| 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 | 40 | Very low | 33.4 | Very low | 252 Ų | 252 | 122.4 Ų | 122.4 | 100% | 1.241 | 87% | 0.867 | S | S | * | * | 0 | 84.7 | 0 | -69.2 | 172.6 | 172.3 | 0 | 0 | 105.7 | |||||
| 2 | G | 32.9 | Very low | 33.8 | Very low | 81 Ų | 81 | 117.8 Ų | 117.8 | 84% | 0.835 | 85% | 0.853 | S | S | * | * | 94.9 | 70 | 61.9 | 0 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 3 | G | 30.6 | Very low | 34.6 | Very low | 79 Ų | 79 | 114.8 Ų | 114.8 | 81% | 0.814 | 84% | 0.837 | S | S | * | * | trans | -74.9 | 134.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A5 | G3-A5 PolarHBondContact O-N 3.23Š| ||
| 4 | E | 32.2 | Very low | 36.6 | Very low | 199 Ų | 199 | 116.6 Ų | 116.6 | 93% | 0.93 | 82% | 0.824 | S | S | * | * | trans | -67.5 | 112.1 | 174.3 | -78.7 | 175.9 | 109.2 | 0 | 0 | 110.5 | G6 | E4-G6 PolarHBondContact O-N 3.24Š| ||
| 5 | A | 31.5 | Very low | 38.8 | Very low | 99 Ų | 99 | 109.1 Ų | 109.1 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -77.9 | 101.6 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | G3 C7 | G3-A5 PolarHBondContact O-N 3.23Å; A5-C7 PolarHBondContact O-N 3.14Å | ||
| 6 | G | 29.6 | Very low | 41.5 | Very low | 75 Ų | 75 | 113.1 Ų | 113.1 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | trans | -69.6 | 115.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | E4 A8 | E4-G6 PolarHBondContact O-N 3.24Å; G6-A8 PolarHBondContact O-N 3.27Å; G6-A8 VanDerWaalsContact O-N 3.11Å | ||
| 7 | C | 28.6 | Very low | 44.2 | Very low | 129 Ų | 129 | 107.6 Ų | 107.6 | 87% | 0.872 | 73% | 0.727 | S | S | * | * | trans | -41.3 | 108.8 | 175.5 | -90.1 | 0 | 0 | 0 | 0 | 113.7 | A5 A9 | A5-C7 PolarHBondContact O-N 3.14Å; C7-A9 VanDerWaalsContact C-N 3.34Å; C7-A9 PolarHBondContact O-N 3.47Å | ||
| 8 | A | 31.1 | Very low | 46.7 | Very low | 102 Ų | 102 | 108.6 Ų | 108.6 | 84% | 0.843 | 72% | 0.716 | S | S | * | * | trans | -69.3 | 95.7 | 152.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | G6 A10 | G6-A8 PolarHBondContact O-N 3.27Å; G6-A8 VanDerWaalsContact O-N 3.11Å; A8-A10 PolarHBondContact O-N 3.17Å | ||
| 9 | A | 34.3 | Very low | 49.1 | Very low | 88 Ų | 88 | 105.7 Ų | 105.7 | 73% | 0.727 | 70% | 0.698 | S | S | * | * | trans | -60.2 | 128.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | C7 V11 | C7-A9 VanDerWaalsContact C-N 3.34Å; C7-A9 PolarHBondContact O-N 3.47Å; A9-V11 PolarHBondContact O-N 2.95Å; A9-V11 VanDerWaalsContact O-N 3.1Å | ||
| 10 | A | 36.3 | Very low | 51.4 | Low | 97 Ų | 97 | 102.2 Ų | 102.2 | 80% | 0.802 | 67% | 0.673 | S | S | * | * | trans | -57.8 | 108 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A8 G12 | A8-A10 PolarHBondContact O-N 3.17Å; A10-G12 PolarHBondContact O-N 3.2Å | ||
| 11 | V | 40.4 | Very low | 53.5 | Low | 145 Ų | 145 | 98.3 Ų | 98.3 | 88% | 0.879 | 65% | 0.651 | S | S | * | * | trans | -78.7 | 70.2 | 160.6 | -173.8 | 0 | 0 | 0 | 0 | 107.5 | A9 | A9-V11 PolarHBondContact O-N 2.95Å; A9-V11 VanDerWaalsContact O-N 3.1Å | ||
| 12 | G | 38.6 | Very low | 56.1 | Low | 68 Ų | 68 | 86.4 Ų | 86.4 | 70% | 0.701 | 59% | 0.593 | S | S | * | * | trans | -136.4 | 17.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | A10 | A10-G12 PolarHBondContact O-N 3.2Š| ||
| 13 | A | 43.9 | Very low | 59.1 | Low | 78 Ų | 78 | 84.8 Ų | 84.8 | 65% | 0.645 | 57% | 0.567 | S | S | * | * | trans | -104.8 | 102.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | G15 | A13-G15 PolarHBondContact O-N 2.87Š| ||
| 14 | E | 63.1 | Low | 62.1 | Low | 140 Ų | 140 | 82.3 Ų | 82.3 | 65% | 0.654 | 53% | 0.533 | S | S | * | . | trans | -69.7 | 84 | 168 | -69.4 | -173.3 | 150.6 | 0 | 0 | 108.3 | R16 | E14-R16 PolarHBondContact O-N 2.94Š| ||
| 15 | G | 68.3 | Low | 64.9 | Low | 4 Ų | 4 | 79.4 Ų | 79.4 | 4% | 0.041 | 52% | 0.52 | C | S | . | . | P | Polyproline II helix | trans | -52.2 | 132.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A13 P49 R148 | A13-G15 PolarHBondContact O-N 2.87Å; G15-P49 VanDerWaalsContact CA-O 3.27Å; G15-P49 WeakPolarHBondContact CA-O 3.39Å; G15-R148 PolarHBondContact O-NH1 3.16Å; G15-R148 VanDerWaalsContact O-NH1 3.11Å |
| 16 | R | 82.2 | Confident | 67.4 | Low | 174 Ų | 174 | 78.3 Ų | 78.3 | 66% | 0.657 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -84 | 125.4 | -178.3 | -179.7 | 178.9 | -176.9 | -179 | 1.5 | 112.1 | E14 S47 | E14-R16 PolarHBondContact O-N 2.94Å; R16-S47 WeakPolarHBondContact CB-OG 3.36Å; R16-S47 PolarHBondContact O-N 3.23Å; R16-S47 VanDerWaalsContact O-N 3.07Å; R16-S47 PolarHBondContact O-OG 3.15Å |
| 17 | V | 87.4 | Confident | 69.6 | Low | 20 Ų | 20 | 81.3 Ų | 81.3 | 12% | 0.121 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 125.4 | 168 | 177.9 | 0 | 0 | 0 | 0 | 108.3 | L44 V50 L146 | V17-L44 HydrophobicContact CG1-CD1 3.52Å; V17-L44 HydrophobicContact CG2-CD1 4.31Å; V17-V50 HydrophobicContact CG2-CG1 4.02Å; V17-V50 HydrophobicContact CG2-CG2 4.1Å; V17-L146 HydrophobicContact CG1-CD2 4.49Å; V17-L146 HydrophobicContact CG2-CD2 3.84Å |
| 18 | K | 89.3 | Confident | 71.8 | Confident | 124 Ų | 124 | 86.7 Ų | 86.7 | 54% | 0.539 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | -45.5 | 176.3 | -68.7 | -178.2 | -175.5 | 177.4 | 0 | 111.8 | E45 S47 | K18-E45 HydrophobicContact CB-CB 4.24Å; K18-E45 HydrophobicContact CB-CG 4.31Å; K18-E45 WeakPolarHBondContact CB-O 3.17Å; K18-E45 HydrophobicContact CD-CG 3.99Å; K18-E45 WeakPolarHBondContact CD-OE1 3.24Å; K18-E45 PolarHBondContact N-O 2.89Å; K18-E45 IonicContact NZ-OE1 3.74Å; K18-E45 PolarHBondContact NZ-OE1 3.47Å; K18-S47 VanDerWaalsContact CE-CB 3.45Å |
| 19 | S | 92.8 | Very high | 74 | Confident | 54 Ų | 54 | 84.9 Ų | 84.9 | 38% | 0.378 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 147.1 | -177.3 | 67.4 | 0 | 0 | 0 | 0 | 111.7 | E45 | S19-E45 PolarHBondContact N-O 3.39Å; S19-E45 PolarHBondContact O-N 3.14Å; S19-E45 VanDerWaalsContact OG-CB 3.26Å; S19-E45 WeakPolarHBondContact OG-CB 3.43Å |
| 20 | L | 94.9 | Very high | 76.2 | Confident | 35 Ų | 35 | 83.6 Ų | 83.6 | 18% | 0.183 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 119.4 | 170.6 | 178 | 69.6 | 0 | 0 | 0 | 107.3 | V42 L43 L44 L146 V156 | L20-V42 HydrophobicContact CD1-CG1 3.8Å; L20-L43 CarbonylContact C-O 3.55Å; L20-L43 WeakPolarHBondContact CA-O 3.39Å; L20-L44 HydrophobicContact CD1-CB 4.49Å; L20-L44 HydrophobicContact CD1-CD1 4.09Å; L20-L146 HydrophobicContact CD2-CB 4.19Å; L20-V156 HydrophobicContact CD2-CB 4.35Å; L20-V156 HydrophobicContact CD2-CG1 3.99Å; L20-V156 HydrophobicContact CG-CB 4.34Å; L20-V156 HydrophobicContact CG-CG1 3.79Å |
| 21 | G | 95.2 | Very high | 78.8 | Confident | 22 Ų | 22 | 81.7 Ų | 81.7 | 23% | 0.227 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 152.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V42 L43 | G21-V42 CarbonylContact O-C 3.6Å; G21-V42 WeakPolarHBondContact O-CA 3.26Å; G21-L43 PolarHBondContact N-O 3.03Å; G21-L43 PolarHBondContact O-N 2.73Å |
| 22 | L | 95.8 | Very high | 81.3 | Confident | 1 Ų | 1 | 75.3 Ų | 75.3 | 1% | 0.005 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 125 | 171.1 | -173.6 | 152.7 | 0 | 0 | 0 | 108.3 | F24 V42 L57 F118 V142 A144 V156 R158 | L22-F24 HydrophobicContact CD2-CD1 4.31Å; L22-F24 HydrophobicContact CD2-CE1 3.83Å; L22-F24 HydrophobicContact CD2-CE2 4.48Å; L22-F24 HydrophobicContact CD2-CZ 3.93Å; L22-V42 HydrophobicContact CD1-CG2 4.47Å; L22-L57 HydrophobicContact CD1-CD1 3.71Å; L22-F118 HydrophobicContact CD2-CZ 4.35Å; L22-F118 HydrophobicContact CG-CE1 4.24Å; L22-F118 HydrophobicContact CG-CZ 4.46Å; L22-V142 HydrophobicContact CD1-CB 4.35Å; L22-V142 HydrophobicContact CD1-CG1 3.87Å; L22-A144 HydrophobicContact CD1-CB 3.98Å; L22-V156 HydrophobicContact CB-CG1 3.85Å; L22-R158 HydrophobicContact CB-CG 4.2Å; L22-R158 HydrophobicContact CD2-CB 3.76Å; L22-R158 HydrophobicContact CD2-CG 3.5Å; L22-R158 HydrophobicContact CG-CG 4.42Å; L22-R158 PolarHBondContact O-NE 3.49Å |
| 23 | V | 94.4 | Very high | 84 | Confident | 48 Ų | 48 | 72.6 Ų | 72.6 | 29% | 0.291 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 130.9 | -174.5 | -176.9 | 0 | 0 | 0 | 0 | 108.3 | G40 H41 L43 | V23-G40 CarbonylContact O-C 3.53Å; V23-G40 VanDerWaalsContact O-CA 3.24Å; V23-G40 WeakPolarHBondContact O-CA 3.14Å; V23-H41 PolarHBondContact N-O 2.82Å; V23-H41 PolarHBondContact O-N 3.4Å; V23-L43 HydrophobicContact CG2-CD1 3.75Å; V23-L43 HydrophobicContact CG2-CG 4.38Å |
| 24 | F | 94.6 | Very high | 86.3 | Confident | 26 Ų | 26 | 70.6 Ų | 70.6 | 11% | 0.114 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 145.6 | 171.9 | -63.2 | -55.5 | 0 | 0 | 0 | 109.5 | L22 D26 V38 F118 V142 R158 L160 | L22-F24 HydrophobicContact CD2-CD1 4.31Å; L22-F24 HydrophobicContact CD2-CE1 3.83Å; L22-F24 HydrophobicContact CD2-CE2 4.48Å; L22-F24 HydrophobicContact CD2-CZ 3.93Å; F24-D26 VanDerWaalsContact C-N 3.32Å; F24-D26 PolarHBondContact O-N 3.07Å; F24-V38 HydrophobicContact CD1-CG1 3.99Å; F24-V38 HydrophobicContact CE1-CG1 3.9Å; F24-F118 HydrophobicContact CD1-CE2 4.4Å; F24-F118 AromaticContact CD1-CZ 3.99Å; F24-F118 HydrophobicContact CD1-CZ 3.99Å; F24-F118 HydrophobicContact CE1-CE2 4.44Å; F24-F118 HydrophobicContact CE1-CZ 4.11Å; F24-V142 HydrophobicContact CE1-CB 4.14Å; F24-V142 HydrophobicContact CE1-CG2 3.84Å; F24-V142 HydrophobicContact CZ-CB 4.08Å; F24-V142 HydrophobicContact CZ-CG2 3.85Å; F24-R158 HydrophobicContact CE2-CB 3.77Å; F24-R158 HydrophobicContact CZ-CB 3.9Å; F24-L160 HydrophobicContact CZ-CD1 4.27Å |
| 25 | E | 91.1 | Very high | 87.8 | Confident | 139 Ų | 139 | 65 Ų | 65 | 65% | 0.65 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -65.4 | -38.7 | 179.9 | -172.8 | 167.7 | -141.4 | 0 | 0 | 111.5 | A39 | E25-A39 HydrophobicContact CB-CB 4.33Å; E25-A39 PolarHBondContact N-O 3.34Å; E25-A39 WeakPolarHBondContact OE2-CB 3.49Å |
| 26 | D | 83.4 | Confident | 89 | Confident | 75 Ų | 75 | 67.5 Ų | 67.5 | 40% | 0.401 | 35% | 0.347 | S | S | . | . | trans | -109.4 | 80.2 | 177.3 | -162.6 | -16.6 | 0 | 0 | 0 | 111.1 | F24 R28 K29 | F24-D26 VanDerWaalsContact C-N 3.32Å; F24-D26 PolarHBondContact O-N 3.07Å; D26-R28 PolarHBondContact O-N 3.11Å; D26-R28 PolarHBondContact OD1-N 3.35Å; D26-K29 HydrophobicContact CB-CB 3.88Å; D26-K29 WeakPolarHBondContact OD1-CB 3.37Å; D26-K29 PolarHBondContact OD1-N 3.36Å; D26-K29 VanDerWaalsContact OD2-CB 3.29Å; D26-K29 WeakPolarHBondContact OD2-CB 3.27Å | ||
| 27 | E | 75.8 | Confident | 89.6 | Confident | 139 Ų | 139 | 61.8 Ų | 61.8 | 65% | 0.65 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -68.7 | -16.1 | 175.1 | -65.1 | -160.8 | 147.2 | 0 | 0 | 112.9 | ||
| 28 | R | 75.8 | Confident | 89.9 | Confident | 242 Ų | 242 | 60.8 Ų | 60.8 | 91% | 0.913 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -87.3 | -25 | -179.2 | -64.5 | -175.6 | -178.3 | 179.6 | 1.9 | 112.3 | D26 G30 | D26-R28 PolarHBondContact O-N 3.11Å; D26-R28 PolarHBondContact OD1-N 3.35Å; R28-G30 PolarHBondContact O-N 3.4Å |
| 29 | K | 77.6 | Confident | 90.2 | Very high | 64 Ų | 64 | 55.6 Ų | 55.6 | 28% | 0.278 | 31% | 0.306 | S | S | . | . | trans | -67.2 | 82.6 | 169.8 | -175.5 | 172.6 | -170.8 | 179 | 0 | 109.6 | D26 C31 Y32 E36 | D26-K29 HydrophobicContact CB-CB 3.88Å; D26-K29 WeakPolarHBondContact OD1-CB 3.37Å; D26-K29 PolarHBondContact OD1-N 3.36Å; D26-K29 VanDerWaalsContact OD2-CB 3.29Å; D26-K29 WeakPolarHBondContact OD2-CB 3.27Å; K29-C31 WeakPolarHBondContact CG-O 3.23Å; K29-C31 PolarHBondContact O-N 3.27Å; K29-Y32 HydrophobicContact CD-CD1 4.42Å; K29-Y32 HydrophobicContact CD-CE1 4.06Å; K29-E36 WeakPolarHBondContact CE-OE1 3.27Å; K29-E36 WeakPolarHBondContact CE-OE2 3.38Å; K29-E36 IonicContact NZ-OE1 2.87Å; K29-E36 PolarHBondContact NZ-OE1 3.15Å; K29-E36 IonicContact NZ-OE2 3.75Å; K29-E36 PolarHBondContact NZ-OE2 2.81Å | ||
| 30 | G | 79.9 | Confident | 90.3 | Very high | 61 Ų | 61 | 53.1 Ų | 53.1 | 63% | 0.629 | 29% | 0.289 | S | S | * | . | trans | -62.4 | -12.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | R28 Q161 | R28-G30 PolarHBondContact O-N 3.4Å; G30-Q161 WeakPolarHBondContact O-CB 3.45Å | ||
| 31 | C | 90.7 | Very high | 90.4 | Very high | 56 Ų | 56 | 54.3 Ų | 54.3 | 38% | 0.378 | 29% | 0.293 | S | S | . | . | trans | -150.2 | 155.8 | 175 | 62.3 | 0 | 0 | 0 | 0 | 112.6 | K29 Q161 V163 | K29-C31 WeakPolarHBondContact CG-O 3.23Å; K29-C31 PolarHBondContact O-N 3.27Å; C31-Q161 CarbonylContact C-O 3.56Å; C31-Q161 VanDerWaalsContact CA-O 3.31Å; C31-Q161 WeakPolarHBondContact CA-O 3.41Å; C31-Q161 HydrophobicContact CB-CB 4.44Å; C31-V163 HydrophobicContact CB-CB 4.5Å; C31-V163 HydrophobicContact CB-CG2 3.78Å | ||
| 32 | Y | 93.5 | Very high | 90.5 | Very high | 11 Ų | 11 | 53.3 Ų | 53.3 | 4% | 0.043 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -118.8 | 154.4 | 177.2 | -66.2 | -99.3 | 0 | 0 | 0 | 111.2 | K29 E36 V38 L160 Q161 V162 V163 | K29-Y32 HydrophobicContact CD-CD1 4.42Å; K29-Y32 HydrophobicContact CD-CE1 4.06Å; Y32-E36 WeakPolarHBondContact CA-OE2 3.41Å; Y32-V38 HydrophobicContact CD1-CG2 3.77Å; Y32-V38 HydrophobicContact CE1-CB 4.41Å; Y32-V38 HydrophobicContact CE1-CG1 4.47Å; Y32-V38 HydrophobicContact CE1-CG2 3.87Å; Y32-V38 HydrophobicContact CG-CG2 4.4Å; Y32-L160 HydrophobicContact CD1-CD1 4.44Å; Y32-L160 HydrophobicContact CD2-CD1 3.27Å; Y32-L160 HydrophobicContact CD2-CG 3.91Å; Y32-L160 HydrophobicContact CE1-CD1 4.48Å; Y32-L160 HydrophobicContact CE2-CD1 3.36Å; Y32-L160 HydrophobicContact CE2-CG 4.45Å; Y32-L160 HydrophobicContact CG-CD1 3.87Å; Y32-L160 HydrophobicContact CG-CG 4.33Å; Y32-Q161 PolarHBondContact N-O 3.49Å; Y32-V162 CarbonylContact O-C 3.52Å; Y32-V162 VanDerWaalsContact O-CA 3.23Å; Y32-V162 WeakPolarHBondContact O-CA 3.43Å; Y32-V163 PolarHBondContact O-N 3.44Å |
| 33 | S | 93.6 | Very high | 90.5 | Very high | 11 Ų | 11 | 56 Ų | 56 | 8% | 0.077 | 30% | 0.297 | C | S | . | . | trans | -125.8 | 165.5 | 177.7 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | E36 L122 V163 H165 | S33-E36 PolarHBondContact N-OE2 2.86Å; S33-E36 VanDerWaalsContact O-CB 3.3Å; S33-E36 WeakPolarHBondContact O-CB 3.44Å; S33-E36 WeakPolarHBondContact O-CG 3.38Å; S33-E36 PolarHBondContact O-N 2.89Å; S33-E36 VanDerWaalsContact O-N 3.16Å; S33-L122 WeakPolarHBondContact O-CD1 3.46Å; S33-V163 PolarHBondContact OG-O 3Å; S33-H165 PolarHBondContact OG-CD2 2.85Å; S33-H165 PolarHBondContact OG-NE2 3.49Å | ||
| 34 | S | 93.6 | Very high | 90.6 | Very high | 37 Ų | 37 | 54 Ų | 54 | 26% | 0.259 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 141.1 | 176.1 | -45 | 0 | 0 | 0 | 0 | 111.6 | E36 E125 L127 | S34-E36 PolarHBondContact O-N 2.97Å; S34-E125 WeakPolarHBondContact CB-O 3.44Å; S34-E125 PolarHBondContact OG-O 2.85Å; S34-L127 PolarHBondContact OG-N 2.81Å |
| 35 | G | 92.9 | Very high | 90.6 | Very high | 22 Ų | 22 | 55.2 Ų | 55.2 | 23% | 0.227 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76 | -8.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q121 L122 P123 | G35-Q121 VanDerWaalsContact O-CG 3.3Å; G35-Q121 WeakPolarHBondContact O-CG 3.33Å; G35-Q121 PolarHBondContact O-NE2 3.35Å; G35-L122 WeakPolarHBondContact CA-O 3.33Å; G35-L122 PolarHBondContact N-O 3.07Å; G35-P123 PolarHBondContact N-O 3Å |
| 36 | E | 93.8 | Very high | 90.7 | Very high | 57 Ų | 57 | 48.7 Ų | 48.7 | 27% | 0.266 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -74.1 | 153.8 | 177.5 | -65 | -162.8 | 127.1 | 0 | 0 | 112.7 | K29 Y32 S33 S34 L122 | K29-E36 WeakPolarHBondContact CE-OE1 3.27Å; K29-E36 WeakPolarHBondContact CE-OE2 3.38Å; K29-E36 IonicContact NZ-OE1 2.87Å; K29-E36 PolarHBondContact NZ-OE1 3.15Å; K29-E36 IonicContact NZ-OE2 3.75Å; K29-E36 PolarHBondContact NZ-OE2 2.81Å; Y32-E36 WeakPolarHBondContact CA-OE2 3.41Å; S33-E36 PolarHBondContact N-OE2 2.86Å; S33-E36 VanDerWaalsContact O-CB 3.3Å; S33-E36 WeakPolarHBondContact O-CB 3.44Å; S33-E36 WeakPolarHBondContact O-CG 3.38Å; S33-E36 PolarHBondContact O-N 2.89Å; S33-E36 VanDerWaalsContact O-N 3.16Å; S34-E36 PolarHBondContact O-N 2.97Å; E36-L122 WeakPolarHBondContact O-CB 3.38Å; E36-L122 PolarHBondContact O-N 2.95Å |
| 37 | T | 94.4 | Very high | 91 | Very high | 53 Ų | 53 | 47.1 Ų | 47.1 | 33% | 0.325 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 130.3 | 175.8 | -61.3 | 0 | 0 | 0 | 0 | 110.6 | R119 F120 | T37-R119 HydrophobicContact CG2-CG 3.34Å; T37-F120 WeakPolarHBondContact CA-O 3.31Å |
| 38 | V | 95 | Very high | 91.8 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 122.1 | 169.9 | -175.6 | 0 | 0 | 0 | 0 | 107.7 | F24 Y32 F118 R119 F120 L122 L160 | F24-V38 HydrophobicContact CD1-CG1 3.99Å; F24-V38 HydrophobicContact CE1-CG1 3.9Å; Y32-V38 HydrophobicContact CD1-CG2 3.77Å; Y32-V38 HydrophobicContact CE1-CB 4.41Å; Y32-V38 HydrophobicContact CE1-CG1 4.47Å; Y32-V38 HydrophobicContact CE1-CG2 3.87Å; Y32-V38 HydrophobicContact CG-CG2 4.4Å; V38-F118 HydrophobicContact CG1-CE2 4.4Å; V38-R119 WeakPolarHBondContact O-CA 3.26Å; V38-F120 HydrophobicContact CB-CD1 4.46Å; V38-F120 HydrophobicContact CB-CD2 4.42Å; V38-F120 HydrophobicContact CB-CE1 3.94Å; V38-F120 HydrophobicContact CB-CE2 3.89Å; V38-F120 HydrophobicContact CB-CZ 3.62Å; V38-F120 HydrophobicContact CG1-CE1 3.98Å; V38-F120 HydrophobicContact CG1-CZ 3.78Å; V38-F120 HydrophobicContact CG2-CE2 4.01Å; V38-F120 HydrophobicContact CG2-CZ 4.06Å; V38-F120 PolarHBondContact N-O 3.14Å; V38-F120 PolarHBondContact O-N 3.1Å; V38-L122 HydrophobicContact CG2-CD1 4.18Å; V38-L122 HydrophobicContact CG2-CD2 4.23Å; V38-L122 HydrophobicContact CG2-CG 3.98Å; V38-L160 HydrophobicContact CG1-CD1 4.21Å; V38-L160 HydrophobicContact CG2-CD1 4.18Å; V38-L160 HydrophobicContact CG2-CD2 4.05Å |
| 39 | A | 95.5 | Very high | 92.5 | Very high | 15 Ų | 15 | 36 Ų | 36 | 12% | 0.124 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 155.2 | -180 | 0 | 0 | 0 | 0 | 0 | 110.8 | E25 F118 R119 | E25-A39 HydrophobicContact CB-CB 4.33Å; E25-A39 PolarHBondContact N-O 3.34Å; E25-A39 WeakPolarHBondContact OE2-CB 3.49Å; A39-F118 WeakPolarHBondContact CA-O 3.29Å; A39-R119 HydrophobicContact CB-CB 4.5Å; A39-R119 HydrophobicContact CB-CG 4.13Å |
| 40 | G | 95.7 | Very high | 93.1 | Very high | 2 Ų | 2 | 33 Ų | 33 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 171.5 | -165.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V23 P117 F118 | V23-G40 CarbonylContact O-C 3.53Å; V23-G40 VanDerWaalsContact O-CA 3.24Å; V23-G40 WeakPolarHBondContact O-CA 3.14Å; G40-P117 WeakPolarHBondContact O-CA 3.33Å; G40-F118 VanDerWaalsContact C-CD1 3.47Å; G40-F118 PolarHBondContact N-O 2.87Å; G40-F118 WeakPolarHBondContact O-CD1 3.38Å; G40-F118 PolarHBondContact O-N 2.89Å |
| 41 | H | 96.1 | Very high | 93.6 | Very high | 60 Ų | 60 | 31.4 Ų | 31.4 | 28% | 0.278 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 139.4 | -175.7 | -58.4 | 84.5 | 0 | 0 | 0 | 110.8 | V23 L43 F118 | V23-H41 PolarHBondContact N-O 2.82Å; V23-H41 PolarHBondContact O-N 3.4Å; H41-L43 HydrophobicContact CB-CD2 4.15Å; H41-F118 VanDerWaalsContact N-CE1 3.32Å |
| 42 | V | 97 | Very high | 93.6 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 122.3 | 163.6 | -179.6 | 0 | 0 | 0 | 0 | 108 | L20 G21 L22 L55 L57 L97 F116 F118 A144 | L20-V42 HydrophobicContact CD1-CG1 3.8Å; G21-V42 CarbonylContact O-C 3.6Å; G21-V42 WeakPolarHBondContact O-CA 3.26Å; L22-V42 HydrophobicContact CD1-CG2 4.47Å; V42-L55 HydrophobicContact CG1-CD1 4.3Å; V42-L55 HydrophobicContact CG1-CD2 4.25Å; V42-L57 HydrophobicContact CG2-CD1 3.96Å; V42-L97 HydrophobicContact CB-CD1 4.08Å; V42-L97 HydrophobicContact CG2-CD1 3.51Å; V42-F116 HydrophobicContact CB-CB 4.34Å; V42-F116 PolarHBondContact N-O 2.79Å; V42-F116 PolarHBondContact O-N 3.48Å; V42-F118 HydrophobicContact CG2-CD1 4.01Å; V42-F118 HydrophobicContact CG2-CE1 4.22Å; V42-A144 HydrophobicContact CG1-CB 3.89Å; V42-A144 HydrophobicContact CG2-CB 3.75Å |
| 43 | L | 96.3 | Very high | 93.5 | Very high | 59 Ų | 59 | 35.1 Ų | 35.1 | 31% | 0.309 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 125.9 | -177.5 | -54.2 | 178.7 | 0 | 0 | 0 | 108.9 | L20 G21 V23 H41 E115 | L20-L43 CarbonylContact C-O 3.55Å; L20-L43 WeakPolarHBondContact CA-O 3.39Å; G21-L43 PolarHBondContact N-O 3.03Å; G21-L43 PolarHBondContact O-N 2.73Å; V23-L43 HydrophobicContact CG2-CD1 3.75Å; V23-L43 HydrophobicContact CG2-CG 4.38Å; H41-L43 HydrophobicContact CB-CD2 4.15Å; L43-E115 HydrophobicContact CD2-CB 4.18Å; L43-E115 HydrophobicContact CD2-CG 3.64Å |
| 44 | L | 95.2 | Very high | 93.5 | Very high | 4 Ų | 4 | 34.8 Ų | 34.8 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 121.4 | 179.8 | 177.4 | 65.9 | 0 | 0 | 0 | 109.6 | V17 L20 L52 L109 H114 F116 L146 | V17-L44 HydrophobicContact CG1-CD1 3.52Å; V17-L44 HydrophobicContact CG2-CD1 4.31Å; L20-L44 HydrophobicContact CD1-CB 4.49Å; L20-L44 HydrophobicContact CD1-CD1 4.09Å; L44-L52 HydrophobicContact CD2-CD1 4.3Å; L44-L109 HydrophobicContact CD2-CD2 3.35Å; L44-L109 HydrophobicContact CG-CD2 4.12Å; L44-H114 HydrophobicContact CB-CB 4.42Å; L44-H114 PolarHBondContact N-O 3.48Å; L44-H114 PolarHBondContact O-N 2.86Å; L44-F116 HydrophobicContact CB-CE2 4.17Å; L44-F116 HydrophobicContact CD2-CE2 4.2Å; L44-L146 HydrophobicContact CD1-CD2 3.83Å; L44-L146 HydrophobicContact CD2-CD1 3.94Å; L44-L146 HydrophobicContact CD2-CD2 4.49Å |
| 45 | E | 95 | Very high | 93.6 | Very high | 52 Ų | 52 | 33 Ų | 33 | 24% | 0.243 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 120 | 173.2 | -165.5 | -174.4 | 160.2 | 0 | 0 | 110.5 | K18 S19 G112 K113 | K18-E45 HydrophobicContact CB-CB 4.24Å; K18-E45 HydrophobicContact CB-CG 4.31Å; K18-E45 WeakPolarHBondContact CB-O 3.17Å; K18-E45 HydrophobicContact CD-CG 3.99Å; K18-E45 WeakPolarHBondContact CD-OE1 3.24Å; K18-E45 PolarHBondContact N-O 2.89Å; K18-E45 IonicContact NZ-OE1 3.74Å; K18-E45 PolarHBondContact NZ-OE1 3.47Å; S19-E45 PolarHBondContact N-O 3.39Å; S19-E45 PolarHBondContact O-N 3.14Å; S19-E45 VanDerWaalsContact OG-CB 3.26Å; S19-E45 WeakPolarHBondContact OG-CB 3.43Å; E45-G112 WeakPolarHBondContact CA-O 3.36Å; E45-K113 HydrophobicContact CG-CG 4.02Å |
| 46 | A | 93.6 | Very high | 93.7 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 3% | 0.025 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 130.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | V50 G112 | A46-V50 HydrophobicContact CB-CG2 3.8Å; A46-G112 PolarHBondContact N-O 2.8Å; A46-G112 PolarHBondContact O-N 2.79Å |
| 47 | S | 90.6 | Very high | 93.9 | Very high | 41 Ų | 41 | 34 Ų | 34 | 29% | 0.287 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -83.7 | -26.1 | 171.9 | 49.7 | 0 | 0 | 0 | 0 | 113 | R16 K18 | R16-S47 WeakPolarHBondContact CB-OG 3.36Å; R16-S47 PolarHBondContact O-N 3.23Å; R16-S47 VanDerWaalsContact O-N 3.07Å; R16-S47 PolarHBondContact O-OG 3.15Å; K18-S47 VanDerWaalsContact CE-CB 3.45Å |
| 48 | E | 91.9 | Very high | 94 | Very high | 94 Ų | 94 | 32.5 Ų | 32.5 | 44% | 0.439 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -139.6 | 165.2 | -174.6 | -69 | 175.2 | 179.4 | 0 | 0 | 108.9 | V50 | E48-V50 VanDerWaalsContact O-CG2 3.27Å; E48-V50 WeakPolarHBondContact O-CG2 3.21Å; E48-V50 PolarHBondContact O-N 3.32Å; E48-V50 VanDerWaalsContact O-N 3.14Å |
| 49 | P | 90.3 | Very high | 94.1 | Very high | 53 Ų | 53 | 32.6 Ų | 32.6 | 34% | 0.344 | 16% | 0.162 | S | C | . | . | trans | -58.5 | 118.9 | 176.4 | -22.2 | 32.9 | 0 | 0 | 0 | 111.3 | G15 L108 L109 P111 | G15-P49 VanDerWaalsContact CA-O 3.27Å; G15-P49 WeakPolarHBondContact CA-O 3.39Å; P49-L108 HydrophobicContact CB-CD1 3.92Å; P49-L108 HydrophobicContact CB-CD2 4.48Å; P49-L108 HydrophobicContact CB-CG 4.27Å; P49-L109 CarbonylContact C-O 3.47Å; P49-L109 VanDerWaalsContact CA-O 3.23Å; P49-L109 WeakPolarHBondContact CA-O 3.48Å; P49-P111 HydrophobicContact CG-CG 4.1Å | ||
| 50 | V | 90.9 | Very high | 94.1 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.012 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 123.2 | -176 | -174.2 | 0 | 0 | 0 | 0 | 110.4 | V17 A46 E48 L52 L109 R148 | V17-V50 HydrophobicContact CG2-CG1 4.02Å; V17-V50 HydrophobicContact CG2-CG2 4.1Å; A46-V50 HydrophobicContact CB-CG2 3.8Å; E48-V50 VanDerWaalsContact O-CG2 3.27Å; E48-V50 WeakPolarHBondContact O-CG2 3.21Å; E48-V50 PolarHBondContact O-N 3.32Å; E48-V50 VanDerWaalsContact O-N 3.14Å; V50-L52 HydrophobicContact CG1-CD2 3.75Å; V50-L52 HydrophobicContact CG1-CG 4.45Å; V50-L109 HydrophobicContact CB-CB 4.5Å; V50-L109 PolarHBondContact N-O 2.81Å; V50-L109 WeakPolarHBondContact O-CB 3.35Å; V50-L109 PolarHBondContact O-N 2.92Å; V50-R148 HydrophobicContact CG1-CG 4.48Å |
| 51 | A | 90.8 | Very high | 94.2 | Very high | 28 Ų | 28 | 33.2 Ų | 33.2 | 23% | 0.231 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 126.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111 | I106 I107 P149 | A51-I106 HydrophobicContact CB-CG2 3.63Å; A51-I107 CarbonylContact C-O 3.54Å; A51-I107 WeakPolarHBondContact CA-O 3.47Å; A51-P149 HydrophobicContact CB-CG 3.93Å; A51-P149 WeakPolarHBondContact O-CD 3.37Å |
| 52 | L | 90.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 136.9 | -179.3 | -59.3 | -177.6 | 0 | 0 | 0 | 110.5 | L44 V50 I106 I107 L109 L146 R148 | L44-L52 HydrophobicContact CD2-CD1 4.3Å; V50-L52 HydrophobicContact CG1-CD2 3.75Å; V50-L52 HydrophobicContact CG1-CG 4.45Å; L52-I106 CarbonylContact O-C 3.49Å; L52-I106 VanDerWaalsContact O-CA 3.29Å; L52-I106 WeakPolarHBondContact O-CA 3.18Å; L52-I107 HydrophobicContact CB-CB 4.47Å; L52-I107 PolarHBondContact N-O 3.05Å; L52-I107 PolarHBondContact O-N 3Å; L52-L109 HydrophobicContact CD1-CB 4.11Å; L52-L109 HydrophobicContact CD1-CD2 4.18Å; L52-L109 HydrophobicContact CG-CB 4.45Å; L52-L146 HydrophobicContact CD1-CD1 4.03Å; L52-L146 HydrophobicContact CD2-CD1 3.45Å; L52-L146 VanDerWaalsContact CD2-CD1 3.45Å; L52-L146 HydrophobicContact CD2-CD2 4.16Å; L52-L146 HydrophobicContact CD2-CG 3.83Å; L52-L146 HydrophobicContact CG-CD1 4.35Å; L52-R148 HydrophobicContact CD2-CG 3.81Å |
| 53 | R | 91.1 | Very high | 94.2 | Very high | 144 Ų | 144 | 33.3 Ų | 33.3 | 54% | 0.543 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -87 | -43.5 | 168.6 | -66.4 | -176.7 | 74.6 | -172.3 | 3.1 | 111.1 | P100 E147 P149 | R53-P100 VanDerWaalsContact O-CD 3.27Å; R53-P100 WeakPolarHBondContact O-CD 3.36Å; R53-E147 HydrophobicContact CB-CB 4.13Å; R53-E147 PolarHBondContact N-O 3.38Å; R53-P149 HydrophobicContact CG-CG 4.11Å |
| 54 | A | 92.9 | Very high | 94.2 | Very high | 3 Ų | 3 | 32.4 Ų | 32.4 | 3% | 0.025 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 153.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | R56 R98 E147 | A54-R56 HydrophobicContact CB-CG 4.14Å; A54-R98 WeakPolarHBondContact CA-O 3.25Å; A54-E147 HydrophobicContact CB-CB 4.43Å; A54-E147 PolarHBondContact O-N 2.84Å |
| 55 | L | 95.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 115.3 | 159.8 | 178.5 | 62.7 | 0 | 0 | 0 | 107.8 | V42 L97 R98 F116 L146 | V42-L55 HydrophobicContact CG1-CD1 4.3Å; V42-L55 HydrophobicContact CG1-CD2 4.25Å; L55-L97 HydrophobicContact CB-CB 4.5Å; L55-L97 HydrophobicContact CD2-CB 4.13Å; L55-L97 HydrophobicContact CD2-CD1 4.25Å; L55-L97 HydrophobicContact CG-CB 4.12Å; L55-L97 HydrophobicContact CG-CD1 4.29Å; L55-L97 PolarHBondContact O-N 3.11Å; L55-R98 HydrophobicContact CB-CB 3.93Å; L55-R98 PolarHBondContact N-O 2.78Å; L55-R98 PolarHBondContact O-N 3.04Å; L55-F116 HydrophobicContact CD2-CB 3.93Å; L55-F116 HydrophobicContact CD2-CD1 4.03Å; L55-F116 HydrophobicContact CD2-CD2 3.27Å; L55-F116 HydrophobicContact CD2-CE1 4.38Å; L55-F116 HydrophobicContact CD2-CE2 3.68Å; L55-F116 HydrophobicContact CD2-CG 3.46Å; L55-F116 VanDerWaalsContact CD2-CG 3.46Å; L55-F116 HydrophobicContact CD2-CZ 4.22Å; L55-L146 HydrophobicContact CD1-CB 4.38Å; L55-L146 HydrophobicContact CD1-CD1 3.9Å |
| 56 | R | 96.1 | Very high | 94.1 | Very high | 97 Ų | 97 | 32 Ų | 32 | 37% | 0.366 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 149.8 | -177.8 | -61.5 | -177.4 | -177.4 | 157.4 | 10.5 | 110.9 | A54 L95 A144 V145 E147 | A54-R56 HydrophobicContact CB-CG 4.14Å; R56-L95 CarbonylContact C-O 3.56Å; R56-L95 WeakPolarHBondContact CA-O 3.43Å; R56-A144 CarbonylContact O-C 3.53Å; R56-A144 WeakPolarHBondContact O-CA 3.22Å; R56-V145 PolarHBondContact N-O 3.41Å; R56-V145 PolarHBondContact O-N 2.81Å; R56-E147 WeakPolarHBondContact CD-OE1 3.32Å; R56-E147 IonicContact CZ-OE1 2.84Å; R56-E147 IonicContact CZ-OE2 3.98Å; R56-E147 IonicContact NE-OE1 3.97Å; R56-E147 PolarHBondContact NE-OE1 3.22Å; R56-E147 IonicContact NE-OE2 3.57Å; R56-E147 IonicContact NH1-OE1 2.58Å; R56-E147 PolarHBondContact NH1-OE1 3.49Å; R56-E147 IonicContact NH1-OE2 3.73Å; R56-E147 IonicContact NH2-OE1 3.61Å; R56-E147 IonicContact NH2-OE2 3.5Å; R56-E147 PolarHBondContact NH2-OE2 3.24Å |
| 57 | L | 97.4 | Very high | 94 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 129.1 | 169.2 | -164.1 | 80.3 | 0 | 0 | 0 | 108.5 | L22 V42 R94 L95 L97 F118 F120 V142 R143 A144 | L22-L57 HydrophobicContact CD1-CD1 3.71Å; V42-L57 HydrophobicContact CG2-CD1 3.96Å; L57-R94 CarbonylContact O-C 3.53Å; L57-R94 WeakPolarHBondContact O-CA 3.21Å; L57-L95 HydrophobicContact CB-CB 4.19Å; L57-L95 HydrophobicContact CD2-CD1 3.97Å; L57-L95 PolarHBondContact N-O 2.78Å; L57-L95 PolarHBondContact O-N 2.92Å; L57-L97 HydrophobicContact CB-CD1 4.21Å; L57-L97 HydrophobicContact CB-CD2 4.33Å; L57-L97 HydrophobicContact CB-CG 4.19Å; L57-L97 HydrophobicContact CD1-CD1 4.47Å; L57-F118 HydrophobicContact CD1-CD1 4.25Å; L57-F118 HydrophobicContact CD1-CE1 4.39Å; L57-F118 HydrophobicContact CD1-CG 4.48Å; L57-F118 HydrophobicContact CD2-CB 3.7Å; L57-F118 HydrophobicContact CD2-CD1 4.04Å; L57-F118 HydrophobicContact CD2-CD2 3.42Å; L57-F118 VanDerWaalsContact CD2-CD2 3.42Å; L57-F118 HydrophobicContact CD2-CE2 4Å; L57-F118 HydrophobicContact CD2-CG 3.45Å; L57-F118 VanDerWaalsContact CD2-CG 3.45Å; L57-F120 HydrophobicContact CD2-CD1 4.2Å; L57-F120 HydrophobicContact CD2-CE1 4.05Å; L57-V142 HydrophobicContact CD1-CG1 3.65Å; L57-V142 HydrophobicContact CD2-CG1 3.91Å; L57-V142 HydrophobicContact CG-CG1 3.73Å; L57-R143 CarbonylContact C-O 3.57Å; L57-R143 WeakPolarHBondContact CA-O 3.46Å; L57-A144 HydrophobicContact CD1-CB 4.08Å |
| 58 | E | 97.3 | Very high | 93.7 | Very high | 22 Ų | 22 | 33.9 Ų | 33.9 | 10% | 0.103 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 116.8 | 177.1 | -61.1 | -179 | -173.9 | 0 | 0 | 108.8 | Q60 V93 R94 V142 R143 | E58-Q60 PolarHBondContact OE2-NE2 3Å; E58-V93 CarbonylContact C-O 3.54Å; E58-V93 WeakPolarHBondContact CA-O 3.13Å; E58-R94 HydrophobicContact CG-CG 4.32Å; E58-V142 CarbonylContact O-C 3.52Å; E58-V142 WeakPolarHBondContact O-CA 3.45Å; E58-R143 PolarHBondContact N-O 2.77Å; E58-R143 PolarHBondContact O-N 3.31Å; E58-R143 IonicContact OE1-NH1 2.81Å; E58-R143 IonicContact OE2-CZ 3.51Å; E58-R143 IonicContact OE2-NH1 3.05Å; E58-R143 PolarHBondContact OE2-NH1 3.38Å |
| 59 | A | 96.8 | Very high | 92.8 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 2% | 0.017 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 124 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | L91 N92 V93 F120 C141 V142 | A59-L91 HydrophobicContact CB-CD2 4.06Å; A59-N92 WeakPolarHBondContact O-CA 3.36Å; A59-V93 HydrophobicContact CB-CB 4.2Å; A59-V93 PolarHBondContact N-O 3.25Å; A59-V93 PolarHBondContact O-N 3.33Å; A59-F120 HydrophobicContact CB-CE1 4.16Å; A59-F120 HydrophobicContact CB-CE2 3.73Å; A59-F120 HydrophobicContact CB-CZ 3.49Å; A59-F120 VanDerWaalsContact CB-CZ 3.49Å; A59-C141 CarbonylContact C-O 3.52Å; A59-C141 VanDerWaalsContact CA-O 3.32Å; A59-C141 WeakPolarHBondContact CA-O 3.23Å; A59-V142 HydrophobicContact CB-CG2 4.13Å |
| 60 | Q | 96.6 | Very high | 91.3 | Very high | 31 Ų | 31 | 34.9 Ų | 34.9 | 15% | 0.145 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 136.7 | -174.3 | -63.8 | 176 | -1.1 | 0 | 0 | 109.4 | E58 L91 Y140 C141 | E58-Q60 PolarHBondContact OE2-NE2 3Å; Q60-L91 CarbonylContact C-O 3.57Å; Q60-L91 VanDerWaalsContact CA-O 3.31Å; Q60-L91 WeakPolarHBondContact CA-O 3.29Å; Q60-Y140 CarbonylContact O-C 3.58Å; Q60-Y140 WeakPolarHBondContact O-CA 3.4Å; Q60-C141 PolarHBondContact N-O 2.77Å; Q60-C141 PolarHBondContact O-N 2.81Å |
| 61 | G | 96.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 118.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y90 L91 Q139 | G61-Y90 PolarHBondContact O-N 3.41Å; G61-L91 PolarHBondContact N-O 2.89Å; G61-L91 PolarHBondContact O-N 2.95Å; G61-Q139 WeakPolarHBondContact CA-O 3.47Å |
| 62 | R | 96.3 | Very high | 87.8 | Confident | 62 Ų | 62 | 38.6 Ų | 38.6 | 23% | 0.234 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 142 | -173.8 | -44.9 | -171.8 | -156.6 | -100 | -5.2 | 111.1 | E87 V88 E89 I138 Q139 | R62-E87 HydrophobicContact CB-CG 4.46Å; R62-E87 WeakPolarHBondContact CD-OE1 3.27Å; R62-E87 IonicContact CZ-OE1 3.85Å; R62-E87 IonicContact NE-OE1 3.31Å; R62-E87 IonicContact NH1-OE1 3.6Å; R62-V88 CarbonylContact C-O 3.54Å; R62-V88 VanDerWaalsContact CA-O 3.28Å; R62-V88 WeakPolarHBondContact CA-O 3.33Å; R62-E89 IonicContact CZ-OE1 3.98Å; R62-E89 IonicContact NH1-OE1 2.77Å; R62-E89 PolarHBondContact NH1-OE1 2.86Å; R62-E89 IonicContact NH2-OE1 3.01Å; R62-I138 WeakPolarHBondContact O-CA 3.39Å; R62-Q139 PolarHBondContact N-O 2.84Å; R62-Q139 PolarHBondContact O-N 2.76Å |
| 63 | A | 96.8 | Very high | 86.2 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 133.7 | 161 | 0 | 0 | 0 | 0 | 0 | 108.5 | E87 V88 Y90 S137 I138 I286 | A63-E87 CarbonylContact O-C 3.57Å; A63-E87 VanDerWaalsContact O-CA 3.27Å; A63-E87 WeakPolarHBondContact O-CA 3.34Å; A63-V88 PolarHBondContact N-O 2.81Å; A63-V88 PolarHBondContact O-N 2.77Å; A63-Y90 HydrophobicContact CB-CD2 4.34Å; A63-Y90 HydrophobicContact CB-CE2 3.73Å; A63-S137 CarbonylContact C-O 3.56Å; A63-S137 WeakPolarHBondContact CA-O 3.36Å; A63-I138 HydrophobicContact CB-CG1 3.92Å; A63-I286 HydrophobicContact CB-CD1 3.72Å; A63-I286 HydrophobicContact CB-CG1 3.8Å; A63-I286 WeakPolarHBondContact O-CD1 3.21Å |
| 64 | T | 96.3 | Very high | 84.4 | Confident | 39 Ų | 39 | 44.8 Ų | 44.8 | 24% | 0.239 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 133.6 | 175.5 | 55 | 0 | 0 | 0 | 0 | 109.6 | S86 E87 G136 S137 | T64-S86 WeakPolarHBondContact CA-O 3.41Å; T64-E87 HydrophobicContact CG2-CB 4.41Å; T64-E87 HydrophobicContact CG2-CG 4.02Å; T64-G136 CarbonylContact O-C 3.58Å; T64-G136 WeakPolarHBondContact O-CA 3.45Å; T64-S137 PolarHBondContact N-O 2.85Å; T64-S137 PolarHBondContact O-N 2.84Å; T64-S137 PolarHBondContact OG1-O 2.89Å; T64-S137 PolarHBondContact OG1-OG 2.77Å |
| 65 | A | 95.8 | Very high | 82.4 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 121.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | W67 F85 S86 Y135 A240 I286 I287 | A65-W67 HydrophobicContact CB-CZ3 4.17Å; A65-F85 CarbonylContact O-C 3.56Å; A65-F85 WeakPolarHBondContact O-CA 3.17Å; A65-S86 PolarHBondContact N-O 3.5Å; A65-S86 PolarHBondContact O-N 3.06Å; A65-Y135 CarbonylContact C-O 3.54Å; A65-Y135 WeakPolarHBondContact CA-O 3.33Å; A65-A240 HydrophobicContact CB-CB 4.15Å; A65-I286 HydrophobicContact CB-CD1 4.02Å; A65-I287 HydrophobicContact CB-CG1 4.48Å |
| 66 | A | 92.2 | Very high | 80.7 | Confident | 47 Ų | 47 | 49.7 Ų | 49.7 | 39% | 0.388 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 135.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V84 F85 Y135 | A66-V84 VanDerWaalsContact CA-O 3.23Å; A66-V84 WeakPolarHBondContact CA-O 3.05Å; A66-F85 HydrophobicContact CB-CD2 3.84Å; A66-Y135 PolarHBondContact N-O 2.94Å |
| 67 | W | 91.4 | Very high | 78.9 | Confident | 33 Ų | 33 | 49.6 Ų | 49.6 | 13% | 0.125 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 155.6 | 171.1 | 58.8 | 84.1 | 0 | 0 | 0 | 111.8 | A65 V84 Y135 Y238 A240 K243 K245 | A65-W67 HydrophobicContact CB-CZ3 4.17Å; W67-V84 HydrophobicContact CD2-CB 4.32Å; W67-V84 HydrophobicContact CG-CB 4.44Å; W67-V84 HydrophobicContact CZ2-CB 4.41Å; W67-V84 HydrophobicContact CZ2-CG1 3.91Å; W67-V84 PolarHBondContact N-O 2.92Å; W67-V84 PolarHBondContact O-N 2.86Å; W67-Y135 HydrophobicContact CB-CD1 3.77Å; W67-Y135 HydrophobicContact CB-CE1 4.27Å; W67-Y135 HydrophobicContact CB-CG 4.43Å; W67-Y238 WeakPolarHBondContact CH2-O 3.38Å; W67-A240 HydrophobicContact CE3-CB 4.34Å; W67-A240 HydrophobicContact CH2-CB 3.42Å; W67-A240 VanDerWaalsContact CH2-CB 3.42Å; W67-A240 VanDerWaalsContact CH2-N 3.35Å; W67-A240 HydrophobicContact CZ2-CB 4.01Å; W67-A240 HydrophobicContact CZ3-CB 3.57Å; W67-K243 WeakPolarHBondContact CH2-O 3.3Å; W67-K243 HydrophobicContact CZ2-CB 4.06Å; W67-K243 WeakPolarHBondContact CZ2-O 3.3Å; W67-K245 HydrophobicContact CD2-CB 4.5Å; W67-K245 HydrophobicContact CD2-CG 3.81Å; W67-K245 VanDerWaalsContact CE2-CG 3.47Å; W67-K245 HydrophobicContact CE3-CG 4.37Å; W67-K245 HydrophobicContact CG-CG 4.2Å; W67-K245 HydrophobicContact CH2-CB 4.29Å; W67-K245 HydrophobicContact CH2-CG 4.22Å; W67-K245 HydrophobicContact CZ2-CB 4.26Å; W67-K245 HydrophobicContact CZ2-CG 3.7Å; W67-K245 HydrophobicContact CZ3-CB 4.5Å |
| 68 | G | 84.6 | Confident | 77 | Confident | 51 Ų | 51 | 53.7 Ų | 53.7 | 53% | 0.526 | 38% | 0.376 | S | S | . | . | S | Bend | trans | 138.6 | -171.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | S70 | G68-S70 PolarHBondContact O-N 2.85Š|
| 69 | P | 74.1 | Confident | 74.8 | Confident | 61 Ų | 61 | 53.7 Ų | 53.7 | 40% | 0.396 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -59.2 | 127.8 | 171.8 | -12.4 | 26.5 | 0 | 0 | 0 | 108.5 | A71 L82 | P69-A71 PolarHBondContact O-N 2.89Å; P69-L82 HydrophobicContact CG-CB 4.13Å |
| 70 | S | 57 | Low | 72.8 | Confident | 107 Ų | 107 | 56.8 Ų | 56.8 | 75% | 0.748 | 40% | 0.401 | S | S | * | . | trans | -59.6 | 127.8 | 173.7 | 59 | 0 | 0 | 0 | 0 | 108.5 | G68 G72 | G68-S70 PolarHBondContact O-N 2.85Å; S70-G72 PolarHBondContact O-N 3.18Å | ||
| 71 | A | 54.8 | Low | 71 | Confident | 78 Ų | 78 | 59.3 Ų | 59.3 | 65% | 0.645 | 43% | 0.428 | S | S | * | . | trans | -68.2 | 78.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | P69 | P69-A71 PolarHBondContact O-N 2.89Š| ||
| 72 | G | 55.1 | Low | 69.6 | Low | 30 Ų | 30 | 64.5 Ų | 64.5 | 31% | 0.309 | 46% | 0.455 | S | S | . | . | trans | -71.4 | 161.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | S70 C74 A75 | S70-G72 PolarHBondContact O-N 3.18Å; G72-C74 PolarHBondContact O-N 2.92Å; G72-A75 WeakPolarHBondContact O-CB 3.47Å; G72-A75 PolarHBondContact O-N 3.04Å | ||
| 73 | P | 55.8 | Low | 68.7 | Low | 146 Ų | 146 | 63.8 Ų | 63.8 | 95% | 0.948 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -13.5 | -179.2 | 19.6 | -29.8 | 0 | 0 | 0 | 114.3 | ||
| 74 | C | 53.4 | Low | 68.2 | Low | 129 Ų | 129 | 64.2 Ų | 64.2 | 87% | 0.872 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108 | 12.3 | 176.5 | -53.9 | 0 | 0 | 0 | 0 | 114 | G72 S76 | G72-C74 PolarHBondContact O-N 2.92Å; C74-S76 PolarHBondContact O-N 3Å |
| 75 | A | 52.1 | Low | 68 | Low | 44 Ų | 44 | 67.6 Ų | 67.6 | 36% | 0.364 | 48% | 0.476 | S | S | . | . | trans | -71.9 | 125 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | G72 A79 | G72-A75 WeakPolarHBondContact O-CB 3.47Å; G72-A75 PolarHBondContact O-N 3.04Å; A75-A79 HydrophobicContact CB-CB 4.43Å | ||
| 76 | S | 58.4 | Low | 67.9 | Low | 64 Ų | 64 | 68.9 Ų | 68.9 | 45% | 0.448 | 49% | 0.485 | S | S | . | . | trans | -59.3 | 149.9 | 173 | 59.5 | 0 | 0 | 0 | 0 | 110.6 | C74 S78 A79 S80 | C74-S76 PolarHBondContact O-N 3Å; S76-S78 PolarHBondContact O-N 3.1Å; S76-S78 PolarHBondContact OG-OG 3.13Å; S76-A79 WeakPolarHBondContact O-CB 3.46Å; S76-A79 PolarHBondContact O-N 3.29Å; S76-A79 PolarHBondContact OG-N 3.3Å; S76-S80 PolarHBondContact O-N 2.9Å | ||
| 77 | A | 57.7 | Low | 68 | Low | 95 Ų | 95 | 71 Ų | 71 | 79% | 0.785 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -52.7 | -27.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 78 | S | 57.4 | Low | 68.2 | Low | 87 Ų | 87 | 71.3 Ų | 71.3 | 61% | 0.608 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -71.4 | -28.9 | 174.1 | 59.5 | 0 | 0 | 0 | 0 | 114.8 | S76 | S76-S78 PolarHBondContact O-N 3.1Å; S76-S78 PolarHBondContact OG-OG 3.13Å |
| 79 | A | 52.6 | Low | 68.7 | Low | 22 Ų | 22 | 72.8 Ų | 72.8 | 18% | 0.182 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -79.4 | -33.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A75 S76 A81 L82 | A75-A79 HydrophobicContact CB-CB 4.43Å; S76-A79 WeakPolarHBondContact O-CB 3.46Å; S76-A79 PolarHBondContact O-N 3.29Å; S76-A79 PolarHBondContact OG-N 3.3Å; A79-A81 VanDerWaalsContact C-N 3.27Å; A79-A81 PolarHBondContact O-N 3.28Å; A79-L82 PolarHBondContact O-N 3.02Å |
| 80 | S | 54.9 | Low | 69.6 | Low | 67 Ų | 67 | 72 Ų | 72 | 47% | 0.469 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.2 | -30 | 173.9 | -171 | 0 | 0 | 0 | 0 | 112.6 | S76 L82 A83 | S76-S80 PolarHBondContact O-N 2.9Å; S80-L82 PolarHBondContact O-N 3.49Å; S80-A83 WeakPolarHBondContact O-CB 3.46Å; S80-A83 PolarHBondContact O-N 2.99Å |
| 81 | A | 58.8 | Low | 71.5 | Confident | 84 Ų | 84 | 67.1 Ų | 67.1 | 69% | 0.694 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -14.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | A79 | A79-A81 VanDerWaalsContact C-N 3.27Å; A79-A81 PolarHBondContact O-N 3.28Å |
| 82 | L | 66.6 | Low | 73.4 | Confident | 109 Ų | 109 | 66.7 Ų | 66.7 | 57% | 0.571 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -11.3 | 176.5 | -64.7 | 175.3 | 0 | 0 | 0 | 113.1 | P69 A79 S80 V84 | P69-L82 HydrophobicContact CG-CB 4.13Å; A79-L82 PolarHBondContact O-N 3.02Å; S80-L82 PolarHBondContact O-N 3.49Å; L82-V84 PolarHBondContact O-N 2.78Å |
| 83 | A | 77.9 | Confident | 75.3 | Confident | 46 Ų | 46 | 66.8 Ų | 66.8 | 38% | 0.38 | 42% | 0.422 | S | S | . | . | trans | -70.7 | 125.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | S80 | S80-A83 WeakPolarHBondContact O-CB 3.46Å; S80-A83 PolarHBondContact O-N 2.99Å | ||
| 84 | V | 85 | Confident | 77.2 | Confident | 9 Ų | 9 | 67.9 Ų | 67.9 | 6% | 0.055 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 129.9 | 179.1 | -170.3 | 0 | 0 | 0 | 0 | 107.1 | A66 W67 L82 A240 K243 | A66-V84 VanDerWaalsContact CA-O 3.23Å; A66-V84 WeakPolarHBondContact CA-O 3.05Å; W67-V84 HydrophobicContact CD2-CB 4.32Å; W67-V84 HydrophobicContact CG-CB 4.44Å; W67-V84 HydrophobicContact CZ2-CB 4.41Å; W67-V84 HydrophobicContact CZ2-CG1 3.91Å; W67-V84 PolarHBondContact N-O 2.92Å; W67-V84 PolarHBondContact O-N 2.86Å; L82-V84 PolarHBondContact O-N 2.78Å; V84-A240 VanDerWaalsContact CG1-C 3.42Å; V84-A240 HydrophobicContact CG1-CB 3.5Å; V84-A240 VanDerWaalsContact CG1-CB 3.5Å; V84-A240 WeakPolarHBondContact CG1-O 3.07Å; V84-K243 HydrophobicContact CG2-CD 3.83Å |
| 85 | F | 91.6 | Very high | 79.2 | Confident | 110 Ų | 110 | 64.2 Ų | 64.2 | 48% | 0.482 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 138 | -178.2 | 179.8 | -98.4 | 0 | 0 | 0 | 110.3 | A65 A66 E87 S241 | A65-F85 CarbonylContact O-C 3.56Å; A65-F85 WeakPolarHBondContact O-CA 3.17Å; A66-F85 HydrophobicContact CB-CD2 3.84Å; F85-E87 HydrophobicContact CE1-CB 3.81Å; F85-E87 HydrophobicContact CZ-CB 3.83Å; F85-E87 WeakPolarHBondContact CZ-OE2 3.48Å; F85-S241 PolarHBondContact O-OG 3.13Å |
| 86 | S | 94.1 | Very high | 81.2 | Confident | 28 Ų | 28 | 65 Ų | 65 | 20% | 0.196 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 143.5 | 169.1 | -68.4 | 0 | 0 | 0 | 0 | 110 | T64 A65 A240 S241 | T64-S86 WeakPolarHBondContact CA-O 3.41Å; A65-S86 PolarHBondContact N-O 3.5Å; A65-S86 PolarHBondContact O-N 3.06Å; S86-A240 WeakPolarHBondContact OG-CA 3.37Å; S86-S241 PolarHBondContact OG-N 2.88Å |
| 87 | E | 94.9 | Very high | 82.8 | Confident | 90 Ų | 90 | 63.8 Ų | 63.8 | 42% | 0.421 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 138.1 | -177.3 | -178.6 | 178 | 144.6 | 0 | 0 | 109.1 | R62 A63 T64 F85 | R62-E87 HydrophobicContact CB-CG 4.46Å; R62-E87 WeakPolarHBondContact CD-OE1 3.27Å; R62-E87 IonicContact CZ-OE1 3.85Å; R62-E87 IonicContact NE-OE1 3.31Å; R62-E87 IonicContact NH1-OE1 3.6Å; A63-E87 CarbonylContact O-C 3.57Å; A63-E87 VanDerWaalsContact O-CA 3.27Å; A63-E87 WeakPolarHBondContact O-CA 3.34Å; T64-E87 HydrophobicContact CG2-CB 4.41Å; T64-E87 HydrophobicContact CG2-CG 4.02Å; F85-E87 HydrophobicContact CE1-CB 3.81Å; F85-E87 HydrophobicContact CZ-CB 3.83Å; F85-E87 WeakPolarHBondContact CZ-OE2 3.48Å |
| 88 | V | 95.3 | Very high | 84.3 | Confident | 40 Ų | 40 | 65 Ų | 65 | 24% | 0.242 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 127.4 | 174.9 | -179.4 | 0 | 0 | 0 | 0 | 108.1 | R62 A63 Y90 C285 I286 | R62-V88 CarbonylContact C-O 3.54Å; R62-V88 VanDerWaalsContact CA-O 3.28Å; R62-V88 WeakPolarHBondContact CA-O 3.33Å; A63-V88 PolarHBondContact N-O 2.81Å; A63-V88 PolarHBondContact O-N 2.77Å; V88-Y90 HydrophobicContact CB-CE2 4.08Å; V88-Y90 HydrophobicContact CG1-CD2 4.37Å; V88-Y90 HydrophobicContact CG1-CE2 3.78Å; V88-C285 HydrophobicContact CG2-CB 4.45Å; V88-I286 HydrophobicContact CG2-CD1 4.18Å; V88-I286 HydrophobicContact CG2-CG1 4.09Å; V88-I286 HydrophobicContact CG2-CG2 3.72Å |
| 89 | E | 95.1 | Very high | 85.7 | Confident | 83 Ų | 83 | 66.2 Ų | 66.2 | 39% | 0.388 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 128.7 | 178 | -171.9 | 169.4 | -131.5 | 0 | 0 | 110.1 | R62 N92 | R62-E89 IonicContact CZ-OE1 3.98Å; R62-E89 IonicContact NH1-OE1 2.77Å; R62-E89 PolarHBondContact NH1-OE1 2.86Å; R62-E89 IonicContact NH2-OE1 3.01Å; E89-N92 VanDerWaalsContact CD-ND2 3.3Å; E89-N92 HydrophobicContact CG-CB 4.29Å; E89-N92 WeakPolarHBondContact OE1-CB 3.46Å; E89-N92 VanDerWaalsContact OE1-CG 3.25Å; E89-N92 PolarHBondContact OE1-ND2 2.9Å; E89-N92 PolarHBondContact OE2-ND2 2.79Å |
| 90 | Y | 94 | Very high | 87.1 | Confident | 45 Ų | 45 | 66.9 Ų | 66.9 | 18% | 0.176 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | -18.3 | 178.1 | -71.5 | -82.2 | 0 | 0 | 0 | 112.8 | G61 A63 V88 V128 C284 C285 | G61-Y90 PolarHBondContact O-N 3.41Å; A63-Y90 HydrophobicContact CB-CD2 4.34Å; A63-Y90 HydrophobicContact CB-CE2 3.73Å; V88-Y90 HydrophobicContact CB-CE2 4.08Å; V88-Y90 HydrophobicContact CG1-CD2 4.37Å; V88-Y90 HydrophobicContact CG1-CE2 3.78Å; Y90-V128 HydrophobicContact CD1-CG1 4.19Å; Y90-V128 HydrophobicContact CD1-CG2 4.02Å; Y90-V128 HydrophobicContact CD2-CG2 3.61Å; Y90-V128 HydrophobicContact CE1-CG1 3.63Å; Y90-V128 HydrophobicContact CE1-CG2 4.03Å; Y90-V128 HydrophobicContact CE2-CG1 4.41Å; Y90-V128 HydrophobicContact CE2-CG2 3.62Å; Y90-V128 HydrophobicContact CG-CG2 3.81Å; Y90-C284 WeakPolarHBondContact OH-CA 3.49Å; Y90-C284 PolarHBondContact OH-SG 2.81Å; Y90-C285 PolarHBondContact OH-N 3.09Å |
| 91 | L | 95.3 | Very high | 88.1 | Confident | 4 Ų | 4 | 67.4 Ų | 67.4 | 2% | 0.021 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 130.3 | 179 | 175.8 | 74 | 0 | 0 | 0 | 109.3 | A59 Q60 G61 V93 L122 P123 Y140 | A59-L91 HydrophobicContact CB-CD2 4.06Å; Q60-L91 CarbonylContact C-O 3.57Å; Q60-L91 VanDerWaalsContact CA-O 3.31Å; Q60-L91 WeakPolarHBondContact CA-O 3.29Å; G61-L91 PolarHBondContact N-O 2.89Å; G61-L91 PolarHBondContact O-N 2.95Å; L91-V93 HydrophobicContact CD1-CG2 3.7Å; L91-L122 HydrophobicContact CD1-CD2 4.18Å; L91-L122 HydrophobicContact CD2-CD2 3.89Å; L91-P123 VanDerWaalsContact CD1-CD 3.42Å; L91-P123 HydrophobicContact CD1-CG 3.83Å; L91-Y140 HydrophobicContact CB-CD1 4.15Å; L91-Y140 HydrophobicContact CB-CE1 4.08Å; L91-Y140 HydrophobicContact CD2-CD1 4Å |
| 92 | N | 95.4 | Very high | 88.7 | Confident | 68 Ų | 68 | 68.9 Ų | 68.9 | 36% | 0.364 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 94.9 | 170.8 | -162.9 | -18.3 | 0 | 0 | 0 | 109.1 | A59 E89 | A59-N92 WeakPolarHBondContact O-CA 3.36Å; E89-N92 VanDerWaalsContact CD-ND2 3.3Å; E89-N92 HydrophobicContact CG-CB 4.29Å; E89-N92 WeakPolarHBondContact OE1-CB 3.46Å; E89-N92 VanDerWaalsContact OE1-CG 3.25Å; E89-N92 PolarHBondContact OE1-ND2 2.9Å; E89-N92 PolarHBondContact OE2-ND2 2.79Å |
| 93 | V | 95.6 | Very high | 88.8 | Confident | 33 Ų | 33 | 67.8 Ų | 67.8 | 20% | 0.2 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 133.9 | 177.5 | 175.1 | 0 | 0 | 0 | 0 | 108.2 | E58 A59 L91 L95 F120 | E58-V93 CarbonylContact C-O 3.54Å; E58-V93 WeakPolarHBondContact CA-O 3.13Å; A59-V93 HydrophobicContact CB-CB 4.2Å; A59-V93 PolarHBondContact N-O 3.25Å; A59-V93 PolarHBondContact O-N 3.33Å; L91-V93 HydrophobicContact CD1-CG2 3.7Å; V93-L95 HydrophobicContact CG1-CD2 4.2Å; V93-L95 HydrophobicContact CG1-CG 4.21Å; V93-F120 HydrophobicContact CG1-CB 4.12Å; V93-F120 HydrophobicContact CG1-CD2 4.29Å; V93-F120 HydrophobicContact CG1-CG 4.19Å |
| 94 | R | 95.8 | Very high | 88.3 | Confident | 169 Ų | 169 | 71.6 Ų | 71.6 | 64% | 0.638 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 126.7 | 176 | -57.2 | -174.8 | -171.6 | -176.1 | -0 | 108.9 | L57 E58 | L57-R94 CarbonylContact O-C 3.53Å; L57-R94 WeakPolarHBondContact O-CA 3.21Å; E58-R94 HydrophobicContact CG-CG 4.32Å |
| 95 | L | 94.9 | Very high | 87.9 | Confident | 51 Ų | 51 | 73.8 Ų | 73.8 | 27% | 0.267 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 139.7 | 176.9 | -52.7 | 173.1 | 0 | 0 | 0 | 109.1 | R56 L57 V93 L97 F120 | R56-L95 CarbonylContact C-O 3.56Å; R56-L95 WeakPolarHBondContact CA-O 3.43Å; L57-L95 HydrophobicContact CB-CB 4.19Å; L57-L95 HydrophobicContact CD2-CD1 3.97Å; L57-L95 PolarHBondContact N-O 2.78Å; L57-L95 PolarHBondContact O-N 2.92Å; V93-L95 HydrophobicContact CG1-CD2 4.2Å; V93-L95 HydrophobicContact CG1-CG 4.21Å; L95-L97 HydrophobicContact CB-CD2 4.39Å; L95-F120 HydrophobicContact CD1-CB 4.07Å; L95-F120 HydrophobicContact CD1-CD1 4.03Å; L95-F120 HydrophobicContact CD1-CG 4.45Å |
| 96 | S | 93.6 | Very high | 87.6 | Confident | 62 Ų | 62 | 72.2 Ų | 72.2 | 43% | 0.434 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 109.1 | 169 | -69.2 | 0 | 0 | 0 | 0 | 109 | E99 | S96-E99 VanDerWaalsContact CB-CD 3.47Å; S96-E99 WeakPolarHBondContact CB-OE1 3.38Å; S96-E99 PolarHBondContact OG-OE1 2.85Å |
| 97 | L | 92.8 | Very high | 87.3 | Confident | 37 Ų | 37 | 71.6 Ų | 71.6 | 19% | 0.194 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | -30.7 | 179.9 | -56.1 | -175.4 | 0 | 0 | 0 | 111.6 | V42 L55 L57 L95 F116 F118 | V42-L97 HydrophobicContact CB-CD1 4.08Å; V42-L97 HydrophobicContact CG2-CD1 3.51Å; L55-L97 HydrophobicContact CB-CB 4.5Å; L55-L97 HydrophobicContact CD2-CB 4.13Å; L55-L97 HydrophobicContact CD2-CD1 4.25Å; L55-L97 HydrophobicContact CG-CB 4.12Å; L55-L97 HydrophobicContact CG-CD1 4.29Å; L55-L97 PolarHBondContact O-N 3.11Å; L57-L97 HydrophobicContact CB-CD1 4.21Å; L57-L97 HydrophobicContact CB-CD2 4.33Å; L57-L97 HydrophobicContact CB-CG 4.19Å; L57-L97 HydrophobicContact CD1-CD1 4.47Å; L95-L97 HydrophobicContact CB-CD2 4.39Å; L97-F116 HydrophobicContact CB-CB 4.25Å; L97-F116 HydrophobicContact CD1-CB 4.15Å; L97-F118 HydrophobicContact CD1-CB 4.45Å; L97-F118 HydrophobicContact CD2-CB 3.65Å |
| 98 | R | 89.8 | Confident | 87.1 | Confident | 122 Ų | 122 | 72.3 Ų | 72.3 | 46% | 0.46 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 125 | 176 | -167.5 | 72.1 | -175.1 | -172.1 | 0.6 | 110.6 | A54 L55 I107 F116 | A54-R98 WeakPolarHBondContact CA-O 3.25Å; L55-R98 HydrophobicContact CB-CB 3.93Å; L55-R98 PolarHBondContact N-O 2.78Å; L55-R98 PolarHBondContact O-N 3.04Å; R98-I107 HydrophobicContact CG-CD1 3.42Å; R98-I107 VanDerWaalsContact CG-CD1 3.42Å; R98-F116 HydrophobicContact CB-CD1 4.38Å; R98-F116 HydrophobicContact CB-CE1 4.11Å; R98-F116 HydrophobicContact CG-CE1 4.24Å |
| 99 | E | 85.1 | Confident | 86.9 | Confident | 112 Ų | 112 | 71.2 Ų | 71.2 | 52% | 0.523 | 41% | 0.405 | S | S | . | . | trans | -130.5 | 152.7 | 175.8 | -77.4 | -179.5 | 172.4 | 0 | 0 | 110.5 | S96 I107 | S96-E99 VanDerWaalsContact CB-CD 3.47Å; S96-E99 WeakPolarHBondContact CB-OE1 3.38Å; S96-E99 PolarHBondContact OG-OE1 2.85Å; E99-I107 WeakPolarHBondContact O-CD1 3.32Å | ||
| 100 | P | 82.5 | Confident | 86.8 | Confident | 36 Ų | 36 | 72.4 Ų | 72.4 | 23% | 0.234 | 41% | 0.41 | C | S | . | . | trans | -70.8 | 152.7 | -179.3 | 28.9 | -34 | 0 | 0 | 0 | 111.3 | R53 E104 I107 | R53-P100 VanDerWaalsContact O-CD 3.27Å; R53-P100 WeakPolarHBondContact O-CD 3.36Å; P100-E104 WeakPolarHBondContact CB-O 3.31Å; P100-E104 VanDerWaalsContact CG-O 3.32Å; P100-E104 WeakPolarHBondContact CG-O 3.37Å; P100-I107 VanDerWaalsContact CA-CG1 3.48Å; P100-I107 HydrophobicContact CB-CD1 4.37Å; P100-I107 HydrophobicContact CB-CG1 3.72Å | ||
| 101 | P | 76.1 | Confident | 86.8 | Confident | 78 Ų | 78 | 73.2 Ų | 73.2 | 51% | 0.506 | 42% | 0.422 | S | S | . | . | trans | -57.1 | 148.5 | 172.8 | -17.3 | 29.1 | 0 | 0 | 0 | 111 | G103 E104 | P101-G103 PolarHBondContact O-N 2.77Å; P101-E104 PolarHBondContact O-N 2.83Å | ||
| 102 | A | 72.2 | Confident | 86.7 | Confident | 115 Ų | 115 | 74.5 Ų | 74.5 | 95% | 0.95 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 115.9 | 179 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 103 | G | 67.3 | Low | 86.7 | Confident | 86 Ų | 86 | 79.2 Ų | 79.2 | 89% | 0.887 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 109.3 | -17.9 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | P101 | P101-G103 PolarHBondContact O-N 2.77Š|
| 104 | E | 68.8 | Low | 86.6 | Confident | 126 Ų | 126 | 79.8 Ų | 79.8 | 59% | 0.589 | 45% | 0.453 | S | S | * | . | trans | -104.2 | 137.2 | 172.2 | -70.2 | -179.5 | 179.3 | 0 | 0 | 109.8 | P100 P101 | P100-E104 WeakPolarHBondContact CB-O 3.31Å; P100-E104 VanDerWaalsContact CG-O 3.32Å; P100-E104 WeakPolarHBondContact CG-O 3.37Å; P101-E104 PolarHBondContact O-N 2.83Å | ||
| 105 | G | 76.6 | Confident | 86.6 | Confident | 55 Ų | 55 | 78 Ų | 78 | 57% | 0.567 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -90.5 | -3.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 106 | I | 85.3 | Confident | 86.7 | Confident | 76 Ų | 76 | 76.6 Ų | 76.6 | 39% | 0.39 | 44% | 0.444 | S | S | . | . | trans | -150 | 142.4 | -166.5 | -56.7 | 176.5 | 0 | 0 | 0 | 109.4 | A51 L52 P149 | A51-I106 HydrophobicContact CB-CG2 3.63Å; L52-I106 CarbonylContact O-C 3.49Å; L52-I106 VanDerWaalsContact O-CA 3.29Å; L52-I106 WeakPolarHBondContact O-CA 3.18Å; I106-P149 HydrophobicContact CD1-CB 4.22Å; I106-P149 HydrophobicContact CD1-CG 3.73Å; I106-P149 HydrophobicContact CG1-CG 4.07Å; I106-P149 HydrophobicContact CG2-CG 4.17Å | ||
| 107 | I | 87.8 | Confident | 86.8 | Confident | 16 Ų | 16 | 78 Ų | 78 | 8% | 0.082 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 134.4 | 170.5 | -53.3 | 171.2 | 0 | 0 | 0 | 108.5 | A51 L52 R98 E99 P100 | A51-I107 CarbonylContact C-O 3.54Å; A51-I107 WeakPolarHBondContact CA-O 3.47Å; L52-I107 HydrophobicContact CB-CB 4.47Å; L52-I107 PolarHBondContact N-O 3.05Å; L52-I107 PolarHBondContact O-N 3Å; R98-I107 HydrophobicContact CG-CD1 3.42Å; R98-I107 VanDerWaalsContact CG-CD1 3.42Å; E99-I107 WeakPolarHBondContact O-CD1 3.32Å; P100-I107 VanDerWaalsContact CA-CG1 3.48Å; P100-I107 HydrophobicContact CB-CD1 4.37Å; P100-I107 HydrophobicContact CB-CG1 3.72Å |
| 108 | L | 89.9 | Confident | 87 | Confident | 105 Ų | 105 | 76.7 Ų | 76.7 | 55% | 0.55 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 108.9 | 171.6 | -169.7 | 68.3 | 0 | 0 | 0 | 110.5 | P49 | P49-L108 HydrophobicContact CB-CD1 3.92Å; P49-L108 HydrophobicContact CB-CD2 4.48Å; P49-L108 HydrophobicContact CB-CG 4.27Å |
| 109 | L | 90.7 | Very high | 87.3 | Confident | 16 Ų | 16 | 79.7 Ų | 79.7 | 8% | 0.084 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 127.4 | 175.3 | -162.9 | 78.6 | 0 | 0 | 0 | 110 | L44 P49 V50 L52 H114 F116 | L44-L109 HydrophobicContact CD2-CD2 3.35Å; L44-L109 HydrophobicContact CG-CD2 4.12Å; P49-L109 CarbonylContact C-O 3.47Å; P49-L109 VanDerWaalsContact CA-O 3.23Å; P49-L109 WeakPolarHBondContact CA-O 3.48Å; V50-L109 HydrophobicContact CB-CB 4.5Å; V50-L109 PolarHBondContact N-O 2.81Å; V50-L109 WeakPolarHBondContact O-CB 3.35Å; V50-L109 PolarHBondContact O-N 2.92Å; L52-L109 HydrophobicContact CD1-CB 4.11Å; L52-L109 HydrophobicContact CD1-CD2 4.18Å; L52-L109 HydrophobicContact CG-CB 4.45Å; L109-H114 HydrophobicContact CD2-CB 4.39Å; L109-H114 WeakPolarHBondContact CD2-CD2 3.23Å; L109-F116 HydrophobicContact CD1-CZ 4.19Å |
| 110 | Q | 92.9 | Very high | 87.8 | Confident | 108 Ų | 108 | 75.1 Ų | 75.1 | 51% | 0.505 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 157.2 | 178.7 | -65.3 | -57 | -47.7 | 0 | 0 | 112.1 | H114 | Q110-H114 PolarHBondContact O-CE1 2.97Å; Q110-H114 PolarHBondContact O-NE2 2.82Å |
| 111 | P | 93.7 | Very high | 88.4 | Confident | 63 Ų | 63 | 79 Ų | 79 | 41% | 0.409 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -56.2 | 141.2 | 171.7 | -20.6 | 31 | 0 | 0 | 0 | 111.3 | P49 | P49-P111 HydrophobicContact CG-CG 4.1Š|
| 112 | G | 93.6 | Very high | 89.3 | Confident | 30 Ų | 30 | 75.3 Ų | 75.3 | 31% | 0.309 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 136.5 | -171.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | E45 A46 H114 | E45-G112 WeakPolarHBondContact CA-O 3.36Å; A46-G112 PolarHBondContact N-O 2.8Å; A46-G112 PolarHBondContact O-N 2.79Å; G112-H114 PolarHBondContact O-CD2 2.57Å |
| 113 | K | 95.4 | Very high | 90.3 | Very high | 167 Ų | 167 | 71.9 Ų | 71.9 | 73% | 0.726 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 130.5 | 175.2 | -66.7 | -179.3 | 179 | -177.3 | 0 | 109.3 | E45 | E45-K113 HydrophobicContact CG-CG 4.02Å |
| 114 | H | 94.8 | Very high | 91.3 | Very high | 45 Ų | 45 | 72.8 Ų | 72.8 | 21% | 0.208 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 136.2 | -179.4 | -57.8 | -88.3 | 0 | 0 | 0 | 109.2 | L44 L109 Q110 G112 F116 | L44-H114 HydrophobicContact CB-CB 4.42Å; L44-H114 PolarHBondContact N-O 3.48Å; L44-H114 PolarHBondContact O-N 2.86Å; L109-H114 HydrophobicContact CD2-CB 4.39Å; L109-H114 WeakPolarHBondContact CD2-CD2 3.23Å; Q110-H114 PolarHBondContact O-CE1 2.97Å; Q110-H114 PolarHBondContact O-NE2 2.82Å; G112-H114 PolarHBondContact O-CD2 2.57Å; H114-F116 HydrophobicContact CB-CE2 3.68Å; H114-F116 HydrophobicContact CB-CZ 3.94Å |
| 115 | E | 96 | Very high | 92.2 | Very high | 131 Ų | 131 | 74.1 Ų | 74.1 | 61% | 0.612 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 126.9 | -178.8 | -54.4 | -169.2 | 167.7 | 0 | 0 | 109 | L43 | L43-E115 HydrophobicContact CD2-CB 4.18Å; L43-E115 HydrophobicContact CD2-CG 3.64Å |
| 116 | F | 96.1 | Very high | 92.7 | Very high | 22 Ų | 22 | 75.8 Ų | 75.8 | 10% | 0.096 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 103.3 | -179.9 | -57.4 | -85.9 | 0 | 0 | 0 | 108.6 | V42 L44 L55 L97 R98 L109 H114 | V42-F116 HydrophobicContact CB-CB 4.34Å; V42-F116 PolarHBondContact N-O 2.79Å; V42-F116 PolarHBondContact O-N 3.48Å; L44-F116 HydrophobicContact CB-CE2 4.17Å; L44-F116 HydrophobicContact CD2-CE2 4.2Å; L55-F116 HydrophobicContact CD2-CB 3.93Å; L55-F116 HydrophobicContact CD2-CD1 4.03Å; L55-F116 HydrophobicContact CD2-CD2 3.27Å; L55-F116 HydrophobicContact CD2-CE1 4.38Å; L55-F116 HydrophobicContact CD2-CE2 3.68Å; L55-F116 HydrophobicContact CD2-CG 3.46Å; L55-F116 VanDerWaalsContact CD2-CG 3.46Å; L55-F116 HydrophobicContact CD2-CZ 4.22Å; L97-F116 HydrophobicContact CB-CB 4.25Å; L97-F116 HydrophobicContact CD1-CB 4.15Å; R98-F116 HydrophobicContact CB-CD1 4.38Å; R98-F116 HydrophobicContact CB-CE1 4.11Å; R98-F116 HydrophobicContact CG-CE1 4.24Å; L109-F116 HydrophobicContact CD1-CZ 4.19Å; H114-F116 HydrophobicContact CB-CE2 3.68Å; H114-F116 HydrophobicContact CB-CZ 3.94Å |
| 117 | P | 96.6 | Very high | 93.1 | Very high | 92 Ų | 92 | 72.3 Ų | 72.3 | 60% | 0.597 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 145.3 | 178.2 | 28.9 | -34 | 0 | 0 | 0 | 110.2 | G40 | G40-P117 WeakPolarHBondContact O-CA 3.33Å |
| 118 | F | 96.1 | Very high | 93.4 | Very high | 10 Ų | 10 | 71.7 Ų | 71.7 | 4% | 0.044 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 150.4 | 172.7 | 68.1 | -98.1 | 0 | 0 | 0 | 110.8 | L22 F24 V38 A39 G40 H41 V42 L57 L97 F120 | L22-F118 HydrophobicContact CD2-CZ 4.35Å; L22-F118 HydrophobicContact CG-CE1 4.24Å; L22-F118 HydrophobicContact CG-CZ 4.46Å; F24-F118 HydrophobicContact CD1-CE2 4.4Å; F24-F118 AromaticContact CD1-CZ 3.99Å; F24-F118 HydrophobicContact CD1-CZ 3.99Å; F24-F118 HydrophobicContact CE1-CE2 4.44Å; F24-F118 HydrophobicContact CE1-CZ 4.11Å; V38-F118 HydrophobicContact CG1-CE2 4.4Å; A39-F118 WeakPolarHBondContact CA-O 3.29Å; G40-F118 VanDerWaalsContact C-CD1 3.47Å; G40-F118 PolarHBondContact N-O 2.87Å; G40-F118 WeakPolarHBondContact O-CD1 3.38Å; G40-F118 PolarHBondContact O-N 2.89Å; H41-F118 VanDerWaalsContact N-CE1 3.32Å; V42-F118 HydrophobicContact CG2-CD1 4.01Å; V42-F118 HydrophobicContact CG2-CE1 4.22Å; L57-F118 HydrophobicContact CD1-CD1 4.25Å; L57-F118 HydrophobicContact CD1-CE1 4.39Å; L57-F118 HydrophobicContact CD1-CG 4.48Å; L57-F118 HydrophobicContact CD2-CB 3.7Å; L57-F118 HydrophobicContact CD2-CD1 4.04Å; L57-F118 HydrophobicContact CD2-CD2 3.42Å; L57-F118 VanDerWaalsContact CD2-CD2 3.42Å; L57-F118 HydrophobicContact CD2-CE2 4Å; L57-F118 HydrophobicContact CD2-CG 3.45Å; L57-F118 VanDerWaalsContact CD2-CG 3.45Å; L97-F118 HydrophobicContact CD1-CB 4.45Å; L97-F118 HydrophobicContact CD2-CB 3.65Å; F118-F120 HydrophobicContact CD2-CD1 4.2Å; F118-F120 HydrophobicContact CD2-CE1 4.12Å; F118-F120 HydrophobicContact CE2-CE1 4.11Å |
| 119 | R | 95.9 | Very high | 93.7 | Very high | 185 Ų | 185 | 67 Ų | 67 | 70% | 0.698 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 130.8 | 174 | -167.6 | 175.2 | 104.6 | 141.7 | 5.2 | 109.6 | T37 V38 A39 | T37-R119 HydrophobicContact CG2-CG 3.34Å; V38-R119 WeakPolarHBondContact O-CA 3.26Å; A39-R119 HydrophobicContact CB-CB 4.5Å; A39-R119 HydrophobicContact CB-CG 4.13Å |
| 120 | F | 95.3 | Very high | 94 | Very high | 15 Ų | 15 | 67 Ų | 67 | 7% | 0.066 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 156 | 170.1 | 61.8 | -85.1 | 0 | 0 | 0 | 110.7 | T37 V38 L57 A59 V93 L95 F118 L122 V142 | T37-F120 WeakPolarHBondContact CA-O 3.31Å; V38-F120 HydrophobicContact CB-CD1 4.46Å; V38-F120 HydrophobicContact CB-CD2 4.42Å; V38-F120 HydrophobicContact CB-CE1 3.94Å; V38-F120 HydrophobicContact CB-CE2 3.89Å; V38-F120 HydrophobicContact CB-CZ 3.62Å; V38-F120 HydrophobicContact CG1-CE1 3.98Å; V38-F120 HydrophobicContact CG1-CZ 3.78Å; V38-F120 HydrophobicContact CG2-CE2 4.01Å; V38-F120 HydrophobicContact CG2-CZ 4.06Å; V38-F120 PolarHBondContact N-O 3.14Å; V38-F120 PolarHBondContact O-N 3.1Å; L57-F120 HydrophobicContact CD2-CD1 4.2Å; L57-F120 HydrophobicContact CD2-CE1 4.05Å; A59-F120 HydrophobicContact CB-CE1 4.16Å; A59-F120 HydrophobicContact CB-CE2 3.73Å; A59-F120 HydrophobicContact CB-CZ 3.49Å; A59-F120 VanDerWaalsContact CB-CZ 3.49Å; V93-F120 HydrophobicContact CG1-CB 4.12Å; V93-F120 HydrophobicContact CG1-CD2 4.29Å; V93-F120 HydrophobicContact CG1-CG 4.19Å; L95-F120 HydrophobicContact CD1-CB 4.07Å; L95-F120 HydrophobicContact CD1-CD1 4.03Å; L95-F120 HydrophobicContact CD1-CG 4.45Å; F118-F120 HydrophobicContact CD2-CD1 4.2Å; F118-F120 HydrophobicContact CD2-CE1 4.12Å; F118-F120 HydrophobicContact CE2-CE1 4.11Å; F120-L122 HydrophobicContact CE2-CD2 4.15Å; F120-V142 HydrophobicContact CE1-CG1 4.43Å; F120-V142 HydrophobicContact CE1-CG2 4.38Å; F120-V142 HydrophobicContact CZ-CG2 3.92Å |
| 121 | Q | 95.2 | Very high | 94.1 | Very high | 117 Ų | 117 | 62.3 Ų | 62.3 | 55% | 0.547 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 136.5 | 176.4 | -162.1 | 177.2 | 1.3 | 0 | 0 | 109.8 | G35 | G35-Q121 VanDerWaalsContact O-CG 3.3Å; G35-Q121 WeakPolarHBondContact O-CG 3.33Å; G35-Q121 PolarHBondContact O-NE2 3.35Å |
| 122 | L | 95 | Very high | 94.2 | Very high | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 147.7 | 168.4 | -68.7 | 176.3 | 0 | 0 | 0 | 109.6 | S33 G35 E36 V38 L91 F120 S124 L127 L160 | S33-L122 WeakPolarHBondContact O-CD1 3.46Å; G35-L122 WeakPolarHBondContact CA-O 3.33Å; G35-L122 PolarHBondContact N-O 3.07Å; E36-L122 WeakPolarHBondContact O-CB 3.38Å; E36-L122 PolarHBondContact O-N 2.95Å; V38-L122 HydrophobicContact CG2-CD1 4.18Å; V38-L122 HydrophobicContact CG2-CD2 4.23Å; V38-L122 HydrophobicContact CG2-CG 3.98Å; L91-L122 HydrophobicContact CD1-CD2 4.18Å; L91-L122 HydrophobicContact CD2-CD2 3.89Å; F120-L122 HydrophobicContact CE2-CD2 4.15Å; L122-S124 PolarHBondContact O-N 3.36Å; L122-L127 HydrophobicContact CB-CD1 4.06Å; L122-L127 HydrophobicContact CD1-CD1 4.09Å; L122-L127 HydrophobicContact CD2-CD1 4.19Å; L122-L127 HydrophobicContact CG-CD1 4.34Å; L122-L160 HydrophobicContact CD1-CD2 4.39Å; L122-L160 HydrophobicContact CD2-CD2 4.08Å |
| 123 | P | 92.9 | Very high | 94.3 | Very high | 43 Ų | 43 | 64 Ų | 64 | 28% | 0.279 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -50.1 | 141.8 | 176.2 | -27.6 | 33.8 | 0 | 0 | 0 | 111.9 | G35 L91 E125 L127 | G35-P123 PolarHBondContact N-O 3Å; L91-P123 VanDerWaalsContact CD1-CD 3.42Å; L91-P123 HydrophobicContact CD1-CG 3.83Å; P123-E125 PolarHBondContact O-N 2.95Å; P123-L127 HydrophobicContact CB-CD2 4.46Å; P123-L127 HydrophobicContact CG-CD2 4.27Å |
| 124 | S | 88.9 | Confident | 94.2 | Very high | 104 Ų | 104 | 63.3 Ų | 63.3 | 73% | 0.727 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -71.8 | -19.9 | 173.3 | -53.5 | 0 | 0 | 0 | 0 | 112.2 | L122 | L122-S124 PolarHBondContact O-N 3.36Š|
| 125 | E | 88.4 | Confident | 94.2 | Very high | 154 Ų | 154 | 64.1 Ų | 64.1 | 72% | 0.72 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -62.8 | 147.1 | 171.1 | -67.8 | -178.9 | -169.5 | 0 | 0 | 110.8 | S34 P123 L127 | S34-E125 WeakPolarHBondContact CB-O 3.44Å; S34-E125 PolarHBondContact OG-O 2.85Å; P123-E125 PolarHBondContact O-N 2.95Å; E125-L127 PolarHBondContact O-N 3.43Å |
| 126 | P | 85.9 | Confident | 94.1 | Very high | 90 Ų | 90 | 58.5 Ų | 58.5 | 58% | 0.584 | 31% | 0.31 | S | S | * | . | trans | -63.1 | 107.1 | -177.9 | 24.8 | -32.6 | 0 | 0 | 0 | 111 | ||||
| 127 | L | 93.3 | Very high | 94.1 | Very high | 4 Ų | 4 | 58.2 Ų | 58.2 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 156.2 | 166.8 | -62.4 | -178.9 | 0 | 0 | 0 | 110.2 | S34 L122 P123 E125 Y140 V162 S164 | S34-L127 PolarHBondContact OG-N 2.81Å; L122-L127 HydrophobicContact CB-CD1 4.06Å; L122-L127 HydrophobicContact CD1-CD1 4.09Å; L122-L127 HydrophobicContact CD2-CD1 4.19Å; L122-L127 HydrophobicContact CG-CD1 4.34Å; P123-L127 HydrophobicContact CB-CD2 4.46Å; P123-L127 HydrophobicContact CG-CD2 4.27Å; E125-L127 PolarHBondContact O-N 3.43Å; L127-Y140 HydrophobicContact CD1-CE1 4.32Å; L127-Y140 HydrophobicContact CD2-CE1 4.17Å; L127-V162 HydrophobicContact CB-CG1 3.79Å; L127-V162 HydrophobicContact CD1-CG1 3.91Å; L127-S164 WeakPolarHBondContact O-CB 3.28Å; L127-S164 PolarHBondContact O-OG 2.78Å |
| 128 | V | 95 | Very high | 94.1 | Very high | 3 Ų | 3 | 53.9 Ų | 53.9 | 2% | 0.018 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -93.9 | 144.4 | 179.4 | -68 | 0 | 0 | 0 | 0 | 110.3 | Y90 S130 I138 Y140 C284 | Y90-V128 HydrophobicContact CD1-CG1 4.19Å; Y90-V128 HydrophobicContact CD1-CG2 4.02Å; Y90-V128 HydrophobicContact CD2-CG2 3.61Å; Y90-V128 HydrophobicContact CE1-CG1 3.63Å; Y90-V128 HydrophobicContact CE1-CG2 4.03Å; Y90-V128 HydrophobicContact CE2-CG1 4.41Å; Y90-V128 HydrophobicContact CE2-CG2 3.62Å; Y90-V128 HydrophobicContact CG-CG2 3.81Å; V128-S130 PolarHBondContact O-N 3.31Å; V128-I138 HydrophobicContact CB-CD1 4.36Å; V128-I138 HydrophobicContact CB-CG2 4.42Å; V128-I138 HydrophobicContact CG2-CD1 4.22Å; V128-I138 HydrophobicContact CG2-CG2 3.49Å; V128-I138 VanDerWaalsContact CG2-CG2 3.49Å; V128-Y140 WeakPolarHBondContact CG2-OH 3.48Å; V128-Y140 PolarHBondContact N-OH 3.45Å; V128-Y140 WeakPolarHBondContact O-CE2 3.23Å; V128-Y140 PolarHBondContact O-OH 3.26Å; V128-C284 HydrophobicContact CB-CB 4.3Å; V128-C284 HydrophobicContact CG1-CB 3.75Å |
| 129 | T | 95.8 | Very high | 94.2 | Very high | 5 Ų | 5 | 57.2 Ų | 57.2 | 3% | 0.031 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 134 | 179.7 | -58.1 | 0 | 0 | 0 | 0 | 110.9 | F131 V162 S164 T278 | T129-F131 PolarHBondContact O-N 3.34Å; T129-V162 CarbonylContact C-O 3.5Å; T129-V162 WeakPolarHBondContact CA-O 3.02Å; T129-S164 VanDerWaalsContact OG1-CB 3.26Å; T129-S164 WeakPolarHBondContact OG1-CB 3.32Å; T129-S164 PolarHBondContact OG1-N 3.47Å; T129-T278 HydrophobicContact CG2-CG2 4.22Å |
| 130 | S | 96.2 | Very high | 94.2 | Very high | 17 Ų | 17 | 48.5 Ų | 48.5 | 12% | 0.119 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 132.3 | 174.8 | -62.1 | 0 | 0 | 0 | 0 | 110.2 | V128 I138 Y140 V162 | V128-S130 PolarHBondContact O-N 3.31Å; S130-I138 WeakPolarHBondContact CA-O 3.21Å; S130-Y140 WeakPolarHBondContact OG-CD2 3.35Å; S130-V162 PolarHBondContact N-O 3.35Å; S130-V162 PolarHBondContact OG-N 3.29Å; S130-V162 PolarHBondContact OG-O 3.23Å |
| 131 | F | 96.5 | Very high | 94.2 | Very high | 10 Ų | 10 | 48.4 Ų | 48.4 | 4% | 0.044 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 142.2 | -170.8 | 175.4 | -106.4 | 0 | 0 | 0 | 110.9 | T129 S137 I138 Q236 Y238 T278 I281 I287 V289 | T129-F131 PolarHBondContact O-N 3.34Å; F131-S137 CarbonylContact O-C 3.58Å; F131-S137 WeakPolarHBondContact O-CA 3.36Å; F131-S137 WeakPolarHBondContact O-CB 3.31Å; F131-I138 HydrophobicContact CB-CB 4.3Å; F131-I138 HydrophobicContact CB-CD1 4.27Å; F131-I138 HydrophobicContact CB-CG1 4.35Å; F131-I138 PolarHBondContact N-O 2.86Å; F131-I138 PolarHBondContact O-N 2.81Å; F131-Q236 HydrophobicContact CZ-CG 4.07Å; F131-Y238 HydrophobicContact CE1-CE1 4.26Å; F131-T278 HydrophobicContact CD2-CG2 4.11Å; F131-I281 HydrophobicContact CB-CD1 3.46Å; F131-I281 VanDerWaalsContact CB-CD1 3.46Å; F131-I281 HydrophobicContact CD1-CD1 4.35Å; F131-I281 HydrophobicContact CD2-CD1 4.06Å; F131-I281 HydrophobicContact CG-CD1 3.7Å; F131-I287 HydrophobicContact CD1-CG2 3.82Å; F131-I287 HydrophobicContact CE1-CG2 3.94Å; F131-V289 HydrophobicContact CD1-CG2 4.39Å; F131-V289 HydrophobicContact CD2-CG2 4.21Å; F131-V289 HydrophobicContact CE1-CG2 4.1Å; F131-V289 HydrophobicContact CE2-CG2 3.91Å; F131-V289 HydrophobicContact CG-CG2 4.44Å; F131-V289 HydrophobicContact CZ-CG2 3.85Å |
| 132 | T | 95.9 | Very high | 94.3 | Very high | 104 Ų | 104 | 42.9 Ų | 42.9 | 64% | 0.638 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 123.9 | 172 | -63.5 | 0 | 0 | 0 | 0 | 108.6 | ||
| 133 | G | 94.3 | Very high | 94.4 | Very high | 23 Ų | 23 | 46.2 Ų | 46.2 | 24% | 0.237 | 25% | 0.253 | C | S | . | . | trans | -135.9 | -175 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y135 G136 Y238 | G133-Y135 PolarHBondContact O-N 3.12Å; G133-G136 CarbonylContact C-O 3.56Å; G133-G136 PolarHBondContact N-O 3.43Å; G133-Y238 VanDerWaalsContact CA-OH 3.27Å; G133-Y238 WeakPolarHBondContact CA-OH 3.29Å | ||
| 134 | K | 94.1 | Very high | 94.6 | Very high | 154 Ų | 154 | 44.2 Ų | 44.2 | 67% | 0.67 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -67.7 | -36.3 | -169.3 | -174.1 | -176.8 | -177.6 | -175 | 0 | 113.9 | Y238 I247 | K134-Y238 PolarHBondContact N-OH 2.96Å; K134-I247 HydrophobicContact CB-CD1 3.52Å; K134-I247 HydrophobicContact CD-CD1 3.61Å; K134-I247 HydrophobicContact CG-CD1 4.13Å |
| 135 | Y | 93.8 | Very high | 95 | Very high | 62 Ų | 62 | 39.3 Ų | 39.3 | 24% | 0.243 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -116.3 | 10.5 | -173.4 | -61.2 | -54.4 | 0 | 0 | 0 | 112.8 | A65 A66 W67 G133 Y238 K245 I247 | A65-Y135 CarbonylContact C-O 3.54Å; A65-Y135 WeakPolarHBondContact CA-O 3.33Å; A66-Y135 PolarHBondContact N-O 2.94Å; W67-Y135 HydrophobicContact CB-CD1 3.77Å; W67-Y135 HydrophobicContact CB-CE1 4.27Å; W67-Y135 HydrophobicContact CB-CG 4.43Å; G133-Y135 PolarHBondContact O-N 3.12Å; Y135-Y238 HydrophobicContact CD2-CD2 4.06Å; Y135-Y238 HydrophobicContact CD2-CE2 4.21Å; Y135-K245 HydrophobicContact CD2-CB 4.08Å; Y135-K245 HydrophobicContact CE2-CB 4.41Å; Y135-I247 HydrophobicContact CD2-CD1 3.56Å; Y135-I247 HydrophobicContact CD2-CG1 3.96Å; Y135-I247 HydrophobicContact CE2-CD1 3.42Å; Y135-I247 VanDerWaalsContact CE2-CD1 3.42Å; Y135-I247 HydrophobicContact CE2-CG1 3.68Å |
| 136 | G | 94.8 | Very high | 95.3 | Very high | 12 Ų | 12 | 32 Ų | 32 | 12% | 0.124 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.9 | 164.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | T64 G133 | T64-G136 CarbonylContact O-C 3.58Å; T64-G136 WeakPolarHBondContact O-CA 3.45Å; G133-G136 CarbonylContact C-O 3.56Å; G133-G136 PolarHBondContact N-O 3.43Å |
| 137 | S | 96.6 | Very high | 95.6 | Very high | 16 Ų | 16 | 28.9 Ų | 28.9 | 11% | 0.112 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 150.9 | -179.5 | 59.3 | 0 | 0 | 0 | 0 | 111.4 | A63 T64 F131 | A63-S137 CarbonylContact C-O 3.56Å; A63-S137 WeakPolarHBondContact CA-O 3.36Å; T64-S137 PolarHBondContact N-O 2.85Å; T64-S137 PolarHBondContact O-N 2.84Å; T64-S137 PolarHBondContact OG1-O 2.89Å; T64-S137 PolarHBondContact OG1-OG 2.77Å; F131-S137 CarbonylContact O-C 3.58Å; F131-S137 WeakPolarHBondContact O-CA 3.36Å; F131-S137 WeakPolarHBondContact O-CB 3.31Å |
| 138 | I | 97.4 | Very high | 95.5 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 111 | 169.9 | -55.7 | 177.2 | 0 | 0 | 0 | 105.8 | R62 A63 V128 S130 F131 Y140 I281 C284 I287 | R62-I138 WeakPolarHBondContact O-CA 3.39Å; A63-I138 HydrophobicContact CB-CG1 3.92Å; V128-I138 HydrophobicContact CB-CD1 4.36Å; V128-I138 HydrophobicContact CB-CG2 4.42Å; V128-I138 HydrophobicContact CG2-CD1 4.22Å; V128-I138 HydrophobicContact CG2-CG2 3.49Å; V128-I138 VanDerWaalsContact CG2-CG2 3.49Å; S130-I138 WeakPolarHBondContact CA-O 3.21Å; F131-I138 HydrophobicContact CB-CB 4.3Å; F131-I138 HydrophobicContact CB-CD1 4.27Å; F131-I138 HydrophobicContact CB-CG1 4.35Å; F131-I138 PolarHBondContact N-O 2.86Å; F131-I138 PolarHBondContact O-N 2.81Å; I138-Y140 HydrophobicContact CG2-CE2 3.82Å; I138-I281 HydrophobicContact CD1-CD1 4.19Å; I138-I281 HydrophobicContact CD1-CG2 4.11Å; I138-C284 HydrophobicContact CD1-CB 4.27Å; I138-I287 HydrophobicContact CD1-CB 4.32Å; I138-I287 HydrophobicContact CD1-CG2 4.43Å; I138-I287 HydrophobicContact CG1-CD1 3.87Å |
| 139 | Q | 96.5 | Very high | 95.2 | Very high | 79 Ų | 79 | 31.4 Ų | 31.4 | 37% | 0.369 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 136.4 | -173.6 | -65.1 | -177 | -2.2 | 0 | 0 | 110.6 | G61 R62 | G61-Q139 WeakPolarHBondContact CA-O 3.47Å; R62-Q139 PolarHBondContact N-O 2.84Å; R62-Q139 PolarHBondContact O-N 2.76Å |
| 140 | Y | 96.6 | Very high | 94.8 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 1% | 0.012 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 139 | 171.1 | -62.3 | -101.5 | 0 | 0 | 0 | 109.1 | Q60 L91 L127 V128 S130 I138 E159 L160 V162 | Q60-Y140 CarbonylContact O-C 3.58Å; Q60-Y140 WeakPolarHBondContact O-CA 3.4Å; L91-Y140 HydrophobicContact CB-CD1 4.15Å; L91-Y140 HydrophobicContact CB-CE1 4.08Å; L91-Y140 HydrophobicContact CD2-CD1 4Å; L127-Y140 HydrophobicContact CD1-CE1 4.32Å; L127-Y140 HydrophobicContact CD2-CE1 4.17Å; V128-Y140 WeakPolarHBondContact CG2-OH 3.48Å; V128-Y140 PolarHBondContact N-OH 3.45Å; V128-Y140 WeakPolarHBondContact O-CE2 3.23Å; V128-Y140 PolarHBondContact O-OH 3.26Å; S130-Y140 WeakPolarHBondContact OG-CD2 3.35Å; I138-Y140 HydrophobicContact CG2-CE2 3.82Å; Y140-E159 WeakPolarHBondContact O-CA 3.45Å; Y140-L160 WeakPolarHBondContact CB-O 3.48Å; Y140-L160 PolarHBondContact O-N 3.38Å; Y140-V162 HydrophobicContact CD1-CG2 3.92Å; Y140-V162 HydrophobicContact CD2-CB 3.74Å; Y140-V162 HydrophobicContact CD2-CG2 3.64Å; Y140-V162 HydrophobicContact CE1-CG2 4.34Å; Y140-V162 HydrophobicContact CE2-CB 3.81Å; Y140-V162 HydrophobicContact CE2-CG1 4.23Å; Y140-V162 HydrophobicContact CE2-CG2 4.09Å; Y140-V162 HydrophobicContact CG-CB 4.19Å; Y140-V162 HydrophobicContact CG-CG2 3.56Å |
| 141 | C | 95.6 | Very high | 94.3 | Very high | 13 Ų | 13 | 41.3 Ų | 41.3 | 9% | 0.088 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 149.1 | -178.6 | 63.4 | 0 | 0 | 0 | 0 | 112.4 | A59 Q60 K157 R158 | A59-C141 CarbonylContact C-O 3.52Å; A59-C141 VanDerWaalsContact CA-O 3.32Å; A59-C141 WeakPolarHBondContact CA-O 3.23Å; Q60-C141 PolarHBondContact N-O 2.77Å; Q60-C141 PolarHBondContact O-N 2.81Å; C141-K157 HydrophobicContact CB-CD 4.11Å; C141-K157 HydrophobicContact CB-CG 3.92Å; C141-K157 WeakPolarHBondContact SG-CE 3.19Å; C141-R158 CarbonylContact C-O 3.53Å; C141-R158 WeakPolarHBondContact CA-O 3.27Å; C141-R158 WeakPolarHBondContact CB-O 3.48Å |
| 142 | V | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 126.1 | 170.3 | -170.7 | 0 | 0 | 0 | 0 | 107.8 | L22 F24 L57 E58 A59 F120 K157 R158 | L22-V142 HydrophobicContact CD1-CB 4.35Å; L22-V142 HydrophobicContact CD1-CG1 3.87Å; F24-V142 HydrophobicContact CE1-CB 4.14Å; F24-V142 HydrophobicContact CE1-CG2 3.84Å; F24-V142 HydrophobicContact CZ-CB 4.08Å; F24-V142 HydrophobicContact CZ-CG2 3.85Å; L57-V142 HydrophobicContact CD1-CG1 3.65Å; L57-V142 HydrophobicContact CD2-CG1 3.91Å; L57-V142 HydrophobicContact CG-CG1 3.73Å; E58-V142 CarbonylContact O-C 3.52Å; E58-V142 WeakPolarHBondContact O-CA 3.45Å; A59-V142 HydrophobicContact CB-CG2 4.13Å; F120-V142 HydrophobicContact CE1-CG1 4.43Å; F120-V142 HydrophobicContact CE1-CG2 4.38Å; F120-V142 HydrophobicContact CZ-CG2 3.92Å; V142-K157 CarbonylContact O-C 3.55Å; V142-K157 WeakPolarHBondContact O-CA 3.49Å; V142-R158 PolarHBondContact N-O 3.21Å; V142-R158 PolarHBondContact O-N 3.34Å |
| 143 | R | 97.2 | Very high | 93.8 | Very high | 73 Ų | 73 | 45.3 Ų | 45.3 | 28% | 0.275 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 122.1 | -177.6 | 175.4 | 175.2 | 152 | -117 | -4.8 | 109.3 | L57 E58 V145 S155 V156 | L57-R143 CarbonylContact C-O 3.57Å; L57-R143 WeakPolarHBondContact CA-O 3.46Å; E58-R143 PolarHBondContact N-O 2.77Å; E58-R143 PolarHBondContact O-N 3.31Å; E58-R143 IonicContact OE1-NH1 2.81Å; E58-R143 IonicContact OE2-CZ 3.51Å; E58-R143 IonicContact OE2-NH1 3.05Å; E58-R143 PolarHBondContact OE2-NH1 3.38Å; R143-V145 HydrophobicContact CG-CG2 3.89Å; R143-S155 PolarHBondContact NE-OG 2.7Å; R143-V156 CarbonylContact C-O 3.52Å; R143-V156 VanDerWaalsContact CA-O 3.25Å; R143-V156 WeakPolarHBondContact CA-O 3.49Å |
| 144 | A | 97.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 131.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | L22 V42 R56 L57 S155 V156 | L22-A144 HydrophobicContact CD1-CB 3.98Å; V42-A144 HydrophobicContact CG1-CB 3.89Å; V42-A144 HydrophobicContact CG2-CB 3.75Å; R56-A144 CarbonylContact O-C 3.53Å; R56-A144 WeakPolarHBondContact O-CA 3.22Å; L57-A144 HydrophobicContact CD1-CB 4.08Å; A144-S155 CarbonylContact O-C 3.58Å; A144-S155 WeakPolarHBondContact O-CA 3.48Å; A144-S155 WeakPolarHBondContact O-CB 3.2Å; A144-V156 HydrophobicContact CB-CG1 3.93Å; A144-V156 PolarHBondContact N-O 3.27Å; A144-V156 PolarHBondContact O-N 3.1Å |
| 145 | V | 96.6 | Very high | 93.8 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.012 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 117.5 | -177.3 | -170.9 | 0 | 0 | 0 | 0 | 108.9 | R56 R143 E147 D153 | R56-V145 PolarHBondContact N-O 3.41Å; R56-V145 PolarHBondContact O-N 2.81Å; R143-V145 HydrophobicContact CG-CG2 3.89Å; V145-E147 HydrophobicContact CG1-CG 4.22Å; V145-D153 HydrophobicContact CG1-CB 3.98Å |
| 146 | L | 95.2 | Very high | 94 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 104.4 | 175.6 | -171.8 | 74.8 | 0 | 0 | 0 | 108.9 | V17 L20 L44 L52 L55 R148 Q154 | V17-L146 HydrophobicContact CG1-CD2 4.49Å; V17-L146 HydrophobicContact CG2-CD2 3.84Å; L20-L146 HydrophobicContact CD2-CB 4.19Å; L44-L146 HydrophobicContact CD1-CD2 3.83Å; L44-L146 HydrophobicContact CD2-CD1 3.94Å; L44-L146 HydrophobicContact CD2-CD2 4.49Å; L52-L146 HydrophobicContact CD1-CD1 4.03Å; L52-L146 HydrophobicContact CD2-CD1 3.45Å; L52-L146 VanDerWaalsContact CD2-CD1 3.45Å; L52-L146 HydrophobicContact CD2-CD2 4.16Å; L52-L146 HydrophobicContact CD2-CG 3.83Å; L52-L146 HydrophobicContact CG-CD1 4.35Å; L55-L146 HydrophobicContact CD1-CB 4.38Å; L55-L146 HydrophobicContact CD1-CD1 3.9Å; L146-R148 HydrophobicContact CD2-CG 4.43Å; L146-R148 HydrophobicContact CG-CG 4.3Å; L146-Q154 HydrophobicContact CB-CB 4.37Å; L146-Q154 PolarHBondContact N-O 2.72Å; L146-Q154 PolarHBondContact O-N 3.43Å; L146-Q154 VanDerWaalsContact O-N 3.09Å |
| 147 | E | 93.4 | Very high | 94 | Very high | 25 Ų | 25 | 46.4 Ų | 46.4 | 12% | 0.117 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 123.3 | 179.1 | -60.6 | -177 | -177.2 | 0 | 0 | 109.5 | R53 A54 R56 V145 | R53-E147 HydrophobicContact CB-CB 4.13Å; R53-E147 PolarHBondContact N-O 3.38Å; A54-E147 HydrophobicContact CB-CB 4.43Å; A54-E147 PolarHBondContact O-N 2.84Å; R56-E147 WeakPolarHBondContact CD-OE1 3.32Å; R56-E147 IonicContact CZ-OE1 2.84Å; R56-E147 IonicContact CZ-OE2 3.98Å; R56-E147 IonicContact NE-OE1 3.97Å; R56-E147 PolarHBondContact NE-OE1 3.22Å; R56-E147 IonicContact NE-OE2 3.57Å; R56-E147 IonicContact NH1-OE1 2.58Å; R56-E147 PolarHBondContact NH1-OE1 3.49Å; R56-E147 IonicContact NH1-OE2 3.73Å; R56-E147 IonicContact NH2-OE1 3.61Å; R56-E147 IonicContact NH2-OE2 3.5Å; R56-E147 PolarHBondContact NH2-OE2 3.24Å; V145-E147 HydrophobicContact CG1-CG 4.22Å |
| 148 | R | 90.6 | Very high | 93.9 | Very high | 28 Ų | 28 | 51.7 Ų | 51.7 | 11% | 0.106 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 149.2 | -179.2 | -67.5 | -167.7 | -67.4 | 153.7 | 2.2 | 111.4 | G15 V50 L52 L146 V151 Q154 | G15-R148 PolarHBondContact O-NH1 3.16Å; G15-R148 VanDerWaalsContact O-NH1 3.11Å; V50-R148 HydrophobicContact CG1-CG 4.48Å; L52-R148 HydrophobicContact CD2-CG 3.81Å; L146-R148 HydrophobicContact CD2-CG 4.43Å; L146-R148 HydrophobicContact CG-CG 4.3Å; R148-V151 HydrophobicContact CB-CB 4.27Å; R148-Q154 VanDerWaalsContact NH2-CD 3.31Å |
| 149 | P | 88.8 | Confident | 93.8 | Very high | 31 Ų | 31 | 57.6 Ų | 57.6 | 20% | 0.201 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | 136.9 | 174.6 | -9.5 | 23.6 | 0 | 0 | 0 | 110 | A51 R53 I106 V151 | A51-P149 HydrophobicContact CB-CG 3.93Å; A51-P149 WeakPolarHBondContact O-CD 3.37Å; R53-P149 HydrophobicContact CG-CG 4.11Å; I106-P149 HydrophobicContact CD1-CB 4.22Å; I106-P149 HydrophobicContact CD1-CG 3.73Å; I106-P149 HydrophobicContact CG1-CG 4.07Å; I106-P149 HydrophobicContact CG2-CG 4.17Å; P149-V151 PolarHBondContact O-N 2.9Å |
| 150 | K | 86.2 | Confident | 93.6 | Very high | 193 Ų | 193 | 54 Ų | 54 | 84% | 0.839 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.3 | 0.6 | 172.8 | -51 | 178 | -176.9 | 173.8 | 0 | 116.1 | ||
| 151 | V | 87.4 | Confident | 93.5 | Very high | 37 Ų | 37 | 58.4 Ų | 58.4 | 22% | 0.224 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 141.5 | 179.6 | -173.6 | 0 | 0 | 0 | 0 | 108.6 | R148 P149 | R148-V151 HydrophobicContact CB-CB 4.27Å; P149-V151 PolarHBondContact O-N 2.9Å |
| 152 | P | 89.9 | Confident | 93.5 | Very high | 108 Ų | 108 | 57.8 Ų | 57.8 | 70% | 0.701 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59 | 147.5 | 175.4 | 24.1 | -35.6 | 0 | 0 | 0 | 112.1 | Q154 | P152-Q154 PolarHBondContact O-N 3.48Å |
| 153 | D | 91.9 | Very high | 93.3 | Very high | 90 Ų | 90 | 59.2 Ų | 59.2 | 48% | 0.481 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 133 | -179.6 | -58.5 | -21.9 | 0 | 0 | 0 | 110.7 | V145 | V145-D153 HydrophobicContact CG1-CB 3.98Å |
| 154 | Q | 93.1 | Very high | 93.1 | Very high | 68 Ų | 68 | 56.5 Ų | 56.5 | 32% | 0.318 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 139.9 | 171.7 | -67.6 | -176.8 | -20.5 | 0 | 0 | 108.4 | L146 R148 P152 | L146-Q154 HydrophobicContact CB-CB 4.37Å; L146-Q154 PolarHBondContact N-O 2.72Å; L146-Q154 PolarHBondContact O-N 3.43Å; L146-Q154 VanDerWaalsContact O-N 3.09Å; R148-Q154 VanDerWaalsContact NH2-CD 3.31Å; P152-Q154 PolarHBondContact O-N 3.48Å |
| 155 | S | 94.9 | Very high | 92.8 | Very high | 66 Ų | 66 | 61.8 Ų | 61.8 | 46% | 0.462 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 150.2 | 174.8 | 64.4 | 0 | 0 | 0 | 0 | 112.8 | R143 A144 | R143-S155 PolarHBondContact NE-OG 2.7Å; A144-S155 CarbonylContact O-C 3.58Å; A144-S155 WeakPolarHBondContact O-CA 3.48Å; A144-S155 WeakPolarHBondContact O-CB 3.2Å |
| 156 | V | 96.8 | Very high | 92.6 | Very high | 32 Ų | 32 | 62.7 Ų | 62.7 | 19% | 0.194 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 138.7 | 172.7 | 62.2 | 0 | 0 | 0 | 0 | 107.9 | L20 L22 R143 A144 | L20-V156 HydrophobicContact CD2-CB 4.35Å; L20-V156 HydrophobicContact CD2-CG1 3.99Å; L20-V156 HydrophobicContact CG-CB 4.34Å; L20-V156 HydrophobicContact CG-CG1 3.79Å; L22-V156 HydrophobicContact CB-CG1 3.85Å; R143-V156 CarbonylContact C-O 3.52Å; R143-V156 VanDerWaalsContact CA-O 3.25Å; R143-V156 WeakPolarHBondContact CA-O 3.49Å; A144-V156 HydrophobicContact CB-CG1 3.93Å; A144-V156 PolarHBondContact N-O 3.27Å; A144-V156 PolarHBondContact O-N 3.1Å |
| 157 | K | 95.6 | Very high | 92.4 | Very high | 108 Ų | 108 | 65.7 Ų | 65.7 | 47% | 0.47 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 138.4 | -176.9 | -176.4 | -173.1 | 178.1 | -174.4 | 0 | 109.5 | C141 V142 | C141-K157 HydrophobicContact CB-CD 4.11Å; C141-K157 HydrophobicContact CB-CG 3.92Å; C141-K157 WeakPolarHBondContact SG-CE 3.19Å; V142-K157 CarbonylContact O-C 3.55Å; V142-K157 WeakPolarHBondContact O-CA 3.49Å |
| 158 | R | 94.8 | Very high | 92.4 | Very high | 128 Ų | 128 | 64.5 Ų | 64.5 | 48% | 0.483 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 144.3 | 165.7 | -68.6 | -65.9 | -162.6 | 161.2 | 2.6 | 110 | L22 F24 C141 V142 | L22-R158 HydrophobicContact CB-CG 4.2Å; L22-R158 HydrophobicContact CD2-CB 3.76Å; L22-R158 HydrophobicContact CD2-CG 3.5Å; L22-R158 HydrophobicContact CG-CG 4.42Å; L22-R158 PolarHBondContact O-NE 3.49Å; F24-R158 HydrophobicContact CE2-CB 3.77Å; F24-R158 HydrophobicContact CZ-CB 3.9Å; C141-R158 CarbonylContact C-O 3.53Å; C141-R158 WeakPolarHBondContact CA-O 3.27Å; C141-R158 WeakPolarHBondContact CB-O 3.48Å; V142-R158 PolarHBondContact N-O 3.21Å; V142-R158 PolarHBondContact O-N 3.34Å |
| 159 | E | 94.3 | Very high | 92.5 | Very high | 125 Ų | 125 | 64.8 Ų | 64.8 | 58% | 0.584 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 144.1 | 174.2 | -64.8 | -177.1 | 174.3 | 0 | 0 | 110.2 | Y140 | Y140-E159 WeakPolarHBondContact O-CA 3.45Å |
| 160 | L | 93 | Very high | 92.7 | Very high | 4 Ų | 4 | 66.3 Ų | 66.3 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 120.4 | 174.7 | -171.4 | 75.7 | 0 | 0 | 0 | 107.1 | F24 Y32 V38 L122 Y140 V162 | F24-L160 HydrophobicContact CZ-CD1 4.27Å; Y32-L160 HydrophobicContact CD1-CD1 4.44Å; Y32-L160 HydrophobicContact CD2-CD1 3.27Å; Y32-L160 HydrophobicContact CD2-CG 3.91Å; Y32-L160 HydrophobicContact CE1-CD1 4.48Å; Y32-L160 HydrophobicContact CE2-CD1 3.36Å; Y32-L160 HydrophobicContact CE2-CG 4.45Å; Y32-L160 HydrophobicContact CG-CD1 3.87Å; Y32-L160 HydrophobicContact CG-CG 4.33Å; V38-L160 HydrophobicContact CG1-CD1 4.21Å; V38-L160 HydrophobicContact CG2-CD1 4.18Å; V38-L160 HydrophobicContact CG2-CD2 4.05Å; L122-L160 HydrophobicContact CD1-CD2 4.39Å; L122-L160 HydrophobicContact CD2-CD2 4.08Å; Y140-L160 WeakPolarHBondContact CB-O 3.48Å; Y140-L160 PolarHBondContact O-N 3.38Å; L160-V162 HydrophobicContact CD2-CG2 3.98Å; L160-V162 HydrophobicContact CG-CG2 4.2Å; L160-V162 PolarHBondContact O-N 2.68Å |
| 161 | Q | 94.2 | Very high | 92.9 | Very high | 95 Ų | 95 | 62 Ų | 62 | 44% | 0.444 | 33% | 0.328 | S | S | . | . | trans | -82.6 | 115.8 | 174.9 | -69.1 | -62.1 | -31.2 | 0 | 0 | 108.8 | G30 C31 Y32 | G30-Q161 WeakPolarHBondContact O-CB 3.45Å; C31-Q161 CarbonylContact C-O 3.56Å; C31-Q161 VanDerWaalsContact CA-O 3.31Å; C31-Q161 WeakPolarHBondContact CA-O 3.41Å; C31-Q161 HydrophobicContact CB-CB 4.44Å; Y32-Q161 PolarHBondContact N-O 3.49Å | ||
| 162 | V | 95.1 | Very high | 93 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 34% | 0.343 | C | S | . | . | B | Isolated β-bridge | trans | -109.5 | 133.8 | 178.3 | 178.3 | 0 | 0 | 0 | 0 | 110 | Y32 L127 T129 S130 Y140 L160 | Y32-V162 CarbonylContact O-C 3.52Å; Y32-V162 VanDerWaalsContact O-CA 3.23Å; Y32-V162 WeakPolarHBondContact O-CA 3.43Å; L127-V162 HydrophobicContact CB-CG1 3.79Å; L127-V162 HydrophobicContact CD1-CG1 3.91Å; T129-V162 CarbonylContact C-O 3.5Å; T129-V162 WeakPolarHBondContact CA-O 3.02Å; S130-V162 PolarHBondContact N-O 3.35Å; S130-V162 PolarHBondContact OG-N 3.29Å; S130-V162 PolarHBondContact OG-O 3.23Å; Y140-V162 HydrophobicContact CD1-CG2 3.92Å; Y140-V162 HydrophobicContact CD2-CB 3.74Å; Y140-V162 HydrophobicContact CD2-CG2 3.64Å; Y140-V162 HydrophobicContact CE1-CG2 4.34Å; Y140-V162 HydrophobicContact CE2-CB 3.81Å; Y140-V162 HydrophobicContact CE2-CG1 4.23Å; Y140-V162 HydrophobicContact CE2-CG2 4.09Å; Y140-V162 HydrophobicContact CG-CB 4.19Å; Y140-V162 HydrophobicContact CG-CG2 3.56Å; L160-V162 HydrophobicContact CD2-CG2 3.98Å; L160-V162 HydrophobicContact CG-CG2 4.2Å; L160-V162 PolarHBondContact O-N 2.68Å |
| 163 | V | 93.8 | Very high | 93.2 | Very high | 31 Ų | 31 | 59.2 Ų | 59.2 | 19% | 0.188 | 32% | 0.315 | C | S | . | . | trans | -122 | 123.2 | 176.4 | 176.4 | 0 | 0 | 0 | 0 | 109.2 | C31 Y32 S33 T315 | C31-V163 HydrophobicContact CB-CB 4.5Å; C31-V163 HydrophobicContact CB-CG2 3.78Å; Y32-V163 PolarHBondContact O-N 3.44Å; S33-V163 PolarHBondContact OG-O 3Å; V163-T315 HydrophobicContact CG1-CG2 3.76Å | ||
| 164 | S | 92.9 | Very high | 93.3 | Very high | 15 Ų | 15 | 57.8 Ų | 57.8 | 11% | 0.105 | 31% | 0.307 | C | S | . | . | trans | -82 | 128.1 | 168.8 | -159.9 | 0 | 0 | 0 | 0 | 109.2 | L127 T129 | L127-S164 WeakPolarHBondContact O-CB 3.28Å; L127-S164 PolarHBondContact O-OG 2.78Å; T129-S164 VanDerWaalsContact OG1-CB 3.26Å; T129-S164 WeakPolarHBondContact OG1-CB 3.32Å; T129-S164 PolarHBondContact OG1-N 3.47Å | ||
| 165 | H | 90.8 | Very high | 93.2 | Very high | 112 Ų | 112 | 58.1 Ų | 58.1 | 52% | 0.519 | 31% | 0.314 | S | S | . | . | trans | -80.7 | 124.5 | -179 | -70.6 | -57.4 | 0 | 0 | 0 | 111.3 | S33 T315 I316 | S33-H165 PolarHBondContact OG-CD2 2.85Å; S33-H165 PolarHBondContact OG-NE2 3.49Å; H165-T315 VanDerWaalsContact CA-OG1 3.29Å; H165-T315 WeakPolarHBondContact CA-OG1 3.19Å; H165-T315 PolarHBondContact ND1-OG1 2.84Å; H165-I316 HydrophobicContact CB-CD1 4.2Å | ||
| 166 | V | 91.9 | Very high | 93.2 | Very high | 20 Ų | 20 | 58.9 Ų | 58.9 | 12% | 0.121 | 32% | 0.317 | C | S | . | . | trans | -114 | 114.3 | 174.6 | 177 | 0 | 0 | 0 | 0 | 108.1 | V312 G314 T315 I316 | V166-V312 HydrophobicContact CG1-CG1 3.81Å; V166-G314 WeakPolarHBondContact O-CA 3.48Å; V166-T315 PolarHBondContact N-OG1 2.91Å; V166-T315 VanDerWaalsContact N-OG1 3.1Å; V166-T315 PolarHBondContact O-N 2.75Å; V166-I316 PolarHBondContact O-N 2.72Å | ||
| 167 | D | 92.1 | Very high | 93.1 | Very high | 63 Ų | 63 | 58.4 Ų | 58.4 | 34% | 0.337 | 31% | 0.314 | S | S | . | . | B | Isolated β-bridge | trans | -85.7 | 109.7 | 179.1 | -170.3 | 0.7 | 0 | 0 | 0 | 111.7 | N169 T170 I316 | D167-N169 PolarHBondContact O-N 3.45Å; D167-N169 VanDerWaalsContact OD1-CB 3.23Å; D167-N169 WeakPolarHBondContact OD1-CB 3.41Å; D167-N169 PolarHBondContact OD1-N 3.21Å; D167-N169 PolarHBondContact OD1-ND2 2.95Å; D167-T170 PolarHBondContact O-N 2.81Å; D167-T170 PolarHBondContact O-OG1 3.04Å; D167-I316 HydrophobicContact CB-CD1 4.02Å |
| 168 | V | 93.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -12.1 | 178.4 | -53 | 0 | 0 | 0 | 0 | 113.1 | T170 L174 I316 | V168-T170 PolarHBondContact O-N 2.79Å; V168-L174 WeakPolarHBondContact O-CD2 3.26Å; V168-I316 WeakPolarHBondContact CG2-O 3.09Å |
| 169 | N | 93.1 | Very high | 93.3 | Very high | 34 Ų | 34 | 56.5 Ų | 56.5 | 18% | 0.182 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -4.7 | 177.3 | -57.1 | -73.4 | 0 | 0 | 0 | 112.9 | D167 L174 P317 Y318 N319 | D167-N169 PolarHBondContact O-N 3.45Å; D167-N169 VanDerWaalsContact OD1-CB 3.23Å; D167-N169 WeakPolarHBondContact OD1-CB 3.41Å; D167-N169 PolarHBondContact OD1-N 3.21Å; D167-N169 PolarHBondContact OD1-ND2 2.95Å; N169-L174 WeakPolarHBondContact O-CD1 3.24Å; N169-P317 PolarHBondContact ND2-O 3.49Å; N169-Y318 WeakPolarHBondContact OD1-CA 3.23Å; N169-Y318 VanDerWaalsContact OD1-CD2 3.23Å; N169-Y318 WeakPolarHBondContact OD1-CD2 3.24Å; N169-N319 PolarHBondContact OD1-N 2.99Å |
| 170 | T | 91.3 | Very high | 93.5 | Very high | 63 Ų | 63 | 55 Ų | 55 | 39% | 0.387 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -58.4 | 133.4 | 175.2 | -52.8 | 0 | 0 | 0 | 0 | 110.4 | D167 V168 A172 L173 L174 | D167-T170 PolarHBondContact O-N 2.81Å; D167-T170 PolarHBondContact O-OG1 3.04Å; V168-T170 PolarHBondContact O-N 2.79Å; T170-A172 PolarHBondContact O-N 3.21Å; T170-L173 WeakPolarHBondContact O-CA 3.45Å; T170-L173 PolarHBondContact O-N 3.1Å; T170-L174 PolarHBondContact O-N 3.25Å |
| 171 | P | 90.6 | Very high | 93.6 | Very high | 102 Ų | 102 | 59 Ų | 59 | 66% | 0.662 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -51.7 | -37.8 | -174.7 | -30.4 | 35 | 0 | 0 | 0 | 114.8 | L173 L174 | P171-L173 PolarHBondContact O-N 3.27Å; P171-L174 PolarHBondContact O-N 2.91Å |
| 172 | A | 90.5 | Very high | 93.7 | Very high | 67 Ų | 67 | 60.3 Ų | 60.3 | 55% | 0.554 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61 | -30.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | T170 T175 | T170-A172 PolarHBondContact O-N 3.21Å; A172-T175 PolarHBondContact O-OG1 3.29Å |
| 173 | L | 93.3 | Very high | 93.6 | Very high | 20 Ų | 20 | 62.9 Ų | 62.9 | 11% | 0.105 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -90.1 | -15.5 | -179.3 | -60.9 | -176.5 | 0 | 0 | 0 | 113.2 | T170 P171 T175 R203 K204 G205 V312 | T170-L173 WeakPolarHBondContact O-CA 3.45Å; T170-L173 PolarHBondContact O-N 3.1Å; P171-L173 PolarHBondContact O-N 3.27Å; L173-T175 VanDerWaalsContact C-N 3.34Å; L173-R203 WeakPolarHBondContact O-CB 3.27Å; L173-K204 HydrophobicContact CD2-CB 4.49Å; L173-K204 HydrophobicContact CD2-CD 4.01Å; L173-K204 HydrophobicContact CD2-CG 4.06Å; L173-K204 PolarHBondContact O-N 2.9Å; L173-G205 PolarHBondContact O-N 2.94Å; L173-V312 HydrophobicContact CD1-CB 4.34Å; L173-V312 HydrophobicContact CD1-CG1 4.03Å; L173-V312 HydrophobicContact CD2-CB 3.93Å; L173-V312 HydrophobicContact CD2-CG1 4.38Å; L173-V312 HydrophobicContact CD2-CG2 3.73Å |
| 174 | L | 93.7 | Very high | 93.4 | Very high | 60 Ų | 60 | 67.4 Ų | 67.4 | 31% | 0.314 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -84.9 | -9 | 176 | -62 | -176.4 | 0 | 0 | 0 | 113.5 | V168 N169 T170 P171 Y318 | V168-L174 WeakPolarHBondContact O-CD2 3.26Å; N169-L174 WeakPolarHBondContact O-CD1 3.24Å; T170-L174 PolarHBondContact O-N 3.25Å; P171-L174 PolarHBondContact O-N 2.91Å; L174-Y318 HydrophobicContact CD1-CE2 4.36Å; L174-Y318 HydrophobicContact CD2-CD2 3.6Å; L174-Y318 HydrophobicContact CD2-CE2 3.31Å; L174-Y318 HydrophobicContact CG-CE2 4.47Å |
| 175 | T | 91.7 | Very high | 93 | Very high | 75 Ų | 75 | 66.8 Ų | 66.8 | 46% | 0.46 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -69.4 | 134 | 179.8 | 56.1 | 0 | 0 | 0 | 0 | 111.8 | A172 L173 | A172-T175 PolarHBondContact O-OG1 3.29Å; L173-T175 VanDerWaalsContact C-N 3.34Å |
| 176 | P | 94.4 | Very high | 92.3 | Very high | 82 Ų | 82 | 63.7 Ų | 63.7 | 53% | 0.532 | 36% | 0.364 | S | S | . | . | trans | -68.5 | 145.6 | 174.8 | 27.7 | -33.9 | 0 | 0 | 0 | 110.5 | I201 E202 | P176-I201 CarbonylContact C-O 3.37Å; P176-I201 VanDerWaalsContact CA-O 3.3Å; P176-I201 WeakPolarHBondContact CA-O 3.39Å; P176-I201 WeakPolarHBondContact CB-O 3.44Å; P176-E202 WeakPolarHBondContact CA-O 3.44Å; P176-E202 WeakPolarHBondContact CB-O 3.32Å | ||
| 177 | V | 95.9 | Very high | 91.1 | Very high | 22 Ų | 22 | 66.9 Ų | 66.9 | 13% | 0.133 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 121 | 178.1 | -170 | 0 | 0 | 0 | 0 | 108.3 | K200 I201 K204 L309 P310 | V177-K200 CarbonylContact O-C 3.45Å; V177-K200 VanDerWaalsContact O-CA 3.23Å; V177-K200 WeakPolarHBondContact O-CA 3.31Å; V177-I201 HydrophobicContact CB-CD1 4.24Å; V177-I201 HydrophobicContact CB-CG1 3.82Å; V177-I201 HydrophobicContact CG2-CD1 4.32Å; V177-I201 HydrophobicContact CG2-CG1 4.23Å; V177-I201 PolarHBondContact N-O 2.81Å; V177-I201 PolarHBondContact O-N 3.47Å; V177-K204 HydrophobicContact CG2-CB 4.35Å; V177-L309 HydrophobicContact CB-CD2 4.11Å; V177-L309 HydrophobicContact CG1-CB 4.31Å; V177-L309 HydrophobicContact CG1-CD2 3.45Å; V177-L309 VanDerWaalsContact CG1-CD2 3.45Å; V177-L309 HydrophobicContact CG1-CG 4.49Å; V177-P310 HydrophobicContact CG1-CG 4.48Å |
| 178 | L | 96.9 | Very high | 89.5 | Confident | 107 Ų | 107 | 74.9 Ų | 74.9 | 56% | 0.56 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 133.5 | 174.4 | 172.2 | 69.4 | 0 | 0 | 0 | 108.9 | S198 A199 K200 | L178-S198 WeakPolarHBondContact CD1-OG 3.11Å; L178-A199 WeakPolarHBondContact CA-O 3.36Å; L178-K200 HydrophobicContact CB-CB 4.48Å; L178-K200 HydrophobicContact CB-CG 4.46Å; L178-K200 HydrophobicContact CD1-CB 3.82Å |
| 179 | K | 97.7 | Very high | 88 | Confident | 89 Ų | 89 | 82.8 Ų | 82.8 | 39% | 0.387 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 146 | 168.1 | -70.4 | -173.3 | 177.2 | -175.2 | 0 | 109.7 | S198 A199 L307 E308 L309 | K179-S198 WeakPolarHBondContact O-CA 3.41Å; K179-A199 PolarHBondContact N-O 3.31Å; K179-A199 PolarHBondContact O-N 2.92Å; K179-L307 HydrophobicContact CB-CD1 4.09Å; K179-L307 HydrophobicContact CB-CD2 3.94Å; K179-L307 HydrophobicContact CB-CG 4.48Å; K179-L307 VanDerWaalsContact O-CD1 3.23Å; K179-L307 WeakPolarHBondContact O-CD1 3.24Å; K179-E308 WeakPolarHBondContact CD-O 3.28Å; K179-E308 WeakPolarHBondContact CE-O 3.47Å; K179-E308 PolarHBondContact NZ-O 2.94Å; K179-L309 HydrophobicContact CB-CD2 3.98Å; K179-L309 HydrophobicContact CD-CD2 4.08Å; K179-L309 HydrophobicContact CG-CD2 3.79Å |
| 180 | T | 97.3 | Very high | 86.7 | Confident | 95 Ų | 95 | 88.9 Ų | 88.9 | 58% | 0.583 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 139.5 | 175.2 | -56.1 | 0 | 0 | 0 | 0 | 109 | L197 S198 | T180-L197 CarbonylContact C-O 3.5Å; T180-L197 WeakPolarHBondContact CA-O 2.92Å; T180-S198 PolarHBondContact OG1-OG 2.95Å |
| 181 | Q | 96.4 | Very high | 85.4 | Confident | 87 Ų | 87 | 92.8 Ų | 92.8 | 41% | 0.407 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 144 | 174.5 | -170.4 | 176.3 | 39.6 | 0 | 0 | 110.1 | L197 L305 M306 L307 | Q181-L197 PolarHBondContact N-O 3.33Å; Q181-L197 PolarHBondContact O-N 2.98Å; Q181-L305 HydrophobicContact CB-CD1 4.02Å; Q181-L305 HydrophobicContact CG-CD1 3.61Å; Q181-L305 VanDerWaalsContact OE1-CD1 3.24Å; Q181-M306 PolarHBondContact OE1-O 2.67Å; Q181-L307 HydrophobicContact CB-CD2 3.47Å; Q181-L307 VanDerWaalsContact CB-CD2 3.47Å; Q181-L307 HydrophobicContact CB-CG 4.24Å |
| 182 | E | 95 | Very high | 84.8 | Confident | 122 Ų | 122 | 88.7 Ų | 88.7 | 57% | 0.57 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 151.1 | 176.9 | -174.5 | -178.2 | -164.5 | 0 | 0 | 109.8 | P194 V195 | E182-P194 HydrophobicContact CG-CB 3.72Å; E182-P194 WeakPolarHBondContact OE1-CB 3.4Å; E182-P194 WeakPolarHBondContact OE1-CG 3.33Å; E182-V195 WeakPolarHBondContact CA-O 3.27Å |
| 183 | K | 92.6 | Very high | 84.7 | Confident | 55 Ų | 55 | 86.6 Ų | 86.6 | 24% | 0.239 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 127.9 | 177.4 | 177.3 | 178.3 | 177.3 | 179.2 | 0 | 112.5 | P194 V195 K303 L305 | K183-P194 CarbonylContact O-C 3.55Å; K183-P194 WeakPolarHBondContact O-CA 3.44Å; K183-V195 PolarHBondContact N-O 3.29Å; K183-V195 PolarHBondContact O-N 3.22Å; K183-K303 PolarHBondContact NZ-O 2.91Å; K183-L305 HydrophobicContact CB-CD1 4.03Å; K183-L305 HydrophobicContact CB-CD2 4.32Å |
| 184 | M | 90.3 | Very high | 84.7 | Confident | 126 Ų | 126 | 87 Ų | 87 | 62% | 0.621 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 130.9 | 169 | -66.8 | -60.1 | -67.7 | 0 | 0 | 111.9 | P194 | M184-P194 HydrophobicContact SD-CB 3.74Å; M184-P194 HydrophobicContact SD-CG 4.17Å |
| 185 | V | 85.6 | Confident | 84.9 | Confident | 2 Ų | 2 | 84.1 Ų | 84.1 | 1% | 0.012 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 104.8 | 177.1 | -179.9 | 0 | 0 | 0 | 0 | 108.6 | S192 V195 R224 I299 | V185-S192 CarbonylContact O-C 3.23Å; V185-S192 VanDerWaalsContact O-C 3.23Å; V185-S192 WeakPolarHBondContact O-CA 3.21Å; V185-S192 WeakPolarHBondContact O-CB 3.15Å; V185-S192 PolarHBondContact O-N 3.21Å; V185-S192 PolarHBondContact O-OG 2.79Å; V185-V195 HydrophobicContact CG2-CB 4.41Å; V185-V195 HydrophobicContact CG2-CG2 3.68Å; V185-R224 HydrophobicContact CG1-CG 4.4Å; V185-I299 HydrophobicContact CG1-CG2 4.02Å; V185-I299 HydrophobicContact CG2-CD1 3.96Å; V185-I299 HydrophobicContact CG2-CG2 4.16Å |
| 186 | G | 76.1 | Confident | 85.1 | Confident | 47 Ų | 47 | 81.7 Ų | 81.7 | 49% | 0.485 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 164.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 187 | C | 65.5 | Low | 85.3 | Confident | 87 Ų | 87 | 77.8 Ų | 77.8 | 59% | 0.588 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 165.3 | 164.6 | -171.2 | 0 | 0 | 0 | 0 | 108.5 | F189 F190 | C187-F189 PolarHBondContact O-N 3.17Å; C187-F190 PolarHBondContact N-O 2.9Å; C187-F190 PolarHBondContact O-N 2.85Å; C187-F190 VanDerWaalsContact O-O 3.05Å |
| 188 | W | 59.1 | Low | 85.4 | Confident | 230 Ų | 230 | 77.7 Ų | 77.7 | 87% | 0.871 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | -24.7 | -172.1 | -166.4 | -70.1 | 0 | 0 | 0 | 114.9 | ||
| 189 | F | 61.7 | Low | 85.5 | Confident | 166 Ų | 166 | 72.6 Ų | 72.6 | 73% | 0.728 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.7 | -5.1 | -178.4 | -57.2 | -77.5 | 0 | 0 | 0 | 115.1 | C187 | C187-F189 PolarHBondContact O-N 3.17Š|
| 190 | F | 65.1 | Low | 85.5 | Confident | 162 Ų | 162 | 72.9 Ų | 72.9 | 71% | 0.711 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 121.2 | -176.7 | -60.3 | -76 | 0 | 0 | 0 | 110.9 | C187 | C187-F190 PolarHBondContact N-O 2.9Å; C187-F190 PolarHBondContact O-N 2.85Å; C187-F190 VanDerWaalsContact O-O 3.05Å |
| 191 | T | 64.6 | Low | 85.5 | Confident | 145 Ų | 145 | 68.4 Ų | 68.4 | 89% | 0.89 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 122 | 167.5 | 49.8 | 0 | 0 | 0 | 0 | 108.4 | ||
| 192 | S | 78.3 | Confident | 85.4 | Confident | 16 Ų | 16 | 68 Ų | 68 | 11% | 0.112 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 154.7 | 165.8 | 137.6 | 0 | 0 | 0 | 0 | 107.4 | V185 S222 S223 | V185-S192 CarbonylContact O-C 3.23Å; V185-S192 VanDerWaalsContact O-C 3.23Å; V185-S192 WeakPolarHBondContact O-CA 3.21Å; V185-S192 WeakPolarHBondContact O-CB 3.15Å; V185-S192 PolarHBondContact O-N 3.21Å; V185-S192 PolarHBondContact O-OG 2.79Å; S192-S222 WeakPolarHBondContact OG-CA 3.43Å; S192-S222 VanDerWaalsContact OG-CB 3.26Å; S192-S222 WeakPolarHBondContact OG-CB 3.35Å; S192-S223 PolarHBondContact OG-N 3.44Å |
| 193 | G | 88.1 | Confident | 85.4 | Confident | 24 Ų | 24 | 63.6 Ų | 63.6 | 25% | 0.247 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 173.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | C221 S222 | G193-C221 CarbonylContact C-O 3.47Å; G193-C221 WeakPolarHBondContact CA-O 3.15Å; G193-C221 PolarHBondContact N-O 3.34Å; G193-S222 WeakPolarHBondContact O-CA 3.25Å; G193-S222 WeakPolarHBondContact O-CB 3.3Å |
| 194 | P | 93.8 | Very high | 85.6 | Confident | 28 Ų | 28 | 64 Ų | 64 | 18% | 0.182 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 161.3 | -177.4 | 27.6 | -33.2 | 0 | 0 | 0 | 113 | E182 K183 M184 C221 S222 | E182-P194 HydrophobicContact CG-CB 3.72Å; E182-P194 WeakPolarHBondContact OE1-CB 3.4Å; E182-P194 WeakPolarHBondContact OE1-CG 3.33Å; K183-P194 CarbonylContact O-C 3.55Å; K183-P194 WeakPolarHBondContact O-CA 3.44Å; M184-P194 HydrophobicContact SD-CB 3.74Å; M184-P194 HydrophobicContact SD-CG 4.17Å; P194-C221 HydrophobicContact CG-CB 4.11Å; P194-C221 CarbonylContact O-C 3.41Å; P194-C221 VanDerWaalsContact O-CA 3.27Å; P194-C221 WeakPolarHBondContact O-CA 3.22Å; P194-C221 VanDerWaalsContact O-CB 3.23Å; P194-C221 WeakPolarHBondContact O-CB 3.41Å; P194-C221 PolarHBondContact O-N 2.8Å; P194-S222 PolarHBondContact O-N 3.28Å |
| 195 | V | 96.3 | Very high | 85.9 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 124.1 | 160.9 | 178.4 | 0 | 0 | 0 | 0 | 106.9 | E182 K183 V185 E219 I226 I297 I299 L305 | E182-V195 WeakPolarHBondContact CA-O 3.27Å; K183-V195 PolarHBondContact N-O 3.29Å; K183-V195 PolarHBondContact O-N 3.22Å; V185-V195 HydrophobicContact CG2-CB 4.41Å; V185-V195 HydrophobicContact CG2-CG2 3.68Å; V195-E219 CarbonylContact C-O 3.49Å; V195-E219 WeakPolarHBondContact CA-O 3.2Å; V195-I226 HydrophobicContact CG1-CD1 3.86Å; V195-I226 HydrophobicContact CG2-CG2 4.39Å; V195-I297 HydrophobicContact CG1-CD1 3.58Å; V195-I297 HydrophobicContact CG1-CG2 4.27Å; V195-I299 HydrophobicContact CB-CD1 4.24Å; V195-I299 HydrophobicContact CG1-CD1 4.47Å; V195-I299 HydrophobicContact CG2-CD1 4.1Å; V195-L305 HydrophobicContact CB-CD2 4.48Å; V195-L305 HydrophobicContact CG1-CD2 4.15Å; V195-L305 VanDerWaalsContact O-CD2 3.28Å; V195-L305 WeakPolarHBondContact O-CD2 3.33Å |
| 196 | S | 97.1 | Very high | 86.4 | Confident | 24 Ų | 24 | 58 Ų | 58 | 17% | 0.168 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 145.3 | 177.5 | 91.6 | 0 | 0 | 0 | 0 | 110.4 | E219 | S196-E219 PolarHBondContact N-O 3.26Å; S196-E219 PolarHBondContact O-N 2.83Å; S196-E219 VanDerWaalsContact O-N 3.08Å; S196-E219 VanDerWaalsContact OG-CB 3.24Å; S196-E219 WeakPolarHBondContact OG-CB 3.47Å; S196-E219 PolarHBondContact OG-OE2 3.23Å |
| 197 | L | 98.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 120.4 | 178 | 174.9 | 61.2 | 0 | 0 | 0 | 108.8 | T180 Q181 E217 I218 V295 I297 L305 L307 | T180-L197 CarbonylContact C-O 3.5Å; T180-L197 WeakPolarHBondContact CA-O 2.92Å; Q181-L197 PolarHBondContact N-O 3.33Å; Q181-L197 PolarHBondContact O-N 2.98Å; L197-E217 WeakPolarHBondContact CA-O 3.49Å; L197-I218 HydrophobicContact CD1-CD1 4.47Å; L197-I218 HydrophobicContact CD1-CG1 3.63Å; L197-V295 HydrophobicContact CD1-CG1 3.91Å; L197-V295 HydrophobicContact CD2-CB 4.4Å; L197-V295 HydrophobicContact CD2-CG1 4.11Å; L197-V295 WeakPolarHBondContact CD2-O 3.36Å; L197-I297 HydrophobicContact CB-CD1 3.91Å; L197-I297 HydrophobicContact CD1-CD1 4.27Å; L197-I297 HydrophobicContact CD2-CD1 4.34Å; L197-I297 HydrophobicContact CD2-CG1 4.31Å; L197-I297 HydrophobicContact CG-CD1 4.39Å; L197-L305 HydrophobicContact CB-CD2 3.82Å; L197-L305 HydrophobicContact CB-CG 4.32Å; L197-L307 HydrophobicContact CB-CD1 4.49Å; L197-L307 HydrophobicContact CD2-CB 4.41Å; L197-L307 HydrophobicContact CD2-CD1 3.99Å; L197-L307 HydrophobicContact CD2-CG 3.98Å; L197-L307 HydrophobicContact CG-CD1 3.78Å; L197-L307 HydrophobicContact CG-CG 4.28Å |
| 198 | S | 98.2 | Very high | 88.7 | Confident | 19 Ų | 19 | 55.4 Ų | 55.4 | 13% | 0.133 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 137.3 | 163.6 | -165.6 | 0 | 0 | 0 | 0 | 109.5 | L178 K179 T180 A216 E217 | L178-S198 WeakPolarHBondContact CD1-OG 3.11Å; K179-S198 WeakPolarHBondContact O-CA 3.41Å; T180-S198 PolarHBondContact OG1-OG 2.95Å; S198-A216 CarbonylContact O-C 3.59Å; S198-A216 WeakPolarHBondContact O-CA 3.41Å; S198-A216 WeakPolarHBondContact O-CB 3.16Å; S198-E217 PolarHBondContact N-O 2.81Å; S198-E217 PolarHBondContact O-N 2.95Å |
| 199 | A | 98.3 | Very high | 90.4 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.008 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 133.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L178 K179 Y215 V295 L307 L309 | L178-A199 WeakPolarHBondContact CA-O 3.36Å; K179-A199 PolarHBondContact N-O 3.31Å; K179-A199 PolarHBondContact O-N 2.92Å; A199-Y215 CarbonylContact C-O 3.57Å; A199-Y215 WeakPolarHBondContact CA-O 3.49Å; A199-V295 HydrophobicContact CB-CB 3.99Å; A199-V295 HydrophobicContact CB-CG1 4.34Å; A199-V295 HydrophobicContact CB-CG2 3.84Å; A199-L307 HydrophobicContact CB-CD1 3.92Å; A199-L309 HydrophobicContact CB-CD1 4.07Å |
| 200 | K | 97.9 | Very high | 92 | Very high | 95 Ų | 95 | 40.6 Ų | 40.6 | 41% | 0.413 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 141.3 | -177.8 | -179.6 | -176.7 | 174 | -172 | 0 | 111.7 | V177 L178 Y215 | V177-K200 CarbonylContact O-C 3.45Å; V177-K200 VanDerWaalsContact O-CA 3.23Å; V177-K200 WeakPolarHBondContact O-CA 3.31Å; L178-K200 HydrophobicContact CB-CB 4.48Å; L178-K200 HydrophobicContact CB-CG 4.46Å; L178-K200 HydrophobicContact CD1-CB 3.82Å; K200-Y215 PolarHBondContact N-O 2.58Å; K200-Y215 PolarHBondContact O-N 2.84Å |
| 201 | I | 97.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 149.5 | 164.8 | 56.3 | 178.9 | 0 | 0 | 0 | 109.2 | P176 V177 R203 I212 L293 L309 L311 | P176-I201 CarbonylContact C-O 3.37Å; P176-I201 VanDerWaalsContact CA-O 3.3Å; P176-I201 WeakPolarHBondContact CA-O 3.39Å; P176-I201 WeakPolarHBondContact CB-O 3.44Å; V177-I201 HydrophobicContact CB-CD1 4.24Å; V177-I201 HydrophobicContact CB-CG1 3.82Å; V177-I201 HydrophobicContact CG2-CD1 4.32Å; V177-I201 HydrophobicContact CG2-CG1 4.23Å; V177-I201 PolarHBondContact N-O 2.81Å; V177-I201 PolarHBondContact O-N 3.47Å; I201-R203 VanDerWaalsContact CD1-O 3.3Å; I201-R203 WeakPolarHBondContact CD1-O 3.38Å; I201-R203 WeakPolarHBondContact CG1-O 3.45Å; I201-I212 HydrophobicContact CG2-CG2 3.92Å; I201-L293 HydrophobicContact CG2-CD2 3.54Å; I201-L309 HydrophobicContact CD1-CB 4.08Å; I201-L309 HydrophobicContact CG1-CD1 4.37Å; I201-L309 HydrophobicContact CG2-CD1 4.19Å; I201-L311 HydrophobicContact CD1-CD2 3.55Å |
| 202 | E | 95.1 | Very high | 95 | Very high | 79 Ų | 79 | 28.1 Ų | 28.1 | 37% | 0.369 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -75.2 | -29.3 | -174 | -69.8 | 171.2 | -176.7 | 0 | 0 | 113.5 | P176 Y215 | P176-E202 WeakPolarHBondContact CA-O 3.44Å; P176-E202 WeakPolarHBondContact CB-O 3.32Å; E202-Y215 HydrophobicContact CG-CE2 3.88Å; E202-Y215 VanDerWaalsContact OE1-CE2 3.23Å; E202-Y215 WeakPolarHBondContact OE1-CE2 3.46Å; E202-Y215 VanDerWaalsContact OE1-CZ 3.31Å; E202-Y215 PolarHBondContact OE1-OH 2.84Å |
| 203 | R | 95.3 | Very high | 95.9 | Very high | 30 Ų | 30 | 28.4 Ų | 28.4 | 11% | 0.113 | 17% | 0.166 | C | C | . | . | trans | -145.8 | 165.7 | 177.7 | 63.3 | 179.1 | 173.3 | -80.6 | -3.5 | 110.9 | L173 I201 G205 Y206 E210 | L173-R203 WeakPolarHBondContact O-CB 3.27Å; I201-R203 VanDerWaalsContact CD1-O 3.3Å; I201-R203 WeakPolarHBondContact CD1-O 3.38Å; I201-R203 WeakPolarHBondContact CG1-O 3.45Å; R203-G205 WeakPolarHBondContact CD-O 3.1Å; R203-G205 WeakPolarHBondContact CG-O 3.47Å; R203-G205 PolarHBondContact NE-O 2.76Å; R203-Y206 HydrophobicContact CG-CE1 3.85Å; R203-Y206 HydrophobicContact CG-CE2 4.05Å; R203-Y206 WeakPolarHBondContact CG-OH 3.41Å; R203-Y206 WeakPolarHBondContact O-CE2 3.4Å; R203-Y206 PolarHBondContact O-OH 3.02Å; R203-E210 IonicContact CZ-OE1 3.58Å; R203-E210 IonicContact NE-OE1 2.84Å; R203-E210 IonicContact NH2-OE1 3.39Å; R203-E210 PolarHBondContact NH2-OE1 3.43Å | ||
| 204 | K | 95.6 | Very high | 96.4 | Very high | 64 Ų | 64 | 27.3 Ų | 27.3 | 28% | 0.278 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -94.5 | -31.3 | 175.9 | 175 | 174.3 | 172.7 | -174.1 | 0 | 112.6 | L173 V177 P310 L311 V312 | L173-K204 HydrophobicContact CD2-CB 4.49Å; L173-K204 HydrophobicContact CD2-CD 4.01Å; L173-K204 HydrophobicContact CD2-CG 4.06Å; L173-K204 PolarHBondContact O-N 2.9Å; V177-K204 HydrophobicContact CG2-CB 4.35Å; K204-P310 HydrophobicContact CD-CB 4.5Å; K204-P310 HydrophobicContact CD-CG 4.49Å; K204-L311 CarbonylContact O-C 3.59Å; K204-L311 WeakPolarHBondContact O-CA 3.18Å; K204-V312 HydrophobicContact CG-CG2 4.33Å; K204-V312 PolarHBondContact O-N 3.13Å |
| 205 | G | 96.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 130.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L173 R203 V312 | L173-G205 PolarHBondContact O-N 2.94Å; R203-G205 WeakPolarHBondContact CD-O 3.1Å; R203-G205 WeakPolarHBondContact CG-O 3.47Å; R203-G205 PolarHBondContact NE-O 2.76Å; G205-V312 WeakPolarHBondContact CA-O 3.45Å |
| 206 | Y | 96.6 | Very high | 96.7 | Very high | 1 Ų | 1 | 30 Ų | 30 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 163.8 | 174.8 | -61.8 | -90.3 | 0 | 0 | 0 | 110.7 | R203 E210 I212 I274 L311 V312 I313 G314 | R203-Y206 HydrophobicContact CG-CE1 3.85Å; R203-Y206 HydrophobicContact CG-CE2 4.05Å; R203-Y206 WeakPolarHBondContact CG-OH 3.41Å; R203-Y206 WeakPolarHBondContact O-CE2 3.4Å; R203-Y206 PolarHBondContact O-OH 3.02Å; Y206-E210 VanDerWaalsContact CA-OE2 3.24Å; Y206-E210 WeakPolarHBondContact CA-OE2 3.16Å; Y206-E210 WeakPolarHBondContact CB-OE2 3.34Å; Y206-E210 HydrophobicContact CD1-CG 4.3Å; Y206-I212 HydrophobicContact CD1-CG1 3.89Å; Y206-I212 HydrophobicContact CD2-CD1 4.27Å; Y206-I212 HydrophobicContact CD2-CG1 4.15Å; Y206-I212 HydrophobicContact CE1-CB 4.28Å; Y206-I212 HydrophobicContact CE1-CG1 3.99Å; Y206-I212 HydrophobicContact CE1-CG2 4.12Å; Y206-I212 HydrophobicContact CE2-CD1 4.45Å; Y206-I212 HydrophobicContact CE2-CG1 4.25Å; Y206-I212 HydrophobicContact CE2-CG2 4.23Å; Y206-I212 HydrophobicContact CG-CD1 4.47Å; Y206-I212 HydrophobicContact CG-CG1 3.99Å; Y206-I274 HydrophobicContact CG-CD1 4.11Å; Y206-L311 HydrophobicContact CD2-CD2 3.94Å; Y206-L311 HydrophobicContact CE2-CD2 3.73Å; Y206-V312 PolarHBondContact N-O 3Å; Y206-I313 CarbonylContact O-C 3.54Å; Y206-I313 VanDerWaalsContact O-CA 3.24Å; Y206-I313 WeakPolarHBondContact O-CA 3.26Å; Y206-G314 PolarHBondContact O-N 2.9Å |
| 207 | C | 95.9 | Very high | 96.7 | Very high | 14 Ų | 14 | 35 Ų | 35 | 10% | 0.095 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 165 | 175.8 | -76.5 | 0 | 0 | 0 | 0 | 112.9 | G209 E210 I274 G314 I316 P317 | C207-G209 PolarHBondContact O-N 3.45Å; C207-E210 PolarHBondContact N-OE2 2.92Å; C207-E210 WeakPolarHBondContact O-CB 3.38Å; C207-E210 PolarHBondContact O-N 2.58Å; C207-I274 WeakPolarHBondContact O-CD1 3.38Å; C207-G314 PolarHBondContact SG-O 3.36Å; C207-I316 VanDerWaalsContact SG-C 3.58Å; C207-I316 PolarHBondContact SG-O 2.74Å; C207-P317 VanDerWaalsContact SG-CA 3.59Å |
| 208 | N | 94.8 | Very high | 96.7 | Very high | 65 Ų | 65 | 35.2 Ų | 35.2 | 35% | 0.348 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 137.7 | 173.6 | -77 | -40.4 | 0 | 0 | 0 | 111.5 | E210 P275 V277 | N208-E210 PolarHBondContact O-N 3.04Å; N208-P275 PolarHBondContact OD1-O 2.78Å; N208-V277 PolarHBondContact ND2-O 2.82Å; N208-V277 VanDerWaalsContact OD1-CG2 3.27Å; N208-V277 WeakPolarHBondContact OD1-CG2 3.38Å; N208-V277 PolarHBondContact OD1-N 2.86Å; N208-V277 PolarHBondContact OD1-O 3.17Å |
| 209 | G | 93.8 | Very high | 96.7 | Very high | 39 Ų | 39 | 38.4 Ų | 38.4 | 40% | 0.402 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | -16.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | C207 K273 I274 | C207-G209 PolarHBondContact O-N 3.45Å; G209-K273 VanDerWaalsContact O-CE 3.31Å; G209-K273 WeakPolarHBondContact O-CE 3.19Å; G209-I274 WeakPolarHBondContact CA-O 3.12Å; G209-I274 PolarHBondContact N-O 2.82Å |
| 210 | E | 94.9 | Very high | 96.6 | Very high | 47 Ų | 47 | 38.3 Ų | 38.3 | 22% | 0.22 | 20% | 0.197 | C | C | . | . | trans | -70.8 | 153.7 | 178.8 | -167.7 | 169.9 | -161.8 | 0 | 0 | 112.1 | R203 Y206 C207 N208 I274 | R203-E210 IonicContact CZ-OE1 3.58Å; R203-E210 IonicContact NE-OE1 2.84Å; R203-E210 IonicContact NH2-OE1 3.39Å; R203-E210 PolarHBondContact NH2-OE1 3.43Å; Y206-E210 VanDerWaalsContact CA-OE2 3.24Å; Y206-E210 WeakPolarHBondContact CA-OE2 3.16Å; Y206-E210 WeakPolarHBondContact CB-OE2 3.34Å; Y206-E210 HydrophobicContact CD1-CG 4.3Å; C207-E210 PolarHBondContact N-OE2 2.92Å; C207-E210 WeakPolarHBondContact O-CB 3.38Å; C207-E210 PolarHBondContact O-N 2.58Å; N208-E210 PolarHBondContact O-N 3.04Å; E210-I274 WeakPolarHBondContact O-CG1 3.49Å; E210-I274 PolarHBondContact O-N 3.44Å | ||
| 211 | A | 95.9 | Very high | 96.4 | Very high | 44 Ų | 44 | 36.3 Ų | 36.3 | 36% | 0.364 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 124.1 | 175 | 0 | 0 | 0 | 0 | 0 | 110.7 | P213 T271 | A211-P213 WeakPolarHBondContact O-CD 3.23Å; A211-T271 HydrophobicContact CB-CG2 4.45Å |
| 212 | I | 97.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 118.2 | 177.3 | -55.7 | 174.6 | 0 | 0 | 0 | 108.5 | I201 Y206 I214 I232 T271 L272 I274 L293 L311 | I201-I212 HydrophobicContact CG2-CG2 3.92Å; Y206-I212 HydrophobicContact CD1-CG1 3.89Å; Y206-I212 HydrophobicContact CD2-CD1 4.27Å; Y206-I212 HydrophobicContact CD2-CG1 4.15Å; Y206-I212 HydrophobicContact CE1-CB 4.28Å; Y206-I212 HydrophobicContact CE1-CG1 3.99Å; Y206-I212 HydrophobicContact CE1-CG2 4.12Å; Y206-I212 HydrophobicContact CE2-CD1 4.45Å; Y206-I212 HydrophobicContact CE2-CG1 4.25Å; Y206-I212 HydrophobicContact CE2-CG2 4.23Å; Y206-I212 HydrophobicContact CG-CD1 4.47Å; Y206-I212 HydrophobicContact CG-CG1 3.99Å; I212-I214 HydrophobicContact CG2-CG1 4.31Å; I212-I214 PolarHBondContact O-N 2.95Å; I212-I232 HydrophobicContact CD1-CD1 3.84Å; I212-I232 HydrophobicContact CD1-CG1 4.34Å; I212-T271 WeakPolarHBondContact O-CA 3.49Å; I212-L272 PolarHBondContact N-O 2.81Å; I212-L272 PolarHBondContact O-N 3.06Å; I212-I274 HydrophobicContact CD1-CD1 3.94Å; I212-I274 HydrophobicContact CD1-CG1 4.01Å; I212-I274 HydrophobicContact CG1-CD1 3.87Å; I212-I274 HydrophobicContact CG1-CG1 4.05Å; I212-L293 HydrophobicContact CG2-CD2 4.34Å; I212-L311 HydrophobicContact CD1-CD1 3.72Å; I212-L311 HydrophobicContact CD1-CD2 4.33Å |
| 213 | P | 97.1 | Very high | 96.1 | Very high | 23 Ų | 23 | 36.8 Ų | 36.8 | 15% | 0.149 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 118.6 | 170.6 | 30.7 | -31.7 | 0 | 0 | 0 | 109.7 | A211 Y215 | A211-P213 WeakPolarHBondContact O-CD 3.23Å; P213-Y215 HydrophobicContact CB-CE2 4.15Å |
| 214 | I | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 123.9 | -179.7 | -51.2 | 173.9 | 0 | 0 | 0 | 108.9 | I212 A230 W267 G269 K270 L272 L293 V295 | I212-I214 HydrophobicContact CG2-CG1 4.31Å; I212-I214 PolarHBondContact O-N 2.95Å; I214-A230 HydrophobicContact CD1-CB 3.63Å; I214-W267 HydrophobicContact CB-CE3 4.42Å; I214-W267 HydrophobicContact CG2-CE3 3.94Å; I214-W267 HydrophobicContact CG2-CZ3 4.31Å; I214-G269 CarbonylContact O-C 3.6Å; I214-G269 WeakPolarHBondContact O-CA 3.21Å; I214-G269 PolarHBondContact O-N 2.8Å; I214-K270 VanDerWaalsContact CB-O 3.31Å; I214-K270 WeakPolarHBondContact CB-O 3.34Å; I214-K270 WeakPolarHBondContact CG1-O 3.48Å; I214-K270 PolarHBondContact N-O 2.79Å; I214-K270 PolarHBondContact O-N 2.94Å; I214-L272 HydrophobicContact CD1-CB 3.92Å; I214-L272 HydrophobicContact CD1-CD2 4.3Å; I214-L293 HydrophobicContact CD1-CD1 3.89Å; I214-L293 HydrophobicContact CD1-CD2 3.95Å; I214-L293 HydrophobicContact CD1-CG 4.5Å; I214-L293 HydrophobicContact CG1-CD2 3.85Å; I214-L293 HydrophobicContact CG2-CD2 4.42Å; I214-V295 HydrophobicContact CG2-CG2 4.12Å |
| 215 | Y | 98.2 | Very high | 96 | Very high | 79 Ų | 79 | 39.2 Ų | 39.2 | 31% | 0.31 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 124.6 | 171 | -57.6 | -89.2 | 0 | 0 | 0 | 108.8 | A199 K200 E202 P213 W267 | A199-Y215 CarbonylContact C-O 3.57Å; A199-Y215 WeakPolarHBondContact CA-O 3.49Å; K200-Y215 PolarHBondContact N-O 2.58Å; K200-Y215 PolarHBondContact O-N 2.84Å; E202-Y215 HydrophobicContact CG-CE2 3.88Å; E202-Y215 VanDerWaalsContact OE1-CE2 3.23Å; E202-Y215 WeakPolarHBondContact OE1-CE2 3.46Å; E202-Y215 VanDerWaalsContact OE1-CZ 3.31Å; E202-Y215 PolarHBondContact OE1-OH 2.84Å; P213-Y215 HydrophobicContact CB-CE2 4.15Å; Y215-W267 CarbonylContact C-O 3.5Å; Y215-W267 WeakPolarHBondContact CA-O 3.38Å |
| 216 | A | 98.1 | Very high | 96.1 | Very high | 5 Ų | 5 | 39.2 Ų | 39.2 | 4% | 0.041 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 142.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S198 I218 T266 W267 | S198-A216 CarbonylContact O-C 3.59Å; S198-A216 WeakPolarHBondContact O-CA 3.41Å; S198-A216 WeakPolarHBondContact O-CB 3.16Å; A216-I218 HydrophobicContact CB-CD1 4Å; A216-T266 CarbonylContact O-C 3.51Å; A216-T266 WeakPolarHBondContact O-CA 3.34Å; A216-W267 HydrophobicContact CB-CB 4.06Å; A216-W267 HydrophobicContact CB-CD2 4.24Å; A216-W267 HydrophobicContact CB-CE3 4.04Å; A216-W267 HydrophobicContact CB-CG 4.29Å; A216-W267 PolarHBondContact N-O 2.82Å; A216-W267 PolarHBondContact O-N 2.79Å |
| 217 | E | 98 | Very high | 96.1 | Very high | 131 Ų | 131 | 39.8 Ų | 39.8 | 61% | 0.612 | 22% | 0.224 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 122 | 173.1 | -64.1 | 176.1 | -178.1 | 0 | 0 | 107.4 | L197 S198 T266 | L197-E217 WeakPolarHBondContact CA-O 3.49Å; S198-E217 PolarHBondContact N-O 2.81Å; S198-E217 PolarHBondContact O-N 2.95Å; E217-T266 HydrophobicContact CG-CG2 4.32Å |
| 218 | I | 98.1 | Very high | 96.2 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.015 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 126.8 | -178.2 | -56 | 100.7 | 0 | 0 | 0 | 108.8 | L197 A216 I226 P228 I259 T264 D265 I297 | L197-I218 HydrophobicContact CD1-CD1 4.47Å; L197-I218 HydrophobicContact CD1-CG1 3.63Å; A216-I218 HydrophobicContact CB-CD1 4Å; I218-I226 HydrophobicContact CG2-CD1 3.93Å; I218-P228 HydrophobicContact CD1-CB 4.4Å; I218-P228 HydrophobicContact CG1-CB 4.41Å; I218-I259 HydrophobicContact CB-CD1 3.85Å; I218-I259 HydrophobicContact CG2-CD1 3.45Å; I218-I259 VanDerWaalsContact CG2-CD1 3.45Å; I218-T264 CarbonylContact O-C 3.53Å; I218-T264 WeakPolarHBondContact O-CA 3.41Å; I218-T264 WeakPolarHBondContact O-CB 3.05Å; I218-D265 HydrophobicContact CB-CB 4.5Å; I218-D265 HydrophobicContact CD1-CB 4.47Å; I218-D265 PolarHBondContact N-O 2.83Å; I218-D265 PolarHBondContact O-N 2.85Å; I218-I297 HydrophobicContact CG1-CD1 4.39Å; I218-I297 HydrophobicContact CG2-CD1 3.48Å; I218-I297 VanDerWaalsContact CG2-CD1 3.48Å; I218-I297 HydrophobicContact CG2-CG1 4.4Å |
| 219 | E | 97.6 | Very high | 96.4 | Very high | 86 Ų | 86 | 39 Ų | 39 | 40% | 0.402 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 127.1 | 175.5 | -174.5 | 178.1 | -163.8 | 0 | 0 | 109.9 | V195 S196 T264 | V195-E219 CarbonylContact C-O 3.49Å; V195-E219 WeakPolarHBondContact CA-O 3.2Å; S196-E219 PolarHBondContact N-O 3.26Å; S196-E219 PolarHBondContact O-N 2.83Å; S196-E219 VanDerWaalsContact O-N 3.08Å; S196-E219 VanDerWaalsContact OG-CB 3.24Å; S196-E219 WeakPolarHBondContact OG-CB 3.47Å; S196-E219 PolarHBondContact OG-OE2 3.23Å; E219-T264 HydrophobicContact CB-CG2 4.04Å; E219-T264 HydrophobicContact CG-CG2 3.83Å |
| 220 | N | 96.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 84.6 | 179.2 | -173.9 | 20.6 | 0 | 0 | 0 | 111 | S222 R224 I226 I259 A260 G262 S263 | N220-S222 PolarHBondContact O-N 2.79Å; N220-S222 WeakPolarHBondContact OD1-CB 3.21Å; N220-S222 PolarHBondContact OD1-N 3.2Å; N220-S222 PolarHBondContact OD1-O 2.86Å; N220-S222 PolarHBondContact OD1-OG 3.43Å; N220-R224 PolarHBondContact ND2-O 3.27Å; N220-I226 HydrophobicContact CB-CD1 3.63Å; N220-I226 HydrophobicContact CB-CG1 4.12Å; N220-I259 HydrophobicContact CB-CG2 3.93Å; N220-I259 PolarHBondContact ND2-O 2.81Å; N220-A260 VanDerWaalsContact ND2-C 3.32Å; N220-A260 PolarHBondContact ND2-O 2.86Å; N220-G262 WeakPolarHBondContact O-CA 3.45Å; N220-G262 PolarHBondContact O-N 2.86Å; N220-S263 WeakPolarHBondContact CB-O 3.39Å; N220-S263 PolarHBondContact N-O 2.68Å |
| 221 | C | 94.6 | Very high | 96.7 | Very high | 53 Ų | 53 | 35 Ų | 35 | 36% | 0.358 | 19% | 0.186 | S | C | . | . | trans | -82.7 | 5.3 | 169.8 | -63.2 | 0 | 0 | 0 | 0 | 112.3 | G193 P194 | G193-C221 CarbonylContact C-O 3.47Å; G193-C221 WeakPolarHBondContact CA-O 3.15Å; G193-C221 PolarHBondContact N-O 3.34Å; P194-C221 HydrophobicContact CG-CB 4.11Å; P194-C221 CarbonylContact O-C 3.41Å; P194-C221 VanDerWaalsContact O-CA 3.27Å; P194-C221 WeakPolarHBondContact O-CA 3.22Å; P194-C221 VanDerWaalsContact O-CB 3.23Å; P194-C221 WeakPolarHBondContact O-CB 3.41Å; P194-C221 PolarHBondContact O-N 2.8Å | ||
| 222 | S | 93.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.007 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -83.9 | 160.3 | 176.5 | 88 | 0 | 0 | 0 | 0 | 112.2 | S192 G193 P194 N220 R224 S261 | S192-S222 WeakPolarHBondContact OG-CA 3.43Å; S192-S222 VanDerWaalsContact OG-CB 3.26Å; S192-S222 WeakPolarHBondContact OG-CB 3.35Å; G193-S222 WeakPolarHBondContact O-CA 3.25Å; G193-S222 WeakPolarHBondContact O-CB 3.3Å; P194-S222 PolarHBondContact O-N 3.28Å; N220-S222 PolarHBondContact O-N 2.79Å; N220-S222 WeakPolarHBondContact OD1-CB 3.21Å; N220-S222 PolarHBondContact OD1-N 3.2Å; N220-S222 PolarHBondContact OD1-O 2.86Å; N220-S222 PolarHBondContact OD1-OG 3.43Å; S222-R224 PolarHBondContact O-N 2.83Å; S222-R224 PolarHBondContact OG-N 2.9Å; S222-S261 WeakPolarHBondContact O-CA 3.5Å; S222-S261 VanDerWaalsContact O-CB 3.28Å; S222-S261 WeakPolarHBondContact O-CB 3.45Å; S222-S261 PolarHBondContact O-OG 2.83Å |
| 223 | S | 92.4 | Very high | 96.9 | Very high | 87 Ų | 87 | 33.9 Ų | 33.9 | 61% | 0.608 | 17% | 0.173 | S | C | * | . | S | Bend | trans | -76.1 | 4.5 | 175.3 | 61.1 | 0 | 0 | 0 | 0 | 114.5 | S192 | S192-S223 PolarHBondContact OG-N 3.44Š|
| 224 | R | 92.8 | Very high | 96.9 | Very high | 50 Ų | 50 | 33.6 Ų | 33.6 | 19% | 0.189 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -106.9 | 149 | -169.4 | -55.4 | -172.7 | -176.9 | 177.1 | 3.2 | 111.5 | V185 N220 S222 I226 P300 G301 | V185-R224 HydrophobicContact CG1-CG 4.4Å; N220-R224 PolarHBondContact ND2-O 3.27Å; S222-R224 PolarHBondContact O-N 2.83Å; S222-R224 PolarHBondContact OG-N 2.9Å; R224-I226 PolarHBondContact O-N 3.42Å; R224-P300 WeakPolarHBondContact CD-O 3.28Å; R224-P300 PolarHBondContact NH1-O 2.8Å; R224-G301 PolarHBondContact NH1-O 2.86Å |
| 225 | L | 95.6 | Very high | 96.9 | Very high | 96 Ų | 96 | 35 Ų | 35 | 50% | 0.503 | 18% | 0.179 | S | C | . | . | trans | -77 | 111.6 | 167.8 | -172 | 71.4 | 0 | 0 | 0 | 109.2 | H258 A260 P300 | L225-H258 HydrophobicContact CD1-CB 3.89Å; L225-H258 HydrophobicContact CD2-CB 4.23Å; L225-H258 HydrophobicContact CG-CB 4.06Å; L225-A260 HydrophobicContact CD1-CB 4.41Å; L225-P300 VanDerWaalsContact O-CD 3.26Å; L225-P300 WeakPolarHBondContact O-CD 3.34Å; L225-P300 WeakPolarHBondContact O-CG 3.26Å | ||
| 226 | I | 96.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.167 | C | C | . | . | B | Isolated β-bridge | trans | -101.9 | 160 | -176.1 | 67.8 | 168.8 | 0 | 0 | 0 | 111.9 | V195 I218 N220 R224 H258 I259 I297 I299 | V195-I226 HydrophobicContact CG1-CD1 3.86Å; V195-I226 HydrophobicContact CG2-CG2 4.39Å; I218-I226 HydrophobicContact CG2-CD1 3.93Å; N220-I226 HydrophobicContact CB-CD1 3.63Å; N220-I226 HydrophobicContact CB-CG1 4.12Å; R224-I226 PolarHBondContact O-N 3.42Å; I226-H258 WeakPolarHBondContact O-CA 3.44Å; I226-I259 HydrophobicContact CD1-CB 4.19Å; I226-I259 HydrophobicContact CD1-CD1 4.09Å; I226-I259 HydrophobicContact CG1-CB 3.71Å; I226-I259 HydrophobicContact CG1-CD1 4.28Å; I226-I259 HydrophobicContact CG1-CG1 4.35Å; I226-I259 PolarHBondContact N-O 2.85Å; I226-I259 PolarHBondContact O-N 2.91Å; I226-I297 HydrophobicContact CB-CG2 3.66Å; I226-I297 HydrophobicContact CD1-CD1 4.34Å; I226-I297 HydrophobicContact CD1-CG2 3.66Å; I226-I297 HydrophobicContact CG1-CG2 4.07Å; I226-I297 HydrophobicContact CG2-CG2 4.26Å; I226-I299 HydrophobicContact CG2-CG1 4.09Å; I226-I299 HydrophobicContact CG2-CG2 4.33Å |
| 227 | V | 97.8 | Very high | 96.8 | Very high | 12 Ų | 12 | 32.8 Ų | 32.8 | 7% | 0.073 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 110 | 176.8 | -175.2 | 0 | 0 | 0 | 0 | 110.8 | K229 R255 H258 H298 | V227-K229 HydrophobicContact CG1-CG 4.38Å; V227-R255 HydrophobicContact CG1-CG 4.02Å; V227-H258 WeakPolarHBondContact CG2-CD2 3.18Å; V227-H298 HydrophobicContact CB-CB 4.44Å; V227-H298 PolarHBondContact N-O 2.84Å; V227-H298 VanDerWaalsContact N-O 3.07Å; V227-H298 PolarHBondContact O-N 3.11Å |
| 228 | P | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 142.8 | 171.7 | 34.1 | -36.1 | 0 | 0 | 0 | 111.1 | I218 G256 N257 I259 W267 I297 | I218-P228 HydrophobicContact CD1-CB 4.4Å; I218-P228 HydrophobicContact CG1-CB 4.41Å; P228-G256 PolarHBondContact O-N 3.38Å; P228-N257 WeakPolarHBondContact CD-O 3.33Å; P228-I259 HydrophobicContact CG-CD1 3.89Å; P228-I259 HydrophobicContact CG-CG1 4.4Å; P228-W267 HydrophobicContact CB-CH2 4.26Å; P228-W267 HydrophobicContact CB-CZ2 3.67Å; P228-W267 HydrophobicContact CG-CZ2 3.84Å; P228-I297 HydrophobicContact CB-CG1 4.36Å |
| 229 | K | 98 | Very high | 96.6 | Very high | 64 Ų | 64 | 29.8 Ų | 29.8 | 28% | 0.278 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 151.6 | 177.5 | -62.8 | -175.4 | -177.8 | -178.7 | 0 | 109.2 | V227 V254 R255 Y296 | V227-K229 HydrophobicContact CG1-CG 4.38Å; K229-V254 WeakPolarHBondContact CA-O 3.3Å; K229-R255 HydrophobicContact CG-CG 4.34Å; K229-Y296 HydrophobicContact CB-CD1 4.46Å; K229-Y296 HydrophobicContact CB-CD2 4.3Å; K229-Y296 HydrophobicContact CB-CE1 3.96Å; K229-Y296 HydrophobicContact CB-CE2 3.8Å; K229-Y296 HydrophobicContact CD-CE2 3.85Å; K229-Y296 HydrophobicContact CG-CE2 4.3Å; K229-Y296 PolarHBondContact N-O 2.94Å; K229-Y296 PolarHBondContact O-N 2.94Å; K229-Y296 VanDerWaalsContact O-O 3.11Å |
| 230 | A | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 145.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | I214 N253 V254 W267 L272 L293 A294 V295 | I214-A230 HydrophobicContact CD1-CB 3.63Å; A230-N253 CarbonylContact O-C 3.54Å; A230-N253 WeakPolarHBondContact O-CA 3.23Å; A230-N253 WeakPolarHBondContact O-CB 3.46Å; A230-V254 HydrophobicContact CB-CG1 3.82Å; A230-V254 PolarHBondContact N-O 3.04Å; A230-V254 PolarHBondContact O-N 3Å; A230-W267 HydrophobicContact CB-CH2 4.14Å; A230-W267 HydrophobicContact CB-CZ3 3.75Å; A230-L272 HydrophobicContact CB-CD2 4.46Å; A230-L293 HydrophobicContact CB-CD1 4.3Å; A230-A294 CarbonylContact C-O 3.51Å; A230-A294 WeakPolarHBondContact CA-O 3.23Å; A230-V295 HydrophobicContact CB-CG2 4.29Å |
| 231 | A | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 141.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F233 M250 A252 N253 A294 Y296 | A231-F233 HydrophobicContact CB-CD2 4.25Å; A231-F233 HydrophobicContact CB-CE2 3.78Å; A231-F233 HydrophobicContact CB-CZ 4.24Å; A231-M250 HydrophobicContact CB-CE 4.1Å; A231-M250 HydrophobicContact CB-CG 4.1Å; A231-M250 HydrophobicContact CB-SD 4.17Å; A231-A252 CarbonylContact C-O 3.53Å; A231-A252 WeakPolarHBondContact CA-O 3.29Å; A231-A252 WeakPolarHBondContact CB-O 3.42Å; A231-N253 HydrophobicContact CB-CB 3.86Å; A231-A294 PolarHBondContact N-O 2.89Å; A231-A294 PolarHBondContact O-N 2.98Å; A231-Y296 HydrophobicContact CB-CE1 4.09Å |
| 232 | I | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 128.2 | 168.5 | -58.4 | 173.8 | 0 | 0 | 0 | 107.4 | I212 V251 A252 L272 I274 Y291 S292 L293 L311 | I212-I232 HydrophobicContact CD1-CD1 3.84Å; I212-I232 HydrophobicContact CD1-CG1 4.34Å; I232-V251 HydrophobicContact CB-CB 4.28Å; I232-V251 HydrophobicContact CG2-CB 4.16Å; I232-V251 PolarHBondContact O-N 3.45Å; I232-A252 HydrophobicContact CD1-CB 4.34Å; I232-A252 PolarHBondContact N-O 2.82Å; I232-L272 HydrophobicContact CD1-CD2 4.19Å; I232-L272 HydrophobicContact CD1-CG 4.14Å; I232-L272 HydrophobicContact CG1-CD2 3.72Å; I232-L272 HydrophobicContact CG1-CG 4.23Å; I232-I274 HydrophobicContact CD1-CG1 3.78Å; I232-Y291 HydrophobicContact CG2-CD1 4.11Å; I232-S292 WeakPolarHBondContact CA-O 3.38Å; I232-L293 HydrophobicContact CG1-CD1 4.37Å; I232-L311 HydrophobicContact CG2-CD1 4.4Å |
| 233 | F | 98.1 | Very high | 95.5 | Very high | 21 Ų | 21 | 36.4 Ų | 36.4 | 9% | 0.092 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 130.3 | 173.5 | -72.3 | -82.8 | 0 | 0 | 0 | 110.5 | A231 R248 H249 M250 Y291 S292 A294 M306 | A231-F233 HydrophobicContact CB-CD2 4.25Å; A231-F233 HydrophobicContact CB-CE2 3.78Å; A231-F233 HydrophobicContact CB-CZ 4.24Å; F233-R248 HydrophobicContact CB-CG 4.14Å; F233-R248 HydrophobicContact CD1-CG 3.88Å; F233-R248 HydrophobicContact CG-CG 4.35Å; F233-R248 VanDerWaalsContact CG-NH2 3.29Å; F233-H249 CarbonylContact C-O 3.49Å; F233-H249 VanDerWaalsContact CA-O 3.25Å; F233-H249 WeakPolarHBondContact CA-O 3.3Å; F233-M250 HydrophobicContact CD1-CB 4.02Å; F233-M250 HydrophobicContact CE1-CB 3.74Å; F233-M250 HydrophobicContact CE1-CE 3.77Å; F233-M250 HydrophobicContact CE1-CG 4.13Å; F233-M250 HydrophobicContact CE2-CE 4.44Å; F233-M250 HydrophobicContact CZ-CE 3.5Å; F233-M250 HydrophobicContact CZ-CG 4.46Å; F233-Y291 CarbonylContact O-C 3.53Å; F233-Y291 WeakPolarHBondContact O-CA 3.4Å; F233-S292 PolarHBondContact N-O 2.81Å; F233-S292 PolarHBondContact O-N 2.86Å; F233-A294 HydrophobicContact CD2-CB 3.63Å; F233-A294 HydrophobicContact CE2-CB 3.57Å; F233-M306 HydrophobicContact CE2-CE 4.12Å |
| 234 | Q | 98.1 | Very high | 95.6 | Very high | 18 Ų | 18 | 36.3 Ų | 36.3 | 8% | 0.084 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 126.6 | 166.2 | -173 | -170.5 | 54.3 | 0 | 0 | 108.5 | Q236 R248 H249 V251 V289 D290 Y291 | Q234-Q236 HydrophobicContact CG-CG 4.32Å; Q234-R248 CarbonylContact O-C 3.54Å; Q234-R248 WeakPolarHBondContact O-CA 3.3Å; Q234-H249 PolarHBondContact N-O 3.26Å; Q234-H249 PolarHBondContact O-N 3.32Å; Q234-V251 HydrophobicContact CB-CG2 3.68Å; Q234-V289 HydrophobicContact CG-CG1 3.74Å; Q234-D290 CarbonylContact C-O 3.57Å; Q234-D290 WeakPolarHBondContact CA-O 3.05Å; Q234-Y291 HydrophobicContact CB-CD1 3.89Å; Q234-Y291 HydrophobicContact CB-CE1 3.51Å; Q234-Y291 HydrophobicContact CG-CD1 4.17Å; Q234-Y291 HydrophobicContact CG-CE1 3.55Å; Q234-Y291 HydrophobicContact CG-CE2 4.43Å; Q234-Y291 PolarHBondContact NE2-OH 2.91Å |
| 235 | T | 97.7 | Very high | 95.7 | Very high | 30 Ų | 30 | 38.5 Ų | 38.5 | 18% | 0.184 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 113.9 | 175.9 | -59.9 | 0 | 0 | 0 | 0 | 108.5 | T246 I247 D290 | T235-T246 HydrophobicContact CG2-CG2 3.33Å; T235-I247 CarbonylContact C-O 3.57Å; T235-I247 WeakPolarHBondContact CA-O 3.2Å; T235-D290 PolarHBondContact N-O 2.92Å; T235-D290 PolarHBondContact O-N 2.93Å |
| 236 | Q | 97.5 | Very high | 95.8 | Very high | 14 Ų | 14 | 37.9 Ų | 37.9 | 7% | 0.065 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 118.8 | 177.1 | -57.1 | 172.6 | 4.6 | 0 | 0 | 108.3 | F131 Q234 Y238 T246 I247 R288 | F131-Q236 HydrophobicContact CZ-CG 4.07Å; Q234-Q236 HydrophobicContact CG-CG 4.32Å; Q236-Y238 HydrophobicContact CB-CE2 3.68Å; Q236-Y238 PolarHBondContact OE1-OH 3.21Å; Q236-T246 CarbonylContact O-C 3.59Å; Q236-T246 VanDerWaalsContact O-CA 3.3Å; Q236-T246 WeakPolarHBondContact O-CA 3.32Å; Q236-I247 PolarHBondContact N-O 3.04Å; Q236-I247 PolarHBondContact O-N 2.84Å; Q236-R288 CarbonylContact C-O 3.44Å; Q236-R288 WeakPolarHBondContact CA-O 3.42Å |
| 237 | T | 97.1 | Very high | 95.7 | Very high | 23 Ų | 23 | 39.2 Ų | 39.2 | 14% | 0.141 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 127.6 | -179.9 | -56.3 | 0 | 0 | 0 | 0 | 109.2 | L239 T244 I287 R288 | T237-L239 HydrophobicContact CG2-CD1 3.86Å; T237-T244 HydrophobicContact CG2-CG2 3.44Å; T237-T244 VanDerWaalsContact CG2-CG2 3.44Å; T237-I287 CarbonylContact O-C 3.49Å; T237-I287 WeakPolarHBondContact O-CA 3.24Å; T237-R288 PolarHBondContact N-O 2.94Å; T237-R288 PolarHBondContact O-N 2.95Å |
| 238 | Y | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 128.6 | -179.9 | -53.3 | -95.8 | 0 | 0 | 0 | 108.4 | W67 F131 G133 K134 Y135 Q236 T244 K245 I247 I286 I287 | W67-Y238 WeakPolarHBondContact CH2-O 3.38Å; F131-Y238 HydrophobicContact CE1-CE1 4.26Å; G133-Y238 VanDerWaalsContact CA-OH 3.27Å; G133-Y238 WeakPolarHBondContact CA-OH 3.29Å; K134-Y238 PolarHBondContact N-OH 2.96Å; Y135-Y238 HydrophobicContact CD2-CD2 4.06Å; Y135-Y238 HydrophobicContact CD2-CE2 4.21Å; Q236-Y238 HydrophobicContact CB-CE2 3.68Å; Q236-Y238 PolarHBondContact OE1-OH 3.21Å; Y238-T244 CarbonylContact O-C 3.55Å; Y238-T244 WeakPolarHBondContact O-CA 3.45Å; Y238-K245 PolarHBondContact N-O 2.67Å; Y238-K245 PolarHBondContact O-N 3.26Å; Y238-I247 HydrophobicContact CE2-CD1 4.17Å; Y238-I247 HydrophobicContact CE2-CG1 4.37Å; Y238-I286 CarbonylContact C-O 3.55Å; Y238-I286 WeakPolarHBondContact CA-O 3.39Å; Y238-I287 HydrophobicContact CD1-CD1 4.43Å; Y238-I287 HydrophobicContact CD1-CG1 3.95Å; Y238-I287 HydrophobicContact CD1-CG2 4.48Å; Y238-I287 HydrophobicContact CE1-CG1 4.41Å; Y238-I287 HydrophobicContact CE1-CG2 4.36Å |
| 239 | L | 94.9 | Very high | 95.6 | Very high | 70 Ų | 70 | 47.1 Ų | 47.1 | 37% | 0.366 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 122.9 | 178.4 | -65.3 | 80.8 | 0 | 0 | 0 | 107.9 | T237 K243 T244 I286 | T237-L239 HydrophobicContact CG2-CD1 3.86Å; L239-K243 WeakPolarHBondContact CA-O 3.39Å; L239-T244 HydrophobicContact CG-CG2 4.5Å; L239-I286 PolarHBondContact N-O 2.85Å; L239-I286 WeakPolarHBondContact O-CB 3.41Å |
| 240 | A | 93.9 | Very high | 95.6 | Very high | 2 Ų | 2 | 48.3 Ų | 48.3 | 2% | 0.017 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 132.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | A65 W67 V84 S86 G242 K243 | A65-A240 HydrophobicContact CB-CB 4.15Å; W67-A240 HydrophobicContact CE3-CB 4.34Å; W67-A240 HydrophobicContact CH2-CB 3.42Å; W67-A240 VanDerWaalsContact CH2-CB 3.42Å; W67-A240 VanDerWaalsContact CH2-N 3.35Å; W67-A240 HydrophobicContact CZ2-CB 4.01Å; W67-A240 HydrophobicContact CZ3-CB 3.57Å; V84-A240 VanDerWaalsContact CG1-C 3.42Å; V84-A240 HydrophobicContact CG1-CB 3.5Å; V84-A240 VanDerWaalsContact CG1-CB 3.5Å; V84-A240 WeakPolarHBondContact CG1-O 3.07Å; S86-A240 WeakPolarHBondContact OG-CA 3.37Å; A240-G242 PolarHBondContact O-N 2.82Å; A240-G242 VanDerWaalsContact O-N 3.13Å; A240-K243 PolarHBondContact N-O 3.47Å; A240-K243 WeakPolarHBondContact O-CB 3.38Å; A240-K243 PolarHBondContact O-N 3.02Å |
| 241 | S | 88 | Confident | 95.5 | Very high | 77 Ų | 77 | 50 Ų | 50 | 54% | 0.538 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.2 | 43.1 | -179.4 | -34.6 | 0 | 0 | 0 | 0 | 113.6 | F85 S86 K243 | F85-S241 PolarHBondContact O-OG 3.13Å; S86-S241 PolarHBondContact OG-N 2.88Å; S241-K243 PolarHBondContact O-N 3.29Å |
| 242 | G | 86.8 | Confident | 95.5 | Very high | 87 Ų | 87 | 50.8 Ų | 50.8 | 90% | 0.897 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | 2.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | A240 | A240-G242 PolarHBondContact O-N 2.82Å; A240-G242 VanDerWaalsContact O-N 3.13Å |
| 243 | K | 91.1 | Very high | 95.4 | Very high | 114 Ų | 114 | 55.6 Ų | 55.6 | 50% | 0.496 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 144.4 | 175.8 | -64.1 | 173.7 | -176.8 | 171.3 | 0 | 109.9 | W67 V84 L239 A240 S241 | W67-K243 WeakPolarHBondContact CH2-O 3.3Å; W67-K243 HydrophobicContact CZ2-CB 4.06Å; W67-K243 WeakPolarHBondContact CZ2-O 3.3Å; V84-K243 HydrophobicContact CG2-CD 3.83Å; L239-K243 WeakPolarHBondContact CA-O 3.39Å; A240-K243 PolarHBondContact N-O 3.47Å; A240-K243 WeakPolarHBondContact O-CB 3.38Å; A240-K243 PolarHBondContact O-N 3.02Å; S241-K243 PolarHBondContact O-N 3.29Å |
| 244 | T | 94.5 | Very high | 95.4 | Very high | 84 Ų | 84 | 56.1 Ų | 56.1 | 52% | 0.515 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 133.3 | 179.2 | -54.2 | 0 | 0 | 0 | 0 | 110.8 | T237 Y238 L239 | T237-T244 HydrophobicContact CG2-CG2 3.44Å; T237-T244 VanDerWaalsContact CG2-CG2 3.44Å; Y238-T244 CarbonylContact O-C 3.55Å; Y238-T244 WeakPolarHBondContact O-CA 3.45Å; L239-T244 HydrophobicContact CG-CG2 4.5Å |
| 245 | K | 94.8 | Very high | 95.3 | Very high | 96 Ų | 96 | 61.8 Ų | 61.8 | 42% | 0.417 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 131.9 | 168.8 | -75.5 | -69.4 | -174.1 | -178.4 | 0 | 108.9 | W67 Y135 Y238 | W67-K245 HydrophobicContact CD2-CB 4.5Å; W67-K245 HydrophobicContact CD2-CG 3.81Å; W67-K245 VanDerWaalsContact CE2-CG 3.47Å; W67-K245 HydrophobicContact CE3-CG 4.37Å; W67-K245 HydrophobicContact CG-CG 4.2Å; W67-K245 HydrophobicContact CH2-CB 4.29Å; W67-K245 HydrophobicContact CH2-CG 4.22Å; W67-K245 HydrophobicContact CZ2-CB 4.26Å; W67-K245 HydrophobicContact CZ2-CG 3.7Å; W67-K245 HydrophobicContact CZ3-CB 4.5Å; Y135-K245 HydrophobicContact CD2-CB 4.08Å; Y135-K245 HydrophobicContact CE2-CB 4.41Å; Y238-K245 PolarHBondContact N-O 2.67Å; Y238-K245 PolarHBondContact O-N 3.26Å |
| 246 | T | 96.3 | Very high | 95.2 | Very high | 83 Ų | 83 | 60.6 Ų | 60.6 | 51% | 0.509 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 133.9 | 178.4 | -55.1 | 0 | 0 | 0 | 0 | 109.6 | T235 Q236 | T235-T246 HydrophobicContact CG2-CG2 3.33Å; Q236-T246 CarbonylContact O-C 3.59Å; Q236-T246 VanDerWaalsContact O-CA 3.3Å; Q236-T246 WeakPolarHBondContact O-CA 3.32Å |
| 247 | I | 96.4 | Very high | 95.1 | Very high | 29 Ų | 29 | 65.8 Ų | 65.8 | 15% | 0.149 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 139.3 | 171.7 | -49.5 | 176.7 | 0 | 0 | 0 | 108 | K134 Y135 T235 Q236 Y238 H249 | K134-I247 HydrophobicContact CB-CD1 3.52Å; K134-I247 HydrophobicContact CD-CD1 3.61Å; K134-I247 HydrophobicContact CG-CD1 4.13Å; Y135-I247 HydrophobicContact CD2-CD1 3.56Å; Y135-I247 HydrophobicContact CD2-CG1 3.96Å; Y135-I247 HydrophobicContact CE2-CD1 3.42Å; Y135-I247 VanDerWaalsContact CE2-CD1 3.42Å; Y135-I247 HydrophobicContact CE2-CG1 3.68Å; T235-I247 CarbonylContact C-O 3.57Å; T235-I247 WeakPolarHBondContact CA-O 3.2Å; Q236-I247 PolarHBondContact N-O 3.04Å; Q236-I247 PolarHBondContact O-N 2.84Å; Y238-I247 HydrophobicContact CE2-CD1 4.17Å; Y238-I247 HydrophobicContact CE2-CG1 4.37Å; I247-H249 WeakPolarHBondContact CG2-NE2 3.42Å |
| 248 | R | 96.8 | Very high | 95.1 | Very high | 98 Ų | 98 | 69.7 Ų | 69.7 | 37% | 0.37 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 126.7 | 178.5 | -172.6 | 178.8 | 173.8 | 168.9 | 7.5 | 110.2 | F233 Q234 E308 | F233-R248 HydrophobicContact CB-CG 4.14Å; F233-R248 HydrophobicContact CD1-CG 3.88Å; F233-R248 HydrophobicContact CG-CG 4.35Å; F233-R248 VanDerWaalsContact CG-NH2 3.29Å; Q234-R248 CarbonylContact O-C 3.54Å; Q234-R248 WeakPolarHBondContact O-CA 3.3Å; R248-E308 IonicContact CZ-OE1 3.38Å; R248-E308 IonicContact NH1-OE1 2.68Å; R248-E308 PolarHBondContact NH1-OE1 2.8Å; R248-E308 IonicContact NH2-OE1 3.83Å; R248-E308 PolarHBondContact NH2-OE1 3.22Å |
| 249 | H | 96 | Very high | 95.1 | Very high | 79 Ų | 79 | 70 Ų | 70 | 37% | 0.366 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 135.6 | 179 | -64.1 | -79.5 | 0 | 0 | 0 | 110.3 | F233 Q234 I247 | F233-H249 CarbonylContact C-O 3.49Å; F233-H249 VanDerWaalsContact CA-O 3.25Å; F233-H249 WeakPolarHBondContact CA-O 3.3Å; Q234-H249 PolarHBondContact N-O 3.26Å; Q234-H249 PolarHBondContact O-N 3.32Å; I247-H249 WeakPolarHBondContact CG2-NE2 3.42Å |
| 250 | M | 97.3 | Very high | 95.2 | Very high | 89 Ų | 89 | 68.9 Ų | 68.9 | 44% | 0.438 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 120.8 | 168.7 | -173.5 | -178.6 | -68.4 | 0 | 0 | 108.4 | A231 F233 N253 | A231-M250 HydrophobicContact CB-CE 4.1Å; A231-M250 HydrophobicContact CB-CG 4.1Å; A231-M250 HydrophobicContact CB-SD 4.17Å; F233-M250 HydrophobicContact CD1-CB 4.02Å; F233-M250 HydrophobicContact CE1-CB 3.74Å; F233-M250 HydrophobicContact CE1-CE 3.77Å; F233-M250 HydrophobicContact CE1-CG 4.13Å; F233-M250 HydrophobicContact CE2-CE 4.44Å; F233-M250 HydrophobicContact CZ-CE 3.5Å; F233-M250 HydrophobicContact CZ-CG 4.46Å; M250-N253 HydrophobicContact SD-CB 3.88Å |
| 251 | V | 97 | Very high | 95.3 | Very high | 36 Ų | 36 | 72.1 Ų | 72.1 | 22% | 0.218 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | -47.4 | -174.9 | 171.3 | 0 | 0 | 0 | 0 | 111 | I232 Q234 P275 V277 Y291 | I232-V251 HydrophobicContact CB-CB 4.28Å; I232-V251 HydrophobicContact CG2-CB 4.16Å; I232-V251 PolarHBondContact O-N 3.45Å; Q234-V251 HydrophobicContact CB-CG2 3.68Å; V251-P275 HydrophobicContact CG1-CG 3.38Å; V251-V277 HydrophobicContact CG1-CG1 3.58Å; V251-Y291 HydrophobicContact CG2-CE1 4.25Å |
| 252 | A | 97.4 | Very high | 95.6 | Very high | 16 Ų | 16 | 71.4 Ų | 71.4 | 13% | 0.132 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 154.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | A231 I232 L272 P275 | A231-A252 CarbonylContact C-O 3.53Å; A231-A252 WeakPolarHBondContact CA-O 3.29Å; A231-A252 WeakPolarHBondContact CB-O 3.42Å; I232-A252 HydrophobicContact CD1-CB 4.34Å; I232-A252 PolarHBondContact N-O 2.82Å; A252-L272 HydrophobicContact CB-CD1 3.99Å; A252-P275 HydrophobicContact CB-CG 4.49Å |
| 253 | N | 97.7 | Very high | 96.1 | Very high | 102 Ų | 102 | 69.6 Ų | 69.6 | 55% | 0.545 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 157.5 | 173.6 | 70.3 | 70.1 | 0 | 0 | 0 | 111.9 | A230 A231 M250 | A230-N253 CarbonylContact O-C 3.54Å; A230-N253 WeakPolarHBondContact O-CA 3.23Å; A230-N253 WeakPolarHBondContact O-CB 3.46Å; A231-N253 HydrophobicContact CB-CB 3.86Å; M250-N253 HydrophobicContact SD-CB 3.88Å |
| 254 | V | 96.8 | Very high | 96.4 | Very high | 32 Ų | 32 | 68.9 Ų | 68.9 | 19% | 0.194 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 145.5 | 171.4 | 65.4 | 0 | 0 | 0 | 0 | 109.2 | K229 A230 K270 L272 | K229-V254 WeakPolarHBondContact CA-O 3.3Å; A230-V254 HydrophobicContact CB-CG1 3.82Å; A230-V254 PolarHBondContact N-O 3.04Å; A230-V254 PolarHBondContact O-N 3Å; V254-K270 VanDerWaalsContact CG2-CE 3.48Å; V254-L272 HydrophobicContact CB-CD1 4.09Å; V254-L272 HydrophobicContact CG1-CB 4.37Å; V254-L272 HydrophobicContact CG1-CD1 4.21Å; V254-L272 HydrophobicContact CG1-CD2 4.4Å |
| 255 | R | 96.3 | Very high | 96.5 | Very high | 137 Ų | 137 | 66.7 Ų | 66.7 | 52% | 0.517 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 137.6 | 179.3 | -177.8 | 180 | 176.7 | -174.4 | 2.4 | 110 | V227 K229 H258 K270 | V227-R255 HydrophobicContact CG1-CG 4.02Å; K229-R255 HydrophobicContact CG-CG 4.34Å; R255-H258 PolarHBondContact NH2-CE1 3.3Å; R255-H258 PolarHBondContact NH2-NE2 2.89Å; R255-K270 PolarHBondContact O-NZ 2.76Å |
| 256 | G | 95.6 | Very high | 96.6 | Very high | 5 Ų | 5 | 65.7 Ų | 65.7 | 5% | 0.052 | 37% | 0.371 | C | S | . | . | trans | -91.6 | 177.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | P228 | P228-G256 PolarHBondContact O-N 3.38Š| ||
| 257 | N | 96 | Very high | 96.7 | Very high | 123 Ų | 123 | 62.2 Ų | 62.2 | 66% | 0.658 | 35% | 0.349 | S | S | * | . | trans | -72.8 | 162.2 | 177.2 | -66.3 | -31.2 | 0 | 0 | 0 | 110.8 | P228 | P228-N257 WeakPolarHBondContact CD-O 3.33Š| ||
| 258 | H | 97.3 | Very high | 96.7 | Very high | 104 Ų | 104 | 67.2 Ų | 67.2 | 48% | 0.481 | 38% | 0.376 | S | S | . | . | trans | -69.3 | 141.2 | 172.5 | -58 | 84.1 | 0 | 0 | 0 | 109.4 | L225 I226 V227 R255 | L225-H258 HydrophobicContact CD1-CB 3.89Å; L225-H258 HydrophobicContact CD2-CB 4.23Å; L225-H258 HydrophobicContact CG-CB 4.06Å; I226-H258 WeakPolarHBondContact O-CA 3.44Å; V227-H258 WeakPolarHBondContact CG2-CD2 3.18Å; R255-H258 PolarHBondContact NH2-CE1 3.3Å; R255-H258 PolarHBondContact NH2-NE2 2.89Å | ||
| 259 | I | 97.3 | Very high | 96.6 | Very high | 6 Ų | 6 | 63.6 Ų | 63.6 | 3% | 0.031 | 37% | 0.369 | C | S | . | . | B | Isolated β-bridge | trans | -114.7 | 118.3 | 177.9 | -49.1 | 171.7 | 0 | 0 | 0 | 107.9 | I218 N220 I226 P228 D265 | I218-I259 HydrophobicContact CB-CD1 3.85Å; I218-I259 HydrophobicContact CG2-CD1 3.45Å; I218-I259 VanDerWaalsContact CG2-CD1 3.45Å; N220-I259 HydrophobicContact CB-CG2 3.93Å; N220-I259 PolarHBondContact ND2-O 2.81Å; I226-I259 HydrophobicContact CD1-CB 4.19Å; I226-I259 HydrophobicContact CD1-CD1 4.09Å; I226-I259 HydrophobicContact CG1-CB 3.71Å; I226-I259 HydrophobicContact CG1-CD1 4.28Å; I226-I259 HydrophobicContact CG1-CG1 4.35Å; I226-I259 PolarHBondContact N-O 2.85Å; I226-I259 PolarHBondContact O-N 2.91Å; P228-I259 HydrophobicContact CG-CD1 3.89Å; P228-I259 HydrophobicContact CG-CG1 4.4Å; I259-D265 HydrophobicContact CD1-CB 3.34Å; I259-D265 HydrophobicContact CG1-CB 3.73Å |
| 260 | A | 97.1 | Very high | 96.6 | Very high | 48 Ų | 48 | 62.7 Ų | 62.7 | 40% | 0.397 | 36% | 0.364 | S | S | . | . | trans | -69.7 | 166.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | N220 L225 S263 | N220-A260 VanDerWaalsContact ND2-C 3.32Å; N220-A260 PolarHBondContact ND2-O 2.86Å; L225-A260 HydrophobicContact CD1-CB 4.41Å; A260-S263 WeakPolarHBondContact O-CB 3.48Å; A260-S263 PolarHBondContact O-N 2.84Å | ||
| 261 | S | 95.4 | Very high | 96.5 | Very high | 69 Ų | 69 | 62.8 Ų | 62.8 | 48% | 0.483 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 137.7 | 173.5 | 176.3 | 0 | 0 | 0 | 0 | 110.7 | S222 S263 | S222-S261 WeakPolarHBondContact O-CA 3.5Å; S222-S261 VanDerWaalsContact O-CB 3.28Å; S222-S261 WeakPolarHBondContact O-CB 3.45Å; S222-S261 PolarHBondContact O-OG 2.83Å; S261-S263 PolarHBondContact O-N 2.83Å |
| 262 | G | 94.4 | Very high | 96.5 | Very high | 62 Ų | 62 | 61.5 Ų | 61.5 | 64% | 0.639 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.3 | 11.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | N220 | N220-G262 WeakPolarHBondContact O-CA 3.45Å; N220-G262 PolarHBondContact O-N 2.86Å |
| 263 | S | 97.1 | Very high | 96.5 | Very high | 49 Ų | 49 | 67.5 Ų | 67.5 | 34% | 0.343 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 159.7 | -177.2 | -54.9 | 0 | 0 | 0 | 0 | 112 | N220 A260 S261 | N220-S263 WeakPolarHBondContact CB-O 3.39Å; N220-S263 PolarHBondContact N-O 2.68Å; A260-S263 WeakPolarHBondContact O-CB 3.48Å; A260-S263 PolarHBondContact O-N 2.84Å; S261-S263 PolarHBondContact O-N 2.83Å |
| 264 | T | 96.6 | Very high | 96.5 | Very high | 99 Ų | 99 | 62.7 Ų | 62.7 | 61% | 0.607 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 156 | 173.7 | 54 | 0 | 0 | 0 | 0 | 110.9 | I218 E219 | I218-T264 CarbonylContact O-C 3.53Å; I218-T264 WeakPolarHBondContact O-CA 3.41Å; I218-T264 WeakPolarHBondContact O-CB 3.05Å; E219-T264 HydrophobicContact CB-CG2 4.04Å; E219-T264 HydrophobicContact CG-CG2 3.83Å |
| 265 | D | 97.1 | Very high | 96.5 | Very high | 38 Ų | 38 | 63.3 Ų | 63.3 | 20% | 0.203 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 144.1 | 169.5 | -173.4 | 28.4 | 0 | 0 | 0 | 108.8 | I218 I259 W267 | I218-D265 HydrophobicContact CB-CB 4.5Å; I218-D265 HydrophobicContact CD1-CB 4.47Å; I218-D265 PolarHBondContact N-O 2.83Å; I218-D265 PolarHBondContact O-N 2.85Å; I259-D265 HydrophobicContact CD1-CB 3.34Å; I259-D265 HydrophobicContact CG1-CB 3.73Å; D265-W267 PolarHBondContact OD2-NE1 2.88Å; D265-W267 VanDerWaalsContact OD2-NE1 3.13Å |
| 266 | T | 97.3 | Very high | 96.4 | Very high | 76 Ų | 76 | 62.7 Ų | 62.7 | 47% | 0.466 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 126.6 | 178.7 | 53.1 | 0 | 0 | 0 | 0 | 110.2 | A216 E217 | A216-T266 CarbonylContact O-C 3.51Å; A216-T266 WeakPolarHBondContact O-CA 3.34Å; E217-T266 HydrophobicContact CG-CG2 4.32Å |
| 267 | W | 97.6 | Very high | 96.4 | Very high | 10 Ų | 10 | 63.9 Ų | 63.9 | 4% | 0.038 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 113.3 | 170.6 | -65.3 | 1.8 | 0 | 0 | 0 | 107.7 | I214 Y215 A216 P228 A230 D265 K270 V295 | I214-W267 HydrophobicContact CB-CE3 4.42Å; I214-W267 HydrophobicContact CG2-CE3 3.94Å; I214-W267 HydrophobicContact CG2-CZ3 4.31Å; Y215-W267 CarbonylContact C-O 3.5Å; Y215-W267 WeakPolarHBondContact CA-O 3.38Å; A216-W267 HydrophobicContact CB-CB 4.06Å; A216-W267 HydrophobicContact CB-CD2 4.24Å; A216-W267 HydrophobicContact CB-CE3 4.04Å; A216-W267 HydrophobicContact CB-CG 4.29Å; A216-W267 PolarHBondContact N-O 2.82Å; A216-W267 PolarHBondContact O-N 2.79Å; P228-W267 HydrophobicContact CB-CH2 4.26Å; P228-W267 HydrophobicContact CB-CZ2 3.67Å; P228-W267 HydrophobicContact CG-CZ2 3.84Å; A230-W267 HydrophobicContact CB-CH2 4.14Å; A230-W267 HydrophobicContact CB-CZ3 3.75Å; D265-W267 PolarHBondContact OD2-NE1 2.88Å; D265-W267 VanDerWaalsContact OD2-NE1 3.13Å; W267-K270 HydrophobicContact CB-CB 3.93Å; W267-K270 HydrophobicContact CD2-CB 4.2Å; W267-K270 HydrophobicContact CD2-CD 3.48Å; W267-K270 VanDerWaalsContact CD2-CD 3.48Å; W267-K270 HydrophobicContact CD2-CG 4.48Å; W267-K270 HydrophobicContact CE3-CB 4.23Å; W267-K270 HydrophobicContact CE3-CD 3.73Å; W267-K270 HydrophobicContact CG-CB 4.08Å; W267-K270 HydrophobicContact CG-CD 3.91Å; W267-K270 HydrophobicContact CH2-CD 4.18Å; W267-K270 HydrophobicContact CZ2-CD 3.97Å; W267-K270 HydrophobicContact CZ3-CD 4.07Å; W267-V295 HydrophobicContact CZ3-CG1 4.19Å |
| 268 | N | 95.9 | Very high | 96.3 | Very high | 134 Ų | 134 | 60.1 Ų | 60.1 | 72% | 0.717 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 81 | 177.2 | -68.3 | -31.3 | 0 | 0 | 0 | 109.1 | ||
| 269 | G | 94.8 | Very high | 96.2 | Very high | 21 Ų | 21 | 56 Ų | 56 | 22% | 0.216 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 77.6 | 35.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | I214 T271 | I214-G269 CarbonylContact O-C 3.6Å; I214-G269 WeakPolarHBondContact O-CA 3.21Å; I214-G269 PolarHBondContact O-N 2.8Å; G269-T271 PolarHBondContact O-N 2.93Å; G269-T271 VanDerWaalsContact O-N 3.11Å |
| 270 | K | 96.1 | Very high | 96.2 | Very high | 61 Ų | 61 | 55.9 Ų | 55.9 | 27% | 0.265 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 116.8 | 175.5 | -172.2 | -179.5 | -175.8 | 84.7 | 0 | 109.1 | I214 V254 R255 W267 | I214-K270 VanDerWaalsContact CB-O 3.31Å; I214-K270 WeakPolarHBondContact CB-O 3.34Å; I214-K270 WeakPolarHBondContact CG1-O 3.48Å; I214-K270 PolarHBondContact N-O 2.79Å; I214-K270 PolarHBondContact O-N 2.94Å; V254-K270 VanDerWaalsContact CG2-CE 3.48Å; R255-K270 PolarHBondContact O-NZ 2.76Å; W267-K270 HydrophobicContact CB-CB 3.93Å; W267-K270 HydrophobicContact CD2-CB 4.2Å; W267-K270 HydrophobicContact CD2-CD 3.48Å; W267-K270 VanDerWaalsContact CD2-CD 3.48Å; W267-K270 HydrophobicContact CD2-CG 4.48Å; W267-K270 HydrophobicContact CE3-CB 4.23Å; W267-K270 HydrophobicContact CE3-CD 3.73Å; W267-K270 HydrophobicContact CG-CB 4.08Å; W267-K270 HydrophobicContact CG-CD 3.91Å; W267-K270 HydrophobicContact CH2-CD 4.18Å; W267-K270 HydrophobicContact CZ2-CD 3.97Å; W267-K270 HydrophobicContact CZ3-CD 4.07Å |
| 271 | T | 96.4 | Very high | 96.2 | Very high | 91 Ų | 91 | 53.8 Ų | 53.8 | 56% | 0.558 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 137.2 | -171 | 55.7 | 0 | 0 | 0 | 0 | 112.9 | A211 I212 G269 | A211-T271 HydrophobicContact CB-CG2 4.45Å; I212-T271 WeakPolarHBondContact O-CA 3.49Å; G269-T271 PolarHBondContact O-N 2.93Å; G269-T271 VanDerWaalsContact O-N 3.11Å |
| 272 | L | 97.4 | Very high | 95.8 | Very high | 9 Ų | 9 | 53.7 Ų | 53.7 | 5% | 0.047 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 113.1 | 168.8 | 179.2 | 56.2 | 0 | 0 | 0 | 110 | I212 I214 A230 I232 A252 V254 L293 | I212-L272 PolarHBondContact N-O 2.81Å; I212-L272 PolarHBondContact O-N 3.06Å; I214-L272 HydrophobicContact CD1-CB 3.92Å; I214-L272 HydrophobicContact CD1-CD2 4.3Å; A230-L272 HydrophobicContact CB-CD2 4.46Å; I232-L272 HydrophobicContact CD1-CD2 4.19Å; I232-L272 HydrophobicContact CD1-CG 4.14Å; I232-L272 HydrophobicContact CG1-CD2 3.72Å; I232-L272 HydrophobicContact CG1-CG 4.23Å; A252-L272 HydrophobicContact CB-CD1 3.99Å; V254-L272 HydrophobicContact CB-CD1 4.09Å; V254-L272 HydrophobicContact CG1-CB 4.37Å; V254-L272 HydrophobicContact CG1-CD1 4.21Å; V254-L272 HydrophobicContact CG1-CD2 4.4Å; L272-L293 HydrophobicContact CD2-CD1 3.86Å |
| 273 | K | 97.1 | Very high | 95.5 | Very high | 142 Ų | 142 | 55.9 Ų | 55.9 | 62% | 0.617 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75 | 135 | -178.1 | -170.7 | 174 | -178.8 | 175.6 | 0 | 111.7 | G209 P275 | G209-K273 VanDerWaalsContact O-CE 3.31Å; G209-K273 WeakPolarHBondContact O-CE 3.19Å; K273-P275 WeakPolarHBondContact O-CD 3.43Å |
| 274 | I | 97.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | trans | -83.5 | 115.3 | 173.5 | -58.1 | 170.4 | 0 | 0 | 0 | 108 | Y206 C207 G209 E210 I212 I232 V277 I313 | Y206-I274 HydrophobicContact CG-CD1 4.11Å; C207-I274 WeakPolarHBondContact O-CD1 3.38Å; G209-I274 WeakPolarHBondContact CA-O 3.12Å; G209-I274 PolarHBondContact N-O 2.82Å; E210-I274 WeakPolarHBondContact O-CG1 3.49Å; E210-I274 PolarHBondContact O-N 3.44Å; I212-I274 HydrophobicContact CD1-CD1 3.94Å; I212-I274 HydrophobicContact CD1-CG1 4.01Å; I212-I274 HydrophobicContact CG1-CD1 3.87Å; I212-I274 HydrophobicContact CG1-CG1 4.05Å; I232-I274 HydrophobicContact CD1-CG1 3.78Å; I274-V277 HydrophobicContact CG2-CG2 4.23Å; I274-I313 HydrophobicContact CG2-CD1 3.98Å | ||
| 275 | P | 96.8 | Very high | 94.9 | Very high | 44 Ų | 44 | 53.8 Ų | 53.8 | 29% | 0.286 | 31% | 0.308 | S | S | . | . | trans | -70.8 | 165.8 | 173 | 31.7 | -34 | 0 | 0 | 0 | 110.2 | N208 V251 A252 K273 V277 | N208-P275 PolarHBondContact OD1-O 2.78Å; V251-P275 HydrophobicContact CG1-CG 3.38Å; A252-P275 HydrophobicContact CB-CG 4.49Å; K273-P275 WeakPolarHBondContact O-CD 3.43Å; P275-V277 HydrophobicContact CG-CG1 4.19Å; P275-V277 PolarHBondContact O-N 2.99Å | ||
| 276 | P | 94.9 | Very high | 94.9 | Very high | 125 Ų | 125 | 52.7 Ų | 52.7 | 81% | 0.812 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -57.5 | 111.5 | 173.3 | -23 | 34.2 | 0 | 0 | 0 | 111 | ||
| 277 | V | 95.3 | Very high | 94.8 | Very high | 29 Ų | 29 | 49.1 Ų | 49.1 | 18% | 0.176 | 28% | 0.28 | C | S | . | . | trans | -134.1 | 164.6 | 177.2 | -66.6 | 0 | 0 | 0 | 0 | 111 | N208 V251 I274 P275 Y291 I313 | N208-V277 PolarHBondContact ND2-O 2.82Å; N208-V277 VanDerWaalsContact OD1-CG2 3.27Å; N208-V277 WeakPolarHBondContact OD1-CG2 3.38Å; N208-V277 PolarHBondContact OD1-N 2.86Å; N208-V277 PolarHBondContact OD1-O 3.17Å; V251-V277 HydrophobicContact CG1-CG1 3.58Å; I274-V277 HydrophobicContact CG2-CG2 4.23Å; P275-V277 HydrophobicContact CG-CG1 4.19Å; P275-V277 PolarHBondContact O-N 2.99Å; V277-Y291 HydrophobicContact CG2-CE1 4.03Å; V277-Y291 WeakPolarHBondContact CG2-OH 3.34Å; V277-I313 HydrophobicContact CG2-CD1 3.48Å; V277-I313 VanDerWaalsContact CG2-CD1 3.48Å; V277-I313 HydrophobicContact CG2-CG2 4.39Å | ||
| 278 | T | 94 | Very high | 94.8 | Very high | 45 Ų | 45 | 54.2 Ų | 54.2 | 28% | 0.276 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 137.4 | 174.4 | -46 | 0 | 0 | 0 | 0 | 110.1 | T129 F131 I281 Y291 | T129-T278 HydrophobicContact CG2-CG2 4.22Å; F131-T278 HydrophobicContact CD2-CG2 4.11Å; T278-I281 HydrophobicContact CG2-CD1 4.41Å; T278-Y291 PolarHBondContact O-OH 2.96Å |
| 279 | P | 95.3 | Very high | 94.9 | Very high | 17 Ų | 17 | 47.8 Ų | 47.8 | 11% | 0.11 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -53.4 | 159.9 | 169.6 | -25.1 | 34.3 | 0 | 0 | 0 | 112.4 | I281 T315 | P279-I281 PolarHBondContact O-N 2.93Å; P279-T315 HydrophobicContact CB-CG2 3.85Å; P279-T315 HydrophobicContact CG-CG2 3.48Å; P279-T315 VanDerWaalsContact CG-CG2 3.48Å |
| 280 | S | 96.8 | Very high | 94.9 | Very high | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -59 | 134.6 | 172.2 | -77 | 0 | 0 | 0 | 0 | 110.8 | V289 Y291 I313 | S280-V289 WeakPolarHBondContact CA-O 3.36Å; S280-Y291 WeakPolarHBondContact OG-CD2 3.47Å; S280-I313 PolarHBondContact N-O 2.93Å; S280-I313 PolarHBondContact OG-N 3.01Å |
| 281 | I | 96.3 | Very high | 95 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -111.4 | 101.9 | 176.8 | -53.7 | 179.4 | 0 | 0 | 0 | 106.8 | F131 I138 T278 P279 C284 R288 V289 | F131-I281 HydrophobicContact CB-CD1 3.46Å; F131-I281 VanDerWaalsContact CB-CD1 3.46Å; F131-I281 HydrophobicContact CD1-CD1 4.35Å; F131-I281 HydrophobicContact CD2-CD1 4.06Å; F131-I281 HydrophobicContact CG-CD1 3.7Å; I138-I281 HydrophobicContact CD1-CD1 4.19Å; I138-I281 HydrophobicContact CD1-CG2 4.11Å; T278-I281 HydrophobicContact CG2-CD1 4.41Å; P279-I281 PolarHBondContact O-N 2.93Å; I281-C284 HydrophobicContact CG2-CB 3.85Å; I281-R288 WeakPolarHBondContact O-CA 3.46Å; I281-R288 WeakPolarHBondContact O-CG 3.26Å; I281-V289 HydrophobicContact CB-CB 4.02Å; I281-V289 HydrophobicContact CB-CG2 4.17Å; I281-V289 HydrophobicContact CD1-CB 4.3Å; I281-V289 HydrophobicContact CD1-CG2 3.77Å; I281-V289 HydrophobicContact CG1-CB 4.03Å; I281-V289 HydrophobicContact CG1-CG2 4.06Å; I281-V289 PolarHBondContact N-O 3.43Å; I281-V289 VanDerWaalsContact N-O 3.13Å; I281-V289 PolarHBondContact O-N 2.92Å |
| 282 | L | 88.4 | Confident | 95.1 | Very high | 68 Ų | 68 | 42.1 Ų | 42.1 | 36% | 0.356 | 23% | 0.23 | S | C | . | . | trans | -106 | -33.8 | -173.3 | -56 | 179.3 | 0 | 0 | 0 | 112.2 | C284 V312 | L282-C284 PolarHBondContact O-N 2.84Å; L282-V312 HydrophobicContact CD1-CG1 4.46Å | ||
| 283 | D | 87.1 | Confident | 95.1 | Very high | 107 Ų | 107 | 41.7 Ų | 41.7 | 57% | 0.572 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -97.5 | 21 | -169.4 | -54.4 | -49.3 | 0 | 0 | 0 | 114 | ||
| 284 | C | 91.6 | Very high | 95.2 | Very high | 13 Ų | 13 | 35 Ų | 35 | 9% | 0.088 | 20% | 0.198 | C | C | . | . | trans | -103.9 | 135.3 | 175.1 | 178.9 | 0 | 0 | 0 | 0 | 111.6 | Y90 V128 I138 I281 L282 I287 | Y90-C284 WeakPolarHBondContact OH-CA 3.49Å; Y90-C284 PolarHBondContact OH-SG 2.81Å; V128-C284 HydrophobicContact CB-CB 4.3Å; V128-C284 HydrophobicContact CG1-CB 3.75Å; I138-C284 HydrophobicContact CD1-CB 4.27Å; I281-C284 HydrophobicContact CG2-CB 3.85Å; L282-C284 PolarHBondContact O-N 2.84Å; C284-I287 WeakPolarHBondContact CB-O 3.11Å | ||
| 285 | C | 90.6 | Very high | 95.2 | Very high | 92 Ų | 92 | 34.9 Ų | 34.9 | 62% | 0.622 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -74 | -29.5 | -172.6 | -53.8 | 0 | 0 | 0 | 0 | 113.5 | V88 Y90 | V88-C285 HydrophobicContact CG2-CB 4.45Å; Y90-C285 PolarHBondContact OH-N 3.09Å |
| 286 | I | 95.3 | Very high | 95.2 | Very high | 15 Ų | 15 | 34.2 Ų | 34.2 | 8% | 0.077 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -116.9 | -15.2 | -172.3 | 59.9 | 161.6 | 0 | 0 | 0 | 114.2 | A63 A65 V88 Y238 L239 | A63-I286 HydrophobicContact CB-CD1 3.72Å; A63-I286 HydrophobicContact CB-CG1 3.8Å; A63-I286 WeakPolarHBondContact O-CD1 3.21Å; A65-I286 HydrophobicContact CB-CD1 4.02Å; V88-I286 HydrophobicContact CG2-CD1 4.18Å; V88-I286 HydrophobicContact CG2-CG1 4.09Å; V88-I286 HydrophobicContact CG2-CG2 3.72Å; Y238-I286 CarbonylContact C-O 3.55Å; Y238-I286 WeakPolarHBondContact CA-O 3.39Å; L239-I286 PolarHBondContact N-O 2.85Å; L239-I286 WeakPolarHBondContact O-CB 3.41Å |
| 287 | I | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 128.9 | 178.9 | -63.6 | 171.4 | 0 | 0 | 0 | 108.3 | A65 F131 I138 T237 Y238 C284 | A65-I287 HydrophobicContact CB-CG1 4.48Å; F131-I287 HydrophobicContact CD1-CG2 3.82Å; F131-I287 HydrophobicContact CE1-CG2 3.94Å; I138-I287 HydrophobicContact CD1-CB 4.32Å; I138-I287 HydrophobicContact CD1-CG2 4.43Å; I138-I287 HydrophobicContact CG1-CD1 3.87Å; T237-I287 CarbonylContact O-C 3.49Å; T237-I287 WeakPolarHBondContact O-CA 3.24Å; Y238-I287 HydrophobicContact CD1-CD1 4.43Å; Y238-I287 HydrophobicContact CD1-CG1 3.95Å; Y238-I287 HydrophobicContact CD1-CG2 4.48Å; Y238-I287 HydrophobicContact CE1-CG1 4.41Å; Y238-I287 HydrophobicContact CE1-CG2 4.36Å; C284-I287 WeakPolarHBondContact CB-O 3.11Å |
| 288 | R | 96.3 | Very high | 95.4 | Very high | 117 Ų | 117 | 31.6 Ų | 31.6 | 44% | 0.442 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 136.8 | 177 | -171.5 | 176.7 | 170.5 | -178.5 | -8.4 | 110.3 | Q236 T237 I281 D290 | Q236-R288 CarbonylContact C-O 3.44Å; Q236-R288 WeakPolarHBondContact CA-O 3.42Å; T237-R288 PolarHBondContact N-O 2.94Å; T237-R288 PolarHBondContact O-N 2.95Å; I281-R288 WeakPolarHBondContact O-CA 3.46Å; I281-R288 WeakPolarHBondContact O-CG 3.26Å; R288-D290 VanDerWaalsContact CD-OD2 3.29Å; R288-D290 WeakPolarHBondContact CD-OD2 3.19Å; R288-D290 WeakPolarHBondContact CG-OD2 3.49Å; R288-D290 IonicContact CZ-OD1 2.68Å; R288-D290 VanDerWaalsContact CZ-OD1 3.24Å; R288-D290 IonicContact CZ-OD2 3.24Å; R288-D290 IonicContact NE-OD1 2.67Å; R288-D290 PolarHBondContact NE-OD1 3.18Å; R288-D290 IonicContact NE-OD2 2.85Å; R288-D290 PolarHBondContact NE-OD2 3.25Å; R288-D290 IonicContact NH2-OD1 3.08Å; R288-D290 PolarHBondContact NH2-OD1 3.31Å; R288-D290 IonicContact NH2-OD2 2.81Å |
| 289 | V | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 103.6 | 177.5 | -178.6 | 0 | 0 | 0 | 0 | 108.6 | F131 Q234 S280 I281 Y291 | F131-V289 HydrophobicContact CD1-CG2 4.39Å; F131-V289 HydrophobicContact CD2-CG2 4.21Å; F131-V289 HydrophobicContact CE1-CG2 4.1Å; F131-V289 HydrophobicContact CE2-CG2 3.91Å; F131-V289 HydrophobicContact CG-CG2 4.44Å; F131-V289 HydrophobicContact CZ-CG2 3.85Å; Q234-V289 HydrophobicContact CG-CG1 3.74Å; S280-V289 WeakPolarHBondContact CA-O 3.36Å; I281-V289 HydrophobicContact CB-CB 4.02Å; I281-V289 HydrophobicContact CB-CG2 4.17Å; I281-V289 HydrophobicContact CD1-CB 4.3Å; I281-V289 HydrophobicContact CD1-CG2 3.77Å; I281-V289 HydrophobicContact CG1-CB 4.03Å; I281-V289 HydrophobicContact CG1-CG2 4.06Å; I281-V289 PolarHBondContact N-O 3.43Å; I281-V289 VanDerWaalsContact N-O 3.13Å; I281-V289 PolarHBondContact O-N 2.92Å; V289-Y291 HydrophobicContact CG1-CE2 3.94Å |
| 290 | D | 96.4 | Very high | 95.3 | Very high | 36 Ų | 36 | 31.6 Ų | 31.6 | 19% | 0.193 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 156.6 | 179.1 | -63 | -67.2 | 0 | 0 | 0 | 111.4 | Q234 T235 R288 | Q234-D290 CarbonylContact C-O 3.57Å; Q234-D290 WeakPolarHBondContact CA-O 3.05Å; T235-D290 PolarHBondContact N-O 2.92Å; T235-D290 PolarHBondContact O-N 2.93Å; R288-D290 VanDerWaalsContact CD-OD2 3.29Å; R288-D290 WeakPolarHBondContact CD-OD2 3.19Å; R288-D290 WeakPolarHBondContact CG-OD2 3.49Å; R288-D290 IonicContact CZ-OD1 2.68Å; R288-D290 VanDerWaalsContact CZ-OD1 3.24Å; R288-D290 IonicContact CZ-OD2 3.24Å; R288-D290 IonicContact NE-OD1 2.67Å; R288-D290 PolarHBondContact NE-OD1 3.18Å; R288-D290 IonicContact NE-OD2 2.85Å; R288-D290 PolarHBondContact NE-OD2 3.25Å; R288-D290 IonicContact NH2-OD1 3.08Å; R288-D290 PolarHBondContact NH2-OD1 3.31Å; R288-D290 IonicContact NH2-OD2 2.81Å |
| 291 | Y | 97.9 | Very high | 94.9 | Very high | 6 Ų | 6 | 35.3 Ų | 35.3 | 2% | 0.024 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 151 | 173.7 | -67.1 | -91.4 | 0 | 0 | 0 | 111.4 | I232 F233 Q234 V251 V277 T278 S280 V289 L311 I313 | I232-Y291 HydrophobicContact CG2-CD1 4.11Å; F233-Y291 CarbonylContact O-C 3.53Å; F233-Y291 WeakPolarHBondContact O-CA 3.4Å; Q234-Y291 HydrophobicContact CB-CD1 3.89Å; Q234-Y291 HydrophobicContact CB-CE1 3.51Å; Q234-Y291 HydrophobicContact CG-CD1 4.17Å; Q234-Y291 HydrophobicContact CG-CE1 3.55Å; Q234-Y291 HydrophobicContact CG-CE2 4.43Å; Q234-Y291 PolarHBondContact NE2-OH 2.91Å; V251-Y291 HydrophobicContact CG2-CE1 4.25Å; V277-Y291 HydrophobicContact CG2-CE1 4.03Å; V277-Y291 WeakPolarHBondContact CG2-OH 3.34Å; T278-Y291 PolarHBondContact O-OH 2.96Å; S280-Y291 WeakPolarHBondContact OG-CD2 3.47Å; V289-Y291 HydrophobicContact CG1-CE2 3.94Å; Y291-L311 PolarHBondContact O-N 2.86Å; Y291-L311 VanDerWaalsContact O-O 3.05Å; Y291-I313 HydrophobicContact CD1-CD1 3.49Å; Y291-I313 VanDerWaalsContact CD1-CD1 3.49Å; Y291-I313 HydrophobicContact CD1-CG1 4.24Å; Y291-I313 HydrophobicContact CD2-CB 4.05Å; Y291-I313 HydrophobicContact CD2-CD1 3.71Å; Y291-I313 HydrophobicContact CD2-CG1 3.66Å; Y291-I313 HydrophobicContact CE1-CD1 3.51Å; Y291-I313 HydrophobicContact CE2-CB 4.03Å; Y291-I313 HydrophobicContact CE2-CD1 3.73Å; Y291-I313 HydrophobicContact CE2-CG1 3.97Å; Y291-I313 HydrophobicContact CG-CD1 3.58Å; Y291-I313 HydrophobicContact CG-CG1 3.8Å |
| 292 | S | 97.8 | Very high | 94.6 | Very high | 12 Ų | 12 | 36.9 Ų | 36.9 | 8% | 0.084 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 141.6 | 172.8 | 55.8 | 0 | 0 | 0 | 0 | 110.8 | I232 F233 L309 | I232-S292 WeakPolarHBondContact CA-O 3.38Å; F233-S292 PolarHBondContact N-O 2.81Å; F233-S292 PolarHBondContact O-N 2.86Å; S292-L309 CarbonylContact C-O 3.49Å; S292-L309 VanDerWaalsContact CA-O 3.3Å; S292-L309 WeakPolarHBondContact CA-O 3.46Å |
| 293 | L | 98.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 114 | 165.5 | 177.3 | 65.9 | 0 | 0 | 0 | 108 | I201 I212 I214 A230 I232 L272 V295 L309 L311 | I201-L293 HydrophobicContact CG2-CD2 3.54Å; I212-L293 HydrophobicContact CG2-CD2 4.34Å; I214-L293 HydrophobicContact CD1-CD1 3.89Å; I214-L293 HydrophobicContact CD1-CD2 3.95Å; I214-L293 HydrophobicContact CD1-CG 4.5Å; I214-L293 HydrophobicContact CG1-CD2 3.85Å; I214-L293 HydrophobicContact CG2-CD2 4.42Å; A230-L293 HydrophobicContact CB-CD1 4.3Å; I232-L293 HydrophobicContact CG1-CD1 4.37Å; L272-L293 HydrophobicContact CD2-CD1 3.86Å; L293-V295 HydrophobicContact CD2-CG2 4.44Å; L293-V295 HydrophobicContact CG-CG2 4.34Å; L293-L309 HydrophobicContact CB-CB 4.31Å; L293-L309 HydrophobicContact CD2-CD1 4.09Å; L293-L309 PolarHBondContact N-O 3.29Å; L293-L309 PolarHBondContact O-N 3.26Å; L293-L311 HydrophobicContact CB-CD1 3.83Å; L293-L311 HydrophobicContact CB-CD2 4.32Å; L293-L311 HydrophobicContact CB-CG 4.06Å |
| 294 | A | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 120.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | A230 A231 F233 Y296 M306 L307 E308 | A230-A294 CarbonylContact C-O 3.51Å; A230-A294 WeakPolarHBondContact CA-O 3.23Å; A231-A294 PolarHBondContact N-O 2.89Å; A231-A294 PolarHBondContact O-N 2.98Å; F233-A294 HydrophobicContact CD2-CB 3.63Å; F233-A294 HydrophobicContact CE2-CB 3.57Å; A294-Y296 HydrophobicContact CB-CD1 4.3Å; A294-M306 HydrophobicContact CB-CE 3.39Å; A294-L307 CarbonylContact C-O 3.56Å; A294-L307 WeakPolarHBondContact CA-O 3.34Å; A294-E308 HydrophobicContact CB-CG 4.35Å |
| 295 | V | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 122.4 | 166.6 | -172.4 | 0 | 0 | 0 | 0 | 107.3 | L197 A199 I214 A230 W267 L293 L307 | L197-V295 HydrophobicContact CD1-CG1 3.91Å; L197-V295 HydrophobicContact CD2-CB 4.4Å; L197-V295 HydrophobicContact CD2-CG1 4.11Å; L197-V295 WeakPolarHBondContact CD2-O 3.36Å; A199-V295 HydrophobicContact CB-CB 3.99Å; A199-V295 HydrophobicContact CB-CG1 4.34Å; A199-V295 HydrophobicContact CB-CG2 3.84Å; I214-V295 HydrophobicContact CG2-CG2 4.12Å; A230-V295 HydrophobicContact CB-CG2 4.29Å; W267-V295 HydrophobicContact CZ3-CG1 4.19Å; L293-V295 HydrophobicContact CD2-CG2 4.44Å; L293-V295 HydrophobicContact CG-CG2 4.34Å; V295-L307 PolarHBondContact N-O 3.13Å; V295-L307 PolarHBondContact O-N 2.86Å |
| 296 | Y | 97.4 | Very high | 95.5 | Very high | 29 Ų | 29 | 39 Ų | 39 | 11% | 0.114 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 149.7 | -173.8 | 65 | -85.1 | 0 | 0 | 0 | 113 | K229 A231 A294 K304 L305 | K229-Y296 HydrophobicContact CB-CD1 4.46Å; K229-Y296 HydrophobicContact CB-CD2 4.3Å; K229-Y296 HydrophobicContact CB-CE1 3.96Å; K229-Y296 HydrophobicContact CB-CE2 3.8Å; K229-Y296 HydrophobicContact CD-CE2 3.85Å; K229-Y296 HydrophobicContact CG-CE2 4.3Å; K229-Y296 PolarHBondContact N-O 2.94Å; K229-Y296 PolarHBondContact O-N 2.94Å; K229-Y296 VanDerWaalsContact O-O 3.11Å; A231-Y296 HydrophobicContact CB-CE1 4.09Å; A294-Y296 HydrophobicContact CB-CD1 4.3Å; Y296-K304 HydrophobicContact CD2-CD 4.36Å; Y296-L305 CarbonylContact C-O 3.6Å; Y296-L305 WeakPolarHBondContact CA-O 3.21Å; Y296-L305 VanDerWaalsContact CB-O 3.24Å; Y296-L305 WeakPolarHBondContact CB-O 3.36Å |
| 297 | I | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 123.1 | -178.8 | -60.5 | 171.8 | 0 | 0 | 0 | 108.5 | V195 L197 I218 I226 P228 I299 K304 L305 | V195-I297 HydrophobicContact CG1-CD1 3.58Å; V195-I297 HydrophobicContact CG1-CG2 4.27Å; L197-I297 HydrophobicContact CB-CD1 3.91Å; L197-I297 HydrophobicContact CD1-CD1 4.27Å; L197-I297 HydrophobicContact CD2-CD1 4.34Å; L197-I297 HydrophobicContact CD2-CG1 4.31Å; L197-I297 HydrophobicContact CG-CD1 4.39Å; I218-I297 HydrophobicContact CG1-CD1 4.39Å; I218-I297 HydrophobicContact CG2-CD1 3.48Å; I218-I297 VanDerWaalsContact CG2-CD1 3.48Å; I218-I297 HydrophobicContact CG2-CG1 4.4Å; I226-I297 HydrophobicContact CB-CG2 3.66Å; I226-I297 HydrophobicContact CD1-CD1 4.34Å; I226-I297 HydrophobicContact CD1-CG2 3.66Å; I226-I297 HydrophobicContact CG1-CG2 4.07Å; I226-I297 HydrophobicContact CG2-CG2 4.26Å; P228-I297 HydrophobicContact CB-CG1 4.36Å; I297-I299 HydrophobicContact CG2-CG1 3.84Å; I297-K304 WeakPolarHBondContact O-CA 3.23Å; I297-K304 WeakPolarHBondContact O-CB 3.39Å; I297-L305 HydrophobicContact CB-CB 4.45Å; I297-L305 HydrophobicContact CD1-CD2 4.3Å; I297-L305 PolarHBondContact N-O 2.81Å; I297-L305 PolarHBondContact O-N 2.79Å |
| 298 | H | 96.3 | Very high | 95.7 | Very high | 99 Ų | 99 | 42.3 Ų | 42.3 | 46% | 0.458 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 118.2 | 168.6 | -171.4 | 71 | 0 | 0 | 0 | 109.4 | V227 | V227-H298 HydrophobicContact CB-CB 4.44Å; V227-H298 PolarHBondContact N-O 2.84Å; V227-H298 VanDerWaalsContact N-O 3.07Å; V227-H298 PolarHBondContact O-N 3.11Å |
| 299 | I | 94.3 | Very high | 95.7 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | trans | -114.5 | 109.7 | -179.3 | -53.4 | 171.2 | 0 | 0 | 0 | 106.7 | V185 V195 I226 I297 G301 A302 L305 | V185-I299 HydrophobicContact CG1-CG2 4.02Å; V185-I299 HydrophobicContact CG2-CD1 3.96Å; V185-I299 HydrophobicContact CG2-CG2 4.16Å; V195-I299 HydrophobicContact CB-CD1 4.24Å; V195-I299 HydrophobicContact CG1-CD1 4.47Å; V195-I299 HydrophobicContact CG2-CD1 4.1Å; I226-I299 HydrophobicContact CG2-CG1 4.09Å; I226-I299 HydrophobicContact CG2-CG2 4.33Å; I297-I299 HydrophobicContact CG2-CG1 3.84Å; I299-G301 PolarHBondContact O-N 2.88Å; I299-A302 HydrophobicContact CB-CB 4.17Å; I299-A302 HydrophobicContact CG2-CB 3.88Å; I299-A302 PolarHBondContact O-N 2.68Å; I299-A302 VanDerWaalsContact O-N 3.09Å; I299-A302 VanDerWaalsContact O-O 3.06Å; I299-L305 HydrophobicContact CD1-CB 4.37Å | ||
| 300 | P | 92.1 | Very high | 95.7 | Very high | 62 Ų | 62 | 39.2 Ų | 39.2 | 40% | 0.403 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 129.1 | -179.8 | -27.3 | 35.1 | 0 | 0 | 0 | 111.1 | R224 L225 A302 | R224-P300 WeakPolarHBondContact CD-O 3.28Å; R224-P300 PolarHBondContact NH1-O 2.8Å; L225-P300 VanDerWaalsContact O-CD 3.26Å; L225-P300 WeakPolarHBondContact O-CD 3.34Å; L225-P300 WeakPolarHBondContact O-CG 3.26Å; P300-A302 VanDerWaalsContact C-N 3.3Å; P300-A302 PolarHBondContact O-N 3.02Å |
| 301 | G | 88.4 | Confident | 95.7 | Very high | 81 Ų | 81 | 37.8 Ų | 37.8 | 84% | 0.835 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.5 | 17 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | R224 I299 | R224-G301 PolarHBondContact NH1-O 2.86Å; I299-G301 PolarHBondContact O-N 2.88Å |
| 302 | A | 89.5 | Confident | 95.7 | Very high | 37 Ų | 37 | 37.9 Ų | 37.9 | 31% | 0.306 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -141.2 | 161.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | I299 P300 | I299-A302 HydrophobicContact CB-CB 4.17Å; I299-A302 HydrophobicContact CG2-CB 3.88Å; I299-A302 PolarHBondContact O-N 2.68Å; I299-A302 VanDerWaalsContact O-N 3.09Å; I299-A302 VanDerWaalsContact O-O 3.06Å; P300-A302 VanDerWaalsContact C-N 3.3Å; P300-A302 PolarHBondContact O-N 3.02Å |
| 303 | K | 91 | Very high | 95.6 | Very high | 176 Ų | 176 | 37.4 Ų | 37.4 | 77% | 0.765 | 21% | 0.208 | S | C | * | . | P | Polyproline II helix | trans | -60.5 | 143.1 | 171.1 | -57.4 | 178.6 | 179.5 | 178.1 | 0 | 109.3 | K183 | K183-K303 PolarHBondContact NZ-O 2.91Š|
| 304 | K | 94.6 | Very high | 95.5 | Very high | 109 Ų | 109 | 37.4 Ų | 37.4 | 47% | 0.474 | 21% | 0.209 | S | C | . | . | P | Polyproline II helix | trans | -56.7 | 146.5 | 173.3 | 59.1 | 178.9 | 178.5 | 171.8 | 0 | 111.8 | Y296 I297 M306 | Y296-K304 HydrophobicContact CD2-CD 4.36Å; I297-K304 WeakPolarHBondContact O-CA 3.23Å; I297-K304 WeakPolarHBondContact O-CB 3.39Å; K304-M306 HydrophobicContact CD-SD 4.14Å; K304-M306 PolarHBondContact NZ-SD 2.8Å |
| 305 | L | 95.8 | Very high | 95.2 | Very high | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 128.9 | 163.8 | 173.6 | 59.2 | 0 | 0 | 0 | 107.2 | Q181 K183 V195 L197 Y296 I297 I299 | Q181-L305 HydrophobicContact CB-CD1 4.02Å; Q181-L305 HydrophobicContact CG-CD1 3.61Å; Q181-L305 VanDerWaalsContact OE1-CD1 3.24Å; K183-L305 HydrophobicContact CB-CD1 4.03Å; K183-L305 HydrophobicContact CB-CD2 4.32Å; V195-L305 HydrophobicContact CB-CD2 4.48Å; V195-L305 HydrophobicContact CG1-CD2 4.15Å; V195-L305 VanDerWaalsContact O-CD2 3.28Å; V195-L305 WeakPolarHBondContact O-CD2 3.33Å; L197-L305 HydrophobicContact CB-CD2 3.82Å; L197-L305 HydrophobicContact CB-CG 4.32Å; Y296-L305 CarbonylContact C-O 3.6Å; Y296-L305 WeakPolarHBondContact CA-O 3.21Å; Y296-L305 VanDerWaalsContact CB-O 3.24Å; Y296-L305 WeakPolarHBondContact CB-O 3.36Å; I297-L305 HydrophobicContact CB-CB 4.45Å; I297-L305 HydrophobicContact CD1-CD2 4.3Å; I297-L305 PolarHBondContact N-O 2.81Å; I297-L305 PolarHBondContact O-N 2.79Å; I299-L305 HydrophobicContact CD1-CB 4.37Å |
| 306 | M | 96.6 | Very high | 94.9 | Very high | 36 Ų | 36 | 42.4 Ų | 42.4 | 18% | 0.177 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 122.5 | -168.4 | 176.8 | 168.9 | -179.7 | 0 | 0 | 111.7 | Q181 F233 A294 K304 E308 | Q181-M306 PolarHBondContact OE1-O 2.67Å; F233-M306 HydrophobicContact CE2-CE 4.12Å; A294-M306 HydrophobicContact CB-CE 3.39Å; K304-M306 HydrophobicContact CD-SD 4.14Å; K304-M306 PolarHBondContact NZ-SD 2.8Å; M306-E308 HydrophobicContact CE-CG 3.87Å; M306-E308 WeakPolarHBondContact CE-OE1 3.43Å; M306-E308 HydrophobicContact CG-CG 4.46Å |
| 307 | L | 97.4 | Very high | 94.5 | Very high | 10 Ų | 10 | 44.5 Ų | 44.5 | 5% | 0.052 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 136.3 | 170.8 | -69.4 | -179.7 | 0 | 0 | 0 | 110 | K179 Q181 L197 A199 A294 V295 | K179-L307 HydrophobicContact CB-CD1 4.09Å; K179-L307 HydrophobicContact CB-CD2 3.94Å; K179-L307 HydrophobicContact CB-CG 4.48Å; K179-L307 VanDerWaalsContact O-CD1 3.23Å; K179-L307 WeakPolarHBondContact O-CD1 3.24Å; Q181-L307 HydrophobicContact CB-CD2 3.47Å; Q181-L307 VanDerWaalsContact CB-CD2 3.47Å; Q181-L307 HydrophobicContact CB-CG 4.24Å; L197-L307 HydrophobicContact CB-CD1 4.49Å; L197-L307 HydrophobicContact CD2-CB 4.41Å; L197-L307 HydrophobicContact CD2-CD1 3.99Å; L197-L307 HydrophobicContact CD2-CG 3.98Å; L197-L307 HydrophobicContact CG-CD1 3.78Å; L197-L307 HydrophobicContact CG-CG 4.28Å; A199-L307 HydrophobicContact CB-CD1 3.92Å; A294-L307 CarbonylContact C-O 3.56Å; A294-L307 WeakPolarHBondContact CA-O 3.34Å; V295-L307 PolarHBondContact N-O 3.13Å; V295-L307 PolarHBondContact O-N 2.86Å |
| 308 | E | 97.5 | Very high | 93.9 | Very high | 74 Ų | 74 | 48.6 Ų | 48.6 | 35% | 0.346 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 114.7 | 173.8 | -66.1 | -173.7 | 164.2 | 0 | 0 | 110.3 | K179 R248 A294 M306 | K179-E308 WeakPolarHBondContact CD-O 3.28Å; K179-E308 WeakPolarHBondContact CE-O 3.47Å; K179-E308 PolarHBondContact NZ-O 2.94Å; R248-E308 IonicContact CZ-OE1 3.38Å; R248-E308 IonicContact NH1-OE1 2.68Å; R248-E308 PolarHBondContact NH1-OE1 2.8Å; R248-E308 IonicContact NH2-OE1 3.83Å; R248-E308 PolarHBondContact NH2-OE1 3.22Å; A294-E308 HydrophobicContact CB-CG 4.35Å; M306-E308 HydrophobicContact CE-CG 3.87Å; M306-E308 WeakPolarHBondContact CE-OE1 3.43Å; M306-E308 HydrophobicContact CG-CG 4.46Å |
| 309 | L | 97.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 124.1 | 175.2 | -59.3 | 162.5 | 0 | 0 | 0 | 107.7 | V177 K179 A199 I201 S292 L293 | V177-L309 HydrophobicContact CB-CD2 4.11Å; V177-L309 HydrophobicContact CG1-CB 4.31Å; V177-L309 HydrophobicContact CG1-CD2 3.45Å; V177-L309 VanDerWaalsContact CG1-CD2 3.45Å; V177-L309 HydrophobicContact CG1-CG 4.49Å; K179-L309 HydrophobicContact CB-CD2 3.98Å; K179-L309 HydrophobicContact CD-CD2 4.08Å; K179-L309 HydrophobicContact CG-CD2 3.79Å; A199-L309 HydrophobicContact CB-CD1 4.07Å; I201-L309 HydrophobicContact CD1-CB 4.08Å; I201-L309 HydrophobicContact CG1-CD1 4.37Å; I201-L309 HydrophobicContact CG2-CD1 4.19Å; S292-L309 CarbonylContact C-O 3.49Å; S292-L309 VanDerWaalsContact CA-O 3.3Å; S292-L309 WeakPolarHBondContact CA-O 3.46Å; L293-L309 HydrophobicContact CB-CB 4.31Å; L293-L309 HydrophobicContact CD2-CD1 4.09Å; L293-L309 PolarHBondContact N-O 3.29Å; L293-L309 PolarHBondContact O-N 3.26Å |
| 310 | P | 96.9 | Very high | 91.8 | Very high | 51 Ų | 51 | 49.3 Ų | 49.3 | 33% | 0.331 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 142.3 | 178.2 | 27.3 | -36.6 | 0 | 0 | 0 | 111.1 | V177 K204 | V177-P310 HydrophobicContact CG1-CG 4.48Å; K204-P310 HydrophobicContact CD-CB 4.5Å; K204-P310 HydrophobicContact CD-CG 4.49Å |
| 311 | L | 96.4 | Very high | 89.9 | Confident | 7 Ų | 7 | 57.6 Ų | 57.6 | 4% | 0.037 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 155.1 | 174.5 | -64.9 | 179.8 | 0 | 0 | 0 | 110.4 | I201 K204 Y206 I212 I232 Y291 L293 | I201-L311 HydrophobicContact CD1-CD2 3.55Å; K204-L311 CarbonylContact O-C 3.59Å; K204-L311 WeakPolarHBondContact O-CA 3.18Å; Y206-L311 HydrophobicContact CD2-CD2 3.94Å; Y206-L311 HydrophobicContact CE2-CD2 3.73Å; I212-L311 HydrophobicContact CD1-CD1 3.72Å; I212-L311 HydrophobicContact CD1-CD2 4.33Å; I232-L311 HydrophobicContact CG2-CD1 4.4Å; Y291-L311 PolarHBondContact O-N 2.86Å; Y291-L311 VanDerWaalsContact O-O 3.05Å; L293-L311 HydrophobicContact CB-CD1 3.83Å; L293-L311 HydrophobicContact CB-CD2 4.32Å; L293-L311 HydrophobicContact CB-CG 4.06Å |
| 312 | V | 96.8 | Very high | 87.9 | Confident | 8 Ų | 8 | 57 Ų | 57 | 5% | 0.048 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 127.6 | 167 | 172.2 | 0 | 0 | 0 | 0 | 107.8 | V166 L173 K204 G205 Y206 L282 | V166-V312 HydrophobicContact CG1-CG1 3.81Å; L173-V312 HydrophobicContact CD1-CB 4.34Å; L173-V312 HydrophobicContact CD1-CG1 4.03Å; L173-V312 HydrophobicContact CD2-CB 3.93Å; L173-V312 HydrophobicContact CD2-CG1 4.38Å; L173-V312 HydrophobicContact CD2-CG2 3.73Å; K204-V312 HydrophobicContact CG-CG2 4.33Å; K204-V312 PolarHBondContact O-N 3.13Å; G205-V312 WeakPolarHBondContact CA-O 3.45Å; Y206-V312 PolarHBondContact N-O 3Å; L282-V312 HydrophobicContact CD1-CG1 4.46Å |
| 313 | I | 96.8 | Very high | 85.6 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 110.5 | 174.9 | -59.9 | -173.2 | 0 | 0 | 0 | 107.8 | Y206 I274 V277 S280 Y291 | Y206-I313 CarbonylContact O-C 3.54Å; Y206-I313 VanDerWaalsContact O-CA 3.24Å; Y206-I313 WeakPolarHBondContact O-CA 3.26Å; I274-I313 HydrophobicContact CG2-CD1 3.98Å; V277-I313 HydrophobicContact CG2-CD1 3.48Å; V277-I313 VanDerWaalsContact CG2-CD1 3.48Å; V277-I313 HydrophobicContact CG2-CG2 4.39Å; S280-I313 PolarHBondContact N-O 2.93Å; S280-I313 PolarHBondContact OG-N 3.01Å; Y291-I313 HydrophobicContact CD1-CD1 3.49Å; Y291-I313 VanDerWaalsContact CD1-CD1 3.49Å; Y291-I313 HydrophobicContact CD1-CG1 4.24Å; Y291-I313 HydrophobicContact CD2-CB 4.05Å; Y291-I313 HydrophobicContact CD2-CD1 3.71Å; Y291-I313 HydrophobicContact CD2-CG1 3.66Å; Y291-I313 HydrophobicContact CE1-CD1 3.51Å; Y291-I313 HydrophobicContact CE2-CB 4.03Å; Y291-I313 HydrophobicContact CE2-CD1 3.73Å; Y291-I313 HydrophobicContact CE2-CG1 3.97Å; Y291-I313 HydrophobicContact CG-CD1 3.58Å; Y291-I313 HydrophobicContact CG-CG1 3.8Å |
| 314 | G | 95.1 | Very high | 83.6 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 176.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | V166 Y206 C207 | V166-G314 WeakPolarHBondContact O-CA 3.48Å; Y206-G314 PolarHBondContact O-N 2.9Å; C207-G314 PolarHBondContact SG-O 3.36Å |
| 315 | T | 92.5 | Very high | 81.1 | Confident | 43 Ų | 43 | 63.1 Ų | 63.1 | 26% | 0.264 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -107.3 | -25.1 | 179.3 | 57.3 | 0 | 0 | 0 | 0 | 112.8 | V163 H165 V166 P279 | V163-T315 HydrophobicContact CG1-CG2 3.76Å; H165-T315 VanDerWaalsContact CA-OG1 3.29Å; H165-T315 WeakPolarHBondContact CA-OG1 3.19Å; H165-T315 PolarHBondContact ND1-OG1 2.84Å; V166-T315 PolarHBondContact N-OG1 2.91Å; V166-T315 VanDerWaalsContact N-OG1 3.1Å; V166-T315 PolarHBondContact O-N 2.75Å; P279-T315 HydrophobicContact CB-CG2 3.85Å; P279-T315 HydrophobicContact CG-CG2 3.48Å; P279-T315 VanDerWaalsContact CG-CG2 3.48Å |
| 316 | I | 91.9 | Very high | 78.4 | Confident | 61 Ų | 61 | 66 Ų | 66 | 31% | 0.313 | 35% | 0.354 | S | S | . | . | B | Isolated β-bridge | trans | -97.1 | 119.8 | 178.5 | -58.5 | 171.4 | 0 | 0 | 0 | 106.8 | H165 V166 D167 V168 C207 | H165-I316 HydrophobicContact CB-CD1 4.2Å; V166-I316 PolarHBondContact O-N 2.72Å; D167-I316 HydrophobicContact CB-CD1 4.02Å; V168-I316 WeakPolarHBondContact CG2-O 3.09Å; C207-I316 VanDerWaalsContact SG-C 3.58Å; C207-I316 PolarHBondContact SG-O 2.74Å |
| 317 | P | 88.9 | Confident | 76 | Confident | 74 Ų | 74 | 69.7 Ų | 69.7 | 48% | 0.481 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 157 | -175.3 | 27.4 | -34.3 | 0 | 0 | 0 | 112.2 | N169 C207 N319 | N169-P317 PolarHBondContact ND2-O 3.49Å; C207-P317 VanDerWaalsContact SG-CA 3.59Å; P317-N319 PolarHBondContact O-N 2.84Å; P317-N319 PolarHBondContact O-OD1 3.36Å |
| 318 | Y | 85.4 | Confident | 73.5 | Confident | 86 Ų | 86 | 75.9 Ų | 75.9 | 34% | 0.337 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 119.3 | 176.9 | 176.6 | -115.5 | 0 | 0 | 0 | 110.7 | N169 L174 G320 | N169-Y318 WeakPolarHBondContact OD1-CA 3.23Å; N169-Y318 VanDerWaalsContact OD1-CD2 3.23Å; N169-Y318 WeakPolarHBondContact OD1-CD2 3.24Å; L174-Y318 HydrophobicContact CD1-CE2 4.36Å; L174-Y318 HydrophobicContact CD2-CD2 3.6Å; L174-Y318 HydrophobicContact CD2-CE2 3.31Å; L174-Y318 HydrophobicContact CG-CE2 4.47Å; Y318-G320 VanDerWaalsContact C-N 3.35Å; Y318-G320 VanDerWaalsContact CE1-CA 3.41Å; Y318-G320 PolarHBondContact O-N 2.84Å |
| 319 | N | 80.2 | Confident | 70.7 | Confident | 94 Ų | 94 | 77.2 Ų | 77.2 | 50% | 0.503 | 44% | 0.439 | S | S | . | . | trans | -90.5 | 74.4 | 174.5 | -67.6 | -10.5 | 0 | 0 | 0 | 108.2 | N169 P317 | N169-N319 PolarHBondContact OD1-N 2.99Å; P317-N319 PolarHBondContact O-N 2.84Å; P317-N319 PolarHBondContact O-OD1 3.36Å | ||
| 320 | G | 66.6 | Low | 68 | Low | 21 Ų | 21 | 82.1 Ų | 82.1 | 22% | 0.216 | 47% | 0.473 | C | S | . | . | trans | -57.9 | 150 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y318 G322 S323 | Y318-G320 VanDerWaalsContact C-N 3.35Å; Y318-G320 VanDerWaalsContact CE1-CA 3.41Å; Y318-G320 PolarHBondContact O-N 2.84Å; G320-G322 PolarHBondContact O-N 3.07Å; G320-S323 PolarHBondContact O-N 2.94Å; G320-S323 VanDerWaalsContact O-N 3.1Å | ||
| 321 | F | 50.8 | Low | 65.3 | Low | 235 Ų | 235 | 88.2 Ų | 88.2 | 100% | 1.031 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 5.8 | 174.5 | -96.1 | -92.2 | 0 | 0 | 0 | 115.2 | ||
| 322 | G | 46.4 | Very low | 62.3 | Low | 70 Ų | 70 | 95.9 Ų | 95.9 | 72% | 0.722 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.6 | 3.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | G320 R324 | G320-G322 PolarHBondContact O-N 3.07Å; G322-R324 PolarHBondContact O-N 3.19Å |
| 323 | S | 42.9 | Very low | 59.5 | Low | 57 Ų | 57 | 101.4 Ų | 101.4 | 40% | 0.399 | 57% | 0.569 | S | S | . | * | trans | -91.1 | 76.9 | 179.1 | -158.7 | 0 | 0 | 0 | 0 | 111.5 | G320 N325 | G320-S323 PolarHBondContact O-N 2.94Å; G320-S323 VanDerWaalsContact O-N 3.1Å; S323-N325 PolarHBondContact O-N 3.07Å; S323-N325 PolarHBondContact OG-OD1 2.87Å | ||
| 324 | R | 48.1 | Very low | 56.6 | Low | 253 Ų | 253 | 108.4 Ų | 108.4 | 96% | 0.955 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | 15.1 | 171.9 | -82.8 | -171.6 | 169 | -160.6 | -2.7 | 113.7 | G322 | G322-R324 PolarHBondContact O-N 3.19Š|
| 325 | N | 43 | Very low | 54.3 | Low | 139 Ų | 139 | 114.4 Ų | 114.4 | 74% | 0.743 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.2 | 15 | -169.2 | 47.8 | -7 | 0 | 0 | 0 | 115.7 | S323 | S323-N325 PolarHBondContact O-N 3.07Å; S323-N325 PolarHBondContact OG-OD1 2.87Å |
| 326 | S | 38.5 | Very low | 51.9 | Low | 66 Ų | 66 | 117.5 Ų | 117.5 | 46% | 0.462 | 65% | 0.648 | S | S | . | * | trans | -100.4 | 87.7 | 163.2 | 51.9 | 0 | 0 | 0 | 0 | 110.3 | I328 | S326-I328 PolarHBondContact O-N 3.45Š| ||
| 327 | S | 45 | Very low | 50 | Low | 113 Ų | 113 | 117.4 Ų | 117.4 | 79% | 0.79 | 65% | 0.653 | S | S | * | * | trans | -63.3 | 89.7 | 168 | 52.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 328 | I | 46.8 | Very low | 48.2 | Very low | 139 Ų | 139 | 121.8 Ų | 121.8 | 71% | 0.713 | 66% | 0.66 | S | S | * | * | trans | -121.2 | -2.3 | 163.4 | -66.9 | 178.3 | 0 | 0 | 0 | 111 | S326 S330 | S326-I328 PolarHBondContact O-N 3.45Å; I328-S330 PolarHBondContact O-N 3.21Å; I328-S330 VanDerWaalsContact O-N 3.1Å | ||
| 329 | A | 38.8 | Very low | 46.4 | Very low | 103 Ų | 103 | 120.7 Ų | 120.7 | 85% | 0.851 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | 33.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 330 | S | 40.5 | Very low | 44.9 | Very low | 102 Ų | 102 | 121.5 Ų | 121.5 | 71% | 0.713 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.9 | 15.2 | 177.3 | 70.9 | 0 | 0 | 0 | 0 | 114.7 | I328 | I328-S330 PolarHBondContact O-N 3.21Å; I328-S330 VanDerWaalsContact O-N 3.1Å |
| 331 | Q | 40.9 | Very low | 44.2 | Very low | 179 Ų | 179 | 127.8 Ų | 127.8 | 84% | 0.836 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -132.3 | 7.9 | 175.5 | -69.7 | -169.8 | -2.4 | 0 | 0 | 115.8 | ||
| 332 | F | 33.2 | Very low | 44.2 | Very low | 168 Ų | 168 | 121.4 Ų | 121.4 | 74% | 0.737 | 68% | 0.676 | S | S | * | * | trans | -106.1 | 79.8 | 164.2 | -71.9 | -78.2 | 0 | 0 | 0 | 109.2 | M334 | F332-M334 HydrophobicContact CB-CG 4.43Å; F332-M334 HydrophobicContact CD1-CE 4.03Å; F332-M334 HydrophobicContact CE1-CE 4.49Å; F332-M334 PolarHBondContact O-N 3.42Å | ||
| 333 | S | 36.8 | Very low | 44.1 | Very low | 124 Ų | 124 | 124.2 Ų | 124.2 | 87% | 0.867 | 67% | 0.674 | S | S | * | * | trans | -69.2 | 76.5 | 154.9 | 173.4 | 0 | 0 | 0 | 0 | 107.3 | D335 | S333-D335 PolarHBondContact O-N 2.81Š| ||
| 334 | M | 36.3 | Very low | 44.1 | Very low | 148 Ų | 148 | 126.9 Ų | 126.9 | 73% | 0.729 | 69% | 0.69 | S | S | * | * | trans | -81 | 112.2 | 161.5 | -69.8 | -152.4 | 177.3 | 0 | 0 | 106.9 | F332 M336 | F332-M334 HydrophobicContact CB-CG 4.43Å; F332-M334 HydrophobicContact CD1-CE 4.03Å; F332-M334 HydrophobicContact CE1-CE 4.49Å; F332-M334 PolarHBondContact O-N 3.42Å; M334-M336 PolarHBondContact O-N 2.88Å | ||
| 335 | D | 46.3 | Very low | 44 | Very low | 127 Ų | 127 | 124.6 Ų | 124.6 | 68% | 0.679 | 69% | 0.69 | S | S | * | * | trans | -51.1 | 107.7 | 173.3 | -175.9 | 28.9 | 0 | 0 | 0 | 109.7 | S333 S337 | S333-D335 PolarHBondContact O-N 2.81Å; D335-S337 PolarHBondContact O-N 3.28Å; D335-S337 VanDerWaalsContact O-N 3.14Å; D335-S337 WeakPolarHBondContact OD2-CB 3.27Å; D335-S337 PolarHBondContact OD2-OG 3.26Å | ||
| 336 | M | 41.9 | Very low | 44.3 | Very low | 108 Ų | 108 | 125.8 Ų | 125.8 | 53% | 0.532 | 69% | 0.691 | S | S | . | * | trans | -82.6 | 39.6 | 175.9 | -78.1 | -156 | 111.8 | 0 | 0 | 111.5 | M334 W338 L339 | M334-M336 PolarHBondContact O-N 2.88Å; M336-W338 HydrophobicContact CE-CZ2 4.35Å; M336-W338 PolarHBondContact O-N 2.93Å; M336-W338 VanDerWaalsContact O-N 3.15Å; M336-L339 HydrophobicContact CE-CD1 3.17Å; M336-L339 HydrophobicContact CE-CG 3.73Å; M336-L339 PolarHBondContact O-N 3.08Å; M336-L339 HydrophobicContact SD-CD1 3.52Å; M336-L339 VanDerWaalsContact SD-CD1 3.52Å; M336-L339 HydrophobicContact SD-CG 4.34Å | ||
| 337 | S | 53.4 | Low | 44.7 | Very low | 59 Ų | 59 | 128.7 Ų | 128.7 | 41% | 0.413 | 71% | 0.709 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.4 | -15.3 | 178.8 | 46.4 | 0 | 0 | 0 | 0 | 113.6 | D335 T340 | D335-S337 PolarHBondContact O-N 3.28Å; D335-S337 VanDerWaalsContact O-N 3.14Å; D335-S337 WeakPolarHBondContact OD2-CB 3.27Å; D335-S337 PolarHBondContact OD2-OG 3.26Å; S337-T340 PolarHBondContact O-OG1 2.83Å |
| 338 | W | 50.7 | Low | 45.1 | Very low | 167 Ų | 167 | 132.3 Ų | 132.3 | 63% | 0.633 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -22.6 | 176.1 | 73.8 | -79.8 | 0 | 0 | 0 | 114.5 | M336 | M336-W338 HydrophobicContact CE-CZ2 4.35Å; M336-W338 PolarHBondContact O-N 2.93Å; M336-W338 VanDerWaalsContact O-N 3.15Å |
| 339 | L | 47.2 | Very low | 45.4 | Very low | 62 Ų | 62 | 129.6 Ų | 129.6 | 33% | 0.325 | 71% | 0.711 | S | S | . | * | G | 310 helix | trans | -76 | -27.1 | 175.5 | -73.4 | -171.5 | 0 | 0 | 0 | 112.3 | M336 L341 | M336-L339 HydrophobicContact CE-CD1 3.17Å; M336-L339 HydrophobicContact CE-CG 3.73Å; M336-L339 PolarHBondContact O-N 3.08Å; M336-L339 HydrophobicContact SD-CD1 3.52Å; M336-L339 VanDerWaalsContact SD-CD1 3.52Å; M336-L339 HydrophobicContact SD-CG 4.34Å; L339-L341 PolarHBondContact O-N 3.22Å |
| 340 | T | 49.7 | Very low | 46.1 | Very low | 112 Ų | 112 | 130.2 Ų | 130.2 | 69% | 0.687 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -70.6 | -13.3 | 177.2 | 24.5 | 0 | 0 | 0 | 0 | 114.3 | S337 | S337-T340 PolarHBondContact O-OG1 2.83Š|
| 341 | L | 50.5 | Low | 46.7 | Very low | 153 Ų | 153 | 130.7 Ų | 130.7 | 80% | 0.801 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -99.9 | -2.3 | -178.8 | -71.5 | 170.1 | 0 | 0 | 0 | 114.1 | L339 | L339-L341 PolarHBondContact O-N 3.22Š|
| 342 | T | 50.4 | Low | 47.3 | Very low | 101 Ų | 101 | 127 Ų | 127 | 62% | 0.62 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.3 | 2.1 | -173.6 | 56.4 | 0 | 0 | 0 | 0 | 114.8 | ||
| 343 | L | 44.8 | Very low | 48.1 | Very low | 129 Ų | 129 | 127.5 Ų | 127.5 | 68% | 0.675 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -103.7 | 126.5 | 175.4 | -80.8 | 154.5 | 0 | 0 | 0 | 110.3 | E345 | L343-E345 PolarHBondContact O-N 3.25Š|
| 344 | P | 43.4 | Very low | 49 | Very low | 112 Ų | 112 | 125.1 Ų | 125.1 | 73% | 0.727 | 68% | 0.679 | S | S | * | * | trans | -55.8 | 137.9 | 165.6 | -18 | 29.6 | 0 | 0 | 0 | 109.8 | Q346 | P344-Q346 PolarHBondContact O-N 2.85Š| ||
| 345 | E | 46.5 | Very low | 50.1 | Low | 206 Ų | 206 | 124.5 Ų | 124.5 | 96% | 0.963 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -72.1 | 20.6 | -168.3 | -146.4 | 175.9 | -179.3 | 0 | 0 | 114.8 | L343 | L343-E345 PolarHBondContact O-N 3.25Š|
| 346 | Q | 49.7 | Very low | 50.5 | Low | 163 Ų | 163 | 123.4 Ų | 123.4 | 76% | 0.762 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -142.6 | 118.3 | 179.4 | -155.9 | 170.1 | -4 | 0 | 0 | 109.9 | P344 E348 | P344-Q346 PolarHBondContact O-N 2.85Å; Q346-E348 PolarHBondContact O-N 2.84Å |
| 347 | P | 45.9 | Very low | 50.9 | Low | 128 Ų | 128 | 120.9 Ų | 120.9 | 83% | 0.831 | 67% | 0.667 | S | S | * | * | trans | -67.5 | 106.4 | 172.3 | 23.4 | -24 | 0 | 0 | 0 | 107.9 | A349 | P347-A349 PolarHBondContact O-N 2.86Š| ||
| 348 | E | 53.5 | Low | 51.2 | Low | 189 Ų | 189 | 120.7 Ų | 120.7 | 88% | 0.883 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 125.9 | 171.7 | -163.2 | 169.8 | -167.5 | 0 | 0 | 108.1 | Q346 | Q346-E348 PolarHBondContact O-N 2.84Š|
| 349 | A | 53.3 | Low | 51.5 | Low | 81 Ų | 81 | 120.9 Ų | 120.9 | 67% | 0.669 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 143.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | P347 | P347-A349 PolarHBondContact O-N 2.86Š|
| 350 | P | 53.3 | Low | 52 | Low | 116 Ų | 116 | 124.8 Ų | 124.8 | 75% | 0.753 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -57 | 146.9 | 175.5 | 24.1 | -32.7 | 0 | 0 | 0 | 110.4 | ||
| 351 | P | 52.8 | Low | 52.3 | Low | 112 Ų | 112 | 124 Ų | 124 | 73% | 0.727 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 144.6 | -177.5 | 21.9 | -32.1 | 0 | 0 | 0 | 111.6 | Y353 | P351-Y353 PolarHBondContact O-N 2.78Š|
| 352 | N | 54.6 | Low | 52.5 | Low | 103 Ų | 103 | 123.6 Ų | 123.6 | 55% | 0.551 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 133.2 | -178.8 | -170.1 | -41.9 | 0 | 0 | 0 | 109.9 | A354 D355 | N352-A354 PolarHBondContact O-N 3.29Å; N352-A354 VanDerWaalsContact O-N 3.13Å; N352-A354 WeakPolarHBondContact OD1-CB 3.01Å; N352-A354 PolarHBondContact OD1-N 3.37Å; N352-D355 WeakPolarHBondContact O-CB 3.06Å; N352-D355 PolarHBondContact O-N 2.83Å |
| 353 | Y | 48.6 | Very low | 52.8 | Low | 177 Ų | 177 | 122.7 Ų | 122.7 | 69% | 0.694 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -59.7 | -25.9 | -178.1 | -158.5 | -92.8 | 0 | 0 | 0 | 113 | P351 D355 V356 V357 | P351-Y353 PolarHBondContact O-N 2.78Å; Y353-D355 PolarHBondContact O-N 3.09Å; Y353-V356 PolarHBondContact O-N 3.31Å; Y353-V357 HydrophobicContact CE1-CG2 4.11Å |
| 354 | A | 57.2 | Low | 53.2 | Low | 74 Ų | 74 | 125.2 Ų | 125.2 | 61% | 0.612 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -65.9 | -19.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | N352 V356 | N352-A354 PolarHBondContact O-N 3.29Å; N352-A354 VanDerWaalsContact O-N 3.13Å; N352-A354 WeakPolarHBondContact OD1-CB 3.01Å; N352-A354 PolarHBondContact OD1-N 3.37Å; A354-V356 VanDerWaalsContact C-N 3.34Å |
| 355 | D | 57.8 | Low | 53.5 | Low | 136 Ų | 136 | 127.5 Ų | 127.5 | 73% | 0.727 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -86.4 | -7.1 | 179.9 | -61.8 | -37 | 0 | 0 | 0 | 112.8 | N352 Y353 | N352-D355 WeakPolarHBondContact O-CB 3.06Å; N352-D355 PolarHBondContact O-N 2.83Å; Y353-D355 PolarHBondContact O-N 3.09Å |
| 356 | V | 55.5 | Low | 53.6 | Low | 103 Ų | 103 | 122.9 Ų | 122.9 | 62% | 0.624 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.4 | -13.7 | -172.3 | -150.6 | 0 | 0 | 0 | 0 | 112.9 | Y353 A354 | Y353-V356 PolarHBondContact O-N 3.31Å; A354-V356 VanDerWaalsContact C-N 3.34Å |
| 357 | V | 50.2 | Low | 53.3 | Low | 55 Ų | 55 | 119.2 Ų | 119.2 | 33% | 0.333 | 64% | 0.641 | S | S | . | * | S | Bend | trans | -130.4 | 113.6 | 179.1 | -175.2 | 0 | 0 | 0 | 0 | 108.7 | Y353 E361 | Y353-V357 HydrophobicContact CE1-CG2 4.11Å; V357-E361 HydrophobicContact CG1-CB 4.14Å |
| 358 | S | 59.1 | Low | 53.1 | Low | 55 Ų | 55 | 118.9 Ų | 118.9 | 39% | 0.385 | 64% | 0.641 | S | S | . | * | trans | -70.2 | 149.1 | 175.2 | 65 | 0 | 0 | 0 | 0 | 110.9 | E360 E361 F362 | S358-E360 PolarHBondContact O-N 2.88Å; S358-E361 PolarHBondContact O-N 2.73Å; S358-F362 PolarHBondContact O-N 3.5Å | ||
| 359 | E | 58.2 | Low | 52.5 | Low | 171 Ų | 171 | 119.6 Ų | 119.6 | 80% | 0.799 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -55.1 | -22.6 | 178.5 | -68.2 | -173.7 | 152.1 | 0 | 0 | 112.9 | S363 | E359-S363 WeakPolarHBondContact O-CB 3.34Å; E359-S363 PolarHBondContact O-N 2.89Å; E359-S363 VanDerWaalsContact O-N 3.12Å; E359-S363 PolarHBondContact O-OG 2.91Å |
| 360 | E | 57 | Low | 51.8 | Low | 145 Ų | 145 | 121.4 Ų | 121.4 | 68% | 0.678 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -76.7 | -24.8 | 178.7 | -65 | 151.6 | 168.2 | 0 | 0 | 113.7 | S358 R364 | S358-E360 PolarHBondContact O-N 2.88Å; E360-R364 PolarHBondContact O-NE 2.86Å |
| 361 | E | 56.9 | Low | 51.2 | Low | 95 Ų | 95 | 124.8 Ų | 124.8 | 44% | 0.444 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -84.2 | -34.8 | 172.3 | -102.5 | 169.6 | 170.4 | 0 | 0 | 111.7 | V357 S358 R364 H365 | V357-E361 HydrophobicContact CG1-CB 4.14Å; S358-E361 PolarHBondContact O-N 2.73Å; E361-R364 PolarHBondContact O-N 3.39Å; E361-H365 PolarHBondContact O-CD2 2.62Å |
| 362 | F | 54.2 | Low | 50.5 | Low | 145 Ų | 145 | 125 Ų | 125 | 64% | 0.636 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -63.3 | -42.6 | 173.1 | -170.2 | -101.1 | 0 | 0 | 0 | 111.7 | S358 R364 H365 | S358-F362 PolarHBondContact O-N 3.5Å; F362-R364 VanDerWaalsContact C-N 3.28Å; F362-R364 PolarHBondContact O-N 3.19Å; F362-H365 PolarHBondContact O-N 2.67Å |
| 363 | S | 55.8 | Low | 49.8 | Very low | 81 Ų | 81 | 126.1 Ų | 126.1 | 57% | 0.566 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -68.6 | -22.2 | -179.6 | -58.6 | 0 | 0 | 0 | 0 | 114 | E359 H365 | E359-S363 WeakPolarHBondContact O-CB 3.34Å; E359-S363 PolarHBondContact O-N 2.89Å; E359-S363 VanDerWaalsContact O-N 3.12Å; E359-S363 PolarHBondContact O-OG 2.91Å; S363-H365 VanDerWaalsContact C-N 3.33Å |
| 364 | R | 54.3 | Low | 49.2 | Very low | 183 Ų | 183 | 125.6 Ų | 125.6 | 69% | 0.691 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -79.1 | -13.5 | 177.1 | -86.7 | -172.5 | -84.8 | 167.7 | -4.4 | 113.9 | E360 E361 F362 | E360-R364 PolarHBondContact O-NE 2.86Å; E361-R364 PolarHBondContact O-N 3.39Å; F362-R364 VanDerWaalsContact C-N 3.28Å; F362-R364 PolarHBondContact O-N 3.19Å |
| 365 | H | 49.4 | Very low | 48.5 | Very low | 160 Ų | 160 | 127.8 Ų | 127.8 | 74% | 0.741 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -111.5 | 12.9 | -174.8 | -76.1 | -54.6 | 0 | 0 | 0 | 114.8 | E361 F362 S363 P367 | E361-H365 PolarHBondContact O-CD2 2.62Å; F362-H365 PolarHBondContact O-N 2.67Å; S363-H365 VanDerWaalsContact C-N 3.33Å; H365-P367 VanDerWaalsContact O-CD 3.26Å; H365-P367 WeakPolarHBondContact O-CD 2.95Å |
| 366 | I | 48.3 | Very low | 47.6 | Very low | 109 Ų | 109 | 131 Ų | 131 | 56% | 0.559 | 69% | 0.692 | S | S | * | * | trans | -84.6 | 111.6 | 171.3 | -57.3 | 177.3 | 0 | 0 | 0 | 108.9 | S368 | I366-S368 PolarHBondContact O-N 3.48Š| ||
| 367 | P | 42.8 | Very low | 46.7 | Very low | 86 Ų | 86 | 129.9 Ų | 129.9 | 56% | 0.558 | 70% | 0.701 | S | S | * | * | trans | -72.1 | 130.6 | 169.6 | -5.8 | 24.3 | 0 | 0 | 0 | 108.7 | H365 Y369 | H365-P367 VanDerWaalsContact O-CD 3.26Å; H365-P367 WeakPolarHBondContact O-CD 2.95Å; P367-Y369 PolarHBondContact O-N 3.28Å | ||
| 368 | S | 42.4 | Very low | 46.1 | Very low | 120 Ų | 120 | 136.2 Ų | 136.2 | 84% | 0.839 | 73% | 0.727 | S | S | * | * | trans | -70.3 | 109.5 | 171.8 | -20.8 | 0 | 0 | 0 | 0 | 108.8 | I366 | I366-S368 PolarHBondContact O-N 3.48Š| ||
| 369 | Y | 40.8 | Very low | 45.3 | Very low | 205 Ų | 205 | 139.5 Ų | 139.5 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 133.2 | 173.3 | -75.5 | -85.6 | 0 | 0 | 0 | 110.7 | P367 | P367-Y369 PolarHBondContact O-N 3.28Š|
| 370 | P | 39.3 | Very low | 44.3 | Very low | 118 Ų | 118 | 137.1 Ų | 137.1 | 77% | 0.766 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -76 | 142.2 | 164 | 9.6 | 3.7 | 0 | 0 | 0 | 110.7 | ||
| 371 | Q | 39.9 | Very low | 43.4 | Very low | 187 Ų | 187 | 136.3 Ų | 136.3 | 87% | 0.874 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 142 | 172.1 | -105.2 | 178.2 | -41.2 | 0 | 0 | 111.7 | ||
| 372 | P | 39.1 | Very low | 42.6 | Very low | 118 Ų | 118 | 136.4 Ų | 136.4 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 138.7 | 177.4 | 30.8 | -31.5 | 0 | 0 | 0 | 111.1 | ||
| 373 | P | 38.3 | Very low | 42.1 | Very low | 125 Ų | 125 | 137.4 Ų | 137.4 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 155.2 | 161.5 | 32.1 | -29.2 | 0 | 0 | 0 | 110.7 | ||
| 374 | N | 37.3 | Very low | 41.5 | Very low | 167 Ų | 167 | 141.4 Ų | 141.4 | 89% | 0.893 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -46.4 | 146.5 | -175 | -100.8 | -22.1 | 0 | 0 | 0 | 115.6 | ||
| 375 | C | 42.1 | Very low | 40.9 | Very low | 119 Ų | 119 | 136 Ų | 136 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 144.7 | 172.8 | -62.5 | 0 | 0 | 0 | 0 | 113.1 | ||
| 376 | E | 39.3 | Very low | 40.6 | Very low | 205 Ų | 205 | 132.1 Ų | 132.1 | 96% | 0.958 | 76% | 0.764 | S | S | * | * | -175.8 | 129.3 | 119.5 | -73.8 | -141.3 | 123.3 | 0 | 0 | 109 | |||||
| 377 | G | 36.1 | Very low | 40.5 | Very low | 79 Ų | 79 | 131.9 Ų | 131.9 | 81% | 0.814 | 76% | 0.762 | S | S | * | * | trans | 120.1 | 104.5 | 163.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 378 | E | 38.6 | Very low | 40.5 | Very low | 187 Ų | 187 | 134 Ų | 134 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | trans | 21.7 | 120.8 | 151.4 | -90.7 | 176.4 | 132.2 | 0 | 0 | 123.1 | ||||
| 379 | V | 42.2 | Very low | 40.6 | Very low | 125 Ų | 125 | 134.7 Ų | 134.7 | 76% | 0.758 | 76% | 0.755 | S | S | * | * | trans | 55.9 | 102.1 | 134 | -172.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 380 | C | 35.7 | Very low | 40.9 | Very low | 121 Ų | 121 | 132.3 Ų | 132.3 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | 169.1 | 112.7 | 116.4 | -115.6 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 381 | C | 39.1 | Very low | 41.4 | Very low | 127 Ų | 127 | 135.3 Ų | 135.3 | 86% | 0.858 | 75% | 0.745 | S | S | * | * | trans | -115 | 117.6 | 163.6 | -99.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 382 | P | 39.7 | Very low | 41.7 | Very low | 97 Ų | 97 | 135.1 Ų | 135.1 | 63% | 0.63 | 74% | 0.742 | S | S | * | * | trans | -73.5 | 145 | 176.5 | 18.8 | -13.8 | 0 | 0 | 0 | 111 | F384 | P382-F384 PolarHBondContact O-N 3.27Š| ||
| 383 | M | 43 | Very low | 42 | Very low | 167 Ų | 167 | 136.3 Ų | 136.3 | 82% | 0.823 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.9 | 17.2 | 178.4 | -108.2 | -89.7 | -83.9 | 0 | 0 | 116.5 | ||
| 384 | F | 43.7 | Very low | 42.5 | Very low | 164 Ų | 164 | 135.2 Ų | 135.2 | 72% | 0.719 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.2 | -12.2 | -179.2 | -82.2 | -82.5 | 0 | 0 | 0 | 114.4 | P382 | P382-F384 PolarHBondContact O-N 3.27Š|
| 385 | A | 42.7 | Very low | 43 | Very low | 69 Ų | 69 | 132.6 Ų | 132.6 | 57% | 0.57 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -75 | -28.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | I387 | A385-I387 VanDerWaalsContact C-N 3.32Å; A385-I387 PolarHBondContact O-N 3.2Å |
| 386 | C | 43.3 | Very low | 43.5 | Very low | 80 Ų | 80 | 132.7 Ų | 132.7 | 54% | 0.541 | 72% | 0.721 | S | S | . | * | G | 310 helix | trans | -78.8 | -10.9 | -173.4 | -149.6 | 0 | 0 | 0 | 0 | 114.1 | ||
| 387 | I | 44.4 | Very low | 43.9 | Very low | 103 Ų | 103 | 131.1 Ų | 131.1 | 53% | 0.528 | 72% | 0.718 | S | S | . | * | G | 310 helix | trans | -93.6 | -16.6 | -174.3 | -58.4 | 173.2 | 0 | 0 | 0 | 112 | A385 | A385-I387 VanDerWaalsContact C-N 3.32Å; A385-I387 PolarHBondContact O-N 3.2Å |
| 388 | Q | 43.6 | Very low | 44.2 | Very low | 130 Ų | 130 | 138.5 Ų | 138.5 | 61% | 0.607 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -21 | -180 | -79 | -173.6 | -51.2 | 0 | 0 | 114.2 | F390 | Q388-F390 PolarHBondContact O-N 2.65Š|
| 389 | E | 44.9 | Very low | 44.8 | Very low | 136 Ų | 136 | 133.6 Ų | 133.6 | 64% | 0.636 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -72 | -26.9 | -174.1 | -70.4 | 180 | 162.8 | 0 | 0 | 113.9 | ||
| 390 | F | 47.2 | Very low | 45.2 | Very low | 155 Ų | 155 | 137.2 Ų | 137.2 | 68% | 0.68 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -84.5 | -11.2 | -178.3 | -73.7 | -80.8 | 0 | 0 | 0 | 114.9 | Q388 F392 | Q388-F390 PolarHBondContact O-N 2.65Å; F390-F392 VanDerWaalsContact C-N 3.27Å; F390-F392 PolarHBondContact O-N 3.34Å |
| 391 | R | 50.3 | Low | 46.1 | Very low | 181 Ų | 181 | 137.1 Ų | 137.1 | 68% | 0.683 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -77.6 | -13.7 | -177.3 | -76.4 | -162.8 | -178.8 | 126.9 | 1.4 | 114.1 | ||
| 392 | F | 45.4 | Very low | 46.8 | Very low | 183 Ų | 183 | 136 Ų | 136 | 80% | 0.803 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -122.2 | 6.8 | -173.7 | -60.4 | -70.9 | 0 | 0 | 0 | 113.6 | F390 | F390-F392 VanDerWaalsContact C-N 3.27Å; F390-F392 PolarHBondContact O-N 3.34Å |
| 393 | Q | 46 | Very low | 47.5 | Very low | 142 Ų | 142 | 136.5 Ų | 136.5 | 66% | 0.664 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -97.6 | 134.9 | 171.3 | -66.8 | -157.1 | -19.4 | 0 | 0 | 110.2 | ||
| 394 | P | 48.4 | Very low | 47.5 | Very low | 102 Ų | 102 | 135.8 Ų | 135.8 | 66% | 0.662 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 145.3 | 169.5 | 26.2 | -31.8 | 0 | 0 | 0 | 108.9 | ||
| 395 | P | 46.8 | Very low | 48.1 | Very low | 113 Ų | 113 | 132.8 Ų | 132.8 | 73% | 0.734 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 147.3 | 177.6 | 23.2 | -31.7 | 0 | 0 | 0 | 110.2 | L397 | P395-L397 PolarHBondContact O-N 2.91Š|
| 396 | P | 53.1 | Low | 48.2 | Very low | 121 Ų | 121 | 134.2 Ų | 134.2 | 79% | 0.786 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 141.4 | 177.8 | 23.9 | -32.5 | 0 | 0 | 0 | 110 | Y398 | P396-Y398 PolarHBondContact O-N 2.92Š|
| 397 | L | 47.9 | Very low | 48.3 | Very low | 172 Ų | 172 | 138.7 Ų | 138.7 | 90% | 0.901 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 134.6 | 177.8 | -72.5 | 165.3 | 0 | 0 | 0 | 109.7 | P395 A399 | P395-L397 PolarHBondContact O-N 2.91Å; L397-A399 PolarHBondContact O-N 3.04Å; L397-A399 VanDerWaalsContact O-N 3.15Å |
| 398 | Y | 42.7 | Very low | 48.3 | Very low | 234 Ų | 234 | 139.7 Ų | 139.7 | 92% | 0.918 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 120.4 | 173.3 | -81.7 | -86.5 | 0 | 0 | 0 | 108.8 | P396 | P396-Y398 PolarHBondContact O-N 2.92Š|
| 399 | A | 51.1 | Low | 48.2 | Very low | 83 Ų | 83 | 142.4 Ų | 142.4 | 69% | 0.686 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 126.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | L397 V401 | L397-A399 PolarHBondContact O-N 3.04Å; L397-A399 VanDerWaalsContact O-N 3.15Å; A399-V401 PolarHBondContact O-N 3.32Å |
| 400 | E | 51.1 | Low | 47.8 | Very low | 202 Ų | 202 | 145 Ų | 145 | 94% | 0.944 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -66.7 | -12.1 | 175.3 | -70.6 | -174.6 | 158.4 | 0 | 0 | 112.9 | ||
| 401 | V | 54.6 | Low | 47.3 | Very low | 119 Ų | 119 | 144.4 Ų | 144.4 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -102.3 | 115.1 | 179.9 | -175.6 | 0 | 0 | 0 | 0 | 109.1 | A399 P403 | A399-V401 PolarHBondContact O-N 3.32Å; V401-P403 WeakPolarHBondContact O-CD 3.21Å |
| 402 | D | 53.3 | Low | 46.7 | Very low | 103 Ų | 103 | 144.5 Ų | 144.5 | 55% | 0.551 | 78% | 0.776 | S | S | * | * | trans | -61.7 | 120.6 | 172.9 | -175.6 | -6.3 | 0 | 0 | 0 | 109.7 | H404 | D402-H404 PolarHBondContact O-N 3.25Å; D402-H404 PolarHBondContact OD1-N 2.99Å | ||
| 403 | P | 55.1 | Low | 46.4 | Very low | 107 Ų | 107 | 141.7 Ų | 141.7 | 70% | 0.695 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -68.8 | -6.2 | 178.7 | 25.5 | -31.6 | 0 | 0 | 0 | 114.2 | V401 | V401-P403 WeakPolarHBondContact O-CD 3.21Š|
| 404 | H | 42.6 | Very low | 45.9 | Very low | 152 Ų | 152 | 140.9 Ų | 140.9 | 70% | 0.704 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -133.5 | 68.9 | 177.1 | -58.5 | 85.6 | 0 | 0 | 0 | 112.3 | D402 S406 | D402-H404 PolarHBondContact O-N 3.25Å; D402-H404 PolarHBondContact OD1-N 2.99Å; H404-S406 PolarHBondContact O-N 3.02Å |
| 405 | P | 55.2 | Low | 45.2 | Very low | 101 Ų | 101 | 141.1 Ų | 141.1 | 66% | 0.656 | 78% | 0.784 | S | S | * | * | trans | -63.4 | 127.9 | 178 | 27.5 | -32.8 | 0 | 0 | 0 | 110.2 | D407 | P405-D407 PolarHBondContact O-N 2.83Š| ||
| 406 | S | 44.5 | Very low | 44.7 | Very low | 100 Ų | 100 | 145.1 Ų | 145.1 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | trans | -70.9 | 122.2 | 172 | 44.8 | 0 | 0 | 0 | 0 | 110.1 | H404 V408 | H404-S406 PolarHBondContact O-N 3.02Å; S406-V408 PolarHBondContact O-N 3.17Å; S406-V408 VanDerWaalsContact O-N 3.14Å | ||
| 407 | D | 45.9 | Very low | 44 | Very low | 174 Ų | 174 | 146.5 Ų | 146.5 | 93% | 0.93 | 79% | 0.79 | S | S | * | * | trans | -58.3 | 114.7 | 173.5 | -78 | -39.5 | 0 | 0 | 0 | 110.1 | P405 | P405-D407 PolarHBondContact O-N 2.83Š| ||
| 408 | V | 44.8 | Very low | 43.6 | Very low | 123 Ų | 123 | 149.7 Ų | 149.7 | 75% | 0.745 | 81% | 0.807 | S | S | * | * | trans | -101.7 | 116.3 | 172.3 | 180 | 0 | 0 | 0 | 0 | 107.7 | S406 E410 | S406-V408 PolarHBondContact O-N 3.17Å; S406-V408 VanDerWaalsContact O-N 3.14Å; V408-E410 PolarHBondContact O-N 3.06Å | ||
| 409 | E | 40.6 | Very low | 43.6 | Very low | 187 Ų | 187 | 145.5 Ų | 145.5 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -60.5 | 116 | 167 | -90.6 | -177.7 | 139.7 | 0 | 0 | 109.9 | T411 | E409-T411 PolarHBondContact O-N 2.89Š| ||
| 410 | E | 36.9 | Very low | 43.2 | Very low | 192 Ų | 192 | 148.8 Ų | 148.8 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | trans | -60.5 | 115.5 | 172.1 | -76.2 | -175.7 | 142.1 | 0 | 0 | 110.7 | V408 | V408-E410 PolarHBondContact O-N 3.06Š| ||
| 411 | T | 37.7 | Very low | 42.8 | Very low | 141 Ų | 141 | 145.8 Ų | 145.8 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 119.4 | 164.6 | 12 | 0 | 0 | 0 | 0 | 108.5 | E409 | E409-T411 PolarHBondContact O-N 2.89Š|
| 412 | Q | 36.4 | Very low | 42.1 | Very low | 184 Ų | 184 | 147.4 Ų | 147.4 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 143.7 | -178 | -77.8 | 175.5 | -25.8 | 0 | 0 | 114.1 | ||
| 413 | P | 39.2 | Very low | 41.4 | Very low | 123 Ų | 123 | 150.2 Ų | 150.2 | 80% | 0.799 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 129.7 | 169.2 | 30.4 | -30.1 | 0 | 0 | 0 | 112.2 | ||
| 414 | V | 36.5 | Very low | 40.5 | Very low | 125 Ų | 125 | 153.1 Ų | 153.1 | 76% | 0.758 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 123.9 | 168.8 | -178.5 | 0 | 0 | 0 | 0 | 109.2 | ||
| 415 | S | 34.2 | Very low | 40.3 | Very low | 107 Ų | 107 | 153.1 Ų | 153.1 | 75% | 0.748 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 122.3 | 176.5 | -4.2 | 0 | 0 | 0 | 0 | 110.2 | ||
| 416 | F | 36.4 | Very low | 39.2 | Very low | 197 Ų | 197 | 157.2 Ų | 157.2 | 86% | 0.864 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 123.8 | 160.7 | -76 | -86.8 | 0 | 0 | 0 | 108.7 | ||
| 417 | I | 37.4 | Very low | 38.7 | Very low | 150 Ų | 150 | 161.9 Ų | 161.9 | 77% | 0.769 | 86% | 0.864 | S | S | * | * | trans | -131 | 118.6 | 162.7 | -66 | -179.4 | 0 | 0 | 0 | 108.2 | ||||
| 418 | L | 38.8 | Very low | 38.1 | Very low | 240 Ų | 240 | 160.8 Ų | 160.8 | 100% | 1.257 | 86% | 0.858 | S | S | * | * | trans | 57.5 | 0 | 163.9 | -75.4 | 157.4 | 0 | 0 | 0 | 119.6 |
Retrieved 418 of 418 residues in 935.5 ms
(Link to these results)