| 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 | 37.1 | Very low | 42.7 | Very low | 224 Ų | 224 | 168.1 Ų | 168.1 | 100% | 1.103 | 87% | 0.867 | S | S | * | * | 0 | 132.2 | 0 | -146 | 164.6 | 85 | 0 | 0 | 106.9 | |||||
| 2 | W | 33.3 | Very low | 43.3 | Very low | 223 Ų | 223 | 164.3 Ų | 164.3 | 85% | 0.845 | 86% | 0.857 | S | S | * | * | trans | 88.5 | 95.2 | 174.3 | -62.2 | 76.3 | 0 | 0 | 0 | 118.9 | ||||
| 3 | L | 37.5 | Very low | 43.4 | Very low | 167 Ų | 167 | 169.4 Ų | 169.4 | 87% | 0.874 | 86% | 0.858 | S | S | * | * | trans | -57 | 142.8 | 146.3 | -76.2 | 129.2 | 0 | 0 | 0 | 111.2 | ||||
| 4 | T | 42.3 | Very low | 44.2 | Very low | 140 Ų | 140 | 167.3 Ų | 167.3 | 86% | 0.859 | 85% | 0.848 | S | S | * | * | trans | -169.8 | 135.5 | 144.7 | 45.8 | 0 | 0 | 0 | 0 | 106 | ||||
| 5 | G | 42.3 | Very low | 44.7 | Very low | 69 Ų | 69 | 162.7 Ų | 162.7 | 71% | 0.711 | 83% | 0.834 | S | S | * | * | cis | 162.8 | 97.3 | 3 | 0 | 0 | 0 | 0 | 0 | 105.5 | R7 | G5-R7 PolarHBondContact O-N 3.11Š| ||
| 6 | L | 44.3 | Very low | 45.1 | Very low | 166 Ų | 166 | 156.6 Ų | 156.6 | 87% | 0.869 | 82% | 0.824 | S | S | * | * | trans | -69.9 | 115 | 174.6 | -103.1 | 111.1 | 0 | 0 | 0 | 108.8 | F8 | L6-F8 PolarHBondContact O-N 3.07Š| ||
| 7 | R | 44.2 | Very low | 45.8 | Very low | 247 Ų | 247 | 154.5 Ų | 154.5 | 93% | 0.932 | 82% | 0.819 | S | S | * | * | trans | -74.7 | 105.5 | 173.3 | -72.1 | -171.5 | 174.4 | -161 | -1 | 109.4 | G5 A9 | G5-R7 PolarHBondContact O-N 3.11Å; R7-A9 PolarHBondContact O-N 3.35Å | ||
| 8 | F | 47.5 | Very low | 46.1 | Very low | 188 Ų | 188 | 155.2 Ų | 155.2 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | trans | -70.7 | 113.4 | 161.9 | -81.4 | -93.1 | 0 | 0 | 0 | 108.7 | L6 L10 | L6-F8 PolarHBondContact O-N 3.07Å; F8-L10 PolarHBondContact O-N 2.86Å | ||
| 9 | A | 49.4 | Very low | 46.2 | Very low | 98 Ų | 98 | 155.5 Ų | 155.5 | 81% | 0.81 | 82% | 0.818 | S | S | * | * | trans | -74.7 | 100.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | R7 L11 | R7-A9 PolarHBondContact O-N 3.35Å; A9-L11 PolarHBondContact O-N 2.02Å | ||
| 10 | L | 46.3 | Very low | 46.5 | Very low | 159 Ų | 159 | 152.8 Ų | 152.8 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | trans | -70.7 | 109.1 | 168.1 | -81.5 | 161.8 | 0 | 0 | 0 | 108.3 | F8 V12 | F8-L10 PolarHBondContact O-N 2.86Å; L10-V12 PolarHBondContact O-N 2.85Å | ||
| 11 | L | 46 | Very low | 47.1 | Very low | 168 Ų | 168 | 150.9 Ų | 150.9 | 88% | 0.88 | 81% | 0.812 | S | S | * | * | trans | -64.7 | 99.1 | 165.7 | -73.9 | 165.2 | 0 | 0 | 0 | 107.9 | A9 W13 | A9-L11 PolarHBondContact O-N 2.02Å; L11-W13 PolarHBondContact O-N 3.29Å | ||
| 12 | V | 49.9 | Very low | 48.7 | Very low | 122 Ų | 122 | 146.7 Ų | 146.7 | 74% | 0.739 | 79% | 0.794 | S | S | * | * | trans | -70.2 | 100 | 168.8 | 178.9 | 0 | 0 | 0 | 0 | 107.1 | L10 I14 | L10-V12 PolarHBondContact O-N 2.85Å; V12-I14 HydrophobicContact CG1-CG1 4.17Å; V12-I14 PolarHBondContact O-N 3.19Å; V12-I14 VanDerWaalsContact O-N 3.12Å | ||
| 13 | W | 44.5 | Very low | 50.8 | Low | 231 Ų | 231 | 144 Ų | 144 | 88% | 0.875 | 79% | 0.791 | S | S | * | * | trans | -70.6 | 98.4 | 166.8 | -139.3 | 63.9 | 0 | 0 | 0 | 106.5 | L11 P15 | L11-W13 PolarHBondContact O-N 3.29Å; W13-P15 WeakPolarHBondContact O-CD 3.24Å | ||
| 14 | I | 54.9 | Low | 53.3 | Low | 140 Ų | 140 | 141.5 Ų | 141.5 | 72% | 0.718 | 77% | 0.773 | S | S | * | * | trans | -70.9 | 112.5 | 171 | -58.1 | 173.9 | 0 | 0 | 0 | 105.5 | V12 G16 | V12-I14 HydrophobicContact CG1-CG1 4.17Å; V12-I14 PolarHBondContact O-N 3.19Å; V12-I14 VanDerWaalsContact O-N 3.12Å; I14-G16 PolarHBondContact O-N 3.09Å | ||
| 15 | P | 50.8 | Low | 55.8 | Low | 98 Ų | 98 | 141 Ų | 141 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | trans | -64 | 114 | 170.1 | -9.7 | 26.7 | 0 | 0 | 0 | 105.8 | W13 V17 | W13-P15 WeakPolarHBondContact O-CD 3.24Å; P15-V17 PolarHBondContact O-N 3.18Å; P15-V17 VanDerWaalsContact O-N 3.09Å | ||
| 16 | G | 51.1 | Low | 58.3 | Low | 66 Ų | 66 | 141.1 Ų | 141.1 | 68% | 0.68 | 75% | 0.749 | S | S | * | * | trans | -52.8 | 120.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | I14 L18 | I14-G16 PolarHBondContact O-N 3.09Å; G16-L18 VanDerWaalsContact C-N 3.33Å; G16-L18 PolarHBondContact O-N 3.31Å | ||
| 17 | V | 57.1 | Low | 60.8 | Low | 120 Ų | 120 | 133.2 Ų | 133.2 | 73% | 0.727 | 71% | 0.708 | S | S | * | * | trans | -58.9 | 102.8 | 167.3 | 176.5 | 0 | 0 | 0 | 0 | 105.6 | P15 H19 | P15-V17 PolarHBondContact O-N 3.18Å; P15-V17 VanDerWaalsContact O-N 3.09Å; V17-H19 VanDerWaalsContact C-N 3.33Å; V17-H19 PolarHBondContact O-N 3.41Å | ||
| 18 | L | 51.4 | Low | 63.4 | Low | 167 Ų | 167 | 125.8 Ų | 125.8 | 87% | 0.874 | 69% | 0.694 | S | S | * | * | trans | -60 | 105.1 | 162.5 | -81.8 | 159.2 | 0 | 0 | 0 | 105.2 | G16 A20 | G16-L18 VanDerWaalsContact C-N 3.33Å; G16-L18 PolarHBondContact O-N 3.31Å; L18-A20 PolarHBondContact O-N 2.02Å | ||
| 19 | H | 48.9 | Very low | 65.7 | Low | 162 Ų | 162 | 118.9 Ų | 118.9 | 75% | 0.75 | 67% | 0.671 | S | S | * | * | trans | -54.9 | 111.5 | 161.6 | -75.9 | -84.4 | 0 | 0 | 0 | 105.9 | V17 V21 | V17-H19 VanDerWaalsContact C-N 3.33Å; V17-H19 PolarHBondContact O-N 3.41Å; H19-V21 PolarHBondContact O-N 2.81Å | ||
| 20 | A | 51.9 | Low | 67.9 | Low | 100 Ų | 100 | 114.7 Ų | 114.7 | 83% | 0.826 | 64% | 0.636 | S | S | * | * | trans | -60 | 95.7 | 164.3 | 0 | 0 | 0 | 0 | 0 | 106 | L18 N22 | L18-A20 PolarHBondContact O-N 2.02Å; A20-N22 PolarHBondContact O-N 3.1Å | ||
| 21 | V | 59.6 | Low | 70.2 | Confident | 113 Ų | 113 | 112.8 Ų | 112.8 | 69% | 0.685 | 63% | 0.626 | S | S | * | * | trans | -64.1 | 116.7 | 163.1 | -177.6 | 0 | 0 | 0 | 0 | 103.4 | H19 E23 | H19-V21 PolarHBondContact O-N 2.81Å; V21-E23 PolarHBondContact O-N 3.19Å | ||
| 22 | N | 70.1 | Confident | 72.6 | Confident | 136 Ų | 136 | 106 Ų | 106 | 73% | 0.727 | 59% | 0.591 | S | S | * | * | trans | -64.5 | 89.2 | 171 | -163.9 | 51.9 | 0 | 0 | 0 | 106.2 | A20 K24 | A20-N22 PolarHBondContact O-N 3.1Å; N22-K24 PolarHBondContact O-N 3Å | ||
| 23 | E | 76.9 | Confident | 74.8 | Confident | 168 Ų | 168 | 107.3 Ų | 107.3 | 79% | 0.785 | 59% | 0.587 | S | S | * | * | trans | -66.6 | 115.7 | 176.8 | -76 | -172.7 | 172.1 | 0 | 0 | 106.9 | V21 | V21-E23 PolarHBondContact O-N 3.19Š| ||
| 24 | K | 89.6 | Confident | 77.3 | Confident | 113 Ų | 113 | 99.7 Ų | 99.7 | 49% | 0.491 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -69.2 | 137.6 | -177.8 | -65.1 | -173.8 | 178.6 | -175.1 | 0 | 110.1 | N22 H46 D73 | N22-K24 PolarHBondContact O-N 3Å; K24-H46 HydrophobicContact CB-CB 3.56Å; K24-H46 HydrophobicContact CD-CB 4.25Å; K24-H46 WeakPolarHBondContact CD-CD2 3Å; K24-H46 VanDerWaalsContact CD-CE1 3.45Å; K24-H46 WeakPolarHBondContact CD-CE1 3.05Å; K24-H46 WeakPolarHBondContact CD-ND1 3.37Å; K24-H46 WeakPolarHBondContact CD-NE2 3.41Å; K24-H46 PolarHBondContact NZ-CE1 3.2Å; K24-H46 PolarHBondContact NZ-NE2 3.01Å; K24-D73 WeakPolarHBondContact CA-OD1 3.47Å; K24-D73 WeakPolarHBondContact CB-OD1 3.02Å |
| 25 | E | 94.2 | Very high | 79.3 | Confident | 130 Ų | 130 | 93.9 Ų | 93.9 | 61% | 0.607 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -69.4 | 139.8 | -173.3 | -68.5 | -168.1 | 168.2 | 0 | 0 | 111.5 | D73 G74 | E25-D73 PolarHBondContact N-OD1 2.81Å; E25-D73 CarbonylContact O-C 3.54Å; E25-D73 WeakPolarHBondContact O-CA 3.24Å; E25-G74 PolarHBondContact O-N 3.42Å |
| 26 | P | 96.3 | Very high | 81.3 | Confident | 72 Ų | 72 | 95 Ų | 95 | 47% | 0.468 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -78.2 | 150.8 | 172.8 | 33.5 | -34.4 | 0 | 0 | 0 | 111.2 | Y44 | P26-Y44 CarbonylContact C-O 3.54Å; P26-Y44 WeakPolarHBondContact CA-O 3.45Å; P26-Y44 WeakPolarHBondContact CB-O 3.33Å |
| 27 | C | 97.1 | Very high | 83.4 | Confident | 0 Ų | 0 | 93.6 Ų | 93.6 | 0% | 0 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 144.9 | 176.2 | -55.2 | 0 | 0 | 0 | 0 | 110.7 | S43 Y44 C71 D75 W76 | C27-S43 CarbonylContact O-C 3.42Å; C27-S43 VanDerWaalsContact O-CA 3.3Å; C27-S43 WeakPolarHBondContact O-CA 3.32Å; C27-Y44 PolarHBondContact N-O 2.89Å; C27-Y44 PolarHBondContact O-N 3Å; C27-C71 HydrophobicContact CB-CB 3.83Å; C27-C71 WeakPolarHBondContact CB-SG 3.35Å; C27-C71 PolarHBondContact N-SG 2.93Å; C27-C71 WeakPolarHBondContact SG-CA 3.45Å; C27-C71 WeakPolarHBondContact SG-CB 3.31Å; C27-C71 CovalentContact SG-SG 2.04Å; C27-C71 PolarHBondContact SG-SG 3.4Å; C27-D75 PolarHBondContact SG-O 2.9Å; C27-W76 HydrophobicContact CB-CD2 4.17Å; C27-W76 HydrophobicContact CB-CH2 4.25Å; C27-W76 HydrophobicContact CB-CZ2 3.65Å |
| 28 | S | 97.2 | Very high | 85 | Confident | 90 Ų | 90 | 92.8 Ų | 92.8 | 63% | 0.629 | 50% | 0.497 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 162.2 | 168.1 | -64.1 | 0 | 0 | 0 | 0 | 111.3 | W76 | S28-W76 WeakPolarHBondContact O-CZ2 3.49Å; S28-W76 PolarHBondContact O-NE1 2.94Å |
| 29 | A | 96.3 | Very high | 87 | Confident | 43 Ų | 43 | 87.7 Ų | 87.7 | 36% | 0.355 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -48.4 | 134.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F37 Q41 E42 Y44 | A29-F37 HydrophobicContact CB-CZ 4.24Å; A29-Q41 WeakPolarHBondContact CB-O 2.93Å; A29-E42 PolarHBondContact N-O 3.46Å; A29-Y44 HydrophobicContact CB-CE2 4.42Å |
| 30 | P | 95.4 | Very high | 89.2 | Confident | 10 Ų | 10 | 85.4 Ų | 85.4 | 7% | 0.065 | 47% | 0.471 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 138.2 | -179.9 | -13.5 | 24.7 | 0 | 0 | 0 | 112.1 | L32 F37 V50 I69 W76 P80 | P30-L32 PolarHBondContact O-N 3.06Å; P30-F37 HydrophobicContact CG-CD1 4.46Å; P30-F37 HydrophobicContact CG-CG 4.49Å; P30-F37 WeakPolarHBondContact O-CE1 3.13Å; P30-V50 HydrophobicContact CG-CG1 4.29Å; P30-I69 HydrophobicContact CB-CD1 4.14Å; P30-I69 HydrophobicContact CG-CD1 3.88Å; P30-W76 HydrophobicContact CG-CD2 4.5Å; P30-W76 HydrophobicContact CG-CZ2 3.84Å; P30-P80 HydrophobicContact CB-CG 3.61Å |
| 31 | D | 94.6 | Very high | 91.3 | Very high | 119 Ų | 119 | 85.2 Ų | 85.2 | 64% | 0.636 | 45% | 0.453 | S | S | * | . | trans | -79.6 | 100.8 | 171.3 | -179.2 | 22.9 | 0 | 0 | 0 | 109.6 | ||||
| 32 | L | 96.2 | Very high | 93 | Very high | 25 Ų | 25 | 88.4 Ų | 88.4 | 13% | 0.131 | 46% | 0.46 | C | S | . | . | trans | -127 | 126.6 | -179.2 | -177.3 | 62.2 | 0 | 0 | 0 | 110.8 | P30 F37 Y52 P80 C82 | P30-L32 PolarHBondContact O-N 3.06Å; L32-F37 HydrophobicContact CB-CD1 4.33Å; L32-F37 HydrophobicContact CD2-CD1 4.37Å; L32-Y52 HydrophobicContact CD1-CD2 4.1Å; L32-Y52 HydrophobicContact CD1-CE2 4.33Å; L32-Y52 HydrophobicContact CD2-CD2 3.7Å; L32-Y52 HydrophobicContact CD2-CG 3.97Å; L32-P80 HydrophobicContact CD1-CB 4.19Å; L32-C82 HydrophobicContact CD1-CB 4.49Å | ||
| 33 | K | 96.6 | Very high | 94.2 | Very high | 151 Ų | 151 | 84.7 Ų | 84.7 | 66% | 0.657 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -108.9 | 145.7 | 175.6 | -64.6 | 178.6 | 179.1 | 172.7 | 0 | 110.2 | G35 C82 | K33-G35 VanDerWaalsContact C-N 3.28Å; K33-G35 PolarHBondContact O-N 2.81Å; K33-C82 WeakPolarHBondContact O-CB 3.33Å |
| 34 | N | 97 | Very high | 95.2 | Very high | 70 Ų | 70 | 76.9 Ų | 76.9 | 37% | 0.374 | 41% | 0.408 | S | S | . | . | S | Bend | trans | 56.4 | 42.1 | -179.4 | -44.8 | -58.5 | 0 | 0 | 0 | 112.6 | D55 Y58 | N34-D55 VanDerWaalsContact C-CG 3.45Å; N34-D55 VanDerWaalsContact CA-OD2 3.31Å; N34-D55 WeakPolarHBondContact CA-OD2 3.32Å; N34-D55 PolarHBondContact O-N 3.4Å; N34-Y58 HydrophobicContact CB-CD1 3.83Å; N34-Y58 HydrophobicContact CB-CD2 3.7Å; N34-Y58 HydrophobicContact CB-CE1 3.85Å; N34-Y58 HydrophobicContact CB-CE2 3.72Å; N34-Y58 HydrophobicContact CB-CG 3.77Å; N34-Y58 VanDerWaalsContact CG-CZ 3.47Å; N34-Y58 WeakPolarHBondContact ND2-CE1 2.99Å |
| 35 | G | 96.1 | Very high | 95.5 | Very high | 19 Ų | 19 | 74.5 Ų | 74.5 | 20% | 0.196 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.7 | -177.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K33 S53 D55 | K33-G35 VanDerWaalsContact C-N 3.28Å; K33-G35 PolarHBondContact O-N 2.81Å; G35-S53 CarbonylContact C-O 3.53Å; G35-S53 WeakPolarHBondContact CA-O 3.43Å; G35-D55 PolarHBondContact N-OD2 2.8Å; G35-D55 VanDerWaalsContact N-OD2 3.09Å |
| 36 | Y | 93.7 | Very high | 95.6 | Very high | 122 Ų | 122 | 71.6 Ų | 71.6 | 48% | 0.478 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 157.8 | -179.8 | 61.7 | -85.6 | 0 | 0 | 0 | 110.4 | Y52 S53 | Y36-Y52 CarbonylContact O-C 3.55Å; Y36-Y52 VanDerWaalsContact O-CA 3.24Å; Y36-Y52 WeakPolarHBondContact O-CA 2.97Å; Y36-Y52 WeakPolarHBondContact O-CB 3.39Å; Y36-S53 PolarHBondContact N-O 3.02Å; Y36-S53 PolarHBondContact O-N 3.31Å |
| 37 | F | 96 | Very high | 95.5 | Very high | 35 Ų | 35 | 69.8 Ų | 69.8 | 15% | 0.154 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 155.2 | 178.5 | 56.2 | -100 | 0 | 0 | 0 | 112.1 | A29 P30 L32 V40 Y44 V50 T51 | A29-F37 HydrophobicContact CB-CZ 4.24Å; P30-F37 HydrophobicContact CG-CD1 4.46Å; P30-F37 HydrophobicContact CG-CG 4.49Å; P30-F37 WeakPolarHBondContact O-CE1 3.13Å; L32-F37 HydrophobicContact CB-CD1 4.33Å; L32-F37 HydrophobicContact CD2-CD1 4.37Å; F37-V40 HydrophobicContact CE2-CG1 4.44Å; F37-V40 WeakPolarHBondContact O-CG2 3.36Å; F37-Y44 WeakPolarHBondContact CD2-OH 3.37Å; F37-Y44 WeakPolarHBondContact CE2-OH 3.44Å; F37-V50 HydrophobicContact CB-CG1 3.73Å; F37-V50 HydrophobicContact CD2-CG1 4.17Å; F37-V50 HydrophobicContact CG-CG1 4.22Å; F37-T51 CarbonylContact C-O 3.55Å; F37-T51 VanDerWaalsContact CA-O 3.28Å; F37-T51 WeakPolarHBondContact CA-O 3.37Å |
| 38 | L | 90.3 | Very high | 95.3 | Very high | 103 Ų | 103 | 71.5 Ų | 71.5 | 54% | 0.539 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 142 | -179.4 | -64.1 | 175.6 | 0 | 0 | 0 | 110.6 | V40 V50 T51 | L38-V40 HydrophobicContact CD2-CG2 4.27Å; L38-V50 WeakPolarHBondContact O-CA 3.37Å; L38-T51 PolarHBondContact N-O 2.83Å; L38-T51 PolarHBondContact O-N 3.06Å |
| 39 | P | 93.7 | Very high | 95.2 | Very high | 61 Ų | 61 | 73 Ų | 73 | 40% | 0.396 | 40% | 0.4 | S | S | . | . | S | Bend | cis | -69 | 151.1 | -9.5 | 30.3 | -34.2 | 0 | 0 | 0 | 111.4 | Q41 Y44 | P39-Q41 HydrophobicContact CB-CG 4.49Å; P39-Q41 PolarHBondContact O-N 3.32Å; P39-Y44 HydrophobicContact CG-CE1 4.23Å; P39-Y44 WeakPolarHBondContact O-CE1 3.47Å; P39-Y44 PolarHBondContact O-OH 3.21Å |
| 40 | V | 94.5 | Very high | 95 | Very high | 113 Ų | 113 | 70.9 Ų | 70.9 | 69% | 0.685 | 38% | 0.383 | S | S | * | . | trans | -81.4 | 111.8 | 176.5 | -178.4 | 0 | 0 | 0 | 0 | 109.8 | F37 L38 | F37-V40 HydrophobicContact CE2-CG1 4.44Å; F37-V40 WeakPolarHBondContact O-CG2 3.36Å; L38-V40 HydrophobicContact CD2-CG2 4.27Å | ||
| 41 | Q | 95.1 | Very high | 94.8 | Very high | 97 Ų | 97 | 72.8 Ų | 72.8 | 45% | 0.453 | 39% | 0.394 | S | S | . | . | trans | -142.7 | 158.1 | 176 | -51.6 | -178.5 | 32 | 0 | 0 | 110.1 | A29 P39 S43 Y44 | A29-Q41 WeakPolarHBondContact CB-O 2.93Å; P39-Q41 HydrophobicContact CB-CG 4.49Å; P39-Q41 PolarHBondContact O-N 3.32Å; Q41-S43 PolarHBondContact OE1-O 2.82Å; Q41-Y44 HydrophobicContact CB-CD1 4.43Å; Q41-Y44 HydrophobicContact CB-CE1 3.87Å; Q41-Y44 HydrophobicContact CB-CE2 4.03Å; Q41-Y44 HydrophobicContact CG-CE1 4.07Å; Q41-Y44 PolarHBondContact N-OH 3.3Å; Q41-Y44 VanDerWaalsContact O-CE2 3.24Å; Q41-Y44 WeakPolarHBondContact O-CE2 3.28Å; Q41-Y44 PolarHBondContact O-OH 3.04Å; Q41-Y44 VanDerWaalsContact O-OH 3.05Å | ||
| 42 | E | 95.7 | Very high | 94.7 | Very high | 179 Ų | 179 | 67.4 Ų | 67.4 | 84% | 0.836 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -79.7 | -27.2 | 174.4 | -66.2 | -173.3 | 168.3 | 0 | 0 | 112.5 | A29 | A29-E42 PolarHBondContact N-O 3.46Š|
| 43 | S | 96.8 | Very high | 94.6 | Very high | 59 Ų | 59 | 67.1 Ų | 67.1 | 41% | 0.413 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 146.2 | -178.5 | -177.2 | 0 | 0 | 0 | 0 | 111.3 | C27 Q41 | C27-S43 CarbonylContact O-C 3.42Å; C27-S43 VanDerWaalsContact O-CA 3.3Å; C27-S43 WeakPolarHBondContact O-CA 3.32Å; Q41-S43 PolarHBondContact OE1-O 2.82Å |
| 44 | Y | 96.3 | Very high | 94.5 | Very high | 3 Ų | 3 | 60.8 Ų | 60.8 | 1% | 0.012 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 127.1 | -174.2 | -59.3 | -100.1 | 0 | 0 | 0 | 109.9 | P26 C27 A29 F37 P39 Q41 V50 W76 | P26-Y44 CarbonylContact C-O 3.54Å; P26-Y44 WeakPolarHBondContact CA-O 3.45Å; P26-Y44 WeakPolarHBondContact CB-O 3.33Å; C27-Y44 PolarHBondContact N-O 2.89Å; C27-Y44 PolarHBondContact O-N 3Å; A29-Y44 HydrophobicContact CB-CE2 4.42Å; F37-Y44 WeakPolarHBondContact CD2-OH 3.37Å; F37-Y44 WeakPolarHBondContact CE2-OH 3.44Å; P39-Y44 HydrophobicContact CG-CE1 4.23Å; P39-Y44 WeakPolarHBondContact O-CE1 3.47Å; P39-Y44 PolarHBondContact O-OH 3.21Å; Q41-Y44 HydrophobicContact CB-CD1 4.43Å; Q41-Y44 HydrophobicContact CB-CE1 3.87Å; Q41-Y44 HydrophobicContact CB-CE2 4.03Å; Q41-Y44 HydrophobicContact CG-CE1 4.07Å; Q41-Y44 PolarHBondContact N-OH 3.3Å; Q41-Y44 VanDerWaalsContact O-CE2 3.24Å; Q41-Y44 WeakPolarHBondContact O-CE2 3.28Å; Q41-Y44 PolarHBondContact O-OH 3.04Å; Q41-Y44 VanDerWaalsContact O-OH 3.05Å; Y44-V50 HydrophobicContact CD1-CG2 3.38Å; Y44-V50 HydrophobicContact CE1-CG2 3.23Å; Y44-V50 HydrophobicContact CG-CG2 4.12Å; Y44-W76 HydrophobicContact CD1-CH2 4.07Å; Y44-W76 AromaticContact CD2-CH2 3.76Å; Y44-W76 HydrophobicContact CD2-CH2 3.76Å; Y44-W76 AromaticContact CD2-CZ2 3.55Å; Y44-W76 HydrophobicContact CD2-CZ2 3.55Å; Y44-W76 HydrophobicContact CE2-CH2 4.41Å; Y44-W76 HydrophobicContact CE2-CZ2 4.12Å; Y44-W76 AromaticContact CG-CH2 3.57Å; Y44-W76 HydrophobicContact CG-CH2 3.57Å; Y44-W76 AromaticContact CG-CZ2 3.87Å; Y44-W76 HydrophobicContact CG-CZ2 3.87Å |
| 45 | A | 96.6 | Very high | 94.4 | Very high | 64 Ų | 64 | 61 Ų | 61 | 53% | 0.529 | 34% | 0.34 | S | S | . | . | trans | -61 | 152.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | G47 S48 | A45-G47 PolarHBondContact O-N 2.83Å; A45-S48 PolarHBondContact N-OG 3.15Å; A45-S48 WeakPolarHBondContact O-CB 3.37Å; A45-S48 PolarHBondContact O-N 3.15Å; A45-S48 PolarHBondContact O-OG 3.41Å | ||
| 46 | H | 95.6 | Very high | 94.3 | Very high | 68 Ų | 68 | 66.9 Ų | 66.9 | 32% | 0.315 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | 135 | 170.7 | 175.6 | 89.1 | 0 | 0 | 0 | 111.6 | K24 S48 D73 | K24-H46 HydrophobicContact CB-CB 3.56Å; K24-H46 HydrophobicContact CD-CB 4.25Å; K24-H46 WeakPolarHBondContact CD-CD2 3Å; K24-H46 VanDerWaalsContact CD-CE1 3.45Å; K24-H46 WeakPolarHBondContact CD-CE1 3.05Å; K24-H46 WeakPolarHBondContact CD-ND1 3.37Å; K24-H46 WeakPolarHBondContact CD-NE2 3.41Å; K24-H46 PolarHBondContact NZ-CE1 3.2Å; K24-H46 PolarHBondContact NZ-NE2 3.01Å; H46-S48 VanDerWaalsContact C-N 3.3Å; H46-D73 PolarHBondContact ND1-N 2.94Å |
| 47 | G | 93.9 | Very high | 94.1 | Very high | 35 Ų | 35 | 62.5 Ų | 62.5 | 36% | 0.361 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 0.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | A45 H49 C71 | A45-G47 PolarHBondContact O-N 2.83Å; G47-H49 PolarHBondContact O-CD2 2.82Å; G47-H49 VanDerWaalsContact O-CD2 3.26Å; G47-C71 WeakPolarHBondContact CA-O 3.31Å; G47-C71 PolarHBondContact N-O 3.1Å |
| 48 | S | 93.9 | Very high | 94 | Very high | 35 Ų | 35 | 64.4 Ų | 64.4 | 25% | 0.245 | 37% | 0.371 | C | S | . | . | trans | -66 | 138.5 | 173.2 | -62.8 | 0 | 0 | 0 | 0 | 111.2 | A45 H46 V70 C71 | A45-S48 PolarHBondContact N-OG 3.15Å; A45-S48 WeakPolarHBondContact O-CB 3.37Å; A45-S48 PolarHBondContact O-N 3.15Å; A45-S48 PolarHBondContact O-OG 3.41Å; H46-S48 VanDerWaalsContact C-N 3.3Å; S48-V70 CarbonylContact O-C 3.58Å; S48-V70 WeakPolarHBondContact O-CA 3.4Å; S48-C71 PolarHBondContact O-N 3.49Å | ||
| 49 | H | 94.3 | Very high | 94 | Very high | 121 Ų | 121 | 62 Ų | 62 | 56% | 0.56 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 128.8 | 173.5 | -70.4 | -109.1 | 0 | 0 | 0 | 109.6 | G47 T68 I69 | G47-H49 PolarHBondContact O-CD2 2.82Å; G47-H49 VanDerWaalsContact O-CD2 3.26Å; H49-T68 HydrophobicContact CB-CG2 3.91Å; H49-I69 WeakPolarHBondContact CA-O 3.3Å |
| 50 | V | 92.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 127.7 | 176.7 | 173.9 | 0 | 0 | 0 | 0 | 108.6 | P30 F37 L38 Y44 T68 I69 W76 | P30-V50 HydrophobicContact CG-CG1 4.29Å; F37-V50 HydrophobicContact CB-CG1 3.73Å; F37-V50 HydrophobicContact CD2-CG1 4.17Å; F37-V50 HydrophobicContact CG-CG1 4.22Å; L38-V50 WeakPolarHBondContact O-CA 3.37Å; Y44-V50 HydrophobicContact CD1-CG2 3.38Å; Y44-V50 HydrophobicContact CE1-CG2 3.23Å; Y44-V50 HydrophobicContact CG-CG2 4.12Å; V50-T68 CarbonylContact O-C 3.56Å; V50-T68 VanDerWaalsContact O-CA 3.31Å; V50-T68 WeakPolarHBondContact O-CA 3.48Å; V50-I69 HydrophobicContact CB-CG1 4.03Å; V50-I69 HydrophobicContact CG1-CG1 4.49Å; V50-I69 PolarHBondContact N-O 3.09Å; V50-I69 WeakPolarHBondContact O-CG1 3.22Å; V50-I69 PolarHBondContact O-N 2.79Å; V50-W76 HydrophobicContact CB-CH2 4.08Å; V50-W76 HydrophobicContact CB-CZ3 4.06Å; V50-W76 HydrophobicContact CG2-CH2 3.39Å; V50-W76 HydrophobicContact CG2-CZ2 4.34Å; V50-W76 HydrophobicContact CG2-CZ3 3.76Å |
| 51 | T | 91.9 | Very high | 93.5 | Very high | 50 Ų | 50 | 56.3 Ų | 56.3 | 31% | 0.307 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 130.5 | 178.3 | -56.8 | 0 | 0 | 0 | 0 | 109.5 | F37 L38 W66 V67 T68 | F37-T51 CarbonylContact C-O 3.55Å; F37-T51 VanDerWaalsContact CA-O 3.28Å; F37-T51 WeakPolarHBondContact CA-O 3.37Å; L38-T51 PolarHBondContact N-O 2.83Å; L38-T51 PolarHBondContact O-N 3.06Å; T51-W66 HydrophobicContact CG2-CB 3.68Å; T51-W66 HydrophobicContact CG2-CG 3.94Å; T51-V67 CarbonylContact C-O 3.48Å; T51-V67 VanDerWaalsContact CA-O 3.26Å; T51-V67 WeakPolarHBondContact CA-O 3.39Å; T51-T68 PolarHBondContact OG1-OG1 3.01Å |
| 52 | Y | 93.3 | Very high | 92.8 | Very high | 6 Ų | 6 | 56.3 Ų | 56.3 | 2% | 0.024 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 155.1 | 176.9 | 80 | -88.5 | 0 | 0 | 0 | 112.6 | L32 Y36 T60 W66 V67 I69 P80 E81 | L32-Y52 HydrophobicContact CD1-CD2 4.1Å; L32-Y52 HydrophobicContact CD1-CE2 4.33Å; L32-Y52 HydrophobicContact CD2-CD2 3.7Å; L32-Y52 HydrophobicContact CD2-CG 3.97Å; Y36-Y52 CarbonylContact O-C 3.55Å; Y36-Y52 VanDerWaalsContact O-CA 3.24Å; Y36-Y52 WeakPolarHBondContact O-CA 2.97Å; Y36-Y52 WeakPolarHBondContact O-CB 3.39Å; Y52-T60 HydrophobicContact CD2-CG2 4.43Å; Y52-T60 HydrophobicContact CE2-CG2 3.86Å; Y52-W66 CarbonylContact O-C 3.6Å; Y52-W66 WeakPolarHBondContact O-CA 3.31Å; Y52-W66 WeakPolarHBondContact O-CB 3.19Å; Y52-V67 HydrophobicContact CD1-CB 4.07Å; Y52-V67 HydrophobicContact CD1-CG1 4.43Å; Y52-V67 WeakPolarHBondContact CD1-O 3.38Å; Y52-V67 HydrophobicContact CE1-CB 3.47Å; Y52-V67 VanDerWaalsContact CE1-CB 3.47Å; Y52-V67 HydrophobicContact CE1-CG1 3.62Å; Y52-V67 HydrophobicContact CE1-CG2 4.48Å; Y52-V67 PolarHBondContact N-O 2.84Å; Y52-V67 PolarHBondContact O-N 3.33Å; Y52-I69 HydrophobicContact CD1-CG2 4.48Å; Y52-I69 HydrophobicContact CE1-CG2 4.22Å; Y52-P80 HydrophobicContact CD1-CB 3.51Å; Y52-P80 HydrophobicContact CD2-CB 4.17Å; Y52-P80 HydrophobicContact CE1-CB 3.42Å; Y52-P80 VanDerWaalsContact CE1-CB 3.42Å; Y52-P80 HydrophobicContact CE2-CB 4.1Å; Y52-P80 HydrophobicContact CG-CB 3.89Å; Y52-E81 PolarHBondContact OH-N 2.98Å; Y52-E81 PolarHBondContact OH-O 2.93Å |
| 53 | S | 93 | Very high | 91.6 | Very high | 19 Ų | 19 | 56.6 Ų | 56.6 | 13% | 0.133 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 160.6 | 176.4 | -169.9 | 0 | 0 | 0 | 0 | 109.6 | G35 Y36 W65 | G35-S53 CarbonylContact C-O 3.53Å; G35-S53 WeakPolarHBondContact CA-O 3.43Å; Y36-S53 PolarHBondContact N-O 3.02Å; Y36-S53 PolarHBondContact O-N 3.31Å; S53-W65 WeakPolarHBondContact CB-O 3.27Å; S53-W65 PolarHBondContact OG-O 3.25Å |
| 54 | C | 95.1 | Very high | 90.7 | Very high | 17 Ų | 17 | 56 Ų | 56 | 12% | 0.115 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 150.2 | -174.3 | -59.1 | 0 | 0 | 0 | 0 | 111.8 | K59 T60 C82 | C54-K59 PolarHBondContact SG-O 2.99Å; C54-T60 PolarHBondContact SG-N 2.89Å; C54-C82 WeakPolarHBondContact CA-SG 3.31Å; C54-C82 HydrophobicContact CB-CB 3.79Å; C54-C82 WeakPolarHBondContact CB-SG 3.45Å; C54-C82 WeakPolarHBondContact SG-CA 3.24Å; C54-C82 WeakPolarHBondContact SG-CB 3.48Å; C54-C82 CovalentContact SG-SG 2.04Å; C54-C82 PolarHBondContact SG-SG 3.4Å |
| 55 | D | 95.2 | Very high | 89.8 | Confident | 74 Ų | 74 | 66 Ų | 66 | 40% | 0.396 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 164.5 | 175.4 | -64.6 | -31.1 | 0 | 0 | 0 | 110.8 | N34 G35 G57 Y58 | N34-D55 VanDerWaalsContact C-CG 3.45Å; N34-D55 VanDerWaalsContact CA-OD2 3.31Å; N34-D55 WeakPolarHBondContact CA-OD2 3.32Å; N34-D55 PolarHBondContact O-N 3.4Å; G35-D55 PolarHBondContact N-OD2 2.8Å; G35-D55 VanDerWaalsContact N-OD2 3.09Å; D55-G57 PolarHBondContact O-N 2.98Å; D55-Y58 WeakPolarHBondContact O-CB 3.14Å; D55-Y58 PolarHBondContact O-N 2.91Å |
| 56 | T | 92.8 | Very high | 89.4 | Confident | 144 Ų | 144 | 71 Ų | 71 | 88% | 0.883 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 131.6 | 179.7 | -54.7 | 0 | 0 | 0 | 0 | 112.1 | Y58 | T56-Y58 VanDerWaalsContact C-N 3.34Š|
| 57 | G | 90.4 | Very high | 88.9 | Confident | 29 Ų | 29 | 68.1 Ų | 68.1 | 30% | 0.299 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.3 | -3.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | D55 E85 | D55-G57 PolarHBondContact O-N 2.98Å; G57-E85 WeakPolarHBondContact CA-OE1 3.43Å; G57-E85 PolarHBondContact N-OE1 2.97Å; G57-E85 VanDerWaalsContact N-OE1 3.17Å; G57-E85 PolarHBondContact O-N 3.38Å; G57-E85 VanDerWaalsContact O-N 3.08Å |
| 58 | Y | 94.6 | Very high | 88.8 | Confident | 76 Ų | 76 | 69.4 Ų | 69.4 | 30% | 0.298 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 156.6 | 175.8 | -63.5 | -98.3 | 0 | 0 | 0 | 111.2 | N34 D55 T56 V83 V84 | N34-Y58 HydrophobicContact CB-CD1 3.83Å; N34-Y58 HydrophobicContact CB-CD2 3.7Å; N34-Y58 HydrophobicContact CB-CE1 3.85Å; N34-Y58 HydrophobicContact CB-CE2 3.72Å; N34-Y58 HydrophobicContact CB-CG 3.77Å; N34-Y58 VanDerWaalsContact CG-CZ 3.47Å; N34-Y58 WeakPolarHBondContact ND2-CE1 2.99Å; D55-Y58 WeakPolarHBondContact O-CB 3.14Å; D55-Y58 PolarHBondContact O-N 2.91Å; T56-Y58 VanDerWaalsContact C-N 3.34Å; Y58-V83 CarbonylContact C-O 3.51Å; Y58-V83 WeakPolarHBondContact CA-O 3.42Å; Y58-V84 HydrophobicContact CD1-CG2 4.29Å; Y58-V84 HydrophobicContact CE1-CG2 3.83Å |
| 59 | K | 90 | Very high | 88.8 | Confident | 51 Ų | 51 | 67.8 Ų | 67.8 | 22% | 0.222 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 160.6 | 175.9 | 66.4 | -177 | -179.2 | -165.7 | 0 | 111.2 | C54 C82 V83 E85 V87 | C54-K59 PolarHBondContact SG-O 2.99Å; K59-C82 WeakPolarHBondContact O-CA 3.4Å; K59-V83 HydrophobicContact CG-CG2 3.98Å; K59-V83 PolarHBondContact N-O 3.32Å; K59-V83 PolarHBondContact O-N 3.3Å; K59-E85 HydrophobicContact CB-CG 4.37Å; K59-E85 WeakPolarHBondContact CE-O 3.46Å; K59-E85 PolarHBondContact NZ-O 2.04Å; K59-V87 WeakPolarHBondContact CE-O 3.28Å; K59-V87 PolarHBondContact NZ-O 2.81Å |
| 60 | T | 90.8 | Very high | 88.9 | Confident | 4 Ų | 4 | 63.6 Ų | 63.6 | 3% | 0.025 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 156.6 | 175.2 | 50.9 | 0 | 0 | 0 | 0 | 110.8 | Y52 C54 E62 G64 V67 L89 | Y52-T60 HydrophobicContact CD2-CG2 4.43Å; Y52-T60 HydrophobicContact CE2-CG2 3.86Å; C54-T60 PolarHBondContact SG-N 2.89Å; T60-E62 PolarHBondContact O-N 2.84Å; T60-E62 PolarHBondContact OG1-O 3.18Å; T60-G64 PolarHBondContact OG1-O 3.08Å; T60-V67 HydrophobicContact CG2-CG2 3.89Å; T60-L89 VanDerWaalsContact O-CD1 3.27Å; T60-L89 WeakPolarHBondContact O-CD1 3.27Å |
| 61 | T | 86.1 | Confident | 89.1 | Confident | 51 Ų | 51 | 63.6 Ų | 63.6 | 31% | 0.313 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -73.8 | -11.9 | 174.4 | 45.3 | 0 | 0 | 0 | 0 | 113.6 | E81 V83 | T61-E81 HydrophobicContact CG2-CB 3.94Å; T61-E81 HydrophobicContact CG2-CG 4.18Å; T61-V83 HydrophobicContact CG2-CG1 3.94Å |
| 62 | E | 80.1 | Confident | 89.3 | Confident | 97 Ų | 97 | 66.4 Ų | 66.4 | 45% | 0.453 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -108 | 158.6 | 170.1 | -55.4 | -178.1 | -178.7 | 0 | 0 | 110.6 | T60 G64 V67 | T60-E62 PolarHBondContact O-N 2.84Å; T60-E62 PolarHBondContact OG1-O 3.18Å; E62-G64 PolarHBondContact O-N 2.94Å; E62-V67 HydrophobicContact CB-CG2 3.77Å; E62-V67 HydrophobicContact CG-CG2 4.17Å |
| 63 | E | 71.8 | Confident | 89.4 | Confident | 185 Ų | 185 | 69.5 Ų | 69.5 | 86% | 0.864 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -67.3 | 118.9 | 174.8 | -70.3 | -168.5 | 167.1 | 0 | 0 | 111.1 | ||
| 64 | G | 76.9 | Confident | 89.5 | Confident | 47 Ų | 47 | 69.6 Ų | 69.6 | 49% | 0.485 | 36% | 0.359 | S | S | . | . | S | Bend | trans | 152.7 | 177 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | T60 E62 | T60-G64 PolarHBondContact OG1-O 3.08Å; E62-G64 PolarHBondContact O-N 2.94Å |
| 65 | W | 78.1 | Confident | 89.6 | Confident | 212 Ų | 212 | 74.5 Ų | 74.5 | 80% | 0.803 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -91.5 | -17.6 | 172.2 | -66.3 | 93.6 | 0 | 0 | 0 | 112.2 | S53 | S53-W65 WeakPolarHBondContact CB-O 3.27Å; S53-W65 PolarHBondContact OG-O 3.25Å |
| 66 | W | 87.4 | Confident | 89.6 | Confident | 170 Ų | 170 | 73.3 Ų | 73.3 | 64% | 0.644 | 37% | 0.374 | S | S | * | . | trans | -153.5 | 151.3 | -179.1 | 57.6 | 80.7 | 0 | 0 | 0 | 110.3 | T51 Y52 | T51-W66 HydrophobicContact CG2-CB 3.68Å; T51-W66 HydrophobicContact CG2-CG 3.94Å; Y52-W66 CarbonylContact O-C 3.6Å; Y52-W66 WeakPolarHBondContact O-CA 3.31Å; Y52-W66 WeakPolarHBondContact O-CB 3.19Å | ||
| 67 | V | 85.9 | Confident | 89.7 | Confident | 8 Ų | 8 | 68.1 Ų | 68.1 | 5% | 0.048 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 144.2 | 179.3 | 172.6 | 0 | 0 | 0 | 0 | 109.1 | T51 Y52 T60 E62 | T51-V67 CarbonylContact C-O 3.48Å; T51-V67 VanDerWaalsContact CA-O 3.26Å; T51-V67 WeakPolarHBondContact CA-O 3.39Å; Y52-V67 HydrophobicContact CD1-CB 4.07Å; Y52-V67 HydrophobicContact CD1-CG1 4.43Å; Y52-V67 WeakPolarHBondContact CD1-O 3.38Å; Y52-V67 HydrophobicContact CE1-CB 3.47Å; Y52-V67 VanDerWaalsContact CE1-CB 3.47Å; Y52-V67 HydrophobicContact CE1-CG1 3.62Å; Y52-V67 HydrophobicContact CE1-CG2 4.48Å; Y52-V67 PolarHBondContact N-O 2.84Å; Y52-V67 PolarHBondContact O-N 3.33Å; T60-V67 HydrophobicContact CG2-CG2 3.89Å; E62-V67 HydrophobicContact CB-CG2 3.77Å; E62-V67 HydrophobicContact CG-CG2 4.17Å |
| 68 | T | 91.2 | Very high | 89.8 | Confident | 62 Ų | 62 | 70.9 Ų | 70.9 | 38% | 0.38 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 123.6 | -180 | -58.6 | 0 | 0 | 0 | 0 | 110.9 | H49 V50 T51 | H49-T68 HydrophobicContact CB-CG2 3.91Å; V50-T68 CarbonylContact O-C 3.56Å; V50-T68 VanDerWaalsContact O-CA 3.31Å; V50-T68 WeakPolarHBondContact O-CA 3.48Å; T51-T68 PolarHBondContact OG1-OG1 3.01Å |
| 69 | I | 93.3 | Very high | 89.8 | Confident | 1 Ų | 1 | 74.8 Ų | 74.8 | 1% | 0.005 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 151.3 | 174.4 | 61.5 | 176.3 | 0 | 0 | 0 | 110.1 | P30 H49 V50 Y52 W76 D78 P80 | P30-I69 HydrophobicContact CB-CD1 4.14Å; P30-I69 HydrophobicContact CG-CD1 3.88Å; H49-I69 WeakPolarHBondContact CA-O 3.3Å; V50-I69 HydrophobicContact CB-CG1 4.03Å; V50-I69 HydrophobicContact CG1-CG1 4.49Å; V50-I69 PolarHBondContact N-O 3.09Å; V50-I69 WeakPolarHBondContact O-CG1 3.22Å; V50-I69 PolarHBondContact O-N 2.79Å; Y52-I69 HydrophobicContact CD1-CG2 4.48Å; Y52-I69 HydrophobicContact CE1-CG2 4.22Å; I69-W76 HydrophobicContact CB-CE3 4.25Å; I69-W76 HydrophobicContact CD1-CB 4.34Å; I69-W76 HydrophobicContact CD1-CD2 3.76Å; I69-W76 HydrophobicContact CD1-CE3 3.72Å; I69-W76 HydrophobicContact CD1-CG 4.03Å; I69-W76 HydrophobicContact CD1-CZ3 4.34Å; I69-W76 HydrophobicContact CG1-CD2 4.27Å; I69-W76 HydrophobicContact CG1-CE3 3.7Å; I69-W76 HydrophobicContact CG1-CZ3 4.11Å; I69-D78 HydrophobicContact CG2-CB 4.13Å; I69-P80 HydrophobicContact CD1-CB 4.24Å; I69-P80 HydrophobicContact CD1-CG 3.88Å |
| 70 | V | 96.7 | Very high | 89.9 | Confident | 32 Ų | 32 | 72.8 Ų | 72.8 | 19% | 0.194 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 132.9 | -176.5 | -173.3 | 0 | 0 | 0 | 0 | 110.2 | S48 Q72 W76 S77 | S48-V70 CarbonylContact O-C 3.58Å; S48-V70 WeakPolarHBondContact O-CA 3.4Å; V70-Q72 HydrophobicContact CG1-CG 4.45Å; V70-Q72 PolarHBondContact O-N 2.89Å; V70-W76 CarbonylContact O-C 3.54Å; V70-S77 PolarHBondContact N-OG 3.1Å; V70-S77 PolarHBondContact O-N 2.72Å |
| 71 | C | 96.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 123.3 | 172.8 | 177.4 | 0 | 0 | 0 | 0 | 110.2 | C27 G47 S48 W76 | C27-C71 HydrophobicContact CB-CB 3.83Å; C27-C71 WeakPolarHBondContact CB-SG 3.35Å; C27-C71 PolarHBondContact N-SG 2.93Å; C27-C71 WeakPolarHBondContact SG-CA 3.45Å; C27-C71 WeakPolarHBondContact SG-CB 3.31Å; C27-C71 CovalentContact SG-SG 2.04Å; C27-C71 PolarHBondContact SG-SG 3.4Å; G47-C71 WeakPolarHBondContact CA-O 3.31Å; G47-C71 PolarHBondContact N-O 3.1Å; S48-C71 PolarHBondContact O-N 3.49Å; C71-W76 HydrophobicContact CB-CE3 4.05Å; C71-W76 HydrophobicContact CB-CH2 4.02Å; C71-W76 HydrophobicContact CB-CZ3 3.67Å |
| 72 | Q | 96.6 | Very high | 90.6 | Very high | 110 Ų | 110 | 75.4 Ų | 75.4 | 51% | 0.514 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 75.3 | -175.3 | -63.5 | -174 | 8.9 | 0 | 0 | 110.5 | V70 D75 | V70-Q72 HydrophobicContact CG1-CG 4.45Å; V70-Q72 PolarHBondContact O-N 2.89Å; Q72-D75 CarbonylContact C-O 3.44Å; Q72-D75 WeakPolarHBondContact CA-O 3.5Å; Q72-D75 PolarHBondContact N-O 2.79Å |
| 73 | D | 95.3 | Very high | 91.3 | Very high | 70 Ų | 70 | 72 Ų | 72 | 37% | 0.374 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66 | 59.8 | 166.6 | -160.3 | 24 | 0 | 0 | 0 | 110.9 | K24 E25 H46 D75 | K24-D73 WeakPolarHBondContact CA-OD1 3.47Å; K24-D73 WeakPolarHBondContact CB-OD1 3.02Å; E25-D73 PolarHBondContact N-OD1 2.81Å; E25-D73 CarbonylContact O-C 3.54Å; E25-D73 WeakPolarHBondContact O-CA 3.24Å; H46-D73 PolarHBondContact ND1-N 2.94Å; D73-D75 VanDerWaalsContact C-N 3.29Å; D73-D75 PolarHBondContact O-N 2.78Å |
| 74 | G | 94.8 | Very high | 92.4 | Very high | 22 Ų | 22 | 66.4 Ų | 66.4 | 23% | 0.227 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.6 | -27.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | E25 | E25-G74 PolarHBondContact O-N 3.42Š|
| 75 | D | 96.2 | Very high | 93 | Very high | 120 Ų | 120 | 68.9 Ų | 68.9 | 64% | 0.642 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 145 | -175.1 | -71.4 | -50.8 | 0 | 0 | 0 | 113.5 | C27 Q72 D73 | C27-D75 PolarHBondContact SG-O 2.9Å; Q72-D75 CarbonylContact C-O 3.44Å; Q72-D75 WeakPolarHBondContact CA-O 3.5Å; Q72-D75 PolarHBondContact N-O 2.79Å; D73-D75 VanDerWaalsContact C-N 3.29Å; D73-D75 PolarHBondContact O-N 2.78Å |
| 76 | W | 96.4 | Very high | 93.5 | Very high | 48 Ų | 48 | 62.7 Ų | 62.7 | 18% | 0.182 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 144.9 | 171.8 | -68.3 | 106.6 | 0 | 0 | 0 | 111.2 | C27 S28 P30 Y44 V50 I69 V70 C71 D78 | C27-W76 HydrophobicContact CB-CD2 4.17Å; C27-W76 HydrophobicContact CB-CH2 4.25Å; C27-W76 HydrophobicContact CB-CZ2 3.65Å; S28-W76 WeakPolarHBondContact O-CZ2 3.49Å; S28-W76 PolarHBondContact O-NE1 2.94Å; P30-W76 HydrophobicContact CG-CD2 4.5Å; P30-W76 HydrophobicContact CG-CZ2 3.84Å; Y44-W76 HydrophobicContact CD1-CH2 4.07Å; Y44-W76 AromaticContact CD2-CH2 3.76Å; Y44-W76 HydrophobicContact CD2-CH2 3.76Å; Y44-W76 AromaticContact CD2-CZ2 3.55Å; Y44-W76 HydrophobicContact CD2-CZ2 3.55Å; Y44-W76 HydrophobicContact CE2-CH2 4.41Å; Y44-W76 HydrophobicContact CE2-CZ2 4.12Å; Y44-W76 AromaticContact CG-CH2 3.57Å; Y44-W76 HydrophobicContact CG-CH2 3.57Å; Y44-W76 AromaticContact CG-CZ2 3.87Å; Y44-W76 HydrophobicContact CG-CZ2 3.87Å; V50-W76 HydrophobicContact CB-CH2 4.08Å; V50-W76 HydrophobicContact CB-CZ3 4.06Å; V50-W76 HydrophobicContact CG2-CH2 3.39Å; V50-W76 HydrophobicContact CG2-CZ2 4.34Å; V50-W76 HydrophobicContact CG2-CZ3 3.76Å; I69-W76 HydrophobicContact CB-CE3 4.25Å; I69-W76 HydrophobicContact CD1-CB 4.34Å; I69-W76 HydrophobicContact CD1-CD2 3.76Å; I69-W76 HydrophobicContact CD1-CE3 3.72Å; I69-W76 HydrophobicContact CD1-CG 4.03Å; I69-W76 HydrophobicContact CD1-CZ3 4.34Å; I69-W76 HydrophobicContact CG1-CD2 4.27Å; I69-W76 HydrophobicContact CG1-CE3 3.7Å; I69-W76 HydrophobicContact CG1-CZ3 4.11Å; V70-W76 CarbonylContact O-C 3.54Å; C71-W76 HydrophobicContact CB-CE3 4.05Å; C71-W76 HydrophobicContact CB-CH2 4.02Å; C71-W76 HydrophobicContact CB-CZ3 3.67Å; W76-D78 WeakPolarHBondContact CB-O 3.38Å; W76-D78 PolarHBondContact O-N 3.17Å |
| 77 | S | 94.8 | Very high | 93.6 | Very high | 36 Ų | 36 | 57.8 Ų | 57.8 | 25% | 0.252 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -54.8 | -37.1 | 177.7 | 66 | 0 | 0 | 0 | 0 | 112.3 | V70 | V70-S77 PolarHBondContact N-OG 3.1Å; V70-S77 PolarHBondContact O-N 2.72Å |
| 78 | D | 92.6 | Very high | 93.7 | Very high | 86 Ų | 86 | 58.3 Ų | 58.3 | 46% | 0.46 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -146 | 154.8 | 179.7 | -58.6 | -79.4 | 0 | 0 | 0 | 109.4 | I69 W76 P80 | I69-D78 HydrophobicContact CG2-CB 4.13Å; W76-D78 WeakPolarHBondContact CB-O 3.38Å; W76-D78 PolarHBondContact O-N 3.17Å; D78-P80 WeakPolarHBondContact O-CD 3.3Å |
| 79 | K | 93.7 | Very high | 93.5 | Very high | 158 Ų | 158 | 57.1 Ų | 57.1 | 69% | 0.687 | 31% | 0.305 | S | S | * | . | trans | -84.1 | 116.8 | 176 | -175.4 | -174.2 | 178 | -169.3 | 0 | 109.3 | E81 | K79-E81 PolarHBondContact O-N 2.81Š| ||
| 80 | P | 93.4 | Very high | 92.9 | Very high | 9 Ų | 9 | 61.4 Ų | 61.4 | 6% | 0.058 | 33% | 0.333 | C | S | . | . | trans | -70 | 131.9 | 178.6 | 30.2 | -34.5 | 0 | 0 | 0 | 110.4 | P30 L32 Y52 I69 D78 | P30-P80 HydrophobicContact CB-CG 3.61Å; L32-P80 HydrophobicContact CD1-CB 4.19Å; Y52-P80 HydrophobicContact CD1-CB 3.51Å; Y52-P80 HydrophobicContact CD2-CB 4.17Å; Y52-P80 HydrophobicContact CE1-CB 3.42Å; Y52-P80 VanDerWaalsContact CE1-CB 3.42Å; Y52-P80 HydrophobicContact CE2-CB 4.1Å; Y52-P80 HydrophobicContact CG-CB 3.89Å; I69-P80 HydrophobicContact CD1-CB 4.24Å; I69-P80 HydrophobicContact CD1-CG 3.88Å; D78-P80 WeakPolarHBondContact O-CD 3.3Å | ||
| 81 | E | 95.3 | Very high | 92.2 | Very high | 96 Ų | 96 | 60.9 Ų | 60.9 | 45% | 0.449 | 33% | 0.33 | S | S | . | . | trans | -145.2 | 140.8 | -178.3 | -173.6 | 167.5 | -168.3 | 0 | 0 | 111.2 | Y52 T61 K79 V83 | Y52-E81 PolarHBondContact OH-N 2.98Å; Y52-E81 PolarHBondContact OH-O 2.93Å; T61-E81 HydrophobicContact CG2-CB 3.94Å; T61-E81 HydrophobicContact CG2-CG 4.18Å; K79-E81 PolarHBondContact O-N 2.81Å; E81-V83 HydrophobicContact CG-CG1 4.3Å | ||
| 82 | C | 95 | Very high | 91.3 | Very high | 14 Ų | 14 | 66.9 Ų | 66.9 | 10% | 0.095 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 124.1 | 174.3 | -72.1 | 0 | 0 | 0 | 0 | 109.5 | L32 K33 C54 K59 | L32-C82 HydrophobicContact CD1-CB 4.49Å; K33-C82 WeakPolarHBondContact O-CB 3.33Å; C54-C82 WeakPolarHBondContact CA-SG 3.31Å; C54-C82 HydrophobicContact CB-CB 3.79Å; C54-C82 WeakPolarHBondContact CB-SG 3.45Å; C54-C82 WeakPolarHBondContact SG-CA 3.24Å; C54-C82 WeakPolarHBondContact SG-CB 3.48Å; C54-C82 CovalentContact SG-SG 2.04Å; C54-C82 PolarHBondContact SG-SG 3.4Å; K59-C82 WeakPolarHBondContact O-CA 3.4Å |
| 83 | V | 94.8 | Very high | 90.4 | Very high | 26 Ų | 26 | 62.4 Ų | 62.4 | 16% | 0.158 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 154.3 | -179.5 | -61.6 | 0 | 0 | 0 | 0 | 110.4 | Y58 K59 T61 E81 V87 L89 | Y58-V83 CarbonylContact C-O 3.51Å; Y58-V83 WeakPolarHBondContact CA-O 3.42Å; K59-V83 HydrophobicContact CG-CG2 3.98Å; K59-V83 PolarHBondContact N-O 3.32Å; K59-V83 PolarHBondContact O-N 3.3Å; T61-V83 HydrophobicContact CG2-CG1 3.94Å; E81-V83 HydrophobicContact CG-CG1 4.3Å; V83-V87 HydrophobicContact CG2-CB 4.39Å; V83-L89 HydrophobicContact CG2-CD2 4.02Å |
| 84 | V | 94.9 | Very high | 89.6 | Confident | 68 Ų | 68 | 63 Ų | 63 | 41% | 0.412 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 140.3 | 177.6 | -175.3 | 0 | 0 | 0 | 0 | 109.6 | Y58 T86 V87 | Y58-V84 HydrophobicContact CD1-CG2 4.29Å; Y58-V84 HydrophobicContact CE1-CG2 3.83Å; V84-T86 PolarHBondContact O-N 2.71Å; V84-V87 HydrophobicContact CB-CG2 4.47Å; V84-V87 WeakPolarHBondContact O-CB 3.26Å; V84-V87 PolarHBondContact O-N 2.91Å |
| 85 | E | 89.9 | Confident | 89.1 | Confident | 98 Ų | 98 | 65.1 Ų | 65.1 | 46% | 0.458 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -27 | -175.3 | -77.9 | 171.8 | -163.1 | 0 | 0 | 114.3 | G57 K59 V87 G128 | G57-E85 WeakPolarHBondContact CA-OE1 3.43Å; G57-E85 PolarHBondContact N-OE1 2.97Å; G57-E85 VanDerWaalsContact N-OE1 3.17Å; G57-E85 PolarHBondContact O-N 3.38Å; G57-E85 VanDerWaalsContact O-N 3.08Å; K59-E85 HydrophobicContact CB-CG 4.37Å; K59-E85 WeakPolarHBondContact CE-O 3.46Å; K59-E85 PolarHBondContact NZ-O 2.04Å; E85-V87 VanDerWaalsContact C-N 3.27Å; E85-V87 PolarHBondContact O-N 3.18Å; E85-G128 WeakPolarHBondContact O-CA 3.16Å |
| 86 | T | 89.1 | Confident | 88.7 | Confident | 83 Ų | 83 | 60.1 Ų | 60.1 | 51% | 0.509 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -6.4 | 179.1 | 58.2 | 0 | 0 | 0 | 0 | 114.6 | V84 S127 G128 | V84-T86 PolarHBondContact O-N 2.71Å; T86-S127 CarbonylContact O-C 3.52Å; T86-G128 VanDerWaalsContact C-CA 3.41Å; T86-G128 WeakPolarHBondContact O-CA 3.41Å; T86-G128 PolarHBondContact O-N 2.8Å |
| 87 | V | 89.9 | Confident | 88.4 | Confident | 67 Ų | 67 | 64.7 Ų | 64.7 | 41% | 0.406 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -79.2 | 129 | 173.7 | 176.6 | 0 | 0 | 0 | 0 | 109.3 | K59 V83 V84 E85 | K59-V87 WeakPolarHBondContact CE-O 3.28Å; K59-V87 PolarHBondContact NZ-O 2.81Å; V83-V87 HydrophobicContact CG2-CB 4.39Å; V84-V87 HydrophobicContact CB-CG2 4.47Å; V84-V87 WeakPolarHBondContact O-CB 3.26Å; V84-V87 PolarHBondContact O-N 2.91Å; E85-V87 VanDerWaalsContact C-N 3.27Å; E85-V87 PolarHBondContact O-N 3.18Å |
| 88 | C | 88.2 | Confident | 88.4 | Confident | 19 Ų | 19 | 66.7 Ų | 66.7 | 13% | 0.128 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -81.9 | 121.6 | 172.1 | -62.6 | 0 | 0 | 0 | 0 | 110.5 | C125 G128 T129 W130 | C88-C125 HydrophobicContact CB-CB 3.71Å; C88-C125 WeakPolarHBondContact CB-SG 3.48Å; C88-C125 VanDerWaalsContact SG-CA 3.51Å; C88-C125 WeakPolarHBondContact SG-CB 3.37Å; C88-C125 CovalentContact SG-SG 2.01Å; C88-C125 PolarHBondContact SG-SG 2.7Å; C88-G128 VanDerWaalsContact SG-CA 3.53Å; C88-T129 PolarHBondContact SG-N 3.48Å; C88-T129 VanDerWaalsContact SG-N 3.38Å; C88-W130 HydrophobicContact CB-CD2 3.95Å; C88-W130 HydrophobicContact CB-CG 4.42Å; C88-W130 HydrophobicContact CB-CH2 4.09Å; C88-W130 HydrophobicContact CB-CZ2 3.44Å; C88-W130 VanDerWaalsContact CB-CZ2 3.44Å |
| 89 | L | 85.4 | Confident | 88.5 | Confident | 36 Ų | 36 | 68.8 Ų | 68.8 | 19% | 0.188 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 141 | 172.5 | -58.1 | 173.5 | 0 | 0 | 0 | 109 | T60 V83 W130 | T60-L89 VanDerWaalsContact O-CD1 3.27Å; T60-L89 WeakPolarHBondContact O-CD1 3.27Å; V83-L89 HydrophobicContact CG2-CD2 4.02Å; L89-W130 PolarHBondContact O-NE1 2.93Å |
| 90 | P | 82.1 | Confident | 88.5 | Confident | 92 Ų | 92 | 67.5 Ų | 67.5 | 60% | 0.597 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 128.9 | 179 | -25.7 | 34 | 0 | 0 | 0 | 112.2 | F98 | P90-F98 HydrophobicContact CB-CE1 4.26Å; P90-F98 HydrophobicContact CB-CE2 4.49Å; P90-F98 HydrophobicContact CB-CZ 3.68Å |
| 91 | P | 81.4 | Confident | 88.5 | Confident | 20 Ų | 20 | 69.1 Ų | 69.1 | 13% | 0.13 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -77.8 | 152 | -178 | 32.4 | -31.9 | 0 | 0 | 0 | 110.7 | I93 L106 V133 | P91-I93 HydrophobicContact CG-CG1 4.4Å; P91-L106 HydrophobicContact CG-CD1 3.79Å; P91-V133 HydrophobicContact CB-CG1 4.33Å; P91-V133 HydrophobicContact CB-CG2 4.32Å; P91-V133 HydrophobicContact CG-CG1 4.4Å |
| 92 | V | 77.9 | Confident | 88.3 | Confident | 127 Ų | 127 | 74.7 Ų | 74.7 | 77% | 0.77 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -79.4 | 126.1 | 167.5 | -179.3 | 0 | 0 | 0 | 0 | 108.8 | P94 | V92-P94 WeakPolarHBondContact O-CD 3.45Š|
| 93 | I | 77.8 | Confident | 88.1 | Confident | 15 Ų | 15 | 79.9 Ų | 79.9 | 8% | 0.077 | 42% | 0.424 | C | S | . | . | trans | -115.8 | 97 | 179.6 | -51.9 | -175.7 | 0 | 0 | 0 | 108.9 | P91 N95 G96 F98 I108 V133 | P91-I93 HydrophobicContact CG-CG1 4.4Å; I93-N95 PolarHBondContact O-N 3.35Å; I93-G96 PolarHBondContact O-N 2.86Å; I93-G96 VanDerWaalsContact O-N 3.09Å; I93-G96 VanDerWaalsContact O-O 3.14Å; I93-F98 HydrophobicContact CD1-CB 3.95Å; I93-F98 HydrophobicContact CD1-CD1 3.78Å; I93-F98 HydrophobicContact CD1-CG 4.31Å; I93-F98 HydrophobicContact CG1-CD1 4.36Å; I93-I108 HydrophobicContact CD1-CD1 3.29Å; I93-I108 HydrophobicContact CD1-CG1 4.08Å; I93-I108 HydrophobicContact CD1-CG2 3.93Å; I93-I108 HydrophobicContact CG2-CG2 4Å; I93-V133 HydrophobicContact CG1-CG1 4.45Å | ||
| 94 | P | 77.4 | Confident | 87.7 | Confident | 84 Ų | 84 | 79.9 Ų | 79.9 | 55% | 0.545 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | 130.3 | 176.5 | -24.3 | 34 | 0 | 0 | 0 | 110.6 | V92 G96 C136 | V92-P94 WeakPolarHBondContact O-CD 3.45Å; P94-G96 PolarHBondContact O-N 3Å; P94-G96 VanDerWaalsContact O-N 3.17Å; P94-C136 WeakPolarHBondContact O-CB 3.48Å |
| 95 | N | 84 | Confident | 87.6 | Confident | 66 Ų | 66 | 76.9 Ų | 76.9 | 35% | 0.353 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 25.6 | -179.1 | -52.9 | -52.1 | 0 | 0 | 0 | 114.8 | I93 N111 Y114 C136 | I93-N95 PolarHBondContact O-N 3.35Å; N95-N111 VanDerWaalsContact C-ND2 3.28Å; N95-N111 WeakPolarHBondContact CA-ND2 3.46Å; N95-N111 WeakPolarHBondContact O-CB 3.41Å; N95-N111 PolarHBondContact O-N 3.34Å; N95-Y114 HydrophobicContact CB-CD1 3.51Å; N95-Y114 HydrophobicContact CB-CD2 3.91Å; N95-Y114 HydrophobicContact CB-CE1 3.61Å; N95-Y114 HydrophobicContact CB-CE2 3.97Å; N95-Y114 HydrophobicContact CB-CG 3.7Å; N95-Y114 VanDerWaalsContact CG-CZ 3.41Å; N95-Y114 VanDerWaalsContact ND2-CE1 3.25Å; N95-Y114 WeakPolarHBondContact ND2-CE1 3.15Å; N95-C136 HydrophobicContact CB-CB 4.11Å; N95-C136 WeakPolarHBondContact O-CB 3.16Å |
| 96 | G | 88.6 | Confident | 87.8 | Confident | 14 Ų | 14 | 72.3 Ų | 72.3 | 14% | 0.144 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 175.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I93 P94 N109 | I93-G96 PolarHBondContact O-N 2.86Å; I93-G96 VanDerWaalsContact O-N 3.09Å; I93-G96 VanDerWaalsContact O-O 3.14Å; P94-G96 PolarHBondContact O-N 3Å; P94-G96 VanDerWaalsContact O-N 3.17Å; G96-N109 CarbonylContact C-O 3.59Å; G96-N109 WeakPolarHBondContact CA-O 3.14Å |
| 97 | K | 91.1 | Very high | 88.1 | Confident | 144 Ų | 144 | 71.2 Ų | 71.2 | 63% | 0.626 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136 | 166.3 | 174.6 | -61.2 | -177.6 | -175.7 | 179.8 | 0 | 107.8 | N109 | K97-N109 PolarHBondContact N-O 2.88Å; K97-N109 PolarHBondContact O-N 3.17Å |
| 98 | F | 93.1 | Very high | 88 | Confident | 79 Ų | 79 | 68.2 Ų | 68.2 | 35% | 0.346 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 153.8 | 172.7 | 62.8 | -95.2 | 0 | 0 | 0 | 111.2 | P90 I93 L106 E107 I108 | P90-F98 HydrophobicContact CB-CE1 4.26Å; P90-F98 HydrophobicContact CB-CE2 4.49Å; P90-F98 HydrophobicContact CB-CZ 3.68Å; I93-F98 HydrophobicContact CD1-CB 3.95Å; I93-F98 HydrophobicContact CD1-CD1 3.78Å; I93-F98 HydrophobicContact CD1-CG 4.31Å; I93-F98 HydrophobicContact CG1-CD1 4.36Å; F98-L106 HydrophobicContact CB-CB 4.22Å; F98-L106 HydrophobicContact CD2-CB 4.49Å; F98-L106 HydrophobicContact CD2-CD1 3.99Å; F98-L106 HydrophobicContact CD2-CD2 3.7Å; F98-L106 HydrophobicContact CD2-CG 4.26Å; F98-L106 HydrophobicContact CE2-CD1 4.35Å; F98-L106 HydrophobicContact CE2-CD2 4.09Å; F98-L106 HydrophobicContact CG-CD1 4.09Å; F98-L106 HydrophobicContact CG-CD2 4.49Å; F98-E107 CarbonylContact C-O 3.57Å; F98-E107 WeakPolarHBondContact CA-O 3.03Å; F98-I108 HydrophobicContact CB-CD1 3.7Å |
| 99 | K | 94.7 | Very high | 88.3 | Confident | 130 Ų | 130 | 71 Ų | 71 | 57% | 0.565 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 130.4 | 166.3 | -178.8 | -174.3 | 171.9 | -165.6 | 0 | 108.2 | E107 | K99-E107 PolarHBondContact N-O 2.85Å; K99-E107 PolarHBondContact O-N 2.89Å |
| 100 | Q | 93.9 | Very high | 88.6 | Confident | 131 Ų | 131 | 71 Ų | 71 | 61% | 0.612 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 130.5 | 174.4 | -169.4 | 170.1 | 26.5 | 0 | 0 | 110.5 | L106 | Q100-L106 HydrophobicContact CB-CD2 3.89Å; Q100-L106 HydrophobicContact CG-CD2 3.89Å |
| 101 | N | 92.9 | Very high | 89 | Confident | 43 Ų | 43 | 69.5 Ų | 69.5 | 23% | 0.23 | 36% | 0.364 | C | S | . | . | trans | -86.8 | 162.2 | 175.4 | -70.2 | -36 | 0 | 0 | 0 | 111.3 | N103 G104 S105 | N101-N103 WeakPolarHBondContact CB-OD1 3.43Å; N101-N103 PolarHBondContact O-N 2.65Å; N101-G104 PolarHBondContact O-N 3.29Å; N101-S105 WeakPolarHBondContact CB-O 3.48Å; N101-S105 PolarHBondContact N-O 3.05Å; N101-S105 PolarHBondContact ND2-OG 2.93Å | ||
| 102 | Q | 91.9 | Very high | 89.4 | Confident | 213 Ų | 213 | 72 Ų | 72 | 100% | 0.995 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -29.4 | -179.2 | -67 | -178 | -8.4 | 0 | 0 | 113.3 | G104 | Q102-G104 PolarHBondContact O-N 3.37Š|
| 103 | N | 89.9 | Confident | 90 | Very high | 123 Ų | 123 | 66 Ų | 66 | 66% | 0.658 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | 2.7 | 175.6 | 66.3 | -6.1 | 0 | 0 | 0 | 113.2 | N101 S105 | N101-N103 WeakPolarHBondContact CB-OD1 3.43Å; N101-N103 PolarHBondContact O-N 2.65Å; N103-S105 VanDerWaalsContact C-N 3.33Å; N103-S105 WeakPolarHBondContact OD1-CB 3.15Å; N103-S105 PolarHBondContact OD1-N 3.26Å; N103-S105 PolarHBondContact OD1-OG 2.83Å |
| 104 | G | 88.1 | Confident | 90.6 | Very high | 26 Ų | 26 | 67.3 Ų | 67.3 | 27% | 0.268 | 35% | 0.354 | S | S | . | . | S | Bend | trans | 84.5 | -3.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115 | N101 Q102 | N101-G104 PolarHBondContact O-N 3.29Å; Q102-G104 PolarHBondContact O-N 3.37Å |
| 105 | S | 92.5 | Very high | 91.2 | Very high | 4 Ų | 4 | 64.4 Ų | 64.4 | 3% | 0.028 | 34% | 0.336 | C | S | . | . | trans | -72.2 | 158.1 | 173.5 | 79.9 | 0 | 0 | 0 | 0 | 111.5 | N101 N103 V123 | N101-S105 WeakPolarHBondContact CB-O 3.48Å; N101-S105 PolarHBondContact N-O 3.05Å; N101-S105 PolarHBondContact ND2-OG 2.93Å; N103-S105 VanDerWaalsContact C-N 3.33Å; N103-S105 WeakPolarHBondContact OD1-CB 3.15Å; N103-S105 PolarHBondContact OD1-N 3.26Å; N103-S105 PolarHBondContact OD1-OG 2.83Å; S105-V123 CarbonylContact C-O 3.59Å; S105-V123 VanDerWaalsContact CA-O 3.3Å; S105-V123 WeakPolarHBondContact CA-O 3.04Å; S105-V123 VanDerWaalsContact CB-O 3.3Å; S105-V123 WeakPolarHBondContact CB-O 3.47Å | ||
| 106 | L | 93.4 | Very high | 91.4 | Very high | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.01 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 130.2 | 175.4 | -55.7 | -175.2 | 0 | 0 | 0 | 109.5 | P91 F98 Q100 I108 I122 V123 W130 | P91-L106 HydrophobicContact CG-CD1 3.79Å; F98-L106 HydrophobicContact CB-CB 4.22Å; F98-L106 HydrophobicContact CD2-CB 4.49Å; F98-L106 HydrophobicContact CD2-CD1 3.99Å; F98-L106 HydrophobicContact CD2-CD2 3.7Å; F98-L106 HydrophobicContact CD2-CG 4.26Å; F98-L106 HydrophobicContact CE2-CD1 4.35Å; F98-L106 HydrophobicContact CE2-CD2 4.09Å; F98-L106 HydrophobicContact CG-CD1 4.09Å; F98-L106 HydrophobicContact CG-CD2 4.49Å; Q100-L106 HydrophobicContact CB-CD2 3.89Å; Q100-L106 HydrophobicContact CG-CD2 3.89Å; L106-I108 HydrophobicContact CB-CD1 3.99Å; L106-I122 CarbonylContact O-C 3.56Å; L106-I122 WeakPolarHBondContact O-CA 3.38Å; L106-V123 HydrophobicContact CB-CB 4.42Å; L106-V123 PolarHBondContact N-O 3.27Å; L106-V123 PolarHBondContact O-N 3.23Å; L106-W130 HydrophobicContact CD1-CD2 4.36Å; L106-W130 HydrophobicContact CD1-CE3 4.31Å; L106-W130 HydrophobicContact CD1-CH2 3.62Å; L106-W130 HydrophobicContact CD1-CZ2 3.64Å; L106-W130 HydrophobicContact CD1-CZ3 3.95Å; L106-W130 HydrophobicContact CD2-CH2 3.91Å; L106-W130 HydrophobicContact CD2-CZ2 4.49Å; L106-W130 HydrophobicContact CD2-CZ3 4.45Å; L106-W130 HydrophobicContact CG-CE3 4.34Å; L106-W130 HydrophobicContact CG-CH2 3.47Å; L106-W130 VanDerWaalsContact CG-CH2 3.47Å; L106-W130 HydrophobicContact CG-CZ2 4.04Å; L106-W130 HydrophobicContact CG-CZ3 3.63Å |
| 107 | E | 94.8 | Very high | 91.1 | Very high | 61 Ų | 61 | 65.5 Ų | 65.5 | 29% | 0.285 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 120.3 | 167.7 | -172.3 | -177 | 171.7 | 0 | 0 | 108.9 | F98 K99 N121 | F98-E107 CarbonylContact C-O 3.57Å; F98-E107 WeakPolarHBondContact CA-O 3.03Å; K99-E107 PolarHBondContact N-O 2.85Å; K99-E107 PolarHBondContact O-N 2.89Å; E107-N121 CarbonylContact C-O 3.57Å; E107-N121 WeakPolarHBondContact CA-O 3.37Å |
| 108 | I | 89.6 | Confident | 90.6 | Very high | 3 Ų | 3 | 62.6 Ų | 62.6 | 2% | 0.015 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 130.7 | -175.4 | -48.5 | -42 | 0 | 0 | 0 | 110.4 | I93 F98 L106 L116 N121 V123 P134 | I93-I108 HydrophobicContact CD1-CD1 3.29Å; I93-I108 HydrophobicContact CD1-CG1 4.08Å; I93-I108 HydrophobicContact CD1-CG2 3.93Å; I93-I108 HydrophobicContact CG2-CG2 4Å; F98-I108 HydrophobicContact CB-CD1 3.7Å; L106-I108 HydrophobicContact CB-CD1 3.99Å; I108-L116 HydrophobicContact CG2-CD2 4.17Å; I108-N121 PolarHBondContact N-O 3.44Å; I108-V123 HydrophobicContact CD1-CG2 3.95Å; I108-V123 HydrophobicContact CG1-CG2 3.76Å; I108-P134 HydrophobicContact CB-CG 4.24Å; I108-P134 HydrophobicContact CG1-CG 3.82Å; I108-P134 HydrophobicContact CG2-CG 4.32Å |
| 109 | N | 93.6 | Very high | 90.1 | Very high | 79 Ų | 79 | 62.5 Ų | 62.5 | 42% | 0.422 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 118.8 | 175.2 | -57.2 | 104.8 | 0 | 0 | 0 | 109.4 | G96 K97 | G96-N109 CarbonylContact C-O 3.59Å; G96-N109 WeakPolarHBondContact CA-O 3.14Å; K97-N109 PolarHBondContact N-O 2.88Å; K97-N109 PolarHBondContact O-N 3.17Å |
| 110 | C | 92 | Very high | 89.6 | Confident | 35 Ų | 35 | 61.5 Ų | 61.5 | 24% | 0.236 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 149.1 | 176.4 | -62.7 | 0 | 0 | 0 | 0 | 112.1 | Y114 L116 C136 | C110-Y114 WeakPolarHBondContact CB-O 3.19Å; C110-L116 VanDerWaalsContact SG-CD2 3.58Å; C110-C136 WeakPolarHBondContact CA-SG 3.43Å; C110-C136 HydrophobicContact CB-CB 3.72Å; C110-C136 WeakPolarHBondContact CB-SG 3.02Å; C110-C136 VanDerWaalsContact SG-CA 3.56Å; C110-C136 WeakPolarHBondContact SG-CB 3.03Å; C110-C136 CovalentContact SG-SG 2.04Å; C110-C136 PolarHBondContact SG-SG 3.38Å |
| 111 | N | 90.3 | Very high | 89.4 | Confident | 61 Ų | 61 | 57.9 Ų | 57.9 | 33% | 0.326 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 162.3 | 172.4 | -66.5 | -23.7 | 0 | 0 | 0 | 110.5 | N95 G113 Y114 | N95-N111 VanDerWaalsContact C-ND2 3.28Å; N95-N111 WeakPolarHBondContact CA-ND2 3.46Å; N95-N111 WeakPolarHBondContact O-CB 3.41Å; N95-N111 PolarHBondContact O-N 3.34Å; N111-G113 PolarHBondContact O-N 2.76Å; N111-Y114 HydrophobicContact CB-CD2 4.3Å; N111-Y114 WeakPolarHBondContact O-CB 3.49Å; N111-Y114 PolarHBondContact O-N 3Å |
| 112 | A | 90.6 | Very high | 89.4 | Confident | 71 Ų | 71 | 59.3 Ų | 59.3 | 59% | 0.587 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 133.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | Y114 D163 | A112-Y114 VanDerWaalsContact C-N 3.28Å; A112-Y114 WeakPolarHBondContact O-CD2 3.48Å; A112-Y114 PolarHBondContact O-N 2.04Å; A112-D163 HydrophobicContact CB-CB 4.39Å |
| 113 | G | 89.3 | Confident | 89.3 | Confident | 2 Ų | 2 | 49.2 Ų | 49.2 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | 1.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | N111 H139 A142 | N111-G113 PolarHBondContact O-N 2.76Å; G113-H139 WeakPolarHBondContact O-CB 3.01Å; G113-H139 PolarHBondContact O-N 2.78Å; G113-A142 VanDerWaalsContact O-CB 3.3Å; G113-A142 WeakPolarHBondContact O-CB 3.43Å |
| 114 | Y | 91.1 | Very high | 89.4 | Confident | 43 Ų | 43 | 47.6 Ų | 47.6 | 17% | 0.169 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 156.3 | 174.9 | -62.9 | -98.7 | 0 | 0 | 0 | 112.2 | N95 C110 N111 A112 C136 Q137 K138 V161 | N95-Y114 HydrophobicContact CB-CD1 3.51Å; N95-Y114 HydrophobicContact CB-CD2 3.91Å; N95-Y114 HydrophobicContact CB-CE1 3.61Å; N95-Y114 HydrophobicContact CB-CE2 3.97Å; N95-Y114 HydrophobicContact CB-CG 3.7Å; N95-Y114 VanDerWaalsContact CG-CZ 3.41Å; N95-Y114 VanDerWaalsContact ND2-CE1 3.25Å; N95-Y114 WeakPolarHBondContact ND2-CE1 3.15Å; C110-Y114 WeakPolarHBondContact CB-O 3.19Å; N111-Y114 HydrophobicContact CB-CD2 4.3Å; N111-Y114 WeakPolarHBondContact O-CB 3.49Å; N111-Y114 PolarHBondContact O-N 3Å; A112-Y114 VanDerWaalsContact C-N 3.28Å; A112-Y114 WeakPolarHBondContact O-CD2 3.48Å; A112-Y114 PolarHBondContact O-N 2.04Å; Y114-C136 WeakPolarHBondContact CD1-O 3.48Å; Y114-Q137 CarbonylContact C-O 3.41Å; Y114-Q137 WeakPolarHBondContact CA-O 3.42Å; Y114-Q137 WeakPolarHBondContact CB-O 3.38Å; Y114-Q137 VanDerWaalsContact CD1-C 3.43Å; Y114-K138 HydrophobicContact CE1-CB 4.46Å; Y114-V161 HydrophobicContact CE1-CG2 4.45Å; Y114-V161 HydrophobicContact CE2-CB 3.87Å; Y114-V161 HydrophobicContact CE2-CG1 4.14Å; Y114-V161 HydrophobicContact CE2-CG2 4.14Å; Y114-V161 VanDerWaalsContact OH-CG2 3.28Å; Y114-V161 WeakPolarHBondContact OH-CG2 3.2Å |
| 115 | S | 90.4 | Very high | 89.5 | Confident | 22 Ų | 22 | 48.8 Ų | 48.8 | 15% | 0.154 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 159.5 | -178.1 | 51.7 | 0 | 0 | 0 | 0 | 112.5 | N117 Q137 H139 | S115-N117 PolarHBondContact O-N 3.45Å; S115-N117 PolarHBondContact OG-OD1 3.09Å; S115-Q137 PolarHBondContact N-O 2.98Å; S115-Q137 PolarHBondContact O-N 3.36Å; S115-H139 WeakPolarHBondContact OG-CA 3.48Å; S115-H139 WeakPolarHBondContact OG-CB 3.48Å; S115-H139 PolarHBondContact OG-CD2 3.34Å; S115-H139 VanDerWaalsContact OG-CD2 3.23Å |
| 116 | L | 86.4 | Confident | 89.4 | Confident | 25 Ų | 25 | 53.7 Ų | 53.7 | 13% | 0.131 | 31% | 0.31 | C | S | . | . | trans | -79 | -3.7 | 176.9 | -61.4 | 172.7 | 0 | 0 | 0 | 113.4 | I108 C110 G118 Q119 N121 P134 | I108-L116 HydrophobicContact CG2-CD2 4.17Å; C110-L116 VanDerWaalsContact SG-CD2 3.58Å; L116-G118 PolarHBondContact O-N 2.86Å; L116-Q119 HydrophobicContact CB-CB 4.24Å; L116-Q119 VanDerWaalsContact O-CB 3.29Å; L116-Q119 WeakPolarHBondContact O-CB 3.13Å; L116-Q119 WeakPolarHBondContact O-CG 3.01Å; L116-Q119 PolarHBondContact O-N 3.05Å; L116-N121 HydrophobicContact CD1-CB 3.35Å; L116-P134 HydrophobicContact CD2-CB 3.69Å; L116-P134 HydrophobicContact CD2-CG 3.71Å | ||
| 117 | N | 84.1 | Confident | 89.1 | Confident | 78 Ų | 78 | 58.5 Ų | 58.5 | 42% | 0.417 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.6 | 38.3 | 177.6 | -69.8 | -7.4 | 0 | 0 | 0 | 114.5 | S115 Q137 | S115-N117 PolarHBondContact O-N 3.45Å; S115-N117 PolarHBondContact OG-OD1 3.09Å; N117-Q137 PolarHBondContact ND2-OE1 2.88Å |
| 118 | G | 80.6 | Confident | 88.6 | Confident | 84 Ų | 84 | 56.3 Ų | 56.3 | 87% | 0.866 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.2 | 2.6 | 179 | 0 | 0 | 0 | 0 | 0 | 115.3 | L116 | L116-G118 PolarHBondContact O-N 2.86Š|
| 119 | Q | 81.1 | Confident | 88.2 | Confident | 76 Ų | 76 | 60.8 Ų | 60.8 | 36% | 0.355 | 37% | 0.365 | S | S | . | . | trans | -72.1 | 152.9 | 168.2 | -63.3 | 178.4 | -21 | 0 | 0 | 111.2 | L116 P134 | L116-Q119 HydrophobicContact CB-CB 4.24Å; L116-Q119 VanDerWaalsContact O-CB 3.29Å; L116-Q119 WeakPolarHBondContact O-CB 3.13Å; L116-Q119 WeakPolarHBondContact O-CG 3.01Å; L116-Q119 PolarHBondContact O-N 3.05Å; Q119-P134 HydrophobicContact CB-CB 4.02Å | ||
| 120 | D | 84.8 | Confident | 87.9 | Confident | 110 Ų | 110 | 59 Ų | 59 | 59% | 0.588 | 35% | 0.353 | S | S | * | . | trans | -62.7 | 139.6 | 173.1 | -161.1 | -17.1 | 0 | 0 | 0 | 110 | I122 | D120-I122 PolarHBondContact OD1-N 3.32Š| ||
| 121 | N | 90.6 | Very high | 87.5 | Confident | 54 Ų | 54 | 59.4 Ų | 59.4 | 29% | 0.289 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -92.1 | -4.5 | 177.5 | 73.7 | -40.3 | 0 | 0 | 0 | 112.4 | E107 I108 L116 | E107-N121 CarbonylContact C-O 3.57Å; E107-N121 WeakPolarHBondContact CA-O 3.37Å; I108-N121 PolarHBondContact N-O 3.44Å; L116-N121 HydrophobicContact CD1-CB 3.35Å |
| 122 | I | 91.8 | Very high | 87 | Confident | 73 Ų | 73 | 61.1 Ų | 61.1 | 37% | 0.374 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 128.9 | 178.1 | -59.6 | 177.2 | 0 | 0 | 0 | 110.3 | L106 D120 | L106-I122 CarbonylContact O-C 3.56Å; L106-I122 WeakPolarHBondContact O-CA 3.38Å; D120-I122 PolarHBondContact OD1-N 3.32Å |
| 123 | V | 90.3 | Very high | 86.4 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.006 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 131.7 | 176.6 | -170.5 | 0 | 0 | 0 | 0 | 109.4 | S105 L106 I108 W130 S131 V133 P134 | S105-V123 CarbonylContact C-O 3.59Å; S105-V123 VanDerWaalsContact CA-O 3.3Å; S105-V123 WeakPolarHBondContact CA-O 3.04Å; S105-V123 VanDerWaalsContact CB-O 3.3Å; S105-V123 WeakPolarHBondContact CB-O 3.47Å; L106-V123 HydrophobicContact CB-CB 4.42Å; L106-V123 PolarHBondContact N-O 3.27Å; L106-V123 PolarHBondContact O-N 3.23Å; I108-V123 HydrophobicContact CD1-CG2 3.95Å; I108-V123 HydrophobicContact CG1-CG2 3.76Å; V123-W130 HydrophobicContact CG1-CB 3.84Å; V123-W130 HydrophobicContact CG1-CD2 4.32Å; V123-W130 HydrophobicContact CG1-CE3 3.89Å; V123-W130 HydrophobicContact CG1-CG 4.34Å; V123-S131 WeakPolarHBondContact CG1-O 3.47Å; V123-S131 WeakPolarHBondContact CG1-OG 3.49Å; V123-V133 HydrophobicContact CG1-CG2 4.03Å; V123-P134 VanDerWaalsContact CG2-CD 3.48Å; V123-P134 HydrophobicContact CG2-CG 4.44Å |
| 124 | E | 92.1 | Very high | 85.9 | Confident | 90 Ų | 90 | 60.9 Ų | 60.9 | 42% | 0.421 | 37% | 0.369 | S | S | . | . | trans | -111.8 | 143.9 | -175.6 | -62.6 | -175.4 | 153.6 | 0 | 0 | 111.2 | H126 W130 S131 | E124-H126 WeakPolarHBondContact CB-NE2 3.45Å; E124-H126 IonicContact OE2-CE1 3.6Å; E124-H126 IonicContact OE2-NE2 3.42Å; E124-H126 PolarHBondContact OE2-NE2 3.48Å; E124-W130 VanDerWaalsContact C-CE3 3.48Å; E124-W130 CarbonylContact O-C 3.52Å; E124-W130 WeakPolarHBondContact O-CA 3.45Å; E124-S131 PolarHBondContact N-OG 2.79Å; E124-S131 PolarHBondContact O-N 2.78Å | ||
| 125 | C | 91.1 | Very high | 85.3 | Confident | 50 Ų | 50 | 63.7 Ų | 63.7 | 34% | 0.338 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 122.9 | 175.2 | 173.2 | 0 | 0 | 0 | 0 | 110.2 | C88 W130 | C88-C125 HydrophobicContact CB-CB 3.71Å; C88-C125 WeakPolarHBondContact CB-SG 3.48Å; C88-C125 VanDerWaalsContact SG-CA 3.51Å; C88-C125 WeakPolarHBondContact SG-CB 3.37Å; C88-C125 CovalentContact SG-SG 2.01Å; C88-C125 PolarHBondContact SG-SG 2.7Å; C125-W130 HydrophobicContact CB-CD2 4.4Å; C125-W130 HydrophobicContact CB-CE3 3.79Å; C125-W130 HydrophobicContact CB-CH2 3.88Å; C125-W130 HydrophobicContact CB-CZ2 4.5Å; C125-W130 HydrophobicContact CB-CZ3 3.5Å |
| 126 | H | 89.2 | Confident | 85 | Confident | 107 Ų | 107 | 63 Ų | 63 | 50% | 0.495 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 107.1 | 175.7 | -66.1 | -80.4 | 0 | 0 | 0 | 109.3 | E124 G128 T129 | E124-H126 WeakPolarHBondContact CB-NE2 3.45Å; E124-H126 IonicContact OE2-CE1 3.6Å; E124-H126 IonicContact OE2-NE2 3.42Å; E124-H126 PolarHBondContact OE2-NE2 3.48Å; H126-G128 VanDerWaalsContact C-N 3.32Å; H126-G128 PolarHBondContact O-N 3.45Å; H126-T129 PolarHBondContact N-O 3.21Å; H126-T129 PolarHBondContact O-N 3.18Å |
| 127 | S | 87.8 | Confident | 84.9 | Confident | 104 Ų | 104 | 65.8 Ų | 65.8 | 73% | 0.727 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.9 | 47.9 | 176.2 | -60.1 | 0 | 0 | 0 | 0 | 114.3 | T86 T129 | T86-S127 CarbonylContact O-C 3.52Å; S127-T129 VanDerWaalsContact C-N 3.33Å |
| 128 | G | 83.1 | Confident | 85 | Confident | 15 Ų | 15 | 65.4 Ų | 65.4 | 16% | 0.155 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | -0.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | E85 T86 C88 H126 | E85-G128 WeakPolarHBondContact O-CA 3.16Å; T86-G128 VanDerWaalsContact C-CA 3.41Å; T86-G128 WeakPolarHBondContact O-CA 3.41Å; T86-G128 PolarHBondContact O-N 2.8Å; C88-G128 VanDerWaalsContact SG-CA 3.53Å; H126-G128 VanDerWaalsContact C-N 3.32Å; H126-G128 PolarHBondContact O-N 3.45Å |
| 129 | T | 83.1 | Confident | 85.3 | Confident | 97 Ų | 97 | 64.2 Ų | 64.2 | 60% | 0.595 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 127.4 | 177.6 | -53.6 | 0 | 0 | 0 | 0 | 110.1 | C88 H126 S127 | C88-T129 PolarHBondContact SG-N 3.48Å; C88-T129 VanDerWaalsContact SG-N 3.38Å; H126-T129 PolarHBondContact N-O 3.21Å; H126-T129 PolarHBondContact O-N 3.18Å; S127-T129 VanDerWaalsContact C-N 3.33Å |
| 130 | W | 86.3 | Confident | 85.7 | Confident | 41 Ų | 41 | 65.3 Ų | 65.3 | 16% | 0.155 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 146 | 170.1 | -67.9 | 109.9 | 0 | 0 | 0 | 110.7 | C88 L89 L106 V123 E124 C125 V133 | C88-W130 HydrophobicContact CB-CD2 3.95Å; C88-W130 HydrophobicContact CB-CG 4.42Å; C88-W130 HydrophobicContact CB-CH2 4.09Å; C88-W130 HydrophobicContact CB-CZ2 3.44Å; C88-W130 VanDerWaalsContact CB-CZ2 3.44Å; L89-W130 PolarHBondContact O-NE1 2.93Å; L106-W130 HydrophobicContact CD1-CD2 4.36Å; L106-W130 HydrophobicContact CD1-CE3 4.31Å; L106-W130 HydrophobicContact CD1-CH2 3.62Å; L106-W130 HydrophobicContact CD1-CZ2 3.64Å; L106-W130 HydrophobicContact CD1-CZ3 3.95Å; L106-W130 HydrophobicContact CD2-CH2 3.91Å; L106-W130 HydrophobicContact CD2-CZ2 4.49Å; L106-W130 HydrophobicContact CD2-CZ3 4.45Å; L106-W130 HydrophobicContact CG-CE3 4.34Å; L106-W130 HydrophobicContact CG-CH2 3.47Å; L106-W130 VanDerWaalsContact CG-CH2 3.47Å; L106-W130 HydrophobicContact CG-CZ2 4.04Å; L106-W130 HydrophobicContact CG-CZ3 3.63Å; V123-W130 HydrophobicContact CG1-CB 3.84Å; V123-W130 HydrophobicContact CG1-CD2 4.32Å; V123-W130 HydrophobicContact CG1-CE3 3.89Å; V123-W130 HydrophobicContact CG1-CG 4.34Å; E124-W130 VanDerWaalsContact C-CE3 3.48Å; E124-W130 CarbonylContact O-C 3.52Å; E124-W130 WeakPolarHBondContact O-CA 3.45Å; C125-W130 HydrophobicContact CB-CD2 4.4Å; C125-W130 HydrophobicContact CB-CE3 3.79Å; C125-W130 HydrophobicContact CB-CH2 3.88Å; C125-W130 HydrophobicContact CB-CZ2 4.5Å; C125-W130 HydrophobicContact CB-CZ3 3.5Å; W130-V133 HydrophobicContact CB-CG2 3.75Å; W130-V133 HydrophobicContact CG-CG2 4.39Å |
| 131 | S | 83.5 | Confident | 85.9 | Confident | 44 Ų | 44 | 65.1 Ų | 65.1 | 31% | 0.308 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -60.1 | 176.5 | 162.5 | 68.8 | 0 | 0 | 0 | 0 | 110.1 | V123 E124 V133 | V123-S131 WeakPolarHBondContact CG1-O 3.47Å; V123-S131 WeakPolarHBondContact CG1-OG 3.49Å; E124-S131 PolarHBondContact N-OG 2.79Å; E124-S131 PolarHBondContact O-N 2.78Å; S131-V133 PolarHBondContact O-N 3.08Å |
| 132 | A | 80.8 | Confident | 85.9 | Confident | 97 Ų | 97 | 62.6 Ų | 62.6 | 80% | 0.802 | 35% | 0.351 | S | S | * | . | trans | -52.2 | 101.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | P134 | A132-P134 WeakPolarHBondContact O-CD 3.43Š| ||
| 133 | V | 77.9 | Confident | 85.5 | Confident | 58 Ų | 58 | 59.1 Ų | 59.1 | 35% | 0.352 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 118.9 | 179.5 | -175 | 0 | 0 | 0 | 0 | 107.7 | P91 I93 V123 W130 S131 | P91-V133 HydrophobicContact CB-CG1 4.33Å; P91-V133 HydrophobicContact CB-CG2 4.32Å; P91-V133 HydrophobicContact CG-CG1 4.4Å; I93-V133 HydrophobicContact CG1-CG1 4.45Å; V123-V133 HydrophobicContact CG1-CG2 4.03Å; W130-V133 HydrophobicContact CB-CG2 3.75Å; W130-V133 HydrophobicContact CG-CG2 4.39Å; S131-V133 PolarHBondContact O-N 3.08Å |
| 134 | P | 77.8 | Confident | 85.4 | Confident | 9 Ų | 9 | 63.6 Ų | 63.6 | 6% | 0.058 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -75.4 | 157.3 | -177.8 | 33.9 | -37.7 | 0 | 0 | 0 | 110.9 | I108 L116 Q119 V123 A132 | I108-P134 HydrophobicContact CB-CG 4.24Å; I108-P134 HydrophobicContact CG1-CG 3.82Å; I108-P134 HydrophobicContact CG2-CG 4.32Å; L116-P134 HydrophobicContact CD2-CB 3.69Å; L116-P134 HydrophobicContact CD2-CG 3.71Å; Q119-P134 HydrophobicContact CB-CB 4.02Å; V123-P134 VanDerWaalsContact CG2-CD 3.48Å; V123-P134 HydrophobicContact CG2-CG 4.44Å; A132-P134 WeakPolarHBondContact O-CD 3.43Å |
| 135 | F | 78 | Confident | 85.1 | Confident | 102 Ų | 102 | 64.2 Ų | 64.2 | 45% | 0.447 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -103.7 | 135.4 | 174.2 | 46.9 | -105.3 | 0 | 0 | 0 | 109.4 | Q137 | F135-Q137 HydrophobicContact CD2-CG 3.22Å; F135-Q137 HydrophobicContact CE2-CG 3.38Å; F135-Q137 HydrophobicContact CG-CG 4.5Å; F135-Q137 PolarHBondContact O-N 2.78Å |
| 136 | C | 84.5 | Confident | 84.8 | Confident | 8 Ų | 8 | 62.8 Ų | 62.8 | 5% | 0.054 | 35% | 0.35 | C | S | . | . | trans | -80 | 107.5 | 172.7 | -72.5 | 0 | 0 | 0 | 0 | 109.2 | P94 N95 C110 Y114 | P94-C136 WeakPolarHBondContact O-CB 3.48Å; N95-C136 HydrophobicContact CB-CB 4.11Å; N95-C136 WeakPolarHBondContact O-CB 3.16Å; C110-C136 WeakPolarHBondContact CA-SG 3.43Å; C110-C136 HydrophobicContact CB-CB 3.72Å; C110-C136 WeakPolarHBondContact CB-SG 3.02Å; C110-C136 VanDerWaalsContact SG-CA 3.56Å; C110-C136 WeakPolarHBondContact SG-CB 3.03Å; C110-C136 CovalentContact SG-SG 2.04Å; C110-C136 PolarHBondContact SG-SG 3.38Å; Y114-C136 WeakPolarHBondContact CD1-O 3.48Å | ||
| 137 | Q | 84.4 | Confident | 84.5 | Confident | 84 Ų | 84 | 60.1 Ų | 60.1 | 39% | 0.393 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 154 | 177.7 | -55.4 | -165.1 | -43.8 | 0 | 0 | 110.8 | Y114 S115 N117 F135 H139 | Y114-Q137 CarbonylContact C-O 3.41Å; Y114-Q137 WeakPolarHBondContact CA-O 3.42Å; Y114-Q137 WeakPolarHBondContact CB-O 3.38Å; Y114-Q137 VanDerWaalsContact CD1-C 3.43Å; S115-Q137 PolarHBondContact N-O 2.98Å; S115-Q137 PolarHBondContact O-N 3.36Å; N117-Q137 PolarHBondContact ND2-OE1 2.88Å; F135-Q137 HydrophobicContact CD2-CG 3.22Å; F135-Q137 HydrophobicContact CE2-CG 3.38Å; F135-Q137 HydrophobicContact CG-CG 4.5Å; F135-Q137 PolarHBondContact O-N 2.78Å; Q137-H139 PolarHBondContact O-N 2.81Å |
| 138 | K | 86.3 | Confident | 84.3 | Confident | 69 Ų | 69 | 60.1 Ų | 60.1 | 30% | 0.3 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.9 | 126.7 | 170 | -179.1 | -176.5 | 173.6 | -161.9 | 0 | 109.3 | Y114 A142 D144 V161 | Y114-K138 HydrophobicContact CE1-CB 4.46Å; K138-A142 WeakPolarHBondContact CE-O 3.47Å; K138-A142 HydrophobicContact CG-CB 4.18Å; K138-A142 PolarHBondContact NZ-O 2.93Å; K138-D144 WeakPolarHBondContact CE-OD1 3.21Å; K138-D144 IonicContact NZ-OD1 2.71Å; K138-D144 PolarHBondContact NZ-OD1 3.03Å; K138-D144 IonicContact NZ-OD2 2.8Å; K138-D144 PolarHBondContact NZ-OD2 2.87Å; K138-V161 HydrophobicContact CD-CG1 4.39Å; K138-V161 HydrophobicContact CD-CG2 4.28Å; K138-V161 HydrophobicContact CG-CG1 3.93Å; K138-V161 HydrophobicContact CG-CG2 4.37Å |
| 139 | H | 87.9 | Confident | 84.1 | Confident | 59 Ų | 59 | 60.3 Ų | 60.3 | 27% | 0.273 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 140.1 | 178.9 | -178 | -94.6 | 0 | 0 | 0 | 109.8 | G113 S115 Q137 K141 A142 | G113-H139 WeakPolarHBondContact O-CB 3.01Å; G113-H139 PolarHBondContact O-N 2.78Å; S115-H139 WeakPolarHBondContact OG-CA 3.48Å; S115-H139 WeakPolarHBondContact OG-CB 3.48Å; S115-H139 PolarHBondContact OG-CD2 3.34Å; S115-H139 VanDerWaalsContact OG-CD2 3.23Å; Q137-H139 PolarHBondContact O-N 2.81Å; H139-K141 PolarHBondContact ND1-N 2.83Å; H139-K141 VanDerWaalsContact ND1-N 3.17Å; H139-K141 PolarHBondContact O-N 2.04Å; H139-A142 HydrophobicContact CB-CB 4.17Å; H139-A142 VanDerWaalsContact O-CB 3.28Å; H139-A142 WeakPolarHBondContact O-CB 3.31Å; H139-A142 PolarHBondContact O-N 3.23Å |
| 140 | P | 88.2 | Confident | 84 | Confident | 99 Ų | 99 | 60.5 Ų | 60.5 | 64% | 0.643 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -23.6 | -175.5 | -27.2 | 35.1 | 0 | 0 | 0 | 115.2 | ||
| 141 | K | 88.6 | Confident | 83.9 | Confident | 107 Ų | 107 | 61 Ų | 61 | 47% | 0.465 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -3.9 | 176.9 | -56.9 | -176.6 | -178 | 176 | 0 | 113.9 | H139 A164 G192 | H139-K141 PolarHBondContact ND1-N 2.83Å; H139-K141 VanDerWaalsContact ND1-N 3.17Å; H139-K141 PolarHBondContact O-N 2.04Å; K141-A164 HydrophobicContact CB-CB 3.92Å; K141-G192 PolarHBondContact O-N 3.29Å |
| 142 | A | 91 | Very high | 83.9 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.008 | 35% | 0.347 | C | S | . | . | trans | -79.1 | 145.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | G113 K138 H139 V161 F162 G192 | G113-A142 VanDerWaalsContact O-CB 3.3Å; G113-A142 WeakPolarHBondContact O-CB 3.43Å; K138-A142 WeakPolarHBondContact CE-O 3.47Å; K138-A142 HydrophobicContact CG-CB 4.18Å; K138-A142 PolarHBondContact NZ-O 2.93Å; H139-A142 HydrophobicContact CB-CB 4.17Å; H139-A142 VanDerWaalsContact O-CB 3.28Å; H139-A142 WeakPolarHBondContact O-CB 3.31Å; H139-A142 PolarHBondContact O-N 3.23Å; A142-V161 HydrophobicContact CB-CG1 3.87Å; A142-F162 CarbonylContact C-O 3.59Å; A142-F162 WeakPolarHBondContact CA-O 3.34Å; A142-F162 VanDerWaalsContact CB-O 3.23Å; A142-F162 WeakPolarHBondContact CB-O 3.27Å; A142-G192 WeakPolarHBondContact O-CA 3.08Å | ||
| 143 | C | 84.7 | Confident | 83.9 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 34% | 0.335 | C | S | . | . | B | Isolated β-bridge | trans | -93 | 153.2 | 178.5 | -58.6 | 0 | 0 | 0 | 0 | 111.1 | V161 F162 C189 N193 W194 | C143-V161 WeakPolarHBondContact O-CA 3.45Å; C143-F162 HydrophobicContact CB-CB 4.44Å; C143-F162 PolarHBondContact N-O 2.79Å; C143-F162 PolarHBondContact O-N 3.41Å; C143-C189 HydrophobicContact CB-CB 3.82Å; C143-C189 WeakPolarHBondContact CB-SG 3.44Å; C143-C189 PolarHBondContact N-SG 3.5Å; C143-C189 WeakPolarHBondContact SG-CA 3.41Å; C143-C189 WeakPolarHBondContact SG-CB 3.39Å; C143-C189 CovalentContact SG-SG 2.03Å; C143-C189 PolarHBondContact SG-SG 2.93Å; C143-N193 PolarHBondContact SG-N 2.59Å; C143-N193 VanDerWaalsContact SG-N 3.39Å; C143-N193 PolarHBondContact SG-O 3.39Å; C143-W194 HydrophobicContact CB-CD2 4.29Å; C143-W194 HydrophobicContact CB-CZ2 3.73Å |
| 144 | D | 88.1 | Confident | 84.2 | Confident | 94 Ų | 94 | 59.9 Ų | 59.9 | 50% | 0.503 | 34% | 0.335 | S | S | . | . | trans | -75.6 | -168.3 | 163.4 | -62.9 | -54.9 | 0 | 0 | 0 | 110.2 | K138 W194 | K138-D144 WeakPolarHBondContact CE-OD1 3.21Å; K138-D144 IonicContact NZ-OD1 2.71Å; K138-D144 PolarHBondContact NZ-OD1 3.03Å; K138-D144 IonicContact NZ-OD2 2.8Å; K138-D144 PolarHBondContact NZ-OD2 2.87Å; D144-W194 WeakPolarHBondContact O-CZ2 3.46Å; D144-W194 PolarHBondContact O-NE1 2.77Å | ||
| 145 | Q | 85.2 | Confident | 84.6 | Confident | 104 Ų | 104 | 63.4 Ų | 63.4 | 49% | 0.486 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -51.7 | 136.4 | 174.9 | -63.2 | 173.2 | 43.8 | 0 | 0 | 112.1 | Y158 E160 W194 | Q145-Y158 VanDerWaalsContact CD-OH 3.31Å; Q145-Y158 HydrophobicContact CG-CE2 4.37Å; Q145-Y158 PolarHBondContact NE2-OH 3.4Å; Q145-E160 PolarHBondContact N-O 2.03Å; Q145-W194 PolarHBondContact O-NE1 3.26Å |
| 146 | P | 84.7 | Confident | 84.9 | Confident | 19 Ų | 19 | 61.6 Ų | 61.6 | 12% | 0.123 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 148.5 | 174.2 | -22 | 28.5 | 0 | 0 | 0 | 112.4 | I154 F162 V168 Y170 W194 | P146-I154 HydrophobicContact CB-CD1 3.79Å; P146-I154 HydrophobicContact CG-CD1 4.05Å; P146-F162 HydrophobicContact CG-CD2 4.47Å; P146-F162 HydrophobicContact CG-CE2 3.96Å; P146-F162 HydrophobicContact CG-CZ 4.14Å; P146-V168 HydrophobicContact CB-CG2 3.81Å; P146-V168 HydrophobicContact CG-CB 4.27Å; P146-V168 HydrophobicContact CG-CG1 3.82Å; P146-V168 HydrophobicContact CG-CG2 3.57Å; P146-Y170 HydrophobicContact CB-CE2 4.36Å; P146-Y170 WeakPolarHBondContact CB-OH 3.34Å; P146-W194 HydrophobicContact CB-CD2 4.33Å; P146-W194 HydrophobicContact CB-CZ2 4.25Å; P146-W194 HydrophobicContact CG-CD2 4.46Å; P146-W194 HydrophobicContact CG-CH2 3.94Å; P146-W194 HydrophobicContact CG-CZ2 3.53Å |
| 147 | P | 83.8 | Confident | 84.6 | Confident | 51 Ų | 51 | 66.3 Ų | 66.3 | 33% | 0.331 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 143.6 | -177.6 | 25.3 | -31.9 | 0 | 0 | 0 | 112 | V149 Y170 W194 T197 | P147-V149 PolarHBondContact O-N 3.46Å; P147-Y170 PolarHBondContact O-OH 2.81Å; P147-W194 HydrophobicContact CG-CB 4.49Å; P147-T197 HydrophobicContact CG-CG2 3.47Å; P147-T197 VanDerWaalsContact CG-CG2 3.47Å |
| 148 | A | 81.6 | Confident | 84.3 | Confident | 104 Ų | 104 | 69.6 Ų | 69.6 | 86% | 0.86 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 125.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 149 | V | 79.8 | Confident | 84 | Confident | 19 Ų | 19 | 70.3 Ų | 70.3 | 12% | 0.115 | 39% | 0.389 | C | S | . | . | trans | -108 | 122.5 | 178.3 | 175.2 | 0 | 0 | 0 | 0 | 109.6 | P147 N151 A152 Y170 P198 | P147-V149 PolarHBondContact O-N 3.46Å; V149-N151 PolarHBondContact O-N 3.39Å; V149-A152 HydrophobicContact CB-CB 3.89Å; V149-A152 HydrophobicContact CG1-CB 3.7Å; V149-A152 PolarHBondContact O-N 3.47Å; V149-A152 VanDerWaalsContact O-N 3.14Å; V149-Y170 HydrophobicContact CB-CD1 3.97Å; V149-Y170 HydrophobicContact CB-CE1 3.83Å; V149-Y170 HydrophobicContact CG2-CD1 3.92Å; V149-Y170 HydrophobicContact CG2-CE1 3.5Å; V149-P198 HydrophobicContact CG1-CG 4.32Å; V149-P198 WeakPolarHBondContact CG1-O 3.33Å; V149-P198 HydrophobicContact CG2-CG 4.29Å | ||
| 150 | P | 81.2 | Confident | 83.6 | Confident | 102 Ų | 102 | 73.1 Ų | 73.1 | 66% | 0.662 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 137.9 | 177.5 | -24.7 | 34.1 | 0 | 0 | 0 | 112.4 | A152 | P150-A152 PolarHBondContact O-N 3.39Š|
| 151 | N | 83.8 | Confident | 83.5 | Confident | 52 Ų | 52 | 69.1 Ų | 69.1 | 28% | 0.278 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 27.2 | -176.3 | -46.5 | -66.6 | 0 | 0 | 0 | 113.4 | V149 C172 R173 F176 C200 | V149-N151 PolarHBondContact O-N 3.39Å; N151-C172 CarbonylContact O-C 3.52Å; N151-C172 WeakPolarHBondContact O-CA 3.13Å; N151-R173 HydrophobicContact CB-CB 4.34Å; N151-R173 WeakPolarHBondContact O-CB 3.24Å; N151-R173 PolarHBondContact O-N 3.44Å; N151-F176 HydrophobicContact CB-CD1 3.8Å; N151-F176 HydrophobicContact CB-CD2 4.12Å; N151-F176 HydrophobicContact CB-CE1 3.92Å; N151-F176 HydrophobicContact CB-CE2 4.23Å; N151-F176 HydrophobicContact CB-CG 3.92Å; N151-F176 HydrophobicContact CB-CZ 4.14Å; N151-F176 VanDerWaalsContact CG-CE1 3.5Å; N151-F176 VanDerWaalsContact ND2-CE1 3.34Å; N151-F176 WeakPolarHBondContact ND2-CE1 3Å; N151-C200 HydrophobicContact CB-CB 4.4Å |
| 152 | A | 84.4 | Confident | 83.5 | Confident | 17 Ų | 17 | 64.4 Ų | 64.4 | 14% | 0.14 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 158.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | V149 P150 Y170 Q171 | V149-A152 HydrophobicContact CB-CB 3.89Å; V149-A152 HydrophobicContact CG1-CB 3.7Å; V149-A152 PolarHBondContact O-N 3.47Å; V149-A152 VanDerWaalsContact O-N 3.14Å; P150-A152 PolarHBondContact O-N 3.39Å; A152-Y170 HydrophobicContact CB-CD1 4.04Å; A152-Q171 CarbonylContact C-O 3.55Å; A152-Q171 WeakPolarHBondContact CA-O 3.25Å |
| 153 | V | 79.8 | Confident | 83.6 | Confident | 91 Ų | 91 | 67.6 Ų | 67.6 | 55% | 0.552 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 152 | 172.1 | -64.8 | 0 | 0 | 0 | 0 | 109.2 | I155 Y170 Q171 | V153-I155 HydrophobicContact CG2-CG2 4.11Å; V153-Y170 CarbonylContact O-C 3.49Å; V153-Y170 WeakPolarHBondContact O-CA 3.45Å; V153-Q171 HydrophobicContact CG2-CB 4.25Å; V153-Q171 PolarHBondContact N-O 3.04Å; V153-Q171 PolarHBondContact O-N 3.13Å |
| 154 | I | 85.5 | Confident | 83.7 | Confident | 67 Ų | 67 | 68.4 Ų | 68.4 | 34% | 0.344 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 128.2 | 173.3 | -65.3 | 169.7 | 0 | 0 | 0 | 107.5 | P146 Q156 Y170 | P146-I154 HydrophobicContact CB-CD1 3.79Å; P146-I154 HydrophobicContact CG-CD1 4.05Å; I154-Q156 HydrophobicContact CG2-CG 3.39Å; I154-Y170 HydrophobicContact CD1-CE1 3.95Å; I154-Y170 HydrophobicContact CD1-CE2 4.36Å; I154-Y170 HydrophobicContact CG1-CD1 3.85Å; I154-Y170 HydrophobicContact CG1-CD2 4.39Å; I154-Y170 HydrophobicContact CG1-CE1 3.5Å; I154-Y170 VanDerWaalsContact CG1-CE1 3.5Å; I154-Y170 HydrophobicContact CG1-CE2 4.06Å; I154-Y170 HydrophobicContact CG1-CG 4.3Å |
| 155 | I | 84.9 | Confident | 83.6 | Confident | 83 Ų | 83 | 71.9 Ų | 71.9 | 43% | 0.426 | 39% | 0.386 | S | S | . | . | trans | -104.7 | 36 | -171.3 | 56.7 | 164.6 | 0 | 0 | 0 | 113.6 | V153 T169 Q171 | V153-I155 HydrophobicContact CG2-CG2 4.11Å; I155-T169 HydrophobicContact CD1-CG2 3.8Å; I155-T169 HydrophobicContact CG1-CG2 3.93Å; I155-T169 WeakPolarHBondContact CG1-O 3.49Å; I155-T169 PolarHBondContact N-O 2.9Å; I155-T169 VanDerWaalsContact N-O 3.11Å; I155-Q171 HydrophobicContact CD1-CB 4.36Å; I155-Q171 HydrophobicContact CG2-CB 3.56Å | ||
| 156 | Q | 84 | Confident | 83.9 | Confident | 63 Ų | 63 | 68.6 Ų | 68.6 | 29% | 0.294 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -137 | 170.7 | 178.2 | 56.6 | -173.6 | 68.9 | 0 | 0 | 110.1 | I154 | I154-Q156 HydrophobicContact CG2-CG 3.39Š|
| 157 | T | 78.3 | Confident | 84.2 | Confident | 108 Ų | 108 | 71.6 Ų | 71.6 | 66% | 0.663 | 39% | 0.392 | S | S | * | . | trans | -62 | 139.7 | 178.7 | 50 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 158 | Y | 79.6 | Confident | 84.4 | Confident | 153 Ų | 153 | 69.1 Ų | 69.1 | 60% | 0.6 | 38% | 0.376 | S | S | * | . | trans | -61.8 | 135.7 | 174.8 | 175.2 | -97.2 | 0 | 0 | 0 | 110.6 | Q145 E160 | Q145-Y158 VanDerWaalsContact CD-OH 3.31Å; Q145-Y158 HydrophobicContact CG-CE2 4.37Å; Q145-Y158 PolarHBondContact NE2-OH 3.4Å; Y158-E160 HydrophobicContact CE1-CG 3.78Å | ||
| 159 | Q | 79.5 | Confident | 84.8 | Confident | 84 Ų | 84 | 66.2 Ų | 66.2 | 39% | 0.393 | 35% | 0.348 | S | S | . | . | trans | -143.1 | 142.4 | 173.8 | -61.6 | 175.7 | 47.9 | 0 | 0 | 108 | F162 | Q159-F162 HydrophobicContact CB-CE1 4.21Å; Q159-F162 HydrophobicContact CB-CE2 3.91Å; Q159-F162 HydrophobicContact CB-CZ 3.74Å; Q159-F162 HydrophobicContact CG-CZ 4.46Å; Q159-F162 VanDerWaalsContact O-CE2 3.3Å; Q159-F162 WeakPolarHBondContact O-CE2 3.25Å | ||
| 160 | E | 78.7 | Confident | 85.1 | Confident | 118 Ų | 118 | 65.4 Ų | 65.4 | 55% | 0.551 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -80 | -34.2 | 179.3 | -68.2 | -174.7 | 160.9 | 0 | 0 | 112.4 | Q145 Y158 | Q145-E160 PolarHBondContact N-O 2.03Å; Y158-E160 HydrophobicContact CE1-CG 3.78Å |
| 161 | V | 86.4 | Confident | 85.5 | Confident | 15 Ų | 15 | 64.1 Ų | 64.1 | 9% | 0.091 | 33% | 0.328 | C | S | . | . | trans | -131.1 | 135.4 | -176.2 | 177.5 | 0 | 0 | 0 | 0 | 109.4 | Y114 K138 A142 C143 | Y114-V161 HydrophobicContact CE1-CG2 4.45Å; Y114-V161 HydrophobicContact CE2-CB 3.87Å; Y114-V161 HydrophobicContact CE2-CG1 4.14Å; Y114-V161 HydrophobicContact CE2-CG2 4.14Å; Y114-V161 VanDerWaalsContact OH-CG2 3.28Å; Y114-V161 WeakPolarHBondContact OH-CG2 3.2Å; K138-V161 HydrophobicContact CD-CG1 4.39Å; K138-V161 HydrophobicContact CD-CG2 4.28Å; K138-V161 HydrophobicContact CG-CG1 3.93Å; K138-V161 HydrophobicContact CG-CG2 4.37Å; A142-V161 HydrophobicContact CB-CG1 3.87Å; C143-V161 WeakPolarHBondContact O-CA 3.45Å | ||
| 162 | F | 89.3 | Confident | 85.4 | Confident | 8 Ų | 8 | 61.9 Ų | 61.9 | 4% | 0.035 | 32% | 0.316 | C | S | . | . | B | Isolated β-bridge | trans | -116.1 | 129.5 | 178.7 | -72 | -95.5 | 0 | 0 | 0 | 109.9 | A142 C143 P146 Q159 V168 W194 | A142-F162 CarbonylContact C-O 3.59Å; A142-F162 WeakPolarHBondContact CA-O 3.34Å; A142-F162 VanDerWaalsContact CB-O 3.23Å; A142-F162 WeakPolarHBondContact CB-O 3.27Å; C143-F162 HydrophobicContact CB-CB 4.44Å; C143-F162 PolarHBondContact N-O 2.79Å; C143-F162 PolarHBondContact O-N 3.41Å; P146-F162 HydrophobicContact CG-CD2 4.47Å; P146-F162 HydrophobicContact CG-CE2 3.96Å; P146-F162 HydrophobicContact CG-CZ 4.14Å; Q159-F162 HydrophobicContact CB-CE1 4.21Å; Q159-F162 HydrophobicContact CB-CE2 3.91Å; Q159-F162 HydrophobicContact CB-CZ 3.74Å; Q159-F162 HydrophobicContact CG-CZ 4.46Å; Q159-F162 VanDerWaalsContact O-CE2 3.3Å; Q159-F162 WeakPolarHBondContact O-CE2 3.25Å; F162-V168 HydrophobicContact CD1-CG1 3.8Å; F162-V168 HydrophobicContact CE1-CG1 3.39Å; F162-V168 HydrophobicContact CZ-CG1 3.89Å; F162-W194 HydrophobicContact CB-CH2 3.71Å; F162-W194 HydrophobicContact CB-CZ2 3.67Å; F162-W194 AromaticContact CD1-CH2 3.84Å; F162-W194 HydrophobicContact CD1-CH2 3.84Å; F162-W194 HydrophobicContact CD1-CZ2 4.23Å; F162-W194 HydrophobicContact CD2-CH2 4.04Å; F162-W194 AromaticContact CD2-CZ2 3.56Å; F162-W194 HydrophobicContact CD2-CZ2 3.56Å; F162-W194 HydrophobicContact CE1-CH2 4.49Å; F162-W194 HydrophobicContact CE2-CZ2 4.25Å; F162-W194 AromaticContact CG-CH2 3.57Å; F162-W194 HydrophobicContact CG-CH2 3.57Å; F162-W194 AromaticContact CG-CZ2 3.54Å; F162-W194 HydrophobicContact CG-CZ2 3.54Å |
| 163 | D | 91.7 | Very high | 85.5 | Confident | 68 Ų | 68 | 68.8 Ų | 68.8 | 36% | 0.364 | 34% | 0.338 | S | S | . | . | trans | -62.3 | 158.1 | 177.5 | -160.5 | 9.6 | 0 | 0 | 0 | 111.7 | A112 Y165 S166 | A112-D163 HydrophobicContact CB-CB 4.39Å; D163-Y165 PolarHBondContact O-N 2.91Å; D163-S166 PolarHBondContact N-OG 3.43Å; D163-S166 VanDerWaalsContact N-OG 3.17Å; D163-S166 WeakPolarHBondContact O-CB 3.45Å; D163-S166 PolarHBondContact O-N 2.85Å; D163-S166 PolarHBondContact O-OG 2.7Å | ||
| 164 | A | 87.4 | Confident | 85.7 | Confident | 16 Ų | 16 | 71.3 Ų | 71.3 | 13% | 0.132 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 136.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | K141 S166 | K141-A164 HydrophobicContact CB-CB 3.92Å; A164-S166 PolarHBondContact O-N 2.97Å |
| 165 | Y | 86.9 | Confident | 85.6 | Confident | 168 Ų | 168 | 70.7 Ų | 70.7 | 66% | 0.659 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.5 | 7.5 | -177 | -42.4 | -71.2 | 0 | 0 | 0 | 115.2 | D163 C189 E190 | D163-Y165 PolarHBondContact O-N 2.91Å; Y165-C189 WeakPolarHBondContact CA-O 3.47Å; Y165-C189 PolarHBondContact N-O 3.38Å; Y165-E190 HydrophobicContact CD1-CG 4.41Å |
| 166 | S | 89.8 | Confident | 85.7 | Confident | 35 Ų | 35 | 68 Ų | 68 | 25% | 0.245 | 35% | 0.345 | C | S | . | . | trans | -61.4 | 147.7 | 168.2 | -61.8 | 0 | 0 | 0 | 0 | 110.6 | D163 A164 C189 | D163-S166 PolarHBondContact N-OG 3.43Å; D163-S166 VanDerWaalsContact N-OG 3.17Å; D163-S166 WeakPolarHBondContact O-CB 3.45Å; D163-S166 PolarHBondContact O-N 2.85Å; D163-S166 PolarHBondContact O-OG 2.7Å; A164-S166 PolarHBondContact O-N 2.97Å; S166-C189 PolarHBondContact O-N 3.2Å | ||
| 167 | T | 91.3 | Very high | 85.8 | Confident | 81 Ų | 81 | 67.5 Ų | 67.5 | 50% | 0.497 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 148.2 | 175.1 | 54.6 | 0 | 0 | 0 | 0 | 111 | T186 V187 | T167-T186 VanDerWaalsContact CB-CG2 3.48Å; T167-T186 HydrophobicContact CG2-CG2 3.97Å; T167-V187 CarbonylContact C-O 3.47Å; T167-V187 WeakPolarHBondContact CA-O 2.99Å |
| 168 | V | 88.4 | Confident | 86.1 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 139.8 | 170.6 | -43.1 | 0 | 0 | 0 | 0 | 112.7 | P146 F162 Y170 T186 V187 W194 | P146-V168 HydrophobicContact CB-CG2 3.81Å; P146-V168 HydrophobicContact CG-CB 4.27Å; P146-V168 HydrophobicContact CG-CG1 3.82Å; P146-V168 HydrophobicContact CG-CG2 3.57Å; F162-V168 HydrophobicContact CD1-CG1 3.8Å; F162-V168 HydrophobicContact CE1-CG1 3.39Å; F162-V168 HydrophobicContact CZ-CG1 3.89Å; V168-Y170 HydrophobicContact CG2-CD2 4.14Å; V168-Y170 HydrophobicContact CG2-CE2 3.56Å; V168-T186 CarbonylContact O-C 3.51Å; V168-T186 WeakPolarHBondContact O-CA 3.19Å; V168-V187 HydrophobicContact CB-CG2 4.38Å; V168-V187 HydrophobicContact CG2-CG2 3.23Å; V168-V187 PolarHBondContact N-O 3.42Å; V168-V187 PolarHBondContact O-N 3.01Å; V168-W194 HydrophobicContact CG1-CH2 3.5Å; V168-W194 HydrophobicContact CG1-CZ2 4.4Å; V168-W194 HydrophobicContact CG1-CZ3 3.82Å; V168-W194 HydrophobicContact CG2-CH2 4.43Å; V168-W194 HydrophobicContact CG2-CZ3 4.16Å |
| 169 | T | 89.1 | Confident | 86.3 | Confident | 42 Ų | 42 | 60.6 Ų | 60.6 | 26% | 0.258 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 123.2 | -177.7 | -52 | 0 | 0 | 0 | 0 | 110.9 | I155 T185 | I155-T169 HydrophobicContact CD1-CG2 3.8Å; I155-T169 HydrophobicContact CG1-CG2 3.93Å; I155-T169 WeakPolarHBondContact CG1-O 3.49Å; I155-T169 PolarHBondContact N-O 2.9Å; I155-T169 VanDerWaalsContact N-O 3.11Å; T169-T185 WeakPolarHBondContact CA-O 2.97Å |
| 170 | Y | 86.7 | Confident | 86.6 | Confident | 3 Ų | 3 | 62.6 Ų | 62.6 | 1% | 0.012 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 139.8 | 169.8 | -75 | -102.4 | 0 | 0 | 0 | 110.1 | P146 P147 V149 A152 V153 I154 V168 T184 T185 V187 P198 | P146-Y170 HydrophobicContact CB-CE2 4.36Å; P146-Y170 WeakPolarHBondContact CB-OH 3.34Å; P147-Y170 PolarHBondContact O-OH 2.81Å; V149-Y170 HydrophobicContact CB-CD1 3.97Å; V149-Y170 HydrophobicContact CB-CE1 3.83Å; V149-Y170 HydrophobicContact CG2-CD1 3.92Å; V149-Y170 HydrophobicContact CG2-CE1 3.5Å; A152-Y170 HydrophobicContact CB-CD1 4.04Å; V153-Y170 CarbonylContact O-C 3.49Å; V153-Y170 WeakPolarHBondContact O-CA 3.45Å; I154-Y170 HydrophobicContact CD1-CE1 3.95Å; I154-Y170 HydrophobicContact CD1-CE2 4.36Å; I154-Y170 HydrophobicContact CG1-CD1 3.85Å; I154-Y170 HydrophobicContact CG1-CD2 4.39Å; I154-Y170 HydrophobicContact CG1-CE1 3.5Å; I154-Y170 VanDerWaalsContact CG1-CE1 3.5Å; I154-Y170 HydrophobicContact CG1-CE2 4.06Å; I154-Y170 HydrophobicContact CG1-CG 4.3Å; V168-Y170 HydrophobicContact CG2-CD2 4.14Å; V168-Y170 HydrophobicContact CG2-CE2 3.56Å; Y170-T184 CarbonylContact O-C 3.59Å; Y170-T184 WeakPolarHBondContact O-CA 3.33Å; Y170-T185 PolarHBondContact N-O 2.68Å; Y170-T185 PolarHBondContact O-N 3.38Å; Y170-V187 HydrophobicContact CD2-CG1 3.9Å; Y170-V187 HydrophobicContact CD2-CG2 4.18Å; Y170-V187 HydrophobicContact CE2-CB 4.45Å; Y170-V187 HydrophobicContact CE2-CG1 3.86Å; Y170-V187 HydrophobicContact CE2-CG2 3.63Å; Y170-P198 HydrophobicContact CG-CG 4.27Å |
| 171 | Q | 89.3 | Confident | 86.9 | Confident | 75 Ų | 75 | 67 Ų | 67 | 35% | 0.35 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 121.7 | 167.9 | 178.9 | 171.9 | -9.4 | 0 | 0 | 109.1 | A152 V153 I155 T184 | A152-Q171 CarbonylContact C-O 3.55Å; A152-Q171 WeakPolarHBondContact CA-O 3.25Å; V153-Q171 HydrophobicContact CG2-CB 4.25Å; V153-Q171 PolarHBondContact N-O 3.04Å; V153-Q171 PolarHBondContact O-N 3.13Å; I155-Q171 HydrophobicContact CD1-CB 4.36Å; I155-Q171 HydrophobicContact CG2-CB 3.56Å; Q171-T184 HydrophobicContact CB-CG2 4.14Å; Q171-T184 HydrophobicContact CG-CG2 4.2Å |
| 172 | C | 82.9 | Confident | 86.9 | Confident | 5 Ų | 5 | 71.6 Ų | 71.6 | 3% | 0.034 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 145.4 | 169.7 | -62.9 | 0 | 0 | 0 | 0 | 110.1 | N151 F176 S183 C200 | N151-C172 CarbonylContact O-C 3.52Å; N151-C172 WeakPolarHBondContact O-CA 3.13Å; C172-F176 HydrophobicContact CB-CB 4.14Å; C172-F176 VanDerWaalsContact CB-O 3.31Å; C172-F176 WeakPolarHBondContact CB-O 3.47Å; C172-S183 PolarHBondContact N-O 3.42Å; C172-C200 VanDerWaalsContact CA-SG 3.53Å; C172-C200 HydrophobicContact CB-CB 3.79Å; C172-C200 WeakPolarHBondContact CB-SG 3.36Å; C172-C200 WeakPolarHBondContact SG-CB 3.09Å; C172-C200 CovalentContact SG-SG 2.04Å; C172-C200 PolarHBondContact SG-SG 2.96Å |
| 173 | R | 86.8 | Confident | 86.7 | Confident | 161 Ų | 161 | 74.4 Ų | 74.4 | 61% | 0.608 | 38% | 0.375 | S | S | * | . | trans | -61.7 | 148.8 | 171.4 | -176 | -176.7 | -66.9 | 175.5 | -1.6 | 109.8 | N151 G175 F176 | N151-R173 HydrophobicContact CB-CB 4.34Å; N151-R173 WeakPolarHBondContact O-CB 3.24Å; N151-R173 PolarHBondContact O-N 3.44Å; R173-G175 PolarHBondContact O-N 3.21Å; R173-F176 HydrophobicContact CB-CD2 4.29Å; R173-F176 WeakPolarHBondContact O-CB 3.19Å; R173-F176 PolarHBondContact O-N 2.82Å | ||
| 174 | D | 83.7 | Confident | 86.6 | Confident | 145 Ų | 145 | 73.7 Ų | 73.7 | 78% | 0.775 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.7 | 130.4 | 176.1 | -61.5 | -22.3 | 0 | 0 | 0 | 113.2 | F176 | D174-F176 VanDerWaalsContact C-N 3.32Š|
| 175 | G | 83.3 | Confident | 86.6 | Confident | 54 Ų | 54 | 74.2 Ų | 74.2 | 56% | 0.557 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.7 | 0.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | R173 R202 P203 | R173-G175 PolarHBondContact O-N 3.21Å; G175-R202 WeakPolarHBondContact O-CG 3.38Å; G175-P203 WeakPolarHBondContact O-CD 3.24Å |
| 176 | F | 86.4 | Confident | 86.7 | Confident | 27 Ų | 27 | 69.8 Ų | 69.8 | 12% | 0.118 | 37% | 0.366 | C | S | . | . | trans | -112.8 | 143.8 | 170.3 | -64.9 | -106.3 | 0 | 0 | 0 | 110.3 | N151 C172 R173 D174 C200 T201 R202 | N151-F176 HydrophobicContact CB-CD1 3.8Å; N151-F176 HydrophobicContact CB-CD2 4.12Å; N151-F176 HydrophobicContact CB-CE1 3.92Å; N151-F176 HydrophobicContact CB-CE2 4.23Å; N151-F176 HydrophobicContact CB-CG 3.92Å; N151-F176 HydrophobicContact CB-CZ 4.14Å; N151-F176 VanDerWaalsContact CG-CE1 3.5Å; N151-F176 VanDerWaalsContact ND2-CE1 3.34Å; N151-F176 WeakPolarHBondContact ND2-CE1 3Å; C172-F176 HydrophobicContact CB-CB 4.14Å; C172-F176 VanDerWaalsContact CB-O 3.31Å; C172-F176 WeakPolarHBondContact CB-O 3.47Å; R173-F176 HydrophobicContact CB-CD2 4.29Å; R173-F176 WeakPolarHBondContact O-CB 3.19Å; R173-F176 PolarHBondContact O-N 2.82Å; D174-F176 VanDerWaalsContact C-N 3.32Å; F176-C200 HydrophobicContact CB-CB 4.03Å; F176-C200 WeakPolarHBondContact CD1-O 3.42Å; F176-T201 CarbonylContact C-O 3.58Å; F176-T201 WeakPolarHBondContact CA-O 3.37Å; F176-R202 HydrophobicContact CD1-CG 4.02Å; F176-R202 HydrophobicContact CD2-CG 4.37Å; F176-R202 HydrophobicContact CE1-CG 3.81Å; F176-R202 HydrophobicContact CE2-CG 4.18Å; F176-R202 HydrophobicContact CG-CG 4.29Å; F176-R202 HydrophobicContact CZ-CG 3.9Å | ||
| 177 | L | 85.3 | Confident | 86.5 | Confident | 52 Ų | 52 | 68.1 Ų | 68.1 | 27% | 0.272 | 35% | 0.354 | S | S | . | . | B | Isolated β-bridge | trans | -130.5 | 158.3 | 176.7 | -58.8 | 175.6 | 0 | 0 | 0 | 110.4 | R181 E182 C200 T201 P203 | L177-R181 HydrophobicContact CD1-CB 4.24Å; L177-E182 CarbonylContact C-O 3.53Å; L177-E182 VanDerWaalsContact CA-O 3.28Å; L177-E182 WeakPolarHBondContact CA-O 3.39Å; L177-C200 CarbonylContact O-C 3.6Å; L177-C200 WeakPolarHBondContact O-CA 3.3Å; L177-T201 PolarHBondContact N-O 3.05Å; L177-T201 PolarHBondContact O-N 3.25Å; L177-P203 HydrophobicContact CD1-CG 3.77Å; L177-P203 HydrophobicContact CG-CG 4.22Å |
| 178 | T | 85.4 | Confident | 86.3 | Confident | 5 Ų | 5 | 65.6 Ų | 65.6 | 3% | 0.031 | 34% | 0.34 | C | S | . | . | trans | -68.3 | 175.4 | 174.2 | 64.6 | 0 | 0 | 0 | 0 | 111.5 | D180 R181 E182 T185 | T178-D180 PolarHBondContact O-N 2.77Å; T178-D180 PolarHBondContact OG1-N 2.89Å; T178-R181 PolarHBondContact O-N 3.21Å; T178-E182 WeakPolarHBondContact CG2-O 3.43Å; T178-E182 PolarHBondContact N-O 2.84Å; T178-E182 PolarHBondContact OG1-N 2.88Å; T178-E182 PolarHBondContact OG1-O 2.76Å; T178-T185 HydrophobicContact CG2-CG2 3.68Å | ||
| 179 | Q | 83.6 | Confident | 86.1 | Confident | 111 Ų | 111 | 65.6 Ų | 65.6 | 52% | 0.519 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -35.4 | 173.8 | -66.9 | 99.6 | -40.7 | 0 | 0 | 112.3 | R181 R199 | Q179-R181 PolarHBondContact O-N 3.45Å; Q179-R199 VanDerWaalsContact OE1-N 3.11Å |
| 180 | D | 85.3 | Confident | 85.8 | Confident | 125 Ų | 125 | 67.5 Ų | 67.5 | 67% | 0.668 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | 10.7 | -178.7 | -54.1 | -47.6 | 0 | 0 | 0 | 113.1 | T178 E182 | T178-D180 PolarHBondContact O-N 2.77Å; T178-D180 PolarHBondContact OG1-N 2.89Å; D180-E182 VanDerWaalsContact C-N 3.32Å; D180-E182 PolarHBondContact O-N 2.88Å |
| 181 | R | 85.7 | Confident | 85.6 | Confident | 211 Ų | 211 | 70.4 Ų | 70.4 | 80% | 0.796 | 37% | 0.371 | S | S | * | . | S | Bend | trans | 63.5 | 31.2 | -178.8 | -54.8 | -174.1 | 173.7 | -167.5 | -0.6 | 114.4 | L177 T178 Q179 | L177-R181 HydrophobicContact CD1-CB 4.24Å; T178-R181 PolarHBondContact O-N 3.21Å; Q179-R181 PolarHBondContact O-N 3.45Å |
| 182 | E | 86.4 | Confident | 85 | Confident | 112 Ų | 112 | 68 Ų | 68 | 52% | 0.523 | 37% | 0.366 | S | S | . | . | trans | -102 | 157.1 | 174.7 | -59.7 | -170.4 | 161.5 | 0 | 0 | 111.4 | L177 T178 D180 | L177-E182 CarbonylContact C-O 3.53Å; L177-E182 VanDerWaalsContact CA-O 3.28Å; L177-E182 WeakPolarHBondContact CA-O 3.39Å; T178-E182 WeakPolarHBondContact CG2-O 3.43Å; T178-E182 PolarHBondContact N-O 2.84Å; T178-E182 PolarHBondContact OG1-N 2.88Å; T178-E182 PolarHBondContact OG1-O 2.76Å; D180-E182 VanDerWaalsContact C-N 3.32Å; D180-E182 PolarHBondContact O-N 2.88Å | ||
| 183 | S | 85.4 | Confident | 84.9 | Confident | 66 Ų | 66 | 72.5 Ų | 72.5 | 46% | 0.462 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -84.2 | -20.8 | 176 | 54.1 | 0 | 0 | 0 | 0 | 112.9 | C172 | C172-S183 PolarHBondContact N-O 3.42Š|
| 184 | T | 90.4 | Very high | 84.7 | Confident | 53 Ų | 53 | 66.9 Ų | 66.9 | 33% | 0.325 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 159.1 | 179.1 | 56.1 | 0 | 0 | 0 | 0 | 110.7 | Y170 Q171 | Y170-T184 CarbonylContact O-C 3.59Å; Y170-T184 WeakPolarHBondContact O-CA 3.33Å; Q171-T184 HydrophobicContact CB-CG2 4.14Å; Q171-T184 HydrophobicContact CG-CG2 4.2Å |
| 185 | T | 87.3 | Confident | 84.6 | Confident | 28 Ų | 28 | 64.7 Ų | 64.7 | 17% | 0.172 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.2 | 161.4 | 175.5 | -176.5 | 0 | 0 | 0 | 0 | 110 | T169 Y170 T178 P198 | T169-T185 WeakPolarHBondContact CA-O 2.97Å; Y170-T185 PolarHBondContact N-O 2.68Å; Y170-T185 PolarHBondContact O-N 3.38Å; T178-T185 HydrophobicContact CG2-CG2 3.68Å; T185-P198 HydrophobicContact CG2-CB 3.3Å; T185-P198 HydrophobicContact CG2-CG 3.39Å |
| 186 | T | 87.7 | Confident | 84.5 | Confident | 74 Ų | 74 | 64.8 Ų | 64.8 | 45% | 0.454 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 136.1 | -173.2 | -55.5 | 0 | 0 | 0 | 0 | 109.7 | T167 V168 | T167-T186 VanDerWaalsContact CB-CG2 3.48Å; T167-T186 HydrophobicContact CG2-CG2 3.97Å; V168-T186 CarbonylContact O-C 3.51Å; V168-T186 WeakPolarHBondContact O-CA 3.19Å |
| 187 | V | 86.2 | Confident | 84.2 | Confident | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.006 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 149.6 | 172.3 | -49.2 | 0 | 0 | 0 | 0 | 109.2 | T167 V168 Y170 W194 F195 G196 | T167-V187 CarbonylContact C-O 3.47Å; T167-V187 WeakPolarHBondContact CA-O 2.99Å; V168-V187 HydrophobicContact CB-CG2 4.38Å; V168-V187 HydrophobicContact CG2-CG2 3.23Å; V168-V187 PolarHBondContact N-O 3.42Å; V168-V187 PolarHBondContact O-N 3.01Å; Y170-V187 HydrophobicContact CD2-CG1 3.9Å; Y170-V187 HydrophobicContact CD2-CG2 4.18Å; Y170-V187 HydrophobicContact CE2-CB 4.45Å; Y170-V187 HydrophobicContact CE2-CG1 3.86Å; Y170-V187 HydrophobicContact CE2-CG2 3.63Å; V187-W194 HydrophobicContact CB-CE3 4.48Å; V187-W194 HydrophobicContact CG2-CE3 3.65Å; V187-W194 HydrophobicContact CG2-CZ3 4.01Å; V187-F195 CarbonylContact C-O 3.52Å; V187-F195 VanDerWaalsContact CA-O 3.25Å; V187-F195 WeakPolarHBondContact CA-O 3.46Å; V187-F195 WeakPolarHBondContact CB-O 3.42Å; V187-G196 WeakPolarHBondContact CG1-O 3.32Å |
| 188 | S | 86.3 | Confident | 84 | Confident | 28 Ų | 28 | 64.7 Ų | 64.7 | 20% | 0.196 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 141.3 | -178.9 | 51.6 | 0 | 0 | 0 | 0 | 111.5 | E190 W194 F195 | S188-E190 WeakPolarHBondContact CB-OE1 3.43Å; S188-E190 PolarHBondContact OG-OE1 2.78Å; S188-W194 CarbonylContact O-C 3.55Å; S188-W194 WeakPolarHBondContact O-CA 3.18Å; S188-F195 PolarHBondContact N-O 2.76Å; S188-F195 PolarHBondContact O-N 2.93Å |
| 189 | C | 84.6 | Confident | 84 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 119.5 | 167.1 | 171.6 | 0 | 0 | 0 | 0 | 108.8 | C143 Y165 S166 W194 | C143-C189 HydrophobicContact CB-CB 3.82Å; C143-C189 WeakPolarHBondContact CB-SG 3.44Å; C143-C189 PolarHBondContact N-SG 3.5Å; C143-C189 WeakPolarHBondContact SG-CA 3.41Å; C143-C189 WeakPolarHBondContact SG-CB 3.39Å; C143-C189 CovalentContact SG-SG 2.03Å; C143-C189 PolarHBondContact SG-SG 2.93Å; Y165-C189 WeakPolarHBondContact CA-O 3.47Å; Y165-C189 PolarHBondContact N-O 3.38Å; S166-C189 PolarHBondContact O-N 3.2Å; C189-W194 HydrophobicContact CB-CD2 4.47Å; C189-W194 HydrophobicContact CB-CE3 4.03Å; C189-W194 HydrophobicContact CB-CH2 3.8Å; C189-W194 HydrophobicContact CB-CZ2 4.26Å; C189-W194 HydrophobicContact CB-CZ3 3.68Å |
| 190 | E | 83.8 | Confident | 84 | Confident | 81 Ų | 81 | 67 Ų | 67 | 38% | 0.379 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 124.2 | 178.1 | -58.4 | 174.3 | -150.3 | 0 | 0 | 109.6 | Y165 S188 G192 N193 F195 | Y165-E190 HydrophobicContact CD1-CG 4.41Å; S188-E190 WeakPolarHBondContact CB-OE1 3.43Å; S188-E190 PolarHBondContact OG-OE1 2.78Å; E190-G192 PolarHBondContact O-N 3.28Å; E190-G192 VanDerWaalsContact O-N 3.11Å; E190-N193 PolarHBondContact N-O 2.73Å; E190-N193 PolarHBondContact O-N 2.82Å; E190-F195 HydrophobicContact CB-CD2 3.66Å; E190-F195 HydrophobicContact CB-CE2 3.71Å; E190-F195 HydrophobicContact CG-CD2 4.12Å; E190-F195 WeakPolarHBondContact O-CE2 3.48Å |
| 191 | A | 82.4 | Confident | 84.2 | Confident | 65 Ų | 65 | 64.9 Ų | 64.9 | 54% | 0.537 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.7 | 45 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | N193 | A191-N193 VanDerWaalsContact C-N 3.33Å; A191-N193 PolarHBondContact O-N 2.92Å; A191-N193 PolarHBondContact O-ND2 2.01Å; A191-N193 VanDerWaalsContact O-ND2 3.15Å |
| 192 | G | 75.9 | Confident | 84.1 | Confident | 24 Ų | 24 | 63.6 Ų | 63.6 | 25% | 0.247 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | 4.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | K141 A142 E190 | K141-G192 PolarHBondContact O-N 3.29Å; A142-G192 WeakPolarHBondContact O-CA 3.08Å; E190-G192 PolarHBondContact O-N 3.28Å; E190-G192 VanDerWaalsContact O-N 3.11Å |
| 193 | N | 81.6 | Confident | 83.6 | Confident | 100 Ų | 100 | 62 Ų | 62 | 54% | 0.535 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 148.3 | -179.7 | -63.3 | -83.6 | 0 | 0 | 0 | 112 | C143 E190 A191 F195 | C143-N193 PolarHBondContact SG-N 2.59Å; C143-N193 VanDerWaalsContact SG-N 3.39Å; C143-N193 PolarHBondContact SG-O 3.39Å; E190-N193 PolarHBondContact N-O 2.73Å; E190-N193 PolarHBondContact O-N 2.82Å; A191-N193 VanDerWaalsContact C-N 3.33Å; A191-N193 PolarHBondContact O-N 2.92Å; A191-N193 PolarHBondContact O-ND2 2.01Å; A191-N193 VanDerWaalsContact O-ND2 3.15Å; N193-F195 HydrophobicContact CB-CD2 4.42Å; N193-F195 HydrophobicContact CB-CE2 3.66Å; N193-F195 HydrophobicContact CB-CZ 4.1Å; N193-F195 VanDerWaalsContact O-CD2 3.31Å; N193-F195 WeakPolarHBondContact O-CD2 3.39Å |
| 194 | W | 82.8 | Confident | 82.8 | Confident | 42 Ų | 42 | 63.7 Ų | 63.7 | 16% | 0.159 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 128.5 | 175.2 | -71.2 | 105.7 | 0 | 0 | 0 | 111.8 | C143 D144 Q145 P146 P147 F162 V168 V187 S188 C189 T197 | C143-W194 HydrophobicContact CB-CD2 4.29Å; C143-W194 HydrophobicContact CB-CZ2 3.73Å; D144-W194 WeakPolarHBondContact O-CZ2 3.46Å; D144-W194 PolarHBondContact O-NE1 2.77Å; Q145-W194 PolarHBondContact O-NE1 3.26Å; P146-W194 HydrophobicContact CB-CD2 4.33Å; P146-W194 HydrophobicContact CB-CZ2 4.25Å; P146-W194 HydrophobicContact CG-CD2 4.46Å; P146-W194 HydrophobicContact CG-CH2 3.94Å; P146-W194 HydrophobicContact CG-CZ2 3.53Å; P147-W194 HydrophobicContact CG-CB 4.49Å; F162-W194 HydrophobicContact CB-CH2 3.71Å; F162-W194 HydrophobicContact CB-CZ2 3.67Å; F162-W194 AromaticContact CD1-CH2 3.84Å; F162-W194 HydrophobicContact CD1-CH2 3.84Å; F162-W194 HydrophobicContact CD1-CZ2 4.23Å; F162-W194 HydrophobicContact CD2-CH2 4.04Å; F162-W194 AromaticContact CD2-CZ2 3.56Å; F162-W194 HydrophobicContact CD2-CZ2 3.56Å; F162-W194 HydrophobicContact CE1-CH2 4.49Å; F162-W194 HydrophobicContact CE2-CZ2 4.25Å; F162-W194 AromaticContact CG-CH2 3.57Å; F162-W194 HydrophobicContact CG-CH2 3.57Å; F162-W194 AromaticContact CG-CZ2 3.54Å; F162-W194 HydrophobicContact CG-CZ2 3.54Å; V168-W194 HydrophobicContact CG1-CH2 3.5Å; V168-W194 HydrophobicContact CG1-CZ2 4.4Å; V168-W194 HydrophobicContact CG1-CZ3 3.82Å; V168-W194 HydrophobicContact CG2-CH2 4.43Å; V168-W194 HydrophobicContact CG2-CZ3 4.16Å; V187-W194 HydrophobicContact CB-CE3 4.48Å; V187-W194 HydrophobicContact CG2-CE3 3.65Å; V187-W194 HydrophobicContact CG2-CZ3 4.01Å; S188-W194 CarbonylContact O-C 3.55Å; S188-W194 WeakPolarHBondContact O-CA 3.18Å; C189-W194 HydrophobicContact CB-CD2 4.47Å; C189-W194 HydrophobicContact CB-CE3 4.03Å; C189-W194 HydrophobicContact CB-CH2 3.8Å; C189-W194 HydrophobicContact CB-CZ2 4.26Å; C189-W194 HydrophobicContact CB-CZ3 3.68Å; W194-T197 HydrophobicContact CB-CG2 4.46Å |
| 195 | F | 81.6 | Confident | 81.2 | Confident | 100 Ų | 100 | 72.4 Ų | 72.4 | 44% | 0.439 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 149.3 | -180 | -68.1 | -91.4 | 0 | 0 | 0 | 111.9 | V187 S188 E190 N193 | V187-F195 CarbonylContact C-O 3.52Å; V187-F195 VanDerWaalsContact CA-O 3.25Å; V187-F195 WeakPolarHBondContact CA-O 3.46Å; V187-F195 WeakPolarHBondContact CB-O 3.42Å; S188-F195 PolarHBondContact N-O 2.76Å; S188-F195 PolarHBondContact O-N 2.93Å; E190-F195 HydrophobicContact CB-CD2 3.66Å; E190-F195 HydrophobicContact CB-CE2 3.71Å; E190-F195 HydrophobicContact CG-CD2 4.12Å; E190-F195 WeakPolarHBondContact O-CE2 3.48Å; N193-F195 HydrophobicContact CB-CD2 4.42Å; N193-F195 HydrophobicContact CB-CE2 3.66Å; N193-F195 HydrophobicContact CB-CZ 4.1Å; N193-F195 VanDerWaalsContact O-CD2 3.31Å; N193-F195 WeakPolarHBondContact O-CD2 3.39Å |
| 196 | G | 79.5 | Confident | 79.8 | Confident | 55 Ų | 55 | 77.6 Ų | 77.6 | 57% | 0.567 | 43% | 0.43 | S | S | * | . | trans | 83.3 | 15.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | V187 P198 | V187-G196 WeakPolarHBondContact CG1-O 3.32Å; G196-P198 WeakPolarHBondContact O-CD 3.42Å; G196-P198 VanDerWaalsContact O-N 3.16Å | ||
| 197 | T | 80.8 | Confident | 78.2 | Confident | 69 Ų | 69 | 77.6 Ų | 77.6 | 42% | 0.423 | 45% | 0.445 | S | S | . | . | trans | -53.1 | 119.7 | -178.5 | 58.3 | 0 | 0 | 0 | 0 | 112.3 | P147 W194 | P147-T197 HydrophobicContact CG-CG2 3.47Å; P147-T197 VanDerWaalsContact CG-CG2 3.47Å; W194-T197 HydrophobicContact CB-CG2 4.46Å | ||
| 198 | P | 80.9 | Confident | 76.1 | Confident | 8 Ų | 8 | 82.1 Ų | 82.1 | 5% | 0.052 | 48% | 0.477 | C | S | . | . | trans | -84.6 | 162.5 | -168.9 | 34.4 | -40.2 | 0 | 0 | 0 | 113.1 | V149 Y170 T185 G196 | V149-P198 HydrophobicContact CG1-CG 4.32Å; V149-P198 WeakPolarHBondContact CG1-O 3.33Å; V149-P198 HydrophobicContact CG2-CG 4.29Å; Y170-P198 HydrophobicContact CG-CG 4.27Å; T185-P198 HydrophobicContact CG2-CB 3.3Å; T185-P198 HydrophobicContact CG2-CG 3.39Å; G196-P198 WeakPolarHBondContact O-CD 3.42Å; G196-P198 VanDerWaalsContact O-N 3.16Å | ||
| 199 | R | 86.8 | Confident | 74.5 | Confident | 154 Ų | 154 | 88.2 Ų | 88.2 | 58% | 0.581 | 51% | 0.513 | S | S | * | . | trans | -117.2 | 105.4 | 168.6 | -68 | -177.7 | 169.8 | -177 | -5.4 | 109.7 | Q179 T201 E236 | Q179-R199 VanDerWaalsContact OE1-N 3.11Å; R199-T201 PolarHBondContact O-N 3.03Å; R199-E236 IonicContact NH2-OE2 3.5Å; R199-E236 PolarHBondContact NH2-OE2 2.77Å | ||
| 200 | C | 82.9 | Confident | 72.4 | Confident | 10 Ų | 10 | 93.7 Ų | 93.7 | 7% | 0.068 | 54% | 0.542 | C | S | . | . | trans | -79.1 | 116.2 | 174.2 | -64.7 | 0 | 0 | 0 | 0 | 110.3 | N151 C172 F176 L177 | N151-C200 HydrophobicContact CB-CB 4.4Å; C172-C200 VanDerWaalsContact CA-SG 3.53Å; C172-C200 HydrophobicContact CB-CB 3.79Å; C172-C200 WeakPolarHBondContact CB-SG 3.36Å; C172-C200 WeakPolarHBondContact SG-CB 3.09Å; C172-C200 CovalentContact SG-SG 2.04Å; C172-C200 PolarHBondContact SG-SG 2.96Å; F176-C200 HydrophobicContact CB-CB 4.03Å; F176-C200 WeakPolarHBondContact CD1-O 3.42Å; L177-C200 CarbonylContact O-C 3.6Å; L177-C200 WeakPolarHBondContact O-CA 3.3Å | ||
| 201 | T | 88.6 | Confident | 70.4 | Confident | 82 Ų | 82 | 95 Ų | 95 | 50% | 0.503 | 56% | 0.556 | S | S | . | * | B | Isolated β-bridge | trans | -130.9 | 153.9 | -178.2 | 61.9 | 0 | 0 | 0 | 0 | 111.7 | F176 L177 R199 | F176-T201 CarbonylContact C-O 3.58Å; F176-T201 WeakPolarHBondContact CA-O 3.37Å; L177-T201 PolarHBondContact N-O 3.05Å; L177-T201 PolarHBondContact O-N 3.25Å; R199-T201 PolarHBondContact O-N 3.03Å |
| 202 | R | 85.3 | Confident | 68.8 | Low | 183 Ų | 183 | 100.8 Ų | 100.8 | 69% | 0.691 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 137 | 175.4 | -72.4 | -174.8 | 171.1 | 152.7 | -3.2 | 110.1 | G175 F176 A204 | G175-R202 WeakPolarHBondContact O-CG 3.38Å; F176-R202 HydrophobicContact CD1-CG 4.02Å; F176-R202 HydrophobicContact CD2-CG 4.37Å; F176-R202 HydrophobicContact CE1-CG 3.81Å; F176-R202 HydrophobicContact CE2-CG 4.18Å; F176-R202 HydrophobicContact CG-CG 4.29Å; F176-R202 HydrophobicContact CZ-CG 3.9Å; R202-A204 PolarHBondContact O-N 3.12Å |
| 203 | P | 75.9 | Confident | 67.3 | Low | 80 Ų | 80 | 105.1 Ų | 105.1 | 52% | 0.519 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -57.3 | 133.1 | 170.2 | -20.5 | 31.1 | 0 | 0 | 0 | 110.5 | G175 L177 R205 | G175-P203 WeakPolarHBondContact O-CD 3.24Å; L177-P203 HydrophobicContact CD1-CG 3.77Å; L177-P203 HydrophobicContact CG-CG 4.22Å; P203-R205 PolarHBondContact O-N 3.04Å |
| 204 | A | 66.8 | Low | 65.3 | Low | 101 Ų | 101 | 105.3 Ų | 105.3 | 84% | 0.835 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 130.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | R202 S206 | R202-A204 PolarHBondContact O-N 3.12Å; A204-S206 PolarHBondContact O-N 3.09Å |
| 205 | R | 58.3 | Low | 63.3 | Low | 236 Ų | 236 | 113.3 Ų | 113.3 | 89% | 0.891 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 116.2 | 174.7 | -69.6 | -176.9 | 177.2 | -172.6 | -1.8 | 108.2 | P203 G207 | P203-R205 PolarHBondContact O-N 3.04Å; R205-G207 PolarHBondContact O-N 2.9Å |
| 206 | S | 56.6 | Low | 61.4 | Low | 136 Ų | 136 | 113.9 Ų | 113.9 | 95% | 0.951 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -63.9 | 106.7 | 165.4 | -112.4 | 0 | 0 | 0 | 0 | 107.7 | A204 | A204-S206 PolarHBondContact O-N 3.09Š|
| 207 | G | 54.5 | Low | 59.8 | Low | 75 Ų | 75 | 113.7 Ų | 113.7 | 77% | 0.773 | 64% | 0.637 | S | S | * | * | trans | 132.3 | 57 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114 | R205 | R205-G207 PolarHBondContact O-N 2.9Š| ||
| 208 | S | 41.6 | Very low | 58.4 | Low | 96 Ų | 96 | 112.5 Ų | 112.5 | 67% | 0.671 | 63% | 0.627 | S | S | * | * | trans | -142.6 | 101.2 | 145 | 64.7 | 0 | 0 | 0 | 0 | 107.5 | D210 | S208-D210 PolarHBondContact O-N 2.97Š| ||
| 209 | T | 52.8 | Low | 57.1 | Low | 155 Ų | 155 | 118.2 Ų | 118.2 | 95% | 0.951 | 66% | 0.657 | S | S | * | * | trans | -59.6 | 87.4 | 145.3 | 37.9 | 0 | 0 | 0 | 0 | 106 | ||||
| 210 | D | 41.1 | Very low | 55.9 | Low | 115 Ų | 115 | 117.7 Ų | 117.7 | 62% | 0.615 | 66% | 0.661 | S | S | * | * | trans | -125.8 | 107.1 | 164.3 | -156.1 | -3.9 | 0 | 0 | 0 | 106.7 | S208 | S208-D210 PolarHBondContact O-N 2.97Š| ||
| 211 | T | 40.9 | Very low | 55.3 | Low | 108 Ų | 108 | 118 Ų | 118 | 66% | 0.663 | 66% | 0.663 | S | S | * | * | trans | 20.3 | 116.7 | 147.3 | -22 | 0 | 0 | 0 | 0 | 114.9 | T213 | T211-T213 PolarHBondContact O-N 2.99Å; T211-T213 PolarHBondContact O-OG1 2.81Å; T211-T213 VanDerWaalsContact O-OG1 3.1Å | ||
| 212 | Q | 49.9 | Very low | 54.3 | Low | 187 Ų | 187 | 117.1 Ų | 117.1 | 87% | 0.874 | 67% | 0.671 | S | S | * | * | trans | -25.2 | 84.8 | 161.7 | -163.6 | 168.5 | 24.1 | 0 | 0 | 111.3 | T214 | Q212-T214 VanDerWaalsContact C-N 3.28Å; Q212-T214 PolarHBondContact O-N 3.19Å | ||
| 213 | T | 44 | Very low | 53.9 | Low | 115 Ų | 115 | 117.1 Ų | 117.1 | 71% | 0.706 | 68% | 0.678 | S | S | * | * | trans | -82.5 | 97.4 | 172.5 | -17.7 | 0 | 0 | 0 | 0 | 101.7 | T211 F215 | T211-T213 PolarHBondContact O-N 2.99Å; T211-T213 PolarHBondContact O-OG1 2.81Å; T211-T213 VanDerWaalsContact O-OG1 3.1Å; T213-F215 PolarHBondContact O-N 3.4Å | ||
| 214 | T | 40.1 | Very low | 54.2 | Low | 105 Ų | 105 | 116.3 Ų | 116.3 | 64% | 0.644 | 67% | 0.669 | S | S | * | * | trans | -35.9 | 115.9 | 165.5 | 46.7 | 0 | 0 | 0 | 0 | 108 | Q212 V216 | Q212-T214 VanDerWaalsContact C-N 3.28Å; Q212-T214 PolarHBondContact O-N 3.19Å; T214-V216 PolarHBondContact O-N 3.46Å | ||
| 215 | F | 39.8 | Very low | 55 | Low | 210 Ų | 210 | 112.6 Ų | 112.6 | 92% | 0.921 | 64% | 0.637 | S | S | * | * | trans | -58.8 | 95.6 | 164.2 | -72.8 | -92.9 | 0 | 0 | 0 | 105.7 | T213 S217 | T213-F215 PolarHBondContact O-N 3.4Å; F215-S217 VanDerWaalsContact C-N 3.34Å; F215-S217 PolarHBondContact O-N 2.78Å | ||
| 216 | V | 42.3 | Very low | 56.4 | Low | 111 Ų | 111 | 109 Ų | 109 | 67% | 0.673 | 63% | 0.63 | S | S | * | * | trans | -67.9 | 105.4 | 165.1 | -179.4 | 0 | 0 | 0 | 0 | 103.9 | T214 I218 | T214-V216 PolarHBondContact O-N 3.46Å; V216-I218 PolarHBondContact O-N 2.85Å | ||
| 217 | S | 46.3 | Very low | 57.9 | Low | 52 Ų | 52 | 102.7 Ų | 102.7 | 36% | 0.364 | 59% | 0.585 | S | S | . | * | trans | -59.8 | 132.1 | 175.8 | 86.2 | 0 | 0 | 0 | 0 | 107.8 | F215 D219 | F215-S217 VanDerWaalsContact C-N 3.34Å; F215-S217 PolarHBondContact O-N 2.78Å; S217-D219 WeakPolarHBondContact CB-OD2 3.28Å; S217-D219 PolarHBondContact O-N 2.85Å; S217-D219 WeakPolarHBondContact OG-CB 3.25Å; S217-D219 PolarHBondContact OG-OD2 2.94Å | ||
| 218 | I | 51.6 | Low | 59.4 | Low | 43 Ų | 43 | 103 Ų | 103 | 22% | 0.221 | 57% | 0.573 | C | S | . | * | S | Bend | trans | -82.9 | 45.4 | 177.9 | -61.1 | 163.5 | 0 | 0 | 0 | 107.7 | V216 H220 R238 C258 R260 | V216-I218 PolarHBondContact O-N 2.85Å; I218-H220 VanDerWaalsContact C-N 3.3Å; I218-R238 HydrophobicContact CD1-CG 4.37Å; I218-C258 HydrophobicContact CG2-CB 4.19Å; I218-C258 WeakPolarHBondContact CG2-SG 3.49Å; I218-R260 HydrophobicContact CD1-CG 4.22Å |
| 219 | D | 53 | Low | 61.6 | Low | 128 Ų | 128 | 101.2 Ų | 101.2 | 68% | 0.684 | 56% | 0.557 | S | S | * | * | trans | -91 | 7.6 | -176.1 | -61.5 | -21.9 | 0 | 0 | 0 | 112.3 | S217 | S217-D219 WeakPolarHBondContact CB-OD2 3.28Å; S217-D219 PolarHBondContact O-N 2.85Å; S217-D219 WeakPolarHBondContact OG-CB 3.25Å; S217-D219 PolarHBondContact OG-OD2 2.94Å | ||
| 220 | H | 62.7 | Low | 63.3 | Low | 143 Ų | 143 | 94.2 Ų | 94.2 | 66% | 0.662 | 52% | 0.515 | S | S | * | . | trans | -114.2 | 19.5 | -168.2 | -61.6 | 92 | 0 | 0 | 0 | 115 | I218 G222 | I218-H220 VanDerWaalsContact C-N 3.3Å; H220-G222 PolarHBondContact O-N 3.03Å; H220-G222 VanDerWaalsContact O-N 3.07Å | ||
| 221 | C | 68.8 | Low | 65.4 | Low | 16 Ų | 16 | 93.2 Ų | 93.2 | 11% | 0.108 | 51% | 0.509 | C | S | . | . | S | Bend | trans | -71.7 | 5.9 | 174.3 | -83.7 | 0 | 0 | 0 | 0 | 114.6 | C258 W264 | C221-C258 HydrophobicContact CB-CB 3.8Å; C221-C258 WeakPolarHBondContact CB-SG 3.46Å; C221-C258 WeakPolarHBondContact SG-CA 3.45Å; C221-C258 WeakPolarHBondContact SG-CB 3.13Å; C221-C258 CovalentContact SG-SG 1.99Å; C221-C258 PolarHBondContact SG-SG 2.8Å; C221-W264 HydrophobicContact CB-CD2 4.05Å; C221-W264 HydrophobicContact CB-CH2 4.29Å; C221-W264 HydrophobicContact CB-CZ2 3.68Å; C221-W264 PolarHBondContact O-NE1 2.85Å |
| 222 | G | 67.8 | Low | 67.5 | Low | 65 Ų | 65 | 91.4 Ų | 91.4 | 67% | 0.67 | 50% | 0.499 | S | S | * | . | trans | 64.8 | -155.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | H220 | H220-G222 PolarHBondContact O-N 3.03Å; H220-G222 VanDerWaalsContact O-N 3.07Å | ||
| 223 | E | 77 | Confident | 69.3 | Low | 182 Ų | 182 | 86.8 Ų | 86.8 | 85% | 0.85 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -67 | 150.9 | 179.6 | -65.2 | -177.8 | 176.1 | 0 | 0 | 112.1 | W264 | E223-W264 PolarHBondContact O-NE1 3.44Š|
| 224 | I | 81.7 | Confident | 71 | Confident | 63 Ų | 63 | 84.8 Ų | 84.8 | 32% | 0.323 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 130.9 | 176.1 | -65.5 | 173.7 | 0 | 0 | 0 | 108.9 | H226 V240 Y242 | I224-H226 PolarHBondContact O-N 2.88Å; I224-V240 HydrophobicContact CD1-CG2 4.5Å; I224-V240 HydrophobicContact CG1-CG2 4.33Å; I224-V240 HydrophobicContact CG2-CG1 4.15Å; I224-V240 HydrophobicContact CG2-CG2 4.24Å; I224-Y242 WeakPolarHBondContact CG2-OH 3.41Å |
| 225 | P | 85.2 | Confident | 72.7 | Confident | 24 Ų | 24 | 86 Ų | 86 | 16% | 0.156 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 128.6 | -176.8 | -26.7 | 36.5 | 0 | 0 | 0 | 112.1 | V227 Y242 V256 W264 V267 | P225-V227 PolarHBondContact O-N 2.82Å; P225-Y242 WeakPolarHBondContact CD-OH 2.97Å; P225-Y242 WeakPolarHBondContact O-CE1 3.01Å; P225-Y242 PolarHBondContact O-OH 3.07Å; P225-V256 HydrophobicContact CG-CG1 4.37Å; P225-W264 HydrophobicContact CG-CB 3.89Å; P225-W264 VanDerWaalsContact CG-CD1 3.4Å; P225-W264 HydrophobicContact CG-CD2 3.92Å; P225-W264 HydrophobicContact CG-CG 3.45Å; P225-W264 VanDerWaalsContact CG-CG 3.45Å; P225-V267 HydrophobicContact CB-CG1 4.1Å; P225-V267 HydrophobicContact CB-CG2 3.72Å; P225-V267 HydrophobicContact CG-CG2 4Å |
| 226 | H | 87.4 | Confident | 74.3 | Confident | 161 Ų | 161 | 79.4 Ų | 79.4 | 75% | 0.745 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -72.6 | 124.8 | 173.3 | 176.2 | -104.2 | 0 | 0 | 0 | 110.2 | I224 | I224-H226 PolarHBondContact O-N 2.88Š|
| 227 | V | 88.1 | Confident | 75.5 | Confident | 2 Ų | 2 | 83 Ų | 83 | 1% | 0.012 | 45% | 0.446 | C | S | . | . | trans | -109.9 | 109.7 | 174.2 | -179.2 | 0 | 0 | 0 | 0 | 108.2 | P225 N229 G230 Y242 V267 P268 | P225-V227 PolarHBondContact O-N 2.82Å; V227-N229 PolarHBondContact O-N 3.09Å; V227-G230 CarbonylContact O-C 3.52Å; V227-G230 WeakPolarHBondContact O-CA 3.32Å; V227-G230 PolarHBondContact O-N 3.29Å; V227-Y242 HydrophobicContact CB-CD1 3.86Å; V227-Y242 HydrophobicContact CB-CE1 4.03Å; V227-Y242 HydrophobicContact CG2-CD1 3.5Å; V227-Y242 HydrophobicContact CG2-CD2 4.41Å; V227-Y242 HydrophobicContact CG2-CE1 3.45Å; V227-Y242 VanDerWaalsContact CG2-CE1 3.45Å; V227-Y242 HydrophobicContact CG2-CE2 4.4Å; V227-Y242 HydrophobicContact CG2-CG 3.98Å; V227-V267 HydrophobicContact CG2-CG1 3.36Å; V227-P268 WeakPolarHBondContact CG1-O 3.18Å; V227-P268 HydrophobicContact CG2-CG 4.46Å | ||
| 228 | P | 86.1 | Confident | 76.9 | Confident | 81 Ų | 81 | 87.7 Ų | 87.7 | 53% | 0.526 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 132 | 175.2 | -25 | 34.2 | 0 | 0 | 0 | 111.2 | G230 C270 | P228-G230 PolarHBondContact O-N 3.17Å; P228-G230 VanDerWaalsContact O-N 3.13Å; P228-C270 WeakPolarHBondContact O-CB 3.04Å |
| 229 | N | 87.8 | Confident | 78.4 | Confident | 60 Ų | 60 | 88 Ų | 88 | 32% | 0.321 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 19.4 | -173.9 | -51.1 | -48.8 | 0 | 0 | 0 | 114.3 | V227 C244 Q245 Y248 C270 | V227-N229 PolarHBondContact O-N 3.09Å; N229-C244 CarbonylContact O-C 3.48Å; N229-C244 WeakPolarHBondContact O-CA 3.42Å; N229-Q245 WeakPolarHBondContact O-CB 3.29Å; N229-Q245 WeakPolarHBondContact O-CG 3.41Å; N229-Q245 PolarHBondContact O-N 2.79Å; N229-Y248 HydrophobicContact CB-CD1 3.86Å; N229-Y248 HydrophobicContact CB-CD2 3.91Å; N229-Y248 HydrophobicContact CB-CE1 3.92Å; N229-Y248 HydrophobicContact CB-CE2 3.97Å; N229-Y248 HydrophobicContact CB-CG 3.86Å; N229-Y248 VanDerWaalsContact CG-CZ 3.48Å; N229-Y248 WeakPolarHBondContact ND2-CE1 3.44Å; N229-Y248 VanDerWaalsContact ND2-CZ 3.28Å; N229-Y248 PolarHBondContact ND2-OH 3Å; N229-C270 HydrophobicContact CB-CB 4.11Å; N229-C270 PolarHBondContact O-SG 3.49Å; N229-C270 VanDerWaalsContact O-SG 3.41Å |
| 230 | G | 86.7 | Confident | 79.9 | Confident | 8 Ų | 8 | 82 Ų | 82 | 8% | 0.082 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 148.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V227 P228 K243 | V227-G230 CarbonylContact O-C 3.52Å; V227-G230 WeakPolarHBondContact O-CA 3.32Å; V227-G230 PolarHBondContact O-N 3.29Å; P228-G230 PolarHBondContact O-N 3.17Å; P228-G230 VanDerWaalsContact O-N 3.13Å; G230-K243 CarbonylContact C-O 3.57Å; G230-K243 WeakPolarHBondContact CA-O 3.3Å |
| 231 | L | 85.4 | Confident | 81.1 | Confident | 94 Ų | 94 | 77.8 Ų | 77.8 | 49% | 0.492 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 138.1 | -180 | -64.9 | 168.2 | 0 | 0 | 0 | 109.6 | V233 Y242 K243 Q245 | L231-V233 PolarHBondContact O-N 3.2Å; L231-Y242 WeakPolarHBondContact O-CA 3Å; L231-K243 PolarHBondContact N-O 3.03Å; L231-K243 PolarHBondContact O-N 2.84Å; L231-Q245 HydrophobicContact CD1-CG 4.07Å; L231-Q245 HydrophobicContact CG-CG 4.25Å |
| 232 | P | 85.1 | Confident | 82 | Confident | 70 Ų | 70 | 77.2 Ų | 77.2 | 46% | 0.455 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 124.1 | 172.3 | 29.5 | -32.3 | 0 | 0 | 0 | 109.2 | V240 K241 Y242 | P232-V240 HydrophobicContact CB-CG1 3.66Å; P232-K241 CarbonylContact C-O 3.47Å; P232-K241 WeakPolarHBondContact CA-O 3.44Å; P232-Y242 HydrophobicContact CB-CE1 4.25Å |
| 233 | V | 88.3 | Confident | 83 | Confident | 89 Ų | 89 | 80.8 Ų | 80.8 | 54% | 0.539 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | -18.1 | -177.9 | -67.7 | 0 | 0 | 0 | 0 | 113.1 | L231 K241 K243 | L231-V233 PolarHBondContact O-N 3.2Å; V233-K241 HydrophobicContact CG2-CB 4.16Å; V233-K241 PolarHBondContact N-O 3.05Å; V233-K243 HydrophobicContact CB-CB 4.43Å; V233-K243 HydrophobicContact CG1-CB 3.47Å; V233-K243 VanDerWaalsContact CG1-CB 3.47Å; V233-K243 HydrophobicContact CG1-CD 4.33Å; V233-K243 HydrophobicContact CG2-CB 4.08Å |
| 234 | Q | 79 | Confident | 83.7 | Confident | 73 Ų | 73 | 72.9 Ų | 72.9 | 34% | 0.341 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 129.8 | 176.5 | -171.3 | -179.5 | 4 | 0 | 0 | 109.2 | Y239 V240 K241 | Q234-Y239 PolarHBondContact NE2-OH 2.04Å; Q234-V240 CarbonylContact O-C 3.56Å; Q234-V240 WeakPolarHBondContact O-CA 3.4Å; Q234-K241 HydrophobicContact CB-CB 4.08Å; Q234-K241 HydrophobicContact CB-CD 4.41Å; Q234-K241 HydrophobicContact CB-CG 4.35Å; Q234-K241 PolarHBondContact O-N 2.92Å |
| 235 | Q | 76.3 | Confident | 83.8 | Confident | 132 Ų | 132 | 73.9 Ų | 73.9 | 62% | 0.617 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 127.4 | 177.3 | 178.6 | 175.7 | -8.5 | 0 | 0 | 110 | V240 | Q235-V240 HydrophobicContact CG-CG2 4.25Å |
| 236 | E | 74.7 | Confident | 83.7 | Confident | 71 Ų | 71 | 78.8 Ų | 78.8 | 33% | 0.332 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 172.5 | 171.7 | -74.3 | -162.9 | -150.9 | 0 | 0 | 110.6 | R199 R238 Y239 | R199-E236 IonicContact NH2-OE2 3.5Å; R199-E236 PolarHBondContact NH2-OE2 2.77Å; E236-R238 PolarHBondContact O-N 3.27Å; E236-Y239 HydrophobicContact CB-CD1 3.96Å; E236-Y239 HydrophobicContact CB-CE1 3.62Å; E236-Y239 HydrophobicContact CB-CE2 4.44Å; E236-Y239 HydrophobicContact CB-CG 4.5Å; E236-Y239 VanDerWaalsContact CD-CE1 3.47Å; E236-Y239 VanDerWaalsContact CD-CZ 3.44Å; E236-Y239 HydrophobicContact CG-CE1 3.89Å; E236-Y239 HydrophobicContact CG-CE2 4.41Å; E236-Y239 PolarHBondContact N-O 3.42Å; E236-Y239 PolarHBondContact O-N 2.96Å; E236-Y239 PolarHBondContact OE1-OH 2.79Å; E236-Y239 WeakPolarHBondContact OE2-CE1 3.3Å |
| 237 | Q | 67.4 | Low | 83.4 | Confident | 185 Ų | 185 | 74.1 Ų | 74.1 | 86% | 0.864 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -22.2 | -176.9 | -71.3 | -179.5 | -23.4 | 0 | 0 | 115 | ||
| 238 | R | 74 | Confident | 83.3 | Confident | 152 Ų | 152 | 76.9 Ų | 76.9 | 57% | 0.574 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.7 | 1.4 | -176 | -67.5 | -166.7 | -70.2 | 172.3 | -6 | 114.7 | I218 E236 V257 C258 | I218-R238 HydrophobicContact CD1-CG 4.37Å; E236-R238 PolarHBondContact O-N 3.27Å; R238-V257 CarbonylContact O-C 3.51Å; R238-V257 WeakPolarHBondContact O-CA 3.3Å; R238-C258 PolarHBondContact O-N 1.99Å |
| 239 | Y | 83.6 | Confident | 83.5 | Confident | 50 Ų | 50 | 78.7 Ų | 78.7 | 20% | 0.196 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 157.9 | -179.4 | 71.2 | -93.1 | 0 | 0 | 0 | 112.8 | Q234 E236 K241 T255 V256 | Q234-Y239 PolarHBondContact NE2-OH 2.04Å; E236-Y239 HydrophobicContact CB-CD1 3.96Å; E236-Y239 HydrophobicContact CB-CE1 3.62Å; E236-Y239 HydrophobicContact CB-CE2 4.44Å; E236-Y239 HydrophobicContact CB-CG 4.5Å; E236-Y239 VanDerWaalsContact CD-CE1 3.47Å; E236-Y239 VanDerWaalsContact CD-CZ 3.44Å; E236-Y239 HydrophobicContact CG-CE1 3.89Å; E236-Y239 HydrophobicContact CG-CE2 4.41Å; E236-Y239 PolarHBondContact N-O 3.42Å; E236-Y239 PolarHBondContact O-N 2.96Å; E236-Y239 PolarHBondContact OE1-OH 2.79Å; E236-Y239 WeakPolarHBondContact OE2-CE1 3.3Å; Y239-K241 HydrophobicContact CD2-CG 4.2Å; Y239-K241 HydrophobicContact CE2-CG 4.05Å; Y239-T255 HydrophobicContact CD2-CG2 3.49Å; Y239-T255 VanDerWaalsContact CD2-CG2 3.49Å; Y239-T255 HydrophobicContact CE2-CG2 4.29Å; Y239-T255 HydrophobicContact CG-CG2 3.8Å; Y239-V256 CarbonylContact C-O 3.52Å; Y239-V256 WeakPolarHBondContact CA-O 3.23Å; Y239-V256 VanDerWaalsContact CB-O 3.3Å; Y239-V256 WeakPolarHBondContact CB-O 3.28Å |
| 240 | V | 85.2 | Confident | 83.6 | Confident | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 132.5 | 173.6 | -175.5 | 0 | 0 | 0 | 0 | 108.4 | I224 P232 Q234 Q235 Y242 V256 W264 | I224-V240 HydrophobicContact CD1-CG2 4.5Å; I224-V240 HydrophobicContact CG1-CG2 4.33Å; I224-V240 HydrophobicContact CG2-CG1 4.15Å; I224-V240 HydrophobicContact CG2-CG2 4.24Å; P232-V240 HydrophobicContact CB-CG1 3.66Å; Q234-V240 CarbonylContact O-C 3.56Å; Q234-V240 WeakPolarHBondContact O-CA 3.4Å; Q235-V240 HydrophobicContact CG-CG2 4.25Å; V240-Y242 HydrophobicContact CB-CE2 3.89Å; V240-Y242 HydrophobicContact CG1-CD2 4.21Å; V240-Y242 HydrophobicContact CG1-CE2 3.59Å; V240-V256 PolarHBondContact N-O 3.07Å; V240-V256 PolarHBondContact O-N 2.93Å; V240-W264 HydrophobicContact CG2-CH2 3.84Å; V240-W264 HydrophobicContact CG2-CZ3 4.11Å |
| 241 | K | 88.3 | Confident | 83.9 | Confident | 55 Ų | 55 | 80.5 Ų | 80.5 | 24% | 0.239 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 140.8 | 170.3 | -64.7 | -169.4 | -175.1 | 162.7 | 0 | 111 | P232 V233 Q234 Y239 E254 T255 | P232-K241 CarbonylContact C-O 3.47Å; P232-K241 WeakPolarHBondContact CA-O 3.44Å; V233-K241 HydrophobicContact CG2-CB 4.16Å; V233-K241 PolarHBondContact N-O 3.05Å; Q234-K241 HydrophobicContact CB-CB 4.08Å; Q234-K241 HydrophobicContact CB-CD 4.41Å; Q234-K241 HydrophobicContact CB-CG 4.35Å; Q234-K241 PolarHBondContact O-N 2.92Å; Y239-K241 HydrophobicContact CD2-CG 4.2Å; Y239-K241 HydrophobicContact CE2-CG 4.05Å; K241-E254 WeakPolarHBondContact CA-O 3.47Å; K241-T255 HydrophobicContact CG-CG2 4.3Å |
| 242 | Y | 87.3 | Confident | 84 | Confident | 4 Ų | 4 | 78.5 Ų | 78.5 | 2% | 0.016 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 144.4 | 178.9 | -69.3 | -97.7 | 0 | 0 | 0 | 111.3 | I224 P225 V227 L231 P232 V240 L250 E254 V256 P268 | I224-Y242 WeakPolarHBondContact CG2-OH 3.41Å; P225-Y242 WeakPolarHBondContact CD-OH 2.97Å; P225-Y242 WeakPolarHBondContact O-CE1 3.01Å; P225-Y242 PolarHBondContact O-OH 3.07Å; V227-Y242 HydrophobicContact CB-CD1 3.86Å; V227-Y242 HydrophobicContact CB-CE1 4.03Å; V227-Y242 HydrophobicContact CG2-CD1 3.5Å; V227-Y242 HydrophobicContact CG2-CD2 4.41Å; V227-Y242 HydrophobicContact CG2-CE1 3.45Å; V227-Y242 VanDerWaalsContact CG2-CE1 3.45Å; V227-Y242 HydrophobicContact CG2-CE2 4.4Å; V227-Y242 HydrophobicContact CG2-CG 3.98Å; L231-Y242 WeakPolarHBondContact O-CA 3Å; P232-Y242 HydrophobicContact CB-CE1 4.25Å; V240-Y242 HydrophobicContact CB-CE2 3.89Å; V240-Y242 HydrophobicContact CG1-CD2 4.21Å; V240-Y242 HydrophobicContact CG1-CE2 3.59Å; Y242-L250 WeakPolarHBondContact O-CD1 3.45Å; Y242-E254 PolarHBondContact N-O 2.92Å; Y242-E254 VanDerWaalsContact N-O 3.07Å; Y242-V256 HydrophobicContact CD2-CG2 3.78Å; Y242-V256 HydrophobicContact CE2-CB 4.13Å; Y242-V256 HydrophobicContact CE2-CG2 3.62Å; Y242-P268 HydrophobicContact CD2-CG 4.22Å; Y242-P268 HydrophobicContact CG-CG 4.25Å |
| 243 | K | 88.4 | Confident | 84 | Confident | 140 Ų | 140 | 77.1 Ų | 77.1 | 61% | 0.609 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 139.2 | 167 | -171.8 | 177.9 | 177.4 | 178.5 | 0 | 108.5 | G230 L231 V233 | G230-K243 CarbonylContact C-O 3.57Å; G230-K243 WeakPolarHBondContact CA-O 3.3Å; L231-K243 PolarHBondContact N-O 3.03Å; L231-K243 PolarHBondContact O-N 2.84Å; V233-K243 HydrophobicContact CB-CB 4.43Å; V233-K243 HydrophobicContact CG1-CB 3.47Å; V233-K243 VanDerWaalsContact CG1-CB 3.47Å; V233-K243 HydrophobicContact CG1-CD 4.33Å; V233-K243 HydrophobicContact CG2-CB 4.08Å |
| 244 | C | 90.9 | Very high | 83.8 | Confident | 17 Ų | 17 | 78.3 Ų | 78.3 | 12% | 0.115 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 148.6 | 175 | -62.3 | 0 | 0 | 0 | 0 | 111.4 | N229 Y248 L250 C270 | N229-C244 CarbonylContact O-C 3.48Å; N229-C244 WeakPolarHBondContact O-CA 3.42Å; C244-Y248 VanDerWaalsContact CB-O 3.31Å; C244-Y248 WeakPolarHBondContact CB-O 3.14Å; C244-L250 WeakPolarHBondContact SG-CA 3.44Å; C244-L250 PolarHBondContact SG-N 3.38Å; C244-C270 WeakPolarHBondContact CA-SG 3.41Å; C244-C270 HydrophobicContact CB-CB 3.78Å; C244-C270 WeakPolarHBondContact CB-SG 3.08Å; C244-C270 WeakPolarHBondContact SG-CA 3.4Å; C244-C270 WeakPolarHBondContact SG-CB 3.22Å; C244-C270 CovalentContact SG-SG 2.03Å; C244-C270 PolarHBondContact SG-SG 2.99Å |
| 245 | Q | 85.3 | Confident | 84.1 | Confident | 83 Ų | 83 | 77 Ų | 77 | 39% | 0.388 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -62 | 161.7 | 170.3 | -68.6 | 178 | -9.5 | 0 | 0 | 110.3 | N229 L231 F247 Y248 | N229-Q245 WeakPolarHBondContact O-CB 3.29Å; N229-Q245 WeakPolarHBondContact O-CG 3.41Å; N229-Q245 PolarHBondContact O-N 2.79Å; L231-Q245 HydrophobicContact CD1-CG 4.07Å; L231-Q245 HydrophobicContact CG-CG 4.25Å; Q245-F247 PolarHBondContact O-N 2.8Å; Q245-Y248 PolarHBondContact O-N 3.03Å |
| 246 | N | 82.4 | Confident | 84.6 | Confident | 128 Ų | 128 | 70.7 Ų | 70.7 | 68% | 0.684 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | 143 | 179.9 | -75.5 | -14 | 0 | 0 | 0 | 111.2 | Y248 | N246-Y248 WeakPolarHBondContact O-CD2 3.3Å; N246-Y248 PolarHBondContact O-N 2.98Å |
| 247 | F | 81.6 | Confident | 85.1 | Confident | 63 Ų | 63 | 70 Ų | 70 | 28% | 0.276 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | -6 | -175.7 | -50.6 | -78.8 | 0 | 0 | 0 | 115.5 | Q245 D273 F274 F292 R294 | Q245-F247 PolarHBondContact O-N 2.8Å; F247-D273 CarbonylContact O-C 3.59Å; F247-D273 WeakPolarHBondContact O-CA 3.42Å; F247-D273 PolarHBondContact O-N 2.8Å; F247-F274 HydrophobicContact CB-CB 3.88Å; F247-F274 HydrophobicContact CB-CD1 3.54Å; F247-F274 HydrophobicContact CB-CE1 4.24Å; F247-F274 HydrophobicContact CB-CG 3.86Å; F247-F274 HydrophobicContact CD1-CB 3.95Å; F247-F274 HydrophobicContact CG-CB 4.34Å; F247-F274 VanDerWaalsContact O-CD1 3.27Å; F247-F274 WeakPolarHBondContact O-CD1 3.41Å; F247-F292 HydrophobicContact CD1-CB 4.17Å; F247-F292 HydrophobicContact CE1-CB 3.88Å; F247-F292 HydrophobicContact CE2-CB 4.38Å; F247-F292 HydrophobicContact CZ-CB 4Å; F247-R294 HydrophobicContact CD1-CB 4.47Å; F247-R294 HydrophobicContact CD1-CG 3.4Å; F247-R294 HydrophobicContact CE1-CG 3.61Å; F247-R294 HydrophobicContact CG-CG 4.42Å |
| 248 | Y | 86.3 | Confident | 85.8 | Confident | 59 Ų | 59 | 61.5 Ų | 61.5 | 23% | 0.231 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 142.4 | 173.9 | -65.8 | -99.1 | 0 | 0 | 0 | 111.8 | N229 C244 Q245 N246 C270 K271 E272 | N229-Y248 HydrophobicContact CB-CD1 3.86Å; N229-Y248 HydrophobicContact CB-CD2 3.91Å; N229-Y248 HydrophobicContact CB-CE1 3.92Å; N229-Y248 HydrophobicContact CB-CE2 3.97Å; N229-Y248 HydrophobicContact CB-CG 3.86Å; N229-Y248 VanDerWaalsContact CG-CZ 3.48Å; N229-Y248 WeakPolarHBondContact ND2-CE1 3.44Å; N229-Y248 VanDerWaalsContact ND2-CZ 3.28Å; N229-Y248 PolarHBondContact ND2-OH 3Å; C244-Y248 VanDerWaalsContact CB-O 3.31Å; C244-Y248 WeakPolarHBondContact CB-O 3.14Å; Q245-Y248 PolarHBondContact O-N 3.03Å; N246-Y248 WeakPolarHBondContact O-CD2 3.3Å; N246-Y248 PolarHBondContact O-N 2.98Å; Y248-C270 HydrophobicContact CD1-CB 4.35Å; Y248-C270 HydrophobicContact CG-CB 4.45Å; Y248-K271 CarbonylContact C-O 3.43Å; Y248-K271 VanDerWaalsContact CA-O 3.27Å; Y248-K271 WeakPolarHBondContact CA-O 3.41Å; Y248-E272 HydrophobicContact CD1-CG 4.16Å; Y248-E272 HydrophobicContact CE1-CG 3.6Å |
| 249 | K | 88.7 | Confident | 85.9 | Confident | 120 Ų | 120 | 58.9 Ų | 58.9 | 52% | 0.522 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 138.3 | 175 | -178.6 | 174.6 | -176 | 172 | 0 | 111.3 | V251 C270 K271 D273 | K249-V251 PolarHBondContact O-N 3.29Å; K249-C270 WeakPolarHBondContact O-CA 3.41Å; K249-K271 PolarHBondContact N-O 2.82Å; K249-K271 PolarHBondContact O-N 2.85Å; K249-D273 HydrophobicContact CB-CB 3.56Å; K249-D273 WeakPolarHBondContact CD-OD2 3.31Å |
| 250 | L | 91.6 | Very high | 85.2 | Confident | 47 Ų | 47 | 67.1 Ų | 67.1 | 25% | 0.246 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 123.3 | 176.7 | -167.4 | 142.3 | 0 | 0 | 0 | 110.3 | Y242 C244 G252 E254 P268 | Y242-L250 WeakPolarHBondContact O-CD1 3.45Å; C244-L250 WeakPolarHBondContact SG-CA 3.44Å; C244-L250 PolarHBondContact SG-N 3.38Å; L250-G252 WeakPolarHBondContact CD2-O 3.06Å; L250-E254 HydrophobicContact CD2-CB 4.33Å; L250-P268 HydrophobicContact CD1-CB 4Å; L250-P268 HydrophobicContact CD1-CG 4.24Å; L250-P268 HydrophobicContact CD2-CB 3.97Å; L250-P268 HydrophobicContact CG-CB 3.82Å |
| 251 | V | 92.8 | Very high | 84.3 | Confident | 59 Ų | 59 | 70.8 Ų | 70.8 | 36% | 0.358 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 117.9 | 175.8 | -179 | 0 | 0 | 0 | 0 | 108.6 | K249 K269 K271 | K249-V251 PolarHBondContact O-N 3.29Å; V251-K269 PolarHBondContact N-O 3.45Å; V251-K269 PolarHBondContact O-N 3.37Å; V251-K271 HydrophobicContact CB-CD 4.35Å; V251-K271 HydrophobicContact CB-CG 4.26Å; V251-K271 HydrophobicContact CG2-CB 4.08Å; V251-K271 HydrophobicContact CG2-CD 3.89Å; V251-K271 HydrophobicContact CG2-CG 3.85Å |
| 252 | G | 87.4 | Confident | 83.5 | Confident | 51 Ų | 51 | 69.5 Ų | 69.5 | 53% | 0.526 | 37% | 0.371 | S | S | . | . | S | Bend | trans | 110.9 | -160.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L250 E254 | L250-G252 WeakPolarHBondContact CD2-O 3.06Å; G252-E254 PolarHBondContact O-N 3.24Å |
| 253 | P | 84.3 | Confident | 83.1 | Confident | 42 Ų | 42 | 76.9 Ų | 76.9 | 27% | 0.273 | 40% | 0.404 | S | S | . | . | trans | -75.9 | 125.7 | -174.5 | 29.8 | -34 | 0 | 0 | 0 | 111.7 | T255 E266 P268 | P253-T255 PolarHBondContact O-N 3.22Å; P253-E266 HydrophobicContact CG-CB 4.25Å; P253-E266 HydrophobicContact CG-CG 4.41Å; P253-E266 WeakPolarHBondContact CG-O 3.34Å; P253-P268 VanDerWaalsContact O-CB 3.24Å; P253-P268 WeakPolarHBondContact O-CB 3.32Å; P253-P268 WeakPolarHBondContact O-CD 3.43Å; P253-P268 VanDerWaalsContact O-CG 3.24Å; P253-P268 WeakPolarHBondContact O-CG 3.44Å | ||
| 254 | E | 83.6 | Confident | 83 | Confident | 113 Ų | 113 | 72.5 Ų | 72.5 | 53% | 0.528 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -61.5 | -29.9 | 174.1 | -172.7 | -171.6 | 172.9 | 0 | 0 | 112.3 | K241 Y242 L250 G252 | K241-E254 WeakPolarHBondContact CA-O 3.47Å; Y242-E254 PolarHBondContact N-O 2.92Å; Y242-E254 VanDerWaalsContact N-O 3.07Å; L250-E254 HydrophobicContact CD2-CB 4.33Å; G252-E254 PolarHBondContact O-N 3.24Å |
| 255 | T | 85.6 | Confident | 82.7 | Confident | 45 Ų | 45 | 73 Ų | 73 | 28% | 0.276 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 125 | -177.4 | -55.7 | 0 | 0 | 0 | 0 | 111 | Y239 K241 P253 V257 | Y239-T255 HydrophobicContact CD2-CG2 3.49Å; Y239-T255 VanDerWaalsContact CD2-CG2 3.49Å; Y239-T255 HydrophobicContact CE2-CG2 4.29Å; Y239-T255 HydrophobicContact CG-CG2 3.8Å; K241-T255 HydrophobicContact CG-CG2 4.3Å; P253-T255 PolarHBondContact O-N 3.22Å; T255-V257 HydrophobicContact CG2-CG2 4.2Å |
| 256 | V | 86.5 | Confident | 82.9 | Confident | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 121.5 | 174.7 | -173.1 | 0 | 0 | 0 | 0 | 109 | P225 Y239 V240 Y242 W264 S265 V267 P268 | P225-V256 HydrophobicContact CG-CG1 4.37Å; Y239-V256 CarbonylContact C-O 3.52Å; Y239-V256 WeakPolarHBondContact CA-O 3.23Å; Y239-V256 VanDerWaalsContact CB-O 3.3Å; Y239-V256 WeakPolarHBondContact CB-O 3.28Å; V240-V256 PolarHBondContact N-O 3.07Å; V240-V256 PolarHBondContact O-N 2.93Å; Y242-V256 HydrophobicContact CD2-CG2 3.78Å; Y242-V256 HydrophobicContact CE2-CB 4.13Å; Y242-V256 HydrophobicContact CE2-CG2 3.62Å; V256-W264 HydrophobicContact CG1-CB 3.93Å; V256-W264 HydrophobicContact CG1-CD2 4.31Å; V256-W264 HydrophobicContact CG1-CE3 3.86Å; V256-W264 HydrophobicContact CG1-CG 4.39Å; V256-S265 WeakPolarHBondContact CA-OG 3.34Å; V256-V267 HydrophobicContact CG1-CG2 4.12Å; V256-V267 HydrophobicContact CG2-CG1 4.45Å; V256-P268 HydrophobicContact CG2-CG 4.37Å |
| 257 | V | 86.6 | Confident | 83.2 | Confident | 56 Ų | 56 | 72.2 Ų | 72.2 | 34% | 0.339 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 135.5 | -172.3 | -177.7 | 0 | 0 | 0 | 0 | 110.7 | R238 T255 W264 S265 | R238-V257 CarbonylContact O-C 3.51Å; R238-V257 WeakPolarHBondContact O-CA 3.3Å; T255-V257 HydrophobicContact CG2-CG2 4.2Å; V257-W264 CarbonylContact O-C 3.48Å; V257-W264 WeakPolarHBondContact O-CA 3.42Å; V257-S265 PolarHBondContact N-OG 2.71Å; V257-S265 PolarHBondContact O-N 3.38Å |
| 258 | C | 80.5 | Confident | 83.7 | Confident | 7 Ų | 7 | 69.4 Ų | 69.4 | 5% | 0.047 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 113.9 | 171 | 174.6 | 0 | 0 | 0 | 0 | 109.9 | I218 C221 R238 W264 | I218-C258 HydrophobicContact CG2-CB 4.19Å; I218-C258 WeakPolarHBondContact CG2-SG 3.49Å; C221-C258 HydrophobicContact CB-CB 3.8Å; C221-C258 WeakPolarHBondContact CB-SG 3.46Å; C221-C258 WeakPolarHBondContact SG-CA 3.45Å; C221-C258 WeakPolarHBondContact SG-CB 3.13Å; C221-C258 CovalentContact SG-SG 1.99Å; C221-C258 PolarHBondContact SG-SG 2.8Å; R238-C258 PolarHBondContact O-N 1.99Å; C258-W264 HydrophobicContact CB-CE3 3.84Å; C258-W264 HydrophobicContact CB-CH2 4.01Å; C258-W264 HydrophobicContact CB-CZ3 3.57Å |
| 259 | H | 77.9 | Confident | 84.1 | Confident | 98 Ų | 98 | 73.4 Ų | 73.4 | 45% | 0.454 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 158.6 | 179.1 | -65 | -65.6 | 0 | 0 | 0 | 112.1 | G261 G262 K263 S265 | H259-G261 PolarHBondContact O-N 2.8Å; H259-G262 PolarHBondContact O-N 3.37Å; H259-K263 WeakPolarHBondContact CB-O 3.41Å; H259-K263 PolarHBondContact CD2-O 2.91Å; H259-K263 PolarHBondContact N-O 2.94Å; H259-S265 WeakPolarHBondContact NE2-CB 3.39Å |
| 260 | R | 68.3 | Low | 84.3 | Confident | 223 Ų | 223 | 68.5 Ų | 68.5 | 84% | 0.842 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -19.5 | -178.7 | -71 | -175.2 | -177.8 | -176.7 | -0.2 | 114.7 | I218 | I218-R260 HydrophobicContact CD1-CG 4.22Š|
| 261 | G | 65.9 | Low | 84.3 | Confident | 76 Ų | 76 | 72 Ų | 72 | 78% | 0.784 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | 10.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | H259 | H259-G261 PolarHBondContact O-N 2.8Š|
| 262 | G | 71.2 | Confident | 84 | Confident | 28 Ų | 28 | 75.6 Ų | 75.6 | 29% | 0.289 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | 26 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | H259 | H259-G262 PolarHBondContact O-N 3.37Š|
| 263 | K | 80.1 | Confident | 84.2 | Confident | 159 Ų | 159 | 75.3 Ų | 75.3 | 69% | 0.691 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 131.8 | -179.4 | -169.3 | 179.6 | 176.6 | 179.5 | 0 | 110.6 | H259 | H259-K263 WeakPolarHBondContact CB-O 3.41Å; H259-K263 PolarHBondContact CD2-O 2.91Å; H259-K263 PolarHBondContact N-O 2.94Å |
| 264 | W | 85.3 | Confident | 84.5 | Confident | 48 Ų | 48 | 74.7 Ų | 74.7 | 18% | 0.182 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 144.3 | 169.5 | -66.1 | 110 | 0 | 0 | 0 | 111.3 | C221 E223 P225 V240 V256 V257 C258 | C221-W264 HydrophobicContact CB-CD2 4.05Å; C221-W264 HydrophobicContact CB-CH2 4.29Å; C221-W264 HydrophobicContact CB-CZ2 3.68Å; C221-W264 PolarHBondContact O-NE1 2.85Å; E223-W264 PolarHBondContact O-NE1 3.44Å; P225-W264 HydrophobicContact CG-CB 3.89Å; P225-W264 VanDerWaalsContact CG-CD1 3.4Å; P225-W264 HydrophobicContact CG-CD2 3.92Å; P225-W264 HydrophobicContact CG-CG 3.45Å; P225-W264 VanDerWaalsContact CG-CG 3.45Å; V240-W264 HydrophobicContact CG2-CH2 3.84Å; V240-W264 HydrophobicContact CG2-CZ3 4.11Å; V256-W264 HydrophobicContact CG1-CB 3.93Å; V256-W264 HydrophobicContact CG1-CD2 4.31Å; V256-W264 HydrophobicContact CG1-CE3 3.86Å; V256-W264 HydrophobicContact CG1-CG 4.39Å; V257-W264 CarbonylContact O-C 3.48Å; V257-W264 WeakPolarHBondContact O-CA 3.42Å; C258-W264 HydrophobicContact CB-CE3 3.84Å; C258-W264 HydrophobicContact CB-CH2 4.01Å; C258-W264 HydrophobicContact CB-CZ3 3.57Å |
| 265 | S | 85.9 | Confident | 84.9 | Confident | 28 Ų | 28 | 69.6 Ų | 69.6 | 20% | 0.196 | 35% | 0.352 | C | S | . | . | trans | -63.6 | -179.4 | 169.4 | 71.5 | 0 | 0 | 0 | 0 | 110.9 | V256 V257 H259 V267 | V256-S265 WeakPolarHBondContact CA-OG 3.34Å; V257-S265 PolarHBondContact N-OG 2.71Å; V257-S265 PolarHBondContact O-N 3.38Å; H259-S265 WeakPolarHBondContact NE2-CB 3.39Å; S265-V267 PolarHBondContact O-N 2.8Å | ||
| 266 | E | 87.6 | Confident | 85.2 | Confident | 148 Ų | 148 | 71.3 Ų | 71.3 | 69% | 0.692 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -52.5 | 137.4 | 171.1 | -173.2 | 175.5 | -175.2 | 0 | 0 | 111.1 | P253 | P253-E266 HydrophobicContact CG-CB 4.25Å; P253-E266 HydrophobicContact CG-CG 4.41Å; P253-E266 WeakPolarHBondContact CG-O 3.34Å |
| 267 | V | 89 | Confident | 85.5 | Confident | 46 Ų | 46 | 71.3 Ų | 71.3 | 28% | 0.279 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -101.9 | 135.6 | -175.6 | -178.9 | 0 | 0 | 0 | 0 | 108.7 | P225 V227 V256 S265 | P225-V267 HydrophobicContact CB-CG1 4.1Å; P225-V267 HydrophobicContact CB-CG2 3.72Å; P225-V267 HydrophobicContact CG-CG2 4Å; V227-V267 HydrophobicContact CG2-CG1 3.36Å; V256-V267 HydrophobicContact CG1-CG2 4.12Å; V256-V267 HydrophobicContact CG2-CG1 4.45Å; S265-V267 PolarHBondContact O-N 2.8Å |
| 268 | P | 93.2 | Very high | 85.8 | Confident | 5 Ų | 5 | 70.5 Ų | 70.5 | 3% | 0.032 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 158.8 | 179.2 | 24.4 | -31.7 | 0 | 0 | 0 | 112.3 | V227 Y242 L250 P253 V256 | V227-P268 WeakPolarHBondContact CG1-O 3.18Å; V227-P268 HydrophobicContact CG2-CG 4.46Å; Y242-P268 HydrophobicContact CD2-CG 4.22Å; Y242-P268 HydrophobicContact CG-CG 4.25Å; L250-P268 HydrophobicContact CD1-CB 4Å; L250-P268 HydrophobicContact CD1-CG 4.24Å; L250-P268 HydrophobicContact CD2-CB 3.97Å; L250-P268 HydrophobicContact CG-CB 3.82Å; P253-P268 VanDerWaalsContact O-CB 3.24Å; P253-P268 WeakPolarHBondContact O-CB 3.32Å; P253-P268 WeakPolarHBondContact O-CD 3.43Å; P253-P268 VanDerWaalsContact O-CG 3.24Å; P253-P268 WeakPolarHBondContact O-CG 3.44Å; V256-P268 HydrophobicContact CG2-CG 4.37Å |
| 269 | K | 94.2 | Very high | 86.1 | Confident | 143 Ų | 143 | 70.2 Ų | 70.2 | 62% | 0.622 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116 | 128.6 | 172 | -63.6 | -179.6 | -177.6 | 177.1 | 0 | 109.5 | V251 K271 | V251-K269 PolarHBondContact N-O 3.45Å; V251-K269 PolarHBondContact O-N 3.37Å; K269-K271 PolarHBondContact O-N 3.39Å |
| 270 | C | 92.7 | Very high | 86.5 | Confident | 17 Ų | 17 | 68.3 Ų | 68.3 | 12% | 0.115 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 108.1 | 169.7 | -66.9 | 0 | 0 | 0 | 0 | 108.7 | P228 N229 C244 Y248 K249 | P228-C270 WeakPolarHBondContact O-CB 3.04Å; N229-C270 HydrophobicContact CB-CB 4.11Å; N229-C270 PolarHBondContact O-SG 3.49Å; N229-C270 VanDerWaalsContact O-SG 3.41Å; C244-C270 WeakPolarHBondContact CA-SG 3.41Å; C244-C270 HydrophobicContact CB-CB 3.78Å; C244-C270 WeakPolarHBondContact CB-SG 3.08Å; C244-C270 WeakPolarHBondContact SG-CA 3.4Å; C244-C270 WeakPolarHBondContact SG-CB 3.22Å; C244-C270 CovalentContact SG-SG 2.03Å; C244-C270 PolarHBondContact SG-SG 2.99Å; Y248-C270 HydrophobicContact CD1-CB 4.35Å; Y248-C270 HydrophobicContact CG-CB 4.45Å; K249-C270 WeakPolarHBondContact O-CA 3.41Å |
| 271 | K | 91.4 | Very high | 87.6 | Confident | 119 Ų | 119 | 64.2 Ų | 64.2 | 52% | 0.517 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 146.8 | 176.3 | -66.3 | -162.9 | -174.6 | 178.5 | 0 | 110.1 | Y248 K249 V251 K269 D273 | Y248-K271 CarbonylContact C-O 3.43Å; Y248-K271 VanDerWaalsContact CA-O 3.27Å; Y248-K271 WeakPolarHBondContact CA-O 3.41Å; K249-K271 PolarHBondContact N-O 2.82Å; K249-K271 PolarHBondContact O-N 2.85Å; V251-K271 HydrophobicContact CB-CD 4.35Å; V251-K271 HydrophobicContact CB-CG 4.26Å; V251-K271 HydrophobicContact CG2-CB 4.08Å; V251-K271 HydrophobicContact CG2-CD 3.89Å; V251-K271 HydrophobicContact CG2-CG 3.85Å; K269-K271 PolarHBondContact O-N 3.39Å; K271-D273 PolarHBondContact O-N 2.77Å |
| 272 | E | 87.3 | Confident | 88.7 | Confident | 136 Ų | 136 | 64.3 Ų | 64.3 | 64% | 0.636 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.9 | 128.8 | 174.2 | -59.2 | 177.9 | 162.3 | 0 | 0 | 109.7 | Y248 F274 | Y248-E272 HydrophobicContact CD1-CG 4.16Å; Y248-E272 HydrophobicContact CE1-CG 3.6Å; E272-F274 HydrophobicContact CB-CD1 3.97Å; E272-F274 HydrophobicContact CB-CE1 3.65Å; E272-F274 HydrophobicContact CB-CZ 4.4Å; E272-F274 HydrophobicContact CG-CD1 4.49Å; E272-F274 HydrophobicContact CG-CE1 3.69Å; E272-F274 HydrophobicContact CG-CZ 4.23Å |
| 273 | D | 91.5 | Very high | 89.5 | Confident | 44 Ų | 44 | 68.5 Ų | 68.5 | 24% | 0.235 | 34% | 0.342 | C | S | . | . | trans | -131.5 | 48.5 | 177.5 | -163.1 | 30.7 | 0 | 0 | 0 | 109.4 | F247 K249 K271 N295 | F247-D273 CarbonylContact O-C 3.59Å; F247-D273 WeakPolarHBondContact O-CA 3.42Å; F247-D273 PolarHBondContact O-N 2.8Å; K249-D273 HydrophobicContact CB-CB 3.56Å; K249-D273 WeakPolarHBondContact CD-OD2 3.31Å; K271-D273 PolarHBondContact O-N 2.77Å; D273-N295 VanDerWaalsContact O-CB 3.32Å; D273-N295 WeakPolarHBondContact O-CB 3.39Å; D273-N295 PolarHBondContact O-N 2.81Å; D273-N295 WeakPolarHBondContact OD1-CB 3.42Å; D273-N295 PolarHBondContact OD1-ND2 3.39Å | ||
| 274 | F | 91 | Very high | 89.9 | Confident | 30 Ų | 30 | 66 Ų | 66 | 13% | 0.132 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 167.3 | -179.1 | 69.1 | -87.1 | 0 | 0 | 0 | 110.7 | F247 E272 L276 F292 I293 C317 | F247-F274 HydrophobicContact CB-CB 3.88Å; F247-F274 HydrophobicContact CB-CD1 3.54Å; F247-F274 HydrophobicContact CB-CE1 4.24Å; F247-F274 HydrophobicContact CB-CG 3.86Å; F247-F274 HydrophobicContact CD1-CB 3.95Å; F247-F274 HydrophobicContact CG-CB 4.34Å; F247-F274 VanDerWaalsContact O-CD1 3.27Å; F247-F274 WeakPolarHBondContact O-CD1 3.41Å; E272-F274 HydrophobicContact CB-CD1 3.97Å; E272-F274 HydrophobicContact CB-CE1 3.65Å; E272-F274 HydrophobicContact CB-CZ 4.4Å; E272-F274 HydrophobicContact CG-CD1 4.49Å; E272-F274 HydrophobicContact CG-CE1 3.69Å; E272-F274 HydrophobicContact CG-CZ 4.23Å; F274-L276 HydrophobicContact CE2-CB 4.45Å; F274-F292 AromaticContact CD2-CD1 3.66Å; F274-F292 HydrophobicContact CD2-CD1 3.66Å; F274-F292 HydrophobicContact CD2-CE1 4.45Å; F274-F292 AromaticContact CE2-CD1 3.43Å; F274-F292 HydrophobicContact CE2-CD1 3.43Å; F274-F292 VanDerWaalsContact CE2-CD1 3.43Å; F274-F292 AromaticContact CE2-CE1 3.77Å; F274-F292 HydrophobicContact CE2-CE1 3.77Å; F274-F292 HydrophobicContact CZ-CD1 4.17Å; F274-F292 HydrophobicContact CZ-CE1 4.26Å; F274-I293 CarbonylContact C-O 3.49Å; F274-I293 WeakPolarHBondContact CA-O 3.41Å; F274-I293 VanDerWaalsContact CB-O 3.31Å; F274-I293 WeakPolarHBondContact CB-O 3.16Å; F274-C317 VanDerWaalsContact C-SG 3.5Å |
| 275 | C | 92 | Very high | 90 | Very high | 5 Ų | 5 | 64.1 Ų | 64.1 | 3% | 0.034 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 135.7 | 171 | -63.3 | 0 | 0 | 0 | 0 | 109 | I293 C317 L322 | C275-I293 PolarHBondContact N-O 3.45Å; C275-I293 PolarHBondContact O-N 3.04Å; C275-C317 HydrophobicContact CB-CB 3.56Å; C275-C317 WeakPolarHBondContact CB-SG 2.99Å; C275-C317 PolarHBondContact N-SG 2.96Å; C275-C317 WeakPolarHBondContact SG-CA 2.99Å; C275-C317 WeakPolarHBondContact SG-CB 3.2Å; C275-C317 CovalentContact SG-SG 2.04Å; C275-C317 PolarHBondContact SG-SG 3.17Å; C275-L322 HydrophobicContact CB-CB 3.94Å; C275-L322 HydrophobicContact CB-CD1 3.79Å; C275-L322 HydrophobicContact CB-CG 4.41Å; C275-L322 PolarHBondContact SG-N 3.39Å; C275-L322 VanDerWaalsContact SG-N 3.4Å |
| 276 | L | 91.6 | Very high | 90.2 | Very high | 82 Ų | 82 | 66.6 Ų | 66.6 | 43% | 0.429 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 115 | 172.9 | 179.3 | 64.4 | 0 | 0 | 0 | 109.3 | F274 N290 F292 | F274-L276 HydrophobicContact CE2-CB 4.45Å; L276-N290 HydrophobicContact CD1-CB 3.73Å; L276-F292 HydrophobicContact CD1-CD1 4.05Å; L276-F292 HydrophobicContact CD1-CE1 3.77Å; L276-F292 HydrophobicContact CD1-CE2 4.5Å; L276-F292 HydrophobicContact CD1-CZ 4.02Å |
| 277 | L | 92.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 106.6 | 167 | 173.5 | 67.1 | 0 | 0 | 0 | 108.9 | T279 Y282 L285 T291 I293 P301 A315 L322 V324 | L277-T279 HydrophobicContact CD2-CG2 4.27Å; L277-T279 HydrophobicContact CG-CG2 4.26Å; L277-T279 PolarHBondContact O-N 2.91Å; L277-Y282 HydrophobicContact CD1-CD2 3.78Å; L277-Y282 HydrophobicContact CD1-CE2 3.42Å; L277-Y282 VanDerWaalsContact CD1-CE2 3.42Å; L277-L285 HydrophobicContact CD2-CD1 4.45Å; L277-T291 PolarHBondContact N-O 2.9Å; L277-T291 PolarHBondContact O-N 3.23Å; L277-I293 HydrophobicContact CB-CD1 4.14Å; L277-I293 HydrophobicContact CD2-CD1 4.46Å; L277-P301 HydrophobicContact CD2-CB 4.38Å; L277-P301 HydrophobicContact CD2-CG 3.4Å; L277-P301 VanDerWaalsContact CD2-CG 3.4Å; L277-A315 HydrophobicContact CD2-CB 4.04Å; L277-L322 HydrophobicContact CB-CD1 4.42Å; L277-L322 HydrophobicContact CB-CD2 4.03Å; L277-L322 HydrophobicContact CD1-CD2 3.88Å; L277-V324 HydrophobicContact CD1-CG2 4.11Å |
| 278 | N | 91.6 | Very high | 89.9 | Confident | 38 Ų | 38 | 67.4 Ų | 67.4 | 20% | 0.203 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 102.1 | 169 | -178.5 | 1.2 | 0 | 0 | 0 | 109.3 | A280 E281 Y282 | N278-A280 PolarHBondContact O-N 2.7Å; N278-A280 WeakPolarHBondContact OD1-CB 3.34Å; N278-A280 PolarHBondContact OD1-N 2.87Å; N278-E281 HydrophobicContact CB-CG 4.21Å; N278-E281 PolarHBondContact ND2-OE1 2.95Å; N278-E281 WeakPolarHBondContact O-CB 3.44Å; N278-E281 PolarHBondContact O-N 2.85Å; N278-E281 VanDerWaalsContact O-N 3.09Å; N278-Y282 WeakPolarHBondContact O-CD2 3.43Å |
| 279 | T | 87.9 | Confident | 89.6 | Confident | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.006 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -64.4 | -21.1 | -176.3 | 55.5 | 0 | 0 | 0 | 0 | 113.5 | L277 E281 Y282 L285 T288 G289 | L277-T279 HydrophobicContact CD2-CG2 4.27Å; L277-T279 HydrophobicContact CG-CG2 4.26Å; L277-T279 PolarHBondContact O-N 2.91Å; T279-E281 PolarHBondContact O-N 3.24Å; T279-Y282 PolarHBondContact O-N 3.14Å; T279-L285 HydrophobicContact CG2-CD1 4.23Å; T279-T288 PolarHBondContact OG1-N 2.76Å; T279-G289 PolarHBondContact N-O 3.5Å; T279-G289 PolarHBondContact OG1-N 2.58Å; T279-G289 PolarHBondContact OG1-O 2.81Å |
| 280 | A | 86.6 | Confident | 89.3 | Confident | 59 Ų | 59 | 65.9 Ų | 65.9 | 49% | 0.488 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -67.9 | -20.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | N278 Y282 | N278-A280 PolarHBondContact O-N 2.7Å; N278-A280 WeakPolarHBondContact OD1-CB 3.34Å; N278-A280 PolarHBondContact OD1-N 2.87Å; A280-Y282 VanDerWaalsContact C-N 3.3Å |
| 281 | E | 90.9 | Very high | 88.9 | Confident | 136 Ų | 136 | 66.8 Ų | 66.8 | 64% | 0.636 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -82.5 | -9.6 | 176.9 | -68.7 | 171.8 | -155.7 | 0 | 0 | 112.8 | N278 T279 | N278-E281 HydrophobicContact CB-CG 4.21Å; N278-E281 PolarHBondContact ND2-OE1 2.95Å; N278-E281 WeakPolarHBondContact O-CB 3.44Å; N278-E281 PolarHBondContact O-N 2.85Å; N278-E281 VanDerWaalsContact O-N 3.09Å; T279-E281 PolarHBondContact O-N 3.24Å |
| 282 | Y | 88.4 | Confident | 88.8 | Confident | 79 Ų | 79 | 65.8 Ų | 65.8 | 31% | 0.31 | 36% | 0.356 | S | S | . | . | trans | -114.6 | 102.1 | -178 | -65 | -96.6 | 0 | 0 | 0 | 109.6 | L277 N278 T279 A280 D284 L285 V324 | L277-Y282 HydrophobicContact CD1-CD2 3.78Å; L277-Y282 HydrophobicContact CD1-CE2 3.42Å; L277-Y282 VanDerWaalsContact CD1-CE2 3.42Å; N278-Y282 WeakPolarHBondContact O-CD2 3.43Å; T279-Y282 PolarHBondContact O-N 3.14Å; A280-Y282 VanDerWaalsContact C-N 3.3Å; Y282-D284 PolarHBondContact O-N 3.32Å; Y282-D284 VanDerWaalsContact O-N 3.11Å; Y282-L285 HydrophobicContact CD2-CD1 4.39Å; Y282-L285 HydrophobicContact CG-CD1 4Å; Y282-L285 PolarHBondContact O-N 2.98Å; Y282-V324 HydrophobicContact CD1-CG1 4.31Å; Y282-V324 HydrophobicContact CE1-CB 4.03Å; Y282-V324 HydrophobicContact CE1-CG1 3.99Å; Y282-V324 HydrophobicContact CE1-CG2 4.04Å | ||
| 283 | P | 88.4 | Confident | 89 | Confident | 115 Ų | 115 | 59.3 Ų | 59.3 | 75% | 0.747 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -21.6 | -174.2 | 25.2 | -34.1 | 0 | 0 | 0 | 113.6 | L285 | P283-L285 VanDerWaalsContact C-N 3.31Š|
| 284 | D | 87.9 | Confident | 88.9 | Confident | 108 Ų | 108 | 62.1 Ų | 62.1 | 58% | 0.578 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -6.3 | 178.2 | -61.4 | -32.9 | 0 | 0 | 0 | 113.1 | Y282 C303 V304 | Y282-D284 PolarHBondContact O-N 3.32Å; Y282-D284 VanDerWaalsContact O-N 3.11Å; D284-C303 CarbonylContact O-C 3.46Å; D284-C303 WeakPolarHBondContact O-CA 3.44Å; D284-C303 WeakPolarHBondContact O-CB 3.19Å; D284-V304 PolarHBondContact O-N 3.11Å |
| 285 | L | 89.3 | Confident | 88.8 | Confident | 8 Ų | 8 | 63.2 Ų | 63.2 | 4% | 0.042 | 34% | 0.34 | C | S | . | . | B | Isolated β-bridge | trans | -102.3 | 146.4 | -179.2 | -63.2 | -174 | 0 | 0 | 0 | 112.4 | L277 T279 Y282 P283 N287 P301 V304 V313 | L277-L285 HydrophobicContact CD2-CD1 4.45Å; T279-L285 HydrophobicContact CG2-CD1 4.23Å; Y282-L285 HydrophobicContact CD2-CD1 4.39Å; Y282-L285 HydrophobicContact CG-CD1 4Å; Y282-L285 PolarHBondContact O-N 2.98Å; P283-L285 VanDerWaalsContact C-N 3.31Å; L285-N287 PolarHBondContact O-N 3.32Å; L285-P301 HydrophobicContact CD1-CB 4.16Å; L285-P301 HydrophobicContact CD2-CB 4.16Å; L285-V304 VanDerWaalsContact O-CG2 3.24Å; L285-V304 WeakPolarHBondContact O-CG2 3.1Å; L285-V313 HydrophobicContact CD1-CG2 4.21Å; L285-V313 HydrophobicContact CD2-CB 4.26Å; L285-V313 HydrophobicContact CD2-CG1 3.59Å; L285-V313 HydrophobicContact CD2-CG2 3.66Å |
| 286 | I | 88.3 | Confident | 88.7 | Confident | 80 Ų | 80 | 66.2 Ų | 66.2 | 41% | 0.41 | 37% | 0.372 | S | S | . | . | trans | -64 | 121.5 | 167.2 | -60.7 | 178.9 | 0 | 0 | 0 | 107.3 | T288 K302 V304 | I286-T288 HydrophobicContact CG2-CG2 4.27Å; I286-T288 PolarHBondContact O-N 2.62Å; I286-K302 HydrophobicContact CD1-CB 3.82Å; I286-K302 HydrophobicContact CG1-CB 4.38Å; I286-K302 PolarHBondContact N-O 2.94Å; I286-V304 HydrophobicContact CG1-CG2 4.33Å | ||
| 287 | N | 87.4 | Confident | 88.7 | Confident | 110 Ų | 110 | 65.6 Ų | 65.6 | 59% | 0.588 | 37% | 0.367 | S | S | * | . | trans | -69.2 | 101.8 | 179.6 | -174.8 | -2.4 | 0 | 0 | 0 | 110.4 | L285 G289 | L285-N287 PolarHBondContact O-N 3.32Å; N287-G289 PolarHBondContact OD1-N 3.44Å; N287-G289 VanDerWaalsContact OD1-N 3.1Å | ||
| 288 | T | 84.8 | Confident | 88.7 | Confident | 100 Ų | 100 | 67.6 Ų | 67.6 | 61% | 0.613 | 38% | 0.379 | S | S | * | . | trans | -108.5 | 6 | 173.2 | 56.1 | 0 | 0 | 0 | 0 | 111.9 | T279 I286 | T279-T288 PolarHBondContact OG1-N 2.76Å; I286-T288 HydrophobicContact CG2-CG2 4.27Å; I286-T288 PolarHBondContact O-N 2.62Å | ||
| 289 | G | 85.8 | Confident | 88.8 | Confident | 24 Ų | 24 | 69.6 Ų | 69.6 | 25% | 0.247 | 39% | 0.388 | C | S | . | . | trans | 79.6 | -141.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T279 N287 | T279-G289 PolarHBondContact N-O 3.5Å; T279-G289 PolarHBondContact OG1-N 2.58Å; T279-G289 PolarHBondContact OG1-O 2.81Å; N287-G289 PolarHBondContact OD1-N 3.44Å; N287-G289 VanDerWaalsContact OD1-N 3.1Å | ||
| 290 | N | 87.4 | Confident | 89 | Confident | 92 Ų | 92 | 73.8 Ų | 73.8 | 49% | 0.492 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 123.9 | -173.9 | -76.4 | -11.1 | 0 | 0 | 0 | 111.9 | L276 F292 | L276-N290 HydrophobicContact CD1-CB 3.73Å; N290-F292 HydrophobicContact CB-CE2 4.45Å |
| 291 | T | 85.7 | Confident | 89.3 | Confident | 37 Ų | 37 | 71.9 Ų | 71.9 | 23% | 0.227 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 127.3 | 173.2 | -56.7 | 0 | 0 | 0 | 0 | 109.7 | L277 I293 E299 | L277-T291 PolarHBondContact N-O 2.9Å; L277-T291 PolarHBondContact O-N 3.23Å; T291-I293 HydrophobicContact CG2-CG1 4.36Å; T291-E299 HydrophobicContact CG2-CG 4.45Å |
| 292 | F | 88.9 | Confident | 89.3 | Confident | 97 Ų | 97 | 70.4 Ų | 70.4 | 43% | 0.425 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 119.3 | 179.2 | -61.4 | -90.9 | 0 | 0 | 0 | 109.9 | F247 F274 L276 N290 | F247-F292 HydrophobicContact CD1-CB 4.17Å; F247-F292 HydrophobicContact CE1-CB 3.88Å; F247-F292 HydrophobicContact CE2-CB 4.38Å; F247-F292 HydrophobicContact CZ-CB 4Å; F274-F292 AromaticContact CD2-CD1 3.66Å; F274-F292 HydrophobicContact CD2-CD1 3.66Å; F274-F292 HydrophobicContact CD2-CE1 4.45Å; F274-F292 AromaticContact CE2-CD1 3.43Å; F274-F292 HydrophobicContact CE2-CD1 3.43Å; F274-F292 VanDerWaalsContact CE2-CD1 3.43Å; F274-F292 AromaticContact CE2-CE1 3.77Å; F274-F292 HydrophobicContact CE2-CE1 3.77Å; F274-F292 HydrophobicContact CZ-CD1 4.17Å; F274-F292 HydrophobicContact CZ-CE1 4.26Å; L276-F292 HydrophobicContact CD1-CD1 4.05Å; L276-F292 HydrophobicContact CD1-CE1 3.77Å; L276-F292 HydrophobicContact CD1-CE2 4.5Å; L276-F292 HydrophobicContact CD1-CZ 4.02Å; N290-F292 HydrophobicContact CB-CE2 4.45Å |
| 293 | I | 90.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 119 | -177.2 | -50.8 | 177.3 | 0 | 0 | 0 | 107.9 | F274 C275 L277 T291 E297 E299 A315 C317 L322 | F274-I293 CarbonylContact C-O 3.49Å; F274-I293 WeakPolarHBondContact CA-O 3.41Å; F274-I293 VanDerWaalsContact CB-O 3.31Å; F274-I293 WeakPolarHBondContact CB-O 3.16Å; C275-I293 PolarHBondContact N-O 3.45Å; C275-I293 PolarHBondContact O-N 3.04Å; L277-I293 HydrophobicContact CB-CD1 4.14Å; L277-I293 HydrophobicContact CD2-CD1 4.46Å; T291-I293 HydrophobicContact CG2-CG1 4.36Å; I293-E297 HydrophobicContact CG2-CB 4.25Å; I293-E299 HydrophobicContact CB-CG 4.49Å; I293-E299 HydrophobicContact CD1-CB 3.93Å; I293-E299 HydrophobicContact CD1-CG 4.21Å; I293-E299 HydrophobicContact CG1-CB 4.1Å; I293-E299 HydrophobicContact CG1-CG 3.79Å; I293-E299 HydrophobicContact CG2-CG 4.23Å; I293-A315 HydrophobicContact CD1-CB 3.67Å; I293-C317 HydrophobicContact CB-CB 4.23Å; I293-C317 HydrophobicContact CG2-CB 3.9Å; I293-L322 HydrophobicContact CD1-CD1 3.81Å |
| 294 | R | 89.7 | Confident | 89.2 | Confident | 103 Ų | 103 | 65.9 Ų | 65.9 | 39% | 0.389 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 148.8 | 176.8 | -74.7 | -173.9 | -76.7 | -87 | -5.3 | 110.5 | F247 G296 E297 C317 | F247-R294 HydrophobicContact CD1-CB 4.47Å; F247-R294 HydrophobicContact CD1-CG 3.4Å; F247-R294 HydrophobicContact CE1-CG 3.61Å; F247-R294 HydrophobicContact CG-CG 4.42Å; R294-G296 PolarHBondContact O-N 3.46Å; R294-E297 HydrophobicContact CB-CB 4.33Å; R294-E297 HydrophobicContact CB-CG 3.98Å; R294-E297 WeakPolarHBondContact CB-OE2 3.41Å; R294-E297 IonicContact CZ-OE1 2.78Å; R294-E297 IonicContact CZ-OE2 3.18Å; R294-E297 VanDerWaalsContact NE-CD 3.27Å; R294-E297 IonicContact NE-OE1 2.96Å; R294-E297 PolarHBondContact NE-OE1 2.03Å; R294-E297 IonicContact NE-OE2 3.21Å; R294-E297 PolarHBondContact NE-OE2 2.83Å; R294-E297 IonicContact NH2-OE1 2.79Å; R294-E297 PolarHBondContact NH2-OE1 3.29Å; R294-E297 IonicContact NH2-OE2 3.21Å; R294-E297 PolarHBondContact NH2-OE2 3.17Å; R294-E297 WeakPolarHBondContact O-CB 3.12Å; R294-E297 PolarHBondContact O-N 2.94Å; R294-C317 WeakPolarHBondContact O-CB 3.36Å |
| 295 | N | 89.3 | Confident | 88.6 | Confident | 53 Ų | 53 | 63.6 Ų | 63.6 | 28% | 0.283 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 127.6 | 175 | -168.1 | 26 | 0 | 0 | 0 | 111.1 | D273 C317 G319 G320 | D273-N295 VanDerWaalsContact O-CB 3.32Å; D273-N295 WeakPolarHBondContact O-CB 3.39Å; D273-N295 PolarHBondContact O-N 2.81Å; D273-N295 WeakPolarHBondContact OD1-CB 3.42Å; D273-N295 PolarHBondContact OD1-ND2 3.39Å; N295-C317 PolarHBondContact OD1-O 3.03Å; N295-G319 WeakPolarHBondContact OD1-CA 3.34Å; N295-G319 PolarHBondContact OD1-N 2.8Å; N295-G320 PolarHBondContact OD1-N 2.74Å |
| 296 | G | 88.9 | Confident | 87.1 | Confident | 68 Ų | 68 | 74.6 Ų | 74.6 | 70% | 0.701 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.2 | -11.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115 | R294 C317 | R294-G296 PolarHBondContact O-N 3.46Å; G296-C317 PolarHBondContact N-O 2.57Å |
| 297 | E | 91.9 | Very high | 85.6 | Confident | 69 Ų | 69 | 80.7 Ų | 80.7 | 32% | 0.322 | 40% | 0.403 | S | S | . | . | trans | -91.6 | 160.7 | 177 | -67.2 | -175 | 173.3 | 0 | 0 | 112.5 | I293 R294 C317 | I293-E297 HydrophobicContact CG2-CB 4.25Å; R294-E297 HydrophobicContact CB-CB 4.33Å; R294-E297 HydrophobicContact CB-CG 3.98Å; R294-E297 WeakPolarHBondContact CB-OE2 3.41Å; R294-E297 IonicContact CZ-OE1 2.78Å; R294-E297 IonicContact CZ-OE2 3.18Å; R294-E297 VanDerWaalsContact NE-CD 3.27Å; R294-E297 IonicContact NE-OE1 2.96Å; R294-E297 PolarHBondContact NE-OE1 2.03Å; R294-E297 IonicContact NE-OE2 3.21Å; R294-E297 PolarHBondContact NE-OE2 2.83Å; R294-E297 IonicContact NH2-OE1 2.79Å; R294-E297 PolarHBondContact NH2-OE1 3.29Å; R294-E297 IonicContact NH2-OE2 3.21Å; R294-E297 PolarHBondContact NH2-OE2 3.17Å; R294-E297 WeakPolarHBondContact O-CB 3.12Å; R294-E297 PolarHBondContact O-N 2.94Å; E297-C317 PolarHBondContact O-N 3.11Å | ||
| 298 | T | 93.4 | Very high | 84.2 | Confident | 42 Ų | 42 | 81.9 Ų | 81.9 | 26% | 0.258 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 129.5 | 176.9 | -54.2 | 0 | 0 | 0 | 0 | 109.2 | Y300 V314 A315 R316 | T298-Y300 HydrophobicContact CG2-CE1 3.86Å; T298-Y300 HydrophobicContact CG2-CE2 4.2Å; T298-V314 HydrophobicContact CG2-CG1 3.63Å; T298-A315 CarbonylContact C-O 3.6Å; T298-A315 VanDerWaalsContact CA-O 3.31Å; T298-A315 WeakPolarHBondContact CA-O 3.5Å; T298-R316 HydrophobicContact CG2-CG 3.78Å; T298-R316 WeakPolarHBondContact OG1-CG 3.31Å |
| 299 | E | 93.4 | Very high | 83.5 | Confident | 81 Ų | 81 | 84.3 Ų | 84.3 | 38% | 0.379 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 154.4 | 170.7 | -77.5 | -63.2 | 162.5 | 0 | 0 | 111 | T291 I293 P301 A315 | T291-E299 HydrophobicContact CG2-CG 4.45Å; I293-E299 HydrophobicContact CB-CG 4.49Å; I293-E299 HydrophobicContact CD1-CB 3.93Å; I293-E299 HydrophobicContact CD1-CG 4.21Å; I293-E299 HydrophobicContact CG1-CB 4.1Å; I293-E299 HydrophobicContact CG1-CG 3.79Å; I293-E299 HydrophobicContact CG2-CG 4.23Å; E299-P301 VanDerWaalsContact O-CD 3.3Å; E299-P301 WeakPolarHBondContact O-CD 3.2Å; E299-A315 PolarHBondContact N-O 2.79Å; E299-A315 PolarHBondContact O-N 2.85Å |
| 300 | Y | 93.1 | Very high | 83.2 | Confident | 88 Ų | 88 | 88.7 Ų | 88.7 | 35% | 0.345 | 44% | 0.435 | S | S | . | . | trans | -120.5 | 70.7 | -180 | -54.5 | -81.7 | 0 | 0 | 0 | 112.7 | T298 Y312 V313 V314 W330 I333 | T298-Y300 HydrophobicContact CG2-CE1 3.86Å; T298-Y300 HydrophobicContact CG2-CE2 4.2Å; Y300-Y312 WeakPolarHBondContact O-CD1 3.49Å; Y300-V313 WeakPolarHBondContact CA-O 3.35Å; Y300-V314 HydrophobicContact CD1-CG2 4.37Å; Y300-V314 HydrophobicContact CE1-CG1 4.34Å; Y300-V314 HydrophobicContact CE1-CG2 4.17Å; Y300-W330 HydrophobicContact CD1-CZ3 4.09Å; Y300-W330 HydrophobicContact CD2-CH2 4.21Å; Y300-W330 HydrophobicContact CD2-CZ3 4.35Å; Y300-W330 HydrophobicContact CE2-CH2 4.43Å; Y300-W330 HydrophobicContact CG-CH2 4.28Å; Y300-W330 AromaticContact CG-CZ3 3.95Å; Y300-W330 HydrophobicContact CG-CZ3 3.95Å; Y300-I333 HydrophobicContact CD1-CD1 4.26Å; Y300-I333 HydrophobicContact CD1-CG2 4.23Å; Y300-I333 HydrophobicContact CE1-CG2 3.63Å | ||
| 301 | P | 92.1 | Very high | 83.3 | Confident | 20 Ų | 20 | 88.4 Ų | 88.4 | 13% | 0.13 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 141.3 | 173.9 | -17.9 | 25 | 0 | 0 | 0 | 112.1 | L277 L285 E299 Y312 V313 A315 | L277-P301 HydrophobicContact CD2-CB 4.38Å; L277-P301 HydrophobicContact CD2-CG 3.4Å; L277-P301 VanDerWaalsContact CD2-CG 3.4Å; L285-P301 HydrophobicContact CD1-CB 4.16Å; L285-P301 HydrophobicContact CD2-CB 4.16Å; E299-P301 VanDerWaalsContact O-CD 3.3Å; E299-P301 WeakPolarHBondContact O-CD 3.2Å; P301-Y312 VanDerWaalsContact O-CA 3.28Å; P301-Y312 WeakPolarHBondContact O-CA 3.44Å; P301-V313 HydrophobicContact CB-CG2 3.85Å; P301-V313 HydrophobicContact CG-CG2 3.71Å; P301-V313 PolarHBondContact O-N 3.27Å; P301-A315 HydrophobicContact CG-CB 4.3Å |
| 302 | K | 90.3 | Very high | 83.6 | Confident | 104 Ų | 104 | 88.6 Ų | 88.6 | 45% | 0.452 | 43% | 0.426 | S | S | . | . | B | Isolated β-bridge | trans | -76.7 | 138.9 | 176.8 | -77.8 | -178.7 | 179.8 | -177.3 | 0 | 111.4 | I286 Y312 | I286-K302 HydrophobicContact CD1-CB 3.82Å; I286-K302 HydrophobicContact CG1-CB 4.38Å; I286-K302 PolarHBondContact N-O 2.94Å; K302-Y312 HydrophobicContact CB-CD1 4.48Å; K302-Y312 HydrophobicContact CB-CE1 4.48Å; K302-Y312 HydrophobicContact CD-CE1 4.06Å; K302-Y312 WeakPolarHBondContact CE-OH 3.25Å; K302-Y312 HydrophobicContact CG-CD1 3.64Å; K302-Y312 HydrophobicContact CG-CE1 3.26Å |
| 303 | C | 90.1 | Very high | 83.7 | Confident | 9 Ų | 9 | 84.2 Ų | 84.2 | 6% | 0.061 | 41% | 0.407 | C | S | . | . | B | Isolated β-bridge | trans | -80.7 | 152.5 | 172.9 | -61.1 | 0 | 0 | 0 | 0 | 111.8 | D284 D305 K311 C327 | D284-C303 CarbonylContact O-C 3.46Å; D284-C303 WeakPolarHBondContact O-CA 3.44Å; D284-C303 WeakPolarHBondContact O-CB 3.19Å; C303-D305 PolarHBondContact O-N 2.94Å; C303-K311 HydrophobicContact CB-CB 4.11Å; C303-K311 PolarHBondContact N-O 3.15Å; C303-C327 HydrophobicContact CB-CB 3.93Å; C303-C327 WeakPolarHBondContact CB-SG 3.2Å; C303-C327 VanDerWaalsContact SG-CA 3.58Å; C303-C327 WeakPolarHBondContact SG-CB 3.1Å; C303-C327 CovalentContact SG-SG 2.02Å; C303-C327 PolarHBondContact SG-SG 2.84Å |
| 304 | V | 85.9 | Confident | 83.9 | Confident | 90 Ų | 90 | 84.6 Ų | 84.6 | 55% | 0.545 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 121.1 | 165.3 | -173.5 | 0 | 0 | 0 | 0 | 107.2 | D284 L285 I286 | D284-V304 PolarHBondContact O-N 3.11Å; L285-V304 VanDerWaalsContact O-CG2 3.24Å; L285-V304 WeakPolarHBondContact O-CG2 3.1Å; I286-V304 HydrophobicContact CG1-CG2 4.33Å |
| 305 | D | 74.2 | Confident | 84.1 | Confident | 60 Ų | 60 | 79.7 Ų | 79.7 | 32% | 0.321 | 39% | 0.391 | S | S | . | . | trans | -112.2 | 144.1 | 177.4 | -142.6 | -35.1 | 0 | 0 | 0 | 112.1 | C303 W307 | C303-D305 PolarHBondContact O-N 2.94Å; D305-W307 WeakPolarHBondContact CB-O 3.15Å; D305-W307 PolarHBondContact OD1-N 3.48Å | ||
| 306 | R | 57.2 | Low | 84.4 | Confident | 239 Ų | 239 | 81.5 Ų | 81.5 | 90% | 0.902 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -99.2 | -11.7 | 167.1 | -84.6 | -176.4 | 173.6 | 179.7 | -1.2 | 112 | ||
| 307 | W | 58.1 | Low | 84.6 | Confident | 208 Ų | 208 | 78.2 Ų | 78.2 | 79% | 0.788 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -124.9 | 164.3 | -177.6 | -63.4 | 85.9 | 0 | 0 | 0 | 110.7 | D305 F309 | D305-W307 WeakPolarHBondContact CB-O 3.15Å; D305-W307 PolarHBondContact OD1-N 3.48Å; W307-F309 VanDerWaalsContact C-N 3.26Å; W307-F309 PolarHBondContact O-N 2.75Å; W307-F309 VanDerWaalsContact O-N 3.07Å |
| 308 | T | 57.4 | Low | 84.5 | Confident | 136 Ų | 136 | 80.2 Ų | 80.2 | 83% | 0.834 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -76.6 | 14 | -166.6 | 37.9 | 0 | 0 | 0 | 0 | 116.6 | ||
| 309 | F | 70 | Confident | 84.2 | Confident | 150 Ų | 150 | 81.5 Ų | 81.5 | 66% | 0.658 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -109.4 | 110.2 | -176.3 | -63.3 | -72.8 | 0 | 0 | 0 | 112.4 | W307 K311 | W307-F309 VanDerWaalsContact C-N 3.26Å; W307-F309 PolarHBondContact O-N 2.75Å; W307-F309 VanDerWaalsContact O-N 3.07Å; F309-K311 PolarHBondContact O-N 2.79Å |
| 310 | N | 80.6 | Confident | 83.6 | Confident | 116 Ų | 116 | 79.6 Ų | 79.6 | 62% | 0.62 | 40% | 0.396 | S | S | * | . | trans | -54.9 | 116.1 | 178.6 | -66.8 | -44.5 | 0 | 0 | 0 | 113 | Y312 | N310-Y312 HydrophobicContact CB-CE2 3.85Š| ||
| 311 | K | 88.6 | Confident | 83.5 | Confident | 86 Ų | 86 | 85.1 Ų | 85.1 | 37% | 0.374 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 151.6 | 172.4 | -66.8 | -178.7 | -172.6 | 177.2 | 0 | 112 | C303 F309 C327 C328 | C303-K311 HydrophobicContact CB-CB 4.11Å; C303-K311 PolarHBondContact N-O 3.15Å; F309-K311 PolarHBondContact O-N 2.79Å; K311-C327 HydrophobicContact CB-CB 4.45Å; K311-C328 CarbonylContact C-O 3.53Å; K311-C328 WeakPolarHBondContact CA-O 3.44Å |
| 312 | Y | 91.6 | Very high | 83.6 | Confident | 42 Ų | 42 | 86.4 Ų | 86.4 | 17% | 0.165 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 153.8 | -175.7 | -55.9 | -94.3 | 0 | 0 | 0 | 110.8 | Y300 P301 K302 N310 C328 W330 | Y300-Y312 WeakPolarHBondContact O-CD1 3.49Å; P301-Y312 VanDerWaalsContact O-CA 3.28Å; P301-Y312 WeakPolarHBondContact O-CA 3.44Å; K302-Y312 HydrophobicContact CB-CD1 4.48Å; K302-Y312 HydrophobicContact CB-CE1 4.48Å; K302-Y312 HydrophobicContact CD-CE1 4.06Å; K302-Y312 WeakPolarHBondContact CE-OH 3.25Å; K302-Y312 HydrophobicContact CG-CD1 3.64Å; K302-Y312 HydrophobicContact CG-CE1 3.26Å; N310-Y312 HydrophobicContact CB-CE2 3.85Å; Y312-C328 PolarHBondContact N-O 2.99Å; Y312-C328 PolarHBondContact O-N 2.93Å; Y312-W330 HydrophobicContact CD2-CE3 4.05Å; Y312-W330 HydrophobicContact CE2-CE3 4.37Å; Y312-W330 HydrophobicContact CG-CE3 4.48Å |
| 313 | V | 92.3 | Very high | 83.8 | Confident | 4 Ų | 4 | 84.4 Ų | 84.4 | 2% | 0.024 | 42% | 0.421 | C | S | . | . | trans | -97.3 | 157.6 | 165.6 | -60.7 | 0 | 0 | 0 | 0 | 110.3 | L285 Y300 P301 V324 | L285-V313 HydrophobicContact CD1-CG2 4.21Å; L285-V313 HydrophobicContact CD2-CB 4.26Å; L285-V313 HydrophobicContact CD2-CG1 3.59Å; L285-V313 HydrophobicContact CD2-CG2 3.66Å; Y300-V313 WeakPolarHBondContact CA-O 3.35Å; P301-V313 HydrophobicContact CB-CG2 3.85Å; P301-V313 HydrophobicContact CG-CG2 3.71Å; P301-V313 PolarHBondContact O-N 3.27Å; V313-V324 HydrophobicContact CB-CG1 4.32Å; V313-V324 HydrophobicContact CG2-CG1 4.17Å | ||
| 314 | V | 93.8 | Very high | 83.9 | Confident | 8 Ų | 8 | 85.9 Ų | 85.9 | 5% | 0.048 | 43% | 0.43 | C | S | . | . | trans | -100 | 104.1 | 170.4 | -174.7 | 0 | 0 | 0 | 0 | 106.9 | T298 Y300 R316 S325 I333 C338 | T298-V314 HydrophobicContact CG2-CG1 3.63Å; Y300-V314 HydrophobicContact CD1-CG2 4.37Å; Y300-V314 HydrophobicContact CE1-CG1 4.34Å; Y300-V314 HydrophobicContact CE1-CG2 4.17Å; V314-R316 HydrophobicContact CG1-CG 4.02Å; V314-S325 PolarHBondContact N-OG 3.1Å; V314-S325 PolarHBondContact O-N 2.63Å; V314-I333 HydrophobicContact CG2-CD1 4.12Å; V314-I333 HydrophobicContact CG2-CG1 3.82Å; V314-I333 HydrophobicContact CG2-CG2 4.1Å; V314-C338 HydrophobicContact CG2-CB 4.29Å | ||
| 315 | A | 94.1 | Very high | 84.2 | Confident | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 109.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | L277 I293 T298 E299 P301 S323 | L277-A315 HydrophobicContact CD2-CB 4.04Å; I293-A315 HydrophobicContact CD1-CB 3.67Å; T298-A315 CarbonylContact C-O 3.6Å; T298-A315 VanDerWaalsContact CA-O 3.31Å; T298-A315 WeakPolarHBondContact CA-O 3.5Å; E299-A315 PolarHBondContact N-O 2.79Å; E299-A315 PolarHBondContact O-N 2.85Å; P301-A315 HydrophobicContact CG-CB 4.3Å; A315-S323 CarbonylContact C-O 3.45Å; A315-S323 WeakPolarHBondContact CA-O 3.37Å |
| 316 | R | 94.6 | Very high | 85 | Confident | 91 Ų | 91 | 88.7 Ų | 88.7 | 34% | 0.343 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 137.3 | -178.1 | -62.9 | -170.2 | 174.5 | 147.2 | 1.8 | 111 | T298 V314 I318 S323 | T298-R316 HydrophobicContact CG2-CG 3.78Å; T298-R316 WeakPolarHBondContact OG1-CG 3.31Å; V314-R316 HydrophobicContact CG1-CG 4.02Å; R316-I318 HydrophobicContact CB-CD1 4.25Å; R316-I318 HydrophobicContact CB-CG1 4.15Å; R316-S323 PolarHBondContact N-O 3.33Å; R316-S323 PolarHBondContact O-N 2.73Å |
| 317 | C | 93.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 79.3 Ų | 79.3 | 0% | 0 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 116.7 | 167.5 | -169.7 | 0 | 0 | 0 | 0 | 110 | F274 C275 I293 R294 N295 G296 E297 | F274-C317 VanDerWaalsContact C-SG 3.5Å; C275-C317 HydrophobicContact CB-CB 3.56Å; C275-C317 WeakPolarHBondContact CB-SG 2.99Å; C275-C317 PolarHBondContact N-SG 2.96Å; C275-C317 WeakPolarHBondContact SG-CA 2.99Å; C275-C317 WeakPolarHBondContact SG-CB 3.2Å; C275-C317 CovalentContact SG-SG 2.04Å; C275-C317 PolarHBondContact SG-SG 3.17Å; I293-C317 HydrophobicContact CB-CB 4.23Å; I293-C317 HydrophobicContact CG2-CB 3.9Å; R294-C317 WeakPolarHBondContact O-CB 3.36Å; N295-C317 PolarHBondContact OD1-O 3.03Å; G296-C317 PolarHBondContact N-O 2.57Å; E297-C317 PolarHBondContact O-N 3.11Å |
| 318 | I | 91.1 | Very high | 88 | Confident | 110 Ų | 110 | 70.3 Ų | 70.3 | 56% | 0.564 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 110.6 | -176.2 | -54.1 | 172.8 | 0 | 0 | 0 | 109 | R316 G320 R321 | R316-I318 HydrophobicContact CB-CD1 4.25Å; R316-I318 HydrophobicContact CB-CG1 4.15Å; I318-G320 PolarHBondContact O-N 2.88Å; I318-R321 PolarHBondContact N-O 3.28Å; I318-R321 WeakPolarHBondContact O-CB 3.09Å; I318-R321 PolarHBondContact O-N 3.01Å |
| 319 | G | 85.4 | Confident | 89.4 | Confident | 69 Ų | 69 | 66.1 Ų | 66.1 | 71% | 0.711 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 32.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | N295 R321 | N295-G319 WeakPolarHBondContact OD1-CA 3.34Å; N295-G319 PolarHBondContact OD1-N 2.8Å; G319-R321 PolarHBondContact O-N 2.78Å |
| 320 | G | 82.3 | Confident | 90 | Very high | 42 Ų | 42 | 64.5 Ų | 64.5 | 43% | 0.433 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.2 | 6.5 | -174 | 0 | 0 | 0 | 0 | 0 | 114.5 | N295 I318 | N295-G320 PolarHBondContact OD1-N 2.74Å; I318-G320 PolarHBondContact O-N 2.88Å |
| 321 | R | 90.6 | Very high | 90.1 | Very high | 204 Ų | 204 | 63.6 Ų | 63.6 | 77% | 0.77 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 125.3 | 174.2 | -167.1 | 175.5 | -171.2 | 172 | 2.9 | 110.6 | I318 G319 | I318-R321 PolarHBondContact N-O 3.28Å; I318-R321 WeakPolarHBondContact O-CB 3.09Å; I318-R321 PolarHBondContact O-N 3.01Å; G319-R321 PolarHBondContact O-N 2.78Å |
| 322 | L | 93.7 | Very high | 89.9 | Confident | 47 Ų | 47 | 61.6 Ų | 61.6 | 25% | 0.246 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 129.4 | 176.8 | -172.5 | 65.9 | 0 | 0 | 0 | 110.4 | C275 L277 I293 V324 | C275-L322 HydrophobicContact CB-CB 3.94Å; C275-L322 HydrophobicContact CB-CD1 3.79Å; C275-L322 HydrophobicContact CB-CG 4.41Å; C275-L322 PolarHBondContact SG-N 3.39Å; C275-L322 VanDerWaalsContact SG-N 3.4Å; L277-L322 HydrophobicContact CB-CD1 4.42Å; L277-L322 HydrophobicContact CB-CD2 4.03Å; L277-L322 HydrophobicContact CD1-CD2 3.88Å; I293-L322 HydrophobicContact CD1-CD1 3.81Å; L322-V324 HydrophobicContact CD1-CG2 4.26Å; L322-V324 HydrophobicContact CD2-CG2 3.81Å; L322-V324 HydrophobicContact CG-CG2 3.72Å |
| 323 | S | 94.2 | Very high | 89.6 | Confident | 62 Ų | 62 | 60.3 Ų | 60.3 | 43% | 0.434 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 123.8 | 170.6 | 178.6 | 0 | 0 | 0 | 0 | 108.7 | A315 R316 | A315-S323 CarbonylContact C-O 3.45Å; A315-S323 WeakPolarHBondContact CA-O 3.37Å; R316-S323 PolarHBondContact N-O 3.33Å; R316-S323 PolarHBondContact O-N 2.73Å |
| 324 | V | 92.6 | Very high | 89.1 | Confident | 40 Ų | 40 | 67.6 Ų | 67.6 | 24% | 0.242 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 124.4 | -177.9 | -170.6 | 0 | 0 | 0 | 0 | 109.2 | L277 Y282 V313 L322 | L277-V324 HydrophobicContact CD1-CG2 4.11Å; Y282-V324 HydrophobicContact CD1-CG1 4.31Å; Y282-V324 HydrophobicContact CE1-CB 4.03Å; Y282-V324 HydrophobicContact CE1-CG1 3.99Å; Y282-V324 HydrophobicContact CE1-CG2 4.04Å; V313-V324 HydrophobicContact CB-CG1 4.32Å; V313-V324 HydrophobicContact CG2-CG1 4.17Å; L322-V324 HydrophobicContact CD1-CG2 4.26Å; L322-V324 HydrophobicContact CD2-CG2 3.81Å; L322-V324 HydrophobicContact CG-CG2 3.72Å |
| 325 | S | 92.3 | Very high | 88.7 | Confident | 30 Ų | 30 | 73.3 Ų | 73.3 | 21% | 0.21 | 39% | 0.389 | C | S | . | . | trans | -80.1 | 175.7 | 175.7 | 77.8 | 0 | 0 | 0 | 0 | 112.2 | V314 C338 | V314-S325 PolarHBondContact N-OG 3.1Å; V314-S325 PolarHBondContact O-N 2.63Å; S325-C338 PolarHBondContact OG-SG 3.18Å | ||
| 326 | K | 90.4 | Very high | 88 | Confident | 178 Ų | 178 | 79.1 Ų | 79.1 | 77% | 0.774 | 42% | 0.42 | S | S | * | . | trans | -73 | 167 | 164.5 | -64 | -177.8 | -179.6 | 178.7 | 0 | 110.9 | C328 | K326-C328 PolarHBondContact O-N 3.04Å; K326-C328 PolarHBondContact O-SG 2.82Å | ||
| 327 | C | 90.1 | Very high | 87.2 | Confident | 42 Ų | 42 | 79.5 Ų | 79.5 | 28% | 0.284 | 43% | 0.432 | S | S | . | . | trans | -66 | 123.1 | 174.4 | -71.6 | 0 | 0 | 0 | 0 | 112.2 | C303 K311 | C303-C327 HydrophobicContact CB-CB 3.93Å; C303-C327 WeakPolarHBondContact CB-SG 3.2Å; C303-C327 VanDerWaalsContact SG-CA 3.58Å; C303-C327 WeakPolarHBondContact SG-CB 3.1Å; C303-C327 CovalentContact SG-SG 2.02Å; C303-C327 PolarHBondContact SG-SG 2.84Å; K311-C327 HydrophobicContact CB-CB 4.45Å | ||
| 328 | C | 88.1 | Confident | 86.1 | Confident | 19 Ų | 19 | 82.2 Ų | 82.2 | 13% | 0.128 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 159 | -174.8 | -64.2 | 0 | 0 | 0 | 0 | 111.3 | K311 Y312 K326 T332 I333 C338 | K311-C328 CarbonylContact C-O 3.53Å; K311-C328 WeakPolarHBondContact CA-O 3.44Å; Y312-C328 PolarHBondContact N-O 2.99Å; Y312-C328 PolarHBondContact O-N 2.93Å; K326-C328 PolarHBondContact O-N 3.04Å; K326-C328 PolarHBondContact O-SG 2.82Å; C328-T332 WeakPolarHBondContact CB-OG1 3.49Å; C328-I333 HydrophobicContact CB-CD1 4.34Å; C328-I333 HydrophobicContact CB-CG1 3.93Å; C328-C338 HydrophobicContact CB-CB 3.69Å; C328-C338 WeakPolarHBondContact CB-SG 3.38Å; C328-C338 WeakPolarHBondContact SG-CB 3.34Å; C328-C338 CovalentContact SG-SG 2.02Å; C328-C338 PolarHBondContact SG-SG 3.47Å |
| 329 | T | 87.3 | Confident | 85.9 | Confident | 48 Ų | 48 | 80.9 Ų | 80.9 | 29% | 0.294 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 156.6 | 169.9 | 58.7 | 0 | 0 | 0 | 0 | 110.2 | T331 T332 I333 | T329-T331 PolarHBondContact O-N 2.81Å; T329-T331 VanDerWaalsContact O-N 3.15Å; T329-T331 PolarHBondContact OG1-OG1 2.84Å; T329-T332 PolarHBondContact N-OG1 3.36Å; T329-T332 VanDerWaalsContact N-OG1 3.1Å; T329-T332 PolarHBondContact O-N 2.04Å; T329-T332 VanDerWaalsContact O-N 3.09Å; T329-T332 PolarHBondContact O-OG1 3.39Å; T329-T332 PolarHBondContact OG1-N 2.98Å; T329-T332 PolarHBondContact OG1-OG1 3.01Å; T329-I333 WeakPolarHBondContact O-CG1 3.49Å; T329-I333 PolarHBondContact O-N 3.22Å; T329-I333 VanDerWaalsContact O-N 3.15Å |
| 330 | W | 82.9 | Confident | 85.9 | Confident | 117 Ų | 117 | 81.5 Ų | 81.5 | 44% | 0.443 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -58.3 | -31.4 | 176.6 | -162.7 | -112.4 | 0 | 0 | 0 | 113.3 | Y300 Y312 I333 K334 | Y300-W330 HydrophobicContact CD1-CZ3 4.09Å; Y300-W330 HydrophobicContact CD2-CH2 4.21Å; Y300-W330 HydrophobicContact CD2-CZ3 4.35Å; Y300-W330 HydrophobicContact CE2-CH2 4.43Å; Y300-W330 HydrophobicContact CG-CH2 4.28Å; Y300-W330 AromaticContact CG-CZ3 3.95Å; Y300-W330 HydrophobicContact CG-CZ3 3.95Å; Y312-W330 HydrophobicContact CD2-CE3 4.05Å; Y312-W330 HydrophobicContact CE2-CE3 4.37Å; Y312-W330 HydrophobicContact CG-CE3 4.48Å; W330-I333 HydrophobicContact CE3-CD1 4.13Å; W330-I333 HydrophobicContact CZ3-CD1 4.48Å; W330-K334 PolarHBondContact O-N 3.27Å; W330-K334 VanDerWaalsContact O-N 3.1Å |
| 331 | T | 82.9 | Confident | 86.1 | Confident | 97 Ų | 97 | 83.7 Ų | 83.7 | 60% | 0.595 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -63.4 | -42.7 | 175.2 | 41.3 | 0 | 0 | 0 | 0 | 113 | T329 K334 L335 | T329-T331 PolarHBondContact O-N 2.81Å; T329-T331 VanDerWaalsContact O-N 3.15Å; T329-T331 PolarHBondContact OG1-OG1 2.84Å; T331-K334 PolarHBondContact O-N 3.02Å; T331-L335 WeakPolarHBondContact O-CG 3.28Å; T331-L335 PolarHBondContact O-N 3.49Å |
| 332 | T | 84.2 | Confident | 85.9 | Confident | 44 Ų | 44 | 76.6 Ų | 76.6 | 27% | 0.27 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -73.4 | -33.6 | -180 | 43.7 | 0 | 0 | 0 | 0 | 111.8 | C328 T329 L335 N336 T337 | C328-T332 WeakPolarHBondContact CB-OG1 3.49Å; T329-T332 PolarHBondContact N-OG1 3.36Å; T329-T332 VanDerWaalsContact N-OG1 3.1Å; T329-T332 PolarHBondContact O-N 2.04Å; T329-T332 VanDerWaalsContact O-N 3.09Å; T329-T332 PolarHBondContact O-OG1 3.39Å; T329-T332 PolarHBondContact OG1-N 2.98Å; T329-T332 PolarHBondContact OG1-OG1 3.01Å; T332-L335 PolarHBondContact O-N 2.9Å; T332-N336 PolarHBondContact O-N 2.71Å; T332-T337 PolarHBondContact O-N 3.47Å; T332-T337 PolarHBondContact O-OG1 2.9Å; T332-T337 VanDerWaalsContact O-OG1 3.04Å |
| 333 | I | 85.1 | Confident | 85.4 | Confident | 14 Ų | 14 | 78.4 Ų | 78.4 | 7% | 0.072 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -61.3 | -47.8 | 172.3 | -65.1 | 172.3 | 0 | 0 | 0 | 111 | Y300 V314 C328 T329 W330 L335 N336 C338 | Y300-I333 HydrophobicContact CD1-CD1 4.26Å; Y300-I333 HydrophobicContact CD1-CG2 4.23Å; Y300-I333 HydrophobicContact CE1-CG2 3.63Å; V314-I333 HydrophobicContact CG2-CD1 4.12Å; V314-I333 HydrophobicContact CG2-CG1 3.82Å; V314-I333 HydrophobicContact CG2-CG2 4.1Å; C328-I333 HydrophobicContact CB-CD1 4.34Å; C328-I333 HydrophobicContact CB-CG1 3.93Å; T329-I333 WeakPolarHBondContact O-CG1 3.49Å; T329-I333 PolarHBondContact O-N 3.22Å; T329-I333 VanDerWaalsContact O-N 3.15Å; W330-I333 HydrophobicContact CE3-CD1 4.13Å; W330-I333 HydrophobicContact CZ3-CD1 4.48Å; I333-L335 PolarHBondContact O-N 2.83Å; I333-N336 PolarHBondContact O-N 3.36Å; I333-N336 VanDerWaalsContact O-N 3.08Å; I333-C338 HydrophobicContact CG1-CB 4.22Å |
| 334 | K | 83.1 | Confident | 84.8 | Confident | 158 Ų | 158 | 79.5 Ų | 79.5 | 69% | 0.687 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -61.5 | -28.8 | 177.9 | -78.4 | -167.1 | 176.1 | -170.4 | 0 | 113.8 | W330 T331 N336 | W330-K334 PolarHBondContact O-N 3.27Å; W330-K334 VanDerWaalsContact O-N 3.1Å; T331-K334 PolarHBondContact O-N 3.02Å; K334-N336 VanDerWaalsContact C-N 3.33Å |
| 335 | L | 85.5 | Confident | 84.2 | Confident | 128 Ų | 128 | 82.4 Ų | 82.4 | 67% | 0.67 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | 2.5 | 179.2 | -67.9 | 169.5 | 0 | 0 | 0 | 113.1 | T331 T332 I333 T337 | T331-L335 WeakPolarHBondContact O-CG 3.28Å; T331-L335 PolarHBondContact O-N 3.49Å; T332-L335 PolarHBondContact O-N 2.9Å; I333-L335 PolarHBondContact O-N 2.83Å; L335-T337 HydrophobicContact CB-CG2 4.19Å; L335-T337 PolarHBondContact O-N 3.06Å |
| 336 | N | 78.4 | Confident | 83.6 | Confident | 121 Ų | 121 | 86.4 Ų | 86.4 | 65% | 0.647 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 35.7 | -172.9 | -69.4 | -39 | 0 | 0 | 0 | 113.2 | T332 I333 K334 | T332-N336 PolarHBondContact O-N 2.71Å; I333-N336 PolarHBondContact O-N 3.36Å; I333-N336 VanDerWaalsContact O-N 3.08Å; K334-N336 VanDerWaalsContact C-N 3.33Å |
| 337 | T | 77.4 | Confident | 83 | Confident | 99 Ų | 99 | 78.8 Ų | 78.8 | 61% | 0.607 | 42% | 0.424 | S | S | * | . | trans | -107.5 | 12.9 | 178.7 | 50.7 | 0 | 0 | 0 | 0 | 112.5 | T332 L335 | T332-T337 PolarHBondContact O-N 3.47Å; T332-T337 PolarHBondContact O-OG1 2.9Å; T332-T337 VanDerWaalsContact O-OG1 3.04Å; L335-T337 HydrophobicContact CB-CG2 4.19Å; L335-T337 PolarHBondContact O-N 3.06Å | ||
| 338 | C | 71.6 | Confident | 82.4 | Confident | 58 Ų | 58 | 82.1 Ų | 82.1 | 39% | 0.392 | 44% | 0.437 | S | S | . | . | trans | -106.6 | 0 | 167.4 | -168.7 | 0 | 0 | 0 | 0 | 107.5 | V314 S325 C328 I333 | V314-C338 HydrophobicContact CG2-CB 4.29Å; S325-C338 PolarHBondContact OG-SG 3.18Å; C328-C338 HydrophobicContact CB-CB 3.69Å; C328-C338 WeakPolarHBondContact CB-SG 3.38Å; C328-C338 WeakPolarHBondContact SG-CB 3.34Å; C328-C338 CovalentContact SG-SG 2.02Å; C328-C338 PolarHBondContact SG-SG 3.47Å; I333-C338 HydrophobicContact CG1-CB 4.22Å |
Retrieved 338 of 338 residues in 54.8 ms
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