| 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 | 27.4 | Very low | 34.5 | Very low | 217 Ų | 217 | 65.7 Ų | 65.7 | 100% | 1.069 | 34% | 0.342 | S | S | * | . | 0 | 46.3 | 0 | -169.4 | 168.2 | 163.5 | 0 | 0 | 110 | |||||
| 2 | M | 29.5 | Very low | 34.7 | Very low | 121 Ų | 121 | 66.7 Ų | 66.7 | 60% | 0.596 | 35% | 0.346 | S | S | * | . | trans | -126.2 | 1.5 | -169.8 | -65.2 | -160.4 | -63 | 0 | 0 | 115.1 | K4 | M2-K4 PolarHBondContact O-N 2.75Š| ||
| 3 | G | 30.5 | Very low | 34.7 | Very low | 31 Ų | 31 | 67.2 Ų | 67.2 | 32% | 0.32 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -79.2 | 11 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 4 | K | 34.6 | Very low | 34.7 | Very low | 82 Ų | 82 | 71.3 Ų | 71.3 | 36% | 0.357 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -87.8 | -39.3 | -178.8 | -68.4 | -173.5 | -177.2 | 177.1 | 0 | 111.9 | M2 L8 | M2-K4 PolarHBondContact O-N 2.75Å; K4-L8 WeakPolarHBondContact O-CG 3.48Å; K4-L8 PolarHBondContact O-N 3.42Å; K4-L8 VanDerWaalsContact O-N 3.15Å |
| 5 | D | 34.5 | Very low | 34.6 | Very low | 108 Ų | 108 | 75.7 Ų | 75.7 | 58% | 0.578 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -78.6 | -28.5 | -171.2 | -49.4 | -47.8 | 0 | 0 | 0 | 111.7 | L8 A9 | D5-L8 WeakPolarHBondContact O-CB 3.31Å; D5-A9 PolarHBondContact O-N 3.11Å |
| 6 | Y | 36.6 | Very low | 34.2 | Very low | 40 Ų | 40 | 79.7 Ų | 79.7 | 16% | 0.157 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -76.5 | -38.8 | 174.9 | -58.2 | -59.5 | 0 | 0 | 0 | 114 | L8 A9 I10 A292 T347 Q367 | Y6-L8 VanDerWaalsContact C-N 3.26Å; Y6-L8 PolarHBondContact O-N 3.01Å; Y6-A9 WeakPolarHBondContact O-CB 3.29Å; Y6-A9 PolarHBondContact O-N 3.26Å; Y6-A9 VanDerWaalsContact O-N 3.09Å; Y6-I10 WeakPolarHBondContact O-CG1 3.41Å; Y6-I10 PolarHBondContact O-N 2.94Å; Y6-A292 HydrophobicContact CD1-CB 4.14Å; Y6-A292 HydrophobicContact CE1-CB 3.77Å; Y6-T347 HydrophobicContact CD1-CG2 4.03Å; Y6-T347 HydrophobicContact CD2-CG2 4.03Å; Y6-T347 HydrophobicContact CG-CG2 3.77Å; Y6-Q367 PolarHBondContact OH-NE2 3.19Å; Y6-Q367 PolarHBondContact OH-OE1 3Å |
| 7 | M | 37.5 | Very low | 34.1 | Very low | 7 Ų | 7 | 82.1 Ų | 82.1 | 3% | 0.034 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -63.8 | -37.2 | 169.8 | -78.3 | -162.1 | -63.6 | 0 | 0 | 110.8 | A9 I11 Q394 Y395 | M7-A9 VanDerWaalsContact C-N 3.35Å; M7-I11 WeakPolarHBondContact O-CB 3.47Å; M7-I11 WeakPolarHBondContact O-CD1 3.32Å; M7-I11 WeakPolarHBondContact O-CG1 3.24Å; M7-I11 PolarHBondContact O-N 3.29Å; M7-Q394 HydrophobicContact SD-CB 3.8Å; M7-Y395 HydrophobicContact CB-CD2 4.39Å; M7-Y395 HydrophobicContact CE-CD2 4.5Å |
| 8 | L | 36.5 | Very low | 33.9 | Very low | 56 Ų | 56 | 85.3 Ų | 85.3 | 29% | 0.293 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 169.1 | -81.3 | 167.5 | 0 | 0 | 0 | 111.4 | K4 D5 Y6 I11 I12 Y395 | K4-L8 WeakPolarHBondContact O-CG 3.48Å; K4-L8 PolarHBondContact O-N 3.42Å; K4-L8 VanDerWaalsContact O-N 3.15Å; D5-L8 WeakPolarHBondContact O-CB 3.31Å; Y6-L8 VanDerWaalsContact C-N 3.26Å; Y6-L8 PolarHBondContact O-N 3.01Å; L8-I11 CarbonylContact O-C 3.59Å; L8-I11 PolarHBondContact O-N 3.3Å; L8-I12 HydrophobicContact CB-CD1 4.04Å; L8-I12 HydrophobicContact CD2-CD1 4.44Å; L8-I12 WeakPolarHBondContact O-CB 3.35Å; L8-I12 WeakPolarHBondContact O-CD1 3.27Å; L8-I12 WeakPolarHBondContact O-CG1 3.41Å; L8-I12 PolarHBondContact O-N 3.25Å; L8-Y395 HydrophobicContact CD2-CE2 3.88Å; L8-Y395 HydrophobicContact CG-CE2 4.01Å |
| 9 | A | 32.6 | Very low | 33.6 | Very low | 14 Ų | 14 | 89.2 Ų | 89.2 | 12% | 0.116 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -65.4 | -42.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | D5 Y6 M7 I11 I12 V13 M293 | D5-A9 PolarHBondContact O-N 3.11Å; Y6-A9 WeakPolarHBondContact O-CB 3.29Å; Y6-A9 PolarHBondContact O-N 3.26Å; Y6-A9 VanDerWaalsContact O-N 3.09Å; M7-A9 VanDerWaalsContact C-N 3.35Å; A9-I11 PolarHBondContact O-N 3.45Å; A9-I12 PolarHBondContact O-N 3.03Å; A9-V13 VanDerWaalsContact O-CG2 3.3Å; A9-V13 WeakPolarHBondContact O-CG2 3.44Å; A9-V13 PolarHBondContact O-N 2.98Å; A9-M293 HydrophobicContact CB-CE 3.9Å; A9-M293 HydrophobicContact CB-SD 3.82Å |
| 10 | I | 40.3 | Very low | 33.5 | Very low | 17 Ų | 17 | 95.7 Ų | 95.7 | 9% | 0.087 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -59.7 | -37 | 173.8 | -67.9 | 167.7 | 0 | 0 | 0 | 110.9 | Y6 L346 T347 L349 | Y6-I10 WeakPolarHBondContact O-CG1 3.41Å; Y6-I10 PolarHBondContact O-N 2.94Å; I10-L346 HydrophobicContact CD1-CB 4.03Å; I10-L346 WeakPolarHBondContact CD1-O 3.43Å; I10-T347 WeakPolarHBondContact CG1-O 3.24Å; I10-L349 HydrophobicContact CG2-CD2 3.96Å |
| 11 | I | 39.1 | Very low | 33.4 | Very low | 30 Ų | 30 | 97.6 Ų | 97.6 | 15% | 0.154 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -73.3 | -55.1 | 175.9 | -68.6 | 166.4 | 0 | 0 | 0 | 109.7 | M7 L8 A9 V13 N14 Y15 Y395 | M7-I11 WeakPolarHBondContact O-CB 3.47Å; M7-I11 WeakPolarHBondContact O-CD1 3.32Å; M7-I11 WeakPolarHBondContact O-CG1 3.24Å; M7-I11 PolarHBondContact O-N 3.29Å; L8-I11 CarbonylContact O-C 3.59Å; L8-I11 PolarHBondContact O-N 3.3Å; A9-I11 PolarHBondContact O-N 3.45Å; I11-V13 PolarHBondContact O-N 2.88Å; I11-N14 CarbonylContact O-C 3.52Å; I11-N14 VanDerWaalsContact O-C 3.23Å; I11-N14 WeakPolarHBondContact O-CA 3.35Å; I11-N14 PolarHBondContact O-N 3.07Å; I11-Y15 HydrophobicContact CG2-CG 4.1Å; I11-Y15 WeakPolarHBondContact O-CA 3.38Å; I11-Y15 WeakPolarHBondContact O-CB 3.42Å; I11-Y15 PolarHBondContact O-N 3.31Å; I11-Y395 HydrophobicContact CD1-CD1 3.52Å; I11-Y395 HydrophobicContact CD1-CD2 4.13Å; I11-Y395 HydrophobicContact CD1-CE1 4.05Å; I11-Y395 HydrophobicContact CD1-CG 3.56Å |
| 12 | I | 37.3 | Very low | 33.8 | Very low | 77 Ų | 77 | 94.6 Ų | 94.6 | 40% | 0.395 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.3 | -36.2 | -173.1 | -70.6 | 162.9 | 0 | 0 | 0 | 113.1 | L8 A9 N14 Y15 | L8-I12 HydrophobicContact CB-CD1 4.04Å; L8-I12 HydrophobicContact CD2-CD1 4.44Å; L8-I12 WeakPolarHBondContact O-CB 3.35Å; L8-I12 WeakPolarHBondContact O-CD1 3.27Å; L8-I12 WeakPolarHBondContact O-CG1 3.41Å; L8-I12 PolarHBondContact O-N 3.25Å; A9-I12 PolarHBondContact O-N 3.03Å; I12-N14 PolarHBondContact O-N 3.32Å; I12-Y15 CarbonylContact O-C 3.57Å; I12-Y15 PolarHBondContact O-N 2.85Å |
| 13 | V | 34.7 | Very low | 34 | Very low | 74 Ų | 74 | 96.8 Ų | 96.8 | 45% | 0.448 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -11.2 | 175.5 | 179 | 0 | 0 | 0 | 0 | 112.5 | A9 I11 M293 F348 | A9-V13 VanDerWaalsContact O-CG2 3.3Å; A9-V13 WeakPolarHBondContact O-CG2 3.44Å; A9-V13 PolarHBondContact O-N 2.98Å; I11-V13 PolarHBondContact O-N 2.88Å; V13-M293 HydrophobicContact CG2-CE 3.49Å; V13-M293 VanDerWaalsContact CG2-CE 3.49Å; V13-F348 HydrophobicContact CB-CE2 4.33Å; V13-F348 HydrophobicContact CG1-CE2 3.98Å; V13-F348 HydrophobicContact CG1-CZ 4.41Å; V13-F348 HydrophobicContact CG2-CE2 4.32Å |
| 14 | N | 34.7 | Very low | 33.9 | Very low | 124 Ų | 124 | 102.2 Ų | 102.2 | 66% | 0.663 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.4 | 17.1 | 169.7 | -97.1 | -29.6 | 0 | 0 | 0 | 113.2 | I11 I12 | I11-N14 CarbonylContact O-C 3.52Å; I11-N14 VanDerWaalsContact O-C 3.23Å; I11-N14 WeakPolarHBondContact O-CA 3.35Å; I11-N14 PolarHBondContact O-N 3.07Å; I12-N14 PolarHBondContact O-N 3.32Å |
| 15 | Y | 33 | Very low | 34 | Very low | 138 Ų | 138 | 106.3 Ų | 106.3 | 54% | 0.541 | 54% | 0.54 | S | S | . | . | trans | -163.7 | 60.4 | -168.7 | -142 | -78.3 | 0 | 0 | 0 | 112.3 | I11 I12 | I11-Y15 HydrophobicContact CG2-CG 4.1Å; I11-Y15 WeakPolarHBondContact O-CA 3.38Å; I11-Y15 WeakPolarHBondContact O-CB 3.42Å; I11-Y15 PolarHBondContact O-N 3.31Å; I12-Y15 CarbonylContact O-C 3.57Å; I12-Y15 PolarHBondContact O-N 2.85Å | ||
| 16 | D | 28.7 | Very low | 34.1 | Very low | 139 Ų | 139 | 107.8 Ų | 107.8 | 74% | 0.743 | 55% | 0.547 | S | S | * | . | trans | -68.2 | 141.5 | 153.5 | -93 | -40.6 | 0 | 0 | 0 | 109.1 | ||||
| 17 | D | 32.8 | Very low | 34.4 | Very low | 120 Ų | 120 | 113.7 Ų | 113.7 | 64% | 0.642 | 58% | 0.58 | S | S | * | * | trans | 80.9 | 93.8 | -176.1 | -68.9 | -16.8 | 0 | 0 | 0 | 118.9 | ||||
| 18 | N | 30.3 | Very low | 34.9 | Very low | 140 Ų | 140 | 116.2 Ų | 116.2 | 75% | 0.749 | 59% | 0.594 | S | S | * | * | -174.6 | 106.5 | 120.1 | -102 | -70.8 | 0 | 0 | 0 | 111.6 | |||||
| 19 | I | 27.5 | Very low | 35.6 | Very low | 160 Ų | 160 | 119.1 Ų | 119.1 | 82% | 0.821 | 62% | 0.616 | S | S | * | * | trans | -125.5 | 101 | 170.9 | -56.4 | -178.9 | 0 | 0 | 0 | 110.8 | ||||
| 20 | W | 31.5 | Very low | 36.7 | Very low | 219 Ų | 219 | 124.8 Ų | 124.8 | 83% | 0.83 | 65% | 0.645 | S | S | * | * | trans | 19.2 | 116.5 | 147.7 | -55.8 | 85.5 | 0 | 0 | 0 | 119.2 | ||||
| 21 | T | 32.8 | Very low | 37.8 | Very low | 136 Ų | 136 | 125.4 Ų | 125.4 | 83% | 0.834 | 65% | 0.648 | S | S | * | * | -166.1 | 132 | 113.3 | 7.3 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 22 | D | 35.3 | Very low | 39 | Very low | 153 Ų | 153 | 124.8 Ų | 124.8 | 82% | 0.818 | 65% | 0.646 | S | S | * | * | trans | -64.5 | 144.6 | 158.8 | -82.2 | -65.3 | 0 | 0 | 0 | 111.6 | ||||
| 23 | Q | 32.4 | Very low | 39.9 | Very low | 167 Ų | 167 | 127 Ų | 127 | 78% | 0.78 | 67% | 0.668 | S | S | * | * | trans | -156 | 132.8 | 150.6 | -122.1 | 168.2 | 100.8 | 0 | 0 | 113.9 | ||||
| 24 | N | 29.7 | Very low | 41.2 | Very low | 146 Ų | 146 | 124.6 Ų | 124.6 | 78% | 0.781 | 66% | 0.659 | S | S | * | * | trans | 102.2 | 76.9 | 166.3 | -55.9 | -48.2 | 0 | 0 | 0 | 118.6 | ||||
| 25 | L | 35.3 | Very low | 42.6 | Very low | 168 Ų | 168 | 121 Ų | 121 | 88% | 0.88 | 64% | 0.636 | S | S | * | * | trans | -78.5 | 111.3 | 159.7 | -79.5 | 160.4 | 0 | 0 | 0 | 111.5 | ||||
| 26 | L | 37.4 | Very low | 44.1 | Very low | 139 Ų | 139 | 121.2 Ų | 121.2 | 73% | 0.728 | 64% | 0.636 | S | S | * | * | trans | -136 | 105.4 | 157.8 | -92.4 | 167.2 | 0 | 0 | 0 | 108.5 | D28 | L26-D28 PolarHBondContact O-N 3.19Š| ||
| 27 | L | 43.5 | Very low | 45.9 | Very low | 163 Ų | 163 | 115.7 Ų | 115.7 | 85% | 0.853 | 61% | 0.607 | S | S | * | * | trans | -78.9 | 116.9 | 177.4 | -73.9 | 162.8 | 0 | 0 | 0 | 109.7 | ||||
| 28 | D | 46.8 | Very low | 47.5 | Very low | 60 Ų | 60 | 112.5 Ų | 112.5 | 32% | 0.321 | 59% | 0.589 | S | S | . | * | trans | -88.1 | 116.6 | 174.6 | -145.1 | -31.4 | 0 | 0 | 0 | 109 | L26 D30 L31 T37 | L26-D28 PolarHBondContact O-N 3.19Å; D28-D30 VanDerWaalsContact C-N 3.29Å; D28-D30 PolarHBondContact O-N 3.25Å; D28-L31 HydrophobicContact CB-CD1 4.09Å; D28-L31 HydrophobicContact CB-CG 4.35Å; D28-T37 WeakPolarHBondContact CB-OG1 3.46Å | ||
| 29 | P | 51 | Low | 48.6 | Very low | 117 Ų | 117 | 111.8 Ų | 111.8 | 76% | 0.76 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -11.6 | -167.2 | 28.4 | -35.3 | 0 | 0 | 0 | 115.3 | ||
| 30 | D | 56.5 | Low | 50.1 | Low | 133 Ų | 133 | 107.6 Ų | 107.6 | 71% | 0.711 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | 6.4 | -177 | -72.3 | -22.3 | 0 | 0 | 0 | 114 | D28 | D28-D30 VanDerWaalsContact C-N 3.29Å; D28-D30 PolarHBondContact O-N 3.25Å |
| 31 | L | 62.9 | Low | 51 | Low | 30 Ų | 30 | 103.3 Ų | 103.3 | 16% | 0.157 | 56% | 0.562 | C | S | . | * | S | Bend | trans | -81 | 140.1 | -179.8 | -77.8 | 174.1 | 0 | 0 | 0 | 113.5 | D28 W35 T37 Y46 P59 | D28-L31 HydrophobicContact CB-CD1 4.09Å; D28-L31 HydrophobicContact CB-CG 4.35Å; L31-W35 HydrophobicContact CB-CB 4.19Å; L31-W35 HydrophobicContact CD1-CB 4.36Å; L31-W35 HydrophobicContact CD2-CB 3.96Å; L31-W35 HydrophobicContact CG-CB 4.42Å; L31-T37 WeakPolarHBondContact CD1-OG1 3.37Å; L31-Y46 HydrophobicContact CD1-CD1 4.43Å; L31-Y46 HydrophobicContact CD2-CD1 3.69Å; L31-Y46 HydrophobicContact CD2-CE1 4.16Å; L31-P59 HydrophobicContact CD2-CG 4.08Å |
| 32 | P | 64.6 | Low | 51.6 | Low | 18 Ų | 18 | 101.7 Ų | 101.7 | 12% | 0.117 | 55% | 0.552 | C | S | . | * | P | Polyproline II helix | trans | -62.8 | 153 | 169.6 | -13.6 | 26.8 | 0 | 0 | 0 | 111.4 | G34 W35 P59 L61 | P32-G34 PolarHBondContact O-N 3.43Å; P32-W35 WeakPolarHBondContact O-CB 3.39Å; P32-W35 PolarHBondContact O-N 3.46Å; P32-P59 HydrophobicContact CG-CB 3.93Å; P32-L61 HydrophobicContact CB-CD2 3.96Å; P32-L61 HydrophobicContact CB-CG 4.27Å; P32-L61 HydrophobicContact CG-CD2 4.3Å; P32-L61 HydrophobicContact CG-CG 4.19Å |
| 33 | S | 56.7 | Low | 52.2 | Low | 122 Ų | 122 | 95.7 Ų | 95.7 | 85% | 0.853 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 135.4 | 178 | -169 | 0 | 0 | 0 | 0 | 111.6 | ||
| 34 | G | 61.5 | Low | 53.7 | Low | 24 Ų | 24 | 90.2 Ų | 90.2 | 25% | 0.247 | 51% | 0.505 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.2 | -15.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | P32 H48 V49 P50 | P32-G34 PolarHBondContact O-N 3.43Å; G34-H48 VanDerWaalsContact C-CD2 3.5Å; G34-H48 CarbonylContact O-C 3.49Å; G34-V49 PolarHBondContact O-N 3.33Å; G34-P50 WeakPolarHBondContact O-CD 3.27Å |
| 35 | W | 64.9 | Low | 55 | Low | 50 Ų | 50 | 86.2 Ų | 86.2 | 19% | 0.189 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 147.7 | 177.8 | -66.9 | 84.8 | 0 | 0 | 0 | 113.1 | L31 P32 W47 H48 Q55 P59 | L31-W35 HydrophobicContact CB-CB 4.19Å; L31-W35 HydrophobicContact CD1-CB 4.36Å; L31-W35 HydrophobicContact CD2-CB 3.96Å; L31-W35 HydrophobicContact CG-CB 4.42Å; P32-W35 WeakPolarHBondContact O-CB 3.39Å; P32-W35 PolarHBondContact O-N 3.46Å; W35-W47 CarbonylContact C-O 3.58Å; W35-W47 WeakPolarHBondContact CA-O 3.47Å; W35-H48 AromaticContact CD1-CD2 3.38Å; W35-H48 HydrophobicContact CD2-CB 3.74Å; W35-H48 AromaticContact CD2-CD2 3.8Å; W35-H48 AromaticContact CE2-CD2 3.54Å; W35-H48 AromaticContact CE2-CG 3.74Å; W35-H48 HydrophobicContact CE3-CB 3.73Å; W35-H48 HydrophobicContact CG-CB 4.47Å; W35-H48 AromaticContact CG-CD2 3.76Å; W35-H48 HydrophobicContact CH2-CB 3.74Å; W35-H48 HydrophobicContact CZ2-CB 3.74Å; W35-H48 AromaticContact CZ2-CG 3.99Å; W35-H48 HydrophobicContact CZ3-CB 3.72Å; W35-H48 AromaticContact NE1-CD2 3.24Å; W35-H48 PolarHBondContact NE1-CD2 3.05Å; W35-H48 AromaticContact NE1-CG 3.89Å; W35-H48 AromaticContact NE1-NE2 3.85Å; W35-Q55 HydrophobicContact CH2-CG 3.98Å; W35-Q55 HydrophobicContact CZ3-CG 3.72Å; W35-P59 HydrophobicContact CB-CG 4.43Å; W35-P59 HydrophobicContact CD2-CB 3.97Å; W35-P59 HydrophobicContact CD2-CG 3.37Å; W35-P59 HydrophobicContact CE3-CB 4.43Å; W35-P59 HydrophobicContact CE3-CG 3.42Å; W35-P59 VanDerWaalsContact CE3-CG 3.42Å; W35-P59 HydrophobicContact CG-CB 4.25Å; W35-P59 HydrophobicContact CG-CG 3.85Å; W35-P59 HydrophobicContact CH2-CG 4.21Å; W35-P59 HydrophobicContact CZ2-CB 4.32Å; W35-P59 HydrophobicContact CZ2-CG 4.17Å; W35-P59 HydrophobicContact CZ3-CG 3.87Å |
| 36 | R | 64.5 | Low | 56.7 | Low | 142 Ų | 142 | 79.7 Ų | 79.7 | 54% | 0.536 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 141.5 | 173.7 | -67 | -174.6 | -179 | 179.8 | 7.7 | 110.7 | Y46 W47 V49 | R36-Y46 CarbonylContact O-C 3.59Å; R36-Y46 WeakPolarHBondContact O-CA 3.36Å; R36-W47 PolarHBondContact N-O 3.15Å; R36-W47 PolarHBondContact O-N 3.31Å; R36-V49 HydrophobicContact CG-CG2 3.74Å |
| 37 | T | 65.2 | Low | 57.6 | Low | 23 Ų | 23 | 77.1 Ų | 77.1 | 14% | 0.141 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 126.6 | 168 | -55.2 | 0 | 0 | 0 | 0 | 109.6 | D28 L31 K39 T44 Y46 | D28-T37 WeakPolarHBondContact CB-OG1 3.46Å; L31-T37 WeakPolarHBondContact CD1-OG1 3.37Å; T37-K39 HydrophobicContact CG2-CG 4.14Å; T37-T44 HydrophobicContact CG2-CG2 3.37Å; T37-Y46 HydrophobicContact CG2-CD1 4.44Å; T37-Y46 HydrophobicContact CG2-CE1 4.06Å; T37-Y46 WeakPolarHBondContact OG1-CE1 3.41Å |
| 38 | I | 66.8 | Low | 58.2 | Low | 53 Ų | 53 | 71 Ų | 71 | 27% | 0.272 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 136.9 | 168.3 | -49.8 | -60.7 | 0 | 0 | 0 | 108.2 | T44 Y45 W47 | I38-T44 WeakPolarHBondContact O-CA 3.11Å; I38-Y45 HydrophobicContact CB-CD1 4.15Å; I38-Y45 HydrophobicContact CB-CD2 4.18Å; I38-Y45 HydrophobicContact CB-CE1 3.77Å; I38-Y45 HydrophobicContact CB-CE2 3.82Å; I38-Y45 HydrophobicContact CB-CG 4.34Å; I38-Y45 HydrophobicContact CG1-CD2 4.38Å; I38-Y45 HydrophobicContact CG1-CE2 3.84Å; I38-Y45 HydrophobicContact CG2-CD1 4.38Å; I38-Y45 HydrophobicContact CG2-CE1 3.6Å; I38-Y45 HydrophobicContact CG2-CE2 4.25Å; I38-Y45 PolarHBondContact N-O 2.81Å; I38-Y45 PolarHBondContact O-N 3.41Å; I38-W47 HydrophobicContact CD1-CE3 4.46Å; I38-W47 HydrophobicContact CG1-CB 4.27Å |
| 39 | K | 54.7 | Low | 58.5 | Low | 125 Ų | 125 | 70.7 Ų | 70.7 | 54% | 0.543 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 124.4 | 176.7 | -62.9 | -169.8 | 175.1 | 175.9 | 0 | 109 | T37 T44 | T37-K39 HydrophobicContact CG2-CG 4.14Å; K39-T44 HydrophobicContact CG-CG2 3.98Å |
| 40 | D | 57.5 | Low | 58.1 | Low | 72 Ų | 72 | 69.6 Ų | 69.6 | 39% | 0.385 | 38% | 0.384 | S | S | . | . | trans | -131.2 | -168.4 | 178.2 | 65.6 | 23.6 | 0 | 0 | 0 | 110.7 | T42 G43 Y45 | D40-T42 PolarHBondContact O-N 2.58Å; D40-T42 VanDerWaalsContact OD1-CA 3.3Å; D40-T42 WeakPolarHBondContact OD1-CA 3.27Å; D40-T42 WeakPolarHBondContact OD1-CB 3.5Å; D40-T42 PolarHBondContact OD1-N 2.68Å; D40-T42 PolarHBondContact OD1-OG1 2.7Å; D40-T42 PolarHBondContact OD2-OG1 2.98Å; D40-G43 PolarHBondContact N-O 3.24Å; D40-G43 VanDerWaalsContact N-O 3.08Å; D40-G43 PolarHBondContact OD1-N 3.27Å; D40-Y45 WeakPolarHBondContact OD2-CE1 3.44Å | ||
| 41 | S | 50.7 | Low | 57.4 | Low | 129 Ų | 129 | 68 Ų | 68 | 90% | 0.902 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -73.9 | -9.2 | 177.7 | 50.6 | 0 | 0 | 0 | 0 | 114.4 | ||
| 42 | T | 45.6 | Very low | 56.6 | Low | 101 Ų | 101 | 68.7 Ų | 68.7 | 62% | 0.62 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -102.9 | -25.7 | -178.4 | 75.5 | 0 | 0 | 0 | 0 | 112.7 | D40 | D40-T42 PolarHBondContact O-N 2.58Å; D40-T42 VanDerWaalsContact OD1-CA 3.3Å; D40-T42 WeakPolarHBondContact OD1-CA 3.27Å; D40-T42 WeakPolarHBondContact OD1-CB 3.5Å; D40-T42 PolarHBondContact OD1-N 2.68Å; D40-T42 PolarHBondContact OD1-OG1 2.7Å; D40-T42 PolarHBondContact OD2-OG1 2.98Å |
| 43 | G | 47.8 | Very low | 55.9 | Low | 28 Ų | 28 | 69.9 Ų | 69.9 | 29% | 0.289 | 41% | 0.405 | S | S | . | . | trans | 164.4 | -150.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | D40 | D40-G43 PolarHBondContact N-O 3.24Å; D40-G43 VanDerWaalsContact N-O 3.08Å; D40-G43 PolarHBondContact OD1-N 3.27Å | ||
| 44 | T | 65.1 | Low | 56.2 | Low | 52 Ų | 52 | 68.5 Ų | 68.5 | 32% | 0.319 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 124.6 | 172 | -60.8 | 0 | 0 | 0 | 0 | 108.3 | T37 I38 K39 | T37-T44 HydrophobicContact CG2-CG2 3.37Å; I38-T44 WeakPolarHBondContact O-CA 3.11Å; K39-T44 HydrophobicContact CG-CG2 3.98Å |
| 45 | Y | 56.8 | Low | 56.2 | Low | 62 Ų | 62 | 70.6 Ų | 70.6 | 24% | 0.243 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 161.7 | 175.8 | 70.6 | -90.7 | 0 | 0 | 0 | 110.9 | I38 D40 T54 W56 | I38-Y45 HydrophobicContact CB-CD1 4.15Å; I38-Y45 HydrophobicContact CB-CD2 4.18Å; I38-Y45 HydrophobicContact CB-CE1 3.77Å; I38-Y45 HydrophobicContact CB-CE2 3.82Å; I38-Y45 HydrophobicContact CB-CG 4.34Å; I38-Y45 HydrophobicContact CG1-CD2 4.38Å; I38-Y45 HydrophobicContact CG1-CE2 3.84Å; I38-Y45 HydrophobicContact CG2-CD1 4.38Å; I38-Y45 HydrophobicContact CG2-CE1 3.6Å; I38-Y45 HydrophobicContact CG2-CE2 4.25Å; I38-Y45 PolarHBondContact N-O 2.81Å; I38-Y45 PolarHBondContact O-N 3.41Å; D40-Y45 WeakPolarHBondContact OD2-CE1 3.44Å; Y45-T54 HydrophobicContact CD2-CG2 4.32Å; Y45-T54 HydrophobicContact CE2-CG2 4.08Å; Y45-W56 HydrophobicContact CD1-CH2 4.25Å; Y45-W56 HydrophobicContact CD1-CZ3 4.25Å |
| 46 | Y | 70.2 | Confident | 56.4 | Low | 30 Ų | 30 | 76 Ų | 76 | 12% | 0.118 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 131.8 | -172.7 | -54.1 | -85 | 0 | 0 | 0 | 109.7 | L31 R36 T37 T54 Q55 Q57 H58 P59 | L31-Y46 HydrophobicContact CD1-CD1 4.43Å; L31-Y46 HydrophobicContact CD2-CD1 3.69Å; L31-Y46 HydrophobicContact CD2-CE1 4.16Å; R36-Y46 CarbonylContact O-C 3.59Å; R36-Y46 WeakPolarHBondContact O-CA 3.36Å; T37-Y46 HydrophobicContact CG2-CD1 4.44Å; T37-Y46 HydrophobicContact CG2-CE1 4.06Å; T37-Y46 WeakPolarHBondContact OG1-CE1 3.41Å; Y46-T54 CarbonylContact O-C 3.57Å; Y46-T54 WeakPolarHBondContact O-CA 3.36Å; Y46-Q55 PolarHBondContact N-O 2.97Å; Y46-Q55 PolarHBondContact O-N 2.86Å; Y46-Q57 WeakPolarHBondContact CD2-O 3.49Å; Y46-H58 HydrophobicContact CE1-CB 4.47Å; Y46-H58 AromaticContact CE1-CD2 3.52Å; Y46-H58 HydrophobicContact CE2-CB 3.99Å; Y46-H58 AromaticContact CZ-CD2 3.57Å; Y46-H58 AromaticContact CZ-CG 3.99Å; Y46-H58 PolarHBondContact OH-CD2 3.49Å; Y46-P59 HydrophobicContact CG-CG 4.44Å |
| 47 | W | 56.4 | Low | 56.4 | Low | 85 Ų | 85 | 76.6 Ų | 76.6 | 32% | 0.322 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 124.4 | -176.4 | 175.6 | 44.2 | 0 | 0 | 0 | 110.7 | W35 R36 I38 V49 G52 A53 T54 | W35-W47 CarbonylContact C-O 3.58Å; W35-W47 WeakPolarHBondContact CA-O 3.47Å; R36-W47 PolarHBondContact N-O 3.15Å; R36-W47 PolarHBondContact O-N 3.31Å; I38-W47 HydrophobicContact CD1-CE3 4.46Å; I38-W47 HydrophobicContact CG1-CB 4.27Å; W47-V49 HydrophobicContact CD2-CG2 4.22Å; W47-V49 HydrophobicContact CE3-CG2 3.93Å; W47-V49 HydrophobicContact CH2-CG1 4.3Å; W47-V49 HydrophobicContact CH2-CG2 4.28Å; W47-V49 HydrophobicContact CZ2-CG1 4.49Å; W47-V49 HydrophobicContact CZ3-CG2 3.97Å; W47-V49 PolarHBondContact O-N 3.13Å; W47-G52 PolarHBondContact NE1-O 3.4Å; W47-A53 CarbonylContact C-O 3.6Å; W47-A53 WeakPolarHBondContact CA-O 3.27Å; W47-T54 HydrophobicContact CB-CG2 4.15Å; W47-T54 HydrophobicContact CG-CG2 4.13Å |
| 48 | H | 56.6 | Low | 56.8 | Low | 34 Ų | 34 | 78.7 Ų | 78.7 | 16% | 0.157 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 100.2 | 173.5 | -166.7 | -125.7 | 0 | 0 | 0 | 109.9 | G34 W35 P50 T51 G52 A53 | G34-H48 VanDerWaalsContact C-CD2 3.5Å; G34-H48 CarbonylContact O-C 3.49Å; W35-H48 AromaticContact CD1-CD2 3.38Å; W35-H48 HydrophobicContact CD2-CB 3.74Å; W35-H48 AromaticContact CD2-CD2 3.8Å; W35-H48 AromaticContact CE2-CD2 3.54Å; W35-H48 AromaticContact CE2-CG 3.74Å; W35-H48 HydrophobicContact CE3-CB 3.73Å; W35-H48 HydrophobicContact CG-CB 4.47Å; W35-H48 AromaticContact CG-CD2 3.76Å; W35-H48 HydrophobicContact CH2-CB 3.74Å; W35-H48 HydrophobicContact CZ2-CB 3.74Å; W35-H48 AromaticContact CZ2-CG 3.99Å; W35-H48 HydrophobicContact CZ3-CB 3.72Å; W35-H48 AromaticContact NE1-CD2 3.24Å; W35-H48 PolarHBondContact NE1-CD2 3.05Å; W35-H48 AromaticContact NE1-CG 3.89Å; W35-H48 AromaticContact NE1-NE2 3.85Å; H48-P50 VanDerWaalsContact C-CD 3.5Å; H48-T51 WeakPolarHBondContact ND1-CG2 3.5Å; H48-T51 PolarHBondContact ND1-OG1 3.47Å; H48-T51 PolarHBondContact O-N 3.09Å; H48-G52 WeakPolarHBondContact O-CA 3.34Å; H48-G52 PolarHBondContact O-N 3.3Å; H48-A53 HydrophobicContact CB-CB 4.37Å; H48-A53 PolarHBondContact N-O 3.36Å; H48-A53 PolarHBondContact O-N 2.93Å |
| 49 | V | 53.5 | Low | 56.5 | Low | 54 Ų | 54 | 76.6 Ų | 76.6 | 33% | 0.327 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -55.8 | -43.1 | -174.6 | -175.3 | 0 | 0 | 0 | 0 | 113 | G34 R36 W47 T51 | G34-V49 PolarHBondContact O-N 3.33Å; R36-V49 HydrophobicContact CG-CG2 3.74Å; W47-V49 HydrophobicContact CD2-CG2 4.22Å; W47-V49 HydrophobicContact CE3-CG2 3.93Å; W47-V49 HydrophobicContact CH2-CG1 4.3Å; W47-V49 HydrophobicContact CH2-CG2 4.28Å; W47-V49 HydrophobicContact CZ2-CG1 4.49Å; W47-V49 HydrophobicContact CZ3-CG2 3.97Å; W47-V49 PolarHBondContact O-N 3.13Å; V49-T51 VanDerWaalsContact C-N 3.33Å; V49-T51 PolarHBondContact O-N 2.95Å |
| 50 | P | 42.1 | Very low | 56.7 | Low | 95 Ų | 95 | 81.1 Ų | 81.1 | 62% | 0.617 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -69.4 | -23.7 | -178 | -20.5 | 33.8 | 0 | 0 | 0 | 115 | G34 H48 | G34-P50 WeakPolarHBondContact O-CD 3.27Å; H48-P50 VanDerWaalsContact C-CD 3.5Å |
| 51 | T | 41.5 | Very low | 56.1 | Low | 98 Ų | 98 | 84.9 Ų | 84.9 | 60% | 0.601 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -118.6 | 3.4 | -176.9 | 69.4 | 0 | 0 | 0 | 0 | 113.5 | H48 V49 A53 | H48-T51 WeakPolarHBondContact ND1-CG2 3.5Å; H48-T51 PolarHBondContact ND1-OG1 3.47Å; H48-T51 PolarHBondContact O-N 3.09Å; V49-T51 VanDerWaalsContact C-N 3.33Å; V49-T51 PolarHBondContact O-N 2.95Å; T51-A53 PolarHBondContact O-N 3.04Å |
| 52 | G | 46.7 | Very low | 55.4 | Low | 46 Ų | 46 | 85.1 Ų | 85.1 | 47% | 0.474 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67 | -1.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | W47 H48 | W47-G52 PolarHBondContact NE1-O 3.4Å; H48-G52 WeakPolarHBondContact O-CA 3.34Å; H48-G52 PolarHBondContact O-N 3.3Å |
| 53 | A | 49.1 | Very low | 54.8 | Low | 43 Ų | 43 | 83.3 Ų | 83.3 | 36% | 0.355 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 135.6 | -169.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | W47 H48 T51 | W47-A53 CarbonylContact C-O 3.6Å; W47-A53 WeakPolarHBondContact CA-O 3.27Å; H48-A53 HydrophobicContact CB-CB 4.37Å; H48-A53 PolarHBondContact N-O 3.36Å; H48-A53 PolarHBondContact O-N 2.93Å; T51-A53 PolarHBondContact O-N 3.04Å |
| 54 | T | 62.1 | Low | 53.8 | Low | 93 Ų | 93 | 89 Ų | 89 | 57% | 0.571 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 143.7 | 176.5 | 52.1 | 0 | 0 | 0 | 0 | 111.3 | Y45 Y46 W47 | Y45-T54 HydrophobicContact CD2-CG2 4.32Å; Y45-T54 HydrophobicContact CE2-CG2 4.08Å; Y46-T54 CarbonylContact O-C 3.57Å; Y46-T54 WeakPolarHBondContact O-CA 3.36Å; W47-T54 HydrophobicContact CB-CG2 4.15Å; W47-T54 HydrophobicContact CG-CG2 4.13Å |
| 55 | Q | 61.5 | Low | 52.5 | Low | 68 Ų | 68 | 92.5 Ų | 92.5 | 32% | 0.318 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 148.9 | 176.7 | 64.2 | -176.3 | 52.7 | 0 | 0 | 112.1 | W35 Y46 Q57 | W35-Q55 HydrophobicContact CH2-CG 3.98Å; W35-Q55 HydrophobicContact CZ3-CG 3.72Å; Y46-Q55 PolarHBondContact N-O 2.97Å; Y46-Q55 PolarHBondContact O-N 2.86Å; Q55-Q57 VanDerWaalsContact C-N 3.34Å; Q55-Q57 WeakPolarHBondContact CG-O 3.31Å; Q55-Q57 PolarHBondContact NE2-O 2.82Å |
| 56 | W | 71.1 | Confident | 51 | Low | 164 Ų | 164 | 99.2 Ų | 99.2 | 62% | 0.621 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -82.8 | -9 | 179.1 | -64.2 | 95.8 | 0 | 0 | 0 | 114.1 | Y45 | Y45-W56 HydrophobicContact CD1-CH2 4.25Å; Y45-W56 HydrophobicContact CD1-CZ3 4.25Å |
| 57 | Q | 63.8 | Low | 49.2 | Very low | 154 Ų | 154 | 102.9 Ų | 102.9 | 72% | 0.72 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -105.6 | 139.2 | -174.1 | -65.6 | 162.6 | -2.1 | 0 | 0 | 110.1 | Y46 Q55 P59 | Y46-Q57 WeakPolarHBondContact CD2-O 3.49Å; Q55-Q57 VanDerWaalsContact C-N 3.34Å; Q55-Q57 WeakPolarHBondContact CG-O 3.31Å; Q55-Q57 PolarHBondContact NE2-O 2.82Å; Q57-P59 WeakPolarHBondContact O-CD 3.28Å |
| 58 | H | 72.4 | Confident | 48 | Very low | 66 Ų | 66 | 106 Ų | 106 | 31% | 0.306 | 59% | 0.587 | S | S | . | * | trans | -65.1 | 122.2 | -177.6 | -166.7 | -65.6 | 0 | 0 | 0 | 110.9 | Y46 R60 | Y46-H58 HydrophobicContact CE1-CB 4.47Å; Y46-H58 AromaticContact CE1-CD2 3.52Å; Y46-H58 HydrophobicContact CE2-CB 3.99Å; Y46-H58 AromaticContact CZ-CD2 3.57Å; Y46-H58 AromaticContact CZ-CG 3.99Å; Y46-H58 PolarHBondContact OH-CD2 3.49Å; H58-R60 PolarHBondContact O-N 3.37Å | ||
| 59 | P | 61.2 | Low | 46.5 | Very low | 10 Ų | 10 | 113.4 Ų | 113.4 | 7% | 0.065 | 62% | 0.621 | C | S | . | * | trans | -60 | 135.7 | 175.9 | -16.9 | 27.2 | 0 | 0 | 0 | 110.8 | L31 P32 W35 Y46 Q57 | L31-P59 HydrophobicContact CD2-CG 4.08Å; P32-P59 HydrophobicContact CG-CB 3.93Å; W35-P59 HydrophobicContact CB-CG 4.43Å; W35-P59 HydrophobicContact CD2-CB 3.97Å; W35-P59 HydrophobicContact CD2-CG 3.37Å; W35-P59 HydrophobicContact CE3-CB 4.43Å; W35-P59 HydrophobicContact CE3-CG 3.42Å; W35-P59 VanDerWaalsContact CE3-CG 3.42Å; W35-P59 HydrophobicContact CG-CB 4.25Å; W35-P59 HydrophobicContact CG-CG 3.85Å; W35-P59 HydrophobicContact CH2-CG 4.21Å; W35-P59 HydrophobicContact CZ2-CB 4.32Å; W35-P59 HydrophobicContact CZ2-CG 4.17Å; W35-P59 HydrophobicContact CZ3-CG 3.87Å; Y46-P59 HydrophobicContact CG-CG 4.44Å; Q57-P59 WeakPolarHBondContact O-CD 3.28Å | ||
| 60 | R | 58.3 | Low | 45.1 | Very low | 219 Ų | 219 | 115.8 Ų | 115.8 | 83% | 0.826 | 64% | 0.636 | S | S | * | * | trans | -120.8 | 142.9 | 175.6 | -70.1 | -174.7 | 176.3 | -178.7 | -0.9 | 110.6 | H58 T62 | H58-R60 PolarHBondContact O-N 3.37Å; R60-T62 PolarHBondContact O-N 2.71Å | ||
| 61 | L | 45.2 | Very low | 44.4 | Very low | 151 Ų | 151 | 120.4 Ų | 120.4 | 79% | 0.791 | 65% | 0.649 | S | S | * | * | trans | -75.8 | 104.7 | 171.5 | -73 | 168.5 | 0 | 0 | 0 | 110 | P32 | P32-L61 HydrophobicContact CB-CD2 3.96Å; P32-L61 HydrophobicContact CB-CG 4.27Å; P32-L61 HydrophobicContact CG-CD2 4.3Å; P32-L61 HydrophobicContact CG-CG 4.19Å | ||
| 62 | T | 36.8 | Very low | 43.4 | Very low | 134 Ų | 134 | 123.6 Ų | 123.6 | 82% | 0.822 | 66% | 0.657 | S | S | * | * | trans | -119 | 108.1 | 167.3 | 40.3 | 0 | 0 | 0 | 0 | 110.3 | R60 | R60-T62 PolarHBondContact O-N 2.71Š| ||
| 63 | G | 32.1 | Very low | 42.4 | Very low | 64 Ų | 64 | 130 Ų | 130 | 66% | 0.66 | 68% | 0.675 | S | S | * | * | trans | -87.9 | 174.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 64 | T | 27.3 | Very low | 41.3 | Very low | 146 Ų | 146 | 136.4 Ų | 136.4 | 90% | 0.896 | 70% | 0.697 | S | S | * | * | trans | 68.1 | 121.5 | 177.1 | 60.5 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 65 | P | 37.8 | Very low | 39.5 | Very low | 126 Ų | 126 | 136.7 Ų | 136.7 | 82% | 0.818 | 71% | 0.709 | S | S | * | * | trans | -102.2 | 146.2 | 175.5 | 37.5 | -32.4 | 0 | 0 | 0 | 113.6 | ||||
| 66 | K | 25.7 | Very low | 37.7 | Very low | 203 Ų | 203 | 137.3 Ų | 137.3 | 88% | 0.883 | 73% | 0.734 | S | S | * | * | trans | -164.4 | 168.4 | 154.4 | -118.1 | -165.8 | 175 | -177.2 | 0 | 111.2 | ||||
| 67 | P | 31.5 | Very low | 35.4 | Very low | 107 Ų | 107 | 136.8 Ų | 136.8 | 70% | 0.695 | 74% | 0.743 | S | S | * | * | -127.5 | -175.1 | -110.2 | 42.1 | -25.4 | 0 | 0 | 0 | 114.9 | |||||
| 68 | L | 32.8 | Very low | 33.6 | Very low | 152 Ų | 152 | 138.5 Ų | 138.5 | 80% | 0.796 | 75% | 0.751 | S | S | * | * | trans | -6.9 | 129.9 | 164.7 | -100.8 | 82.6 | 0 | 0 | 0 | 117.6 | ||||
| 69 | E | 24 | Very low | 31.3 | Very low | 189 Ų | 189 | 140.7 Ų | 140.7 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | trans | -125.1 | 125 | 140.7 | -81.5 | -168 | 150.2 | 0 | 0 | 110.7 | ||||
| 70 | T | 24.5 | Very low | 29.5 | Very low | 103 Ų | 103 | 145.2 Ų | 145.2 | 63% | 0.632 | 81% | 0.812 | S | S | * | * | trans | -83.4 | 138.4 | 172.1 | -54.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 71 | Q | 26.2 | Very low | 27.9 | Very low | 193 Ų | 193 | 140.6 Ų | 140.6 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | -129.2 | 146.4 | 150.7 | -70.3 | -167.5 | 8 | 0 | 0 | 109.9 | ||||
| 72 | Q | 22.6 | Very low | 27 | Very low | 164 Ų | 164 | 141.5 Ų | 141.5 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | trans | -133.3 | 173 | -162.8 | 178.1 | 175.8 | -11.1 | 0 | 0 | 107.9 | ||||
| 73 | E | 25.6 | Very low | 26.5 | Very low | 180 Ų | 180 | 143.5 Ų | 143.5 | 84% | 0.841 | 81% | 0.806 | S | S | * | * | trans | 93.6 | 138.7 | 176.9 | -58.4 | 178 | -175.5 | 0 | 0 | 115.9 | ||||
| 74 | E | 25.5 | Very low | 26.3 | Very low | 179 Ų | 179 | 147.4 Ų | 147.4 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | cis | -158.6 | 172.9 | -32.5 | -135.6 | -172 | -162.4 | 0 | 0 | 110.8 | ||||
| 75 | A | 23.7 | Very low | 26.5 | Very low | 98 Ų | 98 | 147 Ų | 147 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | trans | -11.8 | 141.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 76 | G | 23 | Very low | 26.1 | Very low | 82 Ų | 82 | 143.2 Ų | 143.2 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | -162.3 | 64.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 77 | D | 23 | Very low | 26.4 | Very low | 152 Ų | 152 | 137.6 Ų | 137.6 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | -77.9 | 120.5 | -178.8 | -177.8 | 23.3 | 0 | 0 | 0 | 112 | ||||
| 78 | Q | 27.6 | Very low | 26.6 | Very low | 191 Ų | 191 | 136.5 Ų | 136.5 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | trans | -146 | 121.5 | 160 | -71.9 | -162.4 | 13.6 | 0 | 0 | 111 | ||||
| 79 | S | 23.4 | Very low | 26.6 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | trans | -84.1 | 137.7 | 178.4 | 53.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 80 | A | 23.7 | Very low | 27.1 | Very low | 105 Ų | 105 | 132.3 Ų | 132.3 | 87% | 0.868 | 75% | 0.751 | S | S | * | * | trans | -140.3 | 111.7 | 159.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 81 | T | 24.4 | Very low | 27.7 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | trans | -89.3 | 136.7 | -171.4 | 44.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 82 | K | 27.1 | Very low | 28.1 | Very low | 170 Ų | 170 | 125.3 Ų | 125.3 | 74% | 0.739 | 72% | 0.715 | S | S | * | * | trans | 66.2 | 154.3 | 150.2 | -62.3 | -176.4 | 165.7 | -165.4 | 0 | 116.4 | ||||
| 83 | E | 24.5 | Very low | 28.5 | Very low | 176 Ų | 176 | 120.9 Ų | 120.9 | 82% | 0.822 | 70% | 0.701 | S | S | * | * | cis | -140.5 | 132.7 | 16.3 | -66.4 | 170.6 | 160.9 | 0 | 0 | 110.9 | ||||
| 84 | T | 28.7 | Very low | 29 | Very low | 147 Ų | 147 | 120.4 Ų | 120.4 | 90% | 0.902 | 69% | 0.692 | S | S | * | * | trans | -170.6 | 53.6 | 138.5 | -56.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 85 | E | 31 | Very low | 29.7 | Very low | 138 Ų | 138 | 117.6 Ų | 117.6 | 65% | 0.645 | 68% | 0.679 | S | S | * | * | trans | -96.3 | 122.3 | 169.8 | -74 | 164.7 | 152 | 0 | 0 | 106.9 | ||||
| 86 | G | 29.8 | Very low | 30.5 | Very low | 46 Ų | 46 | 120.1 Ų | 120.1 | 47% | 0.474 | 67% | 0.674 | S | S | . | * | S | Bend | trans | 178.9 | -45.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 87 | A | 32 | Very low | 31.1 | Very low | 84 Ų | 84 | 122.8 Ų | 122.8 | 69% | 0.694 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -85.7 | -23.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 88 | S | 35.9 | Very low | 32.2 | Very low | 84 Ų | 84 | 121.3 Ų | 121.3 | 59% | 0.587 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -87 | -30.7 | -173.5 | -165.5 | 0 | 0 | 0 | 0 | 114.1 | S92 | S88-S92 PolarHBondContact O-N 2.95Å; S88-S92 PolarHBondContact O-OG 3.02Å |
| 89 | E | 32 | Very low | 33.1 | Very low | 129 Ų | 129 | 118.1 Ų | 118.1 | 60% | 0.603 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -78.9 | -40.9 | -179.6 | -63.2 | -173 | 136.5 | 0 | 0 | 111 | W91 S92 S93 | E89-W91 VanDerWaalsContact C-N 3.33Å; E89-W91 PolarHBondContact O-N 2.92Å; E89-S92 PolarHBondContact O-N 3.03Å; E89-S92 VanDerWaalsContact O-N 3.1Å; E89-S93 PolarHBondContact O-N 2.98Å |
| 90 | E | 35.6 | Very low | 33.9 | Very low | 124 Ų | 124 | 118.9 Ų | 118.9 | 58% | 0.579 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -59.2 | -44 | 173.2 | -164.4 | 165.6 | -146.1 | 0 | 0 | 110.7 | S92 S93 W94 | E90-S92 VanDerWaalsContact C-N 3.3Å; E90-S92 PolarHBondContact O-N 3.47Å; E90-S93 WeakPolarHBondContact O-CB 3.25Å; E90-S93 PolarHBondContact O-N 2.79Å; E90-W94 PolarHBondContact O-N 3.03Å |
| 91 | W | 36.1 | Very low | 34.9 | Very low | 89 Ų | 89 | 120.5 Ų | 120.5 | 34% | 0.337 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -59.9 | -36.9 | 173.8 | -162.4 | -69.8 | 0 | 0 | 0 | 113.4 | E89 Q95 A110 E160 | E89-W91 VanDerWaalsContact C-N 3.33Å; E89-W91 PolarHBondContact O-N 2.92Å; W91-Q95 PolarHBondContact O-N 2.71Å; W91-A110 HydrophobicContact CZ2-CB 4.17Å; W91-E160 HydrophobicContact CH2-CB 4.34Å; W91-E160 WeakPolarHBondContact CH2-OE2 3.25Å; W91-E160 VanDerWaalsContact CZ3-OE2 3.32Å; W91-E160 WeakPolarHBondContact CZ3-OE2 3.22Å |
| 92 | S | 35.6 | Very low | 36.4 | Very low | 61 Ų | 61 | 118.2 Ų | 118.2 | 43% | 0.427 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -73.3 | -35 | 178.9 | -57.2 | 0 | 0 | 0 | 0 | 111.6 | S88 E89 E90 Q95 E96 | S88-S92 PolarHBondContact O-N 2.95Å; S88-S92 PolarHBondContact O-OG 3.02Å; E89-S92 PolarHBondContact O-N 3.03Å; E89-S92 VanDerWaalsContact O-N 3.1Å; E90-S92 VanDerWaalsContact C-N 3.3Å; E90-S92 PolarHBondContact O-N 3.47Å; S92-Q95 WeakPolarHBondContact O-CB 3.22Å; S92-Q95 PolarHBondContact O-N 2.89Å; S92-E96 PolarHBondContact O-N 3.31Å |
| 93 | S | 29.8 | Very low | 37.8 | Very low | 70 Ų | 70 | 113.3 Ų | 113.3 | 49% | 0.49 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -61.9 | -47.9 | 176.2 | -166.7 | 0 | 0 | 0 | 0 | 112.2 | E89 E90 Q95 E96 E97 | E89-S93 PolarHBondContact O-N 2.98Å; E90-S93 WeakPolarHBondContact O-CB 3.25Å; E90-S93 PolarHBondContact O-N 2.79Å; S93-Q95 PolarHBondContact O-N 2.82Å; S93-E96 PolarHBondContact O-N 3.24Å; S93-E97 PolarHBondContact O-N 3.23Å |
| 94 | W | 36.1 | Very low | 39.7 | Very low | 171 Ų | 171 | 111 Ų | 111 | 65% | 0.648 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64.4 | -25.3 | 175.9 | -60.7 | 116.6 | 0 | 0 | 0 | 112.9 | E90 | E90-W94 PolarHBondContact O-N 3.03Å |
| 95 | Q | 41.5 | Very low | 41.6 | Very low | 119 Ų | 119 | 108.4 Ų | 108.4 | 56% | 0.556 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -77.1 | -22 | 178.1 | -164.6 | 167.2 | 12.4 | 0 | 0 | 113.2 | W91 S92 S93 L99 | W91-Q95 PolarHBondContact O-N 2.71Å; S92-Q95 WeakPolarHBondContact O-CB 3.22Å; S92-Q95 PolarHBondContact O-N 2.89Å; S93-Q95 PolarHBondContact O-N 2.82Å; Q95-L99 WeakPolarHBondContact O-CD1 3.5Å; Q95-L99 VanDerWaalsContact O-CG 3.26Å; Q95-L99 WeakPolarHBondContact O-CG 3.36Å |
| 96 | E | 40.2 | Very low | 44.1 | Very low | 151 Ų | 151 | 102.6 Ų | 102.6 | 71% | 0.706 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -92.4 | -40.3 | 175 | -88.6 | -175.7 | 152.2 | 0 | 0 | 113.4 | S92 S93 Y98 L99 | S92-E96 PolarHBondContact O-N 3.31Å; S93-E96 PolarHBondContact O-N 3.24Å; E96-Y98 VanDerWaalsContact C-N 3.3Å; E96-Y98 PolarHBondContact O-N 3.31Å; E96-L99 PolarHBondContact O-N 3Å |
| 97 | E | 36.3 | Very low | 46.9 | Very low | 138 Ų | 138 | 104 Ų | 104 | 65% | 0.645 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.5 | -32.9 | -172.6 | -163.1 | 165.8 | -159.5 | 0 | 0 | 113 | S93 T100 | S93-E97 PolarHBondContact O-N 3.23Å; E97-T100 PolarHBondContact O-OG1 2.87Å |
| 98 | Y | 44.7 | Very low | 49.8 | Very low | 122 Ų | 122 | 102.4 Ų | 102.4 | 48% | 0.478 | 53% | 0.525 | S | S | . | . | G | 310 helix | trans | -91.1 | -5.1 | -178.5 | -150.1 | -100.7 | 0 | 0 | 0 | 115.1 | E96 T100 H102 | E96-Y98 VanDerWaalsContact C-N 3.3Å; E96-Y98 PolarHBondContact O-N 3.31Å; Y98-T100 PolarHBondContact O-N 2.98Å; Y98-T100 VanDerWaalsContact O-N 3.16Å; Y98-H102 AromaticContact CD1-CE1 3.96Å; Y98-H102 AromaticContact CD1-NE2 3.42Å; Y98-H102 WeakPolarHBondContact CD1-NE2 3.27Å; Y98-H102 AromaticContact CE1-CE1 3.61Å; Y98-H102 AromaticContact CE1-NE2 3.56Å |
| 99 | L | 46.2 | Very low | 52.5 | Low | 123 Ų | 123 | 99.6 Ų | 99.6 | 64% | 0.644 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -70.8 | -5.5 | 174.8 | -76.6 | 172.3 | 0 | 0 | 0 | 113.4 | Q95 E96 | Q95-L99 WeakPolarHBondContact O-CD1 3.5Å; Q95-L99 VanDerWaalsContact O-CG 3.26Å; Q95-L99 WeakPolarHBondContact O-CG 3.36Å; E96-L99 PolarHBondContact O-N 3Å |
| 100 | T | 41.8 | Very low | 55.5 | Low | 127 Ų | 127 | 94.1 Ų | 94.1 | 78% | 0.779 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -85.4 | -13.3 | -171.8 | -31.2 | 0 | 0 | 0 | 0 | 114.7 | E97 Y98 | E97-T100 PolarHBondContact O-OG1 2.87Å; Y98-T100 PolarHBondContact O-N 2.98Å; Y98-T100 VanDerWaalsContact O-N 3.16Å |
| 101 | D | 44.3 | Very low | 58.2 | Low | 140 Ų | 140 | 88.4 Ų | 88.4 | 75% | 0.749 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -126.5 | 11.3 | -173.2 | -163.3 | 45.6 | 0 | 0 | 0 | 114.6 | D103 | D101-D103 PolarHBondContact O-N 3.25Š|
| 102 | H | 55.3 | Low | 60.9 | Low | 74 Ų | 74 | 89.4 Ų | 89.4 | 34% | 0.343 | 46% | 0.457 | S | S | . | . | trans | -83.9 | 118.2 | -177.2 | -85.7 | -49 | 0 | 0 | 0 | 114.2 | Y98 | Y98-H102 AromaticContact CD1-CE1 3.96Å; Y98-H102 AromaticContact CD1-NE2 3.42Å; Y98-H102 WeakPolarHBondContact CD1-NE2 3.27Å; Y98-H102 AromaticContact CE1-CE1 3.61Å; Y98-H102 AromaticContact CE1-NE2 3.56Å | ||
| 103 | D | 57.2 | Low | 63.6 | Low | 67 Ų | 67 | 86.8 Ų | 86.8 | 36% | 0.358 | 44% | 0.438 | S | S | . | . | trans | -36.6 | 116.4 | 153.5 | 173.5 | 14.2 | 0 | 0 | 0 | 111.3 | D101 D105 S106 K166 | D101-D103 PolarHBondContact O-N 3.25Å; D103-D105 PolarHBondContact O-N 3.17Å; D103-S106 WeakPolarHBondContact O-CB 3.32Å; D103-S106 PolarHBondContact O-N 2.83Å; D103-S106 PolarHBondContact O-OG 2.9Å; D103-S106 VanDerWaalsContact O-OG 3.09Å; D103-K166 WeakPolarHBondContact OD2-CE 3.35Å; D103-K166 IonicContact OD2-NZ 2.89Å; D103-K166 PolarHBondContact OD2-NZ 3.21Å | ||
| 104 | P | 63 | Low | 66.4 | Low | 126 Ų | 126 | 84.2 Ų | 84.2 | 82% | 0.818 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -12.7 | -164.6 | 24.6 | -35.6 | 0 | 0 | 0 | 115 | S106 | P104-S106 VanDerWaalsContact C-N 3.33Š|
| 105 | D | 70.4 | Confident | 69 | Low | 93 Ų | 93 | 76.7 Ų | 76.7 | 50% | 0.497 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 0.5 | 174.4 | -95.5 | 2 | 0 | 0 | 0 | 113.8 | D103 K238 | D103-D105 PolarHBondContact O-N 3.17Å; D105-K238 IonicContact OD1-NZ 3.96Å; D105-K238 PolarHBondContact OD1-NZ 2.99Å; D105-K238 IonicContact OD2-NZ 3.45Å; D105-K238 PolarHBondContact OD2-NZ 3.35Å |
| 106 | S | 83.2 | Confident | 71.3 | Confident | 17 Ų | 17 | 74.4 Ų | 74.4 | 12% | 0.119 | 38% | 0.381 | C | S | . | . | trans | -98.3 | 133.2 | -178 | -46.5 | 0 | 0 | 0 | 0 | 112 | D103 P104 K166 | D103-S106 WeakPolarHBondContact O-CB 3.32Å; D103-S106 PolarHBondContact O-N 2.83Å; D103-S106 PolarHBondContact O-OG 2.9Å; D103-S106 VanDerWaalsContact O-OG 3.09Å; P104-S106 VanDerWaalsContact C-N 3.33Å; S106-K166 WeakPolarHBondContact OG-CD 3.49Å; S106-K166 WeakPolarHBondContact OG-CE 3.1Å; S106-K166 PolarHBondContact OG-NZ 2.82Å; S106-K166 VanDerWaalsContact OG-NZ 3.1Å | ||
| 107 | K | 88.8 | Confident | 73.6 | Confident | 74 Ų | 74 | 69.6 Ų | 69.6 | 32% | 0.322 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 123.1 | 178.3 | -64.3 | 176.9 | -176.8 | 178.2 | 0 | 111.5 | F109 L165 A231 E234 | K107-F109 HydrophobicContact CB-CE2 3.78Å; K107-F109 HydrophobicContact CB-CZ 4.07Å; K107-L165 HydrophobicContact CB-CB 4.38Å; K107-L165 PolarHBondContact N-O 2.94Å; K107-L165 PolarHBondContact O-N 3.21Å; K107-A231 HydrophobicContact CD-CB 3.62Å; K107-E234 IonicContact NZ-OE2 3.19Å; K107-E234 PolarHBondContact NZ-OE2 2.92Å |
| 108 | C | 91.7 | Very high | 76.2 | Confident | 51 Ų | 51 | 68 Ų | 68 | 35% | 0.345 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 137.7 | -173.6 | -58.1 | 0 | 0 | 0 | 0 | 111.6 | M162 L163 | C108-M162 HydrophobicContact CB-CE 4.31Å; C108-L163 CarbonylContact C-O 3.59Å |
| 109 | F | 93.4 | Very high | 78.2 | Confident | 26 Ų | 26 | 62.8 Ų | 62.8 | 11% | 0.114 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 124.5 | -177.1 | -54.7 | -88.5 | 0 | 0 | 0 | 111.1 | K107 V111 L163 L165 A227 I228 A231 | K107-F109 HydrophobicContact CB-CE2 3.78Å; K107-F109 HydrophobicContact CB-CZ 4.07Å; F109-V111 HydrophobicContact CB-CG1 4.29Å; F109-V111 PolarHBondContact O-N 2.87Å; F109-L163 HydrophobicContact CB-CB 4.48Å; F109-L163 HydrophobicContact CD2-CD2 4.06Å; F109-L163 PolarHBondContact N-O 3.26Å; F109-L163 PolarHBondContact O-N 3.36Å; F109-L165 HydrophobicContact CE2-CD1 3.91Å; F109-L165 HydrophobicContact CE2-CG 4.27Å; F109-A227 HydrophobicContact CE1-CB 3.94Å; F109-I228 HydrophobicContact CB-CD1 3.83Å; F109-I228 HydrophobicContact CB-CG1 4.19Å; F109-I228 HydrophobicContact CD1-CD1 4.21Å; F109-I228 HydrophobicContact CD1-CG1 3.64Å; F109-I228 HydrophobicContact CD2-CD1 4.29Å; F109-I228 HydrophobicContact CD2-CG1 3.92Å; F109-I228 HydrophobicContact CE1-CG1 3.89Å; F109-I228 HydrophobicContact CE2-CG1 4.18Å; F109-I228 HydrophobicContact CG-CD1 3.86Å; F109-I228 HydrophobicContact CG-CG1 3.64Å; F109-I228 HydrophobicContact CZ-CG1 4.15Å; F109-A231 HydrophobicContact CE2-CB 4.43Å; F109-A231 HydrophobicContact CZ-CB 4.16Å |
| 110 | A | 93.5 | Very high | 79.9 | Confident | 14 Ų | 14 | 61.6 Ų | 61.6 | 12% | 0.116 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 123.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | W91 M162 N222 | W91-A110 HydrophobicContact CZ2-CB 4.17Å; A110-M162 HydrophobicContact CB-SD 3.95Å; A110-N222 HydrophobicContact CB-CB 4.29Å; A110-N222 PolarHBondContact O-N 3.26Å; A110-N222 VanDerWaalsContact O-N 3.11Å |
| 111 | V | 94 | Very high | 81.7 | Confident | 4 Ų | 4 | 59.6 Ų | 59.6 | 2% | 0.024 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 158.1 | -176.9 | -58 | 0 | 0 | 0 | 0 | 111.8 | F109 M161 L163 F219 R220 C221 I228 | F109-V111 HydrophobicContact CB-CG1 4.29Å; F109-V111 PolarHBondContact O-N 2.87Å; V111-M161 HydrophobicContact CG2-CB 4.14Å; V111-M161 PolarHBondContact N-O 3.46Å; V111-M161 PolarHBondContact O-N 2.88Å; V111-L163 HydrophobicContact CG1-CB 4.08Å; V111-L163 HydrophobicContact CG1-CD1 4.46Å; V111-L163 HydrophobicContact CG2-CB 3.85Å; V111-F219 HydrophobicContact CB-CB 4.17Å; V111-F219 HydrophobicContact CG2-CB 4.47Å; V111-F219 HydrophobicContact CG2-CD1 3.95Å; V111-F219 HydrophobicContact CG2-CG 4.49Å; V111-R220 CarbonylContact C-O 3.5Å; V111-R220 WeakPolarHBondContact CA-O 3.25Å; V111-C221 HydrophobicContact CG1-CB 4.34Å; V111-I228 HydrophobicContact CG1-CD1 3.98Å |
| 112 | R | 91.9 | Very high | 83.2 | Confident | 110 Ų | 110 | 58.1 Ų | 58.1 | 42% | 0.415 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 126 | 171.4 | -169.2 | -178.8 | -65.2 | 172.3 | -1.5 | 109.8 | L114 G158 R159 E160 F219 R220 | R112-L114 PolarHBondContact O-N 3.13Å; R112-G158 WeakPolarHBondContact CG-O 3.36Å; R112-R159 CarbonylContact C-O 3.45Å; R112-R159 WeakPolarHBondContact CA-O 3.44Å; R112-E160 HydrophobicContact CB-CG 4.41Å; R112-E160 HydrophobicContact CG-CG 4.09Å; R112-E160 IonicContact CZ-OE1 3.88Å; R112-E160 IonicContact NE-OE1 2.62Å; R112-E160 PolarHBondContact NE-OE1 3.36Å; R112-E160 IonicContact NH2-OE1 2.81Å; R112-E160 PolarHBondContact NH2-OE1 3.06Å; R112-F219 CarbonylContact O-C 3.51Å; R112-F219 WeakPolarHBondContact O-CA 3.46Å; R112-R220 PolarHBondContact N-O 3.29Å; R112-R220 PolarHBondContact O-N 3.26Å |
| 113 | S | 92.1 | Very high | 84.5 | Confident | 6 Ų | 6 | 57.6 Ų | 57.6 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 128.3 | 174.4 | 178.1 | 0 | 0 | 0 | 0 | 110.1 | G115 W155 G158 R159 | S113-G115 PolarHBondContact OG-N 2.89Å; S113-W155 PolarHBondContact OG-O 2.73Å; S113-W155 VanDerWaalsContact OG-O 3.06Å; S113-G158 WeakPolarHBondContact O-CA 3.48Å; S113-G158 PolarHBondContact O-N 2.73Å; S113-R159 PolarHBondContact N-O 2.59Å |
| 114 | L | 89.1 | Confident | 85.4 | Confident | 15 Ų | 15 | 55.1 Ų | 55.1 | 8% | 0.079 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 14.4 | 166.1 | -56.5 | -172.8 | 0 | 0 | 0 | 111.2 | R112 L140 V218 R220 | R112-L114 PolarHBondContact O-N 3.13Å; L114-L140 HydrophobicContact CB-CB 4.24Å; L114-V218 HydrophobicContact CB-CB 4.26Å; L114-V218 HydrophobicContact CB-CG1 4.24Å; L114-V218 HydrophobicContact CD1-CG1 3.99Å; L114-V218 HydrophobicContact CG-CG1 4.47Å; L114-V218 PolarHBondContact N-O 2.96Å; L114-R220 HydrophobicContact CD1-CB 4.21Å; L114-R220 HydrophobicContact CD2-CB 4.11Å; L114-R220 HydrophobicContact CG-CB 4.18Å |
| 115 | G | 89.4 | Confident | 85.8 | Confident | 13 Ų | 13 | 51.2 Ų | 51.2 | 13% | 0.134 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 82.4 | -156.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | S113 V218 | S113-G115 PolarHBondContact OG-N 2.89Å; G115-V218 PolarHBondContact O-N 2.89Å |
| 116 | W | 90.6 | Very high | 85.6 | Confident | 72 Ų | 72 | 53.1 Ų | 53.1 | 27% | 0.273 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 156.5 | -176.8 | 60.9 | -88.4 | 0 | 0 | 0 | 111.4 | G153 K215 C216 | W116-G153 PolarHBondContact NE1-O 3.2Å; W116-K215 HydrophobicContact CD2-CB 4.45Å; W116-K215 HydrophobicContact CD2-CD 3.93Å; W116-K215 HydrophobicContact CD2-CG 4.21Å; W116-K215 HydrophobicContact CE3-CB 4.02Å; W116-K215 HydrophobicContact CE3-CD 3.77Å; W116-K215 HydrophobicContact CE3-CG 3.62Å; W116-K215 HydrophobicContact CH2-CD 4.27Å; W116-K215 HydrophobicContact CZ2-CD 4.4Å; W116-K215 HydrophobicContact CZ3-CD 3.95Å; W116-K215 HydrophobicContact CZ3-CG 3.85Å; W116-C216 CarbonylContact C-O 3.58Å; W116-C216 WeakPolarHBondContact CA-O 3.31Å; W116-C216 WeakPolarHBondContact CB-O 3.22Å |
| 117 | L | 89.4 | Confident | 84.9 | Confident | 49 Ų | 49 | 55.7 Ų | 55.7 | 26% | 0.257 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 148.1 | 168.3 | -68.2 | 178.2 | 0 | 0 | 0 | 110 | V136 Q139 L140 C216 | L117-V136 HydrophobicContact CB-CG1 4.01Å; L117-V136 HydrophobicContact CB-CG2 4.23Å; L117-V136 HydrophobicContact CD1-CB 4.49Å; L117-V136 HydrophobicContact CD1-CG1 4.07Å; L117-V136 HydrophobicContact CD1-CG2 4.27Å; L117-V136 HydrophobicContact CG-CG1 4.25Å; L117-Q139 HydrophobicContact CD1-CB 4Å; L117-L140 HydrophobicContact CD1-CD2 4.4Å; L117-L140 HydrophobicContact CD1-CG 4.22Å; L117-L140 HydrophobicContact CD2-CD2 4.37Å; L117-L140 HydrophobicContact CG-CD1 4.13Å; L117-L140 HydrophobicContact CG-CD2 4.11Å; L117-L140 HydrophobicContact CG-CG 4.14Å; L117-C216 PolarHBondContact N-O 2.91Å; L117-C216 PolarHBondContact O-N 2.91Å |
| 118 | Q | 89.4 | Confident | 84.2 | Confident | 105 Ų | 105 | 58.2 Ų | 58.2 | 49% | 0.491 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 140.7 | 167.4 | 177.3 | 173.3 | -25.9 | 0 | 0 | 109.4 | E120 V213 L214 | Q118-E120 PolarHBondContact NE2-OE1 3.02Å; Q118-V213 HydrophobicContact CG-CB 4.39Å; Q118-L214 WeakPolarHBondContact CA-O 3.49Å |
| 119 | V | 86.7 | Confident | 83.7 | Confident | 12 Ų | 12 | 56.9 Ų | 56.9 | 7% | 0.073 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 142.7 | 173.5 | -174.6 | 0 | 0 | 0 | 0 | 107.9 | D123 L124 A132 V136 L214 C216 | V119-D123 HydrophobicContact CG1-CB 4.04Å; V119-L124 HydrophobicContact CG1-CD2 3.75Å; V119-L124 HydrophobicContact CG1-CG 4.21Å; V119-A132 HydrophobicContact CG1-CB 4.38Å; V119-V136 HydrophobicContact CG2-CG2 3.94Å; V119-L214 PolarHBondContact N-O 2.83Å; V119-L214 WeakPolarHBondContact O-CB 3.43Å; V119-C216 HydrophobicContact CG2-CB 3.56Å |
| 120 | E | 83.6 | Confident | 83.2 | Confident | 99 Ų | 99 | 59.7 Ų | 59.7 | 46% | 0.463 | 33% | 0.325 | S | S | . | . | trans | -86.4 | 151.7 | 176.5 | -53 | -57.6 | 129.3 | 0 | 0 | 110.5 | Q118 E122 D123 | Q118-E120 PolarHBondContact NE2-OE1 3.02Å; E120-E122 VanDerWaalsContact C-N 3.27Å; E120-E122 VanDerWaalsContact CB-OE2 3.29Å; E120-E122 WeakPolarHBondContact CB-OE2 3.47Å; E120-E122 PolarHBondContact O-N 3.08Å; E120-D123 PolarHBondContact O-N 3.22Å | ||
| 121 | E | 78.1 | Confident | 82.6 | Confident | 84 Ų | 84 | 64 Ų | 64 | 39% | 0.393 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -64.7 | -31.8 | -174.1 | -177.7 | 70.7 | -145.2 | 0 | 0 | 111.8 | D123 L124 R190 L214 | E121-D123 PolarHBondContact O-N 3.06Å; E121-L124 WeakPolarHBondContact O-CB 3.38Å; E121-L124 PolarHBondContact O-N 2.82Å; E121-R190 IonicContact OE1-CZ 3.8Å; E121-R190 IonicContact OE1-NE 3.13Å; E121-R190 IonicContact OE1-NH2 2.58Å; E121-R190 PolarHBondContact OE1-NH2 2.88Å; E121-R190 IonicContact OE2-CZ 3.17Å; E121-R190 IonicContact OE2-NE 2.82Å; E121-R190 PolarHBondContact OE2-NE 2.88Å; E121-R190 IonicContact OE2-NH2 3.44Å; E121-R190 PolarHBondContact OE2-NH2 3.09Å; E121-L214 HydrophobicContact CB-CD1 3.84Å; E121-L214 WeakPolarHBondContact OE2-CD1 3.44Å |
| 122 | E | 77.1 | Confident | 82.1 | Confident | 109 Ų | 109 | 64.3 Ų | 64.3 | 51% | 0.509 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -62.3 | -30 | 177.5 | -56.4 | 83.8 | 170.5 | 0 | 0 | 112.5 | E120 L124 S125 | E120-E122 VanDerWaalsContact C-N 3.27Å; E120-E122 VanDerWaalsContact CB-OE2 3.29Å; E120-E122 WeakPolarHBondContact CB-OE2 3.47Å; E120-E122 PolarHBondContact O-N 3.08Å; E122-L124 VanDerWaalsContact C-N 3.35Å; E122-S125 WeakPolarHBondContact O-CB 3.22Å; E122-S125 PolarHBondContact O-OG 3.29Å |
| 123 | D | 80.8 | Confident | 81.9 | Confident | 64 Ų | 64 | 59.2 Ų | 59.2 | 34% | 0.342 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -79.2 | -17.4 | 175.8 | -89.4 | -24.5 | 0 | 0 | 0 | 112.9 | V119 E120 E121 S125 R128 S129 A132 | V119-D123 HydrophobicContact CG1-CB 4.04Å; E120-D123 PolarHBondContact O-N 3.22Å; E121-D123 PolarHBondContact O-N 3.06Å; D123-S125 VanDerWaalsContact C-N 3.31Å; D123-R128 CarbonylContact O-C 3.5Å; D123-R128 VanDerWaalsContact O-C 3.25Å; D123-R128 IonicContact OD1-CZ 3.99Å; D123-R128 IonicContact OD1-NE 3.56Å; D123-R128 PolarHBondContact OD1-NE 2.81Å; D123-R128 IonicContact OD1-NH2 2.7Å; D123-R128 PolarHBondContact OD1-NH2 2.92Å; D123-S129 WeakPolarHBondContact O-CA 3.32Å; D123-S129 PolarHBondContact O-N 3.35Å; D123-S129 VanDerWaalsContact O-N 3.1Å; D123-A132 HydrophobicContact CB-CB 3.95Å |
| 124 | L | 77.4 | Confident | 81.6 | Confident | 15 Ų | 15 | 60.4 Ų | 60.4 | 8% | 0.079 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -86 | -0.9 | 173.3 | -56.2 | -173.5 | 0 | 0 | 0 | 113.5 | V119 E121 E122 S129 R190 V191 V205 L214 | V119-L124 HydrophobicContact CG1-CD2 3.75Å; V119-L124 HydrophobicContact CG1-CG 4.21Å; E121-L124 WeakPolarHBondContact O-CB 3.38Å; E121-L124 PolarHBondContact O-N 2.82Å; E122-L124 VanDerWaalsContact C-N 3.35Å; L124-S129 WeakPolarHBondContact O-CB 3.47Å; L124-R190 HydrophobicContact CD1-CB 4.14Å; L124-R190 HydrophobicContact CD1-CG 4.48Å; L124-V191 HydrophobicContact CB-CG2 4.38Å; L124-V191 HydrophobicContact CD2-CG2 4.16Å; L124-V205 HydrophobicContact CD1-CB 4.48Å; L124-V205 HydrophobicContact CD1-CG1 3.74Å; L124-V205 HydrophobicContact CD2-CB 4.48Å; L124-V205 HydrophobicContact CD2-CG1 4.16Å; L124-V205 HydrophobicContact CD2-CG2 4.15Å; L124-L214 HydrophobicContact CD1-CD1 3.82Å; L124-L214 HydrophobicContact CD1-CD2 4.46Å |
| 125 | S | 70.4 | Confident | 81.6 | Confident | 43 Ų | 43 | 62.7 Ų | 62.7 | 30% | 0.301 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -59.8 | 150.7 | 177 | 59.2 | 0 | 0 | 0 | 0 | 113.1 | E122 D123 G127 R128 S129 | E122-S125 WeakPolarHBondContact O-CB 3.22Å; E122-S125 PolarHBondContact O-OG 3.29Å; D123-S125 VanDerWaalsContact C-N 3.31Å; S125-G127 PolarHBondContact O-N 2.8Å; S125-R128 PolarHBondContact O-N 2.95Å; S125-R128 WeakPolarHBondContact OG-CD 3.48Å; S125-S129 PolarHBondContact O-N 2.76Å; S125-S129 VanDerWaalsContact O-N 3.09Å |
| 126 | P | 66.4 | Low | 81.6 | Confident | 133 Ų | 133 | 62.5 Ų | 62.5 | 86% | 0.864 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 123.1 | -178.4 | -26.9 | 35.6 | 0 | 0 | 0 | 112.7 | ||
| 127 | G | 69.3 | Low | 81.5 | Confident | 71 Ų | 71 | 59.3 Ų | 59.3 | 73% | 0.732 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.6 | -14.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | S125 | S125-G127 PolarHBondContact O-N 2.8Š|
| 128 | R | 73.9 | Confident | 81.4 | Confident | 128 Ų | 128 | 60.5 Ų | 60.5 | 48% | 0.483 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -34 | 171.1 | -71.1 | 177.2 | 60.9 | 177.8 | -0.4 | 112.8 | D123 S125 S130 L131 A132 | D123-R128 CarbonylContact O-C 3.5Å; D123-R128 VanDerWaalsContact O-C 3.25Å; D123-R128 IonicContact OD1-CZ 3.99Å; D123-R128 IonicContact OD1-NE 3.56Å; D123-R128 PolarHBondContact OD1-NE 2.81Å; D123-R128 IonicContact OD1-NH2 2.7Å; D123-R128 PolarHBondContact OD1-NH2 2.92Å; S125-R128 PolarHBondContact O-N 2.95Å; S125-R128 WeakPolarHBondContact OG-CD 3.48Å; R128-S130 VanDerWaalsContact C-N 3.31Å; R128-S130 PolarHBondContact O-N 2.88Å; R128-L131 WeakPolarHBondContact O-CA 3.44Å; R128-L131 WeakPolarHBondContact O-CB 3.4Å; R128-L131 PolarHBondContact O-N 3.42Å; R128-A132 PolarHBondContact O-N 3.47Å |
| 129 | S | 81.9 | Confident | 81.2 | Confident | 23 Ų | 23 | 61 Ų | 61 | 16% | 0.161 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -53.8 | -38.1 | -175.9 | 56.5 | 0 | 0 | 0 | 0 | 115.7 | D123 L124 S125 A132 V133 | D123-S129 WeakPolarHBondContact O-CA 3.32Å; D123-S129 PolarHBondContact O-N 3.35Å; D123-S129 VanDerWaalsContact O-N 3.1Å; L124-S129 WeakPolarHBondContact O-CB 3.47Å; S125-S129 PolarHBondContact O-N 2.76Å; S125-S129 VanDerWaalsContact O-N 3.09Å; S129-A132 PolarHBondContact O-N 2.87Å; S129-V133 WeakPolarHBondContact O-CG2 3.35Å; S129-V133 PolarHBondContact O-N 2.94Å |
| 130 | S | 81.6 | Confident | 81.2 | Confident | 84 Ų | 84 | 61.4 Ų | 61.4 | 59% | 0.587 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -66.2 | -36.7 | 177 | 55.3 | 0 | 0 | 0 | 0 | 112.5 | R128 S134 | R128-S130 VanDerWaalsContact C-N 3.31Å; R128-S130 PolarHBondContact O-N 2.88Å; S130-S134 WeakPolarHBondContact O-CB 3.3Å; S130-S134 PolarHBondContact O-N 3.24Å |
| 131 | L | 80.4 | Confident | 81.1 | Confident | 105 Ų | 105 | 57.9 Ų | 57.9 | 55% | 0.55 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -71.8 | -43.8 | 174.6 | -178.7 | 62.5 | 0 | 0 | 0 | 110.8 | R128 S134 N135 | R128-L131 WeakPolarHBondContact O-CA 3.44Å; R128-L131 WeakPolarHBondContact O-CB 3.4Å; R128-L131 PolarHBondContact O-N 3.42Å; L131-S134 PolarHBondContact O-N 2.82Å; L131-N135 WeakPolarHBondContact O-CB 3.35Å; L131-N135 PolarHBondContact O-N 2.8Å; L131-N135 PolarHBondContact O-ND2 2.76Å; L131-N135 PolarHBondContact O-OD1 2.95Å |
| 132 | A | 84.4 | Confident | 80.8 | Confident | 10 Ų | 10 | 60.4 Ų | 60.4 | 8% | 0.083 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -57.5 | -51.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V119 D123 R128 S129 N135 V136 | V119-A132 HydrophobicContact CG1-CB 4.38Å; D123-A132 HydrophobicContact CB-CB 3.95Å; R128-A132 PolarHBondContact O-N 3.47Å; S129-A132 PolarHBondContact O-N 2.87Å; A132-N135 PolarHBondContact O-N 3.41Å; A132-V136 WeakPolarHBondContact O-CG2 3.35Å; A132-V136 PolarHBondContact O-N 3.49Å |
| 133 | V | 87.4 | Confident | 79.9 | Confident | 4 Ų | 4 | 57.5 Ų | 57.5 | 2% | 0.024 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.2 | -40.6 | 177.4 | 175.1 | 0 | 0 | 0 | 0 | 111.6 | S129 N135 V136 I137 V191 A203 V205 | S129-V133 WeakPolarHBondContact O-CG2 3.35Å; S129-V133 PolarHBondContact O-N 2.94Å; V133-N135 VanDerWaalsContact C-N 3.33Å; V133-N135 PolarHBondContact O-N 3.21Å; V133-V136 PolarHBondContact O-N 2.82Å; V133-I137 HydrophobicContact CG1-CD1 3.92Å; V133-I137 HydrophobicContact CG1-CG1 4.41Å; V133-I137 VanDerWaalsContact O-CG1 3.3Å; V133-I137 WeakPolarHBondContact O-CG1 3.25Å; V133-I137 PolarHBondContact O-N 2.97Å; V133-V191 HydrophobicContact CG2-CB 4.42Å; V133-V191 HydrophobicContact CG2-CG1 3.88Å; V133-A203 HydrophobicContact CG1-CB 3.85Å; V133-V205 HydrophobicContact CG2-CG2 3.71Å |
| 134 | S | 87.1 | Confident | 78.6 | Confident | 30 Ų | 30 | 57.8 Ų | 57.8 | 21% | 0.21 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.1 | -40.6 | 175.1 | -178.8 | 0 | 0 | 0 | 0 | 112.1 | S130 L131 I137 Q138 | S130-S134 WeakPolarHBondContact O-CB 3.3Å; S130-S134 PolarHBondContact O-N 3.24Å; L131-S134 PolarHBondContact O-N 2.82Å; S134-I137 PolarHBondContact O-N 2.83Å; S134-Q138 WeakPolarHBondContact O-CB 3.42Å; S134-Q138 VanDerWaalsContact O-CG 3.3Å; S134-Q138 WeakPolarHBondContact O-CG 3.46Å; S134-Q138 PolarHBondContact O-N 2.76Å |
| 135 | N | 88.4 | Confident | 77.1 | Confident | 63 Ų | 63 | 60 Ų | 60 | 34% | 0.337 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.3 | -41.7 | 177.5 | -71 | -12.3 | 0 | 0 | 0 | 111.7 | L131 A132 V133 Q138 Q139 | L131-N135 WeakPolarHBondContact O-CB 3.35Å; L131-N135 PolarHBondContact O-N 2.8Å; L131-N135 PolarHBondContact O-ND2 2.76Å; L131-N135 PolarHBondContact O-OD1 2.95Å; A132-N135 PolarHBondContact O-N 3.41Å; V133-N135 VanDerWaalsContact C-N 3.33Å; V133-N135 PolarHBondContact O-N 3.21Å; N135-Q138 PolarHBondContact O-N 2.83Å; N135-Q139 WeakPolarHBondContact O-CG 3.28Å; N135-Q139 PolarHBondContact O-N 3.03Å |
| 136 | V | 89.2 | Confident | 76 | Confident | 9 Ų | 9 | 62.6 Ų | 62.6 | 6% | 0.055 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.3 | -44 | 175.6 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | L117 V119 A132 V133 Q138 Q139 L140 C216 V218 | L117-V136 HydrophobicContact CB-CG1 4.01Å; L117-V136 HydrophobicContact CB-CG2 4.23Å; L117-V136 HydrophobicContact CD1-CB 4.49Å; L117-V136 HydrophobicContact CD1-CG1 4.07Å; L117-V136 HydrophobicContact CD1-CG2 4.27Å; L117-V136 HydrophobicContact CG-CG1 4.25Å; V119-V136 HydrophobicContact CG2-CG2 3.94Å; A132-V136 WeakPolarHBondContact O-CG2 3.35Å; A132-V136 PolarHBondContact O-N 3.49Å; V133-V136 PolarHBondContact O-N 2.82Å; V136-Q138 VanDerWaalsContact C-N 3.31Å; V136-Q138 PolarHBondContact O-N 3.03Å; V136-Q139 PolarHBondContact O-N 3.11Å; V136-L140 HydrophobicContact CG1-CD1 4.03Å; V136-L140 PolarHBondContact O-N 3.3Å; V136-C216 HydrophobicContact CB-CB 4.36Å; V136-C216 HydrophobicContact CG1-CB 3.88Å; V136-C216 VanDerWaalsContact CG1-SG 3.57Å; V136-C216 HydrophobicContact CG2-CB 4.27Å; V136-V218 HydrophobicContact CG1-CG2 3.72Å |
| 137 | I | 87.6 | Confident | 75 | Confident | 5 Ų | 5 | 65 Ų | 65 | 3% | 0.026 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -57.4 | -45.7 | 172.9 | -68.7 | 168 | 0 | 0 | 0 | 110.2 | V133 S134 S141 D201 A203 V218 | V133-I137 HydrophobicContact CG1-CD1 3.92Å; V133-I137 HydrophobicContact CG1-CG1 4.41Å; V133-I137 VanDerWaalsContact O-CG1 3.3Å; V133-I137 WeakPolarHBondContact O-CG1 3.25Å; V133-I137 PolarHBondContact O-N 2.97Å; S134-I137 PolarHBondContact O-N 2.83Å; I137-S141 WeakPolarHBondContact O-CB 3.48Å; I137-S141 PolarHBondContact O-N 3.06Å; I137-S141 PolarHBondContact O-OG 2.89Å; I137-D201 HydrophobicContact CG2-CB 3.76Å; I137-A203 HydrophobicContact CD1-CB 3.76Å; I137-A203 HydrophobicContact CG1-CB 3.66Å; I137-V218 HydrophobicContact CG1-CG1 4.15Å; I137-V218 HydrophobicContact CG1-CG2 4.2Å |
| 138 | Q | 87.4 | Confident | 73.9 | Confident | 75 Ų | 75 | 66.9 Ų | 66.9 | 35% | 0.35 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 178.5 | -75 | 178.1 | 13 | 0 | 0 | 112.4 | S134 N135 V136 S141 H142 | S134-Q138 WeakPolarHBondContact O-CB 3.42Å; S134-Q138 VanDerWaalsContact O-CG 3.3Å; S134-Q138 WeakPolarHBondContact O-CG 3.46Å; S134-Q138 PolarHBondContact O-N 2.76Å; N135-Q138 PolarHBondContact O-N 2.83Å; V136-Q138 VanDerWaalsContact C-N 3.31Å; V136-Q138 PolarHBondContact O-N 3.03Å; Q138-S141 WeakPolarHBondContact CA-OG 3.37Å; Q138-S141 PolarHBondContact O-OG 2.86Å; Q138-H142 PolarHBondContact O-N 3.32Å; Q138-H142 PolarHBondContact O-ND1 2.93Å |
| 139 | Q | 86.9 | Confident | 72.8 | Confident | 115 Ų | 115 | 69.4 Ų | 69.4 | 54% | 0.537 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.8 | -53 | 177.2 | -73.1 | 174.7 | 52.2 | 0 | 0 | 111.6 | L117 N135 V136 S141 H142 C143 | L117-Q139 HydrophobicContact CD1-CB 4Å; N135-Q139 WeakPolarHBondContact O-CG 3.28Å; N135-Q139 PolarHBondContact O-N 3.03Å; V136-Q139 PolarHBondContact O-N 3.11Å; Q139-S141 PolarHBondContact O-N 2.89Å; Q139-H142 PolarHBondContact O-N 2.99Å; Q139-C143 WeakPolarHBondContact O-CB 3.44Å; Q139-C143 PolarHBondContact O-N 3.02Å |
| 140 | L | 85.8 | Confident | 71 | Confident | 21 Ų | 21 | 76 Ų | 76 | 11% | 0.11 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -76.3 | -19.3 | -176.6 | -64.4 | 178.6 | 0 | 0 | 0 | 114.1 | L114 L117 V136 V218 | L114-L140 HydrophobicContact CB-CB 4.24Å; L117-L140 HydrophobicContact CD1-CD2 4.4Å; L117-L140 HydrophobicContact CD1-CG 4.22Å; L117-L140 HydrophobicContact CD2-CD2 4.37Å; L117-L140 HydrophobicContact CG-CD1 4.13Å; L117-L140 HydrophobicContact CG-CD2 4.11Å; L117-L140 HydrophobicContact CG-CG 4.14Å; V136-L140 HydrophobicContact CG1-CD1 4.03Å; V136-L140 PolarHBondContact O-N 3.3Å; L140-V218 HydrophobicContact CB-CB 4.43Å; L140-V218 HydrophobicContact CB-CG2 4.47Å; L140-V218 HydrophobicContact CD1-CB 3.97Å; L140-V218 HydrophobicContact CD1-CG2 3.69Å |
| 141 | S | 82.3 | Confident | 69.3 | Low | 24 Ų | 24 | 82.3 Ų | 82.3 | 17% | 0.168 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -80.1 | -23.8 | 175.5 | 56.4 | 0 | 0 | 0 | 0 | 114.1 | I137 Q138 Q139 D201 R220 | I137-S141 WeakPolarHBondContact O-CB 3.48Å; I137-S141 PolarHBondContact O-N 3.06Å; I137-S141 PolarHBondContact O-OG 2.89Å; Q138-S141 WeakPolarHBondContact CA-OG 3.37Å; Q138-S141 PolarHBondContact O-OG 2.86Å; Q139-S141 PolarHBondContact O-N 2.89Å; S141-D201 VanDerWaalsContact CB-OD2 3.3Å; S141-D201 WeakPolarHBondContact CB-OD2 3.42Å; S141-R220 PolarHBondContact O-NH2 3.1Å |
| 142 | H | 71.8 | Confident | 67.7 | Low | 138 Ų | 138 | 82.2 Ų | 82.2 | 64% | 0.639 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -108.1 | -15.9 | -178.7 | -59.5 | 79.2 | 0 | 0 | 0 | 113.6 | Q138 Q139 G144 | Q138-H142 PolarHBondContact O-N 3.32Å; Q138-H142 PolarHBondContact O-ND1 2.93Å; Q139-H142 PolarHBondContact O-N 2.99Å; H142-G144 PolarHBondContact O-N 3.02Å |
| 143 | C | 57.5 | Low | 65.9 | Low | 47 Ų | 47 | 83 Ų | 83 | 32% | 0.318 | 44% | 0.442 | S | S | . | . | trans | -72.3 | 114.2 | 172.4 | -136.8 | 0 | 0 | 0 | 0 | 109.8 | Q139 | Q139-C143 WeakPolarHBondContact O-CB 3.44Å; Q139-C143 PolarHBondContact O-N 3.02Å | ||
| 144 | G | 53.9 | Low | 64.1 | Low | 71 Ų | 71 | 86.8 Ų | 86.8 | 73% | 0.732 | 47% | 0.474 | S | S | * | . | trans | -131.6 | 15.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | H142 | H142-G144 PolarHBondContact O-N 3.02Š| ||
| 145 | S | 45.3 | Very low | 62.6 | Low | 62 Ų | 62 | 89.2 Ų | 89.2 | 43% | 0.434 | 48% | 0.479 | S | S | . | . | trans | -82.3 | 124.9 | -177.6 | 45.7 | 0 | 0 | 0 | 0 | 110.9 | E147 | S145-E147 PolarHBondContact O-N 3.39Š| ||
| 146 | P | 47 | Very low | 61.1 | Low | 96 Ų | 96 | 87.7 Ų | 87.7 | 62% | 0.623 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -68.1 | -8.6 | -173.5 | 26.6 | -35.1 | 0 | 0 | 0 | 114.8 | ||
| 147 | E | 45.1 | Very low | 59.8 | Low | 183 Ų | 183 | 92.2 Ų | 92.2 | 86% | 0.855 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -78.9 | -13.9 | -175.4 | -62.2 | -178.4 | 148.2 | 0 | 0 | 113.8 | S145 | S145-E147 PolarHBondContact O-N 3.39Š|
| 148 | Q | 48.2 | Very low | 58.9 | Low | 112 Ų | 112 | 94 Ų | 94 | 52% | 0.523 | 52% | 0.518 | S | S | . | . | G | 310 helix | trans | -97.1 | 5.9 | -177.5 | -158.3 | 158.3 | 2.5 | 0 | 0 | 114.5 | D150 | Q148-D150 PolarHBondContact O-N 2.85Å; Q148-D150 VanDerWaalsContact O-N 3.11Å |
| 149 | R | 49.9 | Very low | 58.6 | Low | 181 Ų | 181 | 95.8 Ų | 95.8 | 68% | 0.683 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -19.9 | 178.7 | -73.9 | -175.7 | 175.9 | -173.7 | 0.5 | 115.1 | R151 S152 | R149-R151 VanDerWaalsContact C-N 3.26Å; R149-R151 PolarHBondContact O-N 2.72Å; R149-S152 PolarHBondContact O-OG 3.09Å |
| 150 | D | 43 | Very low | 58.6 | Low | 161 Ų | 161 | 93.3 Ų | 93.3 | 86% | 0.861 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -0 | -170.9 | -139.8 | 25.6 | 0 | 0 | 0 | 114 | Q148 S152 | Q148-D150 PolarHBondContact O-N 2.85Å; Q148-D150 VanDerWaalsContact O-N 3.11Å; D150-S152 VanDerWaalsContact C-N 3.34Å |
| 151 | R | 46.7 | Very low | 58.9 | Low | 217 Ų | 217 | 92.4 Ų | 92.4 | 82% | 0.819 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -98.2 | 41.3 | 169.8 | -68.1 | -168.3 | 176.6 | -159.8 | -0.3 | 112.4 | R149 G153 | R149-R151 VanDerWaalsContact C-N 3.26Å; R149-R151 PolarHBondContact O-N 2.72Å; R151-G153 PolarHBondContact O-N 3.28Å |
| 152 | S | 46.6 | Very low | 59.3 | Low | 103 Ų | 103 | 93.5 Ų | 93.5 | 72% | 0.72 | 51% | 0.508 | S | S | * | . | trans | -70.4 | 98.9 | -175.3 | -80 | 0 | 0 | 0 | 0 | 113.3 | R149 D150 | R149-S152 PolarHBondContact O-OG 3.09Å; D150-S152 VanDerWaalsContact C-N 3.34Å | ||
| 153 | G | 46.6 | Very low | 60.4 | Low | 26 Ų | 26 | 86.9 Ų | 86.9 | 27% | 0.268 | 48% | 0.478 | S | S | . | . | trans | -88.3 | 106.2 | 160 | 0 | 0 | 0 | 0 | 0 | 111.4 | W116 R151 W155 | W116-G153 PolarHBondContact NE1-O 3.2Å; R151-G153 PolarHBondContact O-N 3.28Å; G153-W155 VanDerWaalsContact C-N 3.27Å; G153-W155 PolarHBondContact O-N 3.27Å | ||
| 154 | A | 49.4 | Very low | 62.1 | Low | 84 Ų | 84 | 85.5 Ų | 85.5 | 69% | 0.694 | 47% | 0.468 | S | S | * | . | S | Bend | trans | 48.6 | -44.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 121 | ||
| 155 | W | 56.3 | Low | 63.9 | Low | 80 Ų | 80 | 82.1 Ų | 82.1 | 30% | 0.303 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -120.8 | 43.9 | -161.4 | -61.6 | 117.4 | 0 | 0 | 0 | 114.8 | S113 G153 M161 L181 | S113-W155 PolarHBondContact OG-O 2.73Å; S113-W155 VanDerWaalsContact OG-O 3.06Å; G153-W155 VanDerWaalsContact C-N 3.27Å; G153-W155 PolarHBondContact O-N 3.27Å; W155-M161 HydrophobicContact CB-CE 4.27Å; W155-M161 HydrophobicContact CE3-CE 4.35Å; W155-L181 HydrophobicContact CE3-CB 4.08Å; W155-L181 HydrophobicContact CH2-CB 3.8Å; W155-L181 HydrophobicContact CH2-CD2 4.46Å; W155-L181 WeakPolarHBondContact CH2-O 3.3Å; W155-L181 WeakPolarHBondContact CZ2-O 3.12Å; W155-L181 HydrophobicContact CZ3-CB 3.54Å; W155-L181 HydrophobicContact CZ3-CD1 4.33Å; W155-L181 HydrophobicContact CZ3-CD2 3.97Å; W155-L181 HydrophobicContact CZ3-CG 4.14Å |
| 156 | G | 56.1 | Low | 65.9 | Low | 32 Ų | 32 | 82.3 Ų | 82.3 | 33% | 0.33 | 43% | 0.426 | S | S | . | . | trans | 27.4 | 99.5 | 163 | 0 | 0 | 0 | 0 | 0 | 117.3 | G158 R159 | G156-G158 PolarHBondContact O-N 3.05Å; G156-R159 VanDerWaalsContact O-CB 3.25Å; G156-R159 WeakPolarHBondContact O-CB 3.24Å; G156-R159 PolarHBondContact O-N 2.84Å | ||
| 157 | E | 63.1 | Low | 67.5 | Low | 104 Ų | 104 | 85 Ų | 85 | 49% | 0.486 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.3 | 126.5 | 165.4 | -175 | -174.4 | -177.1 | 0 | 0 | 110.6 | ||
| 158 | G | 69 | Low | 69.4 | Low | 41 Ų | 41 | 80.3 Ų | 80.3 | 42% | 0.423 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.5 | -7.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | R112 S113 G156 | R112-G158 WeakPolarHBondContact CG-O 3.36Å; S113-G158 WeakPolarHBondContact O-CA 3.48Å; S113-G158 PolarHBondContact O-N 2.73Å; G156-G158 PolarHBondContact O-N 3.05Å |
| 159 | R | 80.1 | Confident | 71.3 | Confident | 113 Ų | 113 | 76.5 Ų | 76.5 | 43% | 0.426 | 39% | 0.393 | S | S | . | . | trans | -69.7 | 134.5 | 176.8 | 179.5 | -177.9 | -87.6 | -127.5 | 7.6 | 111.4 | R112 S113 G156 M161 D174 | R112-R159 CarbonylContact C-O 3.45Å; R112-R159 WeakPolarHBondContact CA-O 3.44Å; S113-R159 PolarHBondContact N-O 2.59Å; G156-R159 VanDerWaalsContact O-CB 3.25Å; G156-R159 WeakPolarHBondContact O-CB 3.24Å; G156-R159 PolarHBondContact O-N 2.84Å; R159-M161 HydrophobicContact CB-CE 4.15Å; R159-M161 VanDerWaalsContact CD-CE 3.49Å; R159-M161 HydrophobicContact CG-CE 3.93Å; R159-M161 HydrophobicContact CG-CG 4.26Å; R159-D174 IonicContact NH1-OD2 2.68Å; R159-D174 PolarHBondContact NH1-OD2 2.93Å | ||
| 160 | E | 87.4 | Confident | 73.4 | Confident | 64 Ų | 64 | 67.9 Ų | 67.9 | 30% | 0.299 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 142.5 | 172.1 | -60.4 | -171.3 | 143.3 | 0 | 0 | 111 | W91 R112 P175 | W91-E160 HydrophobicContact CH2-CB 4.34Å; W91-E160 WeakPolarHBondContact CH2-OE2 3.25Å; W91-E160 VanDerWaalsContact CZ3-OE2 3.32Å; W91-E160 WeakPolarHBondContact CZ3-OE2 3.22Å; R112-E160 HydrophobicContact CB-CG 4.41Å; R112-E160 HydrophobicContact CG-CG 4.09Å; R112-E160 IonicContact CZ-OE1 3.88Å; R112-E160 IonicContact NE-OE1 2.62Å; R112-E160 PolarHBondContact NE-OE1 3.36Å; R112-E160 IonicContact NH2-OE1 2.81Å; R112-E160 PolarHBondContact NH2-OE1 3.06Å; E160-P175 WeakPolarHBondContact O-CD 3.48Å |
| 161 | M | 92.3 | Very high | 75.8 | Confident | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 156.8 | -170 | -62.4 | 180 | 177.8 | 0 | 0 | 110.7 | V111 W155 R159 L172 L181 | V111-M161 HydrophobicContact CG2-CB 4.14Å; V111-M161 PolarHBondContact N-O 3.46Å; V111-M161 PolarHBondContact O-N 2.88Å; W155-M161 HydrophobicContact CB-CE 4.27Å; W155-M161 HydrophobicContact CE3-CE 4.35Å; R159-M161 HydrophobicContact CB-CE 4.15Å; R159-M161 VanDerWaalsContact CD-CE 3.49Å; R159-M161 HydrophobicContact CG-CE 3.93Å; R159-M161 HydrophobicContact CG-CG 4.26Å; M161-L172 HydrophobicContact SD-CB 4.22Å; M161-L172 HydrophobicContact SD-CD1 3.91Å; M161-L172 HydrophobicContact SD-CG 4.46Å; M161-L181 HydrophobicContact CE-CD1 4.07Å; M161-L181 HydrophobicContact CG-CD1 4.12Å; M161-L181 HydrophobicContact SD-CD1 4.33Å |
| 162 | M | 90.6 | Very high | 77.9 | Confident | 46 Ų | 46 | 51.2 Ų | 51.2 | 23% | 0.227 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 111.6 | 168.6 | -70.5 | -63.8 | -73.5 | 0 | 0 | 109.5 | C108 A110 L172 L173 P175 | C108-M162 HydrophobicContact CB-CE 4.31Å; A110-M162 HydrophobicContact CB-SD 3.95Å; M162-L172 WeakPolarHBondContact O-CA 3.46Å; M162-L173 HydrophobicContact CB-CB 4.25Å; M162-L173 PolarHBondContact N-O 3.41Å; M162-L173 PolarHBondContact O-N 2.93Å; M162-P175 HydrophobicContact CG-CB 4.24Å |
| 163 | L | 94.6 | Very high | 80 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 113.6 | 173.2 | -172.6 | 160.7 | 0 | 0 | 0 | 108.6 | C108 F109 V111 L165 L170 L172 F202 I228 | C108-L163 CarbonylContact C-O 3.59Å; F109-L163 HydrophobicContact CB-CB 4.48Å; F109-L163 HydrophobicContact CD2-CD2 4.06Å; F109-L163 PolarHBondContact N-O 3.26Å; F109-L163 PolarHBondContact O-N 3.36Å; V111-L163 HydrophobicContact CG1-CB 4.08Å; V111-L163 HydrophobicContact CG1-CD1 4.46Å; V111-L163 HydrophobicContact CG2-CB 3.85Å; L163-L165 HydrophobicContact CD2-CD1 4.5Å; L163-L165 HydrophobicContact CD2-CD2 3.84Å; L163-L165 HydrophobicContact CD2-CG 3.75Å; L163-L170 HydrophobicContact CD1-CD1 4.33Å; L163-L170 HydrophobicContact CD1-CD2 4.32Å; L163-L170 HydrophobicContact CD1-CG 4.45Å; L163-L170 HydrophobicContact CD2-CD1 4.46Å; L163-L170 HydrophobicContact CD2-CG 4.15Å; L163-L170 HydrophobicContact CG-CD2 4.11Å; L163-L170 HydrophobicContact CG-CG 4.18Å; L163-L172 HydrophobicContact CB-CD2 3.87Å; L163-L172 HydrophobicContact CD1-CD2 4.09Å; L163-L172 HydrophobicContact CG-CD2 3.9Å; L163-F202 HydrophobicContact CD1-CD1 4.41Å; L163-F202 HydrophobicContact CD1-CE1 4.37Å; L163-I228 HydrophobicContact CD1-CD1 4.39Å; L163-I228 HydrophobicContact CD1-CG2 4.48Å; L163-I228 HydrophobicContact CD2-CG2 4.13Å |
| 164 | V | 92.6 | Very high | 81.9 | Confident | 18 Ų | 18 | 47.7 Ų | 47.7 | 11% | 0.109 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 121.6 | 180 | -177.6 | 0 | 0 | 0 | 0 | 109.3 | K166 T171 L173 | V164-K166 HydrophobicContact CG1-CB 4.34Å; V164-T171 PolarHBondContact N-O 3.24Å; V164-T171 PolarHBondContact O-N 3.39Å; V164-L173 HydrophobicContact CG2-CD1 3.73Å; V164-L173 HydrophobicContact CG2-CG 4.11Å |
| 165 | L | 92.2 | Very high | 83.5 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 115.4 | 171.4 | -67.1 | -175.6 | 0 | 0 | 0 | 108.6 | K107 F109 L163 L170 I228 A231 L232 M235 | K107-L165 HydrophobicContact CB-CB 4.38Å; K107-L165 PolarHBondContact N-O 2.94Å; K107-L165 PolarHBondContact O-N 3.21Å; F109-L165 HydrophobicContact CE2-CD1 3.91Å; F109-L165 HydrophobicContact CE2-CG 4.27Å; L163-L165 HydrophobicContact CD2-CD1 4.5Å; L163-L165 HydrophobicContact CD2-CD2 3.84Å; L163-L165 HydrophobicContact CD2-CG 3.75Å; L165-L170 HydrophobicContact CD2-CB 3.74Å; L165-L170 HydrophobicContact CD2-CD1 4Å; L165-L170 HydrophobicContact CD2-CG 3.7Å; L165-I228 HydrophobicContact CD1-CG2 4.23Å; L165-A231 HydrophobicContact CD1-CB 3.55Å; L165-L232 HydrophobicContact CD1-CD2 4.25Å; L165-L232 HydrophobicContact CD1-CG 3.87Å; L165-L232 HydrophobicContact CD2-CD2 3.61Å; L165-L232 HydrophobicContact CD2-CG 4.02Å; L165-M235 HydrophobicContact CB-CE 4.37Å; L165-M235 HydrophobicContact CB-SD 3.64Å; L165-M235 HydrophobicContact CD1-SD 4.33Å; L165-M235 HydrophobicContact CG-SD 4.42Å |
| 166 | K | 86.9 | Confident | 84.7 | Confident | 65 Ų | 65 | 49.1 Ų | 49.1 | 28% | 0.283 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 132 | -177.4 | -176.5 | 166 | -173.6 | 136.6 | 0 | 111.6 | D103 S106 V164 D168 T169 | D103-K166 WeakPolarHBondContact OD2-CE 3.35Å; D103-K166 IonicContact OD2-NZ 2.89Å; D103-K166 PolarHBondContact OD2-NZ 3.21Å; S106-K166 WeakPolarHBondContact OG-CD 3.49Å; S106-K166 WeakPolarHBondContact OG-CE 3.1Å; S106-K166 PolarHBondContact OG-NZ 2.82Å; S106-K166 VanDerWaalsContact OG-NZ 3.1Å; V164-K166 HydrophobicContact CG1-CB 4.34Å; K166-D168 PolarHBondContact O-N 3.03Å; K166-T169 PolarHBondContact N-O 2.84Å; K166-T169 PolarHBondContact O-N 3.49Å; K166-T169 PolarHBondContact O-OG1 3.14Å; K166-T169 VanDerWaalsContact O-OG1 3.04Å |
| 167 | K | 81.4 | Confident | 86.1 | Confident | 152 Ų | 152 | 52.2 Ų | 52.2 | 66% | 0.661 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | -93.5 | -177.9 | -63.1 | 175.5 | 178.6 | -178.1 | 0 | 113 | M235 | K167-M235 VanDerWaalsContact C-CE 3.48Å; K167-M235 WeakPolarHBondContact O-CE 3.41Å |
| 168 | D | 84.1 | Confident | 86.9 | Confident | 85 Ų | 85 | 51.1 Ų | 51.1 | 46% | 0.455 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.6 | 9.4 | -175.8 | 61.9 | -32.9 | 0 | 0 | 0 | 112.7 | K166 I186 M239 | K166-D168 PolarHBondContact O-N 3.03Å; D168-I186 WeakPolarHBondContact O-CB 3.43Å; D168-I186 WeakPolarHBondContact O-CG1 3.48Å; D168-I186 PolarHBondContact O-N 3.04Å; D168-M239 HydrophobicContact CB-SD 3.68Å |
| 169 | T | 89.3 | Confident | 87.5 | Confident | 32 Ų | 32 | 52 Ų | 52 | 20% | 0.196 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 145.9 | -174.3 | 57.5 | 0 | 0 | 0 | 0 | 113.3 | K166 | K166-T169 PolarHBondContact N-O 2.84Å; K166-T169 PolarHBondContact O-N 3.49Å; K166-T169 PolarHBondContact O-OG1 3.14Å; K166-T169 VanDerWaalsContact O-OG1 3.04Å |
| 170 | L | 93.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 116.8 | 163.9 | -179 | 166.3 | 0 | 0 | 0 | 107.2 | L163 L165 L172 Q184 I186 I189 F204 L232 | L163-L170 HydrophobicContact CD1-CD1 4.33Å; L163-L170 HydrophobicContact CD1-CD2 4.32Å; L163-L170 HydrophobicContact CD1-CG 4.45Å; L163-L170 HydrophobicContact CD2-CD1 4.46Å; L163-L170 HydrophobicContact CD2-CG 4.15Å; L163-L170 HydrophobicContact CG-CD2 4.11Å; L163-L170 HydrophobicContact CG-CG 4.18Å; L165-L170 HydrophobicContact CD2-CB 3.74Å; L165-L170 HydrophobicContact CD2-CD1 4Å; L165-L170 HydrophobicContact CD2-CG 3.7Å; L170-L172 HydrophobicContact CD2-CD2 4.2Å; L170-L172 HydrophobicContact CD2-CG 4.31Å; L170-Q184 HydrophobicContact CB-CB 4.42Å; L170-Q184 PolarHBondContact N-O 2.89Å; L170-Q184 PolarHBondContact O-N 2.76Å; L170-I186 HydrophobicContact CB-CG1 4.37Å; L170-I189 HydrophobicContact CD1-CD1 4.15Å; L170-F204 HydrophobicContact CD1-CD1 4.09Å; L170-F204 HydrophobicContact CD1-CE1 4.09Å; L170-F204 HydrophobicContact CD2-CE1 4.19Å; L170-L232 HydrophobicContact CD1-CD1 4.34Å; L170-L232 HydrophobicContact CD1-CD2 4.45Å |
| 171 | T | 92.1 | Very high | 87.6 | Confident | 22 Ų | 22 | 49.6 Ų | 49.6 | 14% | 0.135 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 134.1 | -179.6 | -50.9 | 0 | 0 | 0 | 0 | 109.7 | V164 L173 P180 H182 C183 | V164-T171 PolarHBondContact N-O 3.24Å; V164-T171 PolarHBondContact O-N 3.39Å; T171-L173 HydrophobicContact CG2-CD2 3.57Å; T171-L173 HydrophobicContact CG2-CG 4.42Å; T171-P180 HydrophobicContact CG2-CB 4.3Å; T171-H182 CarbonylContact C-O 3.56Å; T171-H182 VanDerWaalsContact CA-O 3.3Å; T171-H182 WeakPolarHBondContact CA-O 2.93Å; T171-H182 WeakPolarHBondContact CG2-O 3.04Å; T171-C183 HydrophobicContact CG2-CB 4.49Å |
| 172 | L | 92.1 | Very high | 87.2 | Confident | 6 Ų | 6 | 51.9 Ų | 51.9 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 122.2 | 167.7 | -58.6 | 175.9 | 0 | 0 | 0 | 107.8 | M161 M162 L163 L170 L181 H182 F219 | M161-L172 HydrophobicContact SD-CB 4.22Å; M161-L172 HydrophobicContact SD-CD1 3.91Å; M161-L172 HydrophobicContact SD-CG 4.46Å; M162-L172 WeakPolarHBondContact O-CA 3.46Å; L163-L172 HydrophobicContact CB-CD2 3.87Å; L163-L172 HydrophobicContact CD1-CD2 4.09Å; L163-L172 HydrophobicContact CG-CD2 3.9Å; L170-L172 HydrophobicContact CD2-CD2 4.2Å; L170-L172 HydrophobicContact CD2-CG 4.31Å; L172-L181 HydrophobicContact CB-CB 4.46Å; L172-L181 WeakPolarHBondContact O-CA 3.28Å; L172-L181 WeakPolarHBondContact O-CB 3.44Å; L172-L181 PolarHBondContact O-N 3.04Å; L172-H182 HydrophobicContact CB-CB 4.23Å; L172-H182 HydrophobicContact CD1-CB 4.16Å; L172-H182 HydrophobicContact CG-CB 4.42Å; L172-H182 PolarHBondContact N-O 2.96Å; L172-H182 PolarHBondContact O-N 3.17Å; L172-F219 HydrophobicContact CD1-CE1 3.76Å; L172-F219 HydrophobicContact CD1-CZ 3.78Å; L172-F219 HydrophobicContact CD2-CE1 4.09Å; L172-F219 HydrophobicContact CD2-CZ 4.37Å |
| 173 | L | 89.3 | Confident | 87.1 | Confident | 33 Ų | 33 | 52.7 Ų | 52.7 | 17% | 0.173 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 152.5 | 174.8 | -50.6 | -178.7 | 0 | 0 | 0 | 110.3 | M162 V164 T171 H178 T179 P180 | M162-L173 HydrophobicContact CB-CB 4.25Å; M162-L173 PolarHBondContact N-O 3.41Å; M162-L173 PolarHBondContact O-N 2.93Å; V164-L173 HydrophobicContact CG2-CD1 3.73Å; V164-L173 HydrophobicContact CG2-CG 4.11Å; T171-L173 HydrophobicContact CG2-CD2 3.57Å; T171-L173 HydrophobicContact CG2-CG 4.42Å; L173-H178 HydrophobicContact CD1-CB 4.38Å; L173-T179 CarbonylContact C-O 3.57Å; L173-T179 VanDerWaalsContact CA-O 3.3Å; L173-T179 WeakPolarHBondContact CA-O 3.42Å; L173-P180 HydrophobicContact CD2-CB 4.03Å |
| 174 | D | 86.1 | Confident | 86.8 | Confident | 23 Ų | 23 | 53.3 Ų | 53.3 | 12% | 0.123 | 29% | 0.285 | C | S | . | . | trans | -65.2 | 138.6 | 164.6 | -162.3 | -80.5 | 0 | 0 | 0 | 109.8 | R159 L176 D177 H178 T179 L181 | R159-D174 IonicContact NH1-OD2 2.68Å; R159-D174 PolarHBondContact NH1-OD2 2.93Å; D174-L176 VanDerWaalsContact C-N 3.28Å; D174-L176 PolarHBondContact O-N 2.97Å; D174-L176 PolarHBondContact OD1-N 3.44Å; D174-D177 WeakPolarHBondContact CB-OD1 3.46Å; D174-H178 VanDerWaalsContact O-CA 3.29Å; D174-H178 WeakPolarHBondContact O-CA 3.44Å; D174-H178 PolarHBondContact O-N 3.41Å; D174-T179 PolarHBondContact N-O 3.25Å; D174-L181 HydrophobicContact CB-CD1 4.32Å; D174-L181 HydrophobicContact CB-CD2 4.13Å; D174-L181 HydrophobicContact CB-CG 4.32Å | ||
| 175 | P | 83.5 | Confident | 86.3 | Confident | 36 Ų | 36 | 54 Ų | 54 | 23% | 0.234 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -17.1 | -177.9 | 29.7 | -35.4 | 0 | 0 | 0 | 113.8 | E160 M162 | E160-P175 WeakPolarHBondContact O-CD 3.48Å; M162-P175 HydrophobicContact CG-CB 4.24Å |
| 176 | L | 82.3 | Confident | 86.1 | Confident | 157 Ų | 157 | 54.1 Ų | 54.1 | 82% | 0.822 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | -42.5 | -174.6 | -61.9 | 176.9 | 0 | 0 | 0 | 113.7 | D174 | D174-L176 VanDerWaalsContact C-N 3.28Å; D174-L176 PolarHBondContact O-N 2.97Å; D174-L176 PolarHBondContact OD1-N 3.44Å |
| 177 | D | 84.6 | Confident | 85.8 | Confident | 98 Ų | 98 | 56.5 Ų | 56.5 | 52% | 0.524 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | 2.4 | -175.5 | 70.3 | 10.7 | 0 | 0 | 0 | 114 | D174 T179 | D174-D177 WeakPolarHBondContact CB-OD1 3.46Å; D177-T179 HydrophobicContact CB-CG2 4.44Å; D177-T179 VanDerWaalsContact CG-CG2 3.45Å; D177-T179 PolarHBondContact O-N 3Å; D177-T179 VanDerWaalsContact O-N 3.1Å; D177-T179 VanDerWaalsContact OD1-CB 3.23Å; D177-T179 WeakPolarHBondContact OD1-CB 3.44Å; D177-T179 WeakPolarHBondContact OD1-CG2 3.39Å; D177-T179 PolarHBondContact OD1-N 3.04Å; D177-T179 PolarHBondContact OD1-OG1 2.81Å; D177-T179 WeakPolarHBondContact OD2-CG2 3.22Å |
| 178 | H | 80.6 | Confident | 85.9 | Confident | 81 Ų | 81 | 53.5 Ų | 53.5 | 38% | 0.375 | 30% | 0.296 | S | S | . | . | trans | 55.5 | 20.2 | -177.4 | -55.6 | -52.6 | 0 | 0 | 0 | 114.7 | L173 D174 | L173-H178 HydrophobicContact CD1-CB 4.38Å; D174-H178 VanDerWaalsContact O-CA 3.29Å; D174-H178 WeakPolarHBondContact O-CA 3.44Å; D174-H178 PolarHBondContact O-N 3.41Å | ||
| 179 | T | 81.6 | Confident | 85.9 | Confident | 59 Ų | 59 | 50.1 Ų | 50.1 | 36% | 0.362 | 28% | 0.278 | S | S | . | . | trans | -65 | 136.3 | 176.6 | 53.1 | 0 | 0 | 0 | 0 | 110.9 | L173 D174 D177 L181 | L173-T179 CarbonylContact C-O 3.57Å; L173-T179 VanDerWaalsContact CA-O 3.3Å; L173-T179 WeakPolarHBondContact CA-O 3.42Å; D174-T179 PolarHBondContact N-O 3.25Å; D177-T179 HydrophobicContact CB-CG2 4.44Å; D177-T179 VanDerWaalsContact CG-CG2 3.45Å; D177-T179 PolarHBondContact O-N 3Å; D177-T179 VanDerWaalsContact O-N 3.1Å; D177-T179 VanDerWaalsContact OD1-CB 3.23Å; D177-T179 WeakPolarHBondContact OD1-CB 3.44Å; D177-T179 WeakPolarHBondContact OD1-CG2 3.39Å; D177-T179 PolarHBondContact OD1-N 3.04Å; D177-T179 PolarHBondContact OD1-OG1 2.81Å; D177-T179 WeakPolarHBondContact OD2-CG2 3.22Å; T179-L181 PolarHBondContact O-N 3.48Å; T179-L181 VanDerWaalsContact O-N 3.09Å | ||
| 180 | P | 84.7 | Confident | 85.7 | Confident | 98 Ų | 98 | 55.5 Ų | 55.5 | 64% | 0.636 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 108.3 | 178.6 | 28.3 | -33.3 | 0 | 0 | 0 | 110.3 | T171 L173 | T171-P180 HydrophobicContact CG2-CB 4.3Å; L173-P180 HydrophobicContact CD2-CB 4.03Å |
| 181 | L | 85 | Confident | 85.4 | Confident | 29 Ų | 29 | 56.7 Ų | 56.7 | 15% | 0.152 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | -51.7 | 175.4 | -58 | -174 | 0 | 0 | 0 | 109.8 | W155 M161 L172 D174 T179 | W155-L181 HydrophobicContact CE3-CB 4.08Å; W155-L181 HydrophobicContact CH2-CB 3.8Å; W155-L181 HydrophobicContact CH2-CD2 4.46Å; W155-L181 WeakPolarHBondContact CH2-O 3.3Å; W155-L181 WeakPolarHBondContact CZ2-O 3.12Å; W155-L181 HydrophobicContact CZ3-CB 3.54Å; W155-L181 HydrophobicContact CZ3-CD1 4.33Å; W155-L181 HydrophobicContact CZ3-CD2 3.97Å; W155-L181 HydrophobicContact CZ3-CG 4.14Å; M161-L181 HydrophobicContact CE-CD1 4.07Å; M161-L181 HydrophobicContact CG-CD1 4.12Å; M161-L181 HydrophobicContact SD-CD1 4.33Å; L172-L181 HydrophobicContact CB-CB 4.46Å; L172-L181 WeakPolarHBondContact O-CA 3.28Å; L172-L181 WeakPolarHBondContact O-CB 3.44Å; L172-L181 PolarHBondContact O-N 3.04Å; D174-L181 HydrophobicContact CB-CD1 4.32Å; D174-L181 HydrophobicContact CB-CD2 4.13Å; D174-L181 HydrophobicContact CB-CG 4.32Å; T179-L181 PolarHBondContact O-N 3.48Å; T179-L181 VanDerWaalsContact O-N 3.09Å |
| 182 | H | 84.6 | Confident | 85.5 | Confident | 50 Ų | 50 | 59.1 Ų | 59.1 | 23% | 0.231 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 144.8 | -177.5 | -178 | 73.7 | 0 | 0 | 0 | 111.3 | T171 L172 | T171-H182 CarbonylContact C-O 3.56Å; T171-H182 VanDerWaalsContact CA-O 3.3Å; T171-H182 WeakPolarHBondContact CA-O 2.93Å; T171-H182 WeakPolarHBondContact CG2-O 3.04Å; L172-H182 HydrophobicContact CB-CB 4.23Å; L172-H182 HydrophobicContact CD1-CB 4.16Å; L172-H182 HydrophobicContact CG-CB 4.42Å; L172-H182 PolarHBondContact N-O 2.96Å; L172-H182 PolarHBondContact O-N 3.17Å |
| 183 | C | 86.9 | Confident | 85.3 | Confident | 63 Ų | 63 | 59.7 Ų | 59.7 | 43% | 0.426 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 116.6 | 175.9 | -178.1 | 0 | 0 | 0 | 0 | 110 | T171 | T171-C183 HydrophobicContact CG2-CB 4.49Å |
| 184 | Q | 88.1 | Confident | 85.2 | Confident | 12 Ų | 12 | 60.6 Ų | 60.6 | 6% | 0.056 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 112 | -177.7 | 177.3 | 56.3 | 55.9 | 0 | 0 | 109.3 | L170 I186 I189 F204 A206 | L170-Q184 HydrophobicContact CB-CB 4.42Å; L170-Q184 PolarHBondContact N-O 2.89Å; L170-Q184 PolarHBondContact O-N 2.76Å; Q184-I186 PolarHBondContact O-N 2.77Å; Q184-I189 HydrophobicContact CG-CD1 4.05Å; Q184-I189 HydrophobicContact CG-CG1 3.7Å; Q184-F204 HydrophobicContact CG-CE2 3.91Å; Q184-F204 HydrophobicContact CG-CZ 4.34Å; Q184-A206 HydrophobicContact CG-CB 4.4Å; Q184-A206 VanDerWaalsContact OE1-CB 3.32Å |
| 185 | P | 83.9 | Confident | 84.9 | Confident | 32 Ų | 32 | 59.8 Ų | 59.8 | 21% | 0.208 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 129.6 | 169.4 | -23 | 33.9 | 0 | 0 | 0 | 110.1 | I187 N188 | P185-I187 HydrophobicContact CB-CG2 4.09Å; P185-I187 PolarHBondContact O-N 2.8Å; P185-N188 HydrophobicContact CB-CB 4.42Å; P185-N188 PolarHBondContact O-N 3.42Å |
| 186 | I | 86.1 | Confident | 84.1 | Confident | 3 Ų | 3 | 62.5 Ų | 62.5 | 2% | 0.015 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -65.9 | -33.1 | -174.9 | -64.1 | 169.8 | 0 | 0 | 0 | 110.6 | D168 L170 Q184 N188 I189 L232 M235 C236 M239 | D168-I186 WeakPolarHBondContact O-CB 3.43Å; D168-I186 WeakPolarHBondContact O-CG1 3.48Å; D168-I186 PolarHBondContact O-N 3.04Å; L170-I186 HydrophobicContact CB-CG1 4.37Å; Q184-I186 PolarHBondContact O-N 2.77Å; I186-N188 PolarHBondContact O-N 2.98Å; I186-N188 VanDerWaalsContact O-N 3.16Å; I186-I189 HydrophobicContact CG1-CD1 4.49Å; I186-I189 WeakPolarHBondContact O-CB 3.3Å; I186-I189 PolarHBondContact O-N 2.9Å; I186-L232 HydrophobicContact CD1-CD2 3.89Å; I186-L232 HydrophobicContact CG1-CD2 3.94Å; I186-L232 HydrophobicContact CG2-CD2 4.02Å; I186-M235 HydrophobicContact CD1-CB 4.23Å; I186-M235 HydrophobicContact CD1-CE 3.37Å; I186-M235 HydrophobicContact CD1-SD 3.89Å; I186-C236 WeakPolarHBondContact CG2-SG 3.49Å; I186-M239 HydrophobicContact CB-CE 3.73Å; I186-M239 HydrophobicContact CG2-CE 3.49Å; I186-M239 VanDerWaalsContact CG2-CE 3.49Å |
| 187 | I | 81 | Confident | 83.3 | Confident | 115 Ų | 115 | 60.3 Ų | 60.3 | 59% | 0.59 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -59.5 | -22.5 | 173.5 | -170 | 165.7 | 0 | 0 | 0 | 113.9 | P185 | P185-I187 HydrophobicContact CB-CG2 4.09Å; P185-I187 PolarHBondContact O-N 2.8Å |
| 188 | N | 83.9 | Confident | 82.5 | Confident | 90 Ų | 90 | 59.1 Ų | 59.1 | 48% | 0.481 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -96.2 | 1.7 | 178.5 | -69.3 | 5.1 | 0 | 0 | 0 | 113.1 | P185 I186 R190 | P185-N188 HydrophobicContact CB-CB 4.42Å; P185-N188 PolarHBondContact O-N 3.42Å; I186-N188 PolarHBondContact O-N 2.98Å; I186-N188 VanDerWaalsContact O-N 3.16Å; N188-R190 PolarHBondContact O-N 3.15Å |
| 189 | I | 85.3 | Confident | 82.4 | Confident | 14 Ų | 14 | 56.8 Ų | 56.8 | 7% | 0.072 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 116.9 | 171.7 | -60.5 | 176.6 | 0 | 0 | 0 | 108.2 | L170 Q184 I186 V191 W192 F204 L232 | L170-I189 HydrophobicContact CD1-CD1 4.15Å; Q184-I189 HydrophobicContact CG-CD1 4.05Å; Q184-I189 HydrophobicContact CG-CG1 3.7Å; I186-I189 HydrophobicContact CG1-CD1 4.49Å; I186-I189 WeakPolarHBondContact O-CB 3.3Å; I186-I189 PolarHBondContact O-N 2.9Å; I189-V191 WeakPolarHBondContact CG2-O 3.44Å; I189-W192 HydrophobicContact CG2-CE3 4.09Å; I189-F204 HydrophobicContact CD1-CD2 4.43Å; I189-F204 HydrophobicContact CG1-CD2 4.27Å; I189-F204 HydrophobicContact CG2-CB 3.94Å; I189-F204 HydrophobicContact CG2-CD2 4.42Å; I189-L232 HydrophobicContact CD1-CD2 4.4Å |
| 190 | R | 83.6 | Confident | 82.7 | Confident | 145 Ų | 145 | 60.3 Ų | 60.3 | 55% | 0.547 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | -46.4 | -178.7 | -59.6 | -69.9 | -100.9 | -166.2 | -6 | 111.6 | E121 L124 N188 V205 L214 | E121-R190 IonicContact OE1-CZ 3.8Å; E121-R190 IonicContact OE1-NE 3.13Å; E121-R190 IonicContact OE1-NH2 2.58Å; E121-R190 PolarHBondContact OE1-NH2 2.88Å; E121-R190 IonicContact OE2-CZ 3.17Å; E121-R190 IonicContact OE2-NE 2.82Å; E121-R190 PolarHBondContact OE2-NE 2.88Å; E121-R190 IonicContact OE2-NH2 3.44Å; E121-R190 PolarHBondContact OE2-NH2 3.09Å; L124-R190 HydrophobicContact CD1-CB 4.14Å; L124-R190 HydrophobicContact CD1-CG 4.48Å; N188-R190 PolarHBondContact O-N 3.15Å; R190-V205 PolarHBondContact N-O 3.18Å; R190-L214 HydrophobicContact CG-CD2 4.17Å |
| 191 | V | 88.9 | Confident | 83.1 | Confident | 24 Ų | 24 | 55.7 Ų | 55.7 | 15% | 0.145 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 146.8 | -174.8 | -174.2 | 0 | 0 | 0 | 0 | 108.9 | L124 V133 I189 F204 V205 | L124-V191 HydrophobicContact CB-CG2 4.38Å; L124-V191 HydrophobicContact CD2-CG2 4.16Å; V133-V191 HydrophobicContact CG2-CB 4.42Å; V133-V191 HydrophobicContact CG2-CG1 3.88Å; I189-V191 WeakPolarHBondContact CG2-O 3.44Å; V191-F204 CarbonylContact O-C 3.53Å; V191-F204 WeakPolarHBondContact O-CA 3.32Å; V191-V205 HydrophobicContact CB-CB 4.41Å; V191-V205 HydrophobicContact CB-CG2 4.2Å; V191-V205 PolarHBondContact O-N 3Å |
| 192 | W | 92.3 | Very high | 83.5 | Confident | 74 Ų | 74 | 54.3 Ų | 54.3 | 28% | 0.28 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 158.8 | 163.1 | 66.7 | 83.3 | 0 | 0 | 0 | 111.3 | I189 F202 A203 F204 L232 H233 C236 | I189-W192 HydrophobicContact CG2-CE3 4.09Å; W192-F202 HydrophobicContact CB-CE2 4.01Å; W192-F202 HydrophobicContact CB-CZ 4.1Å; W192-F202 HydrophobicContact CG-CE2 4.38Å; W192-A203 CarbonylContact C-O 3.26Å; W192-A203 WeakPolarHBondContact CA-O 3.45Å; W192-A203 WeakPolarHBondContact CB-O 3.19Å; W192-F204 HydrophobicContact CB-CB 4.16Å; W192-L232 HydrophobicContact CG-CD1 4.49Å; W192-L232 HydrophobicContact CZ2-CB 4.48Å; W192-H233 HydrophobicContact CZ2-CB 4.07Å; W192-C236 HydrophobicContact CH2-CB 4.1Å |
| 193 | G | 88.2 | Confident | 83.9 | Confident | 18 Ų | 18 | 52 Ų | 52 | 19% | 0.186 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 166.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | F202 A203 | G193-F202 WeakPolarHBondContact O-CD2 3.49Å; G193-A203 PolarHBondContact N-O 2.88Å; G193-A203 PolarHBondContact O-N 3.38Å |
| 194 | V | 87.7 | Confident | 84.2 | Confident | 51 Ų | 51 | 49 Ų | 49 | 31% | 0.309 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 134.1 | 177.4 | 175.7 | 0 | 0 | 0 | 0 | 108.6 | C196 D201 F202 A225 A229 | V194-C196 PolarHBondContact O-N 3.48Å; V194-D201 CarbonylContact C-O 3.51Å; V194-D201 WeakPolarHBondContact CA-O 3.49Å; V194-F202 HydrophobicContact CG2-CD2 4.45Å; V194-A225 HydrophobicContact CG1-CB 3.76Å; V194-A225 HydrophobicContact CG2-CB 4.15Å; V194-A229 HydrophobicContact CG2-CB 3.68Å |
| 195 | G | 80.3 | Confident | 84.4 | Confident | 6 Ų | 6 | 48.4 Ų | 48.4 | 6% | 0.062 | 26% | 0.255 | C | S | . | . | trans | -64.3 | 119.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | N197 G199 D201 | G195-N197 VanDerWaalsContact C-N 3.27Å; G195-N197 PolarHBondContact O-N 2.8Å; G195-G199 WeakPolarHBondContact O-CA 3.44Å; G195-G199 PolarHBondContact O-N 3.06Å; G195-D201 PolarHBondContact N-O 2.94Å | ||
| 196 | C | 66.9 | Low | 84.6 | Confident | 94 Ų | 94 | 47 Ų | 47 | 64% | 0.635 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -27.9 | -179.9 | 51.6 | 0 | 0 | 0 | 0 | 114 | V194 | V194-C196 PolarHBondContact O-N 3.48Š|
| 197 | N | 65.5 | Low | 84.5 | Confident | 111 Ų | 111 | 48.7 Ų | 48.7 | 59% | 0.594 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -31.8 | -172.2 | -64.8 | -7.2 | 0 | 0 | 0 | 113.9 | G195 | G195-N197 VanDerWaalsContact C-N 3.27Å; G195-N197 PolarHBondContact O-N 2.8Å |
| 198 | N | 68.3 | Low | 84.4 | Confident | 73 Ų | 73 | 45.1 Ų | 45.1 | 39% | 0.39 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -131.8 | -12.3 | -175.3 | 66.2 | 22.3 | 0 | 0 | 0 | 114.7 | R200 D201 | N198-R200 PolarHBondContact O-N 2.81Å; N198-R200 PolarHBondContact OD1-N 3.17Å; N198-D201 PolarHBondContact ND2-OD2 2.99Å; N198-D201 PolarHBondContact OD1-N 3.4Å; N198-D201 VanDerWaalsContact OD1-N 3.08Å |
| 199 | G | 78.4 | Confident | 83.2 | Confident | 32 Ų | 32 | 48.8 Ų | 48.8 | 33% | 0.33 | 26% | 0.258 | S | S | . | . | S | Bend | trans | 62 | 8.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | G195 A225 | G195-G199 WeakPolarHBondContact O-CA 3.44Å; G195-G199 PolarHBondContact O-N 3.06Å; G199-A225 PolarHBondContact O-N 2.99Å |
| 200 | R | 87.7 | Confident | 82.1 | Confident | 133 Ų | 133 | 55.5 Ų | 55.5 | 50% | 0.502 | 29% | 0.294 | S | S | . | . | trans | -113 | -23.6 | -176.5 | -72.3 | -176.2 | -177.4 | -100.5 | 5.5 | 113.3 | N198 C221 N222 | N198-R200 PolarHBondContact O-N 2.81Å; N198-R200 PolarHBondContact OD1-N 3.17Å; R200-C221 VanDerWaalsContact O-CB 3.24Å; R200-C221 WeakPolarHBondContact O-CB 3.38Å; R200-C221 PolarHBondContact O-N 2.68Å; R200-C221 PolarHBondContact O-SG 3.46Å; R200-N222 PolarHBondContact NH1-O 3.17Å | ||
| 201 | D | 91.4 | Very high | 81.1 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 122.8 | 175.8 | -61.1 | -29.1 | 0 | 0 | 0 | 109.7 | I137 S141 V194 G195 N198 F219 R220 | I137-D201 HydrophobicContact CG2-CB 3.76Å; S141-D201 VanDerWaalsContact CB-OD2 3.3Å; S141-D201 WeakPolarHBondContact CB-OD2 3.42Å; V194-D201 CarbonylContact C-O 3.51Å; V194-D201 WeakPolarHBondContact CA-O 3.49Å; G195-D201 PolarHBondContact N-O 2.94Å; N198-D201 PolarHBondContact ND2-OD2 2.99Å; N198-D201 PolarHBondContact OD1-N 3.4Å; N198-D201 VanDerWaalsContact OD1-N 3.08Å; D201-F219 CarbonylContact C-O 3.57Å; D201-F219 WeakPolarHBondContact CA-O 3.43Å; D201-R220 WeakPolarHBondContact OD1-CB 3.01Å; D201-R220 WeakPolarHBondContact OD1-CG 3.39Å; D201-R220 IonicContact OD1-CZ 3.56Å; D201-R220 IonicContact OD1-NE 2.81Å; D201-R220 PolarHBondContact OD1-NE 2.91Å; D201-R220 IonicContact OD1-NH2 2.73Å; D201-R220 PolarHBondContact OD1-NH2 3.34Å; D201-R220 IonicContact OD2-CZ 3.48Å; D201-R220 IonicContact OD2-NE 2.8Å; D201-R220 IonicContact OD2-NH2 2.84Å; D201-R220 PolarHBondContact OD2-NH2 2.87Å |
| 202 | F | 93.4 | Very high | 80.1 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 144.3 | 174.5 | 172.6 | -107.9 | 0 | 0 | 0 | 109.2 | L163 W192 G193 V194 F204 F219 C221 A225 I228 A229 L232 | L163-F202 HydrophobicContact CD1-CD1 4.41Å; L163-F202 HydrophobicContact CD1-CE1 4.37Å; W192-F202 HydrophobicContact CB-CE2 4.01Å; W192-F202 HydrophobicContact CB-CZ 4.1Å; W192-F202 HydrophobicContact CG-CE2 4.38Å; G193-F202 WeakPolarHBondContact O-CD2 3.49Å; V194-F202 HydrophobicContact CG2-CD2 4.45Å; F202-F204 HydrophobicContact CE1-CB 4.4Å; F202-F204 HydrophobicContact CE1-CD1 4.01Å; F202-F204 HydrophobicContact CZ-CB 4.23Å; F202-F219 HydrophobicContact CD1-CD2 4.28Å; F202-F219 PolarHBondContact N-O 3.44Å; F202-F219 PolarHBondContact O-N 3.35Å; F202-C221 VanDerWaalsContact CB-SG 3.57Å; F202-A225 HydrophobicContact CB-CB 3.77Å; F202-I228 HydrophobicContact CD1-CD1 4.47Å; F202-I228 HydrophobicContact CD1-CG2 4.02Å; F202-I228 HydrophobicContact CD2-CB 4.21Å; F202-I228 HydrophobicContact CD2-CG2 4.18Å; F202-I228 HydrophobicContact CE1-CG2 3.88Å; F202-I228 HydrophobicContact CE2-CB 4.45Å; F202-I228 HydrophobicContact CE2-CG2 4.05Å; F202-I228 HydrophobicContact CG-CB 4.32Å; F202-I228 HydrophobicContact CG-CD1 4.47Å; F202-I228 HydrophobicContact CG-CG2 4.19Å; F202-I228 HydrophobicContact CZ-CG2 3.92Å; F202-A229 HydrophobicContact CE2-CB 4.39Å; F202-L232 HydrophobicContact CE1-CD1 4.27Å; F202-L232 HydrophobicContact CE2-CD1 3.96Å; F202-L232 HydrophobicContact CZ-CD1 3.36Å |
| 203 | A | 93.8 | Very high | 79.6 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 150.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V133 I137 W192 G193 H217 V218 | V133-A203 HydrophobicContact CG1-CB 3.85Å; I137-A203 HydrophobicContact CD1-CB 3.76Å; I137-A203 HydrophobicContact CG1-CB 3.66Å; W192-A203 CarbonylContact C-O 3.26Å; W192-A203 WeakPolarHBondContact CA-O 3.45Å; W192-A203 WeakPolarHBondContact CB-O 3.19Å; G193-A203 PolarHBondContact N-O 2.88Å; G193-A203 PolarHBondContact O-N 3.38Å; A203-H217 WeakPolarHBondContact CA-O 3.41Å; A203-H217 WeakPolarHBondContact CB-O 3.22Å; A203-V218 HydrophobicContact CB-CB 4.48Å; A203-V218 HydrophobicContact CB-CG2 3.9Å |
| 204 | F | 93.9 | Very high | 79.4 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 0% | 0.004 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 154.3 | 168.8 | 75.8 | -97.7 | 0 | 0 | 0 | 111.2 | L170 Q184 I189 V191 W192 F202 A206 C216 H217 F219 | L170-F204 HydrophobicContact CD1-CD1 4.09Å; L170-F204 HydrophobicContact CD1-CE1 4.09Å; L170-F204 HydrophobicContact CD2-CE1 4.19Å; Q184-F204 HydrophobicContact CG-CE2 3.91Å; Q184-F204 HydrophobicContact CG-CZ 4.34Å; I189-F204 HydrophobicContact CD1-CD2 4.43Å; I189-F204 HydrophobicContact CG1-CD2 4.27Å; I189-F204 HydrophobicContact CG2-CB 3.94Å; I189-F204 HydrophobicContact CG2-CD2 4.42Å; V191-F204 CarbonylContact O-C 3.53Å; V191-F204 WeakPolarHBondContact O-CA 3.32Å; W192-F204 HydrophobicContact CB-CB 4.16Å; F202-F204 HydrophobicContact CE1-CB 4.4Å; F202-F204 HydrophobicContact CE1-CD1 4.01Å; F202-F204 HydrophobicContact CZ-CB 4.23Å; F204-A206 HydrophobicContact CD2-CB 4.15Å; F204-A206 HydrophobicContact CE2-CB 3.98Å; F204-C216 CarbonylContact O-C 3.59Å; F204-C216 WeakPolarHBondContact O-CA 3.34Å; F204-H217 HydrophobicContact CD1-CB 4.44Å; F204-H217 HydrophobicContact CE1-CB 4.12Å; F204-H217 HydrophobicContact CE2-CB 4.49Å; F204-H217 AromaticContact CE2-CD2 3.89Å; F204-H217 HydrophobicContact CZ-CB 4.13Å; F204-H217 PolarHBondContact N-O 2.83Å; F204-H217 PolarHBondContact O-N 2.81Å; F204-F219 AromaticContact CD1-CE2 3.84Å; F204-F219 HydrophobicContact CD1-CE2 3.84Å; F204-F219 HydrophobicContact CE1-CD2 4.48Å; F204-F219 AromaticContact CE1-CE2 3.47Å; F204-F219 HydrophobicContact CE1-CE2 3.47Å; F204-F219 VanDerWaalsContact CE1-CE2 3.47Å; F204-F219 AromaticContact CE1-CZ 3.99Å; F204-F219 HydrophobicContact CE1-CZ 3.99Å; F204-F219 HydrophobicContact CZ-CE2 4.45Å |
| 205 | V | 91.7 | Very high | 79.6 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 126 | 177.1 | -167.7 | 0 | 0 | 0 | 0 | 109.2 | L124 V133 R190 V191 L214 K215 C216 | L124-V205 HydrophobicContact CD1-CB 4.48Å; L124-V205 HydrophobicContact CD1-CG1 3.74Å; L124-V205 HydrophobicContact CD2-CB 4.48Å; L124-V205 HydrophobicContact CD2-CG1 4.16Å; L124-V205 HydrophobicContact CD2-CG2 4.15Å; V133-V205 HydrophobicContact CG2-CG2 3.71Å; R190-V205 PolarHBondContact N-O 3.18Å; V191-V205 HydrophobicContact CB-CB 4.41Å; V191-V205 HydrophobicContact CB-CG2 4.2Å; V191-V205 PolarHBondContact O-N 3Å; V205-L214 HydrophobicContact CG1-CB 4.16Å; V205-K215 WeakPolarHBondContact CA-O 3.5Å; V205-C216 HydrophobicContact CG2-CB 3.86Å |
| 206 | A | 89.3 | Confident | 80.2 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 2% | 0.017 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 156.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q184 F204 K215 | Q184-A206 HydrophobicContact CG-CB 4.4Å; Q184-A206 VanDerWaalsContact OE1-CB 3.32Å; F204-A206 HydrophobicContact CD2-CB 4.15Å; F204-A206 HydrophobicContact CE2-CB 3.98Å; A206-K215 PolarHBondContact N-O 2.7Å; A206-K215 VanDerWaalsContact N-O 3.15Å; A206-K215 PolarHBondContact O-N 3.16Å |
| 207 | G | 82.9 | Confident | 81.4 | Confident | 39 Ų | 39 | 49.7 Ų | 49.7 | 40% | 0.402 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 132 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 208 | D | 78.3 | Confident | 82.7 | Confident | 40 Ų | 40 | 44.4 Ų | 44.4 | 21% | 0.214 | 25% | 0.248 | C | C | . | . | trans | -75.8 | 126.1 | 174.2 | -167 | 66.7 | 0 | 0 | 0 | 110.8 | D210 S211 C212 V213 K215 | D208-D210 VanDerWaalsContact C-N 3.26Å; D208-D210 PolarHBondContact O-N 3.34Å; D208-S211 PolarHBondContact OD2-N 3.48Å; D208-S211 PolarHBondContact OD2-OG 3.19Å; D208-C212 PolarHBondContact O-N 3.2Å; D208-V213 HydrophobicContact CB-CG2 4.3Å; D208-V213 WeakPolarHBondContact CB-O 3.29Å; D208-V213 PolarHBondContact N-O 2.86Å; D208-K215 HydrophobicContact CB-CD 3.96Å; D208-K215 HydrophobicContact CB-CG 4.32Å; D208-K215 WeakPolarHBondContact OD1-CE 3.39Å; D208-K215 IonicContact OD1-NZ 3.45Å; D208-K215 PolarHBondContact OD1-NZ 2.97Å; D208-K215 IonicContact OD2-NZ 3.61Å; D208-K215 PolarHBondContact OD2-NZ 3.09Å | ||
| 209 | K | 60.3 | Low | 83.9 | Confident | 167 Ų | 167 | 41.1 Ų | 41.1 | 73% | 0.726 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -33.3 | -173.7 | -66.2 | -175.4 | 180 | -179.3 | 0 | 113.4 | ||
| 210 | D | 61 | Low | 84.5 | Confident | 154 Ų | 154 | 43.7 Ų | 43.7 | 82% | 0.824 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -20.6 | -169.9 | -51.8 | -48.2 | 0 | 0 | 0 | 113.6 | D208 | D208-D210 VanDerWaalsContact C-N 3.26Å; D208-D210 PolarHBondContact O-N 3.34Å |
| 211 | S | 62.7 | Low | 84.7 | Confident | 58 Ų | 58 | 37.5 Ų | 37.5 | 41% | 0.406 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.6 | -2.5 | -175.2 | 64.6 | 0 | 0 | 0 | 0 | 115.2 | D208 V213 | D208-S211 PolarHBondContact OD2-N 3.48Å; D208-S211 PolarHBondContact OD2-OG 3.19Å; S211-V213 PolarHBondContact O-N 3.16Å; S211-V213 WeakPolarHBondContact OG-CG2 3.39Å |
| 212 | C | 68.8 | Low | 84.6 | Confident | 120 Ų | 120 | 41.5 Ų | 41.5 | 81% | 0.811 | 23% | 0.229 | S | C | * | . | trans | 57.4 | 6.6 | -178.2 | -56.7 | 0 | 0 | 0 | 0 | 115.7 | D208 | D208-C212 PolarHBondContact O-N 3.2Š| ||
| 213 | V | 80.7 | Confident | 84.2 | Confident | 37 Ų | 37 | 43.5 Ų | 43.5 | 22% | 0.224 | 25% | 0.245 | C | C | . | . | trans | -83.8 | 148.7 | 175.5 | -49.5 | 0 | 0 | 0 | 0 | 110.9 | Q118 D208 S211 K215 | Q118-V213 HydrophobicContact CG-CB 4.39Å; D208-V213 HydrophobicContact CB-CG2 4.3Å; D208-V213 WeakPolarHBondContact CB-O 3.29Å; D208-V213 PolarHBondContact N-O 2.86Å; S211-V213 PolarHBondContact O-N 3.16Å; S211-V213 WeakPolarHBondContact OG-CG2 3.39Å; V213-K215 HydrophobicContact CG2-CD 4.47Å; V213-K215 HydrophobicContact CG2-CG 3.91Å | ||
| 214 | L | 84.4 | Confident | 83.9 | Confident | 25 Ų | 25 | 47.7 Ų | 47.7 | 13% | 0.131 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 122.1 | 173.9 | -58.2 | 155.7 | 0 | 0 | 0 | 108.7 | Q118 V119 E121 L124 R190 V205 | Q118-L214 WeakPolarHBondContact CA-O 3.49Å; V119-L214 PolarHBondContact N-O 2.83Å; V119-L214 WeakPolarHBondContact O-CB 3.43Å; E121-L214 HydrophobicContact CB-CD1 3.84Å; E121-L214 WeakPolarHBondContact OE2-CD1 3.44Å; L124-L214 HydrophobicContact CD1-CD1 3.82Å; L124-L214 HydrophobicContact CD1-CD2 4.46Å; R190-L214 HydrophobicContact CG-CD2 4.17Å; V205-L214 HydrophobicContact CG1-CB 4.16Å |
| 215 | K | 90.8 | Very high | 83.7 | Confident | 24 Ų | 24 | 47.6 Ų | 47.6 | 10% | 0.104 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 121.6 | 179.7 | -63.3 | -177.9 | -178.1 | 166.6 | 0 | 109.2 | W116 V205 A206 D208 V213 H217 | W116-K215 HydrophobicContact CD2-CB 4.45Å; W116-K215 HydrophobicContact CD2-CD 3.93Å; W116-K215 HydrophobicContact CD2-CG 4.21Å; W116-K215 HydrophobicContact CE3-CB 4.02Å; W116-K215 HydrophobicContact CE3-CD 3.77Å; W116-K215 HydrophobicContact CE3-CG 3.62Å; W116-K215 HydrophobicContact CH2-CD 4.27Å; W116-K215 HydrophobicContact CZ2-CD 4.4Å; W116-K215 HydrophobicContact CZ3-CD 3.95Å; W116-K215 HydrophobicContact CZ3-CG 3.85Å; V205-K215 WeakPolarHBondContact CA-O 3.5Å; A206-K215 PolarHBondContact N-O 2.7Å; A206-K215 VanDerWaalsContact N-O 3.15Å; A206-K215 PolarHBondContact O-N 3.16Å; D208-K215 HydrophobicContact CB-CD 3.96Å; D208-K215 HydrophobicContact CB-CG 4.32Å; D208-K215 WeakPolarHBondContact OD1-CE 3.39Å; D208-K215 IonicContact OD1-NZ 3.45Å; D208-K215 PolarHBondContact OD1-NZ 2.97Å; D208-K215 IonicContact OD2-NZ 3.61Å; D208-K215 PolarHBondContact OD2-NZ 3.09Å; V213-K215 HydrophobicContact CG2-CD 4.47Å; V213-K215 HydrophobicContact CG2-CG 3.91Å; K215-H217 VanDerWaalsContact CB-NE2 3.34Å; K215-H217 WeakPolarHBondContact CB-NE2 3.46Å; K215-H217 PolarHBondContact O-CD2 2.63Å |
| 216 | C | 93.4 | Very high | 83.4 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 104.9 | 167.3 | -176.2 | 0 | 0 | 0 | 0 | 108.6 | W116 L117 V119 V136 F204 V205 | W116-C216 CarbonylContact C-O 3.58Å; W116-C216 WeakPolarHBondContact CA-O 3.31Å; W116-C216 WeakPolarHBondContact CB-O 3.22Å; L117-C216 PolarHBondContact N-O 2.91Å; L117-C216 PolarHBondContact O-N 2.91Å; V119-C216 HydrophobicContact CG2-CB 3.56Å; V136-C216 HydrophobicContact CB-CB 4.36Å; V136-C216 HydrophobicContact CG1-CB 3.88Å; V136-C216 VanDerWaalsContact CG1-SG 3.57Å; V136-C216 HydrophobicContact CG2-CB 4.27Å; F204-C216 CarbonylContact O-C 3.59Å; F204-C216 WeakPolarHBondContact O-CA 3.34Å; V205-C216 HydrophobicContact CG2-CB 3.86Å |
| 217 | H | 92.5 | Very high | 83.3 | Confident | 27 Ų | 27 | 56.6 Ų | 56.6 | 13% | 0.125 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 131.5 | 177.6 | -64.2 | -89.8 | 0 | 0 | 0 | 109.8 | A203 F204 K215 F219 | A203-H217 WeakPolarHBondContact CA-O 3.41Å; A203-H217 WeakPolarHBondContact CB-O 3.22Å; F204-H217 HydrophobicContact CD1-CB 4.44Å; F204-H217 HydrophobicContact CE1-CB 4.12Å; F204-H217 HydrophobicContact CE2-CB 4.49Å; F204-H217 AromaticContact CE2-CD2 3.89Å; F204-H217 HydrophobicContact CZ-CB 4.13Å; F204-H217 PolarHBondContact N-O 2.83Å; F204-H217 PolarHBondContact O-N 2.81Å; K215-H217 VanDerWaalsContact CB-NE2 3.34Å; K215-H217 WeakPolarHBondContact CB-NE2 3.46Å; K215-H217 PolarHBondContact O-CD2 2.63Å; H217-F219 HydrophobicContact CB-CE2 3.58Å; H217-F219 HydrophobicContact CB-CZ 3.94Å |
| 218 | V | 93.3 | Very high | 83.6 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 137.2 | -178.7 | -174.3 | 0 | 0 | 0 | 0 | 110.5 | L114 G115 V136 I137 L140 A203 | L114-V218 HydrophobicContact CB-CB 4.26Å; L114-V218 HydrophobicContact CB-CG1 4.24Å; L114-V218 HydrophobicContact CD1-CG1 3.99Å; L114-V218 HydrophobicContact CG-CG1 4.47Å; L114-V218 PolarHBondContact N-O 2.96Å; G115-V218 PolarHBondContact O-N 2.89Å; V136-V218 HydrophobicContact CG1-CG2 3.72Å; I137-V218 HydrophobicContact CG1-CG1 4.15Å; I137-V218 HydrophobicContact CG1-CG2 4.2Å; L140-V218 HydrophobicContact CB-CB 4.43Å; L140-V218 HydrophobicContact CB-CG2 4.47Å; L140-V218 HydrophobicContact CD1-CB 3.97Å; L140-V218 HydrophobicContact CD1-CG2 3.69Å; A203-V218 HydrophobicContact CB-CB 4.48Å; A203-V218 HydrophobicContact CB-CG2 3.9Å |
| 219 | F | 93.4 | Very high | 84 | Confident | 4 Ų | 4 | 53.6 Ų | 53.6 | 2% | 0.018 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 136.4 | -177.3 | -57.7 | -89.1 | 0 | 0 | 0 | 110.1 | V111 R112 L172 D201 F202 F204 H217 | V111-F219 HydrophobicContact CB-CB 4.17Å; V111-F219 HydrophobicContact CG2-CB 4.47Å; V111-F219 HydrophobicContact CG2-CD1 3.95Å; V111-F219 HydrophobicContact CG2-CG 4.49Å; R112-F219 CarbonylContact O-C 3.51Å; R112-F219 WeakPolarHBondContact O-CA 3.46Å; L172-F219 HydrophobicContact CD1-CE1 3.76Å; L172-F219 HydrophobicContact CD1-CZ 3.78Å; L172-F219 HydrophobicContact CD2-CE1 4.09Å; L172-F219 HydrophobicContact CD2-CZ 4.37Å; D201-F219 CarbonylContact C-O 3.57Å; D201-F219 WeakPolarHBondContact CA-O 3.43Å; F202-F219 HydrophobicContact CD1-CD2 4.28Å; F202-F219 PolarHBondContact N-O 3.44Å; F202-F219 PolarHBondContact O-N 3.35Å; F204-F219 AromaticContact CD1-CE2 3.84Å; F204-F219 HydrophobicContact CD1-CE2 3.84Å; F204-F219 HydrophobicContact CE1-CD2 4.48Å; F204-F219 AromaticContact CE1-CE2 3.47Å; F204-F219 HydrophobicContact CE1-CE2 3.47Å; F204-F219 VanDerWaalsContact CE1-CE2 3.47Å; F204-F219 AromaticContact CE1-CZ 3.99Å; F204-F219 HydrophobicContact CE1-CZ 3.99Å; F204-F219 HydrophobicContact CZ-CE2 4.45Å; H217-F219 HydrophobicContact CB-CE2 3.58Å; H217-F219 HydrophobicContact CB-CZ 3.94Å |
| 220 | R | 91.6 | Very high | 85.2 | Confident | 86 Ų | 86 | 48.6 Ų | 48.6 | 33% | 0.325 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 121.1 | 168.7 | -175.2 | 156.6 | -68.5 | 153.8 | 0.4 | 109.5 | V111 R112 L114 S141 D201 | V111-R220 CarbonylContact C-O 3.5Å; V111-R220 WeakPolarHBondContact CA-O 3.25Å; R112-R220 PolarHBondContact N-O 3.29Å; R112-R220 PolarHBondContact O-N 3.26Å; L114-R220 HydrophobicContact CD1-CB 4.21Å; L114-R220 HydrophobicContact CD2-CB 4.11Å; L114-R220 HydrophobicContact CG-CB 4.18Å; S141-R220 PolarHBondContact O-NH2 3.1Å; D201-R220 WeakPolarHBondContact OD1-CB 3.01Å; D201-R220 WeakPolarHBondContact OD1-CG 3.39Å; D201-R220 IonicContact OD1-CZ 3.56Å; D201-R220 IonicContact OD1-NE 2.81Å; D201-R220 PolarHBondContact OD1-NE 2.91Å; D201-R220 IonicContact OD1-NH2 2.73Å; D201-R220 PolarHBondContact OD1-NH2 3.34Å; D201-R220 IonicContact OD2-CZ 3.48Å; D201-R220 IonicContact OD2-NE 2.8Å; D201-R220 IonicContact OD2-NH2 2.84Å; D201-R220 PolarHBondContact OD2-NH2 2.87Å |
| 221 | C | 91.8 | Very high | 86.5 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.02 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 139.9 | -173.5 | -54.2 | 0 | 0 | 0 | 0 | 111.8 | V111 R200 F202 A223 A225 I228 | V111-C221 HydrophobicContact CG1-CB 4.34Å; R200-C221 VanDerWaalsContact O-CB 3.24Å; R200-C221 WeakPolarHBondContact O-CB 3.38Å; R200-C221 PolarHBondContact O-N 2.68Å; R200-C221 PolarHBondContact O-SG 3.46Å; F202-C221 VanDerWaalsContact CB-SG 3.57Å; C221-A223 CarbonylContact C-O 3.43Å; C221-A223 WeakPolarHBondContact CB-O 3.3Å; C221-A225 HydrophobicContact CB-CB 4.47Å; C221-I228 HydrophobicContact CB-CD1 4.35Å; C221-I228 WeakPolarHBondContact SG-CD1 3.5Å |
| 222 | N | 88 | Confident | 87.6 | Confident | 85 Ų | 85 | 38.6 Ų | 38.6 | 46% | 0.455 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -71.3 | -37.7 | 174 | -70.3 | -2.7 | 0 | 0 | 0 | 111 | A110 R200 | A110-N222 HydrophobicContact CB-CB 4.29Å; A110-N222 PolarHBondContact O-N 3.26Å; A110-N222 VanDerWaalsContact O-N 3.11Å; R200-N222 PolarHBondContact NH1-O 3.17Å |
| 223 | A | 85.9 | Confident | 88.3 | Confident | 41 Ų | 41 | 38.3 Ų | 38.3 | 34% | 0.339 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -87.6 | 164.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | C221 A225 | C221-A223 CarbonylContact C-O 3.43Å; C221-A223 WeakPolarHBondContact CB-O 3.3Å; A223-A225 PolarHBondContact O-N 2.69Å |
| 224 | P | 86.9 | Confident | 88.5 | Confident | 88 Ų | 88 | 42 Ų | 42 | 57% | 0.571 | 23% | 0.225 | S | C | * | . | trans | -56.6 | 125.7 | 174.5 | -24.1 | 34.5 | 0 | 0 | 0 | 111.5 | K226 A227 | P224-K226 PolarHBondContact O-N 2.84Å; P224-A227 VanDerWaalsContact O-CB 3.27Å; P224-A227 WeakPolarHBondContact O-CB 3.32Å; P224-A227 PolarHBondContact O-N 3.06Å | ||
| 225 | A | 89.6 | Confident | 88.4 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.6 | -23.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | V194 G199 F202 C221 A223 A227 I228 A229 | V194-A225 HydrophobicContact CG1-CB 3.76Å; V194-A225 HydrophobicContact CG2-CB 4.15Å; G199-A225 PolarHBondContact O-N 2.99Å; F202-A225 HydrophobicContact CB-CB 3.77Å; C221-A225 HydrophobicContact CB-CB 4.47Å; A223-A225 PolarHBondContact O-N 2.69Å; A225-A227 PolarHBondContact O-N 3.31Å; A225-I228 PolarHBondContact O-N 3.28Å; A225-I228 VanDerWaalsContact O-N 3.16Å; A225-A229 PolarHBondContact O-N 2.8Å; A225-A229 VanDerWaalsContact O-N 3.11Å |
| 226 | K | 85.7 | Confident | 87.7 | Confident | 147 Ų | 147 | 41.3 Ų | 41.3 | 64% | 0.639 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -55.1 | -33 | 169.1 | -172.7 | 176.5 | 179.6 | -178.7 | 0 | 112.8 | P224 A229 S230 | P224-K226 PolarHBondContact O-N 2.84Å; K226-A229 PolarHBondContact O-N 3.15Å; K226-S230 VanDerWaalsContact O-CB 3.32Å; K226-S230 WeakPolarHBondContact O-CB 3.13Å; K226-S230 PolarHBondContact O-N 3.23Å; K226-S230 PolarHBondContact O-OG 3.4Å |
| 227 | A | 87.3 | Confident | 87.1 | Confident | 43 Ų | 43 | 44 Ų | 44 | 36% | 0.355 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.2 | -41.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | F109 P224 A225 A231 | F109-A227 HydrophobicContact CE1-CB 3.94Å; P224-A227 VanDerWaalsContact O-CB 3.27Å; P224-A227 WeakPolarHBondContact O-CB 3.32Å; P224-A227 PolarHBondContact O-N 3.06Å; A225-A227 PolarHBondContact O-N 3.31Å; A227-A231 VanDerWaalsContact O-CB 3.29Å; A227-A231 WeakPolarHBondContact O-CB 3.33Å; A227-A231 PolarHBondContact O-N 2.84Å |
| 228 | I | 88.9 | Confident | 86.4 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.4 | -47.3 | 175 | -51.3 | -171.7 | 0 | 0 | 0 | 110.2 | F109 V111 L163 L165 F202 C221 A225 S230 A231 L232 | F109-I228 HydrophobicContact CB-CD1 3.83Å; F109-I228 HydrophobicContact CB-CG1 4.19Å; F109-I228 HydrophobicContact CD1-CD1 4.21Å; F109-I228 HydrophobicContact CD1-CG1 3.64Å; F109-I228 HydrophobicContact CD2-CD1 4.29Å; F109-I228 HydrophobicContact CD2-CG1 3.92Å; F109-I228 HydrophobicContact CE1-CG1 3.89Å; F109-I228 HydrophobicContact CE2-CG1 4.18Å; F109-I228 HydrophobicContact CG-CD1 3.86Å; F109-I228 HydrophobicContact CG-CG1 3.64Å; F109-I228 HydrophobicContact CZ-CG1 4.15Å; V111-I228 HydrophobicContact CG1-CD1 3.98Å; L163-I228 HydrophobicContact CD1-CD1 4.39Å; L163-I228 HydrophobicContact CD1-CG2 4.48Å; L163-I228 HydrophobicContact CD2-CG2 4.13Å; L165-I228 HydrophobicContact CD1-CG2 4.23Å; F202-I228 HydrophobicContact CD1-CD1 4.47Å; F202-I228 HydrophobicContact CD1-CG2 4.02Å; F202-I228 HydrophobicContact CD2-CB 4.21Å; F202-I228 HydrophobicContact CD2-CG2 4.18Å; F202-I228 HydrophobicContact CE1-CG2 3.88Å; F202-I228 HydrophobicContact CE2-CB 4.45Å; F202-I228 HydrophobicContact CE2-CG2 4.05Å; F202-I228 HydrophobicContact CG-CB 4.32Å; F202-I228 HydrophobicContact CG-CD1 4.47Å; F202-I228 HydrophobicContact CG-CG2 4.19Å; F202-I228 HydrophobicContact CZ-CG2 3.92Å; C221-I228 HydrophobicContact CB-CD1 4.35Å; C221-I228 WeakPolarHBondContact SG-CD1 3.5Å; A225-I228 PolarHBondContact O-N 3.28Å; A225-I228 VanDerWaalsContact O-N 3.16Å; I228-S230 VanDerWaalsContact C-N 3.33Å; I228-S230 PolarHBondContact O-N 3.04Å; I228-A231 PolarHBondContact O-N 2.86Å; I228-L232 HydrophobicContact CG2-CD1 4.26Å; I228-L232 PolarHBondContact O-N 3.42Å |
| 229 | A | 87.8 | Confident | 85.5 | Confident | 15 Ų | 15 | 48.3 Ų | 48.3 | 12% | 0.124 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.8 | -37.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | V194 F202 A225 K226 H233 | V194-A229 HydrophobicContact CG2-CB 3.68Å; F202-A229 HydrophobicContact CE2-CB 4.39Å; A225-A229 PolarHBondContact O-N 2.8Å; A225-A229 VanDerWaalsContact O-N 3.11Å; K226-A229 PolarHBondContact O-N 3.15Å; A229-H233 VanDerWaalsContact O-CB 3.29Å; A229-H233 WeakPolarHBondContact O-CB 3.3Å; A229-H233 PolarHBondContact O-N 3.17Å |
| 230 | S | 84.4 | Confident | 84.2 | Confident | 62 Ų | 62 | 53.4 Ų | 53.4 | 43% | 0.434 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -71 | -38.1 | 173.5 | -72.9 | 0 | 0 | 0 | 0 | 112.4 | K226 I228 H233 E234 | K226-S230 VanDerWaalsContact O-CB 3.32Å; K226-S230 WeakPolarHBondContact O-CB 3.13Å; K226-S230 PolarHBondContact O-N 3.23Å; K226-S230 PolarHBondContact O-OG 3.4Å; I228-S230 VanDerWaalsContact C-N 3.33Å; I228-S230 PolarHBondContact O-N 3.04Å; S230-H233 PolarHBondContact O-N 3.41Å; S230-E234 WeakPolarHBondContact O-CB 3.3Å; S230-E234 PolarHBondContact O-N 2.83Å |
| 231 | A | 87.8 | Confident | 83 | Confident | 3 Ų | 3 | 52.3 Ų | 52.3 | 3% | 0.025 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.5 | -44.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | K107 F109 L165 A227 I228 E234 M235 | K107-A231 HydrophobicContact CD-CB 3.62Å; F109-A231 HydrophobicContact CE2-CB 4.43Å; F109-A231 HydrophobicContact CZ-CB 4.16Å; L165-A231 HydrophobicContact CD1-CB 3.55Å; A227-A231 VanDerWaalsContact O-CB 3.29Å; A227-A231 WeakPolarHBondContact O-CB 3.33Å; A227-A231 PolarHBondContact O-N 2.84Å; I228-A231 PolarHBondContact O-N 2.86Å; A231-E234 PolarHBondContact O-N 3.5Å; A231-M235 WeakPolarHBondContact O-CG 3.23Å; A231-M235 PolarHBondContact O-N 3.37Å |
| 232 | L | 86.9 | Confident | 81.4 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.9 | -41.8 | 172.1 | -80.6 | 169.6 | 0 | 0 | 0 | 112 | L165 L170 I186 I189 W192 F202 I228 E234 M235 C236 | L165-L232 HydrophobicContact CD1-CD2 4.25Å; L165-L232 HydrophobicContact CD1-CG 3.87Å; L165-L232 HydrophobicContact CD2-CD2 3.61Å; L165-L232 HydrophobicContact CD2-CG 4.02Å; L170-L232 HydrophobicContact CD1-CD1 4.34Å; L170-L232 HydrophobicContact CD1-CD2 4.45Å; I186-L232 HydrophobicContact CD1-CD2 3.89Å; I186-L232 HydrophobicContact CG1-CD2 3.94Å; I186-L232 HydrophobicContact CG2-CD2 4.02Å; I189-L232 HydrophobicContact CD1-CD2 4.4Å; W192-L232 HydrophobicContact CG-CD1 4.49Å; W192-L232 HydrophobicContact CZ2-CB 4.48Å; F202-L232 HydrophobicContact CE1-CD1 4.27Å; F202-L232 HydrophobicContact CE2-CD1 3.96Å; F202-L232 HydrophobicContact CZ-CD1 3.36Å; I228-L232 HydrophobicContact CG2-CD1 4.26Å; I228-L232 PolarHBondContact O-N 3.42Å; L232-E234 PolarHBondContact O-N 2.79Å; L232-M235 PolarHBondContact O-N 2.97Å; L232-C236 VanDerWaalsContact O-CB 3.28Å; L232-C236 WeakPolarHBondContact O-CB 3.36Å; L232-C236 PolarHBondContact O-N 3.18Å; L232-C236 PolarHBondContact O-SG 3.05Å |
| 233 | H | 83.6 | Confident | 79.4 | Confident | 114 Ų | 114 | 57.6 Ų | 57.6 | 53% | 0.528 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63 | -41.7 | 175.9 | -177.2 | 74.5 | 0 | 0 | 0 | 112.1 | W192 A229 S230 C236 S237 | W192-H233 HydrophobicContact CZ2-CB 4.07Å; A229-H233 VanDerWaalsContact O-CB 3.29Å; A229-H233 WeakPolarHBondContact O-CB 3.3Å; A229-H233 PolarHBondContact O-N 3.17Å; S230-H233 PolarHBondContact O-N 3.41Å; H233-C236 PolarHBondContact O-N 2.78Å; H233-S237 VanDerWaalsContact O-CB 3.26Å; H233-S237 WeakPolarHBondContact O-CB 3.5Å; H233-S237 PolarHBondContact O-N 2.86Å |
| 234 | E | 84.1 | Confident | 77.4 | Confident | 114 Ų | 114 | 57.8 Ų | 57.8 | 53% | 0.533 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64 | -43.1 | 175 | -174.8 | 179.5 | -173.5 | 0 | 0 | 111.7 | K107 S230 A231 L232 S237 K238 | K107-E234 IonicContact NZ-OE2 3.19Å; K107-E234 PolarHBondContact NZ-OE2 2.92Å; S230-E234 WeakPolarHBondContact O-CB 3.3Å; S230-E234 PolarHBondContact O-N 2.83Å; A231-E234 PolarHBondContact O-N 3.5Å; L232-E234 PolarHBondContact O-N 2.79Å; E234-S237 CarbonylContact O-C 3.57Å; E234-S237 WeakPolarHBondContact O-CB 3.49Å; E234-S237 PolarHBondContact O-N 2.97Å; E234-K238 WeakPolarHBondContact O-CB 3.19Å; E234-K238 PolarHBondContact O-N 3.19Å |
| 235 | M | 81.9 | Confident | 75.2 | Confident | 19 Ų | 19 | 61 Ų | 61 | 9% | 0.094 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.9 | -40.9 | 175 | -70.2 | 173.2 | 79.3 | 0 | 0 | 112.3 | L165 K167 I186 A231 L232 S237 K238 M239 | L165-M235 HydrophobicContact CB-CE 4.37Å; L165-M235 HydrophobicContact CB-SD 3.64Å; L165-M235 HydrophobicContact CD1-SD 4.33Å; L165-M235 HydrophobicContact CG-SD 4.42Å; K167-M235 VanDerWaalsContact C-CE 3.48Å; K167-M235 WeakPolarHBondContact O-CE 3.41Å; I186-M235 HydrophobicContact CD1-CB 4.23Å; I186-M235 HydrophobicContact CD1-CE 3.37Å; I186-M235 HydrophobicContact CD1-SD 3.89Å; A231-M235 WeakPolarHBondContact O-CG 3.23Å; A231-M235 PolarHBondContact O-N 3.37Å; L232-M235 PolarHBondContact O-N 2.97Å; M235-S237 VanDerWaalsContact C-N 3.3Å; M235-S237 PolarHBondContact O-N 2.94Å; M235-K238 PolarHBondContact O-N 3.18Å; M235-M239 WeakPolarHBondContact O-CB 3.42Å; M235-M239 VanDerWaalsContact O-CG 3.28Å; M235-M239 WeakPolarHBondContact O-CG 3.38Å; M235-M239 PolarHBondContact O-N 3.44Å |
| 236 | C | 78 | Confident | 72.7 | Confident | 16 Ų | 16 | 69.5 Ų | 69.5 | 11% | 0.108 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.5 | -39.3 | 171.4 | -75.3 | 0 | 0 | 0 | 0 | 111.4 | I186 W192 L232 H233 M240 | I186-C236 WeakPolarHBondContact CG2-SG 3.49Å; W192-C236 HydrophobicContact CH2-CB 4.1Å; L232-C236 VanDerWaalsContact O-CB 3.28Å; L232-C236 WeakPolarHBondContact O-CB 3.36Å; L232-C236 PolarHBondContact O-N 3.18Å; L232-C236 PolarHBondContact O-SG 3.05Å; H233-C236 PolarHBondContact O-N 2.78Å; C236-M240 HydrophobicContact CB-CE 4.31Å; C236-M240 VanDerWaalsContact O-CB 3.25Å; C236-M240 WeakPolarHBondContact O-CB 3.47Å; C236-M240 WeakPolarHBondContact O-CE 3.39Å; C236-M240 WeakPolarHBondContact O-CG 3.32Å; C236-M240 PolarHBondContact O-N 3.34Å |
| 237 | S | 79.9 | Confident | 70.2 | Confident | 56 Ų | 56 | 65.5 Ų | 65.5 | 39% | 0.392 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -68.3 | -42.4 | 175.2 | -170.1 | 0 | 0 | 0 | 0 | 111.8 | H233 E234 M235 M240 S241 | H233-S237 VanDerWaalsContact O-CB 3.26Å; H233-S237 WeakPolarHBondContact O-CB 3.5Å; H233-S237 PolarHBondContact O-N 2.86Å; E234-S237 CarbonylContact O-C 3.57Å; E234-S237 WeakPolarHBondContact O-CB 3.49Å; E234-S237 PolarHBondContact O-N 2.97Å; M235-S237 VanDerWaalsContact C-N 3.3Å; M235-S237 PolarHBondContact O-N 2.94Å; S237-M240 PolarHBondContact O-N 2.88Å; S237-S241 VanDerWaalsContact O-CB 3.27Å; S237-S241 WeakPolarHBondContact O-CB 3.42Å; S237-S241 PolarHBondContact O-N 2.87Å; S237-S241 PolarHBondContact O-OG 3.46Å |
| 238 | K | 78.1 | Confident | 67.7 | Low | 74 Ų | 74 | 66.3 Ų | 66.3 | 32% | 0.322 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.4 | -48.7 | 174.5 | -174.5 | 172.3 | 178.8 | 172.6 | 0 | 110.5 | D105 E234 M235 M240 S241 E242 | D105-K238 IonicContact OD1-NZ 3.96Å; D105-K238 PolarHBondContact OD1-NZ 2.99Å; D105-K238 IonicContact OD2-NZ 3.45Å; D105-K238 PolarHBondContact OD2-NZ 3.35Å; E234-K238 WeakPolarHBondContact O-CB 3.19Å; E234-K238 PolarHBondContact O-N 3.19Å; M235-K238 PolarHBondContact O-N 3.18Å; K238-M240 PolarHBondContact O-N 3.01Å; K238-S241 WeakPolarHBondContact CA-OG 3.48Å; K238-S241 PolarHBondContact O-N 3.05Å; K238-S241 PolarHBondContact O-OG 3.16Å; K238-E242 WeakPolarHBondContact CE-OE1 3.48Å; K238-E242 HydrophobicContact CG-CG 4.03Å; K238-E242 IonicContact NZ-OE1 2.57Å; K238-E242 VanDerWaalsContact O-CB 3.24Å; K238-E242 WeakPolarHBondContact O-CB 3.38Å; K238-E242 WeakPolarHBondContact O-CG 3.26Å; K238-E242 PolarHBondContact O-N 2.64Å |
| 239 | M | 73.1 | Confident | 65.2 | Low | 43 Ų | 43 | 69.7 Ų | 69.7 | 21% | 0.212 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.3 | -42.8 | 171.6 | -72.1 | -170 | -59.5 | 0 | 0 | 111.8 | D168 I186 M235 S241 K243 | D168-M239 HydrophobicContact CB-SD 3.68Å; I186-M239 HydrophobicContact CB-CE 3.73Å; I186-M239 HydrophobicContact CG2-CE 3.49Å; I186-M239 VanDerWaalsContact CG2-CE 3.49Å; M235-M239 WeakPolarHBondContact O-CB 3.42Å; M235-M239 VanDerWaalsContact O-CG 3.28Å; M235-M239 WeakPolarHBondContact O-CG 3.38Å; M235-M239 PolarHBondContact O-N 3.44Å; M239-S241 VanDerWaalsContact C-N 3.35Å; M239-S241 PolarHBondContact O-N 2.83Å; M239-K243 WeakPolarHBondContact O-CA 3.15Å; M239-K243 WeakPolarHBondContact O-CB 3.36Å; M239-K243 PolarHBondContact O-N 2.81Å |
| 240 | M | 67.9 | Low | 63 | Low | 112 Ų | 112 | 74.5 Ų | 74.5 | 55% | 0.552 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -66.9 | -33.9 | 177.6 | -77.2 | -174.1 | -70 | 0 | 0 | 112.8 | C236 S237 K238 A244 | C236-M240 HydrophobicContact CB-CE 4.31Å; C236-M240 VanDerWaalsContact O-CB 3.25Å; C236-M240 WeakPolarHBondContact O-CB 3.47Å; C236-M240 WeakPolarHBondContact O-CE 3.39Å; C236-M240 WeakPolarHBondContact O-CG 3.32Å; C236-M240 PolarHBondContact O-N 3.34Å; S237-M240 PolarHBondContact O-N 2.88Å; K238-M240 PolarHBondContact O-N 3.01Å; M240-A244 VanDerWaalsContact O-CB 3.27Å; M240-A244 WeakPolarHBondContact O-CB 3.5Å; M240-A244 PolarHBondContact O-N 3.33Å |
| 241 | S | 65.4 | Low | 60.5 | Low | 62 Ų | 62 | 74.6 Ų | 74.6 | 43% | 0.434 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -90.3 | -35.2 | -176.8 | 58.6 | 0 | 0 | 0 | 0 | 114.5 | S237 K238 M239 A244 L245 | S237-S241 VanDerWaalsContact O-CB 3.27Å; S237-S241 WeakPolarHBondContact O-CB 3.42Å; S237-S241 PolarHBondContact O-N 2.87Å; S237-S241 PolarHBondContact O-OG 3.46Å; K238-S241 WeakPolarHBondContact CA-OG 3.48Å; K238-S241 PolarHBondContact O-N 3.05Å; K238-S241 PolarHBondContact O-OG 3.16Å; M239-S241 VanDerWaalsContact C-N 3.35Å; M239-S241 PolarHBondContact O-N 2.83Å; S241-A244 CarbonylContact O-C 3.57Å; S241-A244 VanDerWaalsContact O-C 3.26Å; S241-A244 VanDerWaalsContact O-CA 3.3Å; S241-A244 WeakPolarHBondContact O-CA 3.29Å; S241-A244 WeakPolarHBondContact O-CB 3.39Å; S241-A244 PolarHBondContact O-N 3.19Å; S241-L245 WeakPolarHBondContact O-CB 3.43Å; S241-L245 PolarHBondContact O-N 2.83Å |
| 242 | E | 57.6 | Low | 57.8 | Low | 99 Ų | 99 | 81.9 Ų | 81.9 | 46% | 0.463 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66 | -43.7 | 165.2 | -72.7 | -178.3 | 163.9 | 0 | 0 | 110 | K238 A244 L245 M246 | K238-E242 WeakPolarHBondContact CE-OE1 3.48Å; K238-E242 HydrophobicContact CG-CG 4.03Å; K238-E242 IonicContact NZ-OE1 2.57Å; K238-E242 VanDerWaalsContact O-CB 3.24Å; K238-E242 WeakPolarHBondContact O-CB 3.38Å; K238-E242 WeakPolarHBondContact O-CG 3.26Å; K238-E242 PolarHBondContact O-N 2.64Å; E242-A244 PolarHBondContact O-N 2.91Å; E242-L245 PolarHBondContact O-N 2.79Å; E242-M246 WeakPolarHBondContact O-CB 3.32Å; E242-M246 PolarHBondContact O-N 3Å |
| 243 | K | 47.4 | Very low | 55.4 | Low | 101 Ų | 101 | 87.1 Ų | 87.1 | 44% | 0.439 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.9 | -33.2 | 167.4 | -148.2 | 173.1 | 178.6 | 171.8 | 0 | 108.5 | M239 L245 R247 | M239-K243 WeakPolarHBondContact O-CA 3.15Å; M239-K243 WeakPolarHBondContact O-CB 3.36Å; M239-K243 PolarHBondContact O-N 2.81Å; K243-L245 VanDerWaalsContact C-N 3.31Å; K243-L245 PolarHBondContact O-N 3.42Å; K243-R247 HydrophobicContact CG-CG 4.03Å; K243-R247 VanDerWaalsContact O-CA 3.29Å; K243-R247 WeakPolarHBondContact O-CA 3.29Å; K243-R247 WeakPolarHBondContact O-CB 3.37Å; K243-R247 WeakPolarHBondContact O-CD 3.17Å; K243-R247 WeakPolarHBondContact O-CG 3.32Å; K243-R247 PolarHBondContact O-N 2.85Å |
| 244 | A | 43.3 | Very low | 53 | Low | 45 Ų | 45 | 90.9 Ų | 90.9 | 37% | 0.372 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -74.6 | -7.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | M240 S241 E242 R247 | M240-A244 VanDerWaalsContact O-CB 3.27Å; M240-A244 WeakPolarHBondContact O-CB 3.5Å; M240-A244 PolarHBondContact O-N 3.33Å; S241-A244 CarbonylContact O-C 3.57Å; S241-A244 VanDerWaalsContact O-C 3.26Å; S241-A244 VanDerWaalsContact O-CA 3.3Å; S241-A244 WeakPolarHBondContact O-CA 3.29Å; S241-A244 WeakPolarHBondContact O-CB 3.39Å; S241-A244 PolarHBondContact O-N 3.19Å; E242-A244 PolarHBondContact O-N 2.91Å; A244-R247 CarbonylContact C-O 3.58Å |
| 245 | L | 40.4 | Very low | 50.6 | Low | 154 Ų | 154 | 93.2 Ų | 93.2 | 81% | 0.806 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -104 | -31.5 | 176.3 | -174.1 | 61.8 | 0 | 0 | 0 | 112 | S241 E242 K243 | S241-L245 WeakPolarHBondContact O-CB 3.43Å; S241-L245 PolarHBondContact O-N 2.83Å; E242-L245 PolarHBondContact O-N 2.79Å; K243-L245 VanDerWaalsContact C-N 3.31Å; K243-L245 PolarHBondContact O-N 3.42Å |
| 246 | M | 36.7 | Very low | 48.4 | Very low | 179 Ų | 179 | 98.3 Ų | 98.3 | 88% | 0.882 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -90.3 | -18.9 | 169.7 | -83.4 | -78 | 167.7 | 0 | 0 | 113.2 | E242 | E242-M246 WeakPolarHBondContact O-CB 3.32Å; E242-M246 PolarHBondContact O-N 3Å |
| 247 | R | 34.5 | Very low | 46.3 | Very low | 63 Ų | 63 | 102.6 Ų | 102.6 | 24% | 0.238 | 54% | 0.542 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 135.7 | 157.3 | -62.7 | 154.7 | 160.6 | 156 | -8.1 | 107.1 | K243 A244 S249 R250 | K243-R247 HydrophobicContact CG-CG 4.03Å; K243-R247 VanDerWaalsContact O-CA 3.29Å; K243-R247 WeakPolarHBondContact O-CA 3.29Å; K243-R247 WeakPolarHBondContact O-CB 3.37Å; K243-R247 WeakPolarHBondContact O-CD 3.17Å; K243-R247 WeakPolarHBondContact O-CG 3.32Å; K243-R247 PolarHBondContact O-N 2.85Å; A244-R247 CarbonylContact C-O 3.58Å; R247-S249 VanDerWaalsContact C-N 3.29Å; R247-S249 PolarHBondContact O-N 3.26Å; R247-R250 HydrophobicContact CB-CB 4.17Å; R247-R250 HydrophobicContact CG-CB 3.84Å; R247-R250 PolarHBondContact NE-O 2.98Å; R247-R250 VanDerWaalsContact NE-O 3.16Å; R247-R250 PolarHBondContact NH1-O 3.04Å; R247-R250 PolarHBondContact NH2-O 3.25Å |
| 248 | P | 33.6 | Very low | 44.2 | Very low | 60 Ų | 60 | 103.1 Ų | 103.1 | 39% | 0.39 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | 98.2 | 141.5 | 26.7 | -25.6 | 0 | 0 | 0 | 107.8 | R250 F268 V272 | P248-R250 PolarHBondContact O-N 3.04Å; P248-R250 VanDerWaalsContact O-N 3.16Å; P248-F268 HydrophobicContact CB-CZ 4.04Å; P248-V272 HydrophobicContact CB-CG2 4.18Å |
| 249 | S | 36.6 | Very low | 42.3 | Very low | 73 Ų | 73 | 104.5 Ų | 104.5 | 51% | 0.51 | 56% | 0.562 | S | S | . | * | S | Bend | trans | 39.9 | 56.4 | 163.7 | -47.8 | 0 | 0 | 0 | 0 | 117.5 | R247 S251 | R247-S249 VanDerWaalsContact C-N 3.29Å; R247-S249 PolarHBondContact O-N 3.26Å; S249-S251 PolarHBondContact O-N 3.49Å |
| 250 | R | 41.9 | Very low | 40.8 | Very low | 116 Ų | 116 | 108.8 Ų | 108.8 | 44% | 0.438 | 58% | 0.582 | S | S | . | * | trans | -96 | 59.7 | 168.8 | -76.4 | 178.8 | 162.5 | -168.2 | -5.3 | 112.6 | R247 P248 | R247-R250 HydrophobicContact CB-CB 4.17Å; R247-R250 HydrophobicContact CG-CB 3.84Å; R247-R250 PolarHBondContact NE-O 2.98Å; R247-R250 VanDerWaalsContact NE-O 3.16Å; R247-R250 PolarHBondContact NH1-O 3.04Å; R247-R250 PolarHBondContact NH2-O 3.25Å; P248-R250 PolarHBondContact O-N 3.04Å; P248-R250 VanDerWaalsContact O-N 3.16Å | ||
| 251 | S | 31.2 | Very low | 39.5 | Very low | 63 Ų | 63 | 109.1 Ų | 109.1 | 44% | 0.441 | 59% | 0.586 | S | S | . | * | trans | -165.4 | 99.8 | 158.6 | 50.4 | 0 | 0 | 0 | 0 | 110.5 | S249 T253 | S249-S251 PolarHBondContact O-N 3.49Å; S251-T253 PolarHBondContact O-N 3.46Å | ||
| 252 | F | 32.6 | Very low | 38.2 | Very low | 157 Ų | 157 | 111.6 Ų | 111.6 | 69% | 0.689 | 59% | 0.593 | S | S | * | * | trans | -76.1 | 78.8 | 164.2 | -76.9 | -89.4 | 0 | 0 | 0 | 109 | M254 L269 | F252-M254 PolarHBondContact O-N 3.35Å; F252-L269 HydrophobicContact CZ-CD2 4.32Å | ||
| 253 | T | 35 | Very low | 37 | Very low | 109 Ų | 109 | 111.6 Ų | 111.6 | 67% | 0.669 | 60% | 0.602 | S | S | * | * | trans | -67 | 125.5 | 155 | 39.8 | 0 | 0 | 0 | 0 | 107.4 | S251 E255 | S251-T253 PolarHBondContact O-N 3.46Å; T253-E255 PolarHBondContact O-N 3.28Å | ||
| 254 | M | 33.7 | Very low | 36.5 | Very low | 193 Ų | 193 | 117 Ų | 117 | 95% | 0.951 | 62% | 0.62 | S | S | * | * | trans | -78.3 | 67.9 | -172 | -161.2 | -174.2 | -166.4 | 0 | 0 | 111.4 | F252 | F252-M254 PolarHBondContact O-N 3.35Š| ||
| 255 | E | 33.5 | Very low | 36.4 | Very low | 164 Ų | 164 | 118.6 Ų | 118.6 | 77% | 0.766 | 62% | 0.619 | S | S | * | * | trans | -74.9 | 142.7 | 164.3 | -69.1 | -164.8 | 140.6 | 0 | 0 | 110.1 | T253 I257 | T253-E255 PolarHBondContact O-N 3.28Å; E255-I257 PolarHBondContact O-N 2.9Å | ||
| 256 | S | 35.9 | Very low | 36.3 | Very low | 125 Ų | 125 | 115.5 Ų | 115.5 | 87% | 0.874 | 61% | 0.607 | S | S | * | * | trans | -59.2 | 102.5 | -165.6 | 175.5 | 0 | 0 | 0 | 0 | 113.5 | S258 | S256-S258 PolarHBondContact O-N 3.16Š| ||
| 257 | I | 34.1 | Very low | 36.3 | Very low | 107 Ų | 107 | 114.4 Ų | 114.4 | 55% | 0.549 | 60% | 0.599 | S | S | . | * | trans | -68.4 | 118.8 | 175.6 | -57.1 | 174 | 0 | 0 | 0 | 109.9 | E255 | E255-I257 PolarHBondContact O-N 2.9Š| ||
| 258 | S | 35.3 | Very low | 36.4 | Very low | 66 Ų | 66 | 116.3 Ų | 116.3 | 46% | 0.462 | 61% | 0.61 | S | S | . | * | trans | -72.9 | 145.9 | 169.2 | -157.9 | 0 | 0 | 0 | 0 | 110.2 | S256 E260 | S256-S258 PolarHBondContact O-N 3.16Å; S258-E260 WeakPolarHBondContact CB-OE2 3.35Å; S258-E260 PolarHBondContact O-N 2.76Å; S258-E260 PolarHBondContact OG-OE2 3.3Å | ||
| 259 | P | 38.6 | Very low | 36.6 | Very low | 103 Ų | 103 | 117.6 Ų | 117.6 | 67% | 0.669 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -9 | -172 | -25 | 35.3 | 0 | 0 | 0 | 117.2 | ||
| 260 | E | 41.1 | Very low | 36.7 | Very low | 133 Ų | 133 | 118.5 Ų | 118.5 | 62% | 0.621 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -23.3 | -165.8 | -64 | 71.9 | -150.1 | 0 | 0 | 115.7 | S258 L262 | S258-E260 WeakPolarHBondContact CB-OE2 3.35Å; S258-E260 PolarHBondContact O-N 2.76Å; S258-E260 PolarHBondContact OG-OE2 3.3Å; E260-L262 PolarHBondContact O-N 3.44Å |
| 261 | D | 41.6 | Very low | 36.5 | Very low | 119 Ų | 119 | 116.1 Ų | 116.1 | 64% | 0.636 | 61% | 0.614 | S | S | * | * | trans | -89.3 | 3 | -171.2 | -80.5 | -48.3 | 0 | 0 | 0 | 115.7 | P263 | D261-P263 WeakPolarHBondContact O-CD 3.33Å; D261-P263 VanDerWaalsContact O-N 3.14Å | ||
| 262 | L | 36.7 | Very low | 36.9 | Very low | 114 Ų | 114 | 115.2 Ų | 115.2 | 60% | 0.597 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -50.7 | -34.7 | -177 | -126.2 | 74.5 | 0 | 0 | 0 | 116.8 | E260 R264 | E260-L262 PolarHBondContact O-N 3.44Å; L262-R264 PolarHBondContact O-N 3.27Å |
| 263 | P | 34 | Very low | 37.6 | Very low | 99 Ų | 99 | 113.4 Ų | 113.4 | 64% | 0.643 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -69.9 | -31.6 | -172.8 | -23.2 | 34.8 | 0 | 0 | 0 | 115.6 | D261 | D261-P263 WeakPolarHBondContact O-CD 3.33Å; D261-P263 VanDerWaalsContact O-N 3.14Å |
| 264 | R | 36.1 | Very low | 38.3 | Very low | 215 Ų | 215 | 115.4 Ų | 115.4 | 81% | 0.811 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -86.4 | -17.5 | -175.3 | -77.8 | -178.7 | 168.7 | 179.8 | -3.8 | 113.9 | L262 | L262-R264 PolarHBondContact O-N 3.27Å |
| 265 | Q | 40.7 | Very low | 39.6 | Very low | 78 Ų | 78 | 111.3 Ų | 111.3 | 36% | 0.364 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -81.1 | -19.6 | -175.2 | -152.8 | 164.3 | 11.6 | 0 | 0 | 112.7 | L269 | Q265-L269 HydrophobicContact CG-CD1 4.45Å; Q265-L269 WeakPolarHBondContact O-CB 3.41Å; Q265-L269 PolarHBondContact O-N 3.42Å |
| 266 | V | 38.7 | Very low | 41.6 | Very low | 89 Ų | 89 | 106.6 Ų | 106.6 | 54% | 0.539 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.3 | -44.5 | -179.8 | -178.6 | 0 | 0 | 0 | 0 | 111.8 | F268 L269 E270 | V266-F268 PolarHBondContact O-N 2.83Å; V266-L269 PolarHBondContact O-N 2.99Å; V266-E270 PolarHBondContact O-N 3.41Å; V266-E270 VanDerWaalsContact O-N 3.08Å |
| 267 | E | 36.2 | Very low | 44 | Very low | 156 Ų | 156 | 103.2 Ų | 103.2 | 73% | 0.729 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.3 | -35.1 | -179 | -85.6 | 169.4 | 145.6 | 0 | 0 | 113.1 | E270 A271 | E267-E270 WeakPolarHBondContact O-CB 3.49Å; E267-E270 PolarHBondContact O-N 3.31Å; E267-A271 PolarHBondContact O-N 2.96Å |
| 268 | F | 36.3 | Very low | 46.7 | Very low | 103 Ų | 103 | 104.2 Ų | 104.2 | 45% | 0.452 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -74.1 | -36.8 | 175.9 | -175 | -94.9 | 0 | 0 | 0 | 112.6 | P248 V266 E270 A271 V272 | P248-F268 HydrophobicContact CB-CZ 4.04Å; V266-F268 PolarHBondContact O-N 2.83Å; F268-E270 PolarHBondContact O-N 3.17Å; F268-A271 PolarHBondContact O-N 2.87Å; F268-V272 HydrophobicContact CD1-CG2 4.22Å; F268-V272 HydrophobicContact CE1-CG2 3.67Å; F268-V272 HydrophobicContact CE2-CG2 4.45Å; F268-V272 HydrophobicContact CZ-CG2 3.81Å; F268-V272 PolarHBondContact O-N 2.99Å; F268-V272 VanDerWaalsContact O-N 3.13Å |
| 269 | L | 38.2 | Very low | 49.4 | Very low | 88 Ų | 88 | 103.2 Ų | 103.2 | 46% | 0.461 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.5 | -23.6 | 171.7 | -96 | 158.5 | 0 | 0 | 0 | 113 | F252 Q265 V266 R273 | F252-L269 HydrophobicContact CZ-CD2 4.32Å; Q265-L269 HydrophobicContact CG-CD1 4.45Å; Q265-L269 WeakPolarHBondContact O-CB 3.41Å; Q265-L269 PolarHBondContact O-N 3.42Å; V266-L269 PolarHBondContact O-N 2.99Å; L269-R273 VanDerWaalsContact O-CB 3.32Å; L269-R273 WeakPolarHBondContact O-CB 3.43Å; L269-R273 PolarHBondContact O-N 3.4Å |
| 270 | E | 38.7 | Very low | 52 | Low | 92 Ų | 92 | 106.4 Ų | 106.4 | 43% | 0.43 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -76.6 | -36.6 | 173 | -154.5 | 108.5 | -105.8 | 0 | 0 | 111.9 | V266 E267 F268 R273 | V266-E270 PolarHBondContact O-N 3.41Å; V266-E270 VanDerWaalsContact O-N 3.08Å; E267-E270 WeakPolarHBondContact O-CB 3.49Å; E267-E270 PolarHBondContact O-N 3.31Å; F268-E270 PolarHBondContact O-N 3.17Å; E270-R273 WeakPolarHBondContact O-CB 3.1Å; E270-R273 PolarHBondContact O-N 3.41Å; E270-R273 IonicContact OE1-NH1 3.5Å; E270-R273 PolarHBondContact OE1-NH1 2.61Å |
| 271 | A | 39.1 | Very low | 54.6 | Low | 65 Ų | 65 | 100.6 Ų | 100.6 | 54% | 0.537 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -71.3 | -45.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | E267 F268 R273 | E267-A271 PolarHBondContact O-N 2.96Å; F268-A271 PolarHBondContact O-N 2.87Å; A271-R273 PolarHBondContact O-N 2.9Å |
| 272 | V | 39.8 | Very low | 57.1 | Low | 44 Ų | 44 | 97.7 Ų | 97.7 | 27% | 0.267 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | -69.4 | -19.6 | 176.6 | 179.6 | 0 | 0 | 0 | 0 | 111.9 | P248 F268 Q274 | P248-V272 HydrophobicContact CB-CG2 4.18Å; F268-V272 HydrophobicContact CD1-CG2 4.22Å; F268-V272 HydrophobicContact CE1-CG2 3.67Å; F268-V272 HydrophobicContact CE2-CG2 4.45Å; F268-V272 HydrophobicContact CZ-CG2 3.81Å; F268-V272 PolarHBondContact O-N 2.99Å; F268-V272 VanDerWaalsContact O-N 3.13Å; V272-Q274 PolarHBondContact O-N 2.93Å |
| 273 | R | 46.5 | Very low | 59.9 | Low | 120 Ų | 120 | 93.5 Ų | 93.5 | 45% | 0.453 | 45% | 0.454 | S | S | . | . | G | 310 helix | trans | -63.3 | -22 | 179.1 | -130.1 | 174.5 | -179.2 | 177.4 | 5.3 | 114.7 | L269 E270 A271 | L269-R273 VanDerWaalsContact O-CB 3.32Å; L269-R273 WeakPolarHBondContact O-CB 3.43Å; L269-R273 PolarHBondContact O-N 3.4Å; E270-R273 WeakPolarHBondContact O-CB 3.1Å; E270-R273 PolarHBondContact O-N 3.41Å; E270-R273 IonicContact OE1-NH1 3.5Å; E270-R273 PolarHBondContact OE1-NH1 2.61Å; A271-R273 PolarHBondContact O-N 2.9Å |
| 274 | Q | 49.4 | Very low | 62.8 | Low | 151 Ų | 151 | 89.2 Ų | 89.2 | 71% | 0.706 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -99.4 | 1.1 | -169.1 | -64.5 | -177.4 | -0.7 | 0 | 0 | 114 | V272 V276 | V272-Q274 PolarHBondContact O-N 2.93Å; Q274-V276 VanDerWaalsContact C-N 3.32Å; Q274-V276 PolarHBondContact O-N 3.47Å |
| 275 | Q | 60.7 | Low | 65.6 | Low | 107 Ų | 107 | 79.6 Ų | 79.6 | 50% | 0.5 | 39% | 0.393 | S | S | . | . | trans | -77.4 | 82.4 | -177.5 | -162.9 | 170.4 | 41 | 0 | 0 | 111.6 | Q277 | Q275-Q277 PolarHBondContact O-N 3.34Š| ||
| 276 | V | 75.4 | Confident | 68.2 | Low | 65 Ų | 65 | 79.6 Ų | 79.6 | 39% | 0.394 | 40% | 0.395 | S | S | . | . | trans | -61.7 | 119.9 | 167 | -179.1 | 0 | 0 | 0 | 0 | 108.5 | Q274 H320 | Q274-V276 VanDerWaalsContact C-N 3.32Å; Q274-V276 PolarHBondContact O-N 3.47Å; V276-H320 HydrophobicContact CG1-CB 3.6Å | ||
| 277 | Q | 86.3 | Confident | 70.9 | Confident | 54 Ų | 54 | 77.9 Ų | 77.9 | 25% | 0.252 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 134.5 | 172.8 | -59.3 | 176.2 | 134.5 | 0 | 0 | 108 | Q275 F279 H320 I321 | Q275-Q277 PolarHBondContact O-N 3.34Å; Q277-F279 HydrophobicContact CB-CE2 3.63Å; Q277-F279 HydrophobicContact CB-CZ 4.03Å; Q277-H320 CarbonylContact O-C 3.54Å; Q277-H320 WeakPolarHBondContact O-CA 2.87Å; Q277-I321 HydrophobicContact CB-CB 4.45Å; Q277-I321 PolarHBondContact N-O 2.83Å; Q277-I321 PolarHBondContact O-N 3.11Å |
| 278 | K | 91.4 | Very high | 73.8 | Confident | 128 Ų | 128 | 75 Ų | 75 | 56% | 0.557 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 134.1 | -178.3 | -57.7 | -164.4 | 172.6 | -163.2 | 0 | 109.5 | V318 I319 H320 | K278-V318 HydrophobicContact CB-CG1 3.91Å; K278-V318 HydrophobicContact CD-CG1 4.42Å; K278-I319 WeakPolarHBondContact CA-O 3.39Å; K278-H320 VanDerWaalsContact CD-NE2 3.32Å; K278-H320 WeakPolarHBondContact CD-NE2 2.89Å; K278-H320 WeakPolarHBondContact CE-NE2 3.29Å; K278-H320 PolarHBondContact NZ-NE2 2.85Å |
| 279 | F | 92.3 | Very high | 76.5 | Confident | 44 Ų | 44 | 71 Ų | 71 | 19% | 0.193 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 131.7 | 174.9 | -54.5 | -89.4 | 0 | 0 | 0 | 109.5 | Q277 V318 I319 I321 I382 A386 | Q277-F279 HydrophobicContact CB-CE2 3.63Å; Q277-F279 HydrophobicContact CB-CZ 4.03Å; F279-V318 CarbonylContact O-C 3.4Å; F279-V318 WeakPolarHBondContact O-CA 3.3Å; F279-I319 HydrophobicContact CB-CG2 3.79Å; F279-I319 HydrophobicContact CD2-CG2 4.34Å; F279-I319 PolarHBondContact N-O 2.83Å; F279-I319 PolarHBondContact O-N 3.02Å; F279-I321 HydrophobicContact CD2-CD1 3.83Å; F279-I321 HydrophobicContact CD2-CG1 4.34Å; F279-I321 HydrophobicContact CE2-CD1 3.76Å; F279-I321 HydrophobicContact CE2-CG1 4.35Å; F279-I382 HydrophobicContact CE1-CG2 3.73Å; F279-I382 HydrophobicContact CZ-CG2 4.44Å; F279-A386 HydrophobicContact CE2-CB 3.74Å; F279-A386 HydrophobicContact CZ-CB 3.68Å |
| 280 | E | 93.8 | Very high | 78.8 | Confident | 171 Ų | 171 | 72 Ų | 72 | 80% | 0.799 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 129 | 172.2 | -66.3 | 177.4 | -172.9 | 0 | 0 | 108.9 | V318 | E280-V318 HydrophobicContact CG-CG2 4.48Å |
| 281 | V | 94.8 | Very high | 81.1 | Confident | 11 Ų | 11 | 73.1 Ų | 73.1 | 7% | 0.067 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 160 | -177.5 | -66.1 | 0 | 0 | 0 | 0 | 109.9 | T317 I319 L328 F374 W375 I383 | V281-T317 PolarHBondContact N-O 2.97Å; V281-T317 PolarHBondContact O-N 3.1Å; V281-T317 PolarHBondContact O-OG1 3.09Å; V281-I319 HydrophobicContact CG1-CG2 4.12Å; V281-I319 HydrophobicContact CG2-CB 4.27Å; V281-I319 HydrophobicContact CG2-CG2 4.16Å; V281-L328 HydrophobicContact CG2-CD1 4.25Å; V281-F374 HydrophobicContact CB-CB 4.36Å; V281-F374 HydrophobicContact CG2-CD1 3.98Å; V281-W375 WeakPolarHBondContact CA-O 3.41Å; V281-W375 WeakPolarHBondContact CB-O 3.27Å; V281-I383 HydrophobicContact CG1-CD1 3.94Å |
| 282 | Q | 95.1 | Very high | 83 | Confident | 57 Ų | 57 | 70.6 Ų | 70.6 | 27% | 0.266 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 122.8 | 164.5 | -44.2 | -175.3 | -79.6 | 0 | 0 | 108.3 | I284 W314 E315 F374 W375 | Q282-I284 PolarHBondContact O-N 2.8Å; Q282-W314 HydrophobicContact CB-CB 4.04Å; Q282-W314 HydrophobicContact CB-CE3 4.33Å; Q282-E315 CarbonylContact C-O 3.59Å; Q282-E315 WeakPolarHBondContact CA-O 3.39Å; Q282-F374 CarbonylContact O-C 3.54Å; Q282-F374 WeakPolarHBondContact O-CA 3.41Å; Q282-W375 HydrophobicContact CB-CB 4.13Å; Q282-W375 PolarHBondContact N-O 2.78Å; Q282-W375 PolarHBondContact O-N 3.41Å |
| 283 | Y | 95.5 | Very high | 85 | Confident | 27 Ų | 27 | 72 Ų | 72 | 11% | 0.106 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 117.1 | 177 | 178.4 | -118.7 | 0 | 0 | 0 | 109.3 | G285 N286 E315 T317 L328 L338 H372 V373 F374 | Y283-G285 VanDerWaalsContact CE2-O 3.27Å; Y283-G285 WeakPolarHBondContact CE2-O 3.21Å; Y283-N286 PolarHBondContact OH-ND2 3.05Å; Y283-E315 PolarHBondContact N-O 3.21Å; Y283-E315 PolarHBondContact O-N 3.46Å; Y283-T317 WeakPolarHBondContact CB-OG1 3.43Å; Y283-L328 HydrophobicContact CD1-CD2 4.06Å; Y283-L328 HydrophobicContact CD2-CD2 3.79Å; Y283-L328 HydrophobicContact CE1-CD2 4.5Å; Y283-L328 HydrophobicContact CE2-CD2 4.25Å; Y283-L328 HydrophobicContact CG-CD2 3.66Å; Y283-L338 HydrophobicContact CD1-CD2 4.26Å; Y283-L338 HydrophobicContact CE1-CD2 4.45Å; Y283-H372 HydrophobicContact CE2-CB 4.3Å; Y283-H372 PolarHBondContact OH-ND1 3.43Å; Y283-V373 WeakPolarHBondContact CD2-O 3.48Å; Y283-F374 AromaticContact CD2-CD1 3.84Å; Y283-F374 HydrophobicContact CD2-CD1 3.84Å; Y283-F374 AromaticContact CD2-CE1 3.58Å; Y283-F374 HydrophobicContact CD2-CE1 3.58Å; Y283-F374 HydrophobicContact CD2-CZ 4.3Å; Y283-F374 HydrophobicContact CE2-CE1 4.16Å; Y283-F374 HydrophobicContact CE2-CZ 4.46Å |
| 284 | I | 95.1 | Very high | 86.5 | Confident | 8 Ų | 8 | 67.2 Ų | 67.2 | 4% | 0.041 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -35.2 | -175.5 | -42.9 | -170.6 | 0 | 0 | 0 | 110.4 | Q282 I305 M306 W314 V373 W375 | Q282-I284 PolarHBondContact O-N 2.8Å; I284-I305 HydrophobicContact CB-CG2 4.19Å; I284-I305 HydrophobicContact CG2-CG2 3.66Å; I284-M306 HydrophobicContact CD1-CG 4.31Å; I284-M306 HydrophobicContact CG2-CG 4.48Å; I284-W314 HydrophobicContact CD1-CH2 4.21Å; I284-W314 HydrophobicContact CD1-CZ2 4.18Å; I284-W314 HydrophobicContact CD1-CZ3 4.44Å; I284-W314 HydrophobicContact CG1-CD2 4.25Å; I284-W314 HydrophobicContact CG2-CD2 4.36Å; I284-W314 HydrophobicContact CG2-CG 4.44Å; I284-W314 HydrophobicContact CG2-CZ2 4.24Å; I284-V373 HydrophobicContact CB-CG1 4.46Å; I284-V373 HydrophobicContact CD1-CG1 3.93Å; I284-V373 HydrophobicContact CG1-CG1 4.37Å; I284-V373 PolarHBondContact N-O 2.74Å; I284-W375 HydrophobicContact CD1-CB 4.08Å; I284-W375 HydrophobicContact CG1-CB 4.31Å |
| 285 | G | 94.8 | Very high | 88.1 | Confident | 14 Ų | 14 | 63.9 Ų | 63.9 | 14% | 0.144 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 149 | -165.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y283 V373 | Y283-G285 VanDerWaalsContact CE2-O 3.27Å; Y283-G285 WeakPolarHBondContact CE2-O 3.21Å; G285-V373 PolarHBondContact O-N 3.45Å |
| 286 | N | 95 | Very high | 89.2 | Confident | 77 Ų | 77 | 64.9 Ų | 64.9 | 41% | 0.412 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 161.9 | 173 | 64.5 | 58.1 | 0 | 0 | 0 | 112.3 | Y283 C371 | Y283-N286 PolarHBondContact OH-ND2 3.05Å; N286-C371 CarbonylContact C-O 3.49Å; N286-C371 WeakPolarHBondContact CA-O 3.24Å; N286-C371 WeakPolarHBondContact CB-O 3.3Å |
| 287 | L | 95.8 | Very high | 89.6 | Confident | 53 Ų | 53 | 62.2 Ų | 62.2 | 28% | 0.277 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 133.7 | 174.9 | -170.8 | 78.1 | 0 | 0 | 0 | 110 | V289 A301 I305 C371 | L287-V289 PolarHBondContact O-N 2.97Å; L287-A301 HydrophobicContact CB-CB 4.46Å; L287-A301 HydrophobicContact CD2-CB 4.02Å; L287-I305 HydrophobicContact CB-CD1 3.82Å; L287-I305 HydrophobicContact CB-CG1 3.97Å; L287-C371 PolarHBondContact N-O 3.15Å; L287-C371 PolarHBondContact O-N 3.27Å |
| 288 | P | 95.4 | Very high | 89.7 | Confident | 95 Ų | 95 | 59.7 Ų | 59.7 | 62% | 0.617 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 133.2 | 171 | 27.9 | -34.3 | 0 | 0 | 0 | 110.6 | F369 | P288-F369 CarbonylContact C-O 3.59Å; P288-F369 WeakPolarHBondContact CA-O 3.47Å |
| 289 | V | 94.4 | Very high | 89.6 | Confident | 21 Ų | 21 | 54.3 Ų | 54.3 | 13% | 0.127 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 150.9 | -178 | -64.3 | 0 | 0 | 0 | 0 | 111.8 | L287 R291 V297 A301 I361 F369 C371 | L287-V289 PolarHBondContact O-N 2.97Å; V289-R291 VanDerWaalsContact C-N 3.34Å; V289-R291 PolarHBondContact O-N 2.95Å; V289-V297 HydrophobicContact CB-CG1 3.7Å; V289-V297 HydrophobicContact CG1-CG1 3.98Å; V289-V297 HydrophobicContact CG2-CG1 4.17Å; V289-A301 HydrophobicContact CG1-CB 3.96Å; V289-I361 HydrophobicContact CG2-CD1 4.32Å; V289-I361 HydrophobicContact CG2-CG2 3.66Å; V289-F369 HydrophobicContact CG2-CB 3.61Å; V289-F369 PolarHBondContact N-O 3.02Å; V289-C371 HydrophobicContact CG1-CB 3.72Å; V289-C371 HydrophobicContact CG2-CB 4.35Å |
| 290 | S | 86.7 | Confident | 89.6 | Confident | 108 Ų | 108 | 61.3 Ų | 61.3 | 76% | 0.755 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -84.4 | -4.1 | -173.1 | 56.1 | 0 | 0 | 0 | 0 | 114.8 | ||
| 291 | R | 85.8 | Confident | 89.6 | Confident | 116 Ų | 116 | 53.3 Ų | 53.3 | 44% | 0.438 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -145.8 | 145.7 | -175 | -72.9 | -174.5 | -74.2 | 174.7 | -2.3 | 110.6 | V289 M293 E296 V297 | V289-R291 VanDerWaalsContact C-N 3.34Å; V289-R291 PolarHBondContact O-N 2.95Å; R291-M293 VanDerWaalsContact C-N 3.25Å; R291-M293 PolarHBondContact O-N 3.08Å; R291-E296 IonicContact CZ-OE1 2.64Å; R291-E296 IonicContact NH1-OE1 3.59Å; R291-E296 PolarHBondContact NH1-OE1 2.65Å; R291-E296 IonicContact NH2-OE1 3.71Å; R291-E296 PolarHBondContact NH2-OE1 3.2Å; R291-V297 HydrophobicContact CB-CG2 4.05Å; R291-V297 VanDerWaalsContact CZ-CG2 3.48Å; R291-V297 VanDerWaalsContact NH2-CG2 3.28Å |
| 292 | A | 78.4 | Confident | 89.5 | Confident | 12 Ų | 12 | 53.1 Ų | 53.1 | 10% | 0.099 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -64.9 | -22.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y6 T347 F348 F369 | Y6-A292 HydrophobicContact CD1-CB 4.14Å; Y6-A292 HydrophobicContact CE1-CB 3.77Å; A292-T347 HydrophobicContact CB-CG2 4.41Å; A292-T347 CarbonylContact O-C 3.58Å; A292-T347 VanDerWaalsContact O-CB 3.31Å; A292-T347 WeakPolarHBondContact O-CB 3.42Å; A292-T347 PolarHBondContact O-OG1 3.05Å; A292-F348 WeakPolarHBondContact O-CB 3.18Å; A292-F369 HydrophobicContact CB-CD1 3.98Å; A292-F369 HydrophobicContact CB-CD2 4.46Å; A292-F369 HydrophobicContact CB-CE1 3.5Å; A292-F369 HydrophobicContact CB-CE2 4.04Å; A292-F369 HydrophobicContact CB-CG 4.43Å; A292-F369 HydrophobicContact CB-CZ 3.54Å |
| 293 | M | 83.5 | Confident | 89.4 | Confident | 72 Ų | 72 | 54.9 Ų | 54.9 | 36% | 0.355 | 28% | 0.283 | S | S | . | . | trans | -157.1 | 161.7 | -167.3 | 63.3 | -176.3 | -66.8 | 0 | 0 | 113.4 | A9 V13 R291 F348 | A9-M293 HydrophobicContact CB-CE 3.9Å; A9-M293 HydrophobicContact CB-SD 3.82Å; V13-M293 HydrophobicContact CG2-CE 3.49Å; V13-M293 VanDerWaalsContact CG2-CE 3.49Å; R291-M293 VanDerWaalsContact C-N 3.25Å; R291-M293 PolarHBondContact O-N 3.08Å; M293-F348 HydrophobicContact CB-CB 4.12Å; M293-F348 HydrophobicContact CB-CD2 3.76Å; M293-F348 HydrophobicContact CB-CE2 4.44Å; M293-F348 HydrophobicContact CB-CG 4.04Å | ||
| 294 | G | 77.6 | Confident | 89.5 | Confident | 20 Ų | 20 | 56.3 Ų | 56.3 | 21% | 0.206 | 30% | 0.297 | C | S | . | . | trans | 118.7 | 131.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E296 V297 L298 F348 | G294-E296 PolarHBondContact O-N 2.75Å; G294-V297 WeakPolarHBondContact O-CB 3.37Å; G294-V297 PolarHBondContact O-N 2.81Å; G294-L298 PolarHBondContact O-N 2.94Å; G294-L298 VanDerWaalsContact O-N 3.13Å; G294-F348 VanDerWaalsContact C-CE1 3.46Å | ||
| 295 | M | 82.6 | Confident | 89.5 | Confident | 82 Ų | 82 | 56.1 Ų | 56.1 | 40% | 0.404 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.3 | -35.2 | -178.6 | -65 | -58.6 | -70.9 | 0 | 0 | 112.7 | V297 L298 N299 F348 V351 | M295-V297 VanDerWaalsContact C-N 3.26Å; M295-V297 PolarHBondContact O-N 3.06Å; M295-L298 HydrophobicContact CE-CD2 4.36Å; M295-L298 PolarHBondContact O-N 3.41Å; M295-N299 WeakPolarHBondContact O-CB 3.33Å; M295-N299 PolarHBondContact O-N 3.05Å; M295-F348 HydrophobicContact CG-CE1 4.33Å; M295-F348 HydrophobicContact CG-CZ 4.05Å; M295-F348 HydrophobicContact SD-CE1 3.61Å; M295-F348 HydrophobicContact SD-CZ 3.61Å; M295-V351 VanDerWaalsContact CE-O 3.22Å; M295-V351 WeakPolarHBondContact CE-O 3.34Å |
| 296 | E | 84 | Confident | 89.3 | Confident | 127 Ų | 127 | 58.4 Ų | 58.4 | 59% | 0.593 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -64.3 | -25.8 | 174.9 | 60.2 | 177.3 | -156.2 | 0 | 0 | 114.1 | R291 G294 R300 | R291-E296 IonicContact CZ-OE1 2.64Å; R291-E296 IonicContact NH1-OE1 3.59Å; R291-E296 PolarHBondContact NH1-OE1 2.65Å; R291-E296 IonicContact NH2-OE1 3.71Å; R291-E296 PolarHBondContact NH2-OE1 3.2Å; G294-E296 PolarHBondContact O-N 2.75Å; E296-R300 VanDerWaalsContact O-CB 3.24Å; E296-R300 WeakPolarHBondContact O-CB 3.43Å |
| 297 | V | 84.3 | Confident | 89.2 | Confident | 10 Ų | 10 | 61.6 Ų | 61.6 | 6% | 0.061 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -80.8 | -45 | 175.6 | -178 | 0 | 0 | 0 | 0 | 109.5 | V289 R291 G294 M295 A301 I361 | V289-V297 HydrophobicContact CB-CG1 3.7Å; V289-V297 HydrophobicContact CG1-CG1 3.98Å; V289-V297 HydrophobicContact CG2-CG1 4.17Å; R291-V297 HydrophobicContact CB-CG2 4.05Å; R291-V297 VanDerWaalsContact CZ-CG2 3.48Å; R291-V297 VanDerWaalsContact NH2-CG2 3.28Å; G294-V297 WeakPolarHBondContact O-CB 3.37Å; G294-V297 PolarHBondContact O-N 2.81Å; M295-V297 VanDerWaalsContact C-N 3.26Å; M295-V297 PolarHBondContact O-N 3.06Å; V297-A301 PolarHBondContact O-N 2.82Å; V297-A301 VanDerWaalsContact O-N 3.09Å; V297-I361 HydrophobicContact CG1-CD1 4.2Å |
| 298 | L | 88.4 | Confident | 89 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.1 | -53.4 | 179.9 | -178.2 | 142.1 | 0 | 0 | 0 | 111.5 | G294 M295 R300 A301 I302 F348 A359 I361 | G294-L298 PolarHBondContact O-N 2.94Å; G294-L298 VanDerWaalsContact O-N 3.13Å; M295-L298 HydrophobicContact CE-CD2 4.36Å; M295-L298 PolarHBondContact O-N 3.41Å; L298-R300 VanDerWaalsContact C-N 3.33Å; L298-R300 PolarHBondContact O-N 2.81Å; L298-A301 WeakPolarHBondContact O-CB 3.35Å; L298-A301 PolarHBondContact O-N 3.06Å; L298-I302 HydrophobicContact CD2-CD1 3.57Å; L298-I302 HydrophobicContact CD2-CG1 4.48Å; L298-I302 HydrophobicContact CG-CD1 4.32Å; L298-I302 WeakPolarHBondContact O-CG1 3.2Å; L298-I302 PolarHBondContact O-N 3.47Å; L298-F348 HydrophobicContact CB-CD1 4.26Å; L298-F348 HydrophobicContact CB-CE1 4.19Å; L298-F348 HydrophobicContact CD1-CD1 3.72Å; L298-F348 HydrophobicContact CD1-CE1 3.94Å; L298-A359 HydrophobicContact CD1-CB 3.86Å; L298-A359 HydrophobicContact CD2-CB 4.14Å; L298-A359 HydrophobicContact CG-CB 3.8Å; L298-I361 HydrophobicContact CB-CD1 4.45Å |
| 299 | N | 89.3 | Confident | 88.7 | Confident | 16 Ų | 16 | 60.5 Ų | 60.5 | 9% | 0.086 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.1 | -39.1 | 179.4 | -70.6 | -16.2 | 0 | 0 | 0 | 112 | M295 A301 I302 E303 G352 H353 | M295-N299 WeakPolarHBondContact O-CB 3.33Å; M295-N299 PolarHBondContact O-N 3.05Å; N299-A301 VanDerWaalsContact C-N 3.3Å; N299-A301 PolarHBondContact O-N 3.45Å; N299-I302 PolarHBondContact O-N 2.84Å; N299-E303 WeakPolarHBondContact O-CB 3.43Å; N299-E303 VanDerWaalsContact O-CG 3.32Å; N299-E303 WeakPolarHBondContact O-CG 3.39Å; N299-E303 PolarHBondContact O-N 2.93Å; N299-G352 WeakPolarHBondContact OD1-CA 3.5Å; N299-H353 PolarHBondContact ND2-CD2 3.29Å; N299-H353 VanDerWaalsContact ND2-CD2 3.27Å; N299-H353 PolarHBondContact ND2-NE2 3.45Å |
| 300 | R | 91.2 | Very high | 88.4 | Confident | 191 Ų | 191 | 65.4 Ų | 65.4 | 72% | 0.721 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -63.5 | -34.8 | 174.3 | -177.1 | 176.9 | 177.6 | -178.9 | 0 | 112.7 | E296 L298 S304 | E296-R300 VanDerWaalsContact O-CB 3.24Å; E296-R300 WeakPolarHBondContact O-CB 3.43Å; L298-R300 VanDerWaalsContact C-N 3.33Å; L298-R300 PolarHBondContact O-N 2.81Å; R300-S304 VanDerWaalsContact O-CB 3.27Å; R300-S304 WeakPolarHBondContact O-CB 3.4Å; R300-S304 PolarHBondContact O-N 3.5Å |
| 301 | A | 93.9 | Very high | 88.2 | Confident | 2 Ų | 2 | 67.2 Ų | 67.2 | 2% | 0.017 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -70.4 | -44.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L287 V289 V297 L298 N299 S304 I305 C371 | L287-A301 HydrophobicContact CB-CB 4.46Å; L287-A301 HydrophobicContact CD2-CB 4.02Å; V289-A301 HydrophobicContact CG1-CB 3.96Å; V297-A301 PolarHBondContact O-N 2.82Å; V297-A301 VanDerWaalsContact O-N 3.09Å; L298-A301 WeakPolarHBondContact O-CB 3.35Å; L298-A301 PolarHBondContact O-N 3.06Å; N299-A301 VanDerWaalsContact C-N 3.3Å; N299-A301 PolarHBondContact O-N 3.45Å; A301-S304 PolarHBondContact O-N 3.16Å; A301-I305 WeakPolarHBondContact O-CD1 3.32Å; A301-I305 VanDerWaalsContact O-CG1 3.29Å; A301-I305 WeakPolarHBondContact O-CG1 3.43Å; A301-I305 PolarHBondContact O-N 2.83Å; A301-C371 HydrophobicContact CB-CB 3.85Å |
| 302 | I | 92.6 | Very high | 88.1 | Confident | 8 Ų | 8 | 69.4 Ų | 69.4 | 4% | 0.041 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -55.3 | -55.2 | 173.5 | -64.6 | 173.2 | 0 | 0 | 0 | 110.4 | L298 N299 S304 I305 M306 T357 A359 V373 | L298-I302 HydrophobicContact CD2-CD1 3.57Å; L298-I302 HydrophobicContact CD2-CG1 4.48Å; L298-I302 HydrophobicContact CG-CD1 4.32Å; L298-I302 WeakPolarHBondContact O-CG1 3.2Å; L298-I302 PolarHBondContact O-N 3.47Å; N299-I302 PolarHBondContact O-N 2.84Å; I302-S304 VanDerWaalsContact C-N 3.29Å; I302-S304 PolarHBondContact O-N 3.45Å; I302-I305 PolarHBondContact O-N 3.49Å; I302-M306 HydrophobicContact CG2-CG 4.19Å; I302-M306 HydrophobicContact CG2-SD 3.6Å; I302-M306 WeakPolarHBondContact O-CB 3.04Å; I302-M306 WeakPolarHBondContact O-CG 3.28Å; I302-M306 PolarHBondContact O-N 2.93Å; I302-T357 HydrophobicContact CG2-CG2 4.19Å; I302-A359 HydrophobicContact CD1-CB 3.85Å; I302-A359 HydrophobicContact CG1-CB 3.96Å; I302-V373 HydrophobicContact CB-CG1 4.45Å; I302-V373 HydrophobicContact CG1-CG1 3.88Å; I302-V373 HydrophobicContact CG1-CG2 3.84Å; I302-V373 HydrophobicContact CG2-CG1 4.31Å |
| 303 | E | 94.1 | Very high | 88.5 | Confident | 93 Ų | 93 | 74.1 Ų | 74.1 | 44% | 0.435 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -57.4 | -41.2 | 178.4 | -72.9 | 170.7 | -168.8 | 0 | 0 | 111.8 | N299 N307 H353 | N299-E303 WeakPolarHBondContact O-CB 3.43Å; N299-E303 VanDerWaalsContact O-CG 3.32Å; N299-E303 WeakPolarHBondContact O-CG 3.39Å; N299-E303 PolarHBondContact O-N 2.93Å; E303-N307 VanDerWaalsContact O-CB 3.31Å; E303-N307 WeakPolarHBondContact O-CB 3.32Å; E303-N307 VanDerWaalsContact O-CG 3.28Å; E303-N307 PolarHBondContact O-N 2.69Å; E303-N307 VanDerWaalsContact O-N 3.11Å; E303-N307 PolarHBondContact O-ND2 3.3Å; E303-H353 IonicContact OE1-CE1 2.68Å; E303-H353 IonicContact OE1-ND1 3.44Å; E303-H353 PolarHBondContact OE1-ND1 3.41Å |
| 304 | S | 95.8 | Very high | 89 | Confident | 58 Ų | 58 | 71.3 Ų | 71.3 | 41% | 0.406 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.6 | -38.7 | 179.1 | -171.2 | 0 | 0 | 0 | 0 | 113 | R300 A301 I302 S308 | R300-S304 VanDerWaalsContact O-CB 3.27Å; R300-S304 WeakPolarHBondContact O-CB 3.4Å; R300-S304 PolarHBondContact O-N 3.5Å; A301-S304 PolarHBondContact O-N 3.16Å; I302-S304 VanDerWaalsContact C-N 3.29Å; I302-S304 PolarHBondContact O-N 3.45Å; S304-S308 PolarHBondContact O-N 3.49Å; S304-S308 PolarHBondContact O-OG 3.16Å |
| 305 | I | 95.2 | Very high | 89.5 | Confident | 4 Ų | 4 | 73.7 Ų | 73.7 | 2% | 0.021 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -76 | -44.5 | -179.5 | -64.3 | 161.6 | 0 | 0 | 0 | 110.2 | I284 L287 A301 I302 N307 S308 T309 V373 | I284-I305 HydrophobicContact CB-CG2 4.19Å; I284-I305 HydrophobicContact CG2-CG2 3.66Å; L287-I305 HydrophobicContact CB-CD1 3.82Å; L287-I305 HydrophobicContact CB-CG1 3.97Å; A301-I305 WeakPolarHBondContact O-CD1 3.32Å; A301-I305 VanDerWaalsContact O-CG1 3.29Å; A301-I305 WeakPolarHBondContact O-CG1 3.43Å; A301-I305 PolarHBondContact O-N 2.83Å; I302-I305 PolarHBondContact O-N 3.49Å; I305-N307 PolarHBondContact O-N 3.39Å; I305-S308 WeakPolarHBondContact CA-OG 2.91Å; I305-S308 PolarHBondContact O-N 3.13Å; I305-S308 PolarHBondContact O-OG 3.21Å; I305-T309 PolarHBondContact O-N 2.85Å; I305-T309 PolarHBondContact O-OG1 2.91Å; I305-V373 HydrophobicContact CD1-CB 4.17Å; I305-V373 HydrophobicContact CD1-CG2 3.54Å |
| 306 | M | 92.2 | Very high | 90 | Very high | 62 Ų | 62 | 74.4 Ų | 74.4 | 31% | 0.305 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.6 | -27.9 | 178.5 | -68.7 | -175.5 | 78.6 | 0 | 0 | 113.1 | I284 I302 W314 T357 W375 | I284-M306 HydrophobicContact CD1-CG 4.31Å; I284-M306 HydrophobicContact CG2-CG 4.48Å; I302-M306 HydrophobicContact CG2-CG 4.19Å; I302-M306 HydrophobicContact CG2-SD 3.6Å; I302-M306 WeakPolarHBondContact O-CB 3.04Å; I302-M306 WeakPolarHBondContact O-CG 3.28Å; I302-M306 PolarHBondContact O-N 2.93Å; M306-W314 HydrophobicContact CE-CH2 4.11Å; M306-W314 HydrophobicContact CE-CZ2 4.28Å; M306-T357 HydrophobicContact CE-CG2 4.23Å; M306-T357 HydrophobicContact SD-CG2 3.77Å; M306-W375 HydrophobicContact CE-CE3 4.29Å; M306-W375 HydrophobicContact CE-CZ3 3.87Å |
| 307 | N | 92.9 | Very high | 90.5 | Very high | 143 Ų | 143 | 68.6 Ų | 68.6 | 77% | 0.765 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -10.7 | 173.1 | -73.4 | -52.3 | 0 | 0 | 0 | 113.9 | E303 I305 | E303-N307 VanDerWaalsContact O-CB 3.31Å; E303-N307 WeakPolarHBondContact O-CB 3.32Å; E303-N307 VanDerWaalsContact O-CG 3.28Å; E303-N307 PolarHBondContact O-N 2.69Å; E303-N307 VanDerWaalsContact O-N 3.11Å; E303-N307 PolarHBondContact O-ND2 3.3Å; I305-N307 PolarHBondContact O-N 3.39Å |
| 308 | S | 91 | Very high | 90.9 | Very high | 90 Ų | 90 | 69.3 Ų | 69.3 | 63% | 0.629 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.9 | -16.3 | 178.7 | 64.4 | 0 | 0 | 0 | 0 | 114.6 | S304 I305 | S304-S308 PolarHBondContact O-N 3.49Å; S304-S308 PolarHBondContact O-OG 3.16Å; I305-S308 WeakPolarHBondContact CA-OG 2.91Å; I305-S308 PolarHBondContact O-N 3.13Å; I305-S308 PolarHBondContact O-OG 3.21Å |
| 309 | T | 88.3 | Confident | 91.2 | Very high | 35 Ų | 35 | 69.3 Ų | 69.3 | 22% | 0.215 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -129.2 | 114.9 | -170.2 | -48.4 | 0 | 0 | 0 | 0 | 110.4 | I305 D313 W314 | I305-T309 PolarHBondContact O-N 2.85Å; I305-T309 PolarHBondContact O-OG1 2.91Å; T309-D313 HydrophobicContact CG2-CB 3.86Å; T309-W314 PolarHBondContact O-NE1 3.25Å |
| 310 | D | 88.3 | Confident | 91.4 | Very high | 125 Ų | 125 | 69.8 Ų | 69.8 | 67% | 0.668 | 36% | 0.359 | S | S | * | . | trans | -66.8 | 153.6 | 176.1 | -77.7 | -53.6 | 0 | 0 | 0 | 111.5 | D312 D313 W314 | D310-D312 PolarHBondContact O-N 3.34Å; D310-D312 VanDerWaalsContact O-N 3.15Å; D310-D313 PolarHBondContact O-N 3.37Å; D310-W314 PolarHBondContact O-NE1 2.95Å | ||
| 311 | R | 82.4 | Confident | 91.4 | Very high | 145 Ų | 145 | 60.8 Ų | 60.8 | 55% | 0.547 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -60.6 | -26.5 | -176.1 | -69.6 | -165.4 | 72 | -167.2 | 3.9 | 114.2 | D313 W314 | R311-D313 VanDerWaalsContact C-N 3.25Å; R311-D313 PolarHBondContact O-N 3.1Å; R311-W314 HydrophobicContact CB-CD2 4.45Å; R311-W314 HydrophobicContact CG-CD2 4.39Å; R311-W314 HydrophobicContact CG-CE3 4.46Å; R311-W314 HydrophobicContact CG-CH2 3.84Å; R311-W314 HydrophobicContact CG-CZ2 3.71Å; R311-W314 HydrophobicContact CG-CZ3 4.2Å; R311-W314 PolarHBondContact O-N 3.09Å |
| 312 | D | 85 | Confident | 91 | Very high | 162 Ų | 162 | 62 Ų | 62 | 87% | 0.866 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -73.2 | -18.5 | 179.4 | -65 | -31.2 | 0 | 0 | 0 | 112.5 | D310 | D310-D312 PolarHBondContact O-N 3.34Å; D310-D312 VanDerWaalsContact O-N 3.15Å |
| 313 | D | 86.9 | Confident | 90.3 | Very high | 111 Ų | 111 | 62.9 Ų | 62.9 | 59% | 0.594 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -90.6 | -3.8 | 177.4 | -67.4 | -40.4 | 0 | 0 | 0 | 113.2 | T309 D310 R311 E315 | T309-D313 HydrophobicContact CG2-CB 3.86Å; D310-D313 PolarHBondContact O-N 3.37Å; R311-D313 VanDerWaalsContact C-N 3.25Å; R311-D313 PolarHBondContact O-N 3.1Å; D313-E315 PolarHBondContact O-N 2.82Å |
| 314 | W | 92.3 | Very high | 89.7 | Confident | 14 Ų | 14 | 65 Ų | 65 | 5% | 0.053 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 121.5 | -176.7 | -62.6 | 3.7 | 0 | 0 | 0 | 111.2 | Q282 I284 M306 T309 D310 R311 P316 W375 | Q282-W314 HydrophobicContact CB-CB 4.04Å; Q282-W314 HydrophobicContact CB-CE3 4.33Å; I284-W314 HydrophobicContact CD1-CH2 4.21Å; I284-W314 HydrophobicContact CD1-CZ2 4.18Å; I284-W314 HydrophobicContact CD1-CZ3 4.44Å; I284-W314 HydrophobicContact CG1-CD2 4.25Å; I284-W314 HydrophobicContact CG2-CD2 4.36Å; I284-W314 HydrophobicContact CG2-CG 4.44Å; I284-W314 HydrophobicContact CG2-CZ2 4.24Å; M306-W314 HydrophobicContact CE-CH2 4.11Å; M306-W314 HydrophobicContact CE-CZ2 4.28Å; T309-W314 PolarHBondContact O-NE1 3.25Å; D310-W314 PolarHBondContact O-NE1 2.95Å; R311-W314 HydrophobicContact CB-CD2 4.45Å; R311-W314 HydrophobicContact CG-CD2 4.39Å; R311-W314 HydrophobicContact CG-CE3 4.46Å; R311-W314 HydrophobicContact CG-CH2 3.84Å; R311-W314 HydrophobicContact CG-CZ2 3.71Å; R311-W314 HydrophobicContact CG-CZ3 4.2Å; R311-W314 PolarHBondContact O-N 3.09Å; W314-P316 WeakPolarHBondContact O-CD 3.48Å; W314-W375 HydrophobicContact CE3-CB 3.99Å; W314-W375 HydrophobicContact CE3-CG 4.17Å; W314-W375 HydrophobicContact CH2-CD2 4.03Å; W314-W375 AromaticContact CH2-CE3 3.66Å; W314-W375 HydrophobicContact CH2-CE3 3.66Å; W314-W375 HydrophobicContact CH2-CG 4.47Å; W314-W375 HydrophobicContact CH2-CZ3 4.17Å; W314-W375 HydrophobicContact CZ3-CB 3.77Å; W314-W375 AromaticContact CZ3-CD2 3.52Å; W314-W375 HydrophobicContact CZ3-CD2 3.52Å; W314-W375 AromaticContact CZ3-CE3 3.66Å; W314-W375 HydrophobicContact CZ3-CE3 3.66Å; W314-W375 AromaticContact CZ3-CG 3.57Å; W314-W375 HydrophobicContact CZ3-CG 3.57Å; W314-W375 HydrophobicContact CZ3-CZ3 4.47Å |
| 315 | E | 89.8 | Confident | 89.4 | Confident | 69 Ų | 69 | 63.7 Ų | 63.7 | 32% | 0.322 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 118.4 | -171.8 | -61 | -144.6 | 130.7 | 0 | 0 | 112.3 | Q282 Y283 D313 T317 K330 | Q282-E315 CarbonylContact C-O 3.59Å; Q282-E315 WeakPolarHBondContact CA-O 3.39Å; Y283-E315 PolarHBondContact N-O 3.21Å; Y283-E315 PolarHBondContact O-N 3.46Å; D313-E315 PolarHBondContact O-N 2.82Å; E315-T317 HydrophobicContact CB-CG2 4.27Å; E315-T317 PolarHBondContact O-N 3.17Å; E315-T317 PolarHBondContact O-OG1 3.44Å; E315-K330 IonicContact OE1-NZ 3.46Å; E315-K330 PolarHBondContact OE1-NZ 3.01Å; E315-K330 IonicContact OE2-NZ 2.85Å; E315-K330 PolarHBondContact OE2-NZ 2.81Å |
| 316 | P | 92.9 | Very high | 89.3 | Confident | 97 Ų | 97 | 63.5 Ų | 63.5 | 63% | 0.63 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 121 | 173.2 | 28.1 | -33.4 | 0 | 0 | 0 | 109.7 | W314 | W314-P316 WeakPolarHBondContact O-CD 3.48Å |
| 317 | T | 93.6 | Very high | 89.4 | Confident | 5 Ų | 5 | 61 Ų | 61 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 162.9 | -170.7 | 45 | 0 | 0 | 0 | 0 | 110.9 | V281 Y283 E315 L328 W329 | V281-T317 PolarHBondContact N-O 2.97Å; V281-T317 PolarHBondContact O-N 3.1Å; V281-T317 PolarHBondContact O-OG1 3.09Å; Y283-T317 WeakPolarHBondContact CB-OG1 3.43Å; E315-T317 HydrophobicContact CB-CG2 4.27Å; E315-T317 PolarHBondContact O-N 3.17Å; E315-T317 PolarHBondContact O-OG1 3.44Å; T317-L328 HydrophobicContact CG2-CD1 4.41Å; T317-L328 HydrophobicContact CG2-CD2 4.37Å; T317-L328 HydrophobicContact CG2-CG 4.15Å; T317-L328 WeakPolarHBondContact OG1-CD1 3.3Å; T317-W329 CarbonylContact C-O 3.54Å; T317-W329 VanDerWaalsContact CA-O 3.25Å; T317-W329 WeakPolarHBondContact CA-O 3.13Å; T317-W329 VanDerWaalsContact CB-O 3.32Å; T317-W329 WeakPolarHBondContact CB-O 3.03Å |
| 318 | V | 93.3 | Very high | 89.4 | Confident | 26 Ų | 26 | 54.2 Ų | 54.2 | 16% | 0.158 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 119.8 | 176.2 | -170.5 | 0 | 0 | 0 | 0 | 108.4 | K278 F279 E280 W329 | K278-V318 HydrophobicContact CB-CG1 3.91Å; K278-V318 HydrophobicContact CD-CG1 4.42Å; F279-V318 CarbonylContact O-C 3.4Å; F279-V318 WeakPolarHBondContact O-CA 3.3Å; E280-V318 HydrophobicContact CG-CG2 4.48Å; V318-W329 PolarHBondContact N-O 3.5Å; V318-W329 PolarHBondContact O-N 2.8Å |
| 319 | I | 94.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 121.7 | 173.5 | -168.9 | 175 | 0 | 0 | 0 | 109.8 | K278 F279 V281 I321 L326 S327 L328 F374 I383 | K278-I319 WeakPolarHBondContact CA-O 3.39Å; F279-I319 HydrophobicContact CB-CG2 3.79Å; F279-I319 HydrophobicContact CD2-CG2 4.34Å; F279-I319 PolarHBondContact N-O 2.83Å; F279-I319 PolarHBondContact O-N 3.02Å; V281-I319 HydrophobicContact CG1-CG2 4.12Å; V281-I319 HydrophobicContact CG2-CB 4.27Å; V281-I319 HydrophobicContact CG2-CG2 4.16Å; I319-I321 HydrophobicContact CG1-CG1 4.25Å; I319-L326 HydrophobicContact CD1-CD2 3.91Å; I319-L326 HydrophobicContact CD1-CG 4.11Å; I319-L326 HydrophobicContact CG1-CG 4.43Å; I319-S327 CarbonylContact C-O 3.6Å; I319-S327 WeakPolarHBondContact CA-O 3.42Å; I319-L328 HydrophobicContact CB-CD1 4.12Å; I319-F374 HydrophobicContact CD1-CE1 4.44Å; I319-F374 HydrophobicContact CD1-CZ 4.25Å; I319-I383 HydrophobicContact CD1-CD1 4.26Å; I319-I383 HydrophobicContact CG2-CD1 3.63Å; I319-I383 HydrophobicContact CG2-CG1 4.47Å |
| 320 | H | 93.1 | Very high | 89.4 | Confident | 26 Ų | 26 | 55.9 Ų | 55.9 | 12% | 0.12 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 115.1 | 177 | -74.4 | 178.8 | 0 | 0 | 0 | 109 | V276 Q277 K278 L326 S327 W329 | V276-H320 HydrophobicContact CG1-CB 3.6Å; Q277-H320 CarbonylContact O-C 3.54Å; Q277-H320 WeakPolarHBondContact O-CA 2.87Å; K278-H320 VanDerWaalsContact CD-NE2 3.32Å; K278-H320 WeakPolarHBondContact CD-NE2 2.89Å; K278-H320 WeakPolarHBondContact CE-NE2 3.29Å; K278-H320 PolarHBondContact NZ-NE2 2.85Å; H320-L326 WeakPolarHBondContact O-CA 3.18Å; H320-S327 PolarHBondContact N-O 3.08Å; H320-S327 PolarHBondContact O-N 3.36Å; H320-W329 AromaticContact CE1-CD1 3.51Å; H320-W329 AromaticContact CE1-CD2 3.91Å; H320-W329 AromaticContact CE1-CG 3.61Å; H320-W329 AromaticContact CE1-NE1 3.77Å; H320-W329 AromaticContact CG-CD1 3.44Å; H320-W329 VanDerWaalsContact CG-CD1 3.44Å; H320-W329 AromaticContact CG-NE1 3.61Å; H320-W329 AromaticContact ND1-CD1 3.1Å; H320-W329 AromaticContact ND1-CD2 3.89Å; H320-W329 AromaticContact ND1-CE2 3.53Å; H320-W329 AromaticContact ND1-CG 3.65Å; H320-W329 AromaticContact ND1-NE1 3.03Å; H320-W329 PolarHBondContact ND1-NE1 3.35Å |
| 321 | I | 91.4 | Very high | 88.4 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 107.8 | -178.8 | -56.9 | -179.7 | 0 | 0 | 0 | 108.5 | Q277 F279 I319 L326 I383 A386 V387 A390 | Q277-I321 HydrophobicContact CB-CB 4.45Å; Q277-I321 PolarHBondContact N-O 2.83Å; Q277-I321 PolarHBondContact O-N 3.11Å; F279-I321 HydrophobicContact CD2-CD1 3.83Å; F279-I321 HydrophobicContact CD2-CG1 4.34Å; F279-I321 HydrophobicContact CE2-CD1 3.76Å; F279-I321 HydrophobicContact CE2-CG1 4.35Å; I319-I321 HydrophobicContact CG1-CG1 4.25Å; I321-L326 HydrophobicContact CB-CD1 4.25Å; I321-L326 HydrophobicContact CG1-CD1 3.88Å; I321-L326 HydrophobicContact CG1-CG 4.34Å; I321-L326 HydrophobicContact CG2-CD1 3.93Å; I321-I383 HydrophobicContact CD1-CG1 4.11Å; I321-A386 HydrophobicContact CD1-CB 3.9Å; I321-V387 HydrophobicContact CD1-CG2 3.51Å; I321-V387 HydrophobicContact CG1-CG2 4.41Å; I321-A390 HydrophobicContact CG2-CB 4.08Å |
| 322 | S | 86.5 | Confident | 87.3 | Confident | 28 Ų | 28 | 54 Ų | 54 | 20% | 0.196 | 28% | 0.28 | C | S | . | . | trans | -106.2 | 177.7 | 172.1 | 72 | 0 | 0 | 0 | 0 | 111.1 | R324 V325 A390 | S322-R324 PolarHBondContact O-N 3.46Å; S322-R324 PolarHBondContact OG-N 3.47Å; S322-V325 PolarHBondContact N-O 3.2Å; S322-V325 WeakPolarHBondContact OG-CA 3.44Å; S322-V325 WeakPolarHBondContact OG-CB 3.48Å; S322-V325 PolarHBondContact OG-N 3.4Å; S322-V325 PolarHBondContact OG-O 3.4Å; S322-A390 WeakPolarHBondContact O-CB 3.34Å | ||
| 323 | D | 78.1 | Confident | 86 | Confident | 26 Ų | 26 | 53.9 Ų | 53.9 | 14% | 0.139 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -65.6 | -21 | 175.2 | 81.6 | -41.8 | 0 | 0 | 0 | 113.3 | Q394 K397 | D323-Q394 VanDerWaalsContact O-CD 3.31Å; D323-Q394 WeakPolarHBondContact O-CG 3.36Å; D323-Q394 PolarHBondContact O-NE2 3.24Å; D323-K397 IonicContact OD2-NZ 2.71Å; D323-K397 PolarHBondContact OD2-NZ 2.8Å |
| 324 | R | 79.8 | Confident | 84.9 | Confident | 137 Ų | 137 | 50 Ų | 50 | 52% | 0.517 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -119.3 | -25.6 | -172.2 | -75.5 | 167.7 | -172.3 | -148.2 | 3.4 | 114.6 | S322 Q342 V343 | S322-R324 PolarHBondContact O-N 3.46Å; S322-R324 PolarHBondContact OG-N 3.47Å; R324-Q342 CarbonylContact O-C 3.25Å; R324-Q342 VanDerWaalsContact O-CA 3.3Å; R324-Q342 WeakPolarHBondContact O-CA 3.34Å; R324-V343 PolarHBondContact O-N 3.1Å |
| 325 | V | 90.3 | Very high | 83.7 | Confident | 30 Ų | 30 | 57.2 Ų | 57.2 | 18% | 0.182 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 133.1 | -164.8 | 178.6 | 0 | 0 | 0 | 0 | 109.9 | S322 E340 C341 Q342 | S322-V325 PolarHBondContact N-O 3.2Å; S322-V325 WeakPolarHBondContact OG-CA 3.44Å; S322-V325 WeakPolarHBondContact OG-CB 3.48Å; S322-V325 PolarHBondContact OG-N 3.4Å; S322-V325 PolarHBondContact OG-O 3.4Å; V325-E340 HydrophobicContact CG1-CG 3.38Å; V325-C341 WeakPolarHBondContact CA-O 3.43Å; V325-Q342 HydrophobicContact CG2-CG 4.49Å |
| 326 | L | 93 | Very high | 83.4 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 126.9 | 158.2 | -120.1 | 70.4 | 0 | 0 | 0 | 107.2 | I319 H320 I321 W339 E340 C341 V343 V387 | I319-L326 HydrophobicContact CD1-CD2 3.91Å; I319-L326 HydrophobicContact CD1-CG 4.11Å; I319-L326 HydrophobicContact CG1-CG 4.43Å; H320-L326 WeakPolarHBondContact O-CA 3.18Å; I321-L326 HydrophobicContact CB-CD1 4.25Å; I321-L326 HydrophobicContact CG1-CD1 3.88Å; I321-L326 HydrophobicContact CG1-CG 4.34Å; I321-L326 HydrophobicContact CG2-CD1 3.93Å; L326-W339 HydrophobicContact CB-CH2 4.35Å; L326-W339 HydrophobicContact CB-CZ3 3.99Å; L326-W339 HydrophobicContact CD2-CH2 4.32Å; L326-W339 HydrophobicContact CD2-CZ3 4.23Å; L326-E340 WeakPolarHBondContact O-CA 3.3Å; L326-C341 PolarHBondContact N-O 3.02Å; L326-C341 PolarHBondContact O-N 2.86Å; L326-C341 VanDerWaalsContact O-O 3.14Å; L326-V343 HydrophobicContact CD1-CG2 4.39Å; L326-V387 HydrophobicContact CD1-CG1 4.24Å; L326-V387 HydrophobicContact CD1-CG2 4.18Å; L326-V387 HydrophobicContact CD2-CG1 4.33Å; L326-V387 HydrophobicContact CD2-CG2 4.22Å |
| 327 | S | 93.8 | Very high | 83.2 | Confident | 11 Ų | 11 | 59.1 Ų | 59.1 | 8% | 0.077 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 148.3 | 171.3 | 49.8 | 0 | 0 | 0 | 0 | 112.1 | I319 H320 W329 W339 | I319-S327 CarbonylContact C-O 3.6Å; I319-S327 WeakPolarHBondContact CA-O 3.42Å; H320-S327 PolarHBondContact N-O 3.08Å; H320-S327 PolarHBondContact O-N 3.36Å; S327-W329 PolarHBondContact OG-NE1 2.79Å; S327-W339 CarbonylContact C-O 3.59Å; S327-W339 VanDerWaalsContact CA-O 3.24Å; S327-W339 WeakPolarHBondContact CA-O 3.46Å |
| 328 | L | 94.1 | Very high | 82.9 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 127.1 | -176.4 | -169.4 | 66.9 | 0 | 0 | 0 | 109.2 | V281 Y283 T317 I319 P337 L338 W339 F374 | V281-L328 HydrophobicContact CG2-CD1 4.25Å; Y283-L328 HydrophobicContact CD1-CD2 4.06Å; Y283-L328 HydrophobicContact CD2-CD2 3.79Å; Y283-L328 HydrophobicContact CE1-CD2 4.5Å; Y283-L328 HydrophobicContact CE2-CD2 4.25Å; Y283-L328 HydrophobicContact CG-CD2 3.66Å; T317-L328 HydrophobicContact CG2-CD1 4.41Å; T317-L328 HydrophobicContact CG2-CD2 4.37Å; T317-L328 HydrophobicContact CG2-CG 4.15Å; T317-L328 WeakPolarHBondContact OG1-CD1 3.3Å; I319-L328 HydrophobicContact CB-CD1 4.12Å; L328-P337 CarbonylContact O-C 3.6Å; L328-P337 WeakPolarHBondContact O-CA 3.46Å; L328-P337 WeakPolarHBondContact O-CB 3.42Å; L328-L338 HydrophobicContact CD2-CD2 3.99Å; L328-L338 PolarHBondContact O-N 2.95Å; L328-W339 HydrophobicContact CB-CB 4.16Å; L328-W339 HydrophobicContact CB-CE3 4.26Å; L328-W339 PolarHBondContact N-O 3.44Å; L328-F374 HydrophobicContact CD1-CD1 4.38Å; L328-F374 HydrophobicContact CD1-CE1 3.82Å; L328-F374 HydrophobicContact CD2-CE1 4.08Å |
| 329 | W | 92.3 | Very high | 82.9 | Confident | 54 Ų | 54 | 63.6 Ų | 63.6 | 21% | 0.205 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 146.4 | -172.7 | -63.8 | 73.3 | 0 | 0 | 0 | 110.7 | T317 V318 H320 S327 G334 P337 | T317-W329 CarbonylContact C-O 3.54Å; T317-W329 VanDerWaalsContact CA-O 3.25Å; T317-W329 WeakPolarHBondContact CA-O 3.13Å; T317-W329 VanDerWaalsContact CB-O 3.32Å; T317-W329 WeakPolarHBondContact CB-O 3.03Å; V318-W329 PolarHBondContact N-O 3.5Å; V318-W329 PolarHBondContact O-N 2.8Å; H320-W329 AromaticContact CE1-CD1 3.51Å; H320-W329 AromaticContact CE1-CD2 3.91Å; H320-W329 AromaticContact CE1-CG 3.61Å; H320-W329 AromaticContact CE1-NE1 3.77Å; H320-W329 AromaticContact CG-CD1 3.44Å; H320-W329 VanDerWaalsContact CG-CD1 3.44Å; H320-W329 AromaticContact CG-NE1 3.61Å; H320-W329 AromaticContact ND1-CD1 3.1Å; H320-W329 AromaticContact ND1-CD2 3.89Å; H320-W329 AromaticContact ND1-CE2 3.53Å; H320-W329 AromaticContact ND1-CG 3.65Å; H320-W329 AromaticContact ND1-NE1 3.03Å; H320-W329 PolarHBondContact ND1-NE1 3.35Å; S327-W329 PolarHBondContact OG-NE1 2.79Å; W329-G334 VanDerWaalsContact CZ3-O 3.25Å; W329-G334 WeakPolarHBondContact CZ3-O 3.42Å; W329-P337 HydrophobicContact CD2-CB 4.19Å; W329-P337 HydrophobicContact CZ2-CB 3.97Å; W329-P337 HydrophobicContact CZ2-CG 4.17Å |
| 330 | K | 85.6 | Confident | 82.9 | Confident | 105 Ų | 105 | 69 Ų | 69 | 46% | 0.457 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -106.9 | 95.7 | -178.9 | -166.8 | 167.4 | -169.2 | 159.2 | 0 | 109.6 | E315 | E315-K330 IonicContact OE1-NZ 3.46Å; E315-K330 PolarHBondContact OE1-NZ 3.01Å; E315-K330 IonicContact OE2-NZ 2.85Å; E315-K330 PolarHBondContact OE2-NZ 2.81Å |
| 331 | G | 69.1 | Low | 82.8 | Confident | 44 Ų | 44 | 68.3 Ų | 68.3 | 45% | 0.454 | 35% | 0.352 | S | S | . | . | S | Bend | trans | 73.2 | -175.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 332 | E | 59.3 | Low | 82.6 | Confident | 186 Ų | 186 | 71.9 Ų | 71.9 | 87% | 0.869 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -83.1 | -17.9 | 179.9 | -62.1 | -163.3 | 113.6 | 0 | 0 | 113.8 | ||
| 333 | D | 58 | Low | 82.6 | Confident | 161 Ų | 161 | 70.6 Ų | 70.6 | 86% | 0.861 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -101.7 | 11.5 | -171.5 | -63 | -51.8 | 0 | 0 | 0 | 114.7 | ||
| 334 | G | 62.4 | Low | 82.7 | Confident | 29 Ų | 29 | 75.2 Ų | 75.2 | 30% | 0.299 | 38% | 0.375 | S | S | . | . | trans | -79 | 123.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | W329 | W329-G334 VanDerWaalsContact CZ3-O 3.25Å; W329-G334 WeakPolarHBondContact CZ3-O 3.42Å | ||
| 335 | D | 67.8 | Low | 83 | Confident | 165 Ų | 165 | 72.3 Ų | 72.3 | 88% | 0.882 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -72.8 | -26.9 | 175.2 | -83.5 | -31.9 | 0 | 0 | 0 | 113.3 | ||
| 336 | E | 82.9 | Confident | 83 | Confident | 166 Ų | 166 | 70.9 Ų | 70.9 | 78% | 0.776 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -131.9 | 147.2 | -178.9 | -67.3 | -170.7 | 160.5 | 0 | 0 | 111.7 | ||
| 337 | P | 87.9 | Confident | 82.5 | Confident | 41 Ų | 41 | 71 Ų | 71 | 27% | 0.266 | 36% | 0.358 | S | S | . | . | trans | -71.6 | 141.5 | 175.8 | 29.5 | -33.8 | 0 | 0 | 0 | 111.9 | L328 W329 W339 E340 | L328-P337 CarbonylContact O-C 3.6Å; L328-P337 WeakPolarHBondContact O-CA 3.46Å; L328-P337 WeakPolarHBondContact O-CB 3.42Å; W329-P337 HydrophobicContact CD2-CB 4.19Å; W329-P337 HydrophobicContact CZ2-CB 3.97Å; W329-P337 HydrophobicContact CZ2-CG 4.17Å; P337-W339 PolarHBondContact O-N 2.81Å; P337-E340 HydrophobicContact CG-CB 4.25Å | ||
| 338 | L | 89.1 | Confident | 82.1 | Confident | 86 Ų | 86 | 70.8 Ų | 70.8 | 45% | 0.45 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -60.5 | -34.1 | 172.1 | -165.9 | 83.6 | 0 | 0 | 0 | 111.7 | Y283 L328 | Y283-L338 HydrophobicContact CD1-CD2 4.26Å; Y283-L338 HydrophobicContact CE1-CD2 4.45Å; L328-L338 HydrophobicContact CD2-CD2 3.99Å; L328-L338 PolarHBondContact O-N 2.95Å |
| 339 | W | 92.9 | Very high | 81.9 | Confident | 39 Ų | 39 | 71.9 Ų | 71.9 | 15% | 0.148 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 141.7 | 178.8 | 172.7 | 86 | 0 | 0 | 0 | 109.8 | L326 S327 L328 P337 C341 V360 V362 H372 | L326-W339 HydrophobicContact CB-CH2 4.35Å; L326-W339 HydrophobicContact CB-CZ3 3.99Å; L326-W339 HydrophobicContact CD2-CH2 4.32Å; L326-W339 HydrophobicContact CD2-CZ3 4.23Å; S327-W339 CarbonylContact C-O 3.59Å; S327-W339 VanDerWaalsContact CA-O 3.24Å; S327-W339 WeakPolarHBondContact CA-O 3.46Å; L328-W339 HydrophobicContact CB-CB 4.16Å; L328-W339 HydrophobicContact CB-CE3 4.26Å; L328-W339 PolarHBondContact N-O 3.44Å; P337-W339 PolarHBondContact O-N 2.81Å; W339-C341 HydrophobicContact CH2-CB 3.57Å; W339-C341 HydrophobicContact CZ2-CB 3.43Å; W339-C341 VanDerWaalsContact CZ2-CB 3.43Å; W339-C341 HydrophobicContact CZ3-CB 4.26Å; W339-V360 HydrophobicContact CH2-CG2 4.23Å; W339-V362 HydrophobicContact CH2-CG1 4.36Å; W339-V362 HydrophobicContact CZ2-CG1 4Å; W339-V362 HydrophobicContact CZ2-CG2 4.24Å; W339-H372 AromaticContact CD1-CE1 3.49Å; W339-H372 VanDerWaalsContact CD1-CE1 3.49Å; W339-H372 AromaticContact CD1-NE2 3.97Å; W339-H372 AromaticContact CE2-CD2 3.83Å; W339-H372 AromaticContact CE2-CE1 3.64Å; W339-H372 AromaticContact CE2-ND1 3.96Å; W339-H372 AromaticContact CE2-NE2 3.53Å; W339-H372 AromaticContact CZ2-CD2 3.57Å; W339-H372 AromaticContact CZ2-CG 3.99Å; W339-H372 AromaticContact CZ2-NE2 3.69Å; W339-H372 AromaticContact NE1-CD2 3.88Å; W339-H372 AromaticContact NE1-CE1 3.08Å; W339-H372 PolarHBondContact NE1-CE1 2.97Å; W339-H372 AromaticContact NE1-ND1 3.8Å; W339-H372 AromaticContact NE1-NE2 3.09Å; W339-H372 PolarHBondContact NE1-NE2 2.62Å |
| 340 | E | 93.2 | Very high | 81.5 | Confident | 112 Ų | 112 | 69.6 Ų | 69.6 | 52% | 0.523 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 133.4 | 174.7 | -176.4 | 175.6 | 106.5 | 0 | 0 | 110.7 | V325 L326 P337 | V325-E340 HydrophobicContact CG1-CG 3.38Å; L326-E340 WeakPolarHBondContact O-CA 3.3Å; P337-E340 HydrophobicContact CG-CB 4.25Å |
| 341 | C | 91.1 | Very high | 81.7 | Confident | 13 Ų | 13 | 66.9 Ų | 66.9 | 9% | 0.088 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 135.3 | 171.1 | -175.4 | 0 | 0 | 0 | 0 | 111 | V325 L326 W339 V362 | V325-C341 WeakPolarHBondContact CA-O 3.43Å; L326-C341 PolarHBondContact N-O 3.02Å; L326-C341 PolarHBondContact O-N 2.86Å; L326-C341 VanDerWaalsContact O-O 3.14Å; W339-C341 HydrophobicContact CH2-CB 3.57Å; W339-C341 HydrophobicContact CZ2-CB 3.43Å; W339-C341 VanDerWaalsContact CZ2-CB 3.43Å; W339-C341 HydrophobicContact CZ3-CB 4.26Å; C341-V362 HydrophobicContact CB-CG1 4.17Å; C341-V362 WeakPolarHBondContact SG-CG1 3.41Å |
| 342 | Q | 87.8 | Confident | 82.3 | Confident | 76 Ų | 76 | 65.4 Ų | 65.4 | 36% | 0.355 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 133.7 | 169.6 | -59.9 | 177 | 40 | 0 | 0 | 109.5 | R324 V325 R344 F345 | R324-Q342 CarbonylContact O-C 3.25Å; R324-Q342 VanDerWaalsContact O-CA 3.3Å; R324-Q342 WeakPolarHBondContact O-CA 3.34Å; V325-Q342 HydrophobicContact CG2-CG 4.49Å; Q342-R344 HydrophobicContact CB-CG 4Å; Q342-R344 PolarHBondContact O-N 3.34Å; Q342-R344 VanDerWaalsContact OE1-NE 3.08Å; Q342-R344 VanDerWaalsContact OE1-NH2 3.09Å; Q342-F345 HydrophobicContact CB-CD2 3.76Å; Q342-F345 HydrophobicContact CB-CE2 4.09Å; Q342-F345 HydrophobicContact CG-CD2 4.41Å; Q342-F345 HydrophobicContact CG-CE2 4.35Å; Q342-F345 WeakPolarHBondContact O-CB 3.43Å; Q342-F345 PolarHBondContact O-N 3.36Å |
| 343 | V | 86.8 | Confident | 83.5 | Confident | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.006 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -51.2 | -29.9 | -178.3 | 168.5 | 0 | 0 | 0 | 0 | 112.9 | R324 L326 F345 L346 A390 C391 Q394 | R324-V343 PolarHBondContact O-N 3.1Å; L326-V343 HydrophobicContact CD1-CG2 4.39Å; V343-F345 PolarHBondContact O-N 3.27Å; V343-L346 HydrophobicContact CB-CD1 4.42Å; V343-L346 HydrophobicContact CG1-CD1 4.31Å; V343-L346 HydrophobicContact CG2-CD1 4.4Å; V343-L346 WeakPolarHBondContact O-CB 3.35Å; V343-L346 PolarHBondContact O-N 3.44Å; V343-A390 HydrophobicContact CG1-CB 4.43Å; V343-A390 HydrophobicContact CG2-CB 4.25Å; V343-C391 HydrophobicContact CG1-CB 4.38Å; V343-Q394 HydrophobicContact CB-CG 4.27Å; V343-Q394 HydrophobicContact CG1-CB 4.36Å; V343-Q394 HydrophobicContact CG1-CG 3.87Å |
| 344 | R | 80.7 | Confident | 84.8 | Confident | 124 Ų | 124 | 59 Ų | 59 | 47% | 0.468 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -65.3 | -13.5 | 175.1 | 74.3 | -178.9 | -172.8 | -168.4 | -6.4 | 115.7 | Q342 | Q342-R344 HydrophobicContact CB-CG 4Å; Q342-R344 PolarHBondContact O-N 3.34Å; Q342-R344 VanDerWaalsContact OE1-NE 3.08Å; Q342-R344 VanDerWaalsContact OE1-NH2 3.09Å |
| 345 | F | 85.8 | Confident | 86.1 | Confident | 76 Ų | 76 | 60.9 Ų | 60.9 | 33% | 0.333 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -106 | -3.8 | 178.7 | -60 | -55.5 | 0 | 0 | 0 | 112.3 | Q342 V343 T347 V362 D363 | Q342-F345 HydrophobicContact CB-CD2 3.76Å; Q342-F345 HydrophobicContact CB-CE2 4.09Å; Q342-F345 HydrophobicContact CG-CD2 4.41Å; Q342-F345 HydrophobicContact CG-CE2 4.35Å; Q342-F345 WeakPolarHBondContact O-CB 3.43Å; Q342-F345 PolarHBondContact O-N 3.36Å; V343-F345 PolarHBondContact O-N 3.27Å; F345-T347 PolarHBondContact O-N 2.96Å; F345-V362 CarbonylContact O-C 3.6Å; F345-V362 WeakPolarHBondContact O-CA 3.27Å; F345-D363 PolarHBondContact O-N 3.22Å |
| 346 | L | 88.8 | Confident | 87.1 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 132.4 | 161.7 | -70.6 | 162.7 | 0 | 0 | 0 | 108 | I10 V343 V360 V362 V387 | I10-L346 HydrophobicContact CD1-CB 4.03Å; I10-L346 WeakPolarHBondContact CD1-O 3.43Å; V343-L346 HydrophobicContact CB-CD1 4.42Å; V343-L346 HydrophobicContact CG1-CD1 4.31Å; V343-L346 HydrophobicContact CG2-CD1 4.4Å; V343-L346 WeakPolarHBondContact O-CB 3.35Å; V343-L346 PolarHBondContact O-N 3.44Å; L346-V360 HydrophobicContact CD2-CB 3.67Å; L346-V360 HydrophobicContact CD2-CG1 4.04Å; L346-V360 HydrophobicContact CD2-CG2 4.07Å; L346-V362 HydrophobicContact CD2-CG1 3.67Å; L346-V362 HydrophobicContact CG-CG1 4.35Å; L346-V387 HydrophobicContact CD1-CG1 3.77Å |
| 347 | T | 82.9 | Confident | 87.5 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | -24.8 | -179.3 | 53.4 | 0 | 0 | 0 | 0 | 112.5 | Y6 I10 A292 F345 I361 D363 F369 | Y6-T347 HydrophobicContact CD1-CG2 4.03Å; Y6-T347 HydrophobicContact CD2-CG2 4.03Å; Y6-T347 HydrophobicContact CG-CG2 3.77Å; I10-T347 WeakPolarHBondContact CG1-O 3.24Å; A292-T347 HydrophobicContact CB-CG2 4.41Å; A292-T347 CarbonylContact O-C 3.58Å; A292-T347 VanDerWaalsContact O-CB 3.31Å; A292-T347 WeakPolarHBondContact O-CB 3.42Å; A292-T347 PolarHBondContact O-OG1 3.05Å; F345-T347 PolarHBondContact O-N 2.96Å; T347-I361 PolarHBondContact N-O 3.19Å; T347-I361 PolarHBondContact OG1-O 2.9Å; T347-D363 HydrophobicContact CG2-CB 4.04Å; T347-F369 HydrophobicContact CG2-CD1 4.38Å; T347-F369 HydrophobicContact CG2-CE1 4.11Å |
| 348 | F | 85.4 | Confident | 87.8 | Confident | 7 Ų | 7 | 45.7 Ų | 45.7 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 158.5 | 171.3 | -160.9 | -120.2 | 0 | 0 | 0 | 110.8 | V13 A292 M293 G294 M295 L298 V360 I361 | V13-F348 HydrophobicContact CB-CE2 4.33Å; V13-F348 HydrophobicContact CG1-CE2 3.98Å; V13-F348 HydrophobicContact CG1-CZ 4.41Å; V13-F348 HydrophobicContact CG2-CE2 4.32Å; A292-F348 WeakPolarHBondContact O-CB 3.18Å; M293-F348 HydrophobicContact CB-CB 4.12Å; M293-F348 HydrophobicContact CB-CD2 3.76Å; M293-F348 HydrophobicContact CB-CE2 4.44Å; M293-F348 HydrophobicContact CB-CG 4.04Å; G294-F348 VanDerWaalsContact C-CE1 3.46Å; M295-F348 HydrophobicContact CG-CE1 4.33Å; M295-F348 HydrophobicContact CG-CZ 4.05Å; M295-F348 HydrophobicContact SD-CE1 3.61Å; M295-F348 HydrophobicContact SD-CZ 3.61Å; L298-F348 HydrophobicContact CB-CD1 4.26Å; L298-F348 HydrophobicContact CB-CE1 4.19Å; L298-F348 HydrophobicContact CD1-CD1 3.72Å; L298-F348 HydrophobicContact CD1-CE1 3.94Å; F348-V360 WeakPolarHBondContact O-CA 3.11Å; F348-I361 HydrophobicContact CB-CB 3.97Å; F348-I361 HydrophobicContact CB-CD1 3.98Å; F348-I361 HydrophobicContact CB-CG1 4.08Å; F348-I361 HydrophobicContact CD1-CD1 4.03Å; F348-I361 HydrophobicContact CG-CD1 4.44Å; F348-I361 PolarHBondContact N-O 2.75Å; F348-I361 PolarHBondContact O-N 3.19Å |
| 349 | L | 91.3 | Very high | 88.1 | Confident | 23 Ų | 23 | 41.6 Ų | 41.6 | 12% | 0.12 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 153.9 | 169.5 | 70 | 98.8 | 0 | 0 | 0 | 108.9 | I10 F358 A359 V360 V387 | I10-L349 HydrophobicContact CG2-CD2 3.96Å; L349-F358 HydrophobicContact CB-CE2 4.47Å; L349-F358 HydrophobicContact CB-CZ 4.45Å; L349-F358 HydrophobicContact CD1-CE2 4.21Å; L349-A359 CarbonylContact C-O 3.53Å; L349-A359 WeakPolarHBondContact CA-O 3.28Å; L349-V360 HydrophobicContact CB-CG1 4.01Å; L349-V387 HydrophobicContact CD2-CB 4.44Å; L349-V387 HydrophobicContact CD2-CG1 3.95Å |
| 350 | G | 83.5 | Confident | 88.2 | Confident | 7 Ų | 7 | 39.7 Ų | 39.7 | 7% | 0.072 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.8 | 158.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | F358 A359 | G350-F358 WeakPolarHBondContact O-CD2 3.26Å; G350-A359 PolarHBondContact N-O 3.33Å; G350-A359 PolarHBondContact O-N 3.23Å |
| 351 | V | 88.8 | Confident | 88.1 | Confident | 47 Ų | 47 | 34.4 Ų | 34.4 | 29% | 0.285 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 139.1 | 164.8 | -179.6 | 0 | 0 | 0 | 0 | 107.5 | M295 T357 A380 | M295-V351 VanDerWaalsContact CE-O 3.22Å; M295-V351 WeakPolarHBondContact CE-O 3.34Å; V351-T357 CarbonylContact C-O 3.52Å; V351-T357 VanDerWaalsContact CA-O 3.31Å; V351-T357 WeakPolarHBondContact CA-O 3.49Å; V351-T357 WeakPolarHBondContact CG1-O 3.34Å; V351-A380 HydrophobicContact CB-CB 4.45Å; V351-A380 HydrophobicContact CG1-CB 3.99Å; V351-A380 HydrophobicContact CG2-CB 3.78Å |
| 352 | G | 82.8 | Confident | 88.2 | Confident | 13 Ų | 13 | 34 Ų | 34 | 13% | 0.134 | 17% | 0.171 | C | C | . | . | trans | -73.9 | -167.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | N299 D354 T357 | N299-G352 WeakPolarHBondContact OD1-CA 3.5Å; G352-D354 PolarHBondContact O-N 2.74Å; G352-T357 VanDerWaalsContact CA-OG1 3.25Å; G352-T357 WeakPolarHBondContact CA-OG1 3.19Å; G352-T357 PolarHBondContact N-O 2.87Å; G352-T357 PolarHBondContact N-OG1 3.18Å | ||
| 353 | H | 83.6 | Confident | 88.2 | Confident | 150 Ų | 150 | 31.8 Ų | 31.8 | 69% | 0.694 | 16% | 0.162 | S | C | * | . | S | Bend | trans | -64.2 | -25.6 | 171.4 | -64.7 | 151.3 | 0 | 0 | 0 | 112.6 | N299 E303 | N299-H353 PolarHBondContact ND2-CD2 3.29Å; N299-H353 VanDerWaalsContact ND2-CD2 3.27Å; N299-H353 PolarHBondContact ND2-NE2 3.45Å; E303-H353 IonicContact OE1-CE1 2.68Å; E303-H353 IonicContact OE1-ND1 3.44Å; E303-H353 PolarHBondContact OE1-ND1 3.41Å |
| 354 | D | 85.4 | Confident | 88.2 | Confident | 64 Ų | 64 | 34.7 Ų | 34.7 | 34% | 0.342 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -96.7 | 129.5 | 170.7 | -171.2 | -35.4 | 0 | 0 | 0 | 109.3 | G352 H356 T357 | G352-D354 PolarHBondContact O-N 2.74Å; D354-H356 PolarHBondContact O-N 3.25Å; D354-H356 VanDerWaalsContact O-N 3.13Å; D354-H356 IonicContact OD1-CE1 3.32Å; D354-H356 IonicContact OD1-CG 3.2Å; D354-H356 PolarHBondContact OD1-N 3.21Å; D354-H356 IonicContact OD1-ND1 2.65Å; D354-H356 PolarHBondContact OD1-ND1 3.26Å; D354-T357 HydrophobicContact CB-CG2 4.04Å; D354-T357 PolarHBondContact O-N 2.8Å; D354-T357 PolarHBondContact O-OG1 3.38Å |
| 355 | S | 88.8 | Confident | 88.1 | Confident | 68 Ų | 68 | 30 Ų | 30 | 48% | 0.476 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -20.4 | -179.5 | 52.5 | 0 | 0 | 0 | 0 | 114.3 | A380 | S355-A380 VanDerWaalsContact O-CB 3.22Å; S355-A380 WeakPolarHBondContact O-CB 3.34Å; S355-A380 PolarHBondContact O-N 2.81Å |
| 356 | H | 89.9 | Confident | 87.8 | Confident | 51 Ų | 51 | 32.5 Ų | 32.5 | 24% | 0.236 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -12.9 | 176.4 | -50.5 | 81.9 | 0 | 0 | 0 | 112.4 | D354 W375 C376 P378 | D354-H356 PolarHBondContact O-N 3.25Å; D354-H356 VanDerWaalsContact O-N 3.13Å; D354-H356 IonicContact OD1-CE1 3.32Å; D354-H356 IonicContact OD1-CG 3.2Å; D354-H356 PolarHBondContact OD1-N 3.21Å; D354-H356 IonicContact OD1-ND1 2.65Å; D354-H356 PolarHBondContact OD1-ND1 3.26Å; H356-W375 HydrophobicContact CB-CD2 3.86Å; H356-W375 HydrophobicContact CB-CE3 4.07Å; H356-W375 HydrophobicContact CB-CH2 3.64Å; H356-W375 HydrophobicContact CB-CZ2 3.41Å; H356-W375 VanDerWaalsContact CB-CZ2 3.41Å; H356-W375 HydrophobicContact CB-CZ3 3.97Å; H356-W375 AromaticContact CG-CZ2 3.6Å; H356-W375 CarbonylContact O-C 3.49Å; H356-W375 WeakPolarHBondContact O-CA 3.45Å; H356-C376 WeakPolarHBondContact CB-O 3.44Å; H356-C376 PolarHBondContact O-N 3.3Å; H356-P378 PolarHBondContact CD2-O 3.4Å; H356-P378 PolarHBondContact NE2-O 2.72Å |
| 357 | T | 90.2 | Very high | 87.2 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 118.2 | -177.4 | 59.2 | 0 | 0 | 0 | 0 | 111.7 | I302 M306 V351 G352 D354 W375 | I302-T357 HydrophobicContact CG2-CG2 4.19Å; M306-T357 HydrophobicContact CE-CG2 4.23Å; M306-T357 HydrophobicContact SD-CG2 3.77Å; V351-T357 CarbonylContact C-O 3.52Å; V351-T357 VanDerWaalsContact CA-O 3.31Å; V351-T357 WeakPolarHBondContact CA-O 3.49Å; V351-T357 WeakPolarHBondContact CG1-O 3.34Å; G352-T357 VanDerWaalsContact CA-OG1 3.25Å; G352-T357 WeakPolarHBondContact CA-OG1 3.19Å; G352-T357 PolarHBondContact N-O 2.87Å; G352-T357 PolarHBondContact N-OG1 3.18Å; D354-T357 HydrophobicContact CB-CG2 4.04Å; D354-T357 PolarHBondContact O-N 2.8Å; D354-T357 PolarHBondContact O-OG1 3.38Å; T357-W375 HydrophobicContact CG2-CE3 3.84Å; T357-W375 HydrophobicContact CG2-CZ3 3.8Å |
| 358 | F | 95 | Very high | 87.4 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 139.2 | 173.4 | -177.6 | -119.4 | 0 | 0 | 0 | 110.4 | L349 G350 V360 V373 F374 A380 I383 V387 | L349-F358 HydrophobicContact CB-CE2 4.47Å; L349-F358 HydrophobicContact CB-CZ 4.45Å; L349-F358 HydrophobicContact CD1-CE2 4.21Å; G350-F358 WeakPolarHBondContact O-CD2 3.26Å; F358-V360 HydrophobicContact CE1-CG1 3.67Å; F358-V360 HydrophobicContact CZ-CG1 3.6Å; F358-V373 WeakPolarHBondContact O-CA 3.48Å; F358-F374 HydrophobicContact CB-CB 4.44Å; F358-F374 AromaticContact CD1-CD2 3.87Å; F358-F374 HydrophobicContact CD1-CD2 3.87Å; F358-F374 PolarHBondContact N-O 3.48Å; F358-F374 PolarHBondContact O-N 3.08Å; F358-A380 HydrophobicContact CB-CB 3.79Å; F358-I383 HydrophobicContact CB-CG2 4.3Å; F358-I383 HydrophobicContact CD1-CD1 3.57Å; F358-I383 HydrophobicContact CD1-CG1 3.91Å; F358-I383 HydrophobicContact CD1-CG2 4.29Å; F358-I383 HydrophobicContact CD2-CG2 4.5Å; F358-I383 HydrophobicContact CE1-CD1 3.93Å; F358-I383 HydrophobicContact CE1-CG1 3.91Å; F358-I383 HydrophobicContact CG-CD1 4.37Å; F358-I383 HydrophobicContact CG-CG2 4.1Å; F358-V387 HydrophobicContact CE1-CG2 3.87Å; F358-V387 HydrophobicContact CZ-CB 4.13Å; F358-V387 HydrophobicContact CZ-CG2 3.69Å |
| 359 | A | 94.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 149.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L298 I302 L349 G350 H372 V373 | L298-A359 HydrophobicContact CD1-CB 3.86Å; L298-A359 HydrophobicContact CD2-CB 4.14Å; L298-A359 HydrophobicContact CG-CB 3.8Å; I302-A359 HydrophobicContact CD1-CB 3.85Å; I302-A359 HydrophobicContact CG1-CB 3.96Å; L349-A359 CarbonylContact C-O 3.53Å; L349-A359 WeakPolarHBondContact CA-O 3.28Å; G350-A359 PolarHBondContact N-O 3.33Å; G350-A359 PolarHBondContact O-N 3.23Å; A359-H372 VanDerWaalsContact CA-O 3.22Å; A359-H372 WeakPolarHBondContact CA-O 3.25Å; A359-V373 HydrophobicContact CB-CG2 3.99Å |
| 360 | V | 95 | Very high | 88 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 144 | 174.1 | -59.6 | 0 | 0 | 0 | 0 | 110.4 | W339 L346 F348 L349 F358 V362 C371 H372 F374 | W339-V360 HydrophobicContact CH2-CG2 4.23Å; L346-V360 HydrophobicContact CD2-CB 3.67Å; L346-V360 HydrophobicContact CD2-CG1 4.04Å; L346-V360 HydrophobicContact CD2-CG2 4.07Å; F348-V360 WeakPolarHBondContact O-CA 3.11Å; L349-V360 HydrophobicContact CB-CG1 4.01Å; F358-V360 HydrophobicContact CE1-CG1 3.67Å; F358-V360 HydrophobicContact CZ-CG1 3.6Å; V360-V362 HydrophobicContact CG2-CG1 4.49Å; V360-C371 CarbonylContact O-C 3.23Å; V360-C371 VanDerWaalsContact O-CA 3.27Å; V360-C371 WeakPolarHBondContact O-CA 3.37Å; V360-H372 HydrophobicContact CG2-CB 4.08Å; V360-H372 PolarHBondContact N-O 3.29Å; V360-H372 PolarHBondContact O-N 3.16Å; V360-F374 HydrophobicContact CG2-CE2 4.23Å |
| 361 | I | 91.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 125.2 | 171.9 | -52 | -179.7 | 0 | 0 | 0 | 108.5 | V289 V297 L298 T347 F348 F369 E370 C371 | V289-I361 HydrophobicContact CG2-CD1 4.32Å; V289-I361 HydrophobicContact CG2-CG2 3.66Å; V297-I361 HydrophobicContact CG1-CD1 4.2Å; L298-I361 HydrophobicContact CB-CD1 4.45Å; T347-I361 PolarHBondContact N-O 3.19Å; T347-I361 PolarHBondContact OG1-O 2.9Å; F348-I361 HydrophobicContact CB-CB 3.97Å; F348-I361 HydrophobicContact CB-CD1 3.98Å; F348-I361 HydrophobicContact CB-CG1 4.08Å; F348-I361 HydrophobicContact CD1-CD1 4.03Å; F348-I361 HydrophobicContact CG-CD1 4.44Å; F348-I361 PolarHBondContact N-O 2.75Å; F348-I361 PolarHBondContact O-N 3.19Å; I361-F369 HydrophobicContact CG2-CB 3.89Å; I361-E370 WeakPolarHBondContact CA-O 3.27Å; I361-C371 HydrophobicContact CG1-CB 4.19Å |
| 362 | V | 93.7 | Very high | 89 | Confident | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.024 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 144.3 | -179.6 | -64.2 | 0 | 0 | 0 | 0 | 111.6 | W339 C341 F345 L346 V360 A364 F369 E370 | W339-V362 HydrophobicContact CH2-CG1 4.36Å; W339-V362 HydrophobicContact CZ2-CG1 4Å; W339-V362 HydrophobicContact CZ2-CG2 4.24Å; C341-V362 HydrophobicContact CB-CG1 4.17Å; C341-V362 WeakPolarHBondContact SG-CG1 3.41Å; F345-V362 CarbonylContact O-C 3.6Å; F345-V362 WeakPolarHBondContact O-CA 3.27Å; L346-V362 HydrophobicContact CD2-CG1 3.67Å; L346-V362 HydrophobicContact CG-CG1 4.35Å; V360-V362 HydrophobicContact CG2-CG1 4.49Å; V362-A364 PolarHBondContact O-N 3.27Å; V362-F369 CarbonylContact O-C 3.6Å; V362-F369 VanDerWaalsContact O-CA 3.27Å; V362-F369 WeakPolarHBondContact O-CA 3.37Å; V362-E370 HydrophobicContact CG2-CB 4.2Å; V362-E370 WeakPolarHBondContact CG2-O 2.87Å; V362-E370 PolarHBondContact N-O 3Å; V362-E370 PolarHBondContact O-N 2.8Å |
| 363 | D | 88.7 | Confident | 89.7 | Confident | 30 Ų | 30 | 42.6 Ų | 42.6 | 16% | 0.16 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 99.9 | 165.5 | -178.2 | 15.8 | 0 | 0 | 0 | 108.6 | F345 T347 G365 Q367 F369 | F345-D363 PolarHBondContact O-N 3.22Å; T347-D363 HydrophobicContact CG2-CB 4.04Å; D363-G365 PolarHBondContact O-N 3.19Å; D363-G365 VanDerWaalsContact OD1-C 3.27Å; D363-G365 VanDerWaalsContact OD1-CA 3.28Å; D363-G365 WeakPolarHBondContact OD1-CA 3.43Å; D363-G365 PolarHBondContact OD1-N 3.26Å; D363-Q367 PolarHBondContact OD1-N 2.95Å; D363-F369 HydrophobicContact CB-CD1 4.13Å; D363-F369 HydrophobicContact CB-CE1 3.96Å |
| 364 | A | 85.4 | Confident | 90.3 | Very high | 63 Ų | 63 | 35.5 Ų | 35.5 | 52% | 0.521 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | -13.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | V362 Q368 E370 | V362-A364 PolarHBondContact O-N 3.27Å; A364-Q368 PolarHBondContact N-O 3.35Å; A364-E370 HydrophobicContact CB-CG 4.28Å |
| 365 | G | 79.4 | Confident | 90.8 | Very high | 25 Ų | 25 | 33.6 Ų | 33.6 | 26% | 0.258 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 135.6 | 148.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D363 Q367 Q368 | D363-G365 PolarHBondContact O-N 3.19Å; D363-G365 VanDerWaalsContact OD1-C 3.27Å; D363-G365 VanDerWaalsContact OD1-CA 3.28Å; D363-G365 WeakPolarHBondContact OD1-CA 3.43Å; D363-G365 PolarHBondContact OD1-N 3.26Å; G365-Q367 PolarHBondContact O-N 2.72Å; G365-Q368 VanDerWaalsContact O-CB 3.27Å; G365-Q368 WeakPolarHBondContact O-CB 3.26Å; G365-Q368 WeakPolarHBondContact O-CG 3.44Å; G365-Q368 PolarHBondContact O-N 2.86Å |
| 366 | T | 79.4 | Confident | 91 | Very high | 128 Ų | 128 | 30.5 Ų | 30.5 | 79% | 0.785 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56 | 30.1 | 176.1 | 59.1 | 0 | 0 | 0 | 0 | 115.2 | Q368 | T366-Q368 VanDerWaalsContact C-N 3.31Š|
| 367 | Q | 76.5 | Confident | 90.9 | Very high | 99 Ų | 99 | 34.1 Ų | 34.1 | 46% | 0.463 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 26.8 | -175.1 | -49.5 | -100.5 | -23.5 | 0 | 0 | 113.1 | Y6 D363 G365 F369 | Y6-Q367 PolarHBondContact OH-NE2 3.19Å; Y6-Q367 PolarHBondContact OH-OE1 3Å; D363-Q367 PolarHBondContact OD1-N 2.95Å; G365-Q367 PolarHBondContact O-N 2.72Å; Q367-F369 HydrophobicContact CB-CE2 4.01Å; Q367-F369 HydrophobicContact CB-CZ 3.99Å; Q367-F369 WeakPolarHBondContact O-CD2 3.45Å; Q367-F369 WeakPolarHBondContact O-CE2 3.2Å |
| 368 | Q | 86.7 | Confident | 90.7 | Very high | 129 Ų | 129 | 38.5 Ų | 38.5 | 60% | 0.603 | 22% | 0.215 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -91 | 111.2 | 166.1 | -63.2 | -176.4 | -31.9 | 0 | 0 | 107.5 | A364 G365 T366 | A364-Q368 PolarHBondContact N-O 3.35Å; G365-Q368 VanDerWaalsContact O-CB 3.27Å; G365-Q368 WeakPolarHBondContact O-CB 3.26Å; G365-Q368 WeakPolarHBondContact O-CG 3.44Å; G365-Q368 PolarHBondContact O-N 2.86Å; T366-Q368 VanDerWaalsContact C-N 3.31Å |
| 369 | F | 93.6 | Very high | 90.5 | Very high | 12 Ų | 12 | 41.8 Ų | 41.8 | 5% | 0.053 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 132.8 | -176 | -55.8 | -69.3 | 0 | 0 | 0 | 110.6 | P288 V289 A292 T347 I361 V362 D363 Q367 | P288-F369 CarbonylContact C-O 3.59Å; P288-F369 WeakPolarHBondContact CA-O 3.47Å; V289-F369 HydrophobicContact CG2-CB 3.61Å; V289-F369 PolarHBondContact N-O 3.02Å; A292-F369 HydrophobicContact CB-CD1 3.98Å; A292-F369 HydrophobicContact CB-CD2 4.46Å; A292-F369 HydrophobicContact CB-CE1 3.5Å; A292-F369 HydrophobicContact CB-CE2 4.04Å; A292-F369 HydrophobicContact CB-CG 4.43Å; A292-F369 HydrophobicContact CB-CZ 3.54Å; T347-F369 HydrophobicContact CG2-CD1 4.38Å; T347-F369 HydrophobicContact CG2-CE1 4.11Å; I361-F369 HydrophobicContact CG2-CB 3.89Å; V362-F369 CarbonylContact O-C 3.6Å; V362-F369 VanDerWaalsContact O-CA 3.27Å; V362-F369 WeakPolarHBondContact O-CA 3.37Å; D363-F369 HydrophobicContact CB-CD1 4.13Å; D363-F369 HydrophobicContact CB-CE1 3.96Å; Q367-F369 HydrophobicContact CB-CE2 4.01Å; Q367-F369 HydrophobicContact CB-CZ 3.99Å; Q367-F369 WeakPolarHBondContact O-CD2 3.45Å; Q367-F369 WeakPolarHBondContact O-CE2 3.2Å |
| 370 | E | 95.7 | Very high | 90.1 | Very high | 69 Ų | 69 | 41.8 Ų | 41.8 | 32% | 0.322 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 130.4 | 176 | -64.8 | -173.8 | 144.1 | 0 | 0 | 109.3 | I361 V362 A364 | I361-E370 WeakPolarHBondContact CA-O 3.27Å; V362-E370 HydrophobicContact CG2-CB 4.2Å; V362-E370 WeakPolarHBondContact CG2-O 2.87Å; V362-E370 PolarHBondContact N-O 3Å; V362-E370 PolarHBondContact O-N 2.8Å; A364-E370 HydrophobicContact CB-CG 4.28Å |
| 371 | C | 96.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 121.5 | 174.4 | -172.7 | 0 | 0 | 0 | 0 | 109 | N286 L287 V289 A301 V360 I361 | N286-C371 CarbonylContact C-O 3.49Å; N286-C371 WeakPolarHBondContact CA-O 3.24Å; N286-C371 WeakPolarHBondContact CB-O 3.3Å; L287-C371 PolarHBondContact N-O 3.15Å; L287-C371 PolarHBondContact O-N 3.27Å; V289-C371 HydrophobicContact CG1-CB 3.72Å; V289-C371 HydrophobicContact CG2-CB 4.35Å; A301-C371 HydrophobicContact CB-CB 3.85Å; V360-C371 CarbonylContact O-C 3.23Å; V360-C371 VanDerWaalsContact O-CA 3.27Å; V360-C371 WeakPolarHBondContact O-CA 3.37Å; I361-C371 HydrophobicContact CG1-CB 4.19Å |
| 372 | H | 96.9 | Very high | 88.6 | Confident | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.009 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 136.1 | 174.5 | -64.3 | -93.1 | 0 | 0 | 0 | 109.4 | Y283 W339 A359 V360 F374 | Y283-H372 HydrophobicContact CE2-CB 4.3Å; Y283-H372 PolarHBondContact OH-ND1 3.43Å; W339-H372 AromaticContact CD1-CE1 3.49Å; W339-H372 VanDerWaalsContact CD1-CE1 3.49Å; W339-H372 AromaticContact CD1-NE2 3.97Å; W339-H372 AromaticContact CE2-CD2 3.83Å; W339-H372 AromaticContact CE2-CE1 3.64Å; W339-H372 AromaticContact CE2-ND1 3.96Å; W339-H372 AromaticContact CE2-NE2 3.53Å; W339-H372 AromaticContact CZ2-CD2 3.57Å; W339-H372 AromaticContact CZ2-CG 3.99Å; W339-H372 AromaticContact CZ2-NE2 3.69Å; W339-H372 AromaticContact NE1-CD2 3.88Å; W339-H372 AromaticContact NE1-CE1 3.08Å; W339-H372 PolarHBondContact NE1-CE1 2.97Å; W339-H372 AromaticContact NE1-ND1 3.8Å; W339-H372 AromaticContact NE1-NE2 3.09Å; W339-H372 PolarHBondContact NE1-NE2 2.62Å; A359-H372 VanDerWaalsContact CA-O 3.22Å; A359-H372 WeakPolarHBondContact CA-O 3.25Å; V360-H372 HydrophobicContact CG2-CB 4.08Å; V360-H372 PolarHBondContact N-O 3.29Å; V360-H372 PolarHBondContact O-N 3.16Å; H372-F374 HydrophobicContact CB-CE2 3.93Å; H372-F374 HydrophobicContact CB-CZ 3.95Å |
| 373 | V | 96.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 136.1 | -173.5 | -174.3 | 0 | 0 | 0 | 0 | 111.3 | Y283 I284 G285 I302 I305 F358 A359 | Y283-V373 WeakPolarHBondContact CD2-O 3.48Å; I284-V373 HydrophobicContact CB-CG1 4.46Å; I284-V373 HydrophobicContact CD1-CG1 3.93Å; I284-V373 HydrophobicContact CG1-CG1 4.37Å; I284-V373 PolarHBondContact N-O 2.74Å; G285-V373 PolarHBondContact O-N 3.45Å; I302-V373 HydrophobicContact CB-CG1 4.45Å; I302-V373 HydrophobicContact CG1-CG1 3.88Å; I302-V373 HydrophobicContact CG1-CG2 3.84Å; I302-V373 HydrophobicContact CG2-CG1 4.31Å; I305-V373 HydrophobicContact CD1-CB 4.17Å; I305-V373 HydrophobicContact CD1-CG2 3.54Å; F358-V373 WeakPolarHBondContact O-CA 3.48Å; A359-V373 HydrophobicContact CB-CG2 3.99Å |
| 374 | F | 96.3 | Very high | 88 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 143.5 | -175.2 | -49.2 | -88.7 | 0 | 0 | 0 | 110 | V281 Q282 Y283 I319 L328 F358 V360 H372 | V281-F374 HydrophobicContact CB-CB 4.36Å; V281-F374 HydrophobicContact CG2-CD1 3.98Å; Q282-F374 CarbonylContact O-C 3.54Å; Q282-F374 WeakPolarHBondContact O-CA 3.41Å; Y283-F374 AromaticContact CD2-CD1 3.84Å; Y283-F374 HydrophobicContact CD2-CD1 3.84Å; Y283-F374 AromaticContact CD2-CE1 3.58Å; Y283-F374 HydrophobicContact CD2-CE1 3.58Å; Y283-F374 HydrophobicContact CD2-CZ 4.3Å; Y283-F374 HydrophobicContact CE2-CE1 4.16Å; Y283-F374 HydrophobicContact CE2-CZ 4.46Å; I319-F374 HydrophobicContact CD1-CE1 4.44Å; I319-F374 HydrophobicContact CD1-CZ 4.25Å; L328-F374 HydrophobicContact CD1-CD1 4.38Å; L328-F374 HydrophobicContact CD1-CE1 3.82Å; L328-F374 HydrophobicContact CD2-CE1 4.08Å; F358-F374 HydrophobicContact CB-CB 4.44Å; F358-F374 AromaticContact CD1-CD2 3.87Å; F358-F374 HydrophobicContact CD1-CD2 3.87Å; F358-F374 PolarHBondContact N-O 3.48Å; F358-F374 PolarHBondContact O-N 3.08Å; V360-F374 HydrophobicContact CG2-CE2 4.23Å; H372-F374 HydrophobicContact CB-CE2 3.93Å; H372-F374 HydrophobicContact CB-CZ 3.95Å |
| 375 | W | 96 | Very high | 87.8 | Confident | 24 Ų | 24 | 51.7 Ų | 51.7 | 9% | 0.091 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 135.6 | 164.1 | -170.4 | -91.7 | 0 | 0 | 0 | 109.4 | V281 Q282 I284 M306 W314 H356 T357 E377 | V281-W375 WeakPolarHBondContact CA-O 3.41Å; V281-W375 WeakPolarHBondContact CB-O 3.27Å; Q282-W375 HydrophobicContact CB-CB 4.13Å; Q282-W375 PolarHBondContact N-O 2.78Å; Q282-W375 PolarHBondContact O-N 3.41Å; I284-W375 HydrophobicContact CD1-CB 4.08Å; I284-W375 HydrophobicContact CG1-CB 4.31Å; M306-W375 HydrophobicContact CE-CE3 4.29Å; M306-W375 HydrophobicContact CE-CZ3 3.87Å; W314-W375 HydrophobicContact CE3-CB 3.99Å; W314-W375 HydrophobicContact CE3-CG 4.17Å; W314-W375 HydrophobicContact CH2-CD2 4.03Å; W314-W375 AromaticContact CH2-CE3 3.66Å; W314-W375 HydrophobicContact CH2-CE3 3.66Å; W314-W375 HydrophobicContact CH2-CG 4.47Å; W314-W375 HydrophobicContact CH2-CZ3 4.17Å; W314-W375 HydrophobicContact CZ3-CB 3.77Å; W314-W375 AromaticContact CZ3-CD2 3.52Å; W314-W375 HydrophobicContact CZ3-CD2 3.52Å; W314-W375 AromaticContact CZ3-CE3 3.66Å; W314-W375 HydrophobicContact CZ3-CE3 3.66Å; W314-W375 AromaticContact CZ3-CG 3.57Å; W314-W375 HydrophobicContact CZ3-CG 3.57Å; W314-W375 HydrophobicContact CZ3-CZ3 4.47Å; H356-W375 HydrophobicContact CB-CD2 3.86Å; H356-W375 HydrophobicContact CB-CE3 4.07Å; H356-W375 HydrophobicContact CB-CH2 3.64Å; H356-W375 HydrophobicContact CB-CZ2 3.41Å; H356-W375 VanDerWaalsContact CB-CZ2 3.41Å; H356-W375 HydrophobicContact CB-CZ3 3.97Å; H356-W375 AromaticContact CG-CZ2 3.6Å; H356-W375 CarbonylContact O-C 3.49Å; H356-W375 WeakPolarHBondContact O-CA 3.45Å; T357-W375 HydrophobicContact CG2-CE3 3.84Å; T357-W375 HydrophobicContact CG2-CZ3 3.8Å; W375-E377 PolarHBondContact NE1-OE1 3.33Å |
| 376 | C | 92.6 | Very high | 87.9 | Confident | 4 Ų | 4 | 50.9 Ų | 50.9 | 3% | 0.027 | 27% | 0.271 | C | S | . | . | trans | -130.5 | 133.1 | -172.1 | -57.1 | 0 | 0 | 0 | 0 | 110.5 | H356 A380 I383 | H356-C376 WeakPolarHBondContact CB-O 3.44Å; H356-C376 PolarHBondContact O-N 3.3Å; C376-A380 HydrophobicContact CB-CB 4.37Å; C376-I383 HydrophobicContact CB-CG2 4.39Å | ||
| 377 | E | 88.9 | Confident | 88.1 | Confident | 126 Ų | 126 | 44.8 Ų | 44.8 | 59% | 0.589 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -115.9 | 132.3 | 178.3 | -68 | -71.9 | 164.1 | 0 | 0 | 109.1 | W375 | W375-E377 PolarHBondContact NE1-OE1 3.33Š|
| 378 | P | 86.7 | Confident | 88.2 | Confident | 94 Ų | 94 | 43.6 Ų | 43.6 | 61% | 0.61 | 23% | 0.228 | S | C | * | . | S | Bend | cis | -79 | -15.5 | -2.2 | 34.4 | -36.9 | 0 | 0 | 0 | 113.9 | H356 | H356-P378 PolarHBondContact CD2-O 3.4Å; H356-P378 PolarHBondContact NE2-O 2.72Å |
| 379 | D | 89.6 | Confident | 87.7 | Confident | 68 Ų | 68 | 39.4 Ų | 39.4 | 36% | 0.364 | 22% | 0.215 | S | C | . | . | trans | -161.3 | 170.2 | 176.3 | 64.1 | 68.8 | 0 | 0 | 0 | 111.9 | G381 | D379-G381 VanDerWaalsContact C-N 3.31Å; D379-G381 PolarHBondContact O-N 3.05Å; D379-G381 VanDerWaalsContact OD1-CA 3.3Å; D379-G381 WeakPolarHBondContact OD1-CA 3.29Å; D379-G381 PolarHBondContact OD1-N 3.13Å | ||
| 380 | A | 85.6 | Confident | 87.1 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -81.3 | 0 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | V351 S355 F358 C376 I383 S384 | V351-A380 HydrophobicContact CB-CB 4.45Å; V351-A380 HydrophobicContact CG1-CB 3.99Å; V351-A380 HydrophobicContact CG2-CB 3.78Å; S355-A380 VanDerWaalsContact O-CB 3.22Å; S355-A380 WeakPolarHBondContact O-CB 3.34Å; S355-A380 PolarHBondContact O-N 2.81Å; F358-A380 HydrophobicContact CB-CB 3.79Å; C376-A380 HydrophobicContact CB-CB 4.37Å; A380-I383 HydrophobicContact CB-CG2 4.28Å; A380-I383 WeakPolarHBondContact O-CG2 3.29Å; A380-S384 VanDerWaalsContact O-CB 3.28Å; A380-S384 WeakPolarHBondContact O-CB 3.37Å; A380-S384 PolarHBondContact O-N 3.25Å; A380-S384 PolarHBondContact O-OG 2.89Å; A380-S384 VanDerWaalsContact O-OG 3.14Å |
| 381 | G | 77.1 | Confident | 86.2 | Confident | 32 Ų | 32 | 35.9 Ų | 35.9 | 33% | 0.33 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.6 | -56.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D379 I383 S384 E385 | D379-G381 VanDerWaalsContact C-N 3.31Å; D379-G381 PolarHBondContact O-N 3.05Å; D379-G381 VanDerWaalsContact OD1-CA 3.3Å; D379-G381 WeakPolarHBondContact OD1-CA 3.29Å; D379-G381 PolarHBondContact OD1-N 3.13Å; G381-I383 PolarHBondContact O-N 2.91Å; G381-S384 PolarHBondContact O-N 2.98Å; G381-S384 PolarHBondContact O-OG 2.85Å; G381-E385 PolarHBondContact O-N 3.06Å |
| 382 | I | 79.5 | Confident | 85.1 | Confident | 106 Ų | 106 | 39.4 Ų | 39.4 | 54% | 0.544 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.5 | -41.7 | -174.7 | -52.8 | 178.5 | 0 | 0 | 0 | 111.6 | F279 A386 | F279-I382 HydrophobicContact CE1-CG2 3.73Å; F279-I382 HydrophobicContact CZ-CG2 4.44Å; I382-A386 WeakPolarHBondContact O-CB 3.32Å; I382-A386 PolarHBondContact O-N 2.85Å |
| 383 | I | 85.5 | Confident | 83.7 | Confident | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.8 | -42.1 | 177.4 | -178.9 | 175.1 | 0 | 0 | 0 | 111.5 | V281 I319 I321 F358 C376 A380 G381 E385 A386 V387 | V281-I383 HydrophobicContact CG1-CD1 3.94Å; I319-I383 HydrophobicContact CD1-CD1 4.26Å; I319-I383 HydrophobicContact CG2-CD1 3.63Å; I319-I383 HydrophobicContact CG2-CG1 4.47Å; I321-I383 HydrophobicContact CD1-CG1 4.11Å; F358-I383 HydrophobicContact CB-CG2 4.3Å; F358-I383 HydrophobicContact CD1-CD1 3.57Å; F358-I383 HydrophobicContact CD1-CG1 3.91Å; F358-I383 HydrophobicContact CD1-CG2 4.29Å; F358-I383 HydrophobicContact CD2-CG2 4.5Å; F358-I383 HydrophobicContact CE1-CD1 3.93Å; F358-I383 HydrophobicContact CE1-CG1 3.91Å; F358-I383 HydrophobicContact CG-CD1 4.37Å; F358-I383 HydrophobicContact CG-CG2 4.1Å; C376-I383 HydrophobicContact CB-CG2 4.39Å; A380-I383 HydrophobicContact CB-CG2 4.28Å; A380-I383 WeakPolarHBondContact O-CG2 3.29Å; G381-I383 PolarHBondContact O-N 2.91Å; I383-E385 PolarHBondContact O-N 3.16Å; I383-A386 WeakPolarHBondContact O-CB 3.3Å; I383-A386 PolarHBondContact O-N 3.26Å; I383-A386 VanDerWaalsContact O-N 3.17Å; I383-V387 HydrophobicContact CG1-CG2 4.46Å; I383-V387 WeakPolarHBondContact O-CG2 3.48Å; I383-V387 PolarHBondContact O-N 2.84Å |
| 384 | S | 83.9 | Confident | 82.2 | Confident | 22 Ų | 22 | 44.4 Ų | 44.4 | 15% | 0.154 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.5 | -41.9 | 177.8 | 71.2 | 0 | 0 | 0 | 0 | 112.2 | A380 G381 A386 V387 Q388 | A380-S384 VanDerWaalsContact O-CB 3.28Å; A380-S384 WeakPolarHBondContact O-CB 3.37Å; A380-S384 PolarHBondContact O-N 3.25Å; A380-S384 PolarHBondContact O-OG 2.89Å; A380-S384 VanDerWaalsContact O-OG 3.14Å; G381-S384 PolarHBondContact O-N 2.98Å; G381-S384 PolarHBondContact O-OG 2.85Å; S384-A386 VanDerWaalsContact C-N 3.33Å; S384-A386 PolarHBondContact O-N 2.88Å; S384-V387 PolarHBondContact O-N 3Å; S384-Q388 VanDerWaalsContact O-CB 3.28Å; S384-Q388 WeakPolarHBondContact O-CB 3.47Å; S384-Q388 PolarHBondContact O-N 2.87Å |
| 385 | E | 80.3 | Confident | 80.6 | Confident | 140 Ų | 140 | 47.4 Ų | 47.4 | 65% | 0.654 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -59.8 | -42.6 | 172.3 | -170 | -171.9 | 162.2 | 0 | 0 | 111.2 | G381 I383 Q388 A389 | G381-E385 PolarHBondContact O-N 3.06Å; I383-E385 PolarHBondContact O-N 3.16Å; E385-Q388 PolarHBondContact O-N 3.33Å; E385-A389 VanDerWaalsContact O-CB 3.3Å; E385-A389 WeakPolarHBondContact O-CB 3.38Å; E385-A389 PolarHBondContact O-N 3.34Å |
| 386 | A | 82.4 | Confident | 78.8 | Confident | 8 Ų | 8 | 51.3 Ų | 51.3 | 7% | 0.066 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | F279 I321 I382 I383 S384 A390 | F279-A386 HydrophobicContact CE2-CB 3.74Å; F279-A386 HydrophobicContact CZ-CB 3.68Å; I321-A386 HydrophobicContact CD1-CB 3.9Å; I382-A386 WeakPolarHBondContact O-CB 3.32Å; I382-A386 PolarHBondContact O-N 2.85Å; I383-A386 WeakPolarHBondContact O-CB 3.3Å; I383-A386 PolarHBondContact O-N 3.26Å; I383-A386 VanDerWaalsContact O-N 3.17Å; S384-A386 VanDerWaalsContact C-N 3.33Å; S384-A386 PolarHBondContact O-N 2.88Å; A386-A390 PolarHBondContact O-N 3.11Å; A386-A390 VanDerWaalsContact O-N 3.16Å |
| 387 | V | 84.6 | Confident | 77.2 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.4 | -42.7 | 175.5 | -176.2 | 0 | 0 | 0 | 0 | 110.7 | I321 L326 L346 L349 F358 I383 S384 A389 A390 C391 | I321-V387 HydrophobicContact CD1-CG2 3.51Å; I321-V387 HydrophobicContact CG1-CG2 4.41Å; L326-V387 HydrophobicContact CD1-CG1 4.24Å; L326-V387 HydrophobicContact CD1-CG2 4.18Å; L326-V387 HydrophobicContact CD2-CG1 4.33Å; L326-V387 HydrophobicContact CD2-CG2 4.22Å; L346-V387 HydrophobicContact CD1-CG1 3.77Å; L349-V387 HydrophobicContact CD2-CB 4.44Å; L349-V387 HydrophobicContact CD2-CG1 3.95Å; F358-V387 HydrophobicContact CE1-CG2 3.87Å; F358-V387 HydrophobicContact CZ-CB 4.13Å; F358-V387 HydrophobicContact CZ-CG2 3.69Å; I383-V387 HydrophobicContact CG1-CG2 4.46Å; I383-V387 WeakPolarHBondContact O-CG2 3.48Å; I383-V387 PolarHBondContact O-N 2.84Å; S384-V387 PolarHBondContact O-N 3Å; V387-A389 PolarHBondContact O-N 2.92Å; V387-A390 WeakPolarHBondContact O-CB 3.36Å; V387-A390 PolarHBondContact O-N 3.21Å; V387-C391 PolarHBondContact O-N 2.83Å; V387-C391 PolarHBondContact O-SG 2.97Å |
| 388 | Q | 78.2 | Confident | 75.7 | Confident | 73 Ų | 73 | 51.1 Ų | 51.1 | 34% | 0.341 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.9 | -45.9 | 176.8 | 180 | 176 | -19.9 | 0 | 0 | 111.5 | S384 E385 A390 C391 M392 | S384-Q388 VanDerWaalsContact O-CB 3.28Å; S384-Q388 WeakPolarHBondContact O-CB 3.47Å; S384-Q388 PolarHBondContact O-N 2.87Å; E385-Q388 PolarHBondContact O-N 3.33Å; Q388-A390 VanDerWaalsContact C-N 3.33Å; Q388-A390 PolarHBondContact O-N 2.88Å; Q388-C391 WeakPolarHBondContact O-CB 3.49Å; Q388-C391 PolarHBondContact O-N 2.57Å; Q388-M392 HydrophobicContact CG-SD 4.27Å; Q388-M392 WeakPolarHBondContact O-CG 3.4Å; Q388-M392 PolarHBondContact O-N 3.49Å |
| 389 | A | 75.3 | Confident | 74 | Confident | 41 Ų | 41 | 50.4 Ų | 50.4 | 34% | 0.339 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.9 | -39.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E385 V387 M392 L393 | E385-A389 VanDerWaalsContact O-CB 3.3Å; E385-A389 WeakPolarHBondContact O-CB 3.38Å; E385-A389 PolarHBondContact O-N 3.34Å; V387-A389 PolarHBondContact O-N 2.92Å; A389-M392 PolarHBondContact O-N 3.05Å; A389-L393 VanDerWaalsContact O-CG 3.32Å; A389-L393 WeakPolarHBondContact O-CG 3.33Å; A389-L393 PolarHBondContact O-N 3.49Å |
| 390 | A | 81.1 | Confident | 72 | Confident | 5 Ų | 5 | 52 Ų | 52 | 4% | 0.041 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | I321 S322 V343 A386 V387 Q388 L393 Q394 | I321-A390 HydrophobicContact CG2-CB 4.08Å; S322-A390 WeakPolarHBondContact O-CB 3.34Å; V343-A390 HydrophobicContact CG1-CB 4.43Å; V343-A390 HydrophobicContact CG2-CB 4.25Å; A386-A390 PolarHBondContact O-N 3.11Å; A386-A390 VanDerWaalsContact O-N 3.16Å; V387-A390 WeakPolarHBondContact O-CB 3.36Å; V387-A390 PolarHBondContact O-N 3.21Å; Q388-A390 VanDerWaalsContact C-N 3.33Å; Q388-A390 PolarHBondContact O-N 2.88Å; A390-L393 PolarHBondContact O-N 3Å; A390-Q394 PolarHBondContact O-N 2.83Å; A390-Q394 VanDerWaalsContact O-N 3.16Å |
| 391 | C | 76.9 | Confident | 70.2 | Confident | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.02 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.7 | -47.4 | 175.7 | -62.5 | 0 | 0 | 0 | 0 | 111.9 | V343 V387 Q388 L393 Q394 Y395 | V343-C391 HydrophobicContact CG1-CB 4.38Å; V387-C391 PolarHBondContact O-N 2.83Å; V387-C391 PolarHBondContact O-SG 2.97Å; Q388-C391 WeakPolarHBondContact O-CB 3.49Å; Q388-C391 PolarHBondContact O-N 2.57Å; C391-L393 VanDerWaalsContact C-N 3.33Å; C391-L393 PolarHBondContact O-N 2.7Å; C391-Q394 PolarHBondContact O-N 3.08Å; C391-Y395 PolarHBondContact O-N 2.87Å |
| 392 | M | 72.1 | Confident | 68.6 | Low | 73 Ų | 73 | 59.8 Ų | 59.8 | 36% | 0.36 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.3 | -40.2 | 178.2 | -69.1 | 178.8 | 76.8 | 0 | 0 | 112.4 | Q388 A389 Q394 Y395 Q396 | Q388-M392 HydrophobicContact CG-SD 4.27Å; Q388-M392 WeakPolarHBondContact O-CG 3.4Å; Q388-M392 PolarHBondContact O-N 3.49Å; A389-M392 PolarHBondContact O-N 3.05Å; M392-Q394 PolarHBondContact O-N 2.91Å; M392-Y395 PolarHBondContact O-N 3.37Å; M392-Q396 WeakPolarHBondContact O-CG 3.4Å; M392-Q396 PolarHBondContact O-N 3.45Å |
| 393 | L | 68.4 | Low | 66.3 | Low | 77 Ų | 77 | 59.3 Ų | 59.3 | 40% | 0.403 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.4 | -33.6 | 177 | -73.7 | 170.8 | 0 | 0 | 0 | 112.9 | A389 A390 C391 K397 | A389-L393 VanDerWaalsContact O-CG 3.32Å; A389-L393 WeakPolarHBondContact O-CG 3.33Å; A389-L393 PolarHBondContact O-N 3.49Å; A390-L393 PolarHBondContact O-N 3Å; C391-L393 VanDerWaalsContact C-N 3.33Å; C391-L393 PolarHBondContact O-N 2.7Å; L393-K397 VanDerWaalsContact O-CD 3.32Å; L393-K397 WeakPolarHBondContact O-CD 3.44Å; L393-K397 VanDerWaalsContact O-CG 3.26Å; L393-K397 WeakPolarHBondContact O-CG 3.45Å; L393-K397 PolarHBondContact O-N 2.81Å |
| 394 | Q | 66.2 | Low | 64 | Low | 30 Ų | 30 | 64.5 Ų | 64.5 | 14% | 0.14 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -70.3 | -43 | 172.4 | -75.8 | -59.7 | -40.5 | 0 | 0 | 112 | M7 D323 V343 A390 C391 M392 Q396 K397 C398 | M7-Q394 HydrophobicContact SD-CB 3.8Å; D323-Q394 VanDerWaalsContact O-CD 3.31Å; D323-Q394 WeakPolarHBondContact O-CG 3.36Å; D323-Q394 PolarHBondContact O-NE2 3.24Å; V343-Q394 HydrophobicContact CB-CG 4.27Å; V343-Q394 HydrophobicContact CG1-CB 4.36Å; V343-Q394 HydrophobicContact CG1-CG 3.87Å; A390-Q394 PolarHBondContact O-N 2.83Å; A390-Q394 VanDerWaalsContact O-N 3.16Å; C391-Q394 PolarHBondContact O-N 3.08Å; M392-Q394 PolarHBondContact O-N 2.91Å; Q394-Q396 PolarHBondContact O-N 3.47Å; Q394-K397 PolarHBondContact O-N 3.48Å; Q394-C398 PolarHBondContact O-N 2.88Å |
| 395 | Y | 62.6 | Low | 61.9 | Low | 63 Ų | 63 | 68.8 Ų | 68.8 | 25% | 0.247 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -57.2 | -48.2 | 175.4 | 178.7 | -110.6 | 0 | 0 | 0 | 111.7 | M7 L8 I11 C391 M392 K397 C398 L399 | M7-Y395 HydrophobicContact CB-CD2 4.39Å; M7-Y395 HydrophobicContact CE-CD2 4.5Å; L8-Y395 HydrophobicContact CD2-CE2 3.88Å; L8-Y395 HydrophobicContact CG-CE2 4.01Å; I11-Y395 HydrophobicContact CD1-CD1 3.52Å; I11-Y395 HydrophobicContact CD1-CD2 4.13Å; I11-Y395 HydrophobicContact CD1-CE1 4.05Å; I11-Y395 HydrophobicContact CD1-CG 3.56Å; C391-Y395 PolarHBondContact O-N 2.87Å; M392-Y395 PolarHBondContact O-N 3.37Å; Y395-K397 PolarHBondContact O-N 3.32Å; Y395-C398 WeakPolarHBondContact O-CB 3.35Å; Y395-C398 PolarHBondContact O-N 2.95Å; Y395-L399 HydrophobicContact CD1-CD1 4.06Å; Y395-L399 HydrophobicContact CE1-CD1 3.51Å; Y395-L399 HydrophobicContact CE1-CG 4.2Å; Y395-L399 HydrophobicContact CE2-CD2 4.4Å; Y395-L399 HydrophobicContact CE2-CG 4.37Å; Y395-L399 PolarHBondContact O-N 2.81Å |
| 396 | Q | 57.2 | Low | 60 | Low | 107 Ų | 107 | 67.7 Ų | 67.7 | 50% | 0.5 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -58.5 | -43.2 | 175.2 | -72.8 | 176.9 | -4.4 | 0 | 0 | 112.8 | M392 Q394 C398 L399 V400 | M392-Q396 WeakPolarHBondContact O-CG 3.4Å; M392-Q396 PolarHBondContact O-N 3.45Å; Q394-Q396 PolarHBondContact O-N 3.47Å; Q396-C398 VanDerWaalsContact C-N 3.34Å; Q396-C398 PolarHBondContact O-N 2.86Å; Q396-L399 PolarHBondContact O-N 2.79Å; Q396-V400 WeakPolarHBondContact O-CG2 3.39Å; Q396-V400 PolarHBondContact O-N 3.47Å |
| 397 | K | 58.7 | Low | 58.2 | Low | 77 Ų | 77 | 78.6 Ų | 78.6 | 34% | 0.335 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 176 | -74.3 | 162.2 | -169.4 | 155.9 | 0 | 112 | D323 L393 Q394 Y395 A401 | D323-K397 IonicContact OD2-NZ 2.71Å; D323-K397 PolarHBondContact OD2-NZ 2.8Å; L393-K397 VanDerWaalsContact O-CD 3.32Å; L393-K397 WeakPolarHBondContact O-CD 3.44Å; L393-K397 VanDerWaalsContact O-CG 3.26Å; L393-K397 WeakPolarHBondContact O-CG 3.45Å; L393-K397 PolarHBondContact O-N 2.81Å; Q394-K397 PolarHBondContact O-N 3.48Å; Y395-K397 PolarHBondContact O-N 3.32Å; K397-A401 VanDerWaalsContact O-CB 3.29Å; K397-A401 WeakPolarHBondContact O-CB 3.41Å; K397-A401 PolarHBondContact O-N 3.06Å |
| 398 | C | 57.3 | Low | 55.8 | Low | 48 Ų | 48 | 84.7 Ų | 84.7 | 32% | 0.324 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.8 | -38.3 | 173.8 | -74.8 | 0 | 0 | 0 | 0 | 112.4 | Q394 Y395 Q396 Q402 | Q394-C398 PolarHBondContact O-N 2.88Å; Y395-C398 WeakPolarHBondContact O-CB 3.35Å; Y395-C398 PolarHBondContact O-N 2.95Å; Q396-C398 VanDerWaalsContact C-N 3.34Å; Q396-C398 PolarHBondContact O-N 2.86Å; C398-Q402 WeakPolarHBondContact O-CG 3.44Å; C398-Q402 PolarHBondContact O-NE2 2.63Å |
| 399 | L | 50.9 | Low | 54 | Low | 80 Ų | 80 | 90.4 Ų | 90.4 | 42% | 0.419 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.8 | -50.3 | 175.3 | -69.8 | 178.2 | 0 | 0 | 0 | 112 | Y395 Q396 A401 Q402 | Y395-L399 HydrophobicContact CD1-CD1 4.06Å; Y395-L399 HydrophobicContact CE1-CD1 3.51Å; Y395-L399 HydrophobicContact CE1-CG 4.2Å; Y395-L399 HydrophobicContact CE2-CD2 4.4Å; Y395-L399 HydrophobicContact CE2-CG 4.37Å; Y395-L399 PolarHBondContact O-N 2.81Å; Q396-L399 PolarHBondContact O-N 2.79Å; L399-A401 PolarHBondContact O-N 3.02Å; L399-Q402 PolarHBondContact O-N 2.95Å |
| 400 | V | 48 | Very low | 52 | Low | 101 Ų | 101 | 93.1 Ų | 93.1 | 61% | 0.612 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.7 | -43.4 | -178 | 174 | 0 | 0 | 0 | 0 | 111.2 | Q396 Q402 T403 | Q396-V400 WeakPolarHBondContact O-CG2 3.39Å; Q396-V400 PolarHBondContact O-N 3.47Å; V400-Q402 PolarHBondContact O-N 2.83Å; V400-Q402 VanDerWaalsContact O-N 3.08Å; V400-T403 PolarHBondContact O-N 3.46Å; V400-T403 PolarHBondContact O-OG1 2.83Å |
| 401 | A | 48.2 | Very low | 49.7 | Very low | 89 Ų | 89 | 104.8 Ų | 104.8 | 74% | 0.736 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -12.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | K397 L399 | K397-A401 VanDerWaalsContact O-CB 3.29Å; K397-A401 WeakPolarHBondContact O-CB 3.41Å; K397-A401 PolarHBondContact O-N 3.06Å; L399-A401 PolarHBondContact O-N 3.02Å |
| 402 | Q | 43.2 | Very low | 47.7 | Very low | 106 Ų | 106 | 115 Ų | 115 | 50% | 0.495 | 59% | 0.589 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.7 | -5.1 | 176 | -72.3 | 174.4 | 90.6 | 0 | 0 | 113.5 | C398 L399 V400 P404 | C398-Q402 WeakPolarHBondContact O-CG 3.44Å; C398-Q402 PolarHBondContact O-NE2 2.63Å; L399-Q402 PolarHBondContact O-N 2.95Å; V400-Q402 PolarHBondContact O-N 2.83Å; V400-Q402 VanDerWaalsContact O-N 3.08Å; Q402-P404 WeakPolarHBondContact O-CD 3.38Å |
| 403 | T | 31.2 | Very low | 45.9 | Very low | 97 Ų | 97 | 116.1 Ų | 116.1 | 60% | 0.595 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -72.6 | 125.5 | 172.7 | 57.1 | 0 | 0 | 0 | 0 | 110.5 | V400 | V400-T403 PolarHBondContact O-N 3.46Å; V400-T403 PolarHBondContact O-OG1 2.83Å |
| 404 | P | 36.4 | Very low | 44.1 | Very low | 114 Ų | 114 | 117.9 Ų | 117.9 | 74% | 0.74 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 137.9 | 175.2 | -19.7 | 31.9 | 0 | 0 | 0 | 110.1 | Q402 | Q402-P404 WeakPolarHBondContact O-CD 3.38Š|
| 405 | P | 41.3 | Very low | 42.6 | Very low | 112 Ų | 112 | 122.5 Ų | 122.5 | 73% | 0.727 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -59 | 136.2 | 176.5 | 24.1 | -33.3 | 0 | 0 | 0 | 109.8 | R407 | P405-R407 PolarHBondContact O-N 3.31Å; P405-R407 VanDerWaalsContact O-N 3.13Å |
| 406 | P | 40.7 | Very low | 41.1 | Very low | 117 Ų | 117 | 124.8 Ų | 124.8 | 76% | 0.76 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 122 | -177.4 | 23.5 | -32.9 | 0 | 0 | 0 | 109.6 | T408 | P406-T408 PolarHBondContact O-N 2.79Š|
| 407 | R | 43.8 | Very low | 40 | Very low | 237 Ų | 237 | 129.3 Ų | 129.3 | 89% | 0.894 | 70% | 0.7 | S | S | * | * | trans | -65.9 | 96.7 | 177.3 | -65.6 | -178.5 | 79.9 | 161.8 | 6 | 108.7 | P405 K409 | P405-R407 PolarHBondContact O-N 3.31Å; P405-R407 VanDerWaalsContact O-N 3.13Å; R407-K409 PolarHBondContact O-N 3.24Å | ||
| 408 | T | 35.1 | Very low | 38.8 | Very low | 129 Ų | 129 | 131.8 Ų | 131.8 | 79% | 0.791 | 72% | 0.721 | S | S | * | * | trans | -58.6 | 109.1 | 175.9 | 44.7 | 0 | 0 | 0 | 0 | 109.3 | P406 S410 | P406-T408 PolarHBondContact O-N 2.79Å; T408-S410 PolarHBondContact O-N 3.38Å | ||
| 409 | K | 40 | Very low | 37.5 | Very low | 193 Ų | 193 | 139.5 Ų | 139.5 | 84% | 0.839 | 75% | 0.749 | S | S | * | * | trans | -71.8 | 80.2 | 172.5 | -70.9 | -179.1 | -178.4 | 173.2 | 0 | 108.3 | R407 W411 | R407-K409 PolarHBondContact O-N 3.24Å; K409-W411 PolarHBondContact O-N 3.28Å | ||
| 410 | S | 32.7 | Very low | 36.5 | Very low | 98 Ų | 98 | 146.1 Ų | 146.1 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | trans | -58.7 | 110.6 | 172.1 | -177.9 | 0 | 0 | 0 | 0 | 109 | T408 R412 | T408-S410 PolarHBondContact O-N 3.38Å; S410-R412 VanDerWaalsContact C-N 3.31Å; S410-R412 PolarHBondContact O-N 3.48Å | ||
| 411 | W | 32.7 | Very low | 35.6 | Very low | 250 Ų | 250 | 145 Ų | 145 | 95% | 0.947 | 77% | 0.77 | S | S | * | * | trans | -67.6 | 91.7 | 167.9 | -83.5 | 50 | 0 | 0 | 0 | 108.7 | K409 | K409-W411 PolarHBondContact O-N 3.28Š| ||
| 412 | R | 35 | Very low | 34.6 | Very low | 216 Ų | 216 | 148.3 Ų | 148.3 | 82% | 0.815 | 78% | 0.775 | S | S | * | * | trans | -98.8 | 101.3 | 154.1 | -121.4 | -164.9 | -93.4 | -99.7 | 7.4 | 108.4 | S410 T414 | S410-R412 VanDerWaalsContact C-N 3.31Å; S410-R412 PolarHBondContact O-N 3.48Å; R412-T414 PolarHBondContact O-N 3.06Å | ||
| 413 | A | 33.5 | Very low | 33.9 | Very low | 98 Ų | 98 | 148.3 Ų | 148.3 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -63.8 | 119.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 414 | T | 32.4 | Very low | 33.9 | Very low | 113 Ų | 113 | 150.8 Ų | 150.8 | 69% | 0.693 | 79% | 0.793 | S | S | * | * | trans | -124.2 | 125.8 | 161.5 | 51.9 | 0 | 0 | 0 | 0 | 108 | R412 S416 | R412-T414 PolarHBondContact O-N 3.06Å; T414-S416 PolarHBondContact O-N 3.28Å | ||
| 415 | P | 33.8 | Very low | 33.7 | Very low | 127 Ų | 127 | 152.4 Ų | 152.4 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | -83.1 | 89.5 | -172.7 | 31.9 | -34.1 | 0 | 0 | 0 | 110.9 | K417 | P415-K417 PolarHBondContact O-N 3.5Å; P415-K417 VanDerWaalsContact O-N 3.08Å | ||
| 416 | S | 30.2 | Very low | 33 | Very low | 111 Ų | 111 | 150.1 Ų | 150.1 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -71.7 | 98.5 | 168.1 | 48.2 | 0 | 0 | 0 | 0 | 110.2 | T414 V418 | T414-S416 PolarHBondContact O-N 3.28Å; S416-V418 PolarHBondContact O-N 3.22Å | ||
| 417 | K | 34.1 | Very low | 32.4 | Very low | 203 Ų | 203 | 152.9 Ų | 152.9 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | trans | -57.7 | 122 | 174.4 | -77.7 | -179.5 | 176 | 175.3 | 0 | 110.6 | P415 K419 | P415-K417 PolarHBondContact O-N 3.5Å; P415-K417 VanDerWaalsContact O-N 3.08Å; K417-K419 PolarHBondContact O-N 3.08Å | ||
| 418 | V | 34.2 | Very low | 31.7 | Very low | 128 Ų | 128 | 146.1 Ų | 146.1 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | -65.1 | 129.2 | 168 | 178.3 | 0 | 0 | 0 | 0 | 109.5 | S416 | S416-V418 PolarHBondContact O-N 3.22Š| ||
| 419 | K | 30.3 | Very low | 31.3 | Very low | 211 Ų | 211 | 149.8 Ų | 149.8 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | trans | -133.3 | 135.9 | 152 | -160.5 | 171.7 | -177.3 | -177.2 | 0 | 109.9 | K417 | K417-K419 PolarHBondContact O-N 3.08Š| ||
| 420 | R | 30.5 | Very low | 31.8 | Very low | 219 Ų | 219 | 146 Ų | 146 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | trans | -108.7 | 135.2 | -163.2 | -176.6 | -169.5 | -70.1 | 152.5 | -5.6 | 110.6 | ||||
| 421 | A | 28.5 | Very low | 32.4 | Very low | 77 Ų | 77 | 146 Ų | 146 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | trans | 60.8 | 138.1 | 151.8 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 422 | N | 27.5 | Very low | 32.2 | Very low | 159 Ų | 159 | 141.9 Ų | 141.9 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | trans | 58 | 124.6 | 143.1 | -56 | 1.4 | 0 | 0 | 0 | 120.9 | ||||
| 423 | S | 29 | Very low | 32 | Very low | 105 Ų | 105 | 137.7 Ų | 137.7 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | 169.9 | 141 | 90.2 | -159.6 | 0 | 0 | 0 | 0 | 114 | |||||
| 424 | M | 30.2 | Very low | 31.7 | Very low | 149 Ų | 149 | 137 Ų | 137 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | 31.8 | 136.1 | 152.1 | -75.6 | 161.4 | 65.7 | 0 | 0 | 124.4 | ||||
| 425 | D | 31.3 | Very low | 31.7 | Very low | 148 Ų | 148 | 139.6 Ų | 139.6 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | 53.9 | 147.3 | 139.2 | -47.5 | -28.1 | 0 | 0 | 0 | 120.9 | ||||
| 426 | G | 27.3 | Very low | 31.5 | Very low | 64 Ų | 64 | 140.8 Ų | 140.8 | 66% | 0.66 | 77% | 0.774 | S | S | * | * | cis | 169.9 | 159.6 | -4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 427 | I | 29.2 | Very low | 31.5 | Very low | 175 Ų | 175 | 144.1 Ų | 144.1 | 90% | 0.897 | 78% | 0.777 | S | S | * | * | trans | 51.4 | 113.6 | 157.7 | -47.6 | 176.2 | 0 | 0 | 0 | 119.5 | ||||
| 428 | A | 27.5 | Very low | 31.3 | Very low | 96 Ų | 96 | 138 Ų | 138 | 79% | 0.793 | 77% | 0.771 | S | S | * | * | 172.3 | 144 | 123.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 429 | F | 27.2 | Very low | 31.1 | Very low | 206 Ų | 206 | 139.5 Ų | 139.5 | 90% | 0.904 | 78% | 0.775 | S | S | * | * | trans | -107.1 | -174.3 | 172.1 | -85.5 | -84.9 | 0 | 0 | 0 | 110.1 | ||||
| 430 | P | 51.4 | Low | 31.1 | Very low | 113 Ų | 113 | 133.8 Ų | 133.8 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | cis | -118.9 | -111.3 | -21.9 | 22.9 | 2.4 | 0 | 0 | 0 | 109.4 | ||||
| 431 | P | 44.8 | Very low | 31.2 | Very low | 97 Ų | 97 | 128.1 Ų | 128.1 | 63% | 0.63 | 76% | 0.756 | S | S | * | * | cis | -131.6 | 154.5 | -45.9 | 34.5 | -16.3 | 0 | 0 | 0 | 117.5 | ||||
| 432 | L | 28.4 | Very low | 31.4 | Very low | 164 Ų | 164 | 129.3 Ų | 129.3 | 86% | 0.859 | 76% | 0.759 | S | S | * | * | trans | 66.8 | 145.5 | 151 | -64.3 | 159 | 0 | 0 | 0 | 117.9 | ||||
| 433 | T | 30.1 | Very low | 31.6 | Very low | 129 Ų | 129 | 126.6 Ų | 126.6 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | cis | -141.9 | 164.9 | 28.6 | 45.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 434 | S | 27.9 | Very low | 31.8 | Very low | 82 Ų | 82 | 127.3 Ų | 127.3 | 57% | 0.573 | 75% | 0.753 | S | S | * | * | trans | -36.3 | 151.2 | 169.3 | 55.2 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 435 | H | 31.7 | Very low | 31.8 | Very low | 168 Ų | 168 | 125.7 Ų | 125.7 | 78% | 0.778 | 75% | 0.751 | S | S | * | * | -167.1 | 168.5 | 104.2 | -101.2 | -61.9 | 0 | 0 | 0 | 114.4 | |||||
| 436 | H | 30.7 | Very low | 31.8 | Very low | 153 Ų | 153 | 126.1 Ų | 126.1 | 71% | 0.708 | 75% | 0.753 | S | S | * | * | trans | -75.5 | 178.2 | -172.8 | -47 | -60.7 | 0 | 0 | 0 | 113.4 | ||||
| 437 | H | 30.8 | Very low | 32 | Very low | 180 Ų | 180 | 128.7 Ų | 128.7 | 83% | 0.833 | 76% | 0.755 | S | S | * | * | cis | -159.1 | 156.7 | 17 | -121.7 | -49.6 | 0 | 0 | 0 | 109.7 | ||||
| 438 | G | 27.9 | Very low | 32.4 | Very low | 75 Ų | 75 | 126.4 Ų | 126.4 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | trans | 170.5 | 109.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 439 | N | 30.1 | Very low | 32.6 | Very low | 159 Ų | 159 | 129.6 Ų | 129.6 | 85% | 0.85 | 75% | 0.752 | S | S | * | * | trans | -55.2 | 159.7 | 168.1 | -87.3 | 11.4 | 0 | 0 | 0 | 113.1 | ||||
| 440 | S | 30.7 | Very low | 33.4 | Very low | 91 Ų | 91 | 125.1 Ų | 125.1 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | cis | -172.7 | 158.8 | -1.8 | 42.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 441 | S | 33 | Very low | 32.3 | Very low | 101 Ų | 101 | 129.5 Ų | 129.5 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | trans | 51.5 | 127.9 | 144.7 | 57.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 442 | S | 32.9 | Very low | 31.4 | Very low | 101 Ų | 101 | 128.6 Ų | 128.6 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | cis | -166.4 | 159.9 | 6.7 | -67.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 443 | S | 32.1 | Very low | 31.3 | Very low | 102 Ų | 102 | 126.3 Ų | 126.3 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | trans | 53.3 | 134.5 | 138.4 | 66.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 444 | T | 31.7 | Very low | 31.2 | Very low | 120 Ų | 120 | 124.7 Ų | 124.7 | 74% | 0.736 | 75% | 0.752 | S | S | * | * | cis | -169.9 | 150.6 | 2.7 | 2.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 445 | T | 31 | Very low | 31.2 | Very low | 115 Ų | 115 | 126.1 Ų | 126.1 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | trans | 18.1 | 147.7 | 138.9 | 55.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 446 | L | 31.7 | Very low | 31.1 | Very low | 158 Ų | 158 | 123.7 Ų | 123.7 | 83% | 0.827 | 76% | 0.763 | S | S | * | * | cis | -164.4 | 163.3 | 16.3 | -117.8 | 157.8 | 0 | 0 | 0 | 110.7 | ||||
| 447 | V | 31.2 | Very low | 31 | Very low | 117 Ų | 117 | 124.2 Ų | 124.2 | 71% | 0.709 | 77% | 0.772 | S | S | * | * | trans | -102.4 | 152.8 | 170.3 | -168.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 448 | P | 38.3 | Very low | 31 | Very low | 127 Ų | 127 | 122.7 Ų | 122.7 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | -142.5 | 141.4 | 111.4 | 28.9 | -10.7 | 0 | 0 | 0 | 115.2 | |||||
| 449 | M | 31.9 | Very low | 31.3 | Very low | 163 Ų | 163 | 130.5 Ų | 130.5 | 80% | 0.803 | 78% | 0.78 | S | S | * | * | trans | -84.7 | 159.9 | 160 | -88.5 | -89.9 | 175.1 | 0 | 0 | 109.8 | ||||
| 450 | P | 43.6 | Very low | 31.4 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | -146.4 | 137 | 102.6 | 34.5 | -17.6 | 0 | 0 | 0 | 117.2 | |||||
| 451 | K | 28.2 | Very low | 31.2 | Very low | 205 Ų | 205 | 132.4 Ų | 132.4 | 89% | 0.891 | 79% | 0.791 | S | S | * | * | trans | 42.8 | 123.7 | 136.5 | -62.9 | -179.8 | 175.9 | 178.7 | 0 | 121.2 | ||||
| 452 | G | 25.6 | Very low | 31 | Very low | 77 Ų | 77 | 136.5 Ų | 136.5 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | 176.2 | 106 | 151.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 453 | S | 26.3 | Very low | 30.9 | Very low | 117 Ų | 117 | 140.9 Ų | 140.9 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -18 | 145.9 | 156.9 | -156.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 454 | S | 27.3 | Very low | 30.8 | Very low | 95 Ų | 95 | 140 Ų | 140 | 66% | 0.664 | 81% | 0.812 | S | S | * | * | cis | -172.7 | 161.9 | 8.2 | 25.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 455 | S | 28.1 | Very low | 30.7 | Very low | 111 Ų | 111 | 144.3 Ų | 144.3 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | trans | 84.2 | 146.7 | 149.7 | 78.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 456 | S | 30.8 | Very low | 30.8 | Very low | 117 Ų | 117 | 148.8 Ų | 148.8 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | trans | 62.4 | 105.7 | 170.5 | 56.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 457 | N | 27.3 | Very low | 30.8 | Very low | 165 Ų | 165 | 150.2 Ų | 150.2 | 88% | 0.882 | 83% | 0.833 | S | S | * | * | trans | -76.4 | 127.1 | 157.4 | -69.2 | -55 | 0 | 0 | 0 | 111 | ||||
| 458 | V | 31.8 | Very low | 30.7 | Very low | 147 Ų | 147 | 151.3 Ų | 151.3 | 89% | 0.891 | 84% | 0.84 | S | S | * | * | trans | -144.3 | 144.3 | 134.3 | -176.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 459 | R | 34.5 | Very low | 30.3 | Very low | 239 Ų | 239 | 155.9 Ų | 155.9 | 90% | 0.902 | 85% | 0.848 | S | S | * | * | trans | -52.2 | 137.2 | -167.3 | -65.1 | 165.9 | 175.8 | 155.2 | -1.5 | 116.6 | ||||
| 460 | K | 30.6 | Very low | 30.2 | Very low | 215 Ų | 215 | 159.1 Ų | 159.1 | 94% | 0.935 | 85% | 0.851 | S | S | * | * | trans | -57.7 | 145.9 | 152.9 | -75.6 | 175.5 | 170.8 | 177.3 | 0 | 110.8 | ||||
| 461 | G | 26.7 | Very low | 29.4 | Very low | 75 Ų | 75 | 160.6 Ų | 160.6 | 77% | 0.773 | 85% | 0.853 | S | S | * | * | trans | -173.2 | 69 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 462 | M | 28.9 | Very low | 29.4 | Very low | 188 Ų | 188 | 160 Ų | 160 | 93% | 0.926 | 85% | 0.85 | S | S | * | * | trans | 60.5 | 84.3 | 145.7 | -150.1 | 156.5 | 70.1 | 0 | 0 | 119 | ||||
| 463 | M | 31.1 | Very low | 29.6 | Very low | 193 Ų | 193 | 164.6 Ų | 164.6 | 95% | 0.951 | 85% | 0.851 | S | S | * | * | trans | -92.9 | 116.7 | 155.6 | -86.7 | -72.1 | -165.3 | 0 | 0 | 109.7 | ||||
| 464 | A | 29.4 | Very low | 29.9 | Very low | 84 Ų | 84 | 163.8 Ų | 163.8 | 69% | 0.694 | 85% | 0.852 | S | S | * | * | trans | 172.6 | 94.3 | 152.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 465 | F | 30.5 | Very low | 30 | Very low | 209 Ų | 209 | 163.2 Ų | 163.2 | 92% | 0.917 | 85% | 0.853 | S | S | * | * | trans | -159.3 | 31.5 | 161 | -110.9 | -66.4 | 0 | 0 | 0 | 113.9 | ||||
| 466 | F | 33 | Very low | 30.4 | Very low | 209 Ų | 209 | 164.7 Ų | 164.7 | 92% | 0.917 | 86% | 0.857 | S | S | * | * | trans | -135 | 64.5 | 174.7 | -90.4 | -76.6 | 0 | 0 | 0 | 111.1 | ||||
| 467 | E | 31.2 | Very low | 30.5 | Very low | 188 Ų | 188 | 168.3 Ų | 168.3 | 88% | 0.879 | 88% | 0.882 | S | S | * | * | trans | -166.4 | 68.8 | 161.6 | -123.8 | 178.4 | -176.6 | 0 | 0 | 114.3 | ||||
| 468 | T | 29.1 | Very low | 30.7 | Very low | 140 Ų | 140 | 168.5 Ų | 168.5 | 86% | 0.859 | 88% | 0.883 | S | S | * | * | trans | -155.4 | 84.4 | 159.4 | -1.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 469 | F | 30.2 | Very low | 30.6 | Very low | 223 Ų | 223 | 169.6 Ų | 169.6 | 98% | 0.978 | 88% | 0.882 | S | S | * | * | trans | -175 | 68.6 | 140.3 | -102.9 | -65.5 | 0 | 0 | 0 | 110.2 | ||||
| 470 | R | 30.1 | Very low | 30.4 | Very low | 231 Ų | 231 | 165.8 Ų | 165.8 | 87% | 0.872 | 88% | 0.881 | S | S | * | * | S | Bend | trans | -144.8 | 116.8 | 163.7 | -156 | 171 | -170.4 | 165.5 | 3.9 | 111.5 | ||
| 471 | N | 27.3 | Very low | 30.4 | Very low | 145 Ų | 145 | 162.9 Ų | 162.9 | 78% | 0.775 | 88% | 0.878 | S | S | * | * | trans | 61.7 | 100.5 | 165 | -64.3 | 2.5 | 0 | 0 | 0 | 119.4 | ||||
| 472 | K | 28.6 | Very low | 30.6 | Very low | 191 Ų | 191 | 168.4 Ų | 168.4 | 83% | 0.83 | 88% | 0.884 | S | S | * | * | -177.9 | 140 | 115.8 | -93.2 | 172.9 | -176.5 | 179.8 | 0 | 106.6 | |||||
| 473 | Q | 29 | Very low | 30.7 | Very low | 175 Ų | 175 | 167.1 Ų | 167.1 | 82% | 0.818 | 88% | 0.882 | S | S | * | * | cis | -154.6 | 148.6 | 12.6 | -133 | 161.1 | -8.5 | 0 | 0 | 109.6 | ||||
| 474 | A | 32.1 | Very low | 30.7 | Very low | 100 Ų | 100 | 165.2 Ų | 165.2 | 83% | 0.826 | 88% | 0.877 | S | S | * | * | trans | -104.8 | 129.3 | 158 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 475 | A | 30.7 | Very low | 30.8 | Very low | 83 Ų | 83 | 171.5 Ų | 171.5 | 69% | 0.686 | 89% | 0.891 | S | S | * | * | trans | -175.5 | 133.1 | 157.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 476 | T | 35.5 | Very low | 30.8 | Very low | 141 Ų | 141 | 168.3 Ų | 168.3 | 87% | 0.865 | 89% | 0.888 | S | S | * | * | trans | 64 | 129.1 | 170.8 | 66.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 477 | S | 33 | Very low | 30.6 | Very low | 194 Ų | 194 | 164.6 Ų | 164.6 | 100% | 1.357 | 89% | 0.886 | S | S | * | * | cis | -127.4 | 0 | 3.4 | -66.6 | 0 | 0 | 0 | 0 | 111.7 |
Retrieved 477 of 477 residues in 95.4 ms
(Link to these results)