| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.5 | Very low | 51.7 | Low | 241 Ų | 241 | 114.9 Ų | 114.9 | 100% | 1.187 | 70% | 0.704 | S | S | * | * | 0 | 116 | 0 | -58.5 | -49.5 | -174.9 | 0 | 0 | 106.5 | |||||
| 2 | A | 43.5 | Very low | 53.7 | Low | 105 Ų | 105 | 107 Ų | 107 | 87% | 0.868 | 65% | 0.653 | S | S | * | * | trans | -86.1 | 126.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 107 | A4 | A2-A4 PolarHBondContact O-N 2.88Š| ||
| 3 | E | 41.5 | Very low | 55.5 | Low | 194 Ų | 194 | 103.5 Ų | 103.5 | 91% | 0.907 | 62% | 0.623 | S | S | * | * | trans | -66.3 | 124.9 | 179.5 | -159.3 | 129.9 | 113.5 | 0 | 0 | 109 | A5 | E3-A5 PolarHBondContact O-N 2.72Å; E3-A5 VanDerWaalsContact O-N 3.07Å | ||
| 4 | A | 41.2 | Very low | 57 | Low | 93 Ų | 93 | 96.1 Ų | 96.1 | 77% | 0.769 | 58% | 0.579 | S | S | * | * | trans | -70.9 | 106 | 175.2 | 0 | 0 | 0 | 0 | 0 | 108 | A2 A6 | A2-A4 PolarHBondContact O-N 2.88Å; A4-A6 PolarHBondContact O-N 2.97Å | ||
| 5 | A | 46.4 | Very low | 58 | Low | 94 Ų | 94 | 96.3 Ų | 96.3 | 78% | 0.777 | 57% | 0.571 | S | S | * | * | trans | -57.1 | 109.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | E3 V7 | E3-A5 PolarHBondContact O-N 2.72Å; E3-A5 VanDerWaalsContact O-N 3.07Å; A5-V7 PolarHBondContact O-N 3.07Å; A5-V7 VanDerWaalsContact O-N 3.16Å | ||
| 6 | A | 51.8 | Low | 58.7 | Low | 94 Ų | 94 | 93.2 Ų | 93.2 | 78% | 0.777 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 119.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | A4 | A4-A6 PolarHBondContact O-N 2.97Š|
| 7 | V | 54.8 | Low | 59.1 | Low | 111 Ų | 111 | 89.1 Ų | 89.1 | 67% | 0.673 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 126.2 | 172.7 | 178.5 | 0 | 0 | 0 | 0 | 107.1 | A5 | A5-V7 PolarHBondContact O-N 3.07Å; A5-V7 VanDerWaalsContact O-N 3.16Å |
| 8 | P | 56 | Low | 59.8 | Low | 86 Ų | 86 | 90.9 Ų | 90.9 | 56% | 0.558 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 143.7 | -178.9 | 24.1 | -33.4 | 0 | 0 | 0 | 110.2 | H10 | P8-H10 PolarHBondContact O-N 3.36Š|
| 9 | P | 60.3 | Low | 60.3 | Low | 92 Ų | 92 | 87.4 Ų | 87.4 | 60% | 0.597 | 52% | 0.517 | S | S | * | . | trans | -68.6 | 106 | 177.5 | 28.6 | -32.5 | 0 | 0 | 0 | 108.8 | R11 | P9-R11 VanDerWaalsContact C-N 3.35Å; P9-R11 PolarHBondContact O-N 3.02Å | ||
| 10 | H | 62.6 | Low | 60.9 | Low | 65 Ų | 65 | 90.5 Ų | 90.5 | 30% | 0.301 | 53% | 0.526 | S | S | . | . | trans | -58.3 | 99.7 | 170.5 | -53.2 | -94.6 | 0 | 0 | 0 | 108.6 | P8 F12 K24 E40 | P8-H10 PolarHBondContact O-N 3.36Å; H10-F12 HydrophobicContact CB-CD2 4.46Å; H10-F12 HydrophobicContact CB-CE2 3.76Å; H10-F12 HydrophobicContact CB-CZ 4.02Å; H10-F12 WeakPolarHBondContact O-CD2 3.16Å; H10-K24 WeakPolarHBondContact CD2-CE 3.48Å; H10-K24 PolarHBondContact CD2-NZ 3.29Å; H10-K24 PolarHBondContact NE2-NZ 2.97Å; H10-E40 IonicContact CE1-OE1 2.71Å; H10-E40 IonicContact CG-OE1 3.44Å; H10-E40 IonicContact ND1-OE1 3.73Å; H10-E40 PolarHBondContact ND1-OE1 3.28Å | ||
| 11 | R | 71.3 | Confident | 61.3 | Low | 89 Ų | 89 | 86.9 Ų | 86.9 | 34% | 0.336 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 141.9 | 173.2 | 64 | -179.3 | 71.5 | 177.4 | 1.2 | 108 | P9 V41 E43 | P9-R11 VanDerWaalsContact C-N 3.35Å; P9-R11 PolarHBondContact O-N 3.02Å; R11-V41 HydrophobicContact CG-CB 4.03Å; R11-V41 WeakPolarHBondContact CG-O 3.23Å; R11-V41 PolarHBondContact O-N 3.06Å; R11-E43 VanDerWaalsContact CZ-CD 3.48Å; R11-E43 IonicContact CZ-OE1 3.74Å; R11-E43 IonicContact CZ-OE2 3.6Å; R11-E43 IonicContact NH1-OE1 3.49Å; R11-E43 IonicContact NH2-OE1 2.88Å; R11-E43 PolarHBondContact NH2-OE1 3.4Å; R11-E43 IonicContact NH2-OE2 3.5Å; R11-E43 PolarHBondContact NH2-OE2 3.09Å |
| 12 | F | 75.5 | Confident | 62.3 | Low | 20 Ų | 20 | 82 Ų | 82 | 9% | 0.088 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 123.8 | -164.9 | -83.6 | -59.3 | 0 | 0 | 0 | 107.3 | H10 E20 V21 K24 Y28 I38 E39 E40 | H10-F12 HydrophobicContact CB-CD2 4.46Å; H10-F12 HydrophobicContact CB-CE2 3.76Å; H10-F12 HydrophobicContact CB-CZ 4.02Å; H10-F12 WeakPolarHBondContact O-CD2 3.16Å; F12-E20 CarbonylContact O-C 3.6Å; F12-E20 WeakPolarHBondContact O-CA 3.36Å; F12-V21 WeakPolarHBondContact CB-O 3.44Å; F12-V21 PolarHBondContact O-N 3.32Å; F12-K24 HydrophobicContact CE2-CG 4.31Å; F12-Y28 HydrophobicContact CE1-CD1 4.41Å; F12-Y28 HydrophobicContact CE1-CE1 4.15Å; F12-I38 HydrophobicContact CB-CG2 3.37Å; F12-I38 HydrophobicContact CD1-CG2 3.48Å; F12-I38 VanDerWaalsContact CD1-CG2 3.48Å; F12-I38 HydrophobicContact CG-CG2 3.74Å; F12-E39 CarbonylContact C-O 3.27Å; F12-E39 WeakPolarHBondContact CA-O 3.23Å; F12-E40 HydrophobicContact CD1-CB 4.22Å; F12-E40 HydrophobicContact CE1-CB 3.88Å; F12-E40 HydrophobicContact CE1-CG 4.19Å |
| 13 | F | 76.9 | Confident | 63.5 | Low | 61 Ų | 61 | 80.8 Ų | 80.8 | 27% | 0.268 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 132.5 | -177.6 | -170.8 | -96.5 | 0 | 0 | 0 | 110.5 | H15 K18 E20 I38 E39 V41 | F13-H15 AromaticContact CD1-CE1 3.92Å; F13-H15 AromaticContact CD1-ND1 3.85Å; F13-H15 AromaticContact CE1-ND1 3.74Å; F13-K18 VanDerWaalsContact CZ-C 3.4Å; F13-E20 HydrophobicContact CD2-CG 4.42Å; F13-I38 WeakPolarHBondContact O-CA 3.36Å; F13-E39 PolarHBondContact N-O 3.34Å; F13-E39 PolarHBondContact O-N 3.04Å; F13-V41 HydrophobicContact CB-CG2 3.95Å |
| 14 | C | 77.4 | Confident | 64.3 | Low | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 117.2 | 173.1 | -178.7 | 0 | 0 | 0 | 0 | 110 | C16 C17 K18 G19 V21 C30 | C14-C16 VanDerWaalsContact C-N 3.34Å; C14-C16 PolarHBondContact O-N 3.09Å; C14-C17 HydrophobicContact CB-CB 4.19Å; C14-C17 PolarHBondContact O-N 3.27Å; C14-K18 WeakPolarHBondContact O-CA 3.5Å; C14-K18 PolarHBondContact O-N 2.92Å; C14-G19 PolarHBondContact N-O 3.26Å; C14-G19 PolarHBondContact O-N 2.95Å; C14-V21 HydrophobicContact CB-CG2 3.77Å; C14-C30 HydrophobicContact CB-CB 4.02Å; C14-C30 WeakPolarHBondContact SG-CB 3.39Å |
| 15 | H | 71.9 | Confident | 65.1 | Low | 99 Ų | 99 | 78.5 Ų | 78.5 | 46% | 0.458 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -33.3 | 178.1 | -70.1 | -68 | 0 | 0 | 0 | 113.1 | F13 E39 | F13-H15 AromaticContact CD1-CE1 3.92Å; F13-H15 AromaticContact CD1-ND1 3.85Å; F13-H15 AromaticContact CE1-ND1 3.74Å; H15-E39 IonicContact CD2-OE2 3.65Å; H15-E39 IonicContact CE1-OE2 3.81Å; H15-E39 IonicContact NE2-OE2 2.72Å; H15-E39 PolarHBondContact NE2-OE2 3.24Å |
| 16 | C | 67.9 | Low | 65.7 | Low | 47 Ų | 47 | 79.7 Ų | 79.7 | 32% | 0.318 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -35.6 | 176.8 | -58 | 0 | 0 | 0 | 0 | 113 | C14 C239 C240 | C14-C16 VanDerWaalsContact C-N 3.34Å; C14-C16 PolarHBondContact O-N 3.09Å; C16-C239 CarbonylContact O-C 3.51Å; C16-C239 VanDerWaalsContact O-C 3.27Å; C16-C240 WeakPolarHBondContact O-CB 3.44Å; C16-C240 PolarHBondContact O-SG 2.73Å |
| 17 | C | 66.8 | Low | 66 | Low | 24 Ų | 24 | 82.1 Ų | 82.1 | 16% | 0.162 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | 2.5 | 178.4 | -61.1 | 0 | 0 | 0 | 0 | 113.4 | C14 G19 C33 | C14-C17 HydrophobicContact CB-CB 4.19Å; C14-C17 PolarHBondContact O-N 3.27Å; C17-G19 PolarHBondContact O-N 2.96Å; C17-C33 VanDerWaalsContact SG-SG 3.62Å |
| 18 | K | 70.7 | Confident | 66.6 | Low | 121 Ų | 121 | 83 Ų | 83 | 53% | 0.526 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 42.4 | 41.1 | -174.6 | -63 | 173.9 | -174.7 | 158.2 | 0 | 112.7 | F13 C14 C240 D249 | F13-K18 VanDerWaalsContact CZ-C 3.4Å; C14-K18 WeakPolarHBondContact O-CA 3.5Å; C14-K18 PolarHBondContact O-N 2.92Å; K18-C240 HydrophobicContact CD-CB 4.49Å; K18-C240 WeakPolarHBondContact CD-SG 3.45Å; K18-C240 WeakPolarHBondContact CE-SG 3.45Å; K18-D249 IonicContact NZ-OD1 3.61Å; K18-D249 IonicContact NZ-OD2 2.74Å |
| 19 | G | 68.8 | Low | 67.3 | Low | 24 Ų | 24 | 82.1 Ų | 82.1 | 25% | 0.247 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 158.5 | -168.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | C14 C17 | C14-G19 PolarHBondContact N-O 3.26Å; C14-G19 PolarHBondContact O-N 2.95Å; C17-G19 PolarHBondContact O-N 2.96Å |
| 20 | E | 72.5 | Confident | 68 | Low | 149 Ų | 149 | 77.7 Ų | 77.7 | 70% | 0.696 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 138.7 | 176.6 | -64.3 | -174.8 | 174.6 | 0 | 0 | 112 | F12 F13 | F12-E20 CarbonylContact O-C 3.6Å; F12-E20 WeakPolarHBondContact O-CA 3.36Å; F13-E20 HydrophobicContact CD2-CG 4.42Å |
| 21 | V | 69.8 | Low | 68.3 | Low | 16 Ų | 16 | 78 Ų | 78 | 10% | 0.097 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 143.5 | -177.8 | 178.5 | 0 | 0 | 0 | 0 | 108.9 | F12 C14 P31 I38 | F12-V21 WeakPolarHBondContact CB-O 3.44Å; F12-V21 PolarHBondContact O-N 3.32Å; C14-V21 HydrophobicContact CB-CG2 3.77Å; V21-P31 VanDerWaalsContact CG1-CD 3.43Å; V21-P31 HydrophobicContact CG1-CG 3.94Å; V21-I38 HydrophobicContact CB-CD1 4.48Å; V21-I38 HydrophobicContact CG1-CD1 3.96Å |
| 22 | N | 59.7 | Low | 68.1 | Low | 138 Ų | 138 | 83.5 Ų | 83.5 | 74% | 0.738 | 42% | 0.418 | S | S | * | . | trans | -153.8 | 122.3 | 177.1 | -170.6 | 8.6 | 0 | 0 | 0 | 106.1 | ||||
| 23 | P | 69.2 | Low | 67.7 | Low | 79 Ų | 79 | 83.4 Ų | 83.4 | 51% | 0.513 | 42% | 0.419 | S | S | . | . | S | Bend | cis | -134.7 | -168.1 | 35.6 | 41.7 | -23.5 | 0 | 0 | 0 | 115.7 | L25 | P23-L25 PolarHBondContact O-N 3.12Š|
| 24 | K | 58.1 | Low | 67 | Low | 148 Ų | 148 | 86.7 Ų | 86.7 | 64% | 0.643 | 44% | 0.44 | S | S | * | . | trans | -56.1 | 97 | 176.7 | -66.5 | -173.6 | 174.7 | -168.1 | 0 | 112.9 | H10 F12 | H10-K24 WeakPolarHBondContact CD2-CE 3.48Å; H10-K24 PolarHBondContact CD2-NZ 3.29Å; H10-K24 PolarHBondContact NE2-NZ 2.97Å; F12-K24 HydrophobicContact CE2-CG 4.31Å | ||
| 25 | L | 58.1 | Low | 66.2 | Low | 91 Ų | 91 | 91.3 Ų | 91.3 | 48% | 0.476 | 47% | 0.472 | S | S | . | . | trans | -99.4 | 146.4 | 164.6 | -67.1 | 174.9 | 0 | 0 | 0 | 110 | P23 E27 | P23-L25 PolarHBondContact O-N 3.12Å; L25-E27 PolarHBondContact O-N 3.05Å; L25-E27 VanDerWaalsContact O-N 3.13Å | ||
| 26 | P | 59.2 | Low | 65.6 | Low | 119 Ų | 119 | 86.6 Ų | 86.6 | 77% | 0.773 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -10.3 | -173.1 | 25.1 | -32.7 | 0 | 0 | 0 | 115.2 | ||
| 27 | E | 58.4 | Low | 65.2 | Low | 146 Ų | 146 | 91.4 Ų | 91.4 | 68% | 0.682 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.4 | 0.4 | -167.9 | -62 | -177.3 | 166 | 0 | 0 | 114.6 | L25 I29 | L25-E27 PolarHBondContact O-N 3.05Å; L25-E27 VanDerWaalsContact O-N 3.13Å; E27-I29 HydrophobicContact CB-CD1 3.88Å; E27-I29 HydrophobicContact CB-CG1 4.2Å; E27-I29 PolarHBondContact O-N 3.32Å |
| 28 | Y | 68.1 | Low | 65.3 | Low | 129 Ų | 129 | 90.8 Ų | 90.8 | 51% | 0.506 | 46% | 0.461 | S | S | . | . | trans | 56.6 | 29 | -178.8 | -62.6 | -96.3 | 0 | 0 | 0 | 115.3 | F12 I38 | F12-Y28 HydrophobicContact CE1-CD1 4.41Å; F12-Y28 HydrophobicContact CE1-CE1 4.15Å; Y28-I38 WeakPolarHBondContact O-CG1 3.42Å; Y28-I38 PolarHBondContact O-N 2.87Å | ||
| 29 | I | 70.6 | Confident | 65.4 | Low | 67 Ų | 67 | 89.5 Ų | 89.5 | 34% | 0.344 | 46% | 0.457 | S | S | . | . | B | Isolated β-bridge | trans | -98.5 | 133.4 | 179 | -62.3 | 166 | 0 | 0 | 0 | 110.4 | E27 I38 | E27-I29 HydrophobicContact CB-CD1 3.88Å; E27-I29 HydrophobicContact CB-CG1 4.2Å; E27-I29 PolarHBondContact O-N 3.32Å; I29-I38 WeakPolarHBondContact O-CD1 3.45Å |
| 30 | C | 73.6 | Confident | 65.5 | Low | 0 Ų | 0 | 92.2 Ų | 92.2 | 0% | 0 | 46% | 0.463 | C | S | . | . | trans | -69.1 | 122.1 | 176.3 | -178.5 | 0 | 0 | 0 | 0 | 112.7 | C14 R32 C33 D34 G36 I38 | C14-C30 HydrophobicContact CB-CB 4.02Å; C14-C30 WeakPolarHBondContact SG-CB 3.39Å; C30-R32 PolarHBondContact O-N 2.76Å; C30-C33 PolarHBondContact O-N 2.98Å; C30-D34 WeakPolarHBondContact O-CA 3.03Å; C30-D34 PolarHBondContact O-N 3.16Å; C30-G36 WeakPolarHBondContact CB-O 3.43Å; C30-G36 PolarHBondContact N-O 2.98Å; C30-G36 VanDerWaalsContact N-O 3.14Å; C30-I38 HydrophobicContact CB-CD1 4.49Å; C30-I38 HydrophobicContact CB-CG1 4.17Å | ||
| 31 | P | 70.8 | Confident | 65.3 | Low | 72 Ų | 72 | 87.8 Ų | 87.8 | 47% | 0.468 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 12.6 | -179.3 | 36.1 | -38.4 | 0 | 0 | 0 | 113.8 | V21 | V21-P31 VanDerWaalsContact CG1-CD 3.43Å; V21-P31 HydrophobicContact CG1-CG 3.94Å |
| 32 | R | 65.8 | Low | 64.8 | Low | 203 Ų | 203 | 90.3 Ų | 90.3 | 77% | 0.766 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.8 | -20.1 | 173.8 | -75.5 | -169.1 | 172.6 | -162.9 | -0.4 | 113.9 | C30 | C30-R32 PolarHBondContact O-N 2.76Š|
| 33 | C | 66.5 | Low | 64.7 | Low | 18 Ų | 18 | 89 Ų | 89 | 12% | 0.122 | 45% | 0.451 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -138.1 | -2.5 | -178.1 | 64.2 | 0 | 0 | 0 | 0 | 114.2 | C17 C30 S35 G36 | C17-C33 VanDerWaalsContact SG-SG 3.62Å; C30-C33 PolarHBondContact O-N 2.98Å; C33-S35 WeakPolarHBondContact O-CB 3.06Å; C33-S35 PolarHBondContact O-N 3.03Å; C33-S35 PolarHBondContact O-OG 2.84Å; C33-G36 PolarHBondContact SG-N 3.01Å |
| 34 | D | 63.2 | Low | 63.5 | Low | 130 Ų | 130 | 90.8 Ų | 90.8 | 70% | 0.695 | 46% | 0.457 | S | S | * | . | S | Bend | trans | 52.4 | 10.3 | 177.4 | -61.7 | -21.3 | 0 | 0 | 0 | 116.3 | C30 | C30-D34 WeakPolarHBondContact O-CA 3.03Å; C30-D34 PolarHBondContact O-N 3.16Å |
| 35 | S | 59.5 | Low | 62.9 | Low | 97 Ų | 97 | 88.4 Ų | 88.4 | 68% | 0.678 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -142.7 | -17 | -169.9 | 54.2 | 0 | 0 | 0 | 0 | 113.7 | C33 F37 | C33-S35 WeakPolarHBondContact O-CB 3.06Å; C33-S35 PolarHBondContact O-N 3.03Å; C33-S35 PolarHBondContact O-OG 2.84Å; S35-F37 PolarHBondContact O-N 3.49Å |
| 36 | G | 59.6 | Low | 62.3 | Low | 1 Ų | 1 | 89 Ų | 89 | 1% | 0.01 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -81.3 | 116.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | C30 C33 I38 | C30-G36 WeakPolarHBondContact CB-O 3.43Å; C30-G36 PolarHBondContact N-O 2.98Å; C30-G36 VanDerWaalsContact N-O 3.14Å; C33-G36 PolarHBondContact SG-N 3.01Å; G36-I38 PolarHBondContact O-N 3.03Å |
| 37 | F | 60.5 | Low | 61.6 | Low | 148 Ų | 148 | 90.9 Ų | 90.9 | 65% | 0.649 | 47% | 0.473 | S | S | * | . | B | Isolated β-bridge | trans | -52.8 | 132.4 | 162.7 | 173.4 | -95.3 | 0 | 0 | 0 | 110 | S35 E39 | S35-F37 PolarHBondContact O-N 3.49Å; F37-E39 HydrophobicContact CE1-CB 4.27Å |
| 38 | I | 69.2 | Low | 61.3 | Low | 11 Ų | 11 | 90.9 Ų | 90.9 | 6% | 0.056 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 125.9 | 177.1 | -59.4 | 179.2 | 0 | 0 | 0 | 109.6 | F12 F13 V21 Y28 I29 C30 G36 | F12-I38 HydrophobicContact CB-CG2 3.37Å; F12-I38 HydrophobicContact CD1-CG2 3.48Å; F12-I38 VanDerWaalsContact CD1-CG2 3.48Å; F12-I38 HydrophobicContact CG-CG2 3.74Å; F13-I38 WeakPolarHBondContact O-CA 3.36Å; V21-I38 HydrophobicContact CB-CD1 4.48Å; V21-I38 HydrophobicContact CG1-CD1 3.96Å; Y28-I38 WeakPolarHBondContact O-CG1 3.42Å; Y28-I38 PolarHBondContact O-N 2.87Å; I29-I38 WeakPolarHBondContact O-CD1 3.45Å; C30-I38 HydrophobicContact CB-CD1 4.49Å; C30-I38 HydrophobicContact CB-CG1 4.17Å; G36-I38 PolarHBondContact O-N 3.03Å |
| 39 | E | 71.3 | Confident | 60.5 | Low | 93 Ų | 93 | 94.7 Ų | 94.7 | 44% | 0.435 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 137.9 | 171.7 | -170.8 | 169.1 | -173.2 | 0 | 0 | 111.3 | F12 F13 H15 F37 | F12-E39 CarbonylContact C-O 3.27Å; F12-E39 WeakPolarHBondContact CA-O 3.23Å; F13-E39 PolarHBondContact N-O 3.34Å; F13-E39 PolarHBondContact O-N 3.04Å; H15-E39 IonicContact CD2-OE2 3.65Å; H15-E39 IonicContact CE1-OE2 3.81Å; H15-E39 IonicContact NE2-OE2 2.72Å; H15-E39 PolarHBondContact NE2-OE2 3.24Å; F37-E39 HydrophobicContact CE1-CB 4.27Å |
| 40 | E | 72.3 | Confident | 59.3 | Low | 81 Ų | 81 | 95.2 Ų | 95.2 | 38% | 0.379 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 115.1 | 171.8 | -177 | 175.5 | 179.2 | 0 | 0 | 109.4 | H10 F12 T42 | H10-E40 IonicContact CE1-OE1 2.71Å; H10-E40 IonicContact CG-OE1 3.44Å; H10-E40 IonicContact ND1-OE1 3.73Å; H10-E40 PolarHBondContact ND1-OE1 3.28Å; F12-E40 HydrophobicContact CD1-CB 4.22Å; F12-E40 HydrophobicContact CE1-CB 3.88Å; F12-E40 HydrophobicContact CE1-CG 4.19Å; E40-T42 HydrophobicContact CG-CG2 4.44Å; E40-T42 PolarHBondContact O-N 3.26Å |
| 41 | V | 67.4 | Low | 57.4 | Low | 57 Ų | 57 | 98.6 Ų | 98.6 | 35% | 0.345 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.7 | 95.1 | 177.6 | -176.2 | 0 | 0 | 0 | 0 | 108.7 | R11 F13 | R11-V41 HydrophobicContact CG-CB 4.03Å; R11-V41 WeakPolarHBondContact CG-O 3.23Å; R11-V41 PolarHBondContact O-N 3.06Å; F13-V41 HydrophobicContact CB-CG2 3.95Å |
| 42 | T | 59.1 | Low | 56.1 | Low | 68 Ų | 68 | 99.8 Ų | 99.8 | 42% | 0.417 | 57% | 0.572 | S | S | . | * | trans | -69.1 | 147.6 | 168.1 | 53 | 0 | 0 | 0 | 0 | 110.2 | E40 D44 | E40-T42 HydrophobicContact CG-CG2 4.44Å; E40-T42 PolarHBondContact O-N 3.26Å; T42-D44 VanDerWaalsContact CB-OD2 3.25Å; T42-D44 WeakPolarHBondContact CB-OD2 3.32Å; T42-D44 PolarHBondContact O-N 3.37Å; T42-D44 VanDerWaalsContact OG1-CG 3.28Å; T42-D44 PolarHBondContact OG1-OD2 2.98Å | ||
| 43 | E | 57.5 | Low | 55.1 | Low | 111 Ų | 111 | 98.1 Ų | 98.1 | 52% | 0.519 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -77.3 | 30.7 | -173.2 | -60.2 | -170 | 71.9 | 0 | 0 | 113.8 | R11 S45 | R11-E43 VanDerWaalsContact CZ-CD 3.48Å; R11-E43 IonicContact CZ-OE1 3.74Å; R11-E43 IonicContact CZ-OE2 3.6Å; R11-E43 IonicContact NH1-OE1 3.49Å; R11-E43 IonicContact NH2-OE1 2.88Å; R11-E43 PolarHBondContact NH2-OE1 3.4Å; R11-E43 IonicContact NH2-OE2 3.5Å; R11-E43 PolarHBondContact NH2-OE2 3.09Å; E43-S45 VanDerWaalsContact C-N 3.34Å; E43-S45 PolarHBondContact O-N 3.13Å |
| 44 | D | 44.8 | Very low | 54.1 | Low | 117 Ų | 117 | 100.5 Ų | 100.5 | 63% | 0.626 | 61% | 0.606 | S | S | * | * | trans | -90 | 1.3 | -170.1 | -39 | -29.8 | 0 | 0 | 0 | 112.4 | T42 S46 | T42-D44 VanDerWaalsContact CB-OD2 3.25Å; T42-D44 WeakPolarHBondContact CB-OD2 3.32Å; T42-D44 PolarHBondContact O-N 3.37Å; T42-D44 VanDerWaalsContact OG1-CG 3.28Å; T42-D44 PolarHBondContact OG1-OD2 2.98Å; D44-S46 PolarHBondContact O-N 3.42Å | ||
| 45 | S | 46.4 | Very low | 53.4 | Low | 97 Ų | 97 | 102 Ų | 102 | 68% | 0.678 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -71.3 | 6 | -176.3 | -50.1 | 0 | 0 | 0 | 0 | 115 | E43 L47 | E43-S45 VanDerWaalsContact C-N 3.34Å; E43-S45 PolarHBondContact O-N 3.13Å; S45-L47 VanDerWaalsContact C-N 3.3Å; S45-L47 PolarHBondContact O-N 3.16Å |
| 46 | S | 45.1 | Very low | 52.6 | Low | 104 Ų | 104 | 103 Ų | 103 | 73% | 0.727 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -83.5 | 10.9 | -177.2 | 57.9 | 0 | 0 | 0 | 0 | 115.3 | D44 | D44-S46 PolarHBondContact O-N 3.42Š|
| 47 | L | 44.8 | Very low | 52 | Low | 159 Ų | 159 | 109 Ų | 109 | 83% | 0.832 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -120.5 | 18.7 | -178.1 | -86.3 | -175.4 | 0 | 0 | 0 | 116.6 | S45 | S45-L47 VanDerWaalsContact C-N 3.3Å; S45-L47 PolarHBondContact O-N 3.16Å |
| 48 | L | 51.3 | Low | 51.4 | Low | 146 Ų | 146 | 106.9 Ų | 106.9 | 76% | 0.764 | 64% | 0.642 | S | S | * | * | trans | -140.4 | 40.3 | 169.8 | 42.5 | 153.4 | 0 | 0 | 0 | 115.1 | G50 | L48-G50 PolarHBondContact O-N 3.45Š| ||
| 49 | E | 51.8 | Low | 50.3 | Low | 208 Ų | 208 | 110 Ų | 110 | 97% | 0.972 | 67% | 0.67 | S | S | * | * | trans | -72.5 | 80.5 | 148.5 | -77.2 | -160.3 | 103.3 | 0 | 0 | 109.6 | ||||
| 50 | G | 45.6 | Very low | 49.3 | Very low | 78 Ų | 78 | 109.3 Ų | 109.3 | 80% | 0.804 | 67% | 0.672 | S | S | * | * | S | Bend | trans | 174.3 | 42.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | L48 | L48-G50 PolarHBondContact O-N 3.45Š|
| 51 | G | 33.3 | Very low | 47.9 | Very low | 72 Ų | 72 | 112.1 Ų | 112.1 | 74% | 0.742 | 69% | 0.685 | S | S | * | * | trans | -174 | 22.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | N53 | G51-N53 PolarHBondContact O-N 3.22Š| ||
| 52 | A | 43.5 | Very low | 46.7 | Very low | 97 Ų | 97 | 116.3 Ų | 116.3 | 80% | 0.802 | 70% | 0.699 | S | S | * | * | trans | -69.2 | 102.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 53 | N | 44.7 | Very low | 46 | Very low | 168 Ų | 168 | 115.2 Ų | 115.2 | 90% | 0.898 | 70% | 0.697 | S | S | * | * | S | Bend | trans | 178.7 | 110.4 | 150.4 | -87.9 | -31.6 | 0 | 0 | 0 | 110.8 | G51 | G51-N53 PolarHBondContact O-N 3.22Š|
| 54 | G | 45.3 | Very low | 45.1 | Very low | 68 Ų | 68 | 116 Ų | 116 | 70% | 0.701 | 70% | 0.701 | S | S | * | * | trans | 95 | 86.9 | 159.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 55 | L | 49.5 | Very low | 45.2 | Very low | 160 Ų | 160 | 115 Ų | 115 | 84% | 0.838 | 70% | 0.695 | S | S | * | * | trans | -158.1 | 59.2 | 150.7 | -159.2 | 77.5 | 0 | 0 | 0 | 112 | ||||
| 56 | D | 42.6 | Very low | 45.2 | Very low | 120 Ų | 120 | 117.9 Ų | 117.9 | 64% | 0.642 | 69% | 0.691 | S | S | * | * | trans | -118.3 | 25.7 | 179.5 | 51.6 | -61.3 | 0 | 0 | 0 | 113.5 | ||||
| 57 | D | 45.5 | Very low | 45.3 | Very low | 126 Ų | 126 | 118.1 Ų | 118.1 | 67% | 0.674 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -109.1 | -0.4 | -173.1 | -89.3 | -50.8 | 0 | 0 | 0 | 116.1 | ||
| 58 | T | 48.4 | Very low | 45.3 | Very low | 104 Ų | 104 | 115.1 Ų | 115.1 | 64% | 0.638 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -104 | -24.4 | -179.5 | 52.1 | 0 | 0 | 0 | 0 | 114.6 | ||
| 59 | A | 46.6 | Very low | 45 | Very low | 77 Ų | 77 | 114.9 Ų | 114.9 | 64% | 0.636 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -78.5 | -37.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F62 A63 | A59-F62 PolarHBondContact O-N 2.99Å; A59-A63 PolarHBondContact O-N 3.16Å |
| 60 | T | 49.5 | Very low | 45 | Very low | 78 Ų | 78 | 109.7 Ų | 109.7 | 48% | 0.479 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -66.2 | -38.5 | 179.1 | 47.3 | 0 | 0 | 0 | 0 | 112.5 | F62 A63 E64 | T60-F62 VanDerWaalsContact C-N 3.27Å; T60-F62 PolarHBondContact O-N 2.94Å; T60-A63 PolarHBondContact O-N 3.23Å; T60-A63 VanDerWaalsContact O-N 3.1Å; T60-E64 PolarHBondContact O-N 3.3Å |
| 61 | Q | 44.1 | Very low | 45.1 | Very low | 140 Ų | 140 | 112.1 Ų | 112.1 | 65% | 0.654 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67.9 | -23.7 | -179 | -168.7 | 152.7 | 97.9 | 0 | 0 | 113.8 | L65 | Q61-L65 WeakPolarHBondContact O-CG 3.12Å |
| 62 | F | 40.7 | Very low | 45.2 | Very low | 144 Ų | 144 | 115.8 Ų | 115.8 | 63% | 0.632 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -82.2 | -33 | 169.2 | -90.9 | -90.3 | 0 | 0 | 0 | 112.7 | A59 T60 L65 W66 | A59-F62 PolarHBondContact O-N 2.99Å; T60-F62 VanDerWaalsContact C-N 3.27Å; T60-F62 PolarHBondContact O-N 2.94Å; F62-L65 PolarHBondContact O-N 3.36Å; F62-W66 PolarHBondContact O-N 3.02Å |
| 63 | A | 45 | Very low | 44.9 | Very low | 46 Ų | 46 | 122.3 Ų | 122.3 | 38% | 0.38 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -64.9 | -45.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A59 T60 L65 W66 H67 | A59-A63 PolarHBondContact O-N 3.16Å; T60-A63 PolarHBondContact O-N 3.23Å; T60-A63 VanDerWaalsContact O-N 3.1Å; A63-L65 VanDerWaalsContact C-N 3.31Å; A63-L65 PolarHBondContact O-N 3.36Å; A63-W66 PolarHBondContact O-N 3.38Å; A63-W66 VanDerWaalsContact O-N 3.15Å; A63-H67 PolarHBondContact O-CD2 3.2Å; A63-H67 VanDerWaalsContact O-CD2 3.29Å; A63-H67 PolarHBondContact O-N 2.74Å |
| 64 | E | 37.7 | Very low | 44.3 | Very low | 127 Ų | 127 | 120 Ų | 120 | 59% | 0.593 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -54.7 | -43.6 | 176.1 | -76.2 | -81 | 122.6 | 0 | 0 | 112.5 | T60 W66 H67 L68 | T60-E64 PolarHBondContact O-N 3.3Å; E64-W66 VanDerWaalsContact C-N 3.34Å; E64-W66 PolarHBondContact O-N 3.46Å; E64-H67 PolarHBondContact O-N 2.9Å; E64-L68 WeakPolarHBondContact O-CG 3Å; E64-L68 PolarHBondContact O-N 3.22Å |
| 65 | L | 47.1 | Very low | 43.6 | Very low | 97 Ų | 97 | 125.2 Ų | 125.2 | 51% | 0.508 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -68 | -31 | -179.9 | -69.4 | 173.2 | 0 | 0 | 0 | 113 | Q61 F62 A63 L69 | Q61-L65 WeakPolarHBondContact O-CG 3.12Å; F62-L65 PolarHBondContact O-N 3.36Å; A63-L65 VanDerWaalsContact C-N 3.31Å; A63-L65 PolarHBondContact O-N 3.36Å; L65-L69 WeakPolarHBondContact O-CD1 3.38Å; L65-L69 VanDerWaalsContact O-CG 3.31Å; L65-L69 WeakPolarHBondContact O-CG 3.35Å; L65-L69 PolarHBondContact O-N 3.31Å |
| 66 | W | 47.3 | Very low | 42.7 | Very low | 157 Ų | 157 | 123.6 Ų | 123.6 | 60% | 0.595 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -76.2 | -36.7 | 173.3 | -85 | 91.9 | 0 | 0 | 0 | 112.4 | F62 A63 E64 L69 L70 | F62-W66 PolarHBondContact O-N 3.02Å; A63-W66 PolarHBondContact O-N 3.38Å; A63-W66 VanDerWaalsContact O-N 3.15Å; E64-W66 VanDerWaalsContact C-N 3.34Å; E64-W66 PolarHBondContact O-N 3.46Å; W66-L69 PolarHBondContact O-N 2.97Å; W66-L70 HydrophobicContact CE3-CD1 3.8Å; W66-L70 HydrophobicContact CE3-CD2 4.06Å; W66-L70 HydrophobicContact CZ3-CD1 3.87Å; W66-L70 HydrophobicContact CZ3-CD2 4.05Å; W66-L70 PolarHBondContact O-N 3.48Å; W66-L70 VanDerWaalsContact O-N 3.08Å |
| 67 | H | 47.2 | Very low | 42.2 | Very low | 109 Ų | 109 | 122.8 Ų | 122.8 | 51% | 0.505 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -62.5 | -43.3 | 174.6 | -83.6 | -69.9 | 0 | 0 | 0 | 112.7 | A63 E64 L69 L71 | A63-H67 PolarHBondContact O-CD2 3.2Å; A63-H67 VanDerWaalsContact O-CD2 3.29Å; A63-H67 PolarHBondContact O-N 2.74Å; E64-H67 PolarHBondContact O-N 2.9Å; H67-L69 VanDerWaalsContact C-N 3.29Å; H67-L69 PolarHBondContact O-N 2.97Å; H67-L71 PolarHBondContact O-N 2.71Å |
| 68 | L | 45.2 | Very low | 41.3 | Very low | 96 Ų | 96 | 124.2 Ų | 124.2 | 50% | 0.503 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -69.2 | -22.3 | 178 | -69.4 | 171.7 | 0 | 0 | 0 | 114 | E64 E72 | E64-L68 WeakPolarHBondContact O-CG 3Å; E64-L68 PolarHBondContact O-N 3.22Å; L68-E72 HydrophobicContact CD2-CG 4.39Å |
| 69 | L | 45.5 | Very low | 40.6 | Very low | 141 Ų | 141 | 128.9 Ų | 128.9 | 74% | 0.738 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -93.7 | -26.5 | 179.9 | -73.6 | 172.1 | 0 | 0 | 0 | 114 | L65 W66 H67 | L65-L69 WeakPolarHBondContact O-CD1 3.38Å; L65-L69 VanDerWaalsContact O-CG 3.31Å; L65-L69 WeakPolarHBondContact O-CG 3.35Å; L65-L69 PolarHBondContact O-N 3.31Å; W66-L69 PolarHBondContact O-N 2.97Å; H67-L69 VanDerWaalsContact C-N 3.29Å; H67-L69 PolarHBondContact O-N 2.97Å |
| 70 | L | 50.6 | Low | 39.8 | Very low | 99 Ų | 99 | 131.5 Ų | 131.5 | 52% | 0.518 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -116.2 | -22.4 | -173.8 | -93.1 | 70.8 | 0 | 0 | 0 | 116 | W66 W273 | W66-L70 HydrophobicContact CE3-CD1 3.8Å; W66-L70 HydrophobicContact CE3-CD2 4.06Å; W66-L70 HydrophobicContact CZ3-CD1 3.87Å; W66-L70 HydrophobicContact CZ3-CD2 4.05Å; W66-L70 PolarHBondContact O-N 3.48Å; W66-L70 VanDerWaalsContact O-N 3.08Å; L70-W273 HydrophobicContact CD2-CZ3 4.27Å |
| 71 | L | 48.3 | Very low | 38.7 | Very low | 129 Ų | 129 | 133.5 Ų | 133.5 | 68% | 0.675 | 67% | 0.666 | S | S | * | * | trans | -126.6 | 3.7 | -165.3 | -147.1 | 67.7 | 0 | 0 | 0 | 116.7 | H67 R73 | H67-L71 PolarHBondContact O-N 2.71Å; L71-R73 VanDerWaalsContact C-N 3.3Å; L71-R73 PolarHBondContact O-N 2.63Å | ||
| 72 | E | 35.2 | Very low | 38.8 | Very low | 149 Ų | 149 | 132.4 Ų | 132.4 | 70% | 0.696 | 67% | 0.671 | S | S | * | * | trans | -83.2 | 66.3 | 173.6 | -73.1 | -150.6 | 121.1 | 0 | 0 | 114 | L68 | L68-E72 HydrophobicContact CD2-CG 4.39Š| ||
| 73 | R | 36.2 | Very low | 38.2 | Very low | 233 Ų | 233 | 132.8 Ų | 132.8 | 88% | 0.879 | 68% | 0.679 | S | S | * | * | trans | -140.7 | 106.8 | 143.8 | -84.9 | -159.3 | 160.6 | 111 | 1.1 | 110.1 | L71 F75 | L71-R73 VanDerWaalsContact C-N 3.3Å; L71-R73 PolarHBondContact O-N 2.63Å; R73-F75 PolarHBondContact O-N 3.09Å | ||
| 74 | P | 33.6 | Very low | 37.8 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 77% | 0.773 | 70% | 0.695 | S | S | * | * | trans | -66.3 | 108.4 | 173.8 | 26.5 | -32.5 | 0 | 0 | 0 | 109.8 | T76 | P74-T76 PolarHBondContact O-N 3Š| ||
| 75 | F | 30.3 | Very low | 37.5 | Very low | 179 Ų | 179 | 138.6 Ų | 138.6 | 79% | 0.785 | 71% | 0.709 | S | S | * | * | trans | -69.4 | 96 | 166.4 | -174.8 | -95.5 | 0 | 0 | 0 | 108.3 | R73 T77 | R73-F75 PolarHBondContact O-N 3.09Å; F75-T77 VanDerWaalsContact CD1-OG1 3.23Å; F75-T77 WeakPolarHBondContact CD1-OG1 3.43Å; F75-T77 VanDerWaalsContact CE1-OG1 3.23Å; F75-T77 WeakPolarHBondContact CE1-OG1 3.41Å; F75-T77 PolarHBondContact O-N 3.49Å | ||
| 76 | T | 29.4 | Very low | 36.9 | Very low | 125 Ų | 125 | 143.1 Ų | 143.1 | 77% | 0.767 | 73% | 0.728 | S | S | * | * | trans | -72.2 | 93.1 | 172.3 | 49.9 | 0 | 0 | 0 | 0 | 109.3 | P74 D78 | P74-T76 PolarHBondContact O-N 3Å; T76-D78 VanDerWaalsContact C-N 3.31Å; T76-D78 PolarHBondContact O-N 2.86Å | ||
| 77 | T | 32.8 | Very low | 36.1 | Very low | 104 Ų | 104 | 146.1 Ų | 146.1 | 64% | 0.638 | 74% | 0.739 | S | S | * | * | trans | -68.6 | 89.6 | 164.6 | -49.1 | 0 | 0 | 0 | 0 | 108.9 | F75 | F75-T77 VanDerWaalsContact CD1-OG1 3.23Å; F75-T77 WeakPolarHBondContact CD1-OG1 3.43Å; F75-T77 VanDerWaalsContact CE1-OG1 3.23Å; F75-T77 WeakPolarHBondContact CE1-OG1 3.41Å; F75-T77 PolarHBondContact O-N 3.49Å | ||
| 78 | D | 26.2 | Very low | 35.3 | Very low | 155 Ų | 155 | 147.6 Ų | 147.6 | 83% | 0.829 | 75% | 0.75 | S | S | * | * | trans | -92.9 | 104.7 | 160.7 | -159.1 | -91.5 | 0 | 0 | 0 | 109.2 | T76 | T76-D78 VanDerWaalsContact C-N 3.31Å; T76-D78 PolarHBondContact O-N 2.86Å | ||
| 79 | R | 33.8 | Very low | 35.4 | Very low | 203 Ų | 203 | 148.6 Ų | 148.6 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | trans | -147.6 | 121.9 | 168.4 | -162.9 | 102.1 | 73.6 | 178.5 | 1 | 102.4 | ||||
| 80 | D | 29.5 | Very low | 34.7 | Very low | 132 Ų | 132 | 146 Ų | 146 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | cis | -143.2 | 145.4 | 41.9 | -73.1 | -80.6 | 0 | 0 | 0 | 114.5 | ||||
| 81 | S | 26.8 | Very low | 33.6 | Very low | 120 Ų | 120 | 144.9 Ų | 144.9 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | trans | -163.5 | 133.6 | 130.3 | -86 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 82 | P | 45.9 | Very low | 32.8 | Very low | 117 Ų | 117 | 149.5 Ų | 149.5 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | trans | -88.3 | 145.9 | 174.8 | 35.7 | -33 | 0 | 0 | 0 | 111.4 | ||||
| 83 | D | 29.5 | Very low | 32.7 | Very low | 152 Ų | 152 | 148.5 Ų | 148.5 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | -156 | 149.7 | 105.5 | -151.9 | -127.2 | 0 | 0 | 0 | 111.5 | |||||
| 84 | S | 36.4 | Very low | 32.5 | Very low | 100 Ų | 100 | 144.6 Ų | 144.6 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | trans | -104.9 | 126.8 | -172.3 | 52.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 85 | E | 31.4 | Very low | 32.4 | Very low | 194 Ų | 194 | 142.5 Ų | 142.5 | 91% | 0.907 | 79% | 0.791 | S | S | * | * | trans | -136.4 | 140.6 | 161.1 | -76.5 | -139.1 | 102.5 | 0 | 0 | 114.3 | ||||
| 86 | H | 34.3 | Very low | 32.6 | Very low | 192 Ų | 192 | 144.7 Ų | 144.7 | 89% | 0.889 | 80% | 0.801 | S | S | * | * | trans | -84.1 | 132 | -176 | -103.1 | -109.2 | 0 | 0 | 0 | 112.5 | ||||
| 87 | R | 29.6 | Very low | 32.7 | Very low | 220 Ų | 220 | 141.7 Ų | 141.7 | 83% | 0.83 | 80% | 0.795 | S | S | * | * | trans | -69.4 | 142.5 | 150.7 | -103.8 | -168.8 | 171.5 | 177.3 | -0.3 | 107.9 | ||||
| 88 | L | 31.8 | Very low | 32.7 | Very low | 140 Ų | 140 | 143.4 Ų | 143.4 | 73% | 0.733 | 80% | 0.8 | S | S | * | * | cis | -165.3 | -170.9 | 18.4 | -96.3 | 176.1 | 0 | 0 | 0 | 107 | ||||
| 89 | P | 47.3 | Very low | 33.3 | Very low | 118 Ų | 118 | 144 Ų | 144 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | cis | -134 | 162.1 | -20.8 | 25.4 | -3.6 | 0 | 0 | 0 | 115.9 | ||||
| 90 | G | 29.9 | Very low | 33.4 | Very low | 85 Ų | 85 | 138.2 Ų | 138.2 | 88% | 0.876 | 81% | 0.806 | S | S | * | * | trans | 106.2 | 144.1 | 133.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 91 | G | 27.9 | Very low | 33.6 | Very low | 76 Ų | 76 | 135 Ų | 135 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | trans | 119.3 | 91.7 | 149.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 92 | R | 31.3 | Very low | 34.1 | Very low | 226 Ų | 226 | 138.1 Ų | 138.1 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | 57.3 | 118.2 | 140.5 | -76.8 | -173.7 | 151.2 | -157.4 | -4.1 | 122.9 | ||||
| 93 | L | 32.3 | Very low | 33.4 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 68% | 0.675 | 82% | 0.816 | S | S | * | * | 69.8 | 138.3 | 121.1 | -57 | 172.8 | 0 | 0 | 0 | 122 | |||||
| 94 | T | 32 | Very low | 33.8 | Very low | 150 Ų | 150 | 133.3 Ų | 133.3 | 92% | 0.92 | 82% | 0.818 | S | S | * | * | trans | 67.3 | 147.1 | 166.9 | 65.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 95 | G | 33 | Very low | 33.5 | Very low | 76 Ų | 76 | 132.2 Ų | 132.2 | 78% | 0.784 | 82% | 0.822 | S | S | * | * | cis | -168 | 173.8 | -0.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 96 | F | 32.7 | Very low | 33.8 | Very low | 224 Ų | 224 | 128.2 Ų | 128.2 | 98% | 0.982 | 82% | 0.816 | S | S | * | * | trans | -74.2 | 154.2 | 179.6 | -105 | -111.6 | 0 | 0 | 0 | 113.5 | ||||
| 97 | G | 33.2 | Very low | 34 | Very low | 63 Ų | 63 | 127.2 Ų | 127.2 | 65% | 0.649 | 82% | 0.815 | S | S | * | * | trans | 141 | 104.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 98 | D | 32.2 | Very low | 34.1 | Very low | 139 Ų | 139 | 120.8 Ų | 120.8 | 74% | 0.743 | 82% | 0.817 | S | S | * | * | 87.3 | 115.2 | 67.4 | -88.3 | -57.7 | 0 | 0 | 0 | 115.6 | |||||
| 99 | L | 39.6 | Very low | 34.1 | Very low | 169 Ų | 169 | 117.4 Ų | 117.4 | 89% | 0.885 | 82% | 0.816 | S | S | * | * | trans | 58.2 | 122.8 | 140.8 | -64.3 | 166.5 | 0 | 0 | 0 | 122.5 | ||||
| 100 | G | 34.3 | Very low | 33.5 | Very low | 81 Ų | 81 | 117.2 Ų | 117.2 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | trans | 147.7 | 122.7 | 160.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 101 | G | 33.8 | Very low | 33.9 | Very low | 65 Ų | 65 | 119.1 Ų | 119.1 | 67% | 0.67 | 81% | 0.812 | S | S | * | * | cis | 117.6 | 129.1 | 5.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 102 | L | 37.3 | Very low | 34.9 | Very low | 185 Ų | 185 | 121.7 Ų | 121.7 | 97% | 0.969 | 82% | 0.815 | S | S | * | * | trans | 67.4 | 130.2 | 165.8 | 70.5 | 137.5 | 0 | 0 | 0 | 122.5 | ||||
| 103 | G | 32.8 | Very low | 35.3 | Very low | 85 Ų | 85 | 116.8 Ų | 116.8 | 88% | 0.876 | 81% | 0.81 | S | S | * | * | trans | 116.4 | 130.6 | 159.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 104 | G | 36 | Very low | 35.3 | Very low | 83 Ų | 83 | 113.8 Ų | 113.8 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | cis | 154.7 | 114.8 | -12.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 105 | G | 30.6 | Very low | 35.6 | Very low | 76 Ų | 76 | 114.7 Ų | 114.7 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | trans | 75.7 | 165.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 106 | S | 39 | Very low | 35.5 | Very low | 110 Ų | 110 | 115 Ų | 115 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | cis | -169.6 | 144.8 | -5.6 | -89.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 107 | I | 37.8 | Very low | 35.3 | Very low | 171 Ų | 171 | 108.2 Ų | 108.2 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | trans | 60.4 | 137.6 | 145.4 | 73.4 | 179.1 | 0 | 0 | 0 | 126.3 | ||||
| 108 | G | 32.4 | Very low | 35.9 | Very low | 85 Ų | 85 | 110.8 Ų | 110.8 | 88% | 0.876 | 81% | 0.814 | S | S | * | * | trans | 92.1 | 141.1 | 144.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 109 | G | 30.3 | Very low | 36.3 | Very low | 69 Ų | 69 | 113 Ų | 113 | 71% | 0.711 | 82% | 0.822 | S | S | * | * | cis | 172.2 | 137.1 | -11 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 110 | S | 34.7 | Very low | 35.9 | Very low | 115 Ų | 115 | 108.6 Ų | 108.6 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | 66.5 | 108.4 | 136.1 | -55.7 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 111 | V | 38.8 | Very low | 35.7 | Very low | 124 Ų | 124 | 108.3 Ų | 108.3 | 75% | 0.752 | 81% | 0.814 | S | S | * | * | trans | 56.3 | 152.5 | 136.8 | -113.4 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 112 | P | 49.8 | Very low | 35.6 | Very low | 130 Ų | 130 | 113 Ų | 113 | 84% | 0.844 | 82% | 0.823 | S | S | * | * | -138.1 | 175.8 | 81.7 | 37.5 | -21.1 | 0 | 0 | 0 | 116.8 | |||||
| 113 | T | 38.5 | Very low | 35.6 | Very low | 123 Ų | 123 | 112.5 Ų | 112.5 | 76% | 0.755 | 82% | 0.821 | S | S | * | * | trans | -132.5 | 145.2 | -178.5 | -55.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 114 | G | 33.5 | Very low | 35.5 | Very low | 66 Ų | 66 | 111.7 Ų | 111.7 | 68% | 0.68 | 81% | 0.812 | S | S | * | * | trans | -178.9 | 118.5 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 115 | L | 36.9 | Very low | 35.4 | Very low | 169 Ų | 169 | 113.8 Ų | 113.8 | 89% | 0.885 | 81% | 0.814 | S | S | * | * | cis | 87.3 | 119.9 | 46.1 | -69.4 | 178.2 | 0 | 0 | 0 | 114.4 | ||||
| 116 | G | 31.5 | Very low | 35.5 | Very low | 84 Ų | 84 | 113.1 Ų | 113.1 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | trans | 88 | 144.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 117 | G | 28.9 | Very low | 35.5 | Very low | 81 Ų | 81 | 115.9 Ų | 115.9 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | cis | 177.3 | 155.2 | -2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 118 | S | 45.6 | Very low | 35.4 | Very low | 117 Ų | 117 | 111.9 Ų | 111.9 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -111 | 140 | -168.9 | -176 | 0 | 0 | 0 | 0 | 114 | ||||
| 119 | M | 40.9 | Very low | 35.4 | Very low | 185 Ų | 185 | 119.5 Ų | 119.5 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | trans | -177.6 | 139.1 | 164.4 | 45.9 | -162.6 | 73.3 | 0 | 0 | 109.7 | ||||
| 120 | G | 31.6 | Very low | 35.6 | Very low | 76 Ų | 76 | 119.2 Ų | 119.2 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | cis | 158.2 | 114.6 | -12.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 121 | G | 29.4 | Very low | 35.7 | Very low | 75 Ų | 75 | 123.4 Ų | 123.4 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | 67.4 | 163.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 122 | L | 30.3 | Very low | 35.4 | Very low | 165 Ų | 165 | 121.2 Ų | 121.2 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | cis | -146.6 | 146.7 | -2.3 | -69.2 | 164.5 | 0 | 0 | 0 | 106.7 | ||||
| 123 | L | 38.5 | Very low | 34.9 | Very low | 174 Ų | 174 | 126.7 Ų | 126.7 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | 173.8 | 152.2 | 89.6 | -75.9 | 165.5 | 0 | 0 | 0 | 105.6 | |||||
| 124 | G | 29.7 | Very low | 35.3 | Very low | 68 Ų | 68 | 126.4 Ų | 126.4 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | cis | 145.7 | 89.7 | 1.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 125 | S | 35.5 | Very low | 35.9 | Very low | 127 Ų | 127 | 128.7 Ų | 128.7 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | trans | 168.7 | 128.5 | 162.9 | -74 | 0 | 0 | 0 | 0 | 106 | ||||
| 126 | G | 32.6 | Very low | 36.6 | Very low | 61 Ų | 61 | 132.4 Ų | 132.4 | 63% | 0.629 | 82% | 0.818 | S | S | * | * | cis | 119.8 | 126.9 | 32.2 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 127 | D | 37.3 | Very low | 36.9 | Very low | 169 Ų | 169 | 136.3 Ų | 136.3 | 90% | 0.904 | 82% | 0.818 | S | S | * | * | cis | -152.1 | 170.8 | 9.6 | -64.1 | -61.2 | 0 | 0 | 0 | 112.8 | ||||
| 128 | S | 37.2 | Very low | 38 | Very low | 86 Ų | 86 | 136.2 Ų | 136.2 | 60% | 0.601 | 82% | 0.817 | S | S | * | * | trans | -65 | 160 | 170.4 | -165.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 129 | W | 31.6 | Very low | 37.6 | Very low | 246 Ų | 246 | 136.1 Ų | 136.1 | 93% | 0.932 | 82% | 0.816 | S | S | * | * | cis | -154 | 176 | 32.8 | -54.6 | 73.3 | 0 | 0 | 0 | 109.2 | ||||
| 130 | G | 34.2 | Very low | 37.9 | Very low | 63 Ų | 63 | 136.1 Ų | 136.1 | 65% | 0.649 | 81% | 0.814 | S | S | * | * | cis | 154.5 | 152.9 | -7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 131 | Q | 37.3 | Very low | 38 | Very low | 203 Ų | 203 | 144.1 Ų | 144.1 | 95% | 0.949 | 82% | 0.82 | S | S | * | * | trans | 68.3 | 131 | 168.3 | -57.3 | -74.9 | 21.6 | 0 | 0 | 120.9 | ||||
| 132 | G | 31.9 | Very low | 38.5 | Very low | 78 Ų | 78 | 151.3 Ų | 151.3 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | 130.5 | 96.9 | 151.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 133 | R | 40.4 | Very low | 38.7 | Very low | 244 Ų | 244 | 153.2 Ų | 153.2 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | trans | -110.3 | 147.8 | 149.7 | -93.9 | -173.3 | 179.4 | -130.4 | 4.2 | 107.1 | ||||
| 134 | P | 46.3 | Very low | 38.6 | Very low | 118 Ų | 118 | 156.1 Ų | 156.1 | 77% | 0.766 | 82% | 0.82 | S | S | * | * | -149.9 | -148.4 | 60.4 | 39.1 | -16 | 0 | 0 | 0 | 112.8 | |||||
| 135 | P | 47.3 | Very low | 38.8 | Very low | 113 Ų | 113 | 157.5 Ų | 157.5 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | -106.1 | -179.3 | -62.6 | 33.6 | -19.7 | 0 | 0 | 0 | 112 | |||||
| 136 | R | 49.7 | Very low | 38.9 | Very low | 248 Ų | 248 | 162.9 Ų | 162.9 | 94% | 0.936 | 82% | 0.82 | S | S | * | * | trans | -76.8 | 136.3 | 170.6 | -70.4 | -160.8 | -176.7 | -78.9 | 7 | 111.5 | ||||
| 137 | L | 39.4 | Very low | 39.3 | Very low | 165 Ų | 165 | 163.3 Ų | 163.3 | 86% | 0.864 | 83% | 0.825 | S | S | * | * | trans | -125.4 | 133.3 | 163.7 | -117.3 | 158.3 | 0 | 0 | 0 | 108.1 | ||||
| 138 | G | 50.7 | Low | 39.3 | Very low | 79 Ų | 79 | 160.4 Ų | 160.4 | 81% | 0.814 | 82% | 0.818 | S | S | * | * | trans | -68.4 | 132 | 176 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 139 | S | 37.6 | Very low | 39.7 | Very low | 115 Ų | 115 | 162 Ų | 162 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | trans | -131.3 | 113.5 | 175.6 | -175.8 | 0 | 0 | 0 | 0 | 109.7 | R141 | S139-R141 PolarHBondContact O-N 2.95Å; S139-R141 VanDerWaalsContact O-N 3.09Å | ||
| 140 | Q | 46.9 | Very low | 40.1 | Very low | 185 Ų | 185 | 160.9 Ų | 160.9 | 86% | 0.864 | 83% | 0.825 | S | S | * | * | trans | -64.8 | 105.6 | 176.2 | -68.5 | 155.9 | -60.5 | 0 | 0 | 109.6 | R142 | Q140-R142 PolarHBondContact O-N 3.24Š| ||
| 141 | R | 34.8 | Very low | 40.4 | Very low | 244 Ų | 244 | 163.8 Ų | 163.8 | 92% | 0.921 | 83% | 0.832 | S | S | * | * | trans | -76.3 | 91.8 | 168.5 | -172.3 | 171.2 | -80.9 | -118.6 | 3.3 | 109 | S139 Y143 | S139-R141 PolarHBondContact O-N 2.95Å; S139-R141 VanDerWaalsContact O-N 3.09Å; R141-Y143 PolarHBondContact O-N 3.22Å | ||
| 142 | R | 40.3 | Very low | 40.2 | Very low | 226 Ų | 226 | 160.8 Ų | 160.8 | 85% | 0.853 | 82% | 0.823 | S | S | * | * | trans | -51.8 | 117 | 169.2 | -77.2 | 177.8 | -88.9 | -173.7 | -7.9 | 110.1 | Q140 R144 | Q140-R142 PolarHBondContact O-N 3.24Å; R142-R144 PolarHBondContact O-N 3.2Å | ||
| 143 | Y | 33.8 | Very low | 41 | Very low | 205 Ų | 205 | 168 Ų | 168 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | trans | -72 | 112.4 | 162.9 | -167.7 | -101.7 | 0 | 0 | 0 | 108 | R141 S145 | R141-Y143 PolarHBondContact O-N 3.22Å; Y143-S145 WeakPolarHBondContact CD1-OG 3.5Å; Y143-S145 PolarHBondContact O-N 2.83Å | ||
| 144 | R | 35.6 | Very low | 41.3 | Very low | 235 Ų | 235 | 160.1 Ų | 160.1 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | trans | -79.4 | 94.1 | 168.5 | -85.9 | -167.7 | 174.8 | -163.8 | 0.4 | 108 | R142 R146 | R142-R144 PolarHBondContact O-N 3.2Å; R144-R146 PolarHBondContact O-N 3.18Å | ||
| 145 | S | 35.2 | Very low | 41.6 | Very low | 97 Ų | 97 | 160 Ų | 160 | 68% | 0.678 | 81% | 0.807 | S | S | * | * | trans | -59.5 | 107.4 | 164.6 | -59.7 | 0 | 0 | 0 | 0 | 109.1 | Y143 G147 | Y143-S145 WeakPolarHBondContact CD1-OG 3.5Å; Y143-S145 PolarHBondContact O-N 2.83Å; S145-G147 PolarHBondContact O-N 2.8Å; S145-G147 VanDerWaalsContact O-N 3.11Å | ||
| 146 | R | 37.1 | Very low | 42 | Very low | 240 Ų | 240 | 157.5 Ų | 157.5 | 91% | 0.906 | 80% | 0.796 | S | S | * | * | trans | -71.5 | 100.2 | 164.6 | 173.7 | 175.7 | -86.2 | -112.6 | 1.5 | 106.5 | R144 S148 | R144-R146 PolarHBondContact O-N 3.18Å; R146-S148 PolarHBondContact O-N 2.7Å; R146-S148 VanDerWaalsContact O-N 3.13Å | ||
| 147 | G | 41.7 | Very low | 42.3 | Very low | 71 Ų | 71 | 151.1 Ų | 151.1 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | trans | -59.5 | 115 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | S145 | S145-G147 PolarHBondContact O-N 2.8Å; S145-G147 VanDerWaalsContact O-N 3.11Å | ||
| 148 | S | 36 | Very low | 42.9 | Very low | 107 Ų | 107 | 150.1 Ų | 150.1 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | -101.6 | 104.7 | 161.2 | -172 | 0 | 0 | 0 | 0 | 106.6 | R146 R150 | R146-S148 PolarHBondContact O-N 2.7Å; R146-S148 VanDerWaalsContact O-N 3.13Å; S148-R150 PolarHBondContact O-N 2.93Å | ||
| 149 | S | 46.2 | Very low | 43 | Very low | 121 Ų | 121 | 148.3 Ų | 148.3 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | trans | -69.6 | 100.8 | 179.6 | -54.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 150 | R | 38.9 | Very low | 43.9 | Very low | 222 Ų | 222 | 148.6 Ų | 148.6 | 84% | 0.838 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 133.1 | 154.9 | -72.6 | -168.1 | 171.9 | -167.3 | -1.3 | 108 | S148 D152 | S148-R150 PolarHBondContact O-N 2.93Å; R150-D152 PolarHBondContact O-N 3.04Å |
| 151 | P | 40.3 | Very low | 44.4 | Very low | 124 Ų | 124 | 143.8 Ų | 143.8 | 81% | 0.805 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 123.5 | 178.4 | 28 | -32.6 | 0 | 0 | 0 | 109.2 | R153 | P151-R153 PolarHBondContact O-N 2.94Š|
| 152 | D | 35 | Very low | 45.3 | Very low | 140 Ų | 140 | 137.8 Ų | 137.8 | 75% | 0.749 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 127.3 | 166.3 | -176.6 | 50.8 | 0 | 0 | 0 | 108.8 | R150 S154 | R150-D152 PolarHBondContact O-N 3.04Å; D152-S154 PolarHBondContact OD2-OG 3.01Å |
| 153 | R | 48.4 | Very low | 46.1 | Very low | 229 Ų | 229 | 132.1 Ų | 132.1 | 86% | 0.864 | 70% | 0.696 | S | S | * | * | trans | -114.9 | 74.1 | -175.1 | -168.8 | -178.2 | 176.4 | -171.2 | -2.5 | 109.5 | P151 P155 | P151-R153 PolarHBondContact O-N 2.94Å; R153-P155 WeakPolarHBondContact O-CD 3.44Å | ||
| 154 | S | 46.1 | Very low | 47 | Very low | 78 Ų | 78 | 129.7 Ų | 129.7 | 55% | 0.545 | 69% | 0.69 | S | S | . | * | trans | -118.5 | 49.2 | 176.5 | 58.2 | 0 | 0 | 0 | 0 | 114.3 | D152 A156 | D152-S154 PolarHBondContact OD2-OG 3.01Å; S154-A156 PolarHBondContact O-N 2.9Å | ||
| 155 | P | 53 | Low | 47.9 | Very low | 116 Ų | 116 | 122.8 Ų | 122.8 | 75% | 0.753 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | 77.1 | -175.9 | 36.2 | -37 | 0 | 0 | 0 | 112.4 | R153 | R153-P155 WeakPolarHBondContact O-CD 3.44Š|
| 156 | A | 55.4 | Low | 48.7 | Very low | 60 Ų | 60 | 120.9 Ų | 120.9 | 50% | 0.496 | 66% | 0.66 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -155.5 | -42.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | S154 G159 I160 | S154-A156 PolarHBondContact O-N 2.9Å; A156-G159 PolarHBondContact O-N 3.44Å; A156-I160 PolarHBondContact O-N 3.48Å |
| 157 | V | 55.1 | Low | 49.6 | Very low | 114 Ų | 114 | 112 Ų | 112 | 69% | 0.691 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -69.2 | -41.2 | -168.9 | 179.2 | 0 | 0 | 0 | 0 | 112.2 | G159 V161 | V157-G159 PolarHBondContact O-N 3.47Å; V157-V161 WeakPolarHBondContact O-CG2 3.38Å; V157-V161 PolarHBondContact O-N 3.14Å |
| 158 | E | 51.9 | Low | 50.2 | Low | 145 Ų | 145 | 114.6 Ų | 114.6 | 68% | 0.678 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -71.1 | -30.3 | -178 | -167.1 | 165.6 | -161 | 0 | 0 | 112.8 | Q162 | E158-Q162 WeakPolarHBondContact O-CB 3.25Å; E158-Q162 VanDerWaalsContact O-CG 3.23Å; E158-Q162 WeakPolarHBondContact O-CG 3.5Å; E158-Q162 PolarHBondContact O-N 3.1Å; E158-Q162 VanDerWaalsContact O-N 3.16Å |
| 159 | G | 53.8 | Low | 50.7 | Low | 40 Ų | 40 | 117 Ų | 117 | 41% | 0.412 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -67.2 | -44.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | A156 V157 Q162 Q163 | A156-G159 PolarHBondContact O-N 3.44Å; V157-G159 PolarHBondContact O-N 3.47Å; G159-Q162 PolarHBondContact O-N 3.24Å; G159-Q163 WeakPolarHBondContact O-CB 3.39Å; G159-Q163 PolarHBondContact O-N 3.26Å |
| 160 | I | 57 | Low | 50.7 | Low | 121 Ų | 121 | 115.3 Ų | 115.3 | 62% | 0.621 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -70.6 | -39.4 | -176.3 | -64.5 | 168.4 | 0 | 0 | 0 | 111.4 | A156 Q163 F164 | A156-I160 PolarHBondContact O-N 3.48Å; I160-Q163 VanDerWaalsContact O-CB 3.27Å; I160-Q163 WeakPolarHBondContact O-CB 3.48Å; I160-Q163 PolarHBondContact O-N 3.13Å; I160-F164 PolarHBondContact O-N 3.29Å; I160-F164 VanDerWaalsContact O-N 3.17Å |
| 161 | V | 56 | Low | 51.3 | Low | 84 Ų | 84 | 111.2 Ų | 111.2 | 51% | 0.509 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -67.9 | -39 | 176.4 | 178.9 | 0 | 0 | 0 | 0 | 111.1 | V157 F164 L165 | V157-V161 WeakPolarHBondContact O-CG2 3.38Å; V157-V161 PolarHBondContact O-N 3.14Å; V161-F164 PolarHBondContact O-N 3.36Å; V161-L165 HydrophobicContact CG1-CD1 4.18Å; V161-L165 WeakPolarHBondContact O-CD1 3.42Å; V161-L165 PolarHBondContact O-N 3.05Å; V161-L165 VanDerWaalsContact O-N 3.09Å |
| 162 | Q | 55.1 | Low | 51.6 | Low | 118 Ų | 118 | 110.8 Ų | 110.8 | 55% | 0.551 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -67.3 | -33.4 | 172.7 | -71.5 | 179.6 | 12.8 | 0 | 0 | 112.5 | E158 G159 F164 A166 | E158-Q162 WeakPolarHBondContact O-CB 3.25Å; E158-Q162 VanDerWaalsContact O-CG 3.23Å; E158-Q162 WeakPolarHBondContact O-CG 3.5Å; E158-Q162 PolarHBondContact O-N 3.1Å; E158-Q162 VanDerWaalsContact O-N 3.16Å; G159-Q162 PolarHBondContact O-N 3.24Å; Q162-F164 VanDerWaalsContact C-N 3.32Å; Q162-F164 PolarHBondContact O-N 3.47Å; Q162-A166 WeakPolarHBondContact O-CB 3.34Å; Q162-A166 PolarHBondContact O-N 3.2Å |
| 163 | Q | 56.5 | Low | 52.2 | Low | 107 Ų | 107 | 107.1 Ų | 107.1 | 50% | 0.5 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -57.9 | -44 | 172.6 | -144 | 91.1 | 71.3 | 0 | 0 | 111.5 | G159 I160 G167 W182 | G159-Q163 WeakPolarHBondContact O-CB 3.39Å; G159-Q163 PolarHBondContact O-N 3.26Å; I160-Q163 VanDerWaalsContact O-CB 3.27Å; I160-Q163 WeakPolarHBondContact O-CB 3.48Å; I160-Q163 PolarHBondContact O-N 3.13Å; Q163-G167 PolarHBondContact O-N 3.31Å; Q163-W182 VanDerWaalsContact CD-CH2 3.45Å; Q163-W182 HydrophobicContact CG-CH2 3.84Å; Q163-W182 HydrophobicContact CG-CZ2 4.35Å; Q163-W182 HydrophobicContact CG-CZ3 4.29Å |
| 164 | F | 52.4 | Low | 52.1 | Low | 155 Ų | 155 | 101.5 Ų | 101.5 | 68% | 0.68 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -72.7 | -42.3 | -178.5 | -161.1 | -93.2 | 0 | 0 | 0 | 112.4 | I160 V161 Q162 G167 L168 | I160-F164 PolarHBondContact O-N 3.29Å; I160-F164 VanDerWaalsContact O-N 3.17Å; V161-F164 PolarHBondContact O-N 3.36Å; Q162-F164 VanDerWaalsContact C-N 3.32Å; Q162-F164 PolarHBondContact O-N 3.47Å; F164-G167 PolarHBondContact O-N 3.19Å; F164-L168 HydrophobicContact CD1-CD1 4.39Å; F164-L168 HydrophobicContact CE1-CD1 4.19Å; F164-L168 PolarHBondContact O-N 3.31Å |
| 165 | L | 53.7 | Low | 51.7 | Low | 89 Ų | 89 | 104.1 Ų | 104.1 | 47% | 0.466 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -65.8 | -41 | 174.5 | -93.8 | 75.2 | 0 | 0 | 0 | 112 | V161 G167 L168 F169 | V161-L165 HydrophobicContact CG1-CD1 4.18Å; V161-L165 WeakPolarHBondContact O-CD1 3.42Å; V161-L165 PolarHBondContact O-N 3.05Å; V161-L165 VanDerWaalsContact O-N 3.09Å; L165-G167 VanDerWaalsContact C-N 3.29Å; L165-G167 PolarHBondContact O-N 3.19Å; L165-L168 WeakPolarHBondContact O-CB 3.35Å; L165-L168 PolarHBondContact O-N 3Å; L165-F169 WeakPolarHBondContact O-CD2 3.18Å; L165-F169 PolarHBondContact O-N 2.67Å |
| 166 | A | 53.3 | Low | 51.4 | Low | 58 Ų | 58 | 102.4 Ų | 102.4 | 48% | 0.479 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -61.3 | -37.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q162 L168 F169 A170 | Q162-A166 WeakPolarHBondContact O-CB 3.34Å; Q162-A166 PolarHBondContact O-N 3.2Å; A166-L168 VanDerWaalsContact C-N 3.28Å; A166-L168 PolarHBondContact O-N 3.07Å; A166-F169 PolarHBondContact O-N 3.1Å; A166-A170 VanDerWaalsContact O-CB 3.25Å; A166-A170 WeakPolarHBondContact O-CB 3.27Å; A166-A170 PolarHBondContact O-N 3.32Å |
| 167 | G | 55.4 | Low | 51 | Low | 53 Ų | 53 | 104.1 Ų | 104.1 | 55% | 0.546 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -64.7 | -28.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q163 F164 L165 | Q163-G167 PolarHBondContact O-N 3.31Å; F164-G167 PolarHBondContact O-N 3.19Å; L165-G167 VanDerWaalsContact C-N 3.29Å; L165-G167 PolarHBondContact O-N 3.19Å |
| 168 | L | 53.6 | Low | 50.7 | Low | 125 Ų | 125 | 103.9 Ų | 103.9 | 65% | 0.654 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -77.5 | -29.6 | 177.1 | -105.1 | 160.5 | 0 | 0 | 0 | 113.3 | F164 L165 A166 | F164-L168 HydrophobicContact CD1-CD1 4.39Å; F164-L168 HydrophobicContact CE1-CD1 4.19Å; F164-L168 PolarHBondContact O-N 3.31Å; L165-L168 WeakPolarHBondContact O-CB 3.35Å; L165-L168 PolarHBondContact O-N 3Å; A166-L168 VanDerWaalsContact C-N 3.28Å; A166-L168 PolarHBondContact O-N 3.07Å |
| 169 | F | 47.3 | Very low | 50.6 | Low | 158 Ų | 158 | 102.7 Ų | 102.7 | 69% | 0.693 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -96.9 | -18.9 | -179.9 | -66.3 | -68.4 | 0 | 0 | 0 | 114.5 | L165 A166 N171 | L165-F169 WeakPolarHBondContact O-CD2 3.18Å; L165-F169 PolarHBondContact O-N 2.67Å; A166-F169 PolarHBondContact O-N 3.1Å; F169-N171 PolarHBondContact O-N 2.89Å |
| 170 | A | 46.4 | Very low | 50.4 | Low | 85 Ų | 85 | 109 Ų | 109 | 70% | 0.702 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -11.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | A166 | A166-A170 VanDerWaalsContact O-CB 3.25Å; A166-A170 WeakPolarHBondContact O-CB 3.27Å; A166-A170 PolarHBondContact O-N 3.32Å |
| 171 | N | 51.1 | Low | 50.2 | Low | 137 Ų | 137 | 108.3 Ų | 108.3 | 73% | 0.733 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | 12.9 | -174.3 | -159.8 | 26.6 | 0 | 0 | 0 | 114.8 | F169 G173 | F169-N171 PolarHBondContact O-N 2.89Å; N171-G173 PolarHBondContact O-N 3.42Å |
| 172 | S | 46.2 | Very low | 49.9 | Very low | 114 Ų | 114 | 113.4 Ų | 113.4 | 80% | 0.797 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -80.1 | 65 | 172.3 | 65.2 | 0 | 0 | 0 | 0 | 112 | ||
| 173 | G | 48.8 | Very low | 49.7 | Very low | 64 Ų | 64 | 113.9 Ų | 113.9 | 66% | 0.66 | 70% | 0.695 | S | S | * | * | S | Bend | trans | 124.1 | 98.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | N171 | N171-G173 PolarHBondContact O-N 3.42Š|
| 174 | V | 45.4 | Very low | 49.5 | Very low | 110 Ų | 110 | 111.8 Ų | 111.8 | 67% | 0.667 | 70% | 0.702 | S | S | * | * | -174.1 | 124.7 | 126.1 | 147.6 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 175 | P | 38.9 | Very low | 49.6 | Very low | 133 Ų | 133 | 111.3 Ų | 111.3 | 86% | 0.864 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -82.1 | 125.8 | 175.3 | 31.6 | -31.2 | 0 | 0 | 0 | 110.8 | ||
| 176 | G | 46.8 | Very low | 49.5 | Very low | 80 Ų | 80 | 113.6 Ų | 113.6 | 83% | 0.825 | 72% | 0.715 | S | S | * | * | S | Bend | trans | 124.9 | -1.3 | 161.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||
| 177 | S | 45.4 | Very low | 49.8 | Very low | 96 Ų | 96 | 118.9 Ų | 118.9 | 67% | 0.671 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 133.9 | 174.3 | -60.2 | 0 | 0 | 0 | 0 | 111.2 | ||
| 178 | P | 49.8 | Very low | 49.8 | Very low | 109 Ų | 109 | 119.1 Ų | 119.1 | 71% | 0.708 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 145.8 | 170.3 | 28.8 | -34 | 0 | 0 | 0 | 109.6 | L180 | P178-L180 PolarHBondContact O-N 3.32Å; P178-L180 VanDerWaalsContact O-N 3.14Å |
| 179 | P | 49.1 | Very low | 50.4 | Low | 121 Ų | 121 | 118.6 Ų | 118.6 | 79% | 0.786 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 121.8 | -179.5 | 24.8 | -33.4 | 0 | 0 | 0 | 109.8 | S181 | P179-S181 PolarHBondContact O-N 2.71Š|
| 180 | L | 50.2 | Low | 51.2 | Low | 173 Ų | 173 | 115.8 Ų | 115.8 | 91% | 0.906 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 123.8 | 176.2 | -73.3 | 169.1 | 0 | 0 | 0 | 109.1 | P178 W182 | P178-L180 PolarHBondContact O-N 3.32Å; P178-L180 VanDerWaalsContact O-N 3.14Å; L180-W182 PolarHBondContact O-N 3.38Å |
| 181 | S | 53.1 | Low | 52.1 | Low | 105 Ų | 105 | 115 Ų | 115 | 73% | 0.734 | 72% | 0.719 | S | S | * | * | trans | -68 | 80.4 | -170.5 | -50 | 0 | 0 | 0 | 0 | 113.5 | P179 T183 | P179-S181 PolarHBondContact O-N 2.71Å; S181-T183 PolarHBondContact O-N 3.03Å; S181-T183 VanDerWaalsContact O-N 3.07Å | ||
| 182 | W | 50.4 | Low | 52.6 | Low | 191 Ų | 191 | 114.4 Ų | 114.4 | 72% | 0.723 | 72% | 0.716 | S | S | * | * | trans | -79.5 | 45.2 | 158.2 | -156.5 | -35.4 | 0 | 0 | 0 | 110.9 | Q163 L180 G184 | Q163-W182 VanDerWaalsContact CD-CH2 3.45Å; Q163-W182 HydrophobicContact CG-CH2 3.84Å; Q163-W182 HydrophobicContact CG-CZ2 4.35Å; Q163-W182 HydrophobicContact CG-CZ3 4.29Å; L180-W182 PolarHBondContact O-N 3.38Å; W182-G184 VanDerWaalsContact C-N 3.33Å | ||
| 183 | T | 50.4 | Low | 53.7 | Low | 129 Ų | 129 | 112.9 Ų | 112.9 | 79% | 0.791 | 69% | 0.693 | S | S | * | * | trans | -97.2 | 13.2 | 177.2 | -25.2 | 0 | 0 | 0 | 0 | 111.7 | S181 | S181-T183 PolarHBondContact O-N 3.03Å; S181-T183 VanDerWaalsContact O-N 3.07Å | ||
| 184 | G | 50.7 | Low | 55 | Low | 63 Ų | 63 | 111.9 Ų | 111.9 | 65% | 0.649 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -112.2 | 8.2 | -162.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | W182 | W182-G184 VanDerWaalsContact C-N 3.33Š|
| 185 | M | 56 | Low | 56.2 | Low | 144 Ų | 144 | 116.6 Ų | 116.6 | 71% | 0.709 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -143.7 | 21.9 | -175.1 | -114.4 | 172.1 | -171.4 | 0 | 0 | 116.3 | ||
| 186 | L | 51.9 | Low | 57.7 | Low | 138 Ų | 138 | 112.7 Ų | 112.7 | 72% | 0.723 | 67% | 0.669 | S | S | * | * | trans | -110 | 105.3 | 159.4 | -64.5 | 177.8 | 0 | 0 | 0 | 107.1 | S188 | L186-S188 PolarHBondContact O-N 2.63Š| ||
| 187 | H | 58.1 | Low | 58.5 | Low | 169 Ų | 169 | 116.6 Ų | 116.6 | 78% | 0.782 | 67% | 0.665 | S | S | * | * | trans | -79 | 1.8 | -171.7 | -70.6 | 88.9 | 0 | 0 | 0 | 114 | ||||
| 188 | S | 56.6 | Low | 59.9 | Low | 58 Ų | 58 | 114.6 Ų | 114.6 | 41% | 0.406 | 66% | 0.66 | S | S | . | * | S | Bend | trans | -137.9 | 161.7 | -179.3 | -51.3 | 0 | 0 | 0 | 0 | 111.9 | L186 Y193 | L186-S188 PolarHBondContact O-N 2.63Å; S188-Y193 PolarHBondContact N-OH 3.32Å |
| 189 | N | 66.5 | Low | 61.3 | Low | 114 Ų | 114 | 110.5 Ų | 110.5 | 61% | 0.61 | 64% | 0.638 | S | S | * | * | trans | -59.5 | 131.7 | 174.1 | 179.4 | 24.9 | 0 | 0 | 0 | 110.5 | G191 D192 Y193 | N189-G191 PolarHBondContact O-N 3.06Å; N189-D192 HydrophobicContact CB-CB 4.38Å; N189-D192 WeakPolarHBondContact O-CB 3.05Å; N189-D192 PolarHBondContact O-N 3.18Å; N189-Y193 WeakPolarHBondContact O-CD2 3.42Å; N189-Y193 WeakPolarHBondContact O-CE2 3.41Å | ||
| 190 | P | 63.8 | Low | 62.9 | Low | 98 Ų | 98 | 109.1 Ų | 109.1 | 64% | 0.636 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | -18.7 | -179.2 | 19.3 | -33.4 | 0 | 0 | 0 | 115.4 | ||
| 191 | G | 64.9 | Low | 64.3 | Low | 70 Ų | 70 | 104.7 Ų | 104.7 | 72% | 0.722 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -4.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116 | N189 | N189-G191 PolarHBondContact O-N 3.06Š|
| 192 | D | 61.3 | Low | 65.5 | Low | 124 Ų | 124 | 102.6 Ų | 102.6 | 66% | 0.663 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -96.5 | 0.2 | -177.9 | -162 | 37.3 | 0 | 0 | 0 | 112.7 | N189 | N189-D192 HydrophobicContact CB-CB 4.38Å; N189-D192 WeakPolarHBondContact O-CB 3.05Å; N189-D192 PolarHBondContact O-N 3.18Å |
| 193 | Y | 69.5 | Low | 66.8 | Low | 82 Ų | 82 | 97.1 Ų | 97.1 | 32% | 0.322 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -94.9 | 120 | 179.3 | -64.2 | -84 | 0 | 0 | 0 | 110.8 | S188 N189 W195 | S188-Y193 PolarHBondContact N-OH 3.32Å; N189-Y193 WeakPolarHBondContact O-CD2 3.42Å; N189-Y193 WeakPolarHBondContact O-CE2 3.41Å; Y193-W195 VanDerWaalsContact C-N 3.33Å; Y193-W195 AromaticContact CG-NE1 3.98Å; Y193-W195 VanDerWaalsContact O-CD1 3.24Å; Y193-W195 PolarHBondContact O-N 3Å |
| 194 | A | 75.6 | Confident | 68.3 | Low | 42 Ų | 42 | 95 Ų | 95 | 35% | 0.347 | 56% | 0.56 | S | S | . | * | trans | -71.2 | 82.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L200 V203 | A194-L200 HydrophobicContact CB-CD2 3.68Å; A194-L200 HydrophobicContact CB-CG 4.17Å; A194-V203 HydrophobicContact CB-CG2 4.18Å | ||
| 195 | W | 70.5 | Confident | 69.7 | Low | 209 Ų | 209 | 96.8 Ų | 96.8 | 79% | 0.792 | 56% | 0.558 | S | S | * | * | trans | -81.7 | 120 | 178.3 | -71.2 | 97.7 | 0 | 0 | 0 | 112 | Y193 | Y193-W195 VanDerWaalsContact C-N 3.33Å; Y193-W195 AromaticContact CG-NE1 3.98Å; Y193-W195 VanDerWaalsContact O-CD1 3.24Å; Y193-W195 PolarHBondContact O-N 3Å | ||
| 196 | G | 70.4 | Confident | 70.7 | Confident | 52 Ų | 52 | 96.4 Ų | 96.4 | 54% | 0.536 | 56% | 0.555 | S | S | . | * | S | Bend | trans | 76.3 | 169.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | G198 G199 L200 | G196-G198 PolarHBondContact O-N 3.38Å; G196-G199 PolarHBondContact O-N 3.17Å; G196-L200 PolarHBondContact O-N 2.94Å |
| 197 | Q | 65.1 | Low | 71.8 | Confident | 162 Ų | 162 | 94.7 Ų | 94.7 | 76% | 0.757 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -57.8 | -47.9 | -170.2 | -166.7 | 170.5 | -25.4 | 0 | 0 | 112.7 | G199 L200 D201 | Q197-G199 VanDerWaalsContact C-N 3.27Å; Q197-G199 PolarHBondContact O-N 3.03Å; Q197-L200 WeakPolarHBondContact O-CB 3.49Å; Q197-L200 PolarHBondContact O-N 3.24Å; Q197-L200 VanDerWaalsContact O-N 3.13Å; Q197-D201 VanDerWaalsContact O-CG 3.28Å; Q197-D201 PolarHBondContact O-N 3.01Å |
| 198 | G | 73.8 | Confident | 72.5 | Confident | 54 Ų | 54 | 90.9 Ų | 90.9 | 56% | 0.557 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67.7 | -19.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | G196 A202 | G196-G198 PolarHBondContact O-N 3.38Å; G198-A202 PolarHBondContact O-N 3.07Å |
| 199 | G | 79.8 | Confident | 73.1 | Confident | 23 Ų | 23 | 89.6 Ų | 89.6 | 24% | 0.237 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -74.2 | -36.9 | 172 | 0 | 0 | 0 | 0 | 0 | 111.9 | G196 Q197 V203 | G196-G199 PolarHBondContact O-N 3.17Å; Q197-G199 VanDerWaalsContact C-N 3.27Å; Q197-G199 PolarHBondContact O-N 3.03Å; G199-V203 PolarHBondContact O-N 3.06Å |
| 200 | L | 82.3 | Confident | 73 | Confident | 92 Ų | 92 | 89.8 Ų | 89.8 | 48% | 0.482 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.6 | -45.3 | 173 | -66.1 | 166.9 | 0 | 0 | 0 | 111 | A194 G196 Q197 A202 V203 I204 | A194-L200 HydrophobicContact CB-CD2 3.68Å; A194-L200 HydrophobicContact CB-CG 4.17Å; G196-L200 PolarHBondContact O-N 2.94Å; Q197-L200 WeakPolarHBondContact O-CB 3.49Å; Q197-L200 PolarHBondContact O-N 3.24Å; Q197-L200 VanDerWaalsContact O-N 3.13Å; L200-A202 VanDerWaalsContact C-N 3.25Å; L200-A202 PolarHBondContact O-N 3.08Å; L200-V203 PolarHBondContact O-N 3.4Å; L200-V203 VanDerWaalsContact O-N 3.12Å; L200-I204 VanDerWaalsContact O-CG1 3.29Å; L200-I204 WeakPolarHBondContact O-CG1 3.38Å; L200-I204 PolarHBondContact O-N 3Å |
| 201 | D | 80.1 | Confident | 72.8 | Confident | 80 Ų | 80 | 91.6 Ų | 91.6 | 43% | 0.428 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.6 | -36.1 | 179.6 | -63.4 | -29.2 | 0 | 0 | 0 | 112.4 | Q197 T205 | Q197-D201 VanDerWaalsContact O-CG 3.28Å; Q197-D201 PolarHBondContact O-N 3.01Å; D201-T205 WeakPolarHBondContact O-CB 3.45Å; D201-T205 PolarHBondContact O-N 3.31Å; D201-T205 PolarHBondContact O-OG1 3.44Å |
| 202 | A | 77 | Confident | 72.6 | Confident | 61 Ų | 61 | 95.1 Ų | 95.1 | 50% | 0.504 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.9 | -43.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G198 L200 T205 Q206 | G198-A202 PolarHBondContact O-N 3.07Å; L200-A202 VanDerWaalsContact C-N 3.25Å; L200-A202 PolarHBondContact O-N 3.08Å; A202-T205 PolarHBondContact O-N 3.33Å; A202-Q206 PolarHBondContact O-N 3.34Å |
| 203 | V | 79.3 | Confident | 72.5 | Confident | 75 Ų | 75 | 95.6 Ų | 95.6 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.6 | -42.3 | 175.7 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | A194 G199 L200 T205 Q206 L207 | A194-V203 HydrophobicContact CB-CG2 4.18Å; G199-V203 PolarHBondContact O-N 3.06Å; L200-V203 PolarHBondContact O-N 3.4Å; L200-V203 VanDerWaalsContact O-N 3.12Å; V203-T205 PolarHBondContact O-N 3.15Å; V203-Q206 PolarHBondContact O-N 3.42Å; V203-L207 HydrophobicContact CG1-CD1 3.94Å; V203-L207 HydrophobicContact CG1-CG 4.45Å; V203-L207 WeakPolarHBondContact O-CG 3.3Å; V203-L207 PolarHBondContact O-N 3.49Å |
| 204 | I | 81.3 | Confident | 71.7 | Confident | 86 Ų | 86 | 96.8 Ų | 96.8 | 44% | 0.441 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -58.9 | -48.8 | 175.3 | -69.8 | 165.2 | 0 | 0 | 0 | 110.1 | L200 Q206 L207 L208 | L200-I204 VanDerWaalsContact O-CG1 3.29Å; L200-I204 WeakPolarHBondContact O-CG1 3.38Å; L200-I204 PolarHBondContact O-N 3Å; I204-Q206 VanDerWaalsContact C-N 3.3Å; I204-Q206 PolarHBondContact O-N 3.33Å; I204-L207 PolarHBondContact O-N 3.11Å; I204-L208 HydrophobicContact CG2-CD1 3.79Å; I204-L208 WeakPolarHBondContact O-CD1 3.34Å; I204-L208 PolarHBondContact O-N 3.13Å |
| 205 | T | 79.4 | Confident | 70.7 | Confident | 99 Ų | 99 | 97.9 Ų | 97.9 | 61% | 0.607 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -60.2 | -39.8 | 179.6 | -58.4 | 0 | 0 | 0 | 0 | 111.9 | D201 A202 V203 G209 | D201-T205 WeakPolarHBondContact O-CB 3.45Å; D201-T205 PolarHBondContact O-N 3.31Å; D201-T205 PolarHBondContact O-OG1 3.44Å; A202-T205 PolarHBondContact O-N 3.33Å; V203-T205 PolarHBondContact O-N 3.15Å; T205-G209 PolarHBondContact O-N 2.71Å |
| 206 | Q | 77.3 | Confident | 69.7 | Low | 137 Ų | 137 | 92.6 Ų | 92.6 | 64% | 0.64 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -70.3 | -36.3 | 177.1 | -173 | 158.1 | -39.5 | 0 | 0 | 112.8 | A202 V203 I204 Q210 | A202-Q206 PolarHBondContact O-N 3.34Å; V203-Q206 PolarHBondContact O-N 3.42Å; I204-Q206 VanDerWaalsContact C-N 3.3Å; I204-Q206 PolarHBondContact O-N 3.33Å; Q206-Q210 WeakPolarHBondContact O-CG 3.44Å; Q206-Q210 PolarHBondContact O-N 3.1Å; Q206-Q210 VanDerWaalsContact O-N 3.12Å |
| 207 | L | 74.3 | Confident | 68.9 | Low | 101 Ų | 101 | 95.7 Ų | 95.7 | 53% | 0.529 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.8 | -40.5 | 174.7 | -72 | 169 | 0 | 0 | 0 | 112.2 | V203 I204 Q210 L211 | V203-L207 HydrophobicContact CG1-CD1 3.94Å; V203-L207 HydrophobicContact CG1-CG 4.45Å; V203-L207 WeakPolarHBondContact O-CG 3.3Å; V203-L207 PolarHBondContact O-N 3.49Å; I204-L207 PolarHBondContact O-N 3.11Å; L207-Q210 PolarHBondContact O-N 3.37Å; L207-L211 PolarHBondContact O-N 3.33Å; L207-L211 VanDerWaalsContact O-N 3.08Å |
| 208 | L | 73.1 | Confident | 68.2 | Low | 90 Ų | 90 | 93.4 Ų | 93.4 | 47% | 0.471 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.2 | -48.6 | 174.7 | -91 | 72.5 | 0 | 0 | 0 | 110.9 | I204 Q210 L211 E212 | I204-L208 HydrophobicContact CG2-CD1 3.79Å; I204-L208 WeakPolarHBondContact O-CD1 3.34Å; I204-L208 PolarHBondContact O-N 3.13Å; L208-Q210 PolarHBondContact O-N 2.86Å; L208-L211 PolarHBondContact O-N 2.99Å; L208-E212 VanDerWaalsContact O-CG 3.28Å; L208-E212 WeakPolarHBondContact O-CG 3.5Å; L208-E212 PolarHBondContact O-N 3.41Å |
| 209 | G | 70.4 | Confident | 66.9 | Low | 30 Ų | 30 | 93.2 Ų | 93.2 | 31% | 0.309 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.7 | -26.4 | 178 | 0 | 0 | 0 | 0 | 0 | 114.4 | T205 N213 | T205-G209 PolarHBondContact O-N 2.71Å; G209-N213 PolarHBondContact O-ND2 2.97Å |
| 210 | Q | 62.9 | Low | 65.6 | Low | 118 Ų | 118 | 98.9 Ų | 98.9 | 55% | 0.551 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -75.1 | -35.8 | 171.1 | -76.6 | -178.2 | -39.9 | 0 | 0 | 112.9 | Q206 L207 L208 | Q206-Q210 WeakPolarHBondContact O-CG 3.44Å; Q206-Q210 PolarHBondContact O-N 3.1Å; Q206-Q210 VanDerWaalsContact O-N 3.12Å; L207-Q210 PolarHBondContact O-N 3.37Å; L208-Q210 PolarHBondContact O-N 2.86Å |
| 211 | L | 60.8 | Low | 64.3 | Low | 136 Ų | 136 | 100.9 Ų | 100.9 | 71% | 0.712 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -74.4 | -34.6 | 178.5 | -171.7 | 67.1 | 0 | 0 | 0 | 112.7 | L207 L208 N213 | L207-L211 PolarHBondContact O-N 3.33Å; L207-L211 VanDerWaalsContact O-N 3.08Å; L208-L211 PolarHBondContact O-N 2.99Å; L211-N213 PolarHBondContact O-N 2.88Å; L211-N213 VanDerWaalsContact O-N 3.16Å |
| 212 | E | 60.6 | Low | 63.1 | Low | 144 Ų | 144 | 104.7 Ų | 104.7 | 67% | 0.673 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -14.9 | -175.9 | -75.6 | 169.2 | 163.2 | 0 | 0 | 114.7 | L208 | L208-E212 VanDerWaalsContact O-CG 3.28Å; L208-E212 WeakPolarHBondContact O-CG 3.5Å; L208-E212 PolarHBondContact O-N 3.41Å |
| 213 | N | 58.1 | Low | 61.9 | Low | 135 Ų | 135 | 108.7 Ų | 108.7 | 72% | 0.722 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.4 | 7.2 | -169.8 | -66.5 | -80.9 | 0 | 0 | 0 | 114.7 | G209 L211 | G209-N213 PolarHBondContact O-ND2 2.97Å; L211-N213 PolarHBondContact O-N 2.88Å; L211-N213 VanDerWaalsContact O-N 3.16Å |
| 214 | T | 53.1 | Low | 60.7 | Low | 107 Ų | 107 | 105.7 Ų | 105.7 | 66% | 0.656 | 58% | 0.582 | S | S | * | * | trans | -107.9 | 21.8 | -179.4 | 57.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 215 | G | 55.3 | Low | 59.4 | Low | 65 Ų | 65 | 105.5 Ų | 105.5 | 67% | 0.67 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 124.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 216 | P | 50.3 | Low | 58.2 | Low | 97 Ų | 97 | 105.2 Ų | 105.2 | 63% | 0.63 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 154.4 | 166.4 | 25.8 | -32.5 | 0 | 0 | 0 | 110.3 | ||
| 217 | P | 53.2 | Low | 57.3 | Low | 118 Ų | 118 | 100.3 Ų | 100.3 | 77% | 0.766 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 144.4 | -175.8 | 24.1 | -34.4 | 0 | 0 | 0 | 111.4 | A219 | P217-A219 PolarHBondContact O-N 3.04Š|
| 218 | P | 49.2 | Very low | 56.5 | Low | 114 Ų | 114 | 99.4 Ų | 99.4 | 74% | 0.74 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 128 | -169.2 | 22.6 | -34.4 | 0 | 0 | 0 | 111.5 | E220 | P218-E220 PolarHBondContact O-N 2.98Š|
| 219 | A | 47.4 | Very low | 55.7 | Low | 50 Ų | 50 | 98.6 Ų | 98.6 | 41% | 0.413 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -58.3 | 135.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | P217 K221 I224 | P217-A219 PolarHBondContact O-N 3.04Å; A219-K221 PolarHBondContact O-N 2.81Å; A219-K221 VanDerWaalsContact O-N 3.1Å; A219-I224 HydrophobicContact CB-CD1 4.32Å |
| 220 | E | 51.5 | Low | 55.4 | Low | 142 Ų | 142 | 99.4 Ų | 99.4 | 66% | 0.664 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 117.3 | -179.1 | -67.3 | 173.5 | 158.3 | 0 | 0 | 110 | P218 E222 K223 I224 | P218-E220 PolarHBondContact O-N 2.98Å; E220-E222 PolarHBondContact O-N 3.48Å; E220-K223 WeakPolarHBondContact O-CB 3.47Å; E220-K223 PolarHBondContact O-N 3.29Å; E220-I224 PolarHBondContact O-N 2.98Å |
| 221 | K | 56.7 | Low | 55.2 | Low | 134 Ų | 134 | 97.4 Ų | 97.4 | 58% | 0.583 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -53.1 | -28.7 | -176.2 | -61.3 | 174.4 | 178.9 | -84.1 | 0 | 112.7 | A219 I224 S225 E275 | A219-K221 PolarHBondContact O-N 2.81Å; A219-K221 VanDerWaalsContact O-N 3.1Å; K221-I224 PolarHBondContact O-N 2.85Å; K221-S225 PolarHBondContact O-N 3.18Å; K221-E275 IonicContact NZ-OE1 2.63Å; K221-E275 PolarHBondContact NZ-OE1 2.89Å; K221-E275 IonicContact NZ-OE2 3.03Å; K221-E275 PolarHBondContact NZ-OE2 3.43Å |
| 222 | E | 53.4 | Low | 55.2 | Low | 160 Ų | 160 | 91.3 Ų | 91.3 | 75% | 0.748 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.7 | -42.3 | 174.8 | -59.2 | -171.5 | 173.6 | 0 | 0 | 112.3 | E220 S225 S226 | E220-E222 PolarHBondContact O-N 3.48Å; E222-S225 PolarHBondContact O-N 2.96Å; E222-S225 PolarHBondContact O-OG 3.04Å; E222-S226 PolarHBondContact O-N 3.45Å; E222-S226 VanDerWaalsContact O-N 3.07Å |
| 223 | K | 52.6 | Low | 55.1 | Low | 145 Ų | 145 | 87.6 Ų | 87.6 | 63% | 0.63 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.2 | -40.8 | 172.6 | -93.8 | -177.8 | 175.2 | 176.8 | 0 | 112 | E220 S225 S226 | E220-K223 WeakPolarHBondContact O-CB 3.47Å; E220-K223 PolarHBondContact O-N 3.29Å; K223-S225 VanDerWaalsContact C-N 3.28Å; K223-S225 PolarHBondContact O-N 2.81Å; K223-S226 PolarHBondContact O-N 3.29Å; K223-S226 VanDerWaalsContact O-N 3.1Å; K223-S226 PolarHBondContact O-OG 3.28Å |
| 224 | I | 54.4 | Low | 54.9 | Low | 11 Ų | 11 | 86.4 Ų | 86.4 | 6% | 0.056 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -60.5 | -41.7 | 174.4 | -55.7 | 174.8 | 0 | 0 | 0 | 109.5 | A219 E220 K221 S226 L227 R257 V271 L274 E275 | A219-I224 HydrophobicContact CB-CD1 4.32Å; E220-I224 PolarHBondContact O-N 2.98Å; K221-I224 PolarHBondContact O-N 2.85Å; I224-S226 VanDerWaalsContact C-N 3.26Å; I224-S226 PolarHBondContact O-N 3.44Å; I224-L227 PolarHBondContact O-N 3.3Å; I224-R257 PolarHBondContact O-NH1 2.89Å; I224-V271 HydrophobicContact CG2-CG1 4.43Å; I224-V271 HydrophobicContact CG2-CG2 4.13Å; I224-L274 HydrophobicContact CG2-CB 4.46Å; I224-E275 HydrophobicContact CD1-CG 3.9Å |
| 225 | S | 53.5 | Low | 55.1 | Low | 83 Ų | 83 | 88.5 Ų | 88.5 | 58% | 0.58 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.2 | -25.5 | 176.5 | 80.3 | 0 | 0 | 0 | 0 | 114.2 | K221 E222 K223 | K221-S225 PolarHBondContact O-N 3.18Å; E222-S225 PolarHBondContact O-N 2.96Å; E222-S225 PolarHBondContact O-OG 3.04Å; K223-S225 VanDerWaalsContact C-N 3.28Å; K223-S225 PolarHBondContact O-N 2.81Å |
| 226 | S | 53.3 | Low | 55.2 | Low | 92 Ų | 92 | 88.6 Ų | 88.6 | 64% | 0.643 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -3.8 | -179.7 | 75.7 | 0 | 0 | 0 | 0 | 115.5 | E222 K223 I224 | E222-S226 PolarHBondContact O-N 3.45Å; E222-S226 VanDerWaalsContact O-N 3.07Å; K223-S226 PolarHBondContact O-N 3.29Å; K223-S226 VanDerWaalsContact O-N 3.1Å; K223-S226 PolarHBondContact O-OG 3.28Å; I224-S226 VanDerWaalsContact C-N 3.26Å; I224-S226 PolarHBondContact O-N 3.44Å |
| 227 | L | 59.8 | Low | 55.5 | Low | 35 Ų | 35 | 85 Ų | 85 | 18% | 0.183 | 47% | 0.474 | C | S | . | . | S | Bend | trans | -61.4 | 137.7 | 177.8 | -69.8 | 173.9 | 0 | 0 | 0 | 111.1 | I224 T229 L274 L287 | I224-L227 PolarHBondContact O-N 3.3Å; L227-T229 PolarHBondContact O-N 3.18Å; L227-L274 HydrophobicContact CD1-CD1 3.7Å; L227-L287 HydrophobicContact CD1-CD1 4.23Å |
| 228 | P | 56.6 | Low | 55.4 | Low | 82 Ų | 82 | 83.8 Ų | 83.8 | 53% | 0.532 | 46% | 0.461 | S | S | . | . | trans | -61.3 | 109.5 | -176.5 | 25.3 | -33.8 | 0 | 0 | 0 | 110.2 | V230 | P228-V230 PolarHBondContact O-N 2.83Š| ||
| 229 | T | 56.6 | Low | 55.8 | Low | 73 Ų | 73 | 80 Ų | 80 | 45% | 0.448 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 112.3 | 170.5 | -56.4 | 0 | 0 | 0 | 0 | 106.8 | L227 P255 V256 | L227-T229 PolarHBondContact O-N 3.18Å; T229-P255 HydrophobicContact CG2-CB 3.58Å; T229-V256 CarbonylContact C-O 3.55Å; T229-V256 WeakPolarHBondContact CA-O 3.37Å; T229-V256 WeakPolarHBondContact CG2-O 3.28Å |
| 230 | V | 63.5 | Low | 56.1 | Low | 47 Ų | 47 | 79.4 Ų | 79.4 | 29% | 0.285 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 125.4 | -178.9 | -179.6 | 0 | 0 | 0 | 0 | 106.7 | P228 V256 Q258 | P228-V230 PolarHBondContact O-N 2.83Å; V230-V256 PolarHBondContact N-O 2.88Å; V230-V256 WeakPolarHBondContact O-CG2 3.42Å; V230-V256 PolarHBondContact O-N 3.06Å; V230-V256 VanDerWaalsContact O-O 3.06Å; V230-Q258 HydrophobicContact CG2-CB 4.26Å |
| 231 | S | 59.4 | Low | 56.8 | Low | 75 Ų | 75 | 76.7 Ų | 76.7 | 52% | 0.524 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 128.6 | 172.2 | 54.3 | 0 | 0 | 0 | 0 | 109.9 | T233 | S231-T233 PolarHBondContact O-N 3Å |
| 232 | I | 60 | Low | 57.9 | Low | 9 Ų | 9 | 74.7 Ų | 74.7 | 5% | 0.046 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -54.7 | 124.8 | 174.1 | -68.4 | 130.4 | 0 | 0 | 0 | 110.3 | Q236 A237 F250 A251 G253 E254 V256 | I232-Q236 HydrophobicContact CG2-CB 4.15Å; I232-A237 HydrophobicContact CG2-CB 3.87Å; I232-F250 HydrophobicContact CD1-CB 3.6Å; I232-F250 HydrophobicContact CD1-CD1 3.98Å; I232-F250 HydrophobicContact CD1-CG 3.93Å; I232-F250 HydrophobicContact CG1-CB 4.17Å; I232-F250 HydrophobicContact CG1-CG 4.47Å; I232-A251 WeakPolarHBondContact CD1-O 3.31Å; I232-G253 PolarHBondContact O-N 3.08Å; I232-E254 HydrophobicContact CD1-CB 3.92Å; I232-V256 HydrophobicContact CD1-CB 4.28Å; I232-V256 HydrophobicContact CD1-CG1 3.43Å; I232-V256 VanDerWaalsContact CD1-CG1 3.43Å; I232-V256 HydrophobicContact CD1-CG2 3.94Å; I232-V256 HydrophobicContact CG1-CG1 4.06Å; I232-V256 HydrophobicContact CG1-CG2 3.69Å |
| 233 | T | 59.8 | Low | 59.3 | Low | 66 Ų | 66 | 67 Ų | 67 | 41% | 0.405 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -78.2 | 153.1 | 166.9 | 61.7 | 0 | 0 | 0 | 0 | 110 | S231 E235 Q236 A237 | S231-T233 PolarHBondContact O-N 3Å; T233-E235 PolarHBondContact O-N 3.36Å; T233-E235 VanDerWaalsContact O-N 3.09Å; T233-Q236 PolarHBondContact O-N 3.33Å; T233-A237 PolarHBondContact O-N 3.14Å |
| 234 | Q | 54 | Low | 60.6 | Low | 110 Ų | 110 | 63.3 Ų | 63.3 | 51% | 0.514 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -47.7 | -41.6 | 178.7 | -171.3 | 76.3 | 52 | 0 | 0 | 112 | Q236 A237 D238 | Q234-Q236 VanDerWaalsContact C-N 3.3Å; Q234-Q236 PolarHBondContact O-N 3.27Å; Q234-A237 PolarHBondContact O-N 3.39Å; Q234-D238 WeakPolarHBondContact O-CB 3.42Å; Q234-D238 PolarHBondContact O-N 3.38Å |
| 235 | E | 57.2 | Low | 61.9 | Low | 150 Ų | 150 | 66 Ų | 66 | 70% | 0.701 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -60.1 | -33.1 | 179.4 | -58.9 | 163.3 | -122.1 | 0 | 0 | 113.6 | T233 C239 | T233-E235 PolarHBondContact O-N 3.36Å; T233-E235 VanDerWaalsContact O-N 3.09Å; E235-C239 PolarHBondContact O-SG 3.16Å |
| 236 | Q | 56.5 | Low | 63.2 | Low | 67 Ų | 67 | 64.1 Ų | 64.1 | 31% | 0.313 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -83.4 | -31.6 | 179.2 | -67.4 | -179.1 | -51.6 | 0 | 0 | 112.4 | I232 T233 Q234 C239 | I232-Q236 HydrophobicContact CG2-CB 4.15Å; T233-Q236 PolarHBondContact O-N 3.33Å; Q234-Q236 VanDerWaalsContact C-N 3.3Å; Q234-Q236 PolarHBondContact O-N 3.27Å; Q236-C239 PolarHBondContact O-N 2.93Å |
| 237 | A | 56.7 | Low | 64.5 | Low | 21 Ų | 21 | 66.7 Ų | 66.7 | 17% | 0.174 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.7 | -41.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | I232 T233 Q234 C239 C240 V252 | I232-A237 HydrophobicContact CG2-CB 3.87Å; T233-A237 PolarHBondContact O-N 3.14Å; Q234-A237 PolarHBondContact O-N 3.39Å; A237-C239 PolarHBondContact O-N 3.19Å; A237-C239 VanDerWaalsContact O-N 3.12Å; A237-C240 PolarHBondContact O-N 2.97Å; A237-V252 HydrophobicContact CB-CG2 3.7Å |
| 238 | D | 51.9 | Low | 65.4 | Low | 94 Ų | 94 | 70.7 Ų | 70.7 | 50% | 0.503 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -15.6 | 177.6 | -67.9 | -12.1 | 0 | 0 | 0 | 113.1 | Q234 C240 | Q234-D238 WeakPolarHBondContact O-CB 3.42Å; Q234-D238 PolarHBondContact O-N 3.38Å; D238-C240 VanDerWaalsContact C-N 3.32Å |
| 239 | C | 56 | Low | 66.5 | Low | 35 Ų | 35 | 71.5 Ų | 71.5 | 24% | 0.236 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 4.7 | 172.3 | -68.1 | 0 | 0 | 0 | 0 | 114.3 | C16 E235 Q236 A237 M241 | C16-C239 CarbonylContact O-C 3.51Å; C16-C239 VanDerWaalsContact O-C 3.27Å; E235-C239 PolarHBondContact O-SG 3.16Å; Q236-C239 PolarHBondContact O-N 2.93Å; A237-C239 PolarHBondContact O-N 3.19Å; A237-C239 VanDerWaalsContact O-N 3.12Å; C239-M241 VanDerWaalsContact C-N 3.34Å; C239-M241 HydrophobicContact CB-CG 4.42Å; C239-M241 PolarHBondContact O-N 2.9Å |
| 240 | C | 54.7 | Low | 67.5 | Low | 37 Ų | 37 | 68.7 Ų | 68.7 | 25% | 0.25 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 45.6 | 178.9 | -57.4 | 0 | 0 | 0 | 0 | 113.8 | C16 K18 A237 D238 E242 | C16-C240 WeakPolarHBondContact O-CB 3.44Å; C16-C240 PolarHBondContact O-SG 2.73Å; K18-C240 HydrophobicContact CD-CB 4.49Å; K18-C240 WeakPolarHBondContact CD-SG 3.45Å; K18-C240 WeakPolarHBondContact CE-SG 3.45Å; A237-C240 PolarHBondContact O-N 2.97Å; D238-C240 VanDerWaalsContact C-N 3.32Å; C240-E242 PolarHBondContact O-N 2.69Å |
| 241 | M | 65.6 | Low | 67.9 | Low | 85 Ų | 85 | 69 Ų | 69 | 42% | 0.419 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 119 | 172.1 | -65.8 | -71.4 | -72.7 | 0 | 0 | 109 | C239 F250 F264 | C239-M241 VanDerWaalsContact C-N 3.34Å; C239-M241 HydrophobicContact CB-CG 4.42Å; C239-M241 PolarHBondContact O-N 2.9Å; M241-F250 HydrophobicContact CB-CD2 3.62Å; M241-F250 HydrophobicContact CB-CE2 4.05Å; M241-F250 WeakPolarHBondContact O-CD2 3.18Å; M241-F250 PolarHBondContact O-N 2.91Å; M241-F264 HydrophobicContact CE-CD2 3.94Å |
| 242 | E | 79.8 | Confident | 68.4 | Low | 91 Ų | 91 | 69.2 Ų | 69.2 | 43% | 0.425 | 37% | 0.372 | S | S | . | . | B | Isolated β-bridge | trans | -97.3 | 142.9 | 175.8 | -179.2 | -169.6 | 126.3 | 0 | 0 | 109.6 | C240 P244 K247 | C240-E242 PolarHBondContact O-N 2.69Å; E242-P244 VanDerWaalsContact O-CD 3.3Å; E242-P244 WeakPolarHBondContact O-CD 3.46Å; E242-K247 WeakPolarHBondContact OE1-CA 3.29Å; E242-K247 WeakPolarHBondContact OE1-CB 3.47Å; E242-K247 IonicContact OE1-NZ 3.89Å; E242-K247 PolarHBondContact OE1-NZ 3.12Å |
| 243 | C | 82.8 | Confident | 68.7 | Low | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 119.1 | 169.4 | -174.7 | 0 | 0 | 0 | 0 | 111.1 | V245 K247 E248 F250 H266 | C243-V245 PolarHBondContact O-N 2.96Å; C243-K247 WeakPolarHBondContact O-CA 3.41Å; C243-K247 PolarHBondContact O-N 2.56Å; C243-E248 PolarHBondContact N-O 3.36Å; C243-F250 HydrophobicContact CB-CE1 3.7Å; C243-F250 HydrophobicContact CB-CZ 3.65Å; C243-H266 WeakPolarHBondContact CB-CE1 3.21Å; C243-H266 VanDerWaalsContact CB-ND1 3.32Å; C243-H266 WeakPolarHBondContact CB-ND1 3.28Å |
| 244 | P | 81.1 | Confident | 69.3 | Low | 66 Ų | 66 | 71.2 Ų | 71.2 | 43% | 0.429 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -12.9 | -175.8 | -24.3 | 34.8 | 0 | 0 | 0 | 115.7 | E242 F265 V282 | E242-P244 VanDerWaalsContact O-CD 3.3Å; E242-P244 WeakPolarHBondContact O-CD 3.46Å; P244-F265 HydrophobicContact CB-CE1 4.33Å; P244-F265 HydrophobicContact CG-CD1 4.49Å; P244-F265 HydrophobicContact CG-CE1 3.98Å; P244-V282 HydrophobicContact CB-CG2 4.29Å; P244-V282 HydrophobicContact CG-CG2 4.01Å |
| 245 | V | 80.9 | Confident | 70.2 | Confident | 67 Ų | 67 | 69.1 Ų | 69.1 | 41% | 0.406 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -51.4 | -175.2 | -179.8 | 0 | 0 | 0 | 0 | 111.9 | C243 F265 C269 | C243-V245 PolarHBondContact O-N 2.96Å; V245-F265 HydrophobicContact CG2-CD1 3.95Å; V245-F265 HydrophobicContact CG2-CE1 4.27Å; V245-C269 HydrophobicContact CB-CB 3.95Å; V245-C269 HydrophobicContact CG1-CB 3.9Å |
| 246 | C | 81 | Confident | 71.2 | Confident | 45 Ų | 45 | 62 Ų | 62 | 30% | 0.304 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -13.2 | 179 | 62.2 | 0 | 0 | 0 | 0 | 114.5 | E248 H266 | C246-E248 HydrophobicContact CB-CG 4.38Å; C246-E248 PolarHBondContact SG-OE2 3.05Å; C246-H266 PolarHBondContact SG-CE1 2.91Å; C246-H266 PolarHBondContact SG-ND1 3.04Å |
| 247 | K | 81.2 | Confident | 72.1 | Confident | 146 Ų | 146 | 60.1 Ų | 60.1 | 64% | 0.635 | 34% | 0.344 | S | S | * | . | trans | 65.8 | 32.8 | -178 | -48.6 | -167.1 | 146.7 | -64.8 | 0 | 115 | E242 C243 | E242-K247 WeakPolarHBondContact OE1-CA 3.29Å; E242-K247 WeakPolarHBondContact OE1-CB 3.47Å; E242-K247 IonicContact OE1-NZ 3.89Å; E242-K247 PolarHBondContact OE1-NZ 3.12Å; C243-K247 WeakPolarHBondContact O-CA 3.41Å; C243-K247 PolarHBondContact O-N 2.56Å | ||
| 248 | E | 78.4 | Confident | 73.3 | Confident | 118 Ų | 118 | 61.7 Ų | 61.7 | 55% | 0.551 | 35% | 0.348 | S | S | * | . | trans | -109.4 | 141.8 | 179.2 | -63.9 | 167.3 | 145.9 | 0 | 0 | 110.4 | C243 C246 | C243-E248 PolarHBondContact N-O 3.36Å; C246-E248 HydrophobicContact CB-CG 4.38Å; C246-E248 PolarHBondContact SG-OE2 3.05Å | ||
| 249 | D | 79.4 | Confident | 74.6 | Confident | 100 Ų | 100 | 57.4 Ų | 57.4 | 54% | 0.535 | 33% | 0.325 | S | S | . | . | B | Isolated β-bridge | trans | -66.7 | 132.7 | 172.4 | -77 | -44.5 | 0 | 0 | 0 | 109.5 | K18 | K18-D249 IonicContact NZ-OD1 3.61Å; K18-D249 IonicContact NZ-OD2 2.74Å |
| 250 | F | 77 | Confident | 75.5 | Confident | 14 Ų | 14 | 59.9 Ų | 59.9 | 6% | 0.061 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 128.9 | -179.6 | -75.3 | -52.9 | 0 | 0 | 0 | 113.6 | I232 M241 C243 V256 F264 H266 | I232-F250 HydrophobicContact CD1-CB 3.6Å; I232-F250 HydrophobicContact CD1-CD1 3.98Å; I232-F250 HydrophobicContact CD1-CG 3.93Å; I232-F250 HydrophobicContact CG1-CB 4.17Å; I232-F250 HydrophobicContact CG1-CG 4.47Å; M241-F250 HydrophobicContact CB-CD2 3.62Å; M241-F250 HydrophobicContact CB-CE2 4.05Å; M241-F250 WeakPolarHBondContact O-CD2 3.18Å; M241-F250 PolarHBondContact O-N 2.91Å; C243-F250 HydrophobicContact CB-CE1 3.7Å; C243-F250 HydrophobicContact CB-CZ 3.65Å; F250-V256 HydrophobicContact CD1-CG1 3.37Å; F250-V256 HydrophobicContact CE1-CG1 3.3Å; F250-V256 HydrophobicContact CG-CG1 4.21Å; F250-V256 HydrophobicContact CZ-CG1 4.08Å; F250-F264 HydrophobicContact CE2-CB 4.19Å; F250-F264 HydrophobicContact CZ-CB 4.26Å; F250-H266 AromaticContact CD1-CD2 3.57Å; F250-H266 AromaticContact CD1-CE1 3.87Å; F250-H266 AromaticContact CD1-NE2 3.12Å; F250-H266 WeakPolarHBondContact CD1-NE2 3.29Å; F250-H266 AromaticContact CE1-CD2 3.54Å; F250-H266 AromaticContact CE1-CE1 3.76Å; F250-H266 AromaticContact CE1-CG 3.97Å; F250-H266 AromaticContact CE1-NE2 3.35Å; F250-H266 WeakPolarHBondContact CE1-NE2 3.46Å |
| 251 | A | 72.2 | Confident | 76.5 | Confident | 52 Ų | 52 | 59.6 Ų | 59.6 | 43% | 0.43 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -85.6 | 146.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | I232 G253 E254 | I232-A251 WeakPolarHBondContact CD1-O 3.31Å; A251-G253 PolarHBondContact O-N 2.72Å; A251-E254 HydrophobicContact CB-CB 4.24Å; A251-E254 WeakPolarHBondContact CB-OE2 3.35Å; A251-E254 PolarHBondContact N-OE2 3.35Å; A251-E254 WeakPolarHBondContact O-CB 3.29Å; A251-E254 PolarHBondContact O-N 3.17Å |
| 252 | V | 70.2 | Confident | 76.9 | Confident | 80 Ų | 80 | 60.8 Ų | 60.8 | 49% | 0.485 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 123.4 | 179.7 | -177.9 | 0 | 0 | 0 | 0 | 110.7 | A237 | A237-V252 HydrophobicContact CB-CG2 3.7Š|
| 253 | G | 66.7 | Low | 77 | Confident | 53 Ų | 53 | 59 Ų | 59 | 55% | 0.546 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84 | 4.7 | -177 | 0 | 0 | 0 | 0 | 0 | 115.2 | I232 A251 | I232-G253 PolarHBondContact O-N 3.08Å; A251-G253 PolarHBondContact O-N 2.72Å |
| 254 | E | 72.4 | Confident | 76.9 | Confident | 65 Ų | 65 | 60.9 Ų | 60.9 | 30% | 0.304 | 35% | 0.346 | S | S | . | . | trans | -72.5 | 144.3 | 175.9 | -165.4 | 173.7 | -179.2 | 0 | 0 | 112 | I232 A251 V256 H266 | I232-E254 HydrophobicContact CD1-CB 3.92Å; A251-E254 HydrophobicContact CB-CB 4.24Å; A251-E254 WeakPolarHBondContact CB-OE2 3.35Å; A251-E254 PolarHBondContact N-OE2 3.35Å; A251-E254 WeakPolarHBondContact O-CB 3.29Å; A251-E254 PolarHBondContact O-N 3.17Å; E254-V256 PolarHBondContact O-N 3.5Å; E254-V256 VanDerWaalsContact O-N 3.09Å; E254-H266 IonicContact OE1-CD2 3.85Å; E254-H266 PolarHBondContact OE1-CD2 2.97Å; E254-H266 IonicContact OE1-NE2 3.55Å; E254-H266 IonicContact OE2-CD2 3.64Å; E254-H266 IonicContact OE2-NE2 3.16Å | ||
| 255 | P | 71.8 | Confident | 77 | Confident | 65 Ų | 65 | 57.7 Ų | 57.7 | 42% | 0.422 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 91.6 | 179.2 | 30.7 | -35.8 | 0 | 0 | 0 | 112.3 | T229 S267 | T229-P255 HydrophobicContact CG2-CB 3.58Å; P255-S267 PolarHBondContact O-N 3.3Å |
| 256 | V | 78.6 | Confident | 77.1 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.006 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 153.6 | 166.9 | -66.6 | 0 | 0 | 0 | 0 | 112.2 | T229 V230 I232 F250 E254 F264 F265 | T229-V256 CarbonylContact C-O 3.55Å; T229-V256 WeakPolarHBondContact CA-O 3.37Å; T229-V256 WeakPolarHBondContact CG2-O 3.28Å; V230-V256 PolarHBondContact N-O 2.88Å; V230-V256 WeakPolarHBondContact O-CG2 3.42Å; V230-V256 PolarHBondContact O-N 3.06Å; V230-V256 VanDerWaalsContact O-O 3.06Å; I232-V256 HydrophobicContact CD1-CB 4.28Å; I232-V256 HydrophobicContact CD1-CG1 3.43Å; I232-V256 VanDerWaalsContact CD1-CG1 3.43Å; I232-V256 HydrophobicContact CD1-CG2 3.94Å; I232-V256 HydrophobicContact CG1-CG1 4.06Å; I232-V256 HydrophobicContact CG1-CG2 3.69Å; F250-V256 HydrophobicContact CD1-CG1 3.37Å; F250-V256 HydrophobicContact CE1-CG1 3.3Å; F250-V256 HydrophobicContact CG-CG1 4.21Å; F250-V256 HydrophobicContact CZ-CG1 4.08Å; E254-V256 PolarHBondContact O-N 3.5Å; E254-V256 VanDerWaalsContact O-N 3.09Å; V256-F264 HydrophobicContact CG2-CD1 4.26Å; V256-F265 CarbonylContact C-O 3.56Å; V256-F265 VanDerWaalsContact CA-O 3.27Å; V256-F265 WeakPolarHBondContact CA-O 3.34Å; V256-F265 WeakPolarHBondContact CB-O 3.42Å |
| 257 | R | 76.5 | Confident | 76.9 | Confident | 27 Ų | 27 | 53.9 Ų | 53.9 | 10% | 0.102 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 126.9 | 173.4 | -66.9 | 179.7 | 169.3 | -129.5 | -10.4 | 108.8 | I224 F265 I270 | I224-R257 PolarHBondContact O-NH1 2.89Å; R257-F265 PolarHBondContact N-O 3.42Å; R257-F265 PolarHBondContact O-N 2.96Å; R257-I270 HydrophobicContact CB-CG2 3.98Å; R257-I270 HydrophobicContact CG-CG2 4.28Å |
| 258 | Q | 81.8 | Confident | 76.9 | Confident | 54 Ų | 54 | 53.3 Ų | 53.3 | 25% | 0.252 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 123.9 | 173.2 | -174.2 | 177.6 | -1.6 | 0 | 0 | 108.9 | V230 N262 F264 | V230-Q258 HydrophobicContact CG2-CB 4.26Å; Q258-N262 PolarHBondContact NE2-OD1 3.12Å; Q258-F264 HydrophobicContact CB-CD1 4.05Å; Q258-F264 HydrophobicContact CB-CE1 3.91Å; Q258-F264 HydrophobicContact CG-CD1 4.18Å; Q258-F264 HydrophobicContact CG-CE1 3.73Å; Q258-F264 HydrophobicContact CG-CZ 4.17Å |
| 259 | L | 78.6 | Confident | 77 | Confident | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | trans | -80.2 | 158.5 | 172.3 | -83.6 | 68.3 | 0 | 0 | 0 | 110.4 | C261 N262 H263 F265 I270 C280 L287 | L259-C261 VanDerWaalsContact CB-SG 3.53Å; L259-C261 PolarHBondContact O-N 3.26Å; L259-N262 PolarHBondContact O-N 3.31Å; L259-H263 PolarHBondContact N-O 3.41Å; L259-F265 HydrophobicContact CD1-CD2 3.61Å; L259-F265 HydrophobicContact CD1-CE2 3.78Å; L259-F265 HydrophobicContact CD2-CE2 4.16Å; L259-F265 HydrophobicContact CG-CE2 4.5Å; L259-I270 HydrophobicContact CD1-CG1 4.03Å; L259-C280 HydrophobicContact CD2-CB 3.69Å; L259-L287 HydrophobicContact CB-CD2 4.32Å; L259-L287 HydrophobicContact CD2-CD2 3.72Å; L259-L287 HydrophobicContact CG-CD2 3.7Å | ||
| 260 | P | 74.7 | Confident | 77.2 | Confident | 88 Ų | 88 | 44.2 Ų | 44.2 | 57% | 0.571 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -15.5 | 175.8 | 24.2 | -35.1 | 0 | 0 | 0 | 113.9 | N262 L287 | P260-N262 VanDerWaalsContact C-N 3.34Å; P260-L287 HydrophobicContact CG-CD2 4.13Å |
| 261 | C | 75.8 | Confident | 77.4 | Confident | 30 Ų | 30 | 45.4 Ų | 45.4 | 20% | 0.203 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 15.3 | 172.4 | 60.3 | 0 | 0 | 0 | 0 | 114.6 | L259 H263 C283 | L259-C261 VanDerWaalsContact CB-SG 3.53Å; L259-C261 PolarHBondContact O-N 3.26Å; C261-H263 VanDerWaalsContact C-N 3.25Å; C261-H263 PolarHBondContact O-CE1 3.25Å; C261-H263 PolarHBondContact O-N 3.02Å; C261-H263 PolarHBondContact O-ND1 3.38Å; C261-H263 PolarHBondContact SG-ND1 3.13Å; C261-C283 WeakPolarHBondContact CB-SG 3.44Å |
| 262 | N | 75.1 | Confident | 77.9 | Confident | 110 Ų | 110 | 46.1 Ų | 46.1 | 59% | 0.588 | 27% | 0.271 | S | S | * | . | S | Bend | trans | 60.6 | 21.6 | 179.7 | -61 | -50.6 | 0 | 0 | 0 | 116.4 | Q258 L259 P260 | Q258-N262 PolarHBondContact NE2-OD1 3.12Å; L259-N262 PolarHBondContact O-N 3.31Å; P260-N262 VanDerWaalsContact C-N 3.34Å |
| 263 | H | 81.1 | Confident | 78.5 | Confident | 53 Ų | 53 | 44.9 Ų | 44.9 | 25% | 0.245 | 26% | 0.257 | C | S | . | . | trans | -91.9 | 140.1 | 171.1 | -65.4 | 85.6 | 0 | 0 | 0 | 110.8 | L259 C261 F265 V282 | L259-H263 PolarHBondContact N-O 3.41Å; C261-H263 VanDerWaalsContact C-N 3.25Å; C261-H263 PolarHBondContact O-CE1 3.25Å; C261-H263 PolarHBondContact O-N 3.02Å; C261-H263 PolarHBondContact O-ND1 3.38Å; C261-H263 PolarHBondContact SG-ND1 3.13Å; H263-F265 HydrophobicContact CB-CE2 3.53Å; H263-F265 HydrophobicContact CB-CZ 3.84Å; H263-V282 VanDerWaalsContact NE2-CG1 3.29Å; H263-V282 WeakPolarHBondContact NE2-CG1 3.36Å | ||
| 264 | F | 81.1 | Confident | 79.1 | Confident | 40 Ų | 40 | 42.5 Ų | 42.5 | 18% | 0.175 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 138.5 | -177.6 | -59.2 | -85.9 | 0 | 0 | 0 | 111 | M241 F250 V256 Q258 | M241-F264 HydrophobicContact CE-CD2 3.94Å; F250-F264 HydrophobicContact CE2-CB 4.19Å; F250-F264 HydrophobicContact CZ-CB 4.26Å; V256-F264 HydrophobicContact CG2-CD1 4.26Å; Q258-F264 HydrophobicContact CB-CD1 4.05Å; Q258-F264 HydrophobicContact CB-CE1 3.91Å; Q258-F264 HydrophobicContact CG-CD1 4.18Å; Q258-F264 HydrophobicContact CG-CE1 3.73Å; Q258-F264 HydrophobicContact CG-CZ 4.17Å |
| 265 | F | 82 | Confident | 79.3 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 153.5 | 177.6 | -53.6 | -89.8 | 0 | 0 | 0 | 110.6 | P244 V245 V256 R257 L259 H263 I270 P281 V282 | P244-F265 HydrophobicContact CB-CE1 4.33Å; P244-F265 HydrophobicContact CG-CD1 4.49Å; P244-F265 HydrophobicContact CG-CE1 3.98Å; V245-F265 HydrophobicContact CG2-CD1 3.95Å; V245-F265 HydrophobicContact CG2-CE1 4.27Å; V256-F265 CarbonylContact C-O 3.56Å; V256-F265 VanDerWaalsContact CA-O 3.27Å; V256-F265 WeakPolarHBondContact CA-O 3.34Å; V256-F265 WeakPolarHBondContact CB-O 3.42Å; R257-F265 PolarHBondContact N-O 3.42Å; R257-F265 PolarHBondContact O-N 2.96Å; L259-F265 HydrophobicContact CD1-CD2 3.61Å; L259-F265 HydrophobicContact CD1-CE2 3.78Å; L259-F265 HydrophobicContact CD2-CE2 4.16Å; L259-F265 HydrophobicContact CG-CE2 4.5Å; H263-F265 HydrophobicContact CB-CE2 3.53Å; H263-F265 HydrophobicContact CB-CZ 3.84Å; F265-I270 HydrophobicContact CB-CB 3.7Å; F265-I270 HydrophobicContact CB-CD1 4.41Å; F265-I270 HydrophobicContact CB-CG1 4.11Å; F265-I270 HydrophobicContact CB-CG2 4.17Å; F265-I270 HydrophobicContact CD1-CD1 4.28Å; F265-I270 HydrophobicContact CD2-CB 4.49Å; F265-I270 HydrophobicContact CD2-CD1 3.84Å; F265-I270 HydrophobicContact CD2-CG1 3.95Å; F265-I270 HydrophobicContact CE2-CD1 4.13Å; F265-I270 HydrophobicContact CG-CB 4.18Å; F265-I270 HydrophobicContact CG-CD1 3.92Å; F265-I270 HydrophobicContact CG-CG1 4.08Å; F265-I270 HydrophobicContact CZ-CD1 4.48Å; F265-P281 HydrophobicContact CE1-CG 3.6Å; F265-P281 HydrophobicContact CZ-CG 3.6Å; F265-V282 HydrophobicContact CE1-CG2 4.15Å; F265-V282 HydrophobicContact CZ-CG2 3.91Å |
| 266 | H | 83.3 | Confident | 79.2 | Confident | 11 Ų | 11 | 46.4 Ų | 46.4 | 5% | 0.051 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 143.5 | 167.7 | -59.7 | 120.6 | 0 | 0 | 0 | 110.7 | C243 C246 F250 E254 D268 C269 I270 | C243-H266 WeakPolarHBondContact CB-CE1 3.21Å; C243-H266 VanDerWaalsContact CB-ND1 3.32Å; C243-H266 WeakPolarHBondContact CB-ND1 3.28Å; C246-H266 PolarHBondContact SG-CE1 2.91Å; C246-H266 PolarHBondContact SG-ND1 3.04Å; F250-H266 AromaticContact CD1-CD2 3.57Å; F250-H266 AromaticContact CD1-CE1 3.87Å; F250-H266 AromaticContact CD1-NE2 3.12Å; F250-H266 WeakPolarHBondContact CD1-NE2 3.29Å; F250-H266 AromaticContact CE1-CD2 3.54Å; F250-H266 AromaticContact CE1-CE1 3.76Å; F250-H266 AromaticContact CE1-CG 3.97Å; F250-H266 AromaticContact CE1-NE2 3.35Å; F250-H266 WeakPolarHBondContact CE1-NE2 3.46Å; E254-H266 IonicContact OE1-CD2 3.85Å; E254-H266 PolarHBondContact OE1-CD2 2.97Å; E254-H266 IonicContact OE1-NE2 3.55Å; E254-H266 IonicContact OE2-CD2 3.64Å; E254-H266 IonicContact OE2-NE2 3.16Å; H266-D268 PolarHBondContact O-N 2.91Å; H266-C269 HydrophobicContact CB-CB 4.08Å; H266-C269 PolarHBondContact O-N 3.47Å; H266-I270 WeakPolarHBondContact O-CG2 3.35Å; H266-I270 PolarHBondContact O-N 3.26Å |
| 267 | S | 78.3 | Confident | 79.1 | Confident | 20 Ų | 20 | 50.7 Ų | 50.7 | 14% | 0.14 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -52.1 | -43.3 | 176.8 | 53.9 | 0 | 0 | 0 | 0 | 112.6 | P255 V271 | P255-S267 PolarHBondContact O-N 3.3Å; S267-V271 WeakPolarHBondContact O-CB 3.07Å; S267-V271 WeakPolarHBondContact O-CG2 3.47Å; S267-V271 PolarHBondContact O-N 3.09Å |
| 268 | D | 79.6 | Confident | 79.2 | Confident | 134 Ų | 134 | 52 Ų | 52 | 72% | 0.717 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -77.9 | -24.9 | -173.8 | -57.8 | -20.8 | 0 | 0 | 0 | 112.6 | H266 P272 | H266-D268 PolarHBondContact O-N 2.91Å; D268-P272 WeakPolarHBondContact O-CD 3.36Å; D268-P272 WeakPolarHBondContact O-CG 3.34Å |
| 269 | C | 81.6 | Confident | 79.2 | Confident | 28 Ų | 28 | 51.2 Ų | 51.2 | 19% | 0.189 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -78.7 | -38.8 | 177.5 | -70.4 | 0 | 0 | 0 | 0 | 112.6 | V245 H266 | V245-C269 HydrophobicContact CB-CB 3.95Å; V245-C269 HydrophobicContact CG1-CB 3.9Å; H266-C269 HydrophobicContact CB-CB 4.08Å; H266-C269 PolarHBondContact O-N 3.47Å |
| 270 | I | 82.9 | Confident | 79.4 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -91.8 | -24.9 | -172 | -162.6 | 58 | 0 | 0 | 0 | 113.6 | R257 L259 F265 H266 W273 L274 P281 | R257-I270 HydrophobicContact CB-CG2 3.98Å; R257-I270 HydrophobicContact CG-CG2 4.28Å; L259-I270 HydrophobicContact CD1-CG1 4.03Å; F265-I270 HydrophobicContact CB-CB 3.7Å; F265-I270 HydrophobicContact CB-CD1 4.41Å; F265-I270 HydrophobicContact CB-CG1 4.11Å; F265-I270 HydrophobicContact CB-CG2 4.17Å; F265-I270 HydrophobicContact CD1-CD1 4.28Å; F265-I270 HydrophobicContact CD2-CB 4.49Å; F265-I270 HydrophobicContact CD2-CD1 3.84Å; F265-I270 HydrophobicContact CD2-CG1 3.95Å; F265-I270 HydrophobicContact CE2-CD1 4.13Å; F265-I270 HydrophobicContact CG-CB 4.18Å; F265-I270 HydrophobicContact CG-CD1 3.92Å; F265-I270 HydrophobicContact CG-CG1 4.08Å; F265-I270 HydrophobicContact CZ-CD1 4.48Å; H266-I270 WeakPolarHBondContact O-CG2 3.35Å; H266-I270 PolarHBondContact O-N 3.26Å; I270-W273 HydrophobicContact CD1-CB 4.32Å; I270-W273 HydrophobicContact CD1-CG 4.4Å; I270-W273 PolarHBondContact O-N 2.87Å; I270-L274 HydrophobicContact CD1-CG 4.35Å; I270-L274 HydrophobicContact CG1-CD1 3.87Å; I270-L274 HydrophobicContact CG1-CG 4.05Å; I270-L274 WeakPolarHBondContact O-CB 3.45Å; I270-L274 VanDerWaalsContact O-CG 3.29Å; I270-L274 WeakPolarHBondContact O-CG 3.33Å; I270-L274 PolarHBondContact O-N 3.47Å; I270-P281 HydrophobicContact CD1-CG 4.28Å |
| 271 | V | 80.9 | Confident | 79.7 | Confident | 39 Ų | 39 | 48.9 Ų | 48.9 | 24% | 0.236 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.9 | -50.9 | 178.5 | 165.1 | 0 | 0 | 0 | 0 | 112 | I224 S267 W273 L274 E275 | I224-V271 HydrophobicContact CG2-CG1 4.43Å; I224-V271 HydrophobicContact CG2-CG2 4.13Å; S267-V271 WeakPolarHBondContact O-CB 3.07Å; S267-V271 WeakPolarHBondContact O-CG2 3.47Å; S267-V271 PolarHBondContact O-N 3.09Å; V271-W273 VanDerWaalsContact C-N 3.27Å; V271-W273 PolarHBondContact O-N 3.37Å; V271-L274 PolarHBondContact O-N 3.44Å; V271-E275 WeakPolarHBondContact O-CG 3.43Å; V271-E275 PolarHBondContact O-N 2.77Å |
| 272 | P | 83.4 | Confident | 80 | Confident | 66 Ų | 66 | 51 Ų | 51 | 43% | 0.429 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.6 | -36.8 | 177.2 | -22.7 | 34.1 | 0 | 0 | 0 | 112.7 | D268 E275 M276 | D268-P272 WeakPolarHBondContact O-CD 3.36Å; D268-P272 WeakPolarHBondContact O-CG 3.34Å; P272-E275 PolarHBondContact O-N 3.28Å; P272-M276 VanDerWaalsContact O-CE 3.28Å; P272-M276 WeakPolarHBondContact O-CE 3.48Å |
| 273 | W | 83.1 | Confident | 80.1 | Confident | 54 Ų | 54 | 48.3 Ų | 48.3 | 21% | 0.205 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.7 | -48.5 | 175.2 | -177.7 | -87.8 | 0 | 0 | 0 | 111.5 | L70 I270 V271 E275 M276 H277 T279 P281 | L70-W273 HydrophobicContact CD2-CZ3 4.27Å; I270-W273 HydrophobicContact CD1-CB 4.32Å; I270-W273 HydrophobicContact CD1-CG 4.4Å; I270-W273 PolarHBondContact O-N 2.87Å; V271-W273 VanDerWaalsContact C-N 3.27Å; V271-W273 PolarHBondContact O-N 3.37Å; W273-E275 VanDerWaalsContact C-N 3.27Å; W273-E275 PolarHBondContact O-N 3.17Å; W273-M276 PolarHBondContact O-N 3.09Å; W273-H277 HydrophobicContact CZ2-CB 4.48Å; W273-H277 AromaticContact CZ2-CD2 3.98Å; W273-H277 PolarHBondContact O-N 2.91Å; W273-T279 PolarHBondContact NE1-O 3.42Å; W273-P281 HydrophobicContact CD2-CB 4.43Å; W273-P281 HydrophobicContact CH2-CB 4.48Å; W273-P281 HydrophobicContact CZ2-CB 3.9Å |
| 274 | L | 78.4 | Confident | 80.1 | Confident | 4 Ų | 4 | 55.9 Ų | 55.9 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -70.5 | -17.2 | -179.7 | -68.3 | 175.9 | 0 | 0 | 0 | 114.5 | I224 L227 I270 V271 M276 H277 L287 | I224-L274 HydrophobicContact CG2-CB 4.46Å; L227-L274 HydrophobicContact CD1-CD1 3.7Å; I270-L274 HydrophobicContact CD1-CG 4.35Å; I270-L274 HydrophobicContact CG1-CD1 3.87Å; I270-L274 HydrophobicContact CG1-CG 4.05Å; I270-L274 WeakPolarHBondContact O-CB 3.45Å; I270-L274 VanDerWaalsContact O-CG 3.29Å; I270-L274 WeakPolarHBondContact O-CG 3.33Å; I270-L274 PolarHBondContact O-N 3.47Å; V271-L274 PolarHBondContact O-N 3.44Å; L274-M276 VanDerWaalsContact C-N 3.32Å; L274-H277 WeakPolarHBondContact CA-O 2.98Å; L274-L287 HydrophobicContact CD1-CD1 3.88Å; L274-L287 HydrophobicContact CD2-CD1 3.58Å; L274-L287 HydrophobicContact CD2-CD2 4.34Å; L274-L287 HydrophobicContact CD2-CG 4Å; L274-L287 HydrophobicContact CG-CD1 4.27Å |
| 275 | E | 76.4 | Confident | 79.9 | Confident | 80 Ų | 80 | 58.1 Ų | 58.1 | 37% | 0.374 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -74 | -22.7 | 168.7 | -68 | -161.4 | 153.7 | 0 | 0 | 113 | K221 I224 V271 P272 W273 | K221-E275 IonicContact NZ-OE1 2.63Å; K221-E275 PolarHBondContact NZ-OE1 2.89Å; K221-E275 IonicContact NZ-OE2 3.03Å; K221-E275 PolarHBondContact NZ-OE2 3.43Å; I224-E275 HydrophobicContact CD1-CG 3.9Å; V271-E275 WeakPolarHBondContact O-CG 3.43Å; V271-E275 PolarHBondContact O-N 2.77Å; P272-E275 PolarHBondContact O-N 3.28Å; W273-E275 VanDerWaalsContact C-N 3.27Å; W273-E275 PolarHBondContact O-N 3.17Å |
| 276 | M | 71 | Confident | 79.6 | Confident | 131 Ų | 131 | 58.7 Ų | 58.7 | 65% | 0.645 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -104 | -35.2 | -179.7 | -63.7 | -176.9 | -76.1 | 0 | 0 | 112.9 | P272 W273 L274 | P272-M276 VanDerWaalsContact O-CE 3.28Å; P272-M276 WeakPolarHBondContact O-CE 3.48Å; W273-M276 PolarHBondContact O-N 3.09Å; L274-M276 VanDerWaalsContact C-N 3.32Å |
| 277 | H | 76.2 | Confident | 79 | Confident | 92 Ų | 92 | 60.1 Ų | 60.1 | 43% | 0.426 | 31% | 0.311 | S | S | . | . | trans | -140.8 | 116.4 | -174 | -59.6 | -45.4 | 0 | 0 | 0 | 110.3 | W273 L274 T279 | W273-H277 HydrophobicContact CZ2-CB 4.48Å; W273-H277 AromaticContact CZ2-CD2 3.98Å; W273-H277 PolarHBondContact O-N 2.91Å; L274-H277 WeakPolarHBondContact CA-O 2.98Å; H277-T279 PolarHBondContact O-N 3.16Å | ||
| 278 | D | 77.4 | Confident | 78.4 | Confident | 53 Ų | 53 | 64.8 Ų | 64.8 | 28% | 0.283 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -71.3 | 11 | 176.9 | 69.9 | -54.3 | 0 | 0 | 0 | 113.8 | S286 L287 | D278-S286 CarbonylContact O-C 3.58Å; D278-S286 WeakPolarHBondContact O-CA 3.27Å; D278-S286 WeakPolarHBondContact OD2-CB 3.47Å; D278-S286 PolarHBondContact OD2-OG 2.98Å; D278-L287 WeakPolarHBondContact O-CG 3.2Å; D278-L287 PolarHBondContact O-N 2.82Å |
| 279 | T | 82.1 | Confident | 77.2 | Confident | 39 Ų | 39 | 61.2 Ų | 61.2 | 24% | 0.239 | 33% | 0.329 | C | S | . | . | B | Isolated β-bridge | trans | -112.3 | 143.9 | -173.4 | 60 | 0 | 0 | 0 | 0 | 112.6 | W273 H277 M285 | W273-T279 PolarHBondContact NE1-O 3.42Å; H277-T279 PolarHBondContact O-N 3.16Å; T279-M285 WeakPolarHBondContact CA-O 3.46Å |
| 280 | C | 83.6 | Confident | 75.6 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 35% | 0.346 | C | S | . | . | trans | -64.9 | 129.6 | 175 | 177.3 | 0 | 0 | 0 | 0 | 111.3 | L259 V282 C283 R284 M285 | L259-C280 HydrophobicContact CD2-CB 3.69Å; C280-V282 PolarHBondContact O-N 3.34Å; C280-V282 PolarHBondContact SG-N 3.45Å; C280-C283 VanDerWaalsContact CB-SG 3.56Å; C280-R284 WeakPolarHBondContact O-CA 3.23Å; C280-R284 PolarHBondContact O-N 3.37Å; C280-M285 PolarHBondContact N-O 3.29Å | ||
| 281 | P | 81 | Confident | 73.7 | Confident | 43 Ų | 43 | 68.9 Ų | 68.9 | 28% | 0.279 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -22.8 | -179.6 | 25.7 | -34.1 | 0 | 0 | 0 | 113.6 | F265 I270 W273 | F265-P281 HydrophobicContact CE1-CG 3.6Å; F265-P281 HydrophobicContact CZ-CG 3.6Å; I270-P281 HydrophobicContact CD1-CG 4.28Å; W273-P281 HydrophobicContact CD2-CB 4.43Å; W273-P281 HydrophobicContact CH2-CB 4.48Å; W273-P281 HydrophobicContact CZ2-CB 3.9Å |
| 282 | V | 81.1 | Confident | 72.2 | Confident | 73 Ų | 73 | 72.2 Ų | 72.2 | 44% | 0.442 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -50.5 | -179.8 | -177 | 0 | 0 | 0 | 0 | 112 | P244 H263 F265 C280 | P244-V282 HydrophobicContact CB-CG2 4.29Å; P244-V282 HydrophobicContact CG-CG2 4.01Å; H263-V282 VanDerWaalsContact NE2-CG1 3.29Å; H263-V282 WeakPolarHBondContact NE2-CG1 3.36Å; F265-V282 HydrophobicContact CE1-CG2 4.15Å; F265-V282 HydrophobicContact CZ-CG2 3.91Å; C280-V282 PolarHBondContact O-N 3.34Å; C280-V282 PolarHBondContact SG-N 3.45Å |
| 283 | C | 78.4 | Confident | 70.7 | Confident | 54 Ų | 54 | 74.9 Ų | 74.9 | 37% | 0.365 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | -0.3 | -172.4 | 74.1 | 0 | 0 | 0 | 0 | 115.2 | C261 C280 M285 | C261-C283 WeakPolarHBondContact CB-SG 3.44Å; C280-C283 VanDerWaalsContact CB-SG 3.56Å; C283-M285 PolarHBondContact O-N 3.44Å |
| 284 | R | 81.2 | Confident | 68.8 | Low | 213 Ų | 213 | 75.5 Ų | 75.5 | 80% | 0.804 | 42% | 0.422 | S | S | * | . | trans | 56.7 | 12.9 | 179.1 | -54.7 | -177 | -177.6 | -175.9 | -0.9 | 116.3 | C280 | C280-R284 WeakPolarHBondContact O-CA 3.23Å; C280-R284 PolarHBondContact O-N 3.37Å | ||
| 285 | M | 75.2 | Confident | 67.1 | Low | 86 Ų | 86 | 84 Ų | 84 | 42% | 0.424 | 46% | 0.462 | S | S | . | . | trans | -76.6 | 134.5 | 175.6 | -170.8 | 62.3 | 71.6 | 0 | 0 | 110.2 | T279 C280 C283 D291 | T279-M285 WeakPolarHBondContact CA-O 3.46Å; C280-M285 PolarHBondContact N-O 3.29Å; C283-M285 PolarHBondContact O-N 3.44Å; M285-D291 HydrophobicContact SD-CB 4.33Å | ||
| 286 | S | 77.4 | Confident | 65.4 | Low | 12 Ų | 12 | 85.3 Ų | 85.3 | 8% | 0.084 | 48% | 0.477 | C | S | . | . | B | Isolated β-bridge | trans | -68.3 | 143.8 | 173.4 | -76.8 | 0 | 0 | 0 | 0 | 111.9 | D278 N288 G289 | D278-S286 CarbonylContact O-C 3.58Å; D278-S286 WeakPolarHBondContact O-CA 3.27Å; D278-S286 WeakPolarHBondContact OD2-CB 3.47Å; D278-S286 PolarHBondContact OD2-OG 2.98Å; S286-N288 PolarHBondContact O-N 3.24Å; S286-G289 PolarHBondContact O-N 3.24Å |
| 287 | L | 70.7 | Confident | 64.1 | Low | 42 Ų | 42 | 83.5 Ų | 83.5 | 22% | 0.22 | 48% | 0.483 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -24.5 | 178.4 | -68.8 | -172.3 | 0 | 0 | 0 | 113.8 | L227 L259 P260 L274 D278 G289 | L227-L287 HydrophobicContact CD1-CD1 4.23Å; L259-L287 HydrophobicContact CB-CD2 4.32Å; L259-L287 HydrophobicContact CD2-CD2 3.72Å; L259-L287 HydrophobicContact CG-CD2 3.7Å; P260-L287 HydrophobicContact CG-CD2 4.13Å; L274-L287 HydrophobicContact CD1-CD1 3.88Å; L274-L287 HydrophobicContact CD2-CD1 3.58Å; L274-L287 HydrophobicContact CD2-CD2 4.34Å; L274-L287 HydrophobicContact CD2-CG 4Å; L274-L287 HydrophobicContact CG-CD1 4.27Å; D278-L287 WeakPolarHBondContact O-CG 3.2Å; D278-L287 PolarHBondContact O-N 2.82Å; L287-G289 PolarHBondContact O-N 3.07Å |
| 288 | N | 64 | Low | 62.4 | Low | 118 Ų | 118 | 87.9 Ų | 87.9 | 63% | 0.631 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -12 | -177.5 | -72.8 | 24.7 | 0 | 0 | 0 | 113.8 | S286 E290 | S286-N288 PolarHBondContact O-N 3.24Å; N288-E290 HydrophobicContact CB-CG 3.93Å; N288-E290 WeakPolarHBondContact CB-OE1 3.45Å; N288-E290 PolarHBondContact ND2-OE1 3.03Å; N288-E290 VanDerWaalsContact ND2-OE1 3.14Å; N288-E290 PolarHBondContact O-N 2.9Å |
| 289 | G | 55.8 | Low | 60.6 | Low | 59 Ų | 59 | 90 Ų | 90 | 61% | 0.608 | 52% | 0.523 | S | S | * | . | S | Bend | trans | 72.1 | 4.5 | -174 | 0 | 0 | 0 | 0 | 0 | 114.1 | S286 L287 D291 | S286-G289 PolarHBondContact O-N 3.24Å; L287-G289 PolarHBondContact O-N 3.07Å; G289-D291 PolarHBondContact O-N 3.37Å |
| 290 | E | 46.7 | Very low | 58.7 | Low | 116 Ų | 116 | 94.2 Ų | 94.2 | 54% | 0.542 | 55% | 0.55 | S | S | . | * | trans | -76.4 | 109.3 | 163 | 63.5 | -168.9 | 99.3 | 0 | 0 | 108.8 | N288 S292 | N288-E290 HydrophobicContact CB-CG 3.93Å; N288-E290 WeakPolarHBondContact CB-OE1 3.45Å; N288-E290 PolarHBondContact ND2-OE1 3.03Å; N288-E290 VanDerWaalsContact ND2-OE1 3.14Å; N288-E290 PolarHBondContact O-N 2.9Å; E290-S292 PolarHBondContact O-N 3.17Å | ||
| 291 | D | 44.6 | Very low | 56.9 | Low | 72 Ų | 72 | 99 Ų | 99 | 39% | 0.385 | 58% | 0.584 | S | S | . | * | trans | -74.9 | 110.3 | 164.3 | 49.9 | -20.4 | 0 | 0 | 0 | 108.5 | M285 G289 S293 S294 | M285-D291 HydrophobicContact SD-CB 4.33Å; G289-D291 PolarHBondContact O-N 3.37Å; D291-S293 PolarHBondContact O-N 3.37Å; D291-S294 VanDerWaalsContact CG-CB 3.46Å; D291-S294 PolarHBondContact O-N 3.4Å; D291-S294 WeakPolarHBondContact OD1-CB 3.19Å; D291-S294 WeakPolarHBondContact OD2-CB 3.44Å; D291-S294 PolarHBondContact OD2-OG 3.36Å | ||
| 292 | S | 49.2 | Very low | 55.4 | Low | 110 Ų | 110 | 104.7 Ų | 104.7 | 77% | 0.769 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | 12.6 | 176.5 | -35.6 | 0 | 0 | 0 | 0 | 114.4 | E290 | E290-S292 PolarHBondContact O-N 3.17Š|
| 293 | S | 50.6 | Low | 53.4 | Low | 122 Ų | 122 | 106.6 Ų | 106.6 | 85% | 0.853 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.4 | -5.2 | 172.3 | -64.1 | 0 | 0 | 0 | 0 | 113.9 | D291 | D291-S293 PolarHBondContact O-N 3.37Š|
| 294 | S | 43.8 | Very low | 51.6 | Low | 66 Ų | 66 | 110.7 Ų | 110.7 | 46% | 0.462 | 65% | 0.651 | S | S | . | * | trans | -121.8 | 67.6 | 175 | -53.5 | 0 | 0 | 0 | 0 | 111.6 | D291 P296 | D291-S294 VanDerWaalsContact CG-CB 3.46Å; D291-S294 PolarHBondContact O-N 3.4Å; D291-S294 WeakPolarHBondContact OD1-CB 3.19Å; D291-S294 WeakPolarHBondContact OD2-CB 3.44Å; D291-S294 PolarHBondContact OD2-OG 3.36Å; S294-P296 WeakPolarHBondContact O-CD 3.21Å | ||
| 295 | Q | 42.6 | Very low | 50 | Low | 184 Ų | 184 | 106.3 Ų | 106.3 | 86% | 0.86 | 64% | 0.644 | S | S | * | * | trans | -76.2 | 106.4 | 146.1 | -66.3 | -146.8 | -50.7 | 0 | 0 | 107.8 | A297 | Q295-A297 PolarHBondContact O-N 3.07Å; Q295-A297 VanDerWaalsContact O-N 3.09Å | ||
| 296 | P | 41.7 | Very low | 48.6 | Very low | 107 Ų | 107 | 108.2 Ų | 108.2 | 70% | 0.695 | 66% | 0.662 | S | S | * | * | trans | -59.5 | 115.4 | 150.2 | 28.2 | -31.1 | 0 | 0 | 0 | 105.2 | S294 E298 | S294-P296 WeakPolarHBondContact O-CD 3.21Å; P296-E298 VanDerWaalsContact C-N 3.26Å; P296-E298 PolarHBondContact O-N 3.26Å | ||
| 297 | A | 42.8 | Very low | 47.4 | Very low | 93 Ų | 93 | 118.2 Ų | 118.2 | 77% | 0.769 | 70% | 0.698 | S | S | * | * | trans | -63.8 | 93.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | Q295 S299 | Q295-A297 PolarHBondContact O-N 3.07Å; Q295-A297 VanDerWaalsContact O-N 3.09Å; A297-S299 VanDerWaalsContact C-N 3.31Å; A297-S299 PolarHBondContact O-N 2.83Å | ||
| 298 | E | 39.6 | Very low | 46.4 | Very low | 183 Ų | 183 | 122.4 Ų | 122.4 | 86% | 0.855 | 73% | 0.726 | S | S | * | * | trans | -60.4 | 99.5 | 168.7 | -74.5 | -165.4 | 88.8 | 0 | 0 | 107.1 | P296 P300 | P296-E298 VanDerWaalsContact C-N 3.26Å; P296-E298 PolarHBondContact O-N 3.26Å; E298-P300 WeakPolarHBondContact O-CD 3.25Å | ||
| 299 | S | 40.1 | Very low | 45.5 | Very low | 99 Ų | 99 | 125.9 Ų | 125.9 | 69% | 0.692 | 74% | 0.738 | S | S | * | * | trans | -63.6 | 118.4 | -175.1 | 45.9 | 0 | 0 | 0 | 0 | 109.3 | A297 S301 | A297-S299 VanDerWaalsContact C-N 3.31Å; A297-S299 PolarHBondContact O-N 2.83Å; S299-S301 PolarHBondContact O-N 2.95Å | ||
| 300 | P | 42.1 | Very low | 45.1 | Very low | 126 Ų | 126 | 132.3 Ų | 132.3 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | -68.2 | 93.4 | 161.3 | 29.5 | -31.2 | 0 | 0 | 0 | 106.3 | E298 L302 | E298-P300 WeakPolarHBondContact O-CD 3.25Å; P300-L302 PolarHBondContact O-N 3.48Å; P300-L302 VanDerWaalsContact O-N 3.17Å | ||
| 301 | S | 47.2 | Very low | 45.1 | Very low | 102 Ų | 102 | 137 Ų | 137 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | trans | -52.6 | 121.2 | 167.3 | 54.4 | 0 | 0 | 0 | 0 | 109.2 | S299 | S299-S301 PolarHBondContact O-N 2.95Š| ||
| 302 | L | 47.6 | Very low | 44.7 | Very low | 162 Ų | 162 | 145.1 Ų | 145.1 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | trans | 179.2 | 143 | 140 | -95.2 | 159.6 | 0 | 0 | 0 | 111.9 | P300 | P300-L302 PolarHBondContact O-N 3.48Å; P300-L302 VanDerWaalsContact O-N 3.17Å | ||
| 303 | S | 40.3 | Very low | 44.5 | Very low | 112 Ų | 112 | 145.4 Ų | 145.4 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | trans | 61.2 | 90.2 | 169.1 | 38.5 | 0 | 0 | 0 | 0 | 118.7 | D305 | S303-D305 PolarHBondContact O-N 3.39Š| ||
| 304 | T | 40.6 | Very low | 44.3 | Very low | 140 Ų | 140 | 153.4 Ų | 153.4 | 86% | 0.859 | 81% | 0.812 | S | S | * | * | trans | -60.7 | 115.1 | 151.2 | -53.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 305 | D | 47.2 | Very low | 44.3 | Very low | 122 Ų | 122 | 157.8 Ų | 157.8 | 65% | 0.652 | 83% | 0.83 | S | S | * | * | trans | -102 | 117.6 | 162.9 | -167.6 | -48.3 | 0 | 0 | 0 | 109.1 | S303 R307 | S303-D305 PolarHBondContact O-N 3.39Å; D305-R307 VanDerWaalsContact C-N 3.26Å; D305-R307 PolarHBondContact O-N 3.12Å; D305-R307 VanDerWaalsContact O-N 3.12Å; D305-R307 WeakPolarHBondContact OD1-CB 3.36Å; D305-R307 PolarHBondContact OD1-N 3.02Å | ||
| 306 | P | 45.8 | Very low | 44.4 | Very low | 125 Ų | 125 | 156.4 Ų | 156.4 | 81% | 0.812 | 83% | 0.828 | S | S | * | * | trans | -83.8 | 26.6 | -168.2 | 34.9 | -37.8 | 0 | 0 | 0 | 114.8 | ||||
| 307 | R | 52.5 | Low | 44.5 | Very low | 223 Ų | 223 | 159.1 Ų | 159.1 | 84% | 0.842 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -116 | 11.2 | -162.5 | -142 | 179.1 | 179.4 | 152.8 | 3.1 | 118.9 | D305 | D305-R307 VanDerWaalsContact C-N 3.26Å; D305-R307 PolarHBondContact O-N 3.12Å; D305-R307 VanDerWaalsContact O-N 3.12Å; D305-R307 WeakPolarHBondContact OD1-CB 3.36Å; D305-R307 PolarHBondContact OD1-N 3.02Å |
| 308 | T | 49.7 | Very low | 44.6 | Very low | 129 Ų | 129 | 163 Ų | 163 | 79% | 0.791 | 84% | 0.84 | S | S | * | * | trans | -127 | -0.6 | -176.3 | 48.8 | 0 | 0 | 0 | 0 | 116.7 | E310 | T308-E310 PolarHBondContact O-N 3.14Š| ||
| 309 | Q | 45.5 | Very low | 44.9 | Very low | 192 Ų | 192 | 161.8 Ų | 161.8 | 90% | 0.897 | 84% | 0.839 | S | S | * | * | trans | -83.4 | 39.1 | -177.6 | -155.2 | 173.9 | 13.7 | 0 | 0 | 114.6 | ||||
| 310 | E | 46.6 | Very low | 45.3 | Very low | 194 Ų | 194 | 165.9 Ų | 165.9 | 91% | 0.907 | 85% | 0.848 | S | S | * | * | trans | -126.7 | 28.5 | -179.7 | -72.8 | -84.2 | 121.2 | 0 | 0 | 111.4 | T308 | T308-E310 PolarHBondContact O-N 3.14Š| ||
| 311 | R | 46.4 | Very low | 45.5 | Very low | 214 Ų | 214 | 168.8 Ų | 168.8 | 81% | 0.808 | 85% | 0.851 | S | S | * | * | trans | -147.9 | 71.8 | -178.2 | -165 | 172.5 | -175.9 | -115.2 | 2.5 | 113 | ||||
| 312 | W | 37.2 | Very low | 45.4 | Very low | 243 Ų | 243 | 173.9 Ų | 173.9 | 92% | 0.92 | 86% | 0.861 | S | S | * | * | trans | -174.9 | 91.6 | 135.4 | -84.8 | -9.2 | 0 | 0 | 0 | 109.9 | ||||
| 313 | S | 43.8 | Very low | 45.2 | Very low | 115 Ų | 115 | 174.9 Ų | 174.9 | 80% | 0.804 | 86% | 0.862 | S | S | * | * | trans | -125.8 | 106.5 | 160.6 | -64.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 314 | F | 46.8 | Very low | 45.6 | Very low | 290 Ų | 290 | 180.6 Ų | 180.6 | 100% | 1.272 | 87% | 0.869 | S | S | * | * | trans | -157.3 | 0 | 159 | -97.7 | -68.2 | 0 | 0 | 0 | 108.4 |
Retrieved 314 of 314 residues in 1207.4 ms
(Link to these results)