.26Å; V171-L177 HydrophobicContact CG1-CG 4.15Å; L177-Q181 HydrophobicContact CB-CB 3.87Å; L177-Q181 HydrophobicContact CB-CG 3.72Å; L177-Q181 HydrophobicContact CD1-CB 4.32Å; L177-Q181 WeakPolarHBondContact O-CG 3.46Å; L177-Q181 PolarHBondContact O-NE2 3.18Å; L177-Q184 HydrophobicContact CD1-CG 4.21Å; L177-Q184 HydrophobicContact CD2-CG 3.5Å; L177-Q184 HydrophobicContact CG-CG 4.47Å |
| 178 | P | 82.4 | Confident | 79.1 | Confident | 95 Ų | 95 | 51.8 Ų | 51.8 | 62% | 0.617 | 26% | 0.259 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 153 | 169.9 | 29.2 | -33.3 | 0 | 0 | 0 | 109.8 | Q181 | P178-Q181 WeakPolarHBondContact O-CA 3.35Å; P178-Q181 PolarHBondContact O-N 2.76Å |
| 179 | F | 85.8 | Confident | 79.2 | Confident | 156 Ų | 156 | 53 Ų | 53 | 68% | 0.684 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | 136.1 | 170.8 | 176.8 | -87 | 0 | 0 | 0 | 110.2 | Q101 | Q101-F179 HydrophobicContact CB-CD2 4.18Å; Q101-F179 HydrophobicContact CB-CE2 4.2Å |
| 180 | P | 90.7 | Very high | 80 | Confident | 33 Ų | 33 | 53.1 Ų | 53.1 | 21% | 0.214 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -92.9 | 17 | 8.3 | 38 | -36.9 | 0 | 0 | 0 | 114.6 | T99 Q100 Q101 S102 | T99-P180 HydrophobicContact CG2-CB 4.33Å; T99-P180 HydrophobicContact CG2-CG 4.02Å; Q100-P180 PolarHBondContact N-O 2.78Å; Q101-P180 PolarHBondContact N-O 2.86Å; S102-P180 WeakPolarHBondContact OG-CB 3.47Å |
| 181 | Q | 90.6 | Very high | 81.5 | Confident | 40 Ų | 40 | 51.6 Ų | 51.6 | 19% | 0.187 | 26% | 0.261 | C | S | . | . | trans | 60.1 | 57.9 | -172.6 | -53.7 | -174.2 | -29 | 0 | 0 | 111.1 | T99 Q100 Q101 W168 L177 P178 | T99-Q181 WeakPolarHBondContact CA-O 3.24Å; Q100-Q181 HydrophobicContact CB-CB 3.87Å; Q100-Q181 HydrophobicContact CG-CB 4.17Å; Q100-Q181 PolarHBondContact N-O 2.87Å; Q100-Q181 VanDerWaalsContact N-O 3.12Å; Q101-Q181 HydrophobicContact CG-CG 4.19Å; W168-Q181 PolarHBondContact NE1-O 2.87Å; L177-Q181 HydrophobicContact CB-CB 3.87Å; L177-Q181 HydrophobicContact CB-CG 3.72Å; L177-Q181 HydrophobicContact CD1-CB 4.32Å; L177-Q181 WeakPolarHBondContact O-CG 3.46Å; L177-Q181 PolarHBondContact O-NE2 3.18Å; P178-Q181 WeakPolarHBondContact O-CA 3.35Å; P178-Q181 PolarHBondContact O-N 2.76Å | ||
| 182 | T | 93.2 | Very high | 83.3 | Confident | 10 Ų | 10 | 50.2 Ų | 50.2 | 6% | 0.061 | 25% | 0.254 | C | S | . | . | B | Isolated β-bridge | trans | -61.6 | 143.3 | 172.9 | -46.1 | 0 | 0 | 0 | 0 | 110.4 | D47 H98 Q184 | D47-T182 HydrophobicContact CB-CG2 3.9Å; D47-T182 WeakPolarHBondContact OD2-CB 3.32Å; D47-T182 PolarHBondContact OD2-OG1 3.46Å; D47-T182 VanDerWaalsContact OD2-OG1 3.09Å; H98-T182 VanDerWaalsContact NE2-CG2 3.29Å; H98-T182 WeakPolarHBondContact NE2-CG2 3.43Å; T182-Q184 PolarHBondContact O-N 2.9Å; T182-Q184 PolarHBondContact O-NE2 2.64Å |
| 183 | L | 94 | Very high | 85.1 | Confident | 8 Ų | 8 | 44.3 Ų | 44.3 | 4% | 0.042 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -52.7 | 129.9 | 170.4 | 178.1 | 62.5 | 0 | 0 | 0 | 109.3 | A48 W53 Q56 H98 W168 | A48-L183 HydrophobicContact CB-CB 4.25Å; A48-L183 HydrophobicContact CB-CD2 4.12Å; A48-L183 HydrophobicContact CB-CG 3.98Å; A48-L183 WeakPolarHBondContact CB-O 3.19Å; A48-L183 PolarHBondContact N-O 2.92Å; W53-L183 HydrophobicContact CB-CD2 4.43Å; Q56-L183 HydrophobicContact CB-CD2 4.27Å; Q56-L183 HydrophobicContact CG-CD1 3.85Å; Q56-L183 HydrophobicContact CG-CD2 4.06Å; H98-L183 PolarHBondContact O-N 2.92Å; W168-L183 HydrophobicContact CD2-CD1 3.84Å; W168-L183 HydrophobicContact CE3-CD1 4.01Å; W168-L183 HydrophobicContact CH2-CD1 3.93Å; W168-L183 HydrophobicContact CZ2-CB 3.77Å; W168-L183 HydrophobicContact CZ2-CD1 3.74Å; W168-L183 HydrophobicContact CZ2-CD2 4.3Å; W168-L183 HydrophobicContact CZ2-CG 4.14Å; W168-L183 HydrophobicContact CZ3-CD1 4.06Å; W168-L183 VanDerWaalsContact NE1-CA 3.26Å; W168-L183 VanDerWaalsContact NE1-N 3.12Å |
| 184 | Q | 92.1 | Very high | 87 | Confident | 31 Ų | 31 | 43.8 Ų | 43.8 | 15% | 0.145 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 153.5 | 175.5 | -57.8 | -58.6 | -67.6 | 0 | 0 | 110.9 | Q46 D47 T166 G167 L177 T182 | Q46-Q184 VanDerWaalsContact C-OE1 3.28Å; Q46-Q184 CarbonylContact O-C 3.53Å; Q46-Q184 WeakPolarHBondContact O-CA 3.35Å; Q46-Q184 PolarHBondContact O-OE1 2.81Å; D47-Q184 PolarHBondContact OD1-NE2 3.22Å; T166-Q184 VanDerWaalsContact CA-O 3.26Å; T166-Q184 WeakPolarHBondContact CA-O 3.32Å; G167-Q184 PolarHBondContact N-O 3.2Å; G167-Q184 VanDerWaalsContact N-O 3.16Å; G167-Q184 PolarHBondContact O-N 2.87Å; L177-Q184 HydrophobicContact CD1-CG 4.21Å; L177-Q184 HydrophobicContact CD2-CG 3.5Å; L177-Q184 HydrophobicContact CG-CG 4.47Å; T182-Q184 PolarHBondContact O-N 2.9Å; T182-Q184 PolarHBondContact O-NE2 2.64Å |
| 185 | E | 91.2 | Very high | 88.7 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.009 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 144.5 | 169.8 | 60.9 | 176.6 | -142.2 | 0 | 0 | 110.9 | S37 G45 Q46 A48 W53 W164 I165 T166 | S37-E185 WeakPolarHBondContact CB-OE1 3.34Å; S37-E185 VanDerWaalsContact OG-CD 3.3Å; S37-E185 PolarHBondContact OG-OE1 3.29Å; S37-E185 PolarHBondContact OG-OE2 2.96Å; G45-E185 WeakPolarHBondContact CA-O 3.05Å; Q46-E185 HydrophobicContact CG-CG 3.75Å; Q46-E185 PolarHBondContact N-O 2.74Å; Q46-E185 PolarHBondContact NE2-OE1 2.91Å; Q46-E185 PolarHBondContact O-N 3.09Å; A48-E185 HydrophobicContact CB-CB 4.11Å; A48-E185 HydrophobicContact CB-CG 3.98Å; W53-E185 HydrophobicContact CZ2-CB 4.37Å; W53-E185 PolarHBondContact NE1-OE2 3.41Å; W164-E185 HydrophobicContact CE3-CB 4.05Å; W164-E185 HydrophobicContact CE3-CG 4.41Å; W164-E185 HydrophobicContact CZ3-CB 4.08Å; W164-E185 HydrophobicContact CZ3-CG 3.92Å; I165-E185 WeakPolarHBondContact O-CA 3.36Å; T166-E185 HydrophobicContact CG2-CB 3.98Å |
| 186 | A | 88.8 | Confident | 90.2 | Very high | 10 Ų | 10 | 39.9 Ų | 39.9 | 8% | 0.083 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 137 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | W164 I165 | W164-A186 WeakPolarHBondContact CA-O 3.07Å; I165-A186 HydrophobicContact CD1-CB 4.34Å; I165-A186 HydrophobicContact CG1-CB 3.97Å; I165-A186 WeakPolarHBondContact CG1-O 3.32Å; I165-A186 PolarHBondContact N-O 3.36Å; I165-A186 PolarHBondContact O-N 3.06Å |
| 187 | E | 90.1 | Very high | 91.4 | Very high | 68 Ų | 68 | 38.9 Ų | 38.9 | 32% | 0.318 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 126.2 | 171.1 | -170.7 | -178 | -158.5 | 0 | 0 | 110.2 | S162 S163 W164 R217 | S162-E187 WeakPolarHBondContact CB-OE1 3.26Å; S162-E187 WeakPolarHBondContact OG-CG 3.29Å; S162-E187 PolarHBondContact OG-OE1 2.83Å; S163-E187 CarbonylContact O-C 3.51Å; S163-E187 WeakPolarHBondContact O-CA 3.45Å; W164-E187 HydrophobicContact CD2-CB 4.07Å; W164-E187 HydrophobicContact CE3-CB 4.32Å; W164-E187 HydrophobicContact CH2-CB 4.1Å; W164-E187 HydrophobicContact CZ2-CB 3.79Å; W164-E187 HydrophobicContact CZ2-CG 4.2Å; W164-E187 HydrophobicContact CZ3-CB 4.34Å; E187-R217 WeakPolarHBondContact O-CD 3.39Å; E187-R217 PolarHBondContact O-NH1 2.98Å |
| 188 | I | 90.4 | Very high | 92.1 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 144.9 | 179.3 | 57.5 | 174.7 | 0 | 0 | 0 | 111.1 | S163 I165 A210 R217 M228 Y257 | S163-I188 PolarHBondContact N-O 2.9Å; S163-I188 PolarHBondContact O-N 3Å; I165-I188 HydrophobicContact CD1-CD1 4.05Å; I165-I188 HydrophobicContact CG1-CD1 4.14Å; I165-I188 HydrophobicContact CG2-CD1 3.65Å; I165-I188 HydrophobicContact CG2-CG1 4.29Å; I188-A210 HydrophobicContact CD1-CB 3.53Å; I188-A210 HydrophobicContact CG1-CB 3.97Å; I188-R217 HydrophobicContact CG2-CB 3.85Å; I188-M228 HydrophobicContact CD1-SD 4.45Å; I188-Y257 HydrophobicContact CD1-CE2 4.47Å; I188-Y257 VanDerWaalsContact CD1-OH 3.3Å; I188-Y257 WeakPolarHBondContact CD1-OH 3Å |
| 189 | P | 93.9 | Very high | 92.6 | Very high | 39 Ų | 39 | 41 Ų | 41 | 25% | 0.253 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 146.2 | 175.1 | 32.8 | -32.9 | 0 | 0 | 0 | 111.1 | A210 G211 L212 | P189-A210 CarbonylContact O-C 3.43Å; P189-A210 WeakPolarHBondContact O-CA 2.99Å; P189-A210 WeakPolarHBondContact O-CB 3.39Å; P189-G211 WeakPolarHBondContact CG-O 3.39Å; P189-G211 PolarHBondContact O-N 2.87Å; P189-L212 HydrophobicContact CG-CD2 4.05Å |
| 190 | V | 95.8 | Very high | 92.8 | Very high | 6 Ų | 6 | 34.8 Ų | 34.8 | 4% | 0.036 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 139 | 167.9 | 172.9 | 0 | 0 | 0 | 0 | 110.1 | F157 A159 G160 Q161 I208 | F157-V190 HydrophobicContact CB-CG2 4.32Å; F157-V190 WeakPolarHBondContact O-CG1 3.37Å; A159-V190 CarbonylContact C-O 3.43Å; A159-V190 WeakPolarHBondContact CA-O 3.47Å; G160-V190 PolarHBondContact N-O 2.84Å; Q161-V190 HydrophobicContact CB-CB 4.22Å; Q161-V190 HydrophobicContact CB-CG2 4.08Å; Q161-V190 HydrophobicContact CG-CG2 4.47Å; Q161-V190 WeakPolarHBondContact O-CG2 3.39Å; Q161-V190 PolarHBondContact O-N 2.9Å; V190-I208 HydrophobicContact CG1-CD1 4.11Å; V190-I208 HydrophobicContact CG1-CG1 4.19Å; V190-I208 HydrophobicContact CG2-CD1 4.32Å |
| 191 | V | 95.3 | Very high | 92.5 | Very high | 11 Ų | 11 | 39.5 Ų | 39.5 | 7% | 0.067 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 134.7 | 175.6 | 178.4 | 0 | 0 | 0 | 0 | 108.5 | Q195 C196 C209 P254 | V191-Q195 HydrophobicContact CG1-CB 3.85Å; V191-Q195 HydrophobicContact CG1-CG 3.86Å; V191-C196 HydrophobicContact CG1-CB 4.37Å; V191-C209 HydrophobicContact CB-CB 4.11Å; V191-C209 PolarHBondContact N-O 3.44Å; V191-P254 HydrophobicContact CB-CB 4.46Å; V191-P254 HydrophobicContact CG1-CG 4.38Å; V191-P254 HydrophobicContact CG2-CB 4.08Å |
| 192 | S | 95.4 | Very high | 92.4 | Very high | 35 Ų | 35 | 40.1 Ų | 40.1 | 25% | 0.245 | 25% | 0.247 | C | C | . | . | trans | -60.2 | 145.2 | 177.5 | 66.5 | 0 | 0 | 0 | 0 | 111.1 | S194 Q195 C196 | S192-S194 PolarHBondContact O-N 2.96Å; S192-S194 PolarHBondContact OG-OG 3.17Å; S192-S194 VanDerWaalsContact OG-OG 3.09Å; S192-Q195 PolarHBondContact O-N 3.45Å; S192-Q195 VanDerWaalsContact O-N 3.1Å; S192-Q195 VanDerWaalsContact OG-CB 3.23Å; S192-Q195 WeakPolarHBondContact OG-CB 3.41Å; S192-Q195 PolarHBondContact OG-N 2.9Å; S192-C196 WeakPolarHBondContact O-CB 3.38Å; S192-C196 PolarHBondContact O-N 3.15Å | ||
| 193 | N | 95.1 | Very high | 92.5 | Very high | 39 Ų | 39 | 40.8 Ų | 40.8 | 21% | 0.209 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59 | -33.9 | 176.8 | -79.7 | 35.5 | 0 | 0 | 0 | 112 | C196 S197 I203 T204 M207 R259 | N193-C196 PolarHBondContact O-N 2.94Å; N193-S197 WeakPolarHBondContact O-CB 3.33Å; N193-S197 PolarHBondContact O-N 2.83Å; N193-S197 PolarHBondContact O-OG 3.08Å; N193-I203 HydrophobicContact CB-CG2 4.14Å; N193-T204 PolarHBondContact ND2-O 3.35Å; N193-M207 PolarHBondContact ND2-O 3.05Å; N193-M207 PolarHBondContact OD1-O 3.02Å; N193-R259 PolarHBondContact OD1-NH2 2.88Å |
| 194 | S | 94.6 | Very high | 92.7 | Very high | 89 Ų | 89 | 42.3 Ų | 42.3 | 62% | 0.622 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -62.6 | -43.3 | 175.6 | 49.1 | 0 | 0 | 0 | 0 | 112.4 | S192 S197 | S192-S194 PolarHBondContact O-N 2.96Å; S192-S194 PolarHBondContact OG-OG 3.17Å; S192-S194 VanDerWaalsContact OG-OG 3.09Å; S194-S197 PolarHBondContact O-N 3.16Å |
| 195 | Q | 93.4 | Very high | 92.9 | Very high | 75 Ų | 75 | 44.1 Ų | 44.1 | 35% | 0.35 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -70.7 | -40.8 | 175.1 | -176.9 | 180 | -1.8 | 0 | 0 | 111.1 | V191 S192 S197 T198 | V191-Q195 HydrophobicContact CG1-CB 3.85Å; V191-Q195 HydrophobicContact CG1-CG 3.86Å; S192-Q195 PolarHBondContact O-N 3.45Å; S192-Q195 VanDerWaalsContact O-N 3.1Å; S192-Q195 VanDerWaalsContact OG-CB 3.23Å; S192-Q195 WeakPolarHBondContact OG-CB 3.41Å; S192-Q195 PolarHBondContact OG-N 2.9Å; Q195-S197 PolarHBondContact O-N 3.42Å; Q195-T198 WeakPolarHBondContact O-CB 3.39Å; Q195-T198 PolarHBondContact O-N 3.44Å; Q195-T198 PolarHBondContact O-OG1 3.04Å |
| 196 | C | 94.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.9 | -35 | 176.5 | -165.3 | 0 | 0 | 0 | 0 | 112.2 | V191 S192 N193 T198 S199 Y200 I203 C209 P254 | V191-C196 HydrophobicContact CG1-CB 4.37Å; S192-C196 WeakPolarHBondContact O-CB 3.38Å; S192-C196 PolarHBondContact O-N 3.15Å; N193-C196 PolarHBondContact O-N 2.94Å; C196-T198 PolarHBondContact O-N 3.28Å; C196-S199 PolarHBondContact O-N 2.86Å; C196-Y200 PolarHBondContact O-N 3.39Å; C196-Y200 VanDerWaalsContact O-N 3.08Å; C196-I203 HydrophobicContact CB-CG1 4.33Å; C196-C209 HydrophobicContact CB-CB 3.56Å; C196-C209 WeakPolarHBondContact CB-SG 2.86Å; C196-C209 WeakPolarHBondContact SG-CB 3.29Å; C196-C209 CovalentContact SG-SG 2.02Å; C196-C209 PolarHBondContact SG-SG 3.27Å; C196-P254 HydrophobicContact CB-CG 4.46Å |
| 197 | S | 94.7 | Very high | 93.6 | Very high | 59 Ų | 59 | 45.3 Ų | 45.3 | 41% | 0.413 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -11.9 | 177 | -55.9 | 0 | 0 | 0 | 0 | 113.8 | N193 S194 Q195 S199 Y200 | N193-S197 WeakPolarHBondContact O-CB 3.33Å; N193-S197 PolarHBondContact O-N 2.83Å; N193-S197 PolarHBondContact O-OG 3.08Å; S194-S197 PolarHBondContact O-N 3.16Å; Q195-S197 PolarHBondContact O-N 3.42Å; S197-S199 VanDerWaalsContact C-N 3.27Å; S197-Y200 CarbonylContact C-O 3.56Å; S197-Y200 VanDerWaalsContact CA-O 3.3Å; S197-Y200 WeakPolarHBondContact CA-O 3.05Å |
| 198 | T | 93.3 | Very high | 94 | Very high | 115 Ų | 115 | 42 Ų | 42 | 71% | 0.706 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -22 | 170.6 | 70.6 | 0 | 0 | 0 | 0 | 111.9 | Q195 C196 | Q195-T198 WeakPolarHBondContact O-CB 3.39Å; Q195-T198 PolarHBondContact O-N 3.44Å; Q195-T198 PolarHBondContact O-OG1 3.04Å; C196-T198 PolarHBondContact O-N 3.28Å |
| 199 | S | 91.2 | Very high | 94.3 | Very high | 33 Ų | 33 | 42 Ų | 42 | 23% | 0.231 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -27.8 | -179.5 | -48.9 | 0 | 0 | 0 | 0 | 112.2 | C196 S197 G252 Y253 | C196-S199 PolarHBondContact O-N 2.86Å; S197-S199 VanDerWaalsContact C-N 3.27Å; S199-G252 WeakPolarHBondContact CB-O 3.25Å; S199-G252 PolarHBondContact OG-O 2.89Å; S199-Y253 WeakPolarHBondContact O-CE1 3.08Å |
| 200 | Y | 90.6 | Very high | 94.3 | Very high | 26 Ų | 26 | 40.1 Ų | 40.1 | 10% | 0.102 | 25% | 0.253 | C | S | . | . | trans | -131.1 | 138.2 | -178.3 | -57.1 | -81 | 0 | 0 | 0 | 111.3 | C196 S197 I203 F244 F246 Y253 P254 V256 | C196-Y200 PolarHBondContact O-N 3.39Å; C196-Y200 VanDerWaalsContact O-N 3.08Å; S197-Y200 CarbonylContact C-O 3.56Å; S197-Y200 VanDerWaalsContact CA-O 3.3Å; S197-Y200 WeakPolarHBondContact CA-O 3.05Å; Y200-I203 HydrophobicContact CD2-CD1 4.02Å; Y200-I203 HydrophobicContact CD2-CG1 4.5Å; Y200-I203 HydrophobicContact CG-CD1 4.1Å; Y200-F244 HydrophobicContact CD1-CE2 4.32Å; Y200-F244 HydrophobicContact CE1-CE2 4.38Å; Y200-F246 HydrophobicContact CE1-CB 4.1Å; Y200-F246 PolarHBondContact OH-N 2.98Å; Y200-F246 VanDerWaalsContact OH-N 3.1Å; Y200-Y253 AromaticContact CE1-CD1 3.98Å; Y200-Y253 HydrophobicContact CE1-CD1 3.98Å; Y200-Y253 HydrophobicContact CE2-CD1 4.43Å; Y200-Y253 AromaticContact CZ-CD1 3.9Å; Y200-P254 HydrophobicContact CE2-CG 4.25Å; Y200-P254 VanDerWaalsContact CE2-O 3.24Å; Y200-P254 WeakPolarHBondContact CE2-O 3.35Å; Y200-P254 PolarHBondContact OH-O 3.2Å; Y200-V256 HydrophobicContact CD2-CG2 4.07Å; Y200-V256 HydrophobicContact CE2-CG2 3.76Å | ||
| 201 | S | 84.9 | Confident | 94.1 | Very high | 132 Ų | 132 | 40 Ų | 40 | 92% | 0.923 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -10 | -177.8 | 52.3 | 0 | 0 | 0 | 0 | 115 | ||
| 202 | S | 88.6 | Confident | 93.6 | Very high | 52 Ų | 52 | 41.2 Ų | 41.2 | 36% | 0.364 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.4 | 26.3 | -167.6 | 57.3 | 0 | 0 | 0 | 0 | 114.9 | T204 | S202-T204 PolarHBondContact O-N 2.53Š|
| 203 | I | 95.8 | Very high | 92.8 | Very high | 25 Ų | 25 | 44 Ų | 44 | 13% | 0.128 | 28% | 0.275 | C | S | . | . | trans | -72.4 | 118.3 | 179.2 | -57.7 | -57.4 | 0 | 0 | 0 | 111 | N193 C196 Y200 M207 F244 V256 | N193-I203 HydrophobicContact CB-CG2 4.14Å; C196-I203 HydrophobicContact CB-CG1 4.33Å; Y200-I203 HydrophobicContact CD2-CD1 4.02Å; Y200-I203 HydrophobicContact CD2-CG1 4.5Å; Y200-I203 HydrophobicContact CG-CD1 4.1Å; I203-M207 HydrophobicContact CD1-SD 4.26Å; I203-M207 HydrophobicContact CG2-CB 4.38Å; I203-F244 HydrophobicContact CD1-CZ 4.46Å; I203-V256 HydrophobicContact CD1-CG1 4.1Å; I203-V256 HydrophobicContact CD1-CG2 3.93Å | ||
| 204 | T | 96.7 | Very high | 92 | Very high | 39 Ų | 39 | 48.7 Ų | 48.7 | 24% | 0.239 | 30% | 0.296 | C | S | . | . | trans | -98.1 | 173.5 | 178.8 | 78.1 | 0 | 0 | 0 | 0 | 112.2 | D127 N193 S202 N206 M207 | D127-T204 HydrophobicContact CB-CG2 4.34Å; D127-T204 PolarHBondContact OD1-OG1 2.96Å; N193-T204 PolarHBondContact ND2-O 3.35Å; S202-T204 PolarHBondContact O-N 2.53Å; T204-N206 PolarHBondContact O-N 2.79Å; T204-N206 WeakPolarHBondContact OG1-CB 3.3Å; T204-N206 PolarHBondContact OG1-N 3.18Å; T204-M207 HydrophobicContact CG2-CE 4Å; T204-M207 HydrophobicContact CG2-SD 4.42Å; T204-M207 PolarHBondContact O-N 2.56Å | ||
| 205 | S | 96.6 | Very high | 91.2 | Very high | 69 Ų | 69 | 44.7 Ų | 44.7 | 48% | 0.483 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -13.1 | 173.5 | 79.3 | 0 | 0 | 0 | 0 | 114.1 | M207 R259 R262 | S205-M207 VanDerWaalsContact C-N 3.27Å; S205-R259 PolarHBondContact O-NE 2.69Å; S205-R262 PolarHBondContact O-NE 3.05Å |
| 206 | N | 97.9 | Very high | 90.1 | Very high | 33 Ų | 33 | 43 Ų | 43 | 18% | 0.176 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -1.9 | 174.7 | -59.5 | -33.3 | 0 | 0 | 0 | 112.7 | D127 N128 T204 R259 Y263 | D127-N206 VanDerWaalsContact OD1-CB 3.3Å; D127-N206 WeakPolarHBondContact OD1-CB 3.3Å; D127-N206 PolarHBondContact OD1-ND2 2.64Å; D127-N206 PolarHBondContact OD2-ND2 3.33Å; N128-N206 PolarHBondContact OD1-ND2 2.8Å; T204-N206 PolarHBondContact O-N 2.79Å; T204-N206 WeakPolarHBondContact OG1-CB 3.3Å; T204-N206 PolarHBondContact OG1-N 3.18Å; N206-R259 VanDerWaalsContact O-CB 3.3Å; N206-R259 WeakPolarHBondContact O-CB 3.33Å; N206-R259 PolarHBondContact O-N 2.78Å; N206-Y263 WeakPolarHBondContact CB-OH 3.48Å; N206-Y263 PolarHBondContact O-OH 2.84Å |
| 207 | M | 98.1 | Very high | 88.9 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.02 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 148.1 | 178.8 | -61.6 | 170.3 | -172.4 | 0 | 0 | 111 | T125 D127 N193 I203 T204 S205 F244 V256 Y257 R259 | T125-M207 WeakPolarHBondContact O-CE 3.25Å; D127-M207 HydrophobicContact CB-CE 4.15Å; N193-M207 PolarHBondContact ND2-O 3.05Å; N193-M207 PolarHBondContact OD1-O 3.02Å; I203-M207 HydrophobicContact CD1-SD 4.26Å; I203-M207 HydrophobicContact CG2-CB 4.38Å; T204-M207 HydrophobicContact CG2-CE 4Å; T204-M207 HydrophobicContact CG2-SD 4.42Å; T204-M207 PolarHBondContact O-N 2.56Å; S205-M207 VanDerWaalsContact C-N 3.27Å; M207-F244 HydrophobicContact CE-CE1 4.17Å; M207-F244 HydrophobicContact SD-CE1 4.13Å; M207-F244 HydrophobicContact SD-CZ 4.2Å; M207-V256 HydrophobicContact CB-CG1 3.91Å; M207-V256 HydrophobicContact CG-CG1 4.07Å; M207-V256 HydrophobicContact SD-CG1 3.97Å; M207-Y257 CarbonylContact C-O 3.53Å; M207-Y257 VanDerWaalsContact CA-O 3.32Å; M207-Y257 WeakPolarHBondContact CA-O 3.19Å; M207-R259 VanDerWaalsContact O-CZ 3.32Å; M207-R259 PolarHBondContact O-NE 2.88Å; M207-R259 PolarHBondContact O-NH2 2.68Å |
| 208 | I | 97.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 138.7 | 168.8 | -173.9 | 172.1 | 0 | 0 | 0 | 108 | F157 V190 M228 Y257 R259 | F157-I208 HydrophobicContact CB-CD1 3.86Å; F157-I208 HydrophobicContact CD2-CD1 4.3Å; F157-I208 HydrophobicContact CG-CD1 4.25Å; V190-I208 HydrophobicContact CG1-CD1 4.11Å; V190-I208 HydrophobicContact CG1-CG1 4.19Å; V190-I208 HydrophobicContact CG2-CD1 4.32Å; I208-M228 HydrophobicContact CD1-CE 3.94Å; I208-M228 HydrophobicContact CG1-CE 4.25Å; I208-M228 HydrophobicContact CG2-CE 3.83Å; I208-Y257 PolarHBondContact N-O 3.1Å; I208-Y257 WeakPolarHBondContact O-CB 3.39Å; I208-Y257 WeakPolarHBondContact O-CD2 3.11Å; I208-Y257 PolarHBondContact O-N 2.69Å; I208-R259 HydrophobicContact CB-CB 4.17Å; I208-R259 HydrophobicContact CB-CG 4.31Å; I208-R259 HydrophobicContact CG2-CB 4.16Å |
| 209 | C | 96.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 149.6 | 179.7 | -55.2 | 0 | 0 | 0 | 0 | 110.8 | V191 C196 P254 G255 | V191-C209 HydrophobicContact CB-CB 4.11Å; V191-C209 PolarHBondContact N-O 3.44Å; C196-C209 HydrophobicContact CB-CB 3.56Å; C196-C209 WeakPolarHBondContact CB-SG 2.86Å; C196-C209 WeakPolarHBondContact SG-CB 3.29Å; C196-C209 CovalentContact SG-SG 2.02Å; C196-C209 PolarHBondContact SG-SG 3.27Å; C209-P254 HydrophobicContact CB-CB 4.33Å; C209-P254 HydrophobicContact CB-CG 4.21Å; C209-G255 VanDerWaalsContact CA-O 3.28Å; C209-G255 WeakPolarHBondContact CA-O 3.33Å |
| 210 | A | 94.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 147.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | I188 P189 M228 G255 Y257 | I188-A210 HydrophobicContact CD1-CB 3.53Å; I188-A210 HydrophobicContact CG1-CB 3.97Å; P189-A210 CarbonylContact O-C 3.43Å; P189-A210 WeakPolarHBondContact O-CA 2.99Å; P189-A210 WeakPolarHBondContact O-CB 3.39Å; A210-M228 HydrophobicContact CB-CE 4.43Å; A210-M228 HydrophobicContact CB-SD 3.52Å; A210-M228 VanDerWaalsContact CB-SD 3.52Å; A210-G255 PolarHBondContact N-O 2.86Å; A210-G255 VanDerWaalsContact N-O 3.07Å; A210-G255 PolarHBondContact O-N 3.23Å; A210-Y257 HydrophobicContact CB-CD2 4.46Å; A210-Y257 HydrophobicContact CB-CE2 3.94Å |
| 211 | G | 90.6 | Very high | 84.1 | Confident | 5 Ų | 5 | 39.7 Ų | 39.7 | 5% | 0.052 | 24% | 0.24 | C | C | . | . | trans | 155.8 | 163.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | P189 | P189-G211 WeakPolarHBondContact CG-O 3.39Å; P189-G211 PolarHBondContact O-N 2.87Å | ||
| 212 | L | 84.6 | Confident | 83.3 | Confident | 36 Ų | 36 | 34.2 Ų | 34.2 | 19% | 0.188 | 20% | 0.204 | C | C | . | . | trans | -82.8 | 144.1 | 173.9 | -64.1 | 176.9 | 0 | 0 | 0 | 110.3 | P189 E214 G215 R217 | P189-L212 HydrophobicContact CG-CD2 4.05Å; L212-E214 VanDerWaalsContact C-N 3.32Å; L212-E214 HydrophobicContact CB-CG 4.28Å; L212-E214 PolarHBondContact O-N 3.42Å; L212-G215 WeakPolarHBondContact CB-O 3.28Å; L212-G215 PolarHBondContact O-N 3.02Å; L212-G215 VanDerWaalsContact O-N 3.08Å; L212-R217 HydrophobicContact CD1-CB 4.03Å; L212-R217 HydrophobicContact CD1-CG 3.87Å; L212-R217 HydrophobicContact CG-CB 4.47Å | ||
| 213 | T | 78.7 | Confident | 83 | Confident | 93 Ų | 93 | 32.5 Ų | 32.5 | 57% | 0.571 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -40.5 | -179.5 | -59.8 | 0 | 0 | 0 | 0 | 110.6 | G215 G252 | T213-G215 PolarHBondContact O-N 2.75Å; T213-G252 PolarHBondContact O-N 2.85Å |
| 214 | E | 80.1 | Confident | 82.8 | Confident | 138 Ų | 138 | 32.4 Ų | 32.4 | 65% | 0.645 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71 | -3.2 | 173.9 | 63.5 | -90.1 | -155.8 | 0 | 0 | 114.1 | L212 P251 | L212-E214 VanDerWaalsContact C-N 3.32Å; L212-E214 HydrophobicContact CB-CG 4.28Å; L212-E214 PolarHBondContact O-N 3.42Å; E214-P251 WeakPolarHBondContact O-CG 3.34Å |
| 215 | G | 77.6 | Confident | 82.9 | Confident | 5 Ų | 5 | 30.5 Ų | 30.5 | 5% | 0.052 | 18% | 0.181 | C | C | . | . | trans | 71.9 | -152.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L212 T213 R217 A249 | L212-G215 WeakPolarHBondContact CB-O 3.28Å; L212-G215 PolarHBondContact O-N 3.02Å; L212-G215 VanDerWaalsContact O-N 3.08Å; T213-G215 PolarHBondContact O-N 2.75Å; G215-R217 VanDerWaalsContact C-N 3.26Å; G215-R217 PolarHBondContact O-N 3.13Å; G215-A249 CarbonylContact C-O 3.56Å; G215-A249 WeakPolarHBondContact CA-O 3.34Å | ||
| 216 | G | 68.9 | Low | 82.9 | Confident | 39 Ų | 39 | 27.2 Ų | 27.2 | 40% | 0.402 | 16% | 0.158 | S | C | . | . | S | Bend | trans | 77.1 | -8.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | A249 | G216-A249 PolarHBondContact N-O 2.8Š|
| 217 | R | 69.4 | Low | 82.9 | Confident | 39 Ų | 39 | 25.7 Ų | 25.7 | 15% | 0.147 | 15% | 0.149 | C | C | . | . | trans | -140.1 | 123.6 | 166.3 | -64.3 | -175.1 | -174.5 | 169.7 | -0.9 | 111.2 | I42 E187 I188 L212 G215 | I42-R217 PolarHBondContact O-NH2 3.13Å; E187-R217 WeakPolarHBondContact O-CD 3.39Å; E187-R217 PolarHBondContact O-NH1 2.98Å; I188-R217 HydrophobicContact CG2-CB 3.85Å; L212-R217 HydrophobicContact CD1-CB 4.03Å; L212-R217 HydrophobicContact CD1-CG 3.87Å; L212-R217 HydrophobicContact CG-CB 4.47Å; G215-R217 VanDerWaalsContact C-N 3.26Å; G215-R217 PolarHBondContact O-N 3.13Å | ||
| 218 | D | 64 | Low | 82.9 | Confident | 23 Ų | 23 | 25.5 Ų | 25.5 | 12% | 0.123 | 15% | 0.149 | C | C | . | . | trans | -165 | 165.2 | 177.2 | -163.1 | 7.2 | 0 | 0 | 0 | 110.4 | I165 A249 G255 | I165-D218 VanDerWaalsContact CD1-C 3.43Å; D218-A249 VanDerWaalsContact CB-CA 3.45Å; D218-A249 HydrophobicContact CB-CB 3.65Å; D218-A249 PolarHBondContact OD2-N 3.45Å; D218-G255 WeakPolarHBondContact OD1-CA 3.36Å | ||
| 219 | S | 66.4 | Low | 82.9 | Confident | 10 Ų | 10 | 25.5 Ų | 25.5 | 7% | 0.07 | 15% | 0.149 | C | C | . | . | trans | -70.7 | 151.2 | 160.9 | 55.7 | 0 | 0 | 0 | 0 | 110.3 | V242 Y257 | S219-V242 WeakPolarHBondContact OG-CG1 3.4Å; S219-Y257 PolarHBondContact OG-OH 2.76Å | ||
| 220 | C | 75.3 | Confident | 82.8 | Confident | 11 Ų | 11 | 25.5 Ų | 25.5 | 7% | 0.074 | 15% | 0.149 | C | C | . | . | trans | -137.5 | -173.9 | -178.4 | -162.6 | 0 | 0 | 0 | 0 | 111.7 | N170 G222 D223 C248 | N170-C220 HydrophobicContact CB-CB 4.38Å; N170-C220 WeakPolarHBondContact O-CB 3.05Å; N170-C220 PolarHBondContact O-SG 3.1Å; N170-C220 VanDerWaalsContact O-SG 3.39Å; C220-G222 PolarHBondContact O-N 2.56Å; C220-D223 PolarHBondContact N-OD2 3.43Å; C220-D223 WeakPolarHBondContact O-CB 3.21Å; C220-D223 PolarHBondContact O-N 3.32Å; C220-C248 WeakPolarHBondContact CA-SG 3.13Å; C220-C248 HydrophobicContact CB-CB 3.68Å; C220-C248 WeakPolarHBondContact CB-SG 3.06Å; C220-C248 WeakPolarHBondContact SG-CB 3.41Å; C220-C248 CovalentContact SG-SG 2.01Å; C220-C248 PolarHBondContact SG-SG 3.46Å | ||
| 221 | Q | 63.4 | Low | 82.7 | Confident | 80 Ų | 80 | 27.2 Ų | 27.2 | 37% | 0.374 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 125.2 | -179.1 | -63.9 | 80 | 39.7 | 0 | 0 | 110.6 | G169 N170 C248 | G169-Q221 CarbonylContact C-O 3.57Å; G169-Q221 WeakPolarHBondContact CA-O 3.37Å; N170-Q221 PolarHBondContact N-O 2.95Å; Q221-C248 PolarHBondContact NE2-SG 3.32Å; Q221-C248 VanDerWaalsContact NE2-SG 3.42Å |
| 222 | G | 67.4 | Low | 82.6 | Confident | 17 Ų | 17 | 30.1 Ų | 30.1 | 18% | 0.175 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 104.2 | -20.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | H64 C220 S224 | H64-G222 PolarHBondContact NE2-O 2.71Å; C220-G222 PolarHBondContact O-N 2.56Å; G222-S224 VanDerWaalsContact C-N 3.33Å |
| 223 | D | 84.2 | Confident | 82.7 | Confident | 16 Ų | 16 | 31.2 Ų | 31.2 | 9% | 0.086 | 20% | 0.195 | C | C | . | . | trans | -82.9 | -12 | 175.7 | -61.6 | -43.8 | 0 | 0 | 0 | 113.3 | G167 W168 G169 C220 G225 G226 V242 | G167-D223 WeakPolarHBondContact CA-OD1 3.35Å; W168-D223 PolarHBondContact N-OD1 2.88Å; G169-D223 VanDerWaalsContact CA-OD1 3.3Å; G169-D223 WeakPolarHBondContact CA-OD1 3.49Å; G169-D223 PolarHBondContact N-OD1 3.25Å; C220-D223 PolarHBondContact N-OD2 3.43Å; C220-D223 WeakPolarHBondContact O-CB 3.21Å; C220-D223 PolarHBondContact O-N 3.32Å; D223-G225 PolarHBondContact O-N 2.05Å; D223-G226 VanDerWaalsContact O-CA 3.32Å; D223-G226 WeakPolarHBondContact O-CA 3.47Å; D223-G226 PolarHBondContact O-N 2.94Å; D223-V242 HydrophobicContact CB-CG1 4.27Å; D223-V242 HydrophobicContact CB-CG2 4.5Å; D223-V242 WeakPolarHBondContact O-CB 3.14Å | ||
| 224 | S | 91.7 | Very high | 83 | Confident | 23 Ų | 23 | 32.5 Ų | 32.5 | 16% | 0.161 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -41.9 | 130.6 | 176.3 | -76.2 | 0 | 0 | 0 | 0 | 112.9 | C66 G67 H81 G222 G226 | C66-S224 CarbonylContact C-O 3.52Å; C66-S224 WeakPolarHBondContact CA-O 3.46Å; C66-S224 VanDerWaalsContact CB-O 3.25Å; C66-S224 WeakPolarHBondContact CB-O 2.98Å; G67-S224 PolarHBondContact N-O 2.68Å; H81-S224 PolarHBondContact CE1-OG 3.26Å; H81-S224 WeakPolarHBondContact NE2-CB 3.44Å; H81-S224 PolarHBondContact NE2-OG 2.86Å; G222-S224 VanDerWaalsContact C-N 3.33Å; S224-G226 PolarHBondContact O-N 3.06Å |
| 225 | G | 97 | Very high | 83.6 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | -11 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | G67 G68 D223 V242 | G67-G225 CarbonylContact O-C 3.58Å; G68-G225 WeakPolarHBondContact CA-O 3.47Å; D223-G225 PolarHBondContact O-N 2.05Å; G225-V242 PolarHBondContact N-O 3.18Å |
| 226 | G | 97.6 | Very high | 84.5 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -63.8 | 159 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D223 S224 V242 | D223-G226 VanDerWaalsContact O-CA 3.32Å; D223-G226 WeakPolarHBondContact O-CA 3.47Å; D223-G226 PolarHBondContact O-N 2.94Å; S224-G226 PolarHBondContact O-N 3.06Å; G226-V242 WeakPolarHBondContact O-CG2 3.36Å; G226-V242 PolarHBondContact O-N 3.12Å | ||
| 227 | P | 98.1 | Very high | 85.9 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 142.7 | -175.4 | 33.2 | -33.3 | 0 | 0 | 0 | 112.4 | V229 Q238 | P227-V229 HydrophobicContact CB-CG1 4.09Å; P227-Q238 HydrophobicContact CB-CG 4.05Å |
| 228 | M | 97.7 | Very high | 87.3 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 122.4 | 155 | -176.6 | 179.2 | 77.8 | 0 | 0 | 108.4 | W164 I165 I188 I208 A210 Q238 S239 G240 Y257 | W164-M228 CarbonylContact O-C 3.55Å; W164-M228 WeakPolarHBondContact O-CA 3.25Å; I165-M228 HydrophobicContact CG2-CB 3.89Å; I165-M228 HydrophobicContact CG2-CG 3.81Å; I165-M228 HydrophobicContact CG2-SD 4.49Å; I188-M228 HydrophobicContact CD1-SD 4.45Å; I208-M228 HydrophobicContact CD1-CE 3.94Å; I208-M228 HydrophobicContact CG1-CE 4.25Å; I208-M228 HydrophobicContact CG2-CE 3.83Å; A210-M228 HydrophobicContact CB-CE 4.43Å; A210-M228 HydrophobicContact CB-SD 3.52Å; A210-M228 VanDerWaalsContact CB-SD 3.52Å; M228-Q238 CarbonylContact O-C 3.59Å; M228-Q238 WeakPolarHBondContact O-CA 3.45Å; M228-Q238 WeakPolarHBondContact O-CG 3.39Å; M228-S239 VanDerWaalsContact CE-OG 3.26Å; M228-S239 WeakPolarHBondContact CE-OG 3.21Å; M228-S239 PolarHBondContact O-N 2.82Å; M228-S239 PolarHBondContact O-OG 2.96Å; M228-G240 PolarHBondContact N-O 2.96Å; M228-G240 PolarHBondContact O-N 3.16Å; M228-G240 VanDerWaalsContact O-N 3.15Å; M228-Y257 HydrophobicContact CB-CD1 3.79Å; M228-Y257 HydrophobicContact CB-CE1 3.92Å; M228-Y257 HydrophobicContact CE-CG 4.43Å; M228-Y257 HydrophobicContact CG-CE1 4.41Å; M228-Y257 HydrophobicContact SD-CD1 4.11Å; M228-Y257 HydrophobicContact SD-CD2 4.06Å; M228-Y257 HydrophobicContact SD-CE1 4.08Å; M228-Y257 HydrophobicContact SD-CE2 4.07Å; M228-Y257 HydrophobicContact SD-CG 4.13Å |
| 229 | V | 97.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 142.1 | -174.6 | -61.9 | 0 | 0 | 0 | 0 | 112.2 | W53 W55 V148 S163 W164 P227 W236 V237 Q238 | W53-V229 HydrophobicContact CE3-CG2 4.2Å; W53-V229 HydrophobicContact CH2-CG2 4.33Å; W53-V229 HydrophobicContact CZ3-CG2 3.58Å; W55-V229 HydrophobicContact CZ2-CG1 4.48Å; W55-V229 HydrophobicContact CZ2-CG2 4.37Å; V148-V229 HydrophobicContact CG2-CG1 3.81Å; S163-V229 CarbonylContact C-O 3.57Å; S163-V229 VanDerWaalsContact CA-O 3.29Å; S163-V229 WeakPolarHBondContact CA-O 3.43Å; W164-V229 HydrophobicContact CB-CG2 4.03Å; W164-V229 PolarHBondContact N-O 3.22Å; W164-V229 PolarHBondContact O-N 3.09Å; P227-V229 HydrophobicContact CB-CG1 4.09Å; V229-W236 HydrophobicContact CB-CE3 4.07Å; V229-W236 HydrophobicContact CG2-CD2 4.41Å; V229-W236 HydrophobicContact CG2-CE3 3.61Å; V229-W236 HydrophobicContact CG2-CZ3 4.05Å; V229-V237 CarbonylContact C-O 3.47Å; V229-V237 WeakPolarHBondContact CA-O 3.3Å; V229-Q238 HydrophobicContact CG1-CB 4.13Å; V229-Q238 HydrophobicContact CG1-CG 4.28Å |
| 230 | S | 95.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 140.3 | 173.3 | -43.7 | 0 | 0 | 0 | 0 | 109.4 | S163 V237 S239 | S163-S230 PolarHBondContact OG-OG 2.86Å; S230-V237 PolarHBondContact N-O 3.34Å; S230-V237 PolarHBondContact O-N 3.45Å; S230-S239 PolarHBondContact OG-OG 3.06Å |
| 231 | S | 92.1 | Very high | 91.5 | Very high | 36 Ų | 36 | 24.1 Ų | 24.1 | 25% | 0.252 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 131.1 | 176.7 | -175.6 | 0 | 0 | 0 | 0 | 110.5 | G233 | S231-G233 VanDerWaalsContact C-N 3.26Å; S231-G233 PolarHBondContact OG-N 3.18Å |
| 232 | N | 88 | Confident | 93.2 | Very high | 67 Ų | 67 | 20.6 Ų | 20.6 | 36% | 0.358 | 13% | 0.131 | S | C | . | . | trans | -91.1 | 13.6 | 170.1 | 71.8 | 7.7 | 0 | 0 | 0 | 112.6 | T234 R235 F281 | N232-T234 VanDerWaalsContact C-N 3.32Å; N232-T234 PolarHBondContact O-N 2.83Å; N232-T234 PolarHBondContact OD1-N 2.02Å; N232-R235 PolarHBondContact N-O 3.37Å; N232-R235 PolarHBondContact OD1-N 2.85Å; N232-R235 PolarHBondContact OD1-O 3.11Å; N232-F281 HydrophobicContact CB-CD2 3.92Å; N232-F281 HydrophobicContact CB-CE2 3.8Å | ||
| 233 | G | 85.7 | Confident | 94.4 | Very high | 59 Ų | 59 | 20.2 Ų | 20.2 | 61% | 0.608 | 13% | 0.125 | S | C | * | . | S | Bend | trans | 92.2 | -25.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114 | S231 | S231-G233 VanDerWaalsContact C-N 3.26Å; S231-G233 PolarHBondContact OG-N 3.18Å |
| 234 | T | 86.9 | Confident | 94.6 | Very high | 120 Ų | 120 | 21.7 Ų | 21.7 | 74% | 0.736 | 13% | 0.131 | S | C | * | . | S | Bend | trans | -116.5 | -38.2 | -179.8 | -47.3 | 0 | 0 | 0 | 0 | 112.8 | N232 | N232-T234 VanDerWaalsContact C-N 3.32Å; N232-T234 PolarHBondContact O-N 2.83Å; N232-T234 PolarHBondContact OD1-N 2.02Å |
| 235 | R | 92.5 | Very high | 94.1 | Very high | 67 Ų | 67 | 22.3 Ų | 22.3 | 25% | 0.253 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -134 | 150.8 | -178 | -62.2 | -173.3 | -178 | -101.3 | 2.8 | 110.6 | A27 C29 G30 C149 N232 | A27-R235 PolarHBondContact O-NH1 2.89Å; A27-R235 PolarHBondContact O-NH2 3.04Å; C29-R235 PolarHBondContact O-NH1 3.39Å; G30-R235 WeakPolarHBondContact O-CA 3.44Å; C149-R235 VanDerWaalsContact SG-CD 3.57Å; N232-R235 PolarHBondContact N-O 3.37Å; N232-R235 PolarHBondContact OD1-N 2.85Å; N232-R235 PolarHBondContact OD1-O 3.11Å |
| 236 | W | 96.4 | Very high | 93.1 | Very high | 22 Ų | 22 | 26.9 Ų | 26.9 | 8% | 0.083 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 127.4 | 165.8 | -67.5 | 97.2 | 0 | 0 | 0 | 110 | G30 S36 W53 W55 C149 W164 V229 | G30-W236 VanDerWaalsContact CA-O 3.26Å; G30-W236 WeakPolarHBondContact CA-O 3.36Å; G30-W236 PolarHBondContact O-N 2.89Å; S36-W236 WeakPolarHBondContact OG-CZ2 3.23Å; W53-W236 HydrophobicContact CH2-CE3 4.42Å; W53-W236 AromaticContact CH2-CH2 3.76Å; W53-W236 HydrophobicContact CH2-CH2 3.76Å; W53-W236 HydrophobicContact CH2-CZ2 4Å; W53-W236 AromaticContact CH2-CZ3 3.98Å; W53-W236 HydrophobicContact CH2-CZ3 3.98Å; W53-W236 HydrophobicContact CZ3-CD2 4.02Å; W53-W236 HydrophobicContact CZ3-CE3 4Å; W53-W236 HydrophobicContact CZ3-CH2 4.11Å; W53-W236 HydrophobicContact CZ3-CZ2 4.15Å; W53-W236 HydrophobicContact CZ3-CZ3 4.03Å; W55-W236 HydrophobicContact CH2-CB 3.38Å; W55-W236 AromaticContact CH2-CD1 3.4Å; W55-W236 VanDerWaalsContact CH2-CD1 3.4Å; W55-W236 HydrophobicContact CH2-CD2 4.35Å; W55-W236 AromaticContact CH2-CG 3.42Å; W55-W236 HydrophobicContact CH2-CG 3.42Å; W55-W236 VanDerWaalsContact CH2-CG 3.42Å; W55-W236 HydrophobicContact CZ2-CB 3.6Å; W55-W236 HydrophobicContact CZ2-CD2 4.37Å; W55-W236 AromaticContact CZ2-CG 3.76Å; W55-W236 HydrophobicContact CZ2-CG 3.76Å; W55-W236 HydrophobicContact CZ3-CB 4.22Å; W55-W236 HydrophobicContact CZ3-CG 4.49Å; C149-W236 WeakPolarHBondContact CB-O 3.48Å; C149-W236 PolarHBondContact N-O 3.2Å; W164-W236 HydrophobicContact CB-CZ3 4.32Å; W164-W236 AromaticContact CD1-CH2 3.55Å; W164-W236 AromaticContact CD1-CZ3 3.54Å; W164-W236 HydrophobicContact CG-CH2 4.11Å; W164-W236 HydrophobicContact CG-CZ3 4.07Å; W164-W236 AromaticContact NE1-CH2 3.86Å; V229-W236 HydrophobicContact CB-CE3 4.07Å; V229-W236 HydrophobicContact CG2-CD2 4.41Å; V229-W236 HydrophobicContact CG2-CE3 3.61Å; V229-W236 HydrophobicContact CG2-CZ3 4.05Å |
| 237 | V | 97.9 | Very high | 92 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 121.6 | -177.4 | -174.7 | 0 | 0 | 0 | 0 | 108.2 | C149 A151 V229 S230 S239 V279 F281 | C149-V237 HydrophobicContact CB-CG2 4.36Å; C149-V237 CarbonylContact O-C 3.55Å; C149-V237 WeakPolarHBondContact O-CA 3.28Å; A151-V237 HydrophobicContact CB-CG1 3.98Å; V229-V237 CarbonylContact C-O 3.47Å; V229-V237 WeakPolarHBondContact CA-O 3.3Å; S230-V237 PolarHBondContact N-O 3.34Å; S230-V237 PolarHBondContact O-N 3.45Å; V237-S239 PolarHBondContact O-N 2.75Å; V237-V279 HydrophobicContact CG2-CB 4.05Å; V237-V279 HydrophobicContact CG2-CG1 4.02Å; V237-F281 HydrophobicContact CB-CD2 4.18Å; V237-F281 HydrophobicContact CG2-CD2 4.21Å |
| 238 | Q | 98.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 115.3 | 177.2 | -165.7 | 178.6 | -10 | 0 | 0 | 110.1 | S69 V148 C149 L150 A151 P227 M228 V229 G240 V260 | S69-Q238 PolarHBondContact OG-NE2 3.07Å; S69-Q238 VanDerWaalsContact OG-NE2 3.11Å; S69-Q238 PolarHBondContact OG-OE1 3.48Å; V148-Q238 HydrophobicContact CG1-CB 3.99Å; V148-Q238 HydrophobicContact CG2-CB 4.08Å; C149-Q238 PolarHBondContact O-N 2.81Å; L150-Q238 HydrophobicContact CD2-CB 4.23Å; A151-Q238 VanDerWaalsContact CB-O 3.26Å; A151-Q238 WeakPolarHBondContact CB-O 3.5Å; A151-Q238 PolarHBondContact N-O 3.1Å; A151-Q238 VanDerWaalsContact N-O 3.1Å; P227-Q238 HydrophobicContact CB-CG 4.05Å; M228-Q238 CarbonylContact O-C 3.59Å; M228-Q238 WeakPolarHBondContact O-CA 3.45Å; M228-Q238 WeakPolarHBondContact O-CG 3.39Å; V229-Q238 HydrophobicContact CG1-CB 4.13Å; V229-Q238 HydrophobicContact CG1-CG 4.28Å; Q238-G240 WeakPolarHBondContact CG-O 3.3Å; Q238-G240 PolarHBondContact NE2-O 2.97Å; Q238-V260 HydrophobicContact CG-CG2 4.08Å; Q238-V260 WeakPolarHBondContact O-CB 3.03Å |
| 239 | S | 98 | Very high | 89.6 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | -28.9 | -177.5 | 55.9 | 0 | 0 | 0 | 0 | 111.9 | M228 S230 V237 V260 | M228-S239 VanDerWaalsContact CE-OG 3.26Å; M228-S239 WeakPolarHBondContact CE-OG 3.21Å; M228-S239 PolarHBondContact O-N 2.82Å; M228-S239 PolarHBondContact O-OG 2.96Å; S230-S239 PolarHBondContact OG-OG 3.06Å; V237-S239 PolarHBondContact O-N 2.75Å; S239-V260 PolarHBondContact O-N 3.21Å; S239-V260 VanDerWaalsContact O-N 3.15Å |
| 240 | G | 98.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 163.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | M228 Q238 A258 | M228-G240 PolarHBondContact N-O 2.96Å; M228-G240 PolarHBondContact O-N 3.16Å; M228-G240 VanDerWaalsContact O-N 3.15Å; Q238-G240 WeakPolarHBondContact CG-O 3.3Å; Q238-G240 PolarHBondContact NE2-O 2.97Å; G240-A258 CarbonylContact C-O 3.5Å; G240-A258 VanDerWaalsContact CA-O 3.25Å; G240-A258 WeakPolarHBondContact CA-O 3.24Å |
| 241 | I | 98.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 125.8 | 169.5 | -53.8 | 168.8 | 0 | 0 | 0 | 106.8 | L77 A79 V130 S243 Y257 A258 V260 | L77-I241 HydrophobicContact CD1-CD1 4Å; L77-I241 HydrophobicContact CD2-CD1 3.85Å; L77-I241 HydrophobicContact CD2-CG1 4.19Å; L77-I241 HydrophobicContact CG-CD1 3.73Å; L77-I241 HydrophobicContact CG-CG1 4.35Å; A79-I241 HydrophobicContact CB-CG2 4.09Å; V130-I241 HydrophobicContact CB-CD1 4.05Å; V130-I241 HydrophobicContact CG2-CD1 3.53Å; I241-S243 PolarHBondContact O-N 2.92Å; I241-Y257 CarbonylContact O-C 3.56Å; I241-Y257 WeakPolarHBondContact O-CA 3.3Å; I241-Y257 VanDerWaalsContact O-CB 3.29Å; I241-Y257 WeakPolarHBondContact O-CB 3.3Å; I241-A258 HydrophobicContact CB-CB 4.19Å; I241-A258 HydrophobicContact CD1-CB 4.44Å; I241-A258 PolarHBondContact N-O 3.45Å; I241-A258 PolarHBondContact O-N 3.21Å; I241-V260 HydrophobicContact CD1-CG2 4.33Å; I241-V260 HydrophobicContact CG1-CG2 3.9Å |
| 242 | V | 97.1 | Very high | 87.8 | Confident | 5 Ų | 5 | 39.4 Ų | 39.4 | 3% | 0.03 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 122.8 | 179.9 | 177.4 | 0 | 0 | 0 | 0 | 109.7 | S219 D223 G225 G226 Y257 | S219-V242 WeakPolarHBondContact OG-CG1 3.4Å; D223-V242 HydrophobicContact CB-CG1 4.27Å; D223-V242 HydrophobicContact CB-CG2 4.5Å; D223-V242 WeakPolarHBondContact O-CB 3.14Å; G225-V242 PolarHBondContact N-O 3.18Å; G226-V242 WeakPolarHBondContact O-CG2 3.36Å; G226-V242 PolarHBondContact O-N 3.12Å; V242-Y257 HydrophobicContact CB-CD1 4.37Å; V242-Y257 HydrophobicContact CB-CE1 4.36Å; V242-Y257 HydrophobicContact CG2-CD1 3.99Å; V242-Y257 HydrophobicContact CG2-CE1 3.64Å |
| 243 | S | 94.1 | Very high | 87.8 | Confident | 9 Ų | 9 | 40.3 Ų | 40.3 | 6% | 0.063 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | -67.5 | -175.5 | -178.4 | 0 | 0 | 0 | 0 | 111.9 | H81 D129 I241 V256 | H81-S243 PolarHBondContact CE1-O 3.48Å; H81-S243 VanDerWaalsContact CE1-O 3.25Å; D129-S243 VanDerWaalsContact OD2-CB 3.28Å; D129-S243 WeakPolarHBondContact OD2-CB 3.4Å; D129-S243 PolarHBondContact OD2-OG 3.47Å; I241-S243 PolarHBondContact O-N 2.92Å; S243-V256 WeakPolarHBondContact CB-O 3.5Å; S243-V256 PolarHBondContact N-O 3.09Å |
| 244 | F | 88.8 | Confident | 88.1 | Confident | 48 Ų | 48 | 38.1 Ų | 38.1 | 21% | 0.211 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 169.8 | -178.6 | 69.8 | -87.5 | 0 | 0 | 0 | 112.6 | K126 Y200 I203 M207 V256 | K126-F244 HydrophobicContact CB-CD1 3.57Å; K126-F244 HydrophobicContact CB-CE1 3.77Å; K126-F244 HydrophobicContact CG-CB 4.47Å; K126-F244 HydrophobicContact CG-CD1 3.8Å; K126-F244 HydrophobicContact CG-CE1 4.34Å; K126-F244 HydrophobicContact CG-CG 4.29Å; Y200-F244 HydrophobicContact CD1-CE2 4.32Å; Y200-F244 HydrophobicContact CE1-CE2 4.38Å; I203-F244 HydrophobicContact CD1-CZ 4.46Å; M207-F244 HydrophobicContact CE-CE1 4.17Å; M207-F244 HydrophobicContact SD-CE1 4.13Å; M207-F244 HydrophobicContact SD-CZ 4.2Å; F244-V256 HydrophobicContact CD1-CB 4.02Å; F244-V256 HydrophobicContact CD1-CG1 4.18Å; F244-V256 HydrophobicContact CD2-CB 4.13Å; F244-V256 HydrophobicContact CD2-CG2 4.16Å; F244-V256 HydrophobicContact CE1-CB 3.7Å; F244-V256 HydrophobicContact CE1-CG1 3.46Å; F244-V256 VanDerWaalsContact CE1-CG1 3.46Å; F244-V256 HydrophobicContact CE1-CG2 4.36Å; F244-V256 HydrophobicContact CE2-CB 3.82Å; F244-V256 HydrophobicContact CE2-CG1 4.23Å; F244-V256 HydrophobicContact CE2-CG2 3.62Å; F244-V256 HydrophobicContact CG-CB 4.23Å; F244-V256 HydrophobicContact CZ-CB 3.6Å; F244-V256 HydrophobicContact CZ-CG1 3.5Å; F244-V256 VanDerWaalsContact CZ-CG1 3.5Å; F244-V256 HydrophobicContact CZ-CG2 3.74Å; F244-V256 PolarHBondContact N-O 2.77Å; F244-V256 VanDerWaalsContact N-O 3.11Å; F244-V256 WeakPolarHBondContact O-CA 3.34Å; F244-V256 WeakPolarHBondContact O-CB 3.38Å; F244-V256 PolarHBondContact O-N 3.32Å |
| 245 | G | 80.6 | Confident | 88.4 | Confident | 36 Ų | 36 | 32.4 Ų | 32.4 | 37% | 0.371 | 18% | 0.176 | S | C | . | . | trans | -167.4 | 161.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 246 | F | 75 | Confident | 88.6 | Confident | 96 Ų | 96 | 29.2 Ų | 29.2 | 42% | 0.421 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -85.3 | 112 | 170 | -177.4 | -93 | 0 | 0 | 0 | 109.7 | Y200 Q250 Y253 | Y200-F246 HydrophobicContact CE1-CB 4.1Å; Y200-F246 PolarHBondContact OH-N 2.98Å; Y200-F246 VanDerWaalsContact OH-N 3.1Å; F246-Q250 HydrophobicContact CD1-CB 4.4Å; F246-Q250 HydrophobicContact CD1-CG 4.06Å; F246-Q250 HydrophobicContact CE1-CG 4.31Å; F246-Y253 HydrophobicContact CB-CD1 3.58Å; F246-Y253 HydrophobicContact CB-CE1 4.17Å; F246-Y253 HydrophobicContact CB-CG 3.89Å; F246-Y253 HydrophobicContact CD1-CD1 4.26Å; F246-Y253 HydrophobicContact CD1-CD2 4.1Å; F246-Y253 HydrophobicContact CD1-CE1 4.44Å; F246-Y253 HydrophobicContact CD1-CE2 4.29Å; F246-Y253 HydrophobicContact CD1-CG 4.08Å; F246-Y253 HydrophobicContact CG-CD1 4.08Å; F246-Y253 HydrophobicContact CG-CE1 4.26Å; F246-Y253 HydrophobicContact CG-CG 4.3Å |
| 247 | E | 75.1 | Confident | 88.7 | Confident | 80 Ų | 80 | 28.2 Ų | 28.2 | 37% | 0.374 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | -157.8 | -169.5 | -61.3 | -176.2 | 166.2 | 0 | 0 | 111.2 | F173 Q250 | F173-E247 HydrophobicContact CD2-CB 4.36Å; F173-E247 HydrophobicContact CD2-CG 4.43Å; F173-E247 HydrophobicContact CE2-CG 4.48Å; E247-Q250 HydrophobicContact CB-CB 4.37Å |
| 248 | C | 72.5 | Confident | 88.7 | Confident | 21 Ų | 21 | 28.3 Ų | 28.3 | 14% | 0.142 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.7 | 122.6 | 176.1 | -56.2 | 0 | 0 | 0 | 0 | 108.9 | C220 Q221 Q250 | C220-C248 WeakPolarHBondContact CA-SG 3.13Å; C220-C248 HydrophobicContact CB-CB 3.68Å; C220-C248 WeakPolarHBondContact CB-SG 3.06Å; C220-C248 WeakPolarHBondContact SG-CB 3.41Å; C220-C248 CovalentContact SG-SG 2.01Å; C220-C248 PolarHBondContact SG-SG 3.46Å; Q221-C248 PolarHBondContact NE2-SG 3.32Å; Q221-C248 VanDerWaalsContact NE2-SG 3.42Å; C248-Q250 PolarHBondContact O-N 2.94Å |
| 249 | A | 72.5 | Confident | 88.7 | Confident | 24 Ų | 24 | 29.6 Ų | 29.6 | 20% | 0.198 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 32.1 | 175 | 0 | 0 | 0 | 0 | 0 | 114.1 | G215 G216 D218 | G215-A249 CarbonylContact C-O 3.56Å; G215-A249 WeakPolarHBondContact CA-O 3.34Å; G216-A249 PolarHBondContact N-O 2.8Å; D218-A249 VanDerWaalsContact CB-CA 3.45Å; D218-A249 HydrophobicContact CB-CB 3.65Å; D218-A249 PolarHBondContact OD2-N 3.45Å |
| 250 | Q | 79.2 | Confident | 88.7 | Confident | 71 Ų | 71 | 29.6 Ų | 29.6 | 33% | 0.332 | 17% | 0.165 | S | C | . | . | trans | -71.9 | 131.6 | 178.6 | -179.1 | 67.4 | -7.8 | 0 | 0 | 110.6 | F246 E247 C248 G252 Y253 | F246-Q250 HydrophobicContact CD1-CB 4.4Å; F246-Q250 HydrophobicContact CD1-CG 4.06Å; F246-Q250 HydrophobicContact CE1-CG 4.31Å; E247-Q250 HydrophobicContact CB-CB 4.37Å; C248-Q250 PolarHBondContact O-N 2.94Å; Q250-G252 PolarHBondContact O-N 3.01Å; Q250-Y253 HydrophobicContact CB-CD2 4.46Å; Q250-Y253 HydrophobicContact CG-CD2 3.81Å; Q250-Y253 PolarHBondContact O-N 3.45Å; Q250-Y253 VanDerWaalsContact O-N 3.08Å | ||
| 251 | P | 83.4 | Confident | 88.7 | Confident | 70 Ų | 70 | 30.1 Ų | 30.1 | 46% | 0.455 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | 133.3 | 176.8 | -23.6 | 32 | 0 | 0 | 0 | 111.9 | E214 Y253 | E214-P251 WeakPolarHBondContact O-CG 3.34Å; P251-Y253 VanDerWaalsContact C-N 3.25Å; P251-Y253 PolarHBondContact O-N 2.75Å |
| 252 | G | 85.1 | Confident | 88.7 | Confident | 33 Ų | 33 | 37 Ų | 37 | 34% | 0.34 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | -5.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | S199 T213 Q250 P254 | S199-G252 WeakPolarHBondContact CB-O 3.25Å; S199-G252 PolarHBondContact OG-O 2.89Å; T213-G252 PolarHBondContact O-N 2.85Å; Q250-G252 PolarHBondContact O-N 3.01Å; G252-P254 WeakPolarHBondContact O-CD 3.35Å |
| 253 | Y | 88.4 | Confident | 88.7 | Confident | 86 Ų | 86 | 37 Ų | 37 | 34% | 0.337 | 20% | 0.195 | S | C | . | . | trans | -116.8 | 92.3 | 177.7 | -71.7 | -90.2 | 0 | 0 | 0 | 110 | S199 Y200 F246 Q250 P251 | S199-Y253 WeakPolarHBondContact O-CE1 3.08Å; Y200-Y253 AromaticContact CE1-CD1 3.98Å; Y200-Y253 HydrophobicContact CE1-CD1 3.98Å; Y200-Y253 HydrophobicContact CE2-CD1 4.43Å; Y200-Y253 AromaticContact CZ-CD1 3.9Å; F246-Y253 HydrophobicContact CB-CD1 3.58Å; F246-Y253 HydrophobicContact CB-CE1 4.17Å; F246-Y253 HydrophobicContact CB-CG 3.89Å; F246-Y253 HydrophobicContact CD1-CD1 4.26Å; F246-Y253 HydrophobicContact CD1-CD2 4.1Å; F246-Y253 HydrophobicContact CD1-CE1 4.44Å; F246-Y253 HydrophobicContact CD1-CE2 4.29Å; F246-Y253 HydrophobicContact CD1-CG 4.08Å; F246-Y253 HydrophobicContact CG-CD1 4.08Å; F246-Y253 HydrophobicContact CG-CE1 4.26Å; F246-Y253 HydrophobicContact CG-CG 4.3Å; Q250-Y253 HydrophobicContact CB-CD2 4.46Å; Q250-Y253 HydrophobicContact CG-CD2 3.81Å; Q250-Y253 PolarHBondContact O-N 3.45Å; Q250-Y253 VanDerWaalsContact O-N 3.08Å; P251-Y253 VanDerWaalsContact C-N 3.25Å; P251-Y253 PolarHBondContact O-N 2.75Å | ||
| 254 | P | 92.1 | Very high | 88.9 | Confident | 12 Ų | 12 | 38.8 Ų | 38.8 | 8% | 0.078 | 20% | 0.202 | C | C | . | . | trans | -67 | 154.7 | 175.2 | 29.7 | -35 | 0 | 0 | 0 | 110.8 | V191 C196 Y200 C209 G252 | V191-P254 HydrophobicContact CB-CB 4.46Å; V191-P254 HydrophobicContact CG1-CG 4.38Å; V191-P254 HydrophobicContact CG2-CB 4.08Å; C196-P254 HydrophobicContact CB-CG 4.46Å; Y200-P254 HydrophobicContact CE2-CG 4.25Å; Y200-P254 VanDerWaalsContact CE2-O 3.24Å; Y200-P254 WeakPolarHBondContact CE2-O 3.35Å; Y200-P254 PolarHBondContact OH-O 3.2Å; C209-P254 HydrophobicContact CB-CB 4.33Å; C209-P254 HydrophobicContact CB-CG 4.21Å; G252-P254 WeakPolarHBondContact O-CD 3.35Å | ||
| 255 | G | 93.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 146.9 | 169 | 0 | 0 | 0 | 0 | 0 | 111 | C209 A210 D218 Y257 | C209-G255 VanDerWaalsContact CA-O 3.28Å; C209-G255 WeakPolarHBondContact CA-O 3.33Å; A210-G255 PolarHBondContact N-O 2.86Å; A210-G255 VanDerWaalsContact N-O 3.07Å; A210-G255 PolarHBondContact O-N 3.23Å; D218-G255 WeakPolarHBondContact OD1-CA 3.36Å; G255-Y257 VanDerWaalsContact C-CE2 3.45Å; G255-Y257 WeakPolarHBondContact O-CD2 3.49Å; G255-Y257 VanDerWaalsContact O-CE2 3.3Å; G255-Y257 WeakPolarHBondContact O-CE2 3.47Å |
| 256 | V | 95.9 | Very high | 90 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 131.8 | 179.2 | -170.7 | 0 | 0 | 0 | 0 | 109.8 | Y200 I203 M207 S243 F244 | Y200-V256 HydrophobicContact CD2-CG2 4.07Å; Y200-V256 HydrophobicContact CE2-CG2 3.76Å; I203-V256 HydrophobicContact CD1-CG1 4.1Å; I203-V256 HydrophobicContact CD1-CG2 3.93Å; M207-V256 HydrophobicContact CB-CG1 3.91Å; M207-V256 HydrophobicContact CG-CG1 4.07Å; M207-V256 HydrophobicContact SD-CG1 3.97Å; S243-V256 WeakPolarHBondContact CB-O 3.5Å; S243-V256 PolarHBondContact N-O 3.09Å; F244-V256 HydrophobicContact CD1-CB 4.02Å; F244-V256 HydrophobicContact CD1-CG1 4.18Å; F244-V256 HydrophobicContact CD2-CB 4.13Å; F244-V256 HydrophobicContact CD2-CG2 4.16Å; F244-V256 HydrophobicContact CE1-CB 3.7Å; F244-V256 HydrophobicContact CE1-CG1 3.46Å; F244-V256 VanDerWaalsContact CE1-CG1 3.46Å; F244-V256 HydrophobicContact CE1-CG2 4.36Å; F244-V256 HydrophobicContact CE2-CB 3.82Å; F244-V256 HydrophobicContact CE2-CG1 4.23Å; F244-V256 HydrophobicContact CE2-CG2 3.62Å; F244-V256 HydrophobicContact CG-CB 4.23Å; F244-V256 HydrophobicContact CZ-CB 3.6Å; F244-V256 HydrophobicContact CZ-CG1 3.5Å; F244-V256 VanDerWaalsContact CZ-CG1 3.5Å; F244-V256 HydrophobicContact CZ-CG2 3.74Å; F244-V256 PolarHBondContact N-O 2.77Å; F244-V256 VanDerWaalsContact N-O 3.11Å; F244-V256 WeakPolarHBondContact O-CA 3.34Å; F244-V256 WeakPolarHBondContact O-CB 3.38Å; F244-V256 PolarHBondContact O-N 3.32Å |
| 257 | Y | 97.9 | Very high | 91 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 0% | 0.004 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 145.6 | -172.8 | -54.7 | -106.3 | 0 | 0 | 0 | 109.8 | I165 I188 M207 I208 A210 S219 M228 I241 V242 G255 R259 | I165-Y257 HydrophobicContact CG2-CE1 3.73Å; I188-Y257 HydrophobicContact CD1-CE2 4.47Å; I188-Y257 VanDerWaalsContact CD1-OH 3.3Å; I188-Y257 WeakPolarHBondContact CD1-OH 3Å; M207-Y257 CarbonylContact C-O 3.53Å; M207-Y257 VanDerWaalsContact CA-O 3.32Å; M207-Y257 WeakPolarHBondContact CA-O 3.19Å; I208-Y257 PolarHBondContact N-O 3.1Å; I208-Y257 WeakPolarHBondContact O-CB 3.39Å; I208-Y257 WeakPolarHBondContact O-CD2 3.11Å; I208-Y257 PolarHBondContact O-N 2.69Å; A210-Y257 HydrophobicContact CB-CD2 4.46Å; A210-Y257 HydrophobicContact CB-CE2 3.94Å; S219-Y257 PolarHBondContact OG-OH 2.76Å; M228-Y257 HydrophobicContact CB-CD1 3.79Å; M228-Y257 HydrophobicContact CB-CE1 3.92Å; M228-Y257 HydrophobicContact CE-CG 4.43Å; M228-Y257 HydrophobicContact CG-CE1 4.41Å; M228-Y257 HydrophobicContact SD-CD1 4.11Å; M228-Y257 HydrophobicContact SD-CD2 4.06Å; M228-Y257 HydrophobicContact SD-CE1 4.08Å; M228-Y257 HydrophobicContact SD-CE2 4.07Å; M228-Y257 HydrophobicContact SD-CG 4.13Å; I241-Y257 CarbonylContact O-C 3.56Å; I241-Y257 WeakPolarHBondContact O-CA 3.3Å; I241-Y257 VanDerWaalsContact O-CB 3.29Å; I241-Y257 WeakPolarHBondContact O-CB 3.3Å; V242-Y257 HydrophobicContact CB-CD1 4.37Å; V242-Y257 HydrophobicContact CB-CE1 4.36Å; V242-Y257 HydrophobicContact CG2-CD1 3.99Å; V242-Y257 HydrophobicContact CG2-CE1 3.64Å; G255-Y257 VanDerWaalsContact C-CE2 3.45Å; G255-Y257 WeakPolarHBondContact O-CD2 3.49Å; G255-Y257 VanDerWaalsContact O-CE2 3.3Å; G255-Y257 WeakPolarHBondContact O-CE2 3.47Å; Y257-R259 PolarHBondContact O-N 3.02Å |
| 258 | A | 98.4 | Very high | 92 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 2% | 0.017 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 126.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | D129 G240 I241 V260 Y263 | D129-A258 WeakPolarHBondContact O-CB 3.46Å; G240-A258 CarbonylContact C-O 3.5Å; G240-A258 VanDerWaalsContact CA-O 3.25Å; G240-A258 WeakPolarHBondContact CA-O 3.24Å; I241-A258 HydrophobicContact CB-CB 4.19Å; I241-A258 HydrophobicContact CD1-CB 4.44Å; I241-A258 PolarHBondContact N-O 3.45Å; I241-A258 PolarHBondContact O-N 3.21Å; A258-V260 PolarHBondContact O-N 2.69Å; A258-Y263 HydrophobicContact CB-CE2 3.93Å |
| 259 | R | 98.4 | Very high | 93 | Very high | 27 Ų | 27 | 40.5 Ų | 40.5 | 10% | 0.102 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 101.3 | -174.1 | -176.6 | -176.7 | -65.7 | -88.6 | -0.4 | 111.2 | N193 S205 N206 M207 I208 Y257 S261 R262 Y263 | N193-R259 PolarHBondContact OD1-NH2 2.88Å; S205-R259 PolarHBondContact O-NE 2.69Å; N206-R259 VanDerWaalsContact O-CB 3.3Å; N206-R259 WeakPolarHBondContact O-CB 3.33Å; N206-R259 PolarHBondContact O-N 2.78Å; M207-R259 VanDerWaalsContact O-CZ 3.32Å; M207-R259 PolarHBondContact O-NE 2.88Å; M207-R259 PolarHBondContact O-NH2 2.68Å; I208-R259 HydrophobicContact CB-CB 4.17Å; I208-R259 HydrophobicContact CB-CG 4.31Å; I208-R259 HydrophobicContact CG2-CB 4.16Å; Y257-R259 PolarHBondContact O-N 3.02Å; R259-S261 PolarHBondContact O-N 3.42Å; R259-S261 VanDerWaalsContact O-N 3.08Å; R259-R262 HydrophobicContact CB-CG 4.11Å; R259-R262 HydrophobicContact CG-CG 3.99Å; R259-R262 WeakPolarHBondContact O-CB 3.29Å; R259-R262 PolarHBondContact O-N 3.06Å; R259-Y263 WeakPolarHBondContact O-CD2 3.46Å; R259-Y263 VanDerWaalsContact O-CE2 3.25Å; R259-Y263 WeakPolarHBondContact O-CE2 3.49Å |
| 260 | V | 98.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -51.4 | -39.9 | -173.8 | 173.5 | 0 | 0 | 0 | 0 | 113.5 | L77 L150 A151 Q238 S239 I241 A258 R262 Y263 | L77-V260 HydrophobicContact CD2-CG2 4.33Å; L150-V260 HydrophobicContact CB-CG1 4.12Å; L150-V260 HydrophobicContact CD2-CG1 3.92Å; A151-V260 HydrophobicContact CB-CB 4.4Å; A151-V260 HydrophobicContact CB-CG1 4.31Å; Q238-V260 HydrophobicContact CG-CG2 4.08Å; Q238-V260 WeakPolarHBondContact O-CB 3.03Å; S239-V260 PolarHBondContact O-N 3.21Å; S239-V260 VanDerWaalsContact O-N 3.15Å; I241-V260 HydrophobicContact CD1-CG2 4.33Å; I241-V260 HydrophobicContact CG1-CG2 3.9Å; A258-V260 PolarHBondContact O-N 2.69Å; V260-R262 PolarHBondContact O-N 2.67Å; V260-Y263 PolarHBondContact O-N 3.22Å |
| 261 | S | 98 | Very high | 94.6 | Very high | 12 Ų | 12 | 39.1 Ų | 39.1 | 8% | 0.084 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -62.8 | -15.5 | -179 | 60 | 0 | 0 | 0 | 0 | 114.7 | A151 A152 A153 R259 | A151-S261 WeakPolarHBondContact O-CA 3Å; A152-S261 VanDerWaalsContact O-CB 3.26Å; A152-S261 WeakPolarHBondContact O-CB 3.41Å; A153-S261 WeakPolarHBondContact CA-O 3.02Å; R259-S261 PolarHBondContact O-N 3.42Å; R259-S261 VanDerWaalsContact O-N 3.08Å |
| 262 | R | 98.1 | Very high | 94.6 | Very high | 144 Ų | 144 | 38.7 Ų | 38.7 | 54% | 0.543 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -82.6 | -17 | 175.5 | -64.7 | -72.4 | -173.2 | -160.3 | -2.8 | 113.1 | S205 R259 V260 | S205-R262 PolarHBondContact O-NE 3.05Å; R259-R262 HydrophobicContact CB-CG 4.11Å; R259-R262 HydrophobicContact CG-CG 3.99Å; R259-R262 WeakPolarHBondContact O-CB 3.29Å; R259-R262 PolarHBondContact O-N 3.06Å; V260-R262 PolarHBondContact O-N 2.67Å |
| 263 | Y | 98.1 | Very high | 94 | Very high | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.016 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -108.1 | 7.7 | -173.4 | -51.5 | -72.3 | 0 | 0 | 0 | 113.5 | H118 N128 V130 N206 A258 R259 V260 N265 W266 I267 | H118-Y263 AromaticContact CD2-CD1 3.99Å; N128-Y263 WeakPolarHBondContact CA-OH 3.32Å; N128-Y263 HydrophobicContact CB-CE1 4.31Å; V130-Y263 HydrophobicContact CB-CD2 4.43Å; V130-Y263 HydrophobicContact CB-CE2 4.47Å; V130-Y263 HydrophobicContact CB-CG 4.5Å; V130-Y263 HydrophobicContact CG1-CD1 3.63Å; V130-Y263 HydrophobicContact CG1-CD2 4.24Å; V130-Y263 HydrophobicContact CG1-CE1 3.75Å; V130-Y263 HydrophobicContact CG1-CE2 4.35Å; V130-Y263 HydrophobicContact CG1-CG 3.87Å; N206-Y263 WeakPolarHBondContact CB-OH 3.48Å; N206-Y263 PolarHBondContact O-OH 2.84Å; A258-Y263 HydrophobicContact CB-CE2 3.93Å; R259-Y263 WeakPolarHBondContact O-CD2 3.46Å; R259-Y263 VanDerWaalsContact O-CE2 3.25Å; R259-Y263 WeakPolarHBondContact O-CE2 3.49Å; V260-Y263 PolarHBondContact O-N 3.22Å; Y263-N265 VanDerWaalsContact C-N 3.32Å; Y263-N265 PolarHBondContact O-N 3.18Å; Y263-W266 PolarHBondContact O-N 3.49Å; Y263-I267 WeakPolarHBondContact O-CB 3.43Å; Y263-I267 VanDerWaalsContact O-CG1 3.23Å; Y263-I267 WeakPolarHBondContact O-CG1 3.48Å; Y263-I267 PolarHBondContact O-N 3.29Å |
| 264 | Q | 96.9 | Very high | 93.2 | Very high | 47 Ų | 47 | 40 Ų | 40 | 22% | 0.22 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -51.8 | -48.4 | -178.3 | 169.9 | 172.5 | -36.1 | 0 | 0 | 112.7 | A153 I267 S268 F278 | A153-Q264 HydrophobicContact CB-CB 4.25Å; Q264-I267 PolarHBondContact O-N 3.08Å; Q264-S268 WeakPolarHBondContact O-CB 3.39Å; Q264-S268 PolarHBondContact O-N 3.01Å; Q264-S268 PolarHBondContact O-OG 3.1Å; Q264-F278 HydrophobicContact CB-CD1 4.21Å; Q264-F278 HydrophobicContact CB-CE1 3.69Å; Q264-F278 HydrophobicContact CB-CZ 3.97Å; Q264-F278 HydrophobicContact CG-CD1 3.93Å; Q264-F278 HydrophobicContact CG-CD2 4.15Å; Q264-F278 HydrophobicContact CG-CE1 3.68Å; Q264-F278 HydrophobicContact CG-CE2 3.9Å; Q264-F278 HydrophobicContact CG-CG 4.16Å; Q264-F278 HydrophobicContact CG-CZ 3.68Å |
| 265 | N | 95.8 | Very high | 92.3 | Very high | 110 Ų | 110 | 41.2 Ų | 41.2 | 59% | 0.588 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -63.1 | -51.8 | -176.9 | -68.9 | -7.7 | 0 | 0 | 0 | 110.7 | Y263 I267 S268 E269 | Y263-N265 VanDerWaalsContact C-N 3.32Å; Y263-N265 PolarHBondContact O-N 3.18Å; N265-I267 PolarHBondContact O-N 3.1Å; N265-S268 PolarHBondContact O-N 2.84Å; N265-S268 VanDerWaalsContact O-N 3.15Å; N265-E269 WeakPolarHBondContact O-CG 3.34Å; N265-E269 PolarHBondContact O-N 2.76Å |
| 266 | W | 97.4 | Very high | 91.8 | Very high | 21 Ų | 21 | 42.3 Ų | 42.3 | 8% | 0.08 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.6 | -46.8 | 177.8 | 175.2 | 80.1 | 0 | 0 | 0 | 112.1 | I116 H118 V130 L132 Y263 S268 E269 Q270 | I116-W266 HydrophobicContact CG2-CZ2 4.14Å; H118-W266 HydrophobicContact CB-CZ2 4.31Å; H118-W266 AromaticContact CD2-CD1 3.8Å; H118-W266 AromaticContact CD2-CD2 3.57Å; H118-W266 AromaticContact CD2-CE2 3.8Å; H118-W266 AromaticContact CD2-CG 3.61Å; H118-W266 AromaticContact CD2-NE1 3.9Å; H118-W266 AromaticContact NE2-CD1 3.96Å; H118-W266 AromaticContact NE2-CG 3.86Å; V130-W266 HydrophobicContact CB-CZ3 4.44Å; V130-W266 HydrophobicContact CG1-CE3 4.14Å; V130-W266 HydrophobicContact CG1-CH2 4.33Å; V130-W266 HydrophobicContact CG1-CZ3 3.86Å; V130-W266 HydrophobicContact CG2-CH2 4.45Å; V130-W266 HydrophobicContact CG2-CZ3 3.77Å; L132-W266 HydrophobicContact CB-CH2 4.34Å; L132-W266 HydrophobicContact CD1-CE3 4.41Å; L132-W266 HydrophobicContact CD1-CH2 3.79Å; L132-W266 HydrophobicContact CD1-CZ2 4.45Å; L132-W266 HydrophobicContact CD1-CZ3 3.75Å; L132-W266 HydrophobicContact CG-CH2 3.77Å; L132-W266 HydrophobicContact CG-CZ3 3.81Å; Y263-W266 PolarHBondContact O-N 3.49Å; W266-S268 VanDerWaalsContact C-N 3.33Å; W266-S268 PolarHBondContact O-N 2.75Å; W266-E269 PolarHBondContact O-N 3.21Å; W266-Q270 HydrophobicContact CD2-CG 4.44Å; W266-Q270 HydrophobicContact CZ2-CG 4.21Å; W266-Q270 WeakPolarHBondContact O-CG 3.42Å; W266-Q270 PolarHBondContact O-N 2.83Å; W266-Q270 VanDerWaalsContact O-N 3.14Å |
| 267 | I | 97.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.9 | -46.8 | 177.1 | -67.5 | 172.8 | 0 | 0 | 0 | 110.1 | I71 L77 L150 Y263 Q264 N265 E269 Q270 L271 L276 F278 | I71-I267 HydrophobicContact CD1-CG2 4.36Å; L77-I267 HydrophobicContact CD1-CD1 4.03Å; L77-I267 HydrophobicContact CD2-CD1 4.49Å; L150-I267 HydrophobicContact CD1-CD1 4.17Å; L150-I267 HydrophobicContact CD1-CG2 4.13Å; Y263-I267 WeakPolarHBondContact O-CB 3.43Å; Y263-I267 VanDerWaalsContact O-CG1 3.23Å; Y263-I267 WeakPolarHBondContact O-CG1 3.48Å; Y263-I267 PolarHBondContact O-N 3.29Å; Q264-I267 PolarHBondContact O-N 3.08Å; N265-I267 PolarHBondContact O-N 3.1Å; I267-E269 VanDerWaalsContact C-N 3.34Å; I267-E269 PolarHBondContact O-N 3.18Å; I267-Q270 PolarHBondContact O-N 3.08Å; I267-L271 HydrophobicContact CG2-CD1 3.85Å; I267-L271 WeakPolarHBondContact O-CD1 3.44Å; I267-L271 PolarHBondContact O-N 3.3Å; I267-L276 HydrophobicContact CG2-CD1 3.41Å; I267-L276 VanDerWaalsContact CG2-CD1 3.41Å; I267-F278 HydrophobicContact CB-CZ 4.18Å; I267-F278 HydrophobicContact CG2-CZ 4.02Å |
| 268 | S | 94.9 | Very high | 91.3 | Very high | 46 Ų | 46 | 44.7 Ų | 44.7 | 32% | 0.322 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -63.1 | -40.1 | -179 | -56.4 | 0 | 0 | 0 | 0 | 112 | Q264 N265 W266 Q270 L271 G272 F278 | Q264-S268 WeakPolarHBondContact O-CB 3.39Å; Q264-S268 PolarHBondContact O-N 3.01Å; Q264-S268 PolarHBondContact O-OG 3.1Å; N265-S268 PolarHBondContact O-N 2.84Å; N265-S268 VanDerWaalsContact O-N 3.15Å; W266-S268 VanDerWaalsContact C-N 3.33Å; W266-S268 PolarHBondContact O-N 2.75Å; S268-Q270 VanDerWaalsContact C-N 3.35Å; S268-Q270 PolarHBondContact O-N 3.49Å; S268-L271 PolarHBondContact O-N 3.33Å; S268-G272 PolarHBondContact O-N 3.19Å; S268-F278 WeakPolarHBondContact OG-CE2 3.21Å |
| 269 | E | 94.7 | Very high | 91 | Very high | 140 Ų | 140 | 46.1 Ų | 46.1 | 65% | 0.654 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -62 | -39.7 | 176.5 | -73.7 | 168.8 | -171.9 | 0 | 0 | 112.4 | N265 W266 I267 | N265-E269 WeakPolarHBondContact O-CG 3.34Å; N265-E269 PolarHBondContact O-N 2.76Å; W266-E269 PolarHBondContact O-N 3.21Å; I267-E269 VanDerWaalsContact C-N 3.34Å; I267-E269 PolarHBondContact O-N 3.18Å |
| 270 | Q | 94.5 | Very high | 90.9 | Very high | 56 Ų | 56 | 48.8 Ų | 48.8 | 26% | 0.262 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -72.4 | -34 | -179.8 | -63.5 | -47.5 | -47 | 0 | 0 | 113.5 | I116 L132 W266 I267 S268 | I116-Q270 HydrophobicContact CD1-CB 4.37Å; I116-Q270 HydrophobicContact CD1-CG 4.48Å; I116-Q270 HydrophobicContact CG2-CG 4.3Å; L132-Q270 HydrophobicContact CD1-CB 3.54Å; L132-Q270 HydrophobicContact CD1-CG 3.86Å; W266-Q270 HydrophobicContact CD2-CG 4.44Å; W266-Q270 HydrophobicContact CZ2-CG 4.21Å; W266-Q270 WeakPolarHBondContact O-CG 3.42Å; W266-Q270 PolarHBondContact O-N 2.83Å; W266-Q270 VanDerWaalsContact O-N 3.14Å; I267-Q270 PolarHBondContact O-N 3.08Å; S268-Q270 VanDerWaalsContact C-N 3.35Å; S268-Q270 PolarHBondContact O-N 3.49Å |
| 271 | L | 89.6 | Confident | 90.6 | Very high | 10 Ų | 10 | 49 Ų | 49 | 5% | 0.052 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -85.4 | -19.3 | -178.3 | -83.1 | 86.6 | 0 | 0 | 0 | 113.1 | I71 W75 L132 I267 S268 A273 D274 L276 | I71-L271 HydrophobicContact CD1-CD1 4.4Å; I71-L271 HydrophobicContact CD1-CD2 4.25Å; W75-L271 HydrophobicContact CB-CD2 3.91Å; W75-L271 HydrophobicContact CD2-CD1 4.14Å; W75-L271 HydrophobicContact CD2-CD2 4.05Å; W75-L271 HydrophobicContact CD2-CG 3.75Å; W75-L271 HydrophobicContact CE3-CD1 4.21Å; W75-L271 HydrophobicContact CE3-CG 4.3Å; W75-L271 HydrophobicContact CG-CD1 4.46Å; W75-L271 HydrophobicContact CG-CD2 3.59Å; W75-L271 HydrophobicContact CG-CG 3.87Å; W75-L271 HydrophobicContact CZ2-CG 4.14Å; W75-L271 HydrophobicContact CZ3-CD1 4.48Å; L132-L271 HydrophobicContact CD1-CD1 3.63Å; L132-L271 HydrophobicContact CD2-CD1 4.09Å; L132-L271 HydrophobicContact CG-CD1 4.49Å; I267-L271 HydrophobicContact CG2-CD1 3.85Å; I267-L271 WeakPolarHBondContact O-CD1 3.44Å; I267-L271 PolarHBondContact O-N 3.3Å; S268-L271 PolarHBondContact O-N 3.33Å; L271-A273 PolarHBondContact O-N 2.91Å; L271-A273 VanDerWaalsContact O-N 3.17Å; L271-D274 HydrophobicContact CB-CB 4.06Å; L271-D274 HydrophobicContact CD2-CB 4.12Å; L271-D274 PolarHBondContact O-N 3.31Å; L271-D274 VanDerWaalsContact O-N 3.15Å; L271-L276 HydrophobicContact CB-CD1 4.41Å; L271-L276 HydrophobicContact CD1-CD1 4.35Å; L271-L276 HydrophobicContact CD2-CD1 3.81Å; L271-L276 HydrophobicContact CD2-CD2 3.54Å; L271-L276 HydrophobicContact CD2-CG 3.78Å; L271-L276 HydrophobicContact CG-CD1 4.4Å |
| 272 | G | 83.8 | Confident | 90.3 | Very high | 60 Ų | 60 | 58.5 Ų | 58.5 | 62% | 0.619 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | -115.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S268 D274 | S268-G272 PolarHBondContact O-N 3.19Å; G272-D274 VanDerWaalsContact C-N 3.28Å; G272-D274 PolarHBondContact O-N 2.88Å |
| 273 | A | 71.4 | Confident | 89.3 | Confident | 105 Ų | 105 | 52.3 Ų | 52.3 | 87% | 0.868 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -5.2 | -179 | 0 | 0 | 0 | 0 | 0 | 113.8 | L271 P275 | L271-A273 PolarHBondContact O-N 2.91Å; L271-A273 VanDerWaalsContact O-N 3.17Å; A273-P275 WeakPolarHBondContact O-CD 3.01Å |
| 274 | D | 72.9 | Confident | 87.9 | Confident | 41 Ų | 41 | 56.4 Ų | 56.4 | 22% | 0.219 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -69.9 | 119.5 | 179.6 | -93.8 | -29.7 | 0 | 0 | 0 | 111 | H73 W75 L271 G272 L276 | H73-D274 IonicContact CE1-OD1 3.05Å; H73-D274 PolarHBondContact CE1-OD1 2.62Å; W75-D274 VanDerWaalsContact CD1-OD2 3.25Å; W75-D274 PolarHBondContact NE1-OD2 3.35Å; L271-D274 HydrophobicContact CB-CB 4.06Å; L271-D274 HydrophobicContact CD2-CB 4.12Å; L271-D274 PolarHBondContact O-N 3.31Å; L271-D274 VanDerWaalsContact O-N 3.15Å; G272-D274 VanDerWaalsContact C-N 3.28Å; G272-D274 PolarHBondContact O-N 2.88Å; D274-L276 PolarHBondContact O-N 3.42Å |
| 275 | P | 72.1 | Confident | 86 | Confident | 39 Ų | 39 | 59.5 Ų | 59.5 | 25% | 0.253 | 35% | 0.348 | S | S | . | . | trans | -80.5 | 115 | -171.1 | 29.5 | -32 | 0 | 0 | 0 | 111.1 | P23 V26 A273 | P23-P275 HydrophobicContact CB-CB 3.63Å; P23-P275 HydrophobicContact CB-CG 3Å; P23-P275 HydrophobicContact CG-CB 3.44Å; P23-P275 VanDerWaalsContact CG-CB 3.44Å; P23-P275 HydrophobicContact CG-CG 3.24Å; V26-P275 HydrophobicContact CG2-CB 3.83Å; A273-P275 WeakPolarHBondContact O-CD 3.01Å | ||
| 276 | L | 83.8 | Confident | 83.9 | Confident | 23 Ų | 23 | 57.2 Ų | 57.2 | 12% | 0.12 | 34% | 0.34 | C | S | . | . | trans | -94.9 | 143.2 | -179.5 | -73.5 | 172.7 | 0 | 0 | 0 | 112.8 | I71 L150 I267 L271 D274 F278 | I71-L276 HydrophobicContact CB-CD2 4.28Å; I71-L276 HydrophobicContact CD1-CD2 4.05Å; I71-L276 HydrophobicContact CG1-CD2 4.24Å; L150-L276 HydrophobicContact CD1-CD1 4.41Å; L150-L276 HydrophobicContact CD1-CD2 4.38Å; I267-L276 HydrophobicContact CG2-CD1 3.41Å; I267-L276 VanDerWaalsContact CG2-CD1 3.41Å; L271-L276 HydrophobicContact CB-CD1 4.41Å; L271-L276 HydrophobicContact CD1-CD1 4.35Å; L271-L276 HydrophobicContact CD2-CD1 3.81Å; L271-L276 HydrophobicContact CD2-CD2 3.54Å; L271-L276 HydrophobicContact CD2-CG 3.78Å; L271-L276 HydrophobicContact CG-CD1 4.4Å; D274-L276 PolarHBondContact O-N 3.42Å; L276-F278 VanDerWaalsContact C-N 3.26Å; L276-F278 HydrophobicContact CB-CD2 3.74Å; L276-F278 HydrophobicContact CB-CE2 3.68Å; L276-F278 HydrophobicContact CD1-CD2 4.38Å; L276-F278 HydrophobicContact CD1-CE2 3.48Å; L276-F278 VanDerWaalsContact CD1-CE2 3.48Å; L276-F278 HydrophobicContact CD1-CZ 3.98Å; L276-F278 HydrophobicContact CG-CE2 4.25Å; L276-F278 PolarHBondContact O-N 3.08Å | ||
| 277 | G | 87.8 | Confident | 81.2 | Confident | 3 Ų | 3 | 60.7 Ų | 60.7 | 3% | 0.031 | 37% | 0.374 | C | S | . | . | trans | -80.7 | 64 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | C149 L150 | C149-G277 CarbonylContact C-O 3.51Å; C149-G277 VanDerWaalsContact CA-O 3.26Å; C149-G277 WeakPolarHBondContact CA-O 3.25Å; C149-G277 VanDerWaalsContact CB-O 3.26Å; C149-G277 WeakPolarHBondContact CB-O 3.18Å; L150-G277 PolarHBondContact N-O 2.01Å | ||
| 278 | F | 94.2 | Very high | 78.5 | Confident | 47 Ų | 47 | 63.4 Ų | 63.4 | 21% | 0.206 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 126.2 | 170.5 | -76.2 | -74 | 0 | 0 | 0 | 110.5 | L150 A152 Q264 I267 S268 L276 | L150-F278 HydrophobicContact CB-CD1 3.57Å; L150-F278 HydrophobicContact CB-CE1 3.51Å; L150-F278 HydrophobicContact CB-CG 4.38Å; L150-F278 HydrophobicContact CB-CZ 4.29Å; L150-F278 HydrophobicContact CD1-CE1 3.86Å; L150-F278 HydrophobicContact CD1-CZ 3.83Å; L150-F278 HydrophobicContact CG-CE1 4.35Å; L150-F278 CarbonylContact O-C 3.58Å; L150-F278 WeakPolarHBondContact O-CA 3.5Å; A152-F278 HydrophobicContact CB-CB 4.12Å; Q264-F278 HydrophobicContact CB-CD1 4.21Å; Q264-F278 HydrophobicContact CB-CE1 3.69Å; Q264-F278 HydrophobicContact CB-CZ 3.97Å; Q264-F278 HydrophobicContact CG-CD1 3.93Å; Q264-F278 HydrophobicContact CG-CD2 4.15Å; Q264-F278 HydrophobicContact CG-CE1 3.68Å; Q264-F278 HydrophobicContact CG-CE2 3.9Å; Q264-F278 HydrophobicContact CG-CG 4.16Å; Q264-F278 HydrophobicContact CG-CZ 3.68Å; I267-F278 HydrophobicContact CB-CZ 4.18Å; I267-F278 HydrophobicContact CG2-CZ 4.02Å; S268-F278 WeakPolarHBondContact OG-CE2 3.21Å; L276-F278 VanDerWaalsContact C-N 3.26Å; L276-F278 HydrophobicContact CB-CD2 3.74Å; L276-F278 HydrophobicContact CB-CE2 3.68Å; L276-F278 HydrophobicContact CD1-CD2 4.38Å; L276-F278 HydrophobicContact CD1-CE2 3.48Å; L276-F278 VanDerWaalsContact CD1-CE2 3.48Å; L276-F278 HydrophobicContact CD1-CZ 3.98Å; L276-F278 HydrophobicContact CG-CE2 4.25Å; L276-F278 PolarHBondContact O-N 3.08Å |
| 279 | V | 94.1 | Very high | 76 | Confident | 32 Ų | 32 | 65.8 Ų | 65.8 | 19% | 0.194 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 128 | -179.1 | 177.6 | 0 | 0 | 0 | 0 | 109 | C149 L150 A152 S155 V237 F281 | C149-V279 HydrophobicContact CB-CB 4.41Å; C149-V279 HydrophobicContact CB-CG2 3.79Å; L150-V279 PolarHBondContact O-N 3.14Å; A152-V279 PolarHBondContact N-O 3.34Å; S155-V279 PolarHBondContact OG-O 2.79Å; V237-V279 HydrophobicContact CG2-CB 4.05Å; V237-V279 HydrophobicContact CG2-CG1 4.02Å; V279-F281 PolarHBondContact O-N 3.39Å |
| 280 | T | 94.4 | Very high | 73.2 | Confident | 83 Ų | 83 | 68.2 Ų | 68.2 | 51% | 0.509 | 42% | 0.422 | S | S | . | . | trans | -69.5 | 117.4 | 171.4 | -53.3 | 0 | 0 | 0 | 0 | 109.4 | R282 | T280-R282 HydrophobicContact CG2-CG 4.37Š| ||
| 281 | F | 94.3 | Very high | 70.9 | Confident | 5 Ų | 5 | 75.4 Ų | 75.4 | 2% | 0.022 | 45% | 0.446 | C | S | . | . | trans | -98.5 | 129.2 | 172.9 | -165.6 | -81.3 | 0 | 0 | 0 | 109.4 | S155 D156 F157 Q161 N232 V237 V279 | S155-F281 CarbonylContact C-O 3.51Å; S155-F281 VanDerWaalsContact CA-O 3.26Å; S155-F281 WeakPolarHBondContact CA-O 3.12Å; S155-F281 PolarHBondContact OG-N 3.35Å; D156-F281 PolarHBondContact N-O 2.98Å; F157-F281 AromaticContact CD1-CD1 3.53Å; F157-F281 HydrophobicContact CD1-CD1 3.53Å; F157-F281 AromaticContact CD1-CE1 3.7Å; F157-F281 HydrophobicContact CD1-CE1 3.7Å; F157-F281 HydrophobicContact CD1-CG 4.02Å; F157-F281 HydrophobicContact CD1-CZ 4.32Å; F157-F281 HydrophobicContact CE1-CB 3.77Å; F157-F281 AromaticContact CE1-CD1 3.36Å; F157-F281 HydrophobicContact CE1-CD1 3.36Å; F157-F281 AromaticContact CE1-CD2 3.76Å; F157-F281 HydrophobicContact CE1-CD2 3.76Å; F157-F281 AromaticContact CE1-CE1 3.82Å; F157-F281 HydrophobicContact CE1-CE1 3.82Å; F157-F281 HydrophobicContact CE1-CE2 4.15Å; F157-F281 AromaticContact CE1-CG 3.34Å; F157-F281 HydrophobicContact CE1-CG 3.34Å; F157-F281 HydrophobicContact CE1-CZ 4.19Å; F157-F281 HydrophobicContact CE2-CB 4.38Å; F157-F281 HydrophobicContact CG-CD1 4.3Å; F157-F281 HydrophobicContact CZ-CB 3.62Å; F157-F281 HydrophobicContact CZ-CD1 4.05Å; F157-F281 HydrophobicContact CZ-CD2 4.35Å; F157-F281 AromaticContact CZ-CG 3.77Å; F157-F281 HydrophobicContact CZ-CG 3.77Å; Q161-F281 HydrophobicContact CG-CE1 4.11Å; Q161-F281 HydrophobicContact CG-CZ 4.27Å; N232-F281 HydrophobicContact CB-CD2 3.92Å; N232-F281 HydrophobicContact CB-CE2 3.8Å; V237-F281 HydrophobicContact CB-CD2 4.18Å; V237-F281 HydrophobicContact CG2-CD2 4.21Å; V279-F281 PolarHBondContact O-N 3.39Å | ||
| 282 | R | 90.3 | Very high | 68.4 | Low | 211 Ų | 211 | 79.5 Ų | 79.5 | 80% | 0.796 | 48% | 0.482 | S | S | * | . | B | Isolated β-bridge | trans | -120.6 | 105 | 171.4 | -65.1 | -173.5 | -179.3 | 176.3 | 0.7 | 107.4 | T280 S284 | T280-R282 HydrophobicContact CG2-CG 4.37Å; R282-S284 PolarHBondContact O-N 3.39Å |
| 283 | G | 77.2 | Confident | 66.1 | Low | 14 Ų | 14 | 80.8 Ų | 80.8 | 14% | 0.144 | 49% | 0.486 | C | S | . | . | trans | -57.8 | 130.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | D156 L158 | D156-G283 PolarHBondContact O-N 2.77Å; L158-G283 WeakPolarHBondContact CD1-O 3.43Å | ||
| 284 | S | 68.6 | Low | 64.6 | Low | 90 Ų | 90 | 80.1 Ų | 80.1 | 63% | 0.629 | 48% | 0.481 | S | S | * | . | trans | -76.9 | 139.6 | 162.8 | -68.5 | 0 | 0 | 0 | 0 | 107.6 | R282 S286 | R282-S284 PolarHBondContact O-N 3.39Å; S284-S286 VanDerWaalsContact C-N 3.34Å; S284-S286 PolarHBondContact O-N 2.93Å | ||
| 285 | P | 56.8 | Low | 63 | Low | 112 Ų | 112 | 82.9 Ų | 82.9 | 73% | 0.727 | 50% | 0.504 | S | S | * | . | trans | -60.2 | 102.6 | 167 | -14 | 26.7 | 0 | 0 | 0 | 107 | L158 | L158-P285 HydrophobicContact CD1-CB 4.29Å; L158-P285 HydrophobicContact CD1-CG 3.98Å | ||
| 286 | S | 52 | Low | 61.5 | Low | 62 Ų | 62 | 87.4 Ų | 87.4 | 43% | 0.434 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 136.8 | 163.5 | 52 | 0 | 0 | 0 | 0 | 106.2 | S284 A288 | S284-S286 VanDerWaalsContact C-N 3.34Å; S284-S286 PolarHBondContact O-N 2.93Å; S286-A288 PolarHBondContact O-N 3.26Å |
| 287 | A | 41.8 | Very low | 59.3 | Low | 95 Ų | 95 | 93.3 Ų | 93.3 | 79% | 0.785 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -49 | 119.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||
| 288 | A | 40.3 | Very low | 56.9 | Low | 57 Ų | 57 | 98 Ų | 98 | 47% | 0.471 | 59% | 0.591 | S | S | . | * | P | Polyproline II helix | trans | -46.2 | 137.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 109 | S286 H290 | S286-A288 PolarHBondContact O-N 3.26Å; A288-H290 PolarHBondContact O-N 3.29Å; A288-H290 VanDerWaalsContact O-N 3.1Å |
| 289 | P | 41.3 | Very low | 54.3 | Low | 97 Ų | 97 | 100.5 Ų | 100.5 | 63% | 0.63 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 128.6 | 172.4 | 20.6 | -29.7 | 0 | 0 | 0 | 107.3 | W291 | P289-W291 PolarHBondContact O-N 3.34Å; P289-W291 PolarHBondContact O-NE1 3.04Å |
| 290 | H | 37.2 | Very low | 51.8 | Low | 190 Ų | 190 | 106.4 Ų | 106.4 | 88% | 0.88 | 65% | 0.65 | S | S | * | * | trans | -51.2 | 106 | -178.2 | -79.5 | -83.8 | 0 | 0 | 0 | 108.7 | A288 A292 | A288-H290 PolarHBondContact O-N 3.29Å; A288-H290 VanDerWaalsContact O-N 3.1Å; H290-A292 VanDerWaalsContact C-N 3.3Å; H290-A292 PolarHBondContact O-N 2.99Å | ||
| 291 | W | 45.7 | Very low | 49.1 | Very low | 207 Ų | 207 | 107.7 Ų | 107.7 | 78% | 0.784 | 66% | 0.662 | S | S | * | * | trans | -65.2 | 94.5 | 174.5 | -58.1 | 78.4 | 0 | 0 | 0 | 106.5 | P289 A293 | P289-W291 PolarHBondContact O-N 3.34Å; P289-W291 PolarHBondContact O-NE1 3.04Å; W291-A293 PolarHBondContact O-N 2.91Å | ||
| 292 | A | 35.8 | Very low | 46.4 | Very low | 97 Ų | 97 | 113 Ų | 113 | 80% | 0.802 | 70% | 0.698 | S | S | * | * | trans | -71.5 | 83.7 | 160.4 | 0 | 0 | 0 | 0 | 0 | 106.2 | H290 A294 | H290-A292 VanDerWaalsContact C-N 3.3Å; H290-A292 PolarHBondContact O-N 2.99Å; A292-A294 VanDerWaalsContact C-N 3.35Å; A292-A294 PolarHBondContact O-N 3.44Å | ||
| 293 | A | 36.8 | Very low | 44.1 | Very low | 86 Ų | 86 | 110 Ų | 110 | 71% | 0.711 | 70% | 0.697 | S | S | * | * | trans | -55 | 110.2 | 154.8 | 0 | 0 | 0 | 0 | 0 | 105.2 | W291 S295 | W291-A293 PolarHBondContact O-N 2.91Å; A293-S295 PolarHBondContact O-N 2.76Å | ||
| 294 | A | 38.6 | Very low | 42.4 | Very low | 91 Ų | 91 | 117 Ų | 117 | 75% | 0.752 | 73% | 0.73 | S | S | * | * | trans | -60.7 | 95.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 106.2 | A292 V296 | A292-A294 VanDerWaalsContact C-N 3.35Å; A292-A294 PolarHBondContact O-N 3.44Å; A294-V296 VanDerWaalsContact C-N 3.32Å; A294-V296 PolarHBondContact O-N 2.89Å | ||
| 295 | S | 39.8 | Very low | 41.1 | Very low | 100 Ų | 100 | 118.1 Ų | 118.1 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | trans | -61.9 | 100.4 | 169.3 | 45.5 | 0 | 0 | 0 | 0 | 106.4 | A293 L297 | A293-S295 PolarHBondContact O-N 2.76Å; S295-L297 PolarHBondContact O-N 2.91Å | ||
| 296 | V | 40.1 | Very low | 40.3 | Very low | 133 Ų | 133 | 119.9 Ų | 119.9 | 81% | 0.806 | 74% | 0.735 | S | S | * | * | trans | -62.4 | 95 | 164.4 | -179.3 | 0 | 0 | 0 | 0 | 105.8 | A294 P298 | A294-V296 VanDerWaalsContact C-N 3.32Å; A294-V296 PolarHBondContact O-N 2.89Å; V296-P298 WeakPolarHBondContact O-CD 3.42Å | ||
| 297 | L | 37.4 | Very low | 39.9 | Very low | 148 Ų | 148 | 125.7 Ų | 125.7 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | trans | -63.3 | 120.9 | 164.4 | -82.5 | 156.1 | 0 | 0 | 0 | 106.5 | S295 A299 | S295-L297 PolarHBondContact O-N 2.91Å; L297-A299 PolarHBondContact O-N 3.14Å; L297-A299 VanDerWaalsContact O-N 3.14Å | ||
| 298 | P | 37.2 | Very low | 39.8 | Very low | 100 Ų | 100 | 127.2 Ų | 127.2 | 65% | 0.649 | 78% | 0.775 | S | S | * | * | trans | -68.2 | 117.6 | 171.3 | 24.2 | -22.1 | 0 | 0 | 0 | 107 | V296 L300 | V296-P298 WeakPolarHBondContact O-CD 3.42Å; P298-L300 PolarHBondContact O-N 2.92Å | ||
| 299 | A | 40.7 | Very low | 39.8 | Very low | 101 Ų | 101 | 130.9 Ų | 130.9 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | trans | -59.9 | 101.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | L297 C301 | L297-A299 PolarHBondContact O-N 3.14Å; L297-A299 VanDerWaalsContact O-N 3.14Å; A299-C301 PolarHBondContact O-N 3.18Å; A299-C301 VanDerWaalsContact O-N 3.07Å | ||
| 300 | L | 41.8 | Very low | 39.7 | Very low | 155 Ų | 155 | 132.8 Ų | 132.8 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | trans | -65.2 | 109.3 | 168.2 | -104.3 | 93.9 | 0 | 0 | 0 | 107.8 | P298 C302 | P298-L300 PolarHBondContact O-N 2.92Å; L300-C302 PolarHBondContact O-N 3.07Å | ||
| 301 | C | 37.9 | Very low | 39.9 | Very low | 111 Ų | 111 | 129.4 Ų | 129.4 | 75% | 0.75 | 80% | 0.796 | S | S | * | * | trans | -68.1 | 104 | 169.1 | -152.5 | 0 | 0 | 0 | 0 | 108.1 | A299 L303 | A299-C301 PolarHBondContact O-N 3.18Å; A299-C301 VanDerWaalsContact O-N 3.07Å; C301-L303 PolarHBondContact O-N 3.12Å; C301-L303 VanDerWaalsContact O-N 3.12Å | ||
| 302 | C | 37.9 | Very low | 39.5 | Very low | 116 Ų | 116 | 124.6 Ų | 124.6 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | trans | -74.8 | 91 | 165 | -87 | 0 | 0 | 0 | 0 | 109 | L300 | L300-C302 PolarHBondContact O-N 3.07Š| ||
| 303 | L | 41.6 | Very low | 39.8 | Very low | 147 Ų | 147 | 126.4 Ų | 126.4 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | trans | -85.6 | 95.6 | 156.5 | -90.7 | 153.9 | 0 | 0 | 0 | 107.8 | C301 V305 | C301-L303 PolarHBondContact O-N 3.12Å; C301-L303 VanDerWaalsContact O-N 3.12Å; L303-V305 PolarHBondContact O-N 3.36Å | ||
| 304 | L | 40.8 | Very low | 40 | Very low | 162 Ų | 162 | 129.3 Ų | 129.3 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | trans | -82.5 | 97.5 | 161.7 | -94.2 | 155.3 | 0 | 0 | 0 | 107.9 | ||||
| 305 | V | 41.1 | Very low | 40.1 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 69% | 0.691 | 81% | 0.806 | S | S | * | * | trans | -85.1 | 131.8 | 154.7 | 175.9 | 0 | 0 | 0 | 0 | 106.8 | L303 | L303-V305 PolarHBondContact O-N 3.36Š| ||
| 306 | L | 40.7 | Very low | 40.1 | Very low | 148 Ų | 148 | 134.9 Ų | 134.9 | 78% | 0.775 | 82% | 0.815 | S | S | * | * | trans | -177.8 | 105.7 | 149.4 | -91.3 | 152.2 | 0 | 0 | 0 | 105.4 | ||||
| 307 | S | 43.9 | Very low | 40.1 | Very low | 184 Ų | 184 | 135.1 Ų | 135.1 | 100% | 1.287 | 82% | 0.816 | S | S | * | * | 69.8 | 0 | 102.3 | -57.6 | 0 | 0 | 0 | 0 | 113.4 |
Retrieved 307 of 307 residues in 173.1 ms
(Link to these results)