| 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 | 26.5 | Very low | 29 | Very low | 239 Ų | 239 | 161.4 Ų | 161.4 | 100% | 1.177 | 83% | 0.828 | S | S | * | * | 0 | 97.5 | 0 | -163.2 | 163.7 | 158.5 | 0 | 0 | 108.1 | |||||
| 2 | K | 24.2 | Very low | 29.6 | Very low | 210 Ų | 210 | 162.6 Ų | 162.6 | 91% | 0.913 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 119.2 | -178.9 | -84.7 | -177.2 | 177.9 | 177.9 | 0 | 109.7 | ||
| 3 | V | 25.8 | Very low | 29.6 | Very low | 128 Ų | 128 | 158 Ų | 158 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -81 | 129.5 | 179.8 | 176 | 0 | 0 | 0 | 0 | 109.2 | ||
| 4 | W | 26.8 | Very low | 29.6 | Very low | 158 Ų | 158 | 152.4 Ų | 152.4 | 60% | 0.598 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 116.4 | 173.6 | -90.3 | 101.1 | 0 | 0 | 0 | 110.7 | R23 | W4-R23 HydrophobicContact CZ2-CG 4.43Š|
| 5 | Q | 24.8 | Very low | 29.7 | Very low | 166 Ų | 166 | 146.9 Ų | 146.9 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 138.3 | 166.7 | -74.9 | 173.3 | -23.5 | 0 | 0 | 110.2 | ||
| 6 | P | 31.7 | Very low | 29.5 | Very low | 123 Ų | 123 | 141.9 Ų | 141.9 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -80 | 125.4 | 170.3 | 28.1 | -24.2 | 0 | 0 | 0 | 110.2 | R8 | P6-R8 PolarHBondContact O-N 2.77Š|
| 7 | H | 34.5 | Very low | 29.6 | Very low | 185 Ų | 185 | 138 Ų | 138 | 86% | 0.856 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 118.9 | 167.7 | -104.4 | -84.2 | 0 | 0 | 0 | 109.6 | ||
| 8 | R | 28.1 | Very low | 29.6 | Very low | 248 Ų | 248 | 134.4 Ų | 134.4 | 94% | 0.936 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 124.3 | 162.7 | -80.3 | -175.5 | -79 | -159.3 | -4 | 108.4 | P6 | P6-R8 PolarHBondContact O-N 2.77Š|
| 9 | G | 30.8 | Very low | 29.8 | Very low | 77 Ų | 77 | 136.9 Ų | 136.9 | 79% | 0.794 | 73% | 0.725 | S | S | * | * | trans | 149.4 | 78.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 10 | A | 35 | Very low | 30.2 | Very low | 68 Ų | 68 | 137.6 Ų | 137.6 | 56% | 0.562 | 73% | 0.729 | S | S | * | * | trans | 168.5 | 116 | 141.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | Y12 | A10-Y12 HydrophobicContact CB-CD2 3.79Å; A10-Y12 HydrophobicContact CB-CE2 3.33Å; A10-Y12 PolarHBondContact O-N 3.36Å | ||
| 11 | N | 30.6 | Very low | 30.7 | Very low | 173 Ų | 173 | 141.6 Ų | 141.6 | 93% | 0.925 | 73% | 0.734 | S | S | * | * | trans | -56.5 | 116.6 | 165.6 | -83.4 | -25.9 | 0 | 0 | 0 | 108.8 | ||||
| 12 | Y | 37.1 | Very low | 31.6 | Very low | 176 Ų | 176 | 134.5 Ų | 134.5 | 69% | 0.69 | 70% | 0.696 | S | S | * | * | trans | -126.6 | 130.1 | 164.6 | -74.6 | -75.6 | 0 | 0 | 0 | 109.2 | A10 | A10-Y12 HydrophobicContact CB-CD2 3.79Å; A10-Y12 HydrophobicContact CB-CE2 3.33Å; A10-Y12 PolarHBondContact O-N 3.36Å | ||
| 13 | P | 29.3 | Very low | 32.8 | Very low | 103 Ų | 103 | 131.7 Ų | 131.7 | 67% | 0.669 | 68% | 0.68 | S | S | * | * | trans | -64.3 | 146.6 | -178.8 | 26 | -32.1 | 0 | 0 | 0 | 111.3 | G15 T16 | P13-G15 PolarHBondContact O-N 3.37Å; P13-T16 PolarHBondContact O-OG1 2.83Å | ||
| 14 | A | 29.7 | Very low | 34.2 | Very low | 79 Ų | 79 | 129.1 Ų | 129.1 | 65% | 0.653 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | 106 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 15 | G | 30.4 | Very low | 35.3 | Very low | 71 Ų | 71 | 127.2 Ų | 127.2 | 73% | 0.732 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 154.5 | -18 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | P13 | P13-G15 PolarHBondContact O-N 3.37Š|
| 16 | T | 27 | Very low | 36.8 | Very low | 67 Ų | 67 | 121.2 Ų | 121.2 | 41% | 0.411 | 66% | 0.655 | S | S | . | * | trans | -84.3 | 122.1 | -178.9 | 32.3 | 0 | 0 | 0 | 0 | 113.8 | P13 R75 | P13-T16 PolarHBondContact O-OG1 2.83Å; T16-R75 PolarHBondContact O-NH2 2.87Å; T16-R75 VanDerWaalsContact O-NH2 3.11Å | ||
| 17 | T | 30.4 | Very low | 37.7 | Very low | 75 Ų | 75 | 117.5 Ų | 117.5 | 46% | 0.46 | 64% | 0.639 | S | S | . | * | trans | -51.4 | 131.1 | 176.1 | -28.7 | 0 | 0 | 0 | 0 | 111.7 | Y19 P43 | T17-Y19 PolarHBondContact O-N 2.81Å; T17-P43 HydrophobicContact CG2-CB 3.76Å; T17-P43 HydrophobicContact CG2-CG 4.19Å | ||
| 18 | E | 30.4 | Very low | 38.7 | Very low | 74 Ų | 74 | 114.8 Ų | 114.8 | 35% | 0.346 | 64% | 0.638 | S | S | . | * | trans | -78.6 | 105.5 | -179.2 | -154.4 | 148.5 | -124.7 | 0 | 0 | 109.4 | L20 R75 W81 | E18-L20 PolarHBondContact O-N 2.93Å; E18-R75 VanDerWaalsContact OE1-CD 3.3Å; E18-R75 WeakPolarHBondContact OE1-CD 3.4Å; E18-R75 IonicContact OE1-CZ 2.77Å; E18-R75 IonicContact OE1-NE 2.87Å; E18-R75 IonicContact OE1-NH1 3.55Å; E18-R75 PolarHBondContact OE1-NH1 3.33Å; E18-R75 VanDerWaalsContact OE2-CB 3.28Å; E18-R75 WeakPolarHBondContact OE2-CB 3.31Å; E18-R75 IonicContact OE2-CZ 3.7Å; E18-R75 IonicContact OE2-NE 3.37Å; E18-R75 IonicContact OE2-NH1 3.79Å; E18-W81 HydrophobicContact CG-CH2 3.76Å; E18-W81 HydrophobicContact CG-CZ2 3.87Å; E18-W81 WeakPolarHBondContact OE1-CH2 3.35Å; E18-W81 WeakPolarHBondContact OE1-CZ2 3.07Å; E18-W81 WeakPolarHBondContact OE2-CH2 3.37Å; E18-W81 VanDerWaalsContact OE2-CZ2 3.24Å; E18-W81 WeakPolarHBondContact OE2-CZ2 3.35Å; E18-W81 WeakPolarHBondContact OE2-CZ3 3.47Å | ||
| 19 | Y | 34 | Very low | 40.3 | Very low | 181 Ų | 181 | 110.5 Ų | 110.5 | 71% | 0.71 | 63% | 0.633 | S | S | * | * | trans | -43.5 | 139 | 170.7 | -58.7 | -92.4 | 0 | 0 | 0 | 110.7 | T17 R21 | T17-Y19 PolarHBondContact O-N 2.81Å; Y19-R21 PolarHBondContact O-N 2.81Å | ||
| 20 | L | 37.2 | Very low | 42.2 | Very low | 151 Ų | 151 | 108.3 Ų | 108.3 | 79% | 0.791 | 61% | 0.606 | S | S | * | * | trans | -63.2 | 76 | 154.2 | -84 | 166.4 | 0 | 0 | 0 | 107.7 | E18 K22 A39 | E18-L20 PolarHBondContact O-N 2.93Å; L20-K22 VanDerWaalsContact C-N 3.31Å; L20-K22 PolarHBondContact O-N 2.94Å; L20-A39 HydrophobicContact CD1-CB 4.34Å | ||
| 21 | R | 40.2 | Very low | 44.4 | Very low | 221 Ų | 221 | 108.1 Ų | 108.1 | 83% | 0.834 | 60% | 0.598 | S | S | * | * | trans | -74.6 | 90.3 | 175.8 | -176.6 | 176.8 | -85 | -171.9 | -5.5 | 107.1 | Y19 R23 | Y19-R21 PolarHBondContact O-N 2.81Å; R21-R23 PolarHBondContact O-N 3.02Å | ||
| 22 | K | 45.9 | Very low | 47 | Very low | 90 Ų | 90 | 103.1 Ų | 103.1 | 39% | 0.391 | 57% | 0.573 | S | S | . | * | trans | -71.2 | 112.5 | 176.3 | -160.7 | -171.2 | -167.4 | 170.8 | 0 | 109.5 | L20 I24 L37 | L20-K22 VanDerWaalsContact C-N 3.31Å; L20-K22 PolarHBondContact O-N 2.94Å; K22-I24 HydrophobicContact CD-CD1 3.85Å; K22-I24 HydrophobicContact CD-CG1 3.48Å; K22-I24 VanDerWaalsContact CD-CG1 3.48Å; K22-I24 VanDerWaalsContact CE-CG1 3.48Å; K22-I24 HydrophobicContact CG-CD1 4.5Å; K22-I24 HydrophobicContact CG-CG1 3.89Å; K22-L37 HydrophobicContact CD-CB 3.85Å; K22-L37 HydrophobicContact CD-CD2 3.54Å; K22-L37 HydrophobicContact CD-CG 4.3Å; K22-L37 HydrophobicContact CG-CD2 4.33Å | ||
| 23 | R | 48.6 | Very low | 49.4 | Very low | 152 Ų | 152 | 100.7 Ų | 100.7 | 57% | 0.574 | 56% | 0.563 | S | S | * | * | trans | -89.8 | 112.1 | 150.7 | -96.7 | -171.8 | -156.3 | -95.6 | 3.5 | 108.1 | W4 R21 S25 | W4-R23 HydrophobicContact CZ2-CG 4.43Å; R21-R23 PolarHBondContact O-N 3.02Å; R23-S25 PolarHBondContact O-N 3.21Å; R23-S25 VanDerWaalsContact O-N 3.14Å | ||
| 24 | I | 55.9 | Low | 52.1 | Low | 74 Ų | 74 | 97 Ų | 97 | 38% | 0.379 | 54% | 0.538 | S | S | . | . | trans | -78.3 | 97.6 | 166.9 | -61 | 139.6 | 0 | 0 | 0 | 105.7 | K22 G26 V34 | K22-I24 HydrophobicContact CD-CD1 3.85Å; K22-I24 HydrophobicContact CD-CG1 3.48Å; K22-I24 VanDerWaalsContact CD-CG1 3.48Å; K22-I24 VanDerWaalsContact CE-CG1 3.48Å; K22-I24 HydrophobicContact CG-CD1 4.5Å; K22-I24 HydrophobicContact CG-CG1 3.89Å; I24-G26 PolarHBondContact O-N 2.84Å; I24-V34 HydrophobicContact CD1-CB 3.9Å; I24-V34 HydrophobicContact CD1-CG1 4.2Å; I24-V34 WeakPolarHBondContact CD1-O 3.45Å; I24-V34 HydrophobicContact CG1-CB 4.06Å; I24-V34 HydrophobicContact CG2-CB 4.43Å | ||
| 25 | S | 49.7 | Very low | 54.9 | Low | 117 Ų | 117 | 96.3 Ų | 96.3 | 82% | 0.818 | 52% | 0.524 | S | S | * | . | trans | -77.3 | 81.5 | 170.8 | 38.4 | 0 | 0 | 0 | 0 | 108.7 | R23 | R23-S25 PolarHBondContact O-N 3.21Å; R23-S25 VanDerWaalsContact O-N 3.14Å | ||
| 26 | G | 55.2 | Low | 57.8 | Low | 41 Ų | 41 | 95.8 Ų | 95.8 | 42% | 0.423 | 50% | 0.502 | S | S | . | . | trans | -140.5 | 134.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109 | I24 | I24-G26 PolarHBondContact O-N 2.84Š| ||
| 27 | G | 51.9 | Low | 60.7 | Low | 45 Ų | 45 | 95.9 Ų | 95.9 | 46% | 0.464 | 50% | 0.5 | S | S | . | . | trans | -76.5 | 175.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | D29 S30 | G27-D29 PolarHBondContact O-N 2.76Å; G27-D29 VanDerWaalsContact O-N 3.12Å; G27-S30 WeakPolarHBondContact O-CB 3.18Å; G27-S30 PolarHBondContact O-N 3.07Å; G27-S30 PolarHBondContact O-OG 3.07Å | ||
| 28 | P | 55 | Low | 63.5 | Low | 128 Ų | 128 | 96.2 Ų | 96.2 | 83% | 0.831 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -28.5 | 172.9 | 22.2 | -31.8 | 0 | 0 | 0 | 112.6 | S30 | P28-S30 VanDerWaalsContact C-N 3.3Å; P28-S30 PolarHBondContact O-N 3.18Å |
| 29 | D | 61.9 | Low | 66.2 | Low | 157 Ų | 157 | 94.2 Ų | 94.2 | 84% | 0.84 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | 13.7 | 179.4 | -48.3 | -47.5 | 0 | 0 | 0 | 114 | G27 T31 | G27-D29 PolarHBondContact O-N 2.76Å; G27-D29 VanDerWaalsContact O-N 3.12Å; D29-T31 PolarHBondContact O-N 3.35Å |
| 30 | S | 71.4 | Confident | 68.9 | Low | 31 Ų | 31 | 89.2 Ų | 89.2 | 22% | 0.217 | 48% | 0.475 | C | S | . | . | trans | -71.9 | 130.1 | 177.6 | 53.6 | 0 | 0 | 0 | 0 | 111.3 | G27 P28 V32 | G27-S30 WeakPolarHBondContact O-CB 3.18Å; G27-S30 PolarHBondContact O-N 3.07Å; G27-S30 PolarHBondContact O-OG 3.07Å; P28-S30 VanDerWaalsContact C-N 3.3Å; P28-S30 PolarHBondContact O-N 3.18Å; S30-V32 PolarHBondContact O-N 3.07Å | ||
| 31 | T | 81.2 | Confident | 71.4 | Confident | 65 Ų | 65 | 84.7 Ų | 84.7 | 40% | 0.399 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -57 | -30.9 | 176.3 | -53.9 | 0 | 0 | 0 | 0 | 112.9 | D29 I58 S59 V60 | D29-T31 PolarHBondContact O-N 3.35Å; T31-I58 WeakPolarHBondContact O-CA 3.5Å; T31-S59 WeakPolarHBondContact CA-OG 3.37Å; T31-S59 PolarHBondContact O-N 2.78Å; T31-S59 PolarHBondContact O-OG 2.94Å; T31-V60 HydrophobicContact CG2-CB 3.9Å; T31-V60 WeakPolarHBondContact CG2-O 3.4Å |
| 32 | V | 84.7 | Confident | 73.1 | Confident | 68 Ų | 68 | 78.4 Ų | 78.4 | 41% | 0.412 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 109.6 | 179.5 | -178.1 | 0 | 0 | 0 | 0 | 108.4 | S30 V34 V56 N57 I58 | S30-V32 PolarHBondContact O-N 3.07Å; V32-V34 HydrophobicContact CG1-CG2 4.46Å; V32-V56 HydrophobicContact CG1-CG2 3.47Å; V32-V56 VanDerWaalsContact CG1-CG2 3.47Å; V32-N57 WeakPolarHBondContact CA-O 3.35Å; V32-I58 HydrophobicContact CG1-CG1 4.48Å; V32-I58 HydrophobicContact CG2-CG1 4.37Å |
| 33 | R | 86.3 | Confident | 74.8 | Confident | 124 Ų | 124 | 78 Ų | 78 | 47% | 0.468 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 114.1 | 175.8 | -168.2 | -173.6 | 77 | 162.6 | 2.1 | 109.3 | D35 V56 N57 | R33-D35 IonicContact CZ-OD1 3.62Å; R33-D35 IonicContact CZ-OD2 3.65Å; R33-D35 IonicContact NE-OD1 3.72Å; R33-D35 PolarHBondContact NE-OD1 3.24Å; R33-D35 IonicContact NE-OD2 3.85Å; R33-D35 VanDerWaalsContact NH2-CG 3.32Å; R33-D35 IonicContact NH2-OD1 2.92Å; R33-D35 PolarHBondContact NH2-OD1 3.49Å; R33-D35 VanDerWaalsContact NH2-OD1 3.14Å; R33-D35 IonicContact NH2-OD2 3.89Å; R33-D35 PolarHBondContact NH2-OD2 3.4Å; R33-V56 CarbonylContact O-C 3.22Å; R33-V56 WeakPolarHBondContact O-CA 2.97Å; R33-V56 WeakPolarHBondContact O-CG2 3.31Å; R33-N57 HydrophobicContact CB-CB 4.37Å; R33-N57 PolarHBondContact N-O 2.89Å; R33-N57 PolarHBondContact O-N 2.86Å |
| 34 | V | 87.7 | Confident | 76.3 | Confident | 25 Ų | 25 | 74.6 Ų | 74.6 | 15% | 0.152 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 116.7 | 175.5 | -176.7 | 0 | 0 | 0 | 0 | 109 | I24 V32 H36 L37 L54 V56 | I24-V34 HydrophobicContact CD1-CB 3.9Å; I24-V34 HydrophobicContact CD1-CG1 4.2Å; I24-V34 WeakPolarHBondContact CD1-O 3.45Å; I24-V34 HydrophobicContact CG1-CB 4.06Å; I24-V34 HydrophobicContact CG2-CB 4.43Å; V32-V34 HydrophobicContact CG1-CG2 4.46Å; V34-H36 WeakPolarHBondContact CG1-O 3.5Å; V34-L37 HydrophobicContact CG1-CB 4.38Å; V34-L54 HydrophobicContact CG1-CD1 3.61Å; V34-V56 HydrophobicContact CG2-CB 4.39Å; V34-V56 HydrophobicContact CG2-CG2 3.91Å |
| 35 | D | 88.7 | Confident | 77.4 | Confident | 66 Ų | 66 | 77.3 Ų | 77.3 | 35% | 0.353 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -31.3 | -177.6 | -64.9 | -16.3 | 0 | 0 | 0 | 111.5 | R33 R55 Y116 | R33-D35 IonicContact CZ-OD1 3.62Å; R33-D35 IonicContact CZ-OD2 3.65Å; R33-D35 IonicContact NE-OD1 3.72Å; R33-D35 PolarHBondContact NE-OD1 3.24Å; R33-D35 IonicContact NE-OD2 3.85Å; R33-D35 VanDerWaalsContact NH2-CG 3.32Å; R33-D35 IonicContact NH2-OD1 2.92Å; R33-D35 PolarHBondContact NH2-OD1 3.49Å; R33-D35 VanDerWaalsContact NH2-OD1 3.14Å; R33-D35 IonicContact NH2-OD2 3.89Å; R33-D35 PolarHBondContact NH2-OD2 3.4Å; D35-R55 HydrophobicContact CB-CB 4.39Å; D35-R55 PolarHBondContact N-O 2.91Å; D35-Y116 WeakPolarHBondContact OD2-CE2 3.4Å |
| 36 | H | 89.3 | Confident | 78.9 | Confident | 60 Ų | 60 | 75.1 Ų | 75.1 | 28% | 0.278 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 139 | 179.4 | -172.2 | 77.4 | 0 | 0 | 0 | 110.7 | V34 Q38 L54 R55 | V34-H36 WeakPolarHBondContact CG1-O 3.5Å; H36-Q38 PolarHBondContact NE2-OE1 3.42Å; H36-L54 WeakPolarHBondContact O-CA 2.87Å; H36-L54 WeakPolarHBondContact O-CD1 3.45Å; H36-R55 HydrophobicContact CB-CB 3.82Å; H36-R55 HydrophobicContact CB-CG 3.95Å; H36-R55 PolarHBondContact N-O 2.02Å; H36-R55 PolarHBondContact O-N 2.82Å |
| 37 | L | 89 | Confident | 80.4 | Confident | 69 Ų | 69 | 77.5 Ų | 77.5 | 36% | 0.361 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 121.3 | 169.1 | 178.8 | 77.9 | 0 | 0 | 0 | 108.1 | K22 V34 L52 T53 L54 | K22-L37 HydrophobicContact CD-CB 3.85Å; K22-L37 HydrophobicContact CD-CD2 3.54Å; K22-L37 HydrophobicContact CD-CG 4.3Å; K22-L37 HydrophobicContact CG-CD2 4.33Å; V34-L37 HydrophobicContact CG1-CB 4.38Å; L37-L52 HydrophobicContact CD1-CD1 3.67Å; L37-T53 CarbonylContact C-O 3.53Å; L37-T53 WeakPolarHBondContact CA-O 3.34Å; L37-L54 HydrophobicContact CD1-CB 4.33Å; L37-L54 HydrophobicContact CD1-CD1 3.95Å |
| 38 | Q | 89.5 | Confident | 82.1 | Confident | 82 Ų | 82 | 76.2 Ų | 76.2 | 38% | 0.383 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 139.6 | 173.4 | 178.7 | 166.7 | -5.2 | 0 | 0 | 109 | H36 E40 L52 T53 | H36-Q38 PolarHBondContact NE2-OE1 3.42Å; Q38-E40 HydrophobicContact CG-CG 4.22Å; Q38-E40 PolarHBondContact NE2-OE1 3.16Å; Q38-L52 WeakPolarHBondContact O-CA 3.48Å; Q38-T53 PolarHBondContact N-O 2.81Å; Q38-T53 PolarHBondContact O-N 2.72Å |
| 39 | A | 87.8 | Confident | 83.7 | Confident | 31 Ų | 31 | 75 Ų | 75 | 26% | 0.256 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 124.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 108 | L20 L50 R51 | L20-A39 HydrophobicContact CD1-CB 4.34Å; A39-L50 HydrophobicContact CB-CD1 3.82Å; A39-R51 CarbonylContact C-O 3.56Å; A39-R51 WeakPolarHBondContact CA-O 3.42Å |
| 40 | E | 88.9 | Confident | 85 | Confident | 77 Ų | 77 | 68.8 Ų | 68.8 | 36% | 0.36 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 143.7 | -178 | -62 | -179.2 | 162.8 | 0 | 0 | 110.4 | Q38 L50 R51 | Q38-E40 HydrophobicContact CG-CG 4.22Å; Q38-E40 PolarHBondContact NE2-OE1 3.16Å; E40-L50 CarbonylContact O-C 3.53Å; E40-L50 WeakPolarHBondContact O-CA 3.41Å; E40-R51 HydrophobicContact CB-CB 4.38Å; E40-R51 PolarHBondContact N-O 3.14Å; E40-R51 PolarHBondContact O-N 2.7Å |
| 41 | P | 90.1 | Very high | 86 | Confident | 56 Ų | 56 | 72.5 Ų | 72.5 | 36% | 0.364 | 39% | 0.393 | S | S | . | . | S | Bend | cis | -77.4 | 170.4 | -0.4 | 32.9 | -35.5 | 0 | 0 | 0 | 113.1 | P43 I49 | P41-P43 CarbonylContact C-O 3.54Å; P41-P43 CarbonylContact O-C 3.57Å; P41-I49 WeakPolarHBondContact CD-O 3.37Å |
| 42 | S | 76.2 | Confident | 86.5 | Confident | 89 Ų | 89 | 70.6 Ų | 70.6 | 62% | 0.622 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -128.6 | 120.4 | 171.9 | -166.3 | 0 | 0 | 0 | 0 | 109.7 | ||
| 43 | P | 81.2 | Confident | 86.8 | Confident | 80 Ų | 80 | 68.3 Ų | 68.3 | 52% | 0.519 | 37% | 0.366 | S | S | . | . | S | Bend | cis | -62.5 | 156.6 | -2.6 | 28 | -34 | 0 | 0 | 0 | 112.7 | T17 P41 | T17-P43 HydrophobicContact CG2-CB 3.76Å; T17-P43 HydrophobicContact CG2-CG 4.19Å; P41-P43 CarbonylContact C-O 3.54Å; P41-P43 CarbonylContact O-C 3.57Å |
| 44 | L | 80.5 | Confident | 87.1 | Confident | 81 Ų | 81 | 63.2 Ų | 63.2 | 42% | 0.424 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 127.2 | 178.4 | -170.4 | 62.6 | 0 | 0 | 0 | 110.3 | V46 L50 L125 | L44-V46 HydrophobicContact CG-CG2 4.38Å; L44-L50 HydrophobicContact CD1-CB 4.15Å; L44-L50 HydrophobicContact CD1-CD1 3.64Å; L44-L50 HydrophobicContact CD1-CG 4.4Å; L44-L125 HydrophobicContact CD1-CD1 3.57Å; L44-L125 HydrophobicContact CD2-CD1 3.49Å; L44-L125 VanDerWaalsContact CD2-CD1 3.49Å; L44-L125 HydrophobicContact CG-CD1 3.53Å |
| 45 | E | 79.3 | Confident | 87.2 | Confident | 131 Ų | 131 | 67.4 Ų | 67.4 | 61% | 0.612 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -89.5 | 130 | 176.1 | -63.1 | -178 | -178.3 | 0 | 0 | 110.3 | ||
| 46 | V | 81.1 | Confident | 87.3 | Confident | 72 Ų | 72 | 64.4 Ų | 64.4 | 44% | 0.436 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -133.1 | 123.7 | 177.9 | -175 | 0 | 0 | 0 | 0 | 109.5 | L44 L125 P128 | L44-V46 HydrophobicContact CG-CG2 4.38Å; V46-L125 HydrophobicContact CG2-CD1 4.04Å; V46-P128 HydrophobicContact CG1-CG 4.3Å |
| 47 | P | 85.8 | Confident | 87.4 | Confident | 91 Ų | 91 | 64.1 Ų | 64.1 | 59% | 0.591 | 35% | 0.346 | S | S | * | . | S | Bend | cis | -66.6 | 152.9 | -7.9 | 31.7 | -35.6 | 0 | 0 | 0 | 111.5 | L125 | P47-L125 CarbonylContact C-O 3.55Å; P47-L125 WeakPolarHBondContact CA-O 3.32Å; P47-L125 VanDerWaalsContact CB-O 3.28Å; P47-L125 WeakPolarHBondContact CB-O 3.04Å |
| 48 | G | 88.4 | Confident | 87.5 | Confident | 18 Ų | 18 | 61.1 Ų | 61.1 | 19% | 0.186 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.1 | -172.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L125 | G48-L125 PolarHBondContact N-O 3.44Å; G48-L125 PolarHBondContact O-N 3.18Å |
| 49 | I | 88.8 | Confident | 87.4 | Confident | 103 Ų | 103 | 60.5 Ų | 60.5 | 53% | 0.528 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 126.9 | 177 | -62.8 | 176.5 | 0 | 0 | 0 | 108.6 | P41 T122 L124 | P41-I49 WeakPolarHBondContact CD-O 3.37Å; I49-T122 HydrophobicContact CG2-CG2 3.16Å; I49-L124 HydrophobicContact CG1-CD2 3.93Å |
| 50 | L | 89.9 | Confident | 87.5 | Confident | 26 Ų | 26 | 63 Ų | 63 | 14% | 0.136 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 119.7 | 172.6 | 169.9 | 66.2 | 0 | 0 | 0 | 109.5 | A39 E40 L44 T122 F123 L125 | A39-L50 HydrophobicContact CB-CD1 3.82Å; E40-L50 CarbonylContact O-C 3.53Å; E40-L50 WeakPolarHBondContact O-CA 3.41Å; L44-L50 HydrophobicContact CD1-CB 4.15Å; L44-L50 HydrophobicContact CD1-CD1 3.64Å; L44-L50 HydrophobicContact CD1-CG 4.4Å; L50-T122 CarbonylContact O-C 3.53Å; L50-T122 WeakPolarHBondContact O-CA 3.47Å; L50-F123 HydrophobicContact CB-CB 4.44Å; L50-F123 PolarHBondContact N-O 2.79Å; L50-F123 PolarHBondContact O-N 3.36Å; L50-L125 HydrophobicContact CB-CD1 3.78Å; L50-L125 HydrophobicContact CB-CD2 4.18Å; L50-L125 HydrophobicContact CB-CG 3.79Å; L50-L125 HydrophobicContact CD2-CD1 4.42Å; L50-L125 HydrophobicContact CD2-CD2 4.08Å |
| 51 | R | 92.2 | Very high | 87.5 | Confident | 108 Ų | 108 | 62.7 Ų | 62.7 | 41% | 0.408 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 123.8 | 162.9 | -173.9 | -179.2 | 178.5 | -174.6 | 2 | 109.4 | A39 E40 D120 E121 | A39-R51 CarbonylContact C-O 3.56Å; A39-R51 WeakPolarHBondContact CA-O 3.42Å; E40-R51 HydrophobicContact CB-CB 4.38Å; E40-R51 PolarHBondContact N-O 3.14Å; E40-R51 PolarHBondContact O-N 2.7Å; R51-D120 IonicContact CZ-OD1 2.72Å; R51-D120 IonicContact CZ-OD2 3.73Å; R51-D120 IonicContact NE-OD1 3.49Å; R51-D120 PolarHBondContact NE-OD1 3.49Å; R51-D120 IonicContact NE-OD2 3.15Å; R51-D120 IonicContact NH2-OD1 2.94Å; R51-D120 PolarHBondContact NH2-OD1 2.93Å; R51-D120 IonicContact NH2-OD2 3.14Å; R51-D120 PolarHBondContact NH2-OD2 3.14Å; R51-E121 WeakPolarHBondContact CA-O 3.12Å |
| 52 | L | 90.7 | Very high | 87.3 | Confident | 26 Ų | 26 | 61.8 Ų | 61.8 | 14% | 0.136 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 116.4 | 179.4 | -177.8 | 72.3 | 0 | 0 | 0 | 109.8 | L37 Q38 L54 L107 D120 E121 F123 | L37-L52 HydrophobicContact CD1-CD1 3.67Å; Q38-L52 WeakPolarHBondContact O-CA 3.48Å; L52-L54 HydrophobicContact CG-CB 4.47Å; L52-L107 HydrophobicContact CD2-CD2 4.04Å; L52-D120 WeakPolarHBondContact O-CA 3.49Å; L52-E121 PolarHBondContact N-O 3Å; L52-E121 PolarHBondContact O-N 3.22Å; L52-F123 HydrophobicContact CB-CD2 4.14Å; L52-F123 HydrophobicContact CB-CE2 3.88Å; L52-F123 HydrophobicContact CD2-CE2 4.1Å |
| 53 | T | 91.7 | Very high | 87.9 | Confident | 20 Ų | 20 | 61.5 Ų | 61.5 | 12% | 0.123 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 113.9 | 170.1 | -46.9 | 0 | 0 | 0 | 0 | 109.1 | L37 Q38 I119 D120 | L37-T53 CarbonylContact C-O 3.53Å; L37-T53 WeakPolarHBondContact CA-O 3.34Å; Q38-T53 PolarHBondContact N-O 2.81Å; Q38-T53 PolarHBondContact O-N 2.72Å; T53-I119 CarbonylContact C-O 3.52Å; T53-I119 VanDerWaalsContact CA-O 3.31Å; T53-I119 WeakPolarHBondContact CA-O 3.4Å; T53-D120 PolarHBondContact OG1-OD1 2.7Å |
| 54 | L | 91.3 | Very high | 88.3 | Confident | 16 Ų | 16 | 66.2 Ų | 66.2 | 8% | 0.084 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 124.3 | -174.3 | 170.3 | 61.8 | 0 | 0 | 0 | 110.2 | V34 H36 L37 L52 V56 F108 I119 | V34-L54 HydrophobicContact CG1-CD1 3.61Å; H36-L54 WeakPolarHBondContact O-CA 2.87Å; H36-L54 WeakPolarHBondContact O-CD1 3.45Å; L37-L54 HydrophobicContact CD1-CB 4.33Å; L37-L54 HydrophobicContact CD1-CD1 3.95Å; L52-L54 HydrophobicContact CG-CB 4.47Å; L54-V56 HydrophobicContact CD1-CB 4.3Å; L54-V56 HydrophobicContact CG-CG1 4.33Å; L54-F108 HydrophobicContact CD2-CZ 4.09Å; L54-I119 HydrophobicContact CB-CB 4.23Å; L54-I119 HydrophobicContact CD2-CD1 4Å; L54-I119 HydrophobicContact CG-CD1 4.37Å; L54-I119 PolarHBondContact N-O 3Å; L54-I119 PolarHBondContact O-N 2.75Å |
| 55 | R | 91.8 | Very high | 88.7 | Confident | 114 Ų | 114 | 66.6 Ų | 66.6 | 43% | 0.43 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 119.7 | 169.6 | -58.5 | 178.4 | -176.1 | 157.7 | 2.7 | 109.4 | D35 H36 Y117 | D35-R55 HydrophobicContact CB-CB 4.39Å; D35-R55 PolarHBondContact N-O 2.91Å; H36-R55 HydrophobicContact CB-CB 3.82Å; H36-R55 HydrophobicContact CB-CG 3.95Å; H36-R55 PolarHBondContact N-O 2.02Å; H36-R55 PolarHBondContact O-N 2.82Å; R55-Y117 WeakPolarHBondContact CA-O 3.19Å |
| 56 | V | 90.8 | Very high | 89.1 | Confident | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.012 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 135.2 | -174.1 | 61.9 | 0 | 0 | 0 | 0 | 110.8 | V32 R33 V34 L54 I58 F108 Y117 | V32-V56 HydrophobicContact CG1-CG2 3.47Å; V32-V56 VanDerWaalsContact CG1-CG2 3.47Å; R33-V56 CarbonylContact O-C 3.22Å; R33-V56 WeakPolarHBondContact O-CA 2.97Å; R33-V56 WeakPolarHBondContact O-CG2 3.31Å; V34-V56 HydrophobicContact CG2-CB 4.39Å; V34-V56 HydrophobicContact CG2-CG2 3.91Å; L54-V56 HydrophobicContact CD1-CB 4.3Å; L54-V56 HydrophobicContact CG-CG1 4.33Å; V56-I58 HydrophobicContact CG2-CG1 4.29Å; V56-F108 HydrophobicContact CG1-CE1 3.49Å; V56-F108 VanDerWaalsContact CG1-CE1 3.49Å; V56-F108 HydrophobicContact CG1-CZ 3.73Å; V56-Y117 HydrophobicContact CG1-CD2 4.47Å; V56-Y117 PolarHBondContact N-O 3.46Å; V56-Y117 PolarHBondContact O-N 3.45Å |
| 57 | N | 90.3 | Very high | 89.4 | Confident | 55 Ų | 55 | 65.6 Ų | 65.6 | 29% | 0.294 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 123.5 | 171.3 | -173.3 | 11.2 | 0 | 0 | 0 | 109.3 | V32 R33 Y116 | V32-N57 WeakPolarHBondContact CA-O 3.35Å; R33-N57 HydrophobicContact CB-CB 4.37Å; R33-N57 PolarHBondContact N-O 2.89Å; R33-N57 PolarHBondContact O-N 2.86Å; N57-Y116 HydrophobicContact CB-CD2 3.92Å; N57-Y116 HydrophobicContact CB-CE2 4.37Å |
| 58 | I | 90.3 | Very high | 89.5 | Confident | 6 Ų | 6 | 63.8 Ų | 63.8 | 3% | 0.031 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 110.2 | 173.7 | -58.4 | -176.1 | 0 | 0 | 0 | 107.1 | T31 V32 V56 V60 I112 A114 S115 Y117 | T31-I58 WeakPolarHBondContact O-CA 3.5Å; V32-I58 HydrophobicContact CG1-CG1 4.48Å; V32-I58 HydrophobicContact CG2-CG1 4.37Å; V56-I58 HydrophobicContact CG2-CG1 4.29Å; I58-V60 WeakPolarHBondContact CG2-O 3.45Å; I58-I112 HydrophobicContact CD1-CG2 3.55Å; I58-A114 CarbonylContact O-C 3.45Å; I58-A114 WeakPolarHBondContact O-CA 3.41Å; I58-A114 WeakPolarHBondContact O-CB 3.45Å; I58-S115 PolarHBondContact N-O 3.24Å; I58-S115 PolarHBondContact O-N 3.49Å; I58-Y117 HydrophobicContact CB-CE2 4.43Å; I58-Y117 HydrophobicContact CD1-CD2 4.06Å; I58-Y117 HydrophobicContact CD1-CE2 3.82Å; I58-Y117 HydrophobicContact CG1-CD2 4.25Å; I58-Y117 HydrophobicContact CG1-CE2 4.24Å |
| 59 | S | 89.1 | Confident | 89.5 | Confident | 69 Ų | 69 | 67.7 Ų | 67.7 | 48% | 0.483 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -82 | -30.1 | -175.3 | 58.4 | 0 | 0 | 0 | 0 | 113.3 | T31 A114 | T31-S59 WeakPolarHBondContact CA-OG 3.37Å; T31-S59 PolarHBondContact O-N 2.78Å; T31-S59 PolarHBondContact O-OG 2.94Å; S59-A114 WeakPolarHBondContact O-CB 3.46Å |
| 60 | V | 88.5 | Confident | 89.5 | Confident | 82 Ų | 82 | 66.3 Ų | 66.3 | 50% | 0.497 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -135 | 137.6 | 177.7 | -177.2 | 0 | 0 | 0 | 0 | 108.4 | T31 I58 | T31-V60 HydrophobicContact CG2-CB 3.9Å; T31-V60 WeakPolarHBondContact CG2-O 3.4Å; I58-V60 WeakPolarHBondContact CG2-O 3.45Å |
| 61 | P | 89 | Confident | 89.5 | Confident | 72 Ų | 72 | 70.8 Ų | 70.8 | 47% | 0.468 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -55 | 131 | 174.1 | -24.3 | 35.8 | 0 | 0 | 0 | 110.7 | A114 | P61-A114 HydrophobicContact CG-CB 4.32Š|
| 62 | P | 86.6 | Confident | 89.3 | Confident | 36 Ų | 36 | 68.8 Ų | 68.8 | 23% | 0.234 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 155.6 | 176.3 | 29 | -33.7 | 0 | 0 | 0 | 110.9 | V100 I112 | P62-V100 HydrophobicContact CB-CG1 4.37Å; P62-V100 HydrophobicContact CB-CG2 4.33Å; P62-V100 HydrophobicContact CG-CG1 3.92Å; P62-I112 HydrophobicContact CG-CB 3.92Å; P62-I112 HydrophobicContact CG-CD1 3.96Å; P62-I112 HydrophobicContact CG-CG1 4.43Å; P62-I112 HydrophobicContact CG-CG2 4.13Å |
| 63 | P | 89.1 | Confident | 89.1 | Confident | 84 Ų | 84 | 75 Ų | 75 | 55% | 0.545 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 166.7 | 171.5 | 28.9 | -35.6 | 0 | 0 | 0 | 111.4 | E65 V66 V100 | P63-E65 VanDerWaalsContact C-N 3.25Å; P63-E65 WeakPolarHBondContact CG-O 3.44Å; P63-E65 PolarHBondContact O-N 2.92Å; P63-V66 HydrophobicContact CG-CG1 3.88Å; P63-V100 WeakPolarHBondContact O-CG2 3.49Å |
| 64 | E | 88.8 | Confident | 88.8 | Confident | 179 Ų | 179 | 80.4 Ų | 80.4 | 84% | 0.836 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -61.2 | -34.9 | -180 | -64.4 | -173.6 | 168 | 0 | 0 | 112.9 | P99 V100 | E64-P99 WeakPolarHBondContact O-CA 3.15Å; E64-V100 PolarHBondContact O-N 2.83Å |
| 65 | E | 90.2 | Very high | 88.5 | Confident | 89 Ų | 89 | 83.8 Ų | 83.8 | 42% | 0.416 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 146.2 | 177.6 | -61.7 | -174.8 | 159.4 | 0 | 0 | 111.4 | P63 H97 L98 | P63-E65 VanDerWaalsContact C-N 3.25Å; P63-E65 WeakPolarHBondContact CG-O 3.44Å; P63-E65 PolarHBondContact O-N 2.92Å; E65-H97 VanDerWaalsContact OE2-CB 3.29Å; E65-H97 WeakPolarHBondContact OE2-CB 3.39Å; E65-H97 IonicContact OE2-CG 2.9Å; E65-H97 IonicContact OE2-ND1 2.76Å; E65-H97 PolarHBondContact OE2-ND1 3.26Å; E65-L98 WeakPolarHBondContact CA-O 3.22Å |
| 66 | V | 86.9 | Confident | 88.1 | Confident | 44 Ų | 44 | 83.8 Ų | 83.8 | 27% | 0.267 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 153.5 | 178.9 | -70.6 | 0 | 0 | 0 | 0 | 111.5 | P63 V68 L98 V100 | P63-V66 HydrophobicContact CG-CG1 3.88Å; V66-V68 HydrophobicContact CG2-CG2 3.83Å; V66-L98 PolarHBondContact N-O 2.75Å; V66-L98 PolarHBondContact O-N 2.94Å; V66-V100 HydrophobicContact CB-CG2 4.12Å; V66-V100 HydrophobicContact CG1-CG2 3.45Å; V66-V100 VanDerWaalsContact CG1-CG2 3.45Å; V66-V100 HydrophobicContact CG2-CG2 3.67Å |
| 67 | Y | 86.9 | Confident | 87.5 | Confident | 138 Ų | 138 | 86.4 Ų | 86.4 | 54% | 0.541 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 122.8 | 166.5 | 176.6 | -94.9 | 0 | 0 | 0 | 109.7 | K69 D94 Y95 A96 | Y67-K69 HydrophobicContact CE1-CB 3.94Å; Y67-D94 HydrophobicContact CE2-CB 4.19Å; Y67-D94 PolarHBondContact OH-OD2 2.79Å; Y67-Y95 WeakPolarHBondContact CA-O 3.45Å; Y67-A96 HydrophobicContact CD2-CB 4.29Å |
| 68 | V | 87.7 | Confident | 86.7 | Confident | 53 Ų | 53 | 89.4 Ų | 89.4 | 32% | 0.321 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 119.9 | 179.7 | -179.1 | 0 | 0 | 0 | 0 | 110.4 | V66 Y95 L98 | V66-V68 HydrophobicContact CG2-CG2 3.83Å; V68-Y95 HydrophobicContact CB-CD2 4.37Å; V68-Y95 HydrophobicContact CG1-CD2 4.46Å; V68-Y95 PolarHBondContact N-O 2.85Å; V68-Y95 PolarHBondContact O-N 3.28Å; V68-L98 HydrophobicContact CB-CD2 4.29Å; V68-L98 HydrophobicContact CG2-CD2 3.78Å |
| 69 | K | 89.4 | Confident | 86.1 | Confident | 99 Ų | 99 | 95.4 Ų | 95.4 | 43% | 0.43 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 109.2 | 173.7 | 179.7 | 164.8 | -157.1 | 86.7 | 0 | 110.1 | Y67 F71 D94 | Y67-K69 HydrophobicContact CE1-CB 3.94Å; K69-F71 HydrophobicContact CD-CE2 3.71Å; K69-F71 HydrophobicContact CD-CZ 3.76Å; K69-F71 HydrophobicContact CG-CD2 4.19Å; K69-F71 HydrophobicContact CG-CE2 3.51Å; K69-F71 HydrophobicContact CG-CZ 3.87Å; K69-D94 VanDerWaalsContact CG-OD1 3.32Å; K69-D94 WeakPolarHBondContact CG-OD1 3.22Å; K69-D94 IonicContact NZ-OD1 3.62Å; K69-D94 PolarHBondContact NZ-OD1 2.89Å; K69-D94 IonicContact NZ-OD2 2.79Å; K69-D94 PolarHBondContact NZ-OD2 2.84Å |
| 70 | L | 89.1 | Confident | 85.9 | Confident | 75 Ų | 75 | 100.6 Ų | 100.6 | 39% | 0.393 | 50% | 0.499 | S | S | . | . | trans | -99.6 | 132.9 | -178.3 | -176 | 62.4 | 0 | 0 | 0 | 110.9 | G91 S92 C93 Y95 | L70-G91 WeakPolarHBondContact CD2-O 3.14Å; L70-S92 CarbonylContact O-C 3.6Å; L70-S92 VanDerWaalsContact O-C 3.22Å; L70-S92 WeakPolarHBondContact O-CA 3.49Å; L70-S92 WeakPolarHBondContact O-CB 3.28Å; L70-C93 WeakPolarHBondContact CB-O 3.2Å; L70-C93 PolarHBondContact N-O 2.79Å; L70-C93 PolarHBondContact O-N 3.47Å; L70-Y95 HydrophobicContact CB-CE2 4.13Å; L70-Y95 HydrophobicContact CD2-CE2 4.25Å | ||
| 71 | F | 89.3 | Confident | 85.8 | Confident | 120 Ų | 120 | 102.2 Ų | 102.2 | 53% | 0.526 | 50% | 0.496 | S | S | . | . | trans | -120.8 | 106.9 | 172.8 | -67.5 | -80 | 0 | 0 | 0 | 109.9 | K69 | K69-F71 HydrophobicContact CD-CE2 3.71Å; K69-F71 HydrophobicContact CD-CZ 3.76Å; K69-F71 HydrophobicContact CG-CD2 4.19Å; K69-F71 HydrophobicContact CG-CE2 3.51Å; K69-F71 HydrophobicContact CG-CZ 3.87Å | ||
| 72 | L | 86.9 | Confident | 85.8 | Confident | 65 Ų | 65 | 101.5 Ų | 101.5 | 34% | 0.34 | 49% | 0.49 | S | S | . | . | trans | -102.8 | 131.5 | 177.1 | -173.1 | 63.1 | 0 | 0 | 0 | 110.4 | I84 F90 S92 | L72-I84 HydrophobicContact CB-CB 4.32Å; L72-I84 HydrophobicContact CD2-CB 4.15Å; L72-I84 HydrophobicContact CD2-CG1 4.22Å; L72-I84 HydrophobicContact CD2-CG2 4.34Å; L72-I84 HydrophobicContact CG-CB 4.23Å; L72-I84 HydrophobicContact CG-CG1 4.15Å; L72-I84 PolarHBondContact O-N 3.18Å; L72-F90 HydrophobicContact CD2-CE1 4.25Å; L72-F90 HydrophobicContact CD2-CZ 4.15Å; L72-S92 PolarHBondContact N-OG 2.74Å; L72-S92 PolarHBondContact O-OG 2.63Å; L72-S92 VanDerWaalsContact O-OG 3.1Å | ||
| 73 | R | 87.7 | Confident | 85.9 | Confident | 157 Ų | 157 | 105.6 Ų | 105.6 | 59% | 0.592 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 142 | 174.2 | -67.8 | -179.2 | 162.7 | -171.3 | -4.7 | 109.9 | W81 V82 R83 | R73-W81 HydrophobicContact CB-CE3 3.69Å; R73-W81 HydrophobicContact CB-CZ3 4.23Å; R73-V82 CarbonylContact C-O 3.53Å; R73-V82 VanDerWaalsContact CA-O 3.27Å; R73-V82 WeakPolarHBondContact CA-O 3.4Å; R73-R83 HydrophobicContact CG-CB 4.49Å |
| 74 | K | 84.3 | Confident | 85.9 | Confident | 134 Ų | 134 | 103.6 Ų | 103.6 | 58% | 0.583 | 49% | 0.485 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 132.5 | 172.4 | -177.3 | 175.9 | -179.8 | 177.9 | 0 | 109.1 | I76 V82 I84 | K74-I76 HydrophobicContact CG-CG1 4.43Å; K74-V82 PolarHBondContact N-O 3.05Å; K74-V82 PolarHBondContact O-N 2.96Å; K74-I84 HydrophobicContact CB-CD1 3.72Å; K74-I84 HydrophobicContact CB-CG1 4.1Å |
| 75 | R | 86.1 | Confident | 86.1 | Confident | 87 Ų | 87 | 98.5 Ų | 98.5 | 33% | 0.328 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 124.1 | 167.4 | -171.7 | 174.7 | 72.4 | -174.4 | 12.8 | 108.9 | T16 E18 A77 W81 | T16-R75 PolarHBondContact O-NH2 2.87Å; T16-R75 VanDerWaalsContact O-NH2 3.11Å; E18-R75 VanDerWaalsContact OE1-CD 3.3Å; E18-R75 WeakPolarHBondContact OE1-CD 3.4Å; E18-R75 IonicContact OE1-CZ 2.77Å; E18-R75 IonicContact OE1-NE 2.87Å; E18-R75 IonicContact OE1-NH1 3.55Å; E18-R75 PolarHBondContact OE1-NH1 3.33Å; E18-R75 VanDerWaalsContact OE2-CB 3.28Å; E18-R75 WeakPolarHBondContact OE2-CB 3.31Å; E18-R75 IonicContact OE2-CZ 3.7Å; E18-R75 IonicContact OE2-NE 3.37Å; E18-R75 IonicContact OE2-NH1 3.79Å; R75-A77 WeakPolarHBondContact CG-O 3.12Å; R75-W81 HydrophobicContact CB-CD2 4.29Å; R75-W81 HydrophobicContact CB-CE3 4.17Å; R75-W81 HydrophobicContact CB-CZ3 4.35Å |
| 76 | I | 82.8 | Confident | 86 | Confident | 114 Ų | 114 | 97.5 Ų | 97.5 | 59% | 0.585 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.5 | -27.7 | -179.4 | -54.7 | -172.8 | 0 | 0 | 0 | 111.3 | K74 R80 V82 | K74-I76 HydrophobicContact CG-CG1 4.43Å; I76-R80 PolarHBondContact N-O 3.44Å; I76-R80 VanDerWaalsContact N-O 3.1Å; I76-V82 HydrophobicContact CD1-CB 3.75Å; I76-V82 HydrophobicContact CD1-CG1 4.35Å; I76-V82 HydrophobicContact CD1-CG2 3.51Å; I76-V82 HydrophobicContact CG1-CB 4.3Å; I76-V82 HydrophobicContact CG1-CG2 4.06Å |
| 77 | A | 77.4 | Confident | 86 | Confident | 56 Ų | 56 | 100 Ų | 100 | 46% | 0.463 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 171.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109 | R75 T79 R80 | R75-A77 WeakPolarHBondContact CG-O 3.12Å; A77-T79 PolarHBondContact O-N 3.24Å; A77-R80 PolarHBondContact O-N 3.21Å; A77-R80 VanDerWaalsContact O-N 3.17Å |
| 78 | D | 74.6 | Confident | 86 | Confident | 119 Ų | 119 | 102.3 Ų | 102.3 | 64% | 0.636 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.8 | -29.3 | -168.6 | -66.3 | -31.5 | 0 | 0 | 0 | 115.4 | ||
| 79 | T | 77 | Confident | 85.7 | Confident | 132 Ų | 132 | 101.6 Ų | 101.6 | 81% | 0.81 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.4 | -7.8 | 179.3 | 59.1 | 0 | 0 | 0 | 0 | 114.8 | A77 | A77-T79 PolarHBondContact O-N 3.24Š|
| 80 | R | 85.1 | Confident | 85.3 | Confident | 177 Ų | 177 | 102.1 Ų | 102.1 | 67% | 0.668 | 50% | 0.5 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 112.3 | -172.9 | -169.3 | 177.8 | -74.1 | -166.9 | -0.9 | 111.5 | I76 A77 V82 | I76-R80 PolarHBondContact N-O 3.44Å; I76-R80 VanDerWaalsContact N-O 3.1Å; A77-R80 PolarHBondContact O-N 3.21Å; A77-R80 VanDerWaalsContact O-N 3.17Å; R80-V82 HydrophobicContact CG-CG2 4.2Å |
| 81 | W | 87.6 | Confident | 85.1 | Confident | 117 Ų | 117 | 98.6 Ų | 98.6 | 44% | 0.443 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 119.3 | 169.1 | -71.1 | 88.9 | 0 | 0 | 0 | 110.7 | E18 R73 R75 | E18-W81 HydrophobicContact CG-CH2 3.76Å; E18-W81 HydrophobicContact CG-CZ2 3.87Å; E18-W81 WeakPolarHBondContact OE1-CH2 3.35Å; E18-W81 WeakPolarHBondContact OE1-CZ2 3.07Å; E18-W81 WeakPolarHBondContact OE2-CH2 3.37Å; E18-W81 VanDerWaalsContact OE2-CZ2 3.24Å; E18-W81 WeakPolarHBondContact OE2-CZ2 3.35Å; E18-W81 WeakPolarHBondContact OE2-CZ3 3.47Å; R73-W81 HydrophobicContact CB-CE3 3.69Å; R73-W81 HydrophobicContact CB-CZ3 4.23Å; R75-W81 HydrophobicContact CB-CD2 4.29Å; R75-W81 HydrophobicContact CB-CE3 4.17Å; R75-W81 HydrophobicContact CB-CZ3 4.35Å |
| 82 | V | 87.8 | Confident | 85.2 | Confident | 56 Ų | 56 | 93.2 Ų | 93.2 | 34% | 0.339 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 128.7 | 175.9 | 179.6 | 0 | 0 | 0 | 0 | 108.9 | R73 K74 I76 R80 I84 | R73-V82 CarbonylContact C-O 3.53Å; R73-V82 VanDerWaalsContact CA-O 3.27Å; R73-V82 WeakPolarHBondContact CA-O 3.4Å; K74-V82 PolarHBondContact N-O 3.05Å; K74-V82 PolarHBondContact O-N 2.96Å; I76-V82 HydrophobicContact CD1-CB 3.75Å; I76-V82 HydrophobicContact CD1-CG1 4.35Å; I76-V82 HydrophobicContact CD1-CG2 3.51Å; I76-V82 HydrophobicContact CG1-CB 4.3Å; I76-V82 HydrophobicContact CG1-CG2 4.06Å; R80-V82 HydrophobicContact CG-CG2 4.2Å; V82-I84 PolarHBondContact O-N 2.91Å |
| 83 | R | 89.6 | Confident | 85.3 | Confident | 123 Ų | 123 | 90.3 Ų | 90.3 | 46% | 0.464 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 125.4 | 172.2 | -175.6 | -179.7 | -179.5 | -171.7 | -5.4 | 108.6 | R73 P85 S92 | R73-R83 HydrophobicContact CG-CB 4.49Å; R83-P85 WeakPolarHBondContact O-CD 3.36Å; R83-S92 VanDerWaalsContact CG-OG 3.25Å; R83-S92 WeakPolarHBondContact CG-OG 3.21Å; R83-S92 PolarHBondContact NE-OG 3.06Å |
| 84 | I | 88.7 | Confident | 85.5 | Confident | 41 Ų | 41 | 86.5 Ų | 86.5 | 21% | 0.21 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -78.4 | 118.1 | 173.6 | -56 | -54.7 | 0 | 0 | 0 | 107.5 | L72 K74 V82 S92 | L72-I84 HydrophobicContact CB-CB 4.32Å; L72-I84 HydrophobicContact CD2-CB 4.15Å; L72-I84 HydrophobicContact CD2-CG1 4.22Å; L72-I84 HydrophobicContact CD2-CG2 4.34Å; L72-I84 HydrophobicContact CG-CB 4.23Å; L72-I84 HydrophobicContact CG-CG1 4.15Å; L72-I84 PolarHBondContact O-N 3.18Å; K74-I84 HydrophobicContact CB-CD1 3.72Å; K74-I84 HydrophobicContact CB-CG1 4.1Å; V82-I84 PolarHBondContact O-N 2.91Å; I84-S92 WeakPolarHBondContact O-CB 3.3Å; I84-S92 PolarHBondContact O-N 3.31Å; I84-S92 PolarHBondContact O-OG 2.97Å |
| 85 | P | 92.3 | Very high | 85.6 | Confident | 73 Ų | 73 | 83.5 Ų | 83.5 | 47% | 0.474 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 160 | 179.1 | 28.4 | -35.3 | 0 | 0 | 0 | 111 | R83 I87 F90 | R83-P85 WeakPolarHBondContact O-CD 3.36Å; P85-I87 HydrophobicContact CB-CG1 4.39Å; P85-I87 HydrophobicContact CG-CD1 3.78Å; P85-I87 HydrophobicContact CG-CG1 4.05Å; P85-I87 PolarHBondContact O-N 3.12Å; P85-F90 VanDerWaalsContact O-O 3.14Å |
| 86 | C | 89.6 | Confident | 85.7 | Confident | 67 Ų | 67 | 82.3 Ų | 82.3 | 45% | 0.453 | 43% | 0.43 | S | S | . | . | trans | -75.3 | 112.8 | 171.1 | -172.5 | 0 | 0 | 0 | 0 | 109.4 | F90 C93 | C86-F90 CarbonylContact C-O 3.45Å; C86-F90 WeakPolarHBondContact CA-O 3.37Å; C86-C93 VanDerWaalsContact CA-SG 3.53Å; C86-C93 HydrophobicContact CB-CB 3.94Å; C86-C93 WeakPolarHBondContact CB-SG 3.49Å; C86-C93 VanDerWaalsContact SG-CA 3.58Å; C86-C93 WeakPolarHBondContact SG-CB 3.29Å; C86-C93 CovalentContact SG-SG 2.04Å; C86-C93 PolarHBondContact SG-SG 3.22Å | ||
| 87 | I | 86.9 | Confident | 86 | Confident | 96 Ų | 96 | 83.5 Ų | 83.5 | 49% | 0.492 | 43% | 0.433 | S | S | . | . | B | Isolated β-bridge | trans | -130.2 | 121 | 178.3 | -60.3 | 176.3 | 0 | 0 | 0 | 107.4 | P85 G89 F90 | P85-I87 HydrophobicContact CB-CG1 4.39Å; P85-I87 HydrophobicContact CG-CD1 3.78Å; P85-I87 HydrophobicContact CG-CG1 4.05Å; P85-I87 PolarHBondContact O-N 3.12Å; I87-G89 PolarHBondContact O-N 3.41Å; I87-G89 VanDerWaalsContact O-N 3.13Å; I87-F90 PolarHBondContact N-O 3.2Å; I87-F90 WeakPolarHBondContact O-CB 3.25Å; I87-F90 PolarHBondContact O-N 3.18Å |
| 88 | F | 86.1 | Confident | 86.4 | Confident | 187 Ų | 187 | 82.1 Ų | 82.1 | 82% | 0.82 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 34.2 | -177.5 | -54.1 | -60.1 | 0 | 0 | 0 | 114.5 | F90 | F88-F90 VanDerWaalsContact C-N 3.3Å; F88-F90 PolarHBondContact O-N 3.48Å |
| 89 | G | 82.5 | Confident | 87.2 | Confident | 39 Ų | 39 | 78.2 Ų | 78.2 | 40% | 0.402 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78 | 10.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | I87 Y95 | I87-G89 PolarHBondContact O-N 3.41Å; I87-G89 VanDerWaalsContact O-N 3.13Å; G89-Y95 PolarHBondContact O-OH 3.38Å |
| 90 | F | 80.9 | Confident | 87.6 | Confident | 109 Ų | 109 | 72.8 Ų | 72.8 | 48% | 0.478 | 37% | 0.366 | S | S | . | . | B | Isolated β-bridge | trans | -111.9 | 141.3 | 172.6 | -176.7 | -96 | 0 | 0 | 0 | 111.1 | L72 P85 C86 I87 F88 L132 | L72-F90 HydrophobicContact CD2-CE1 4.25Å; L72-F90 HydrophobicContact CD2-CZ 4.15Å; P85-F90 VanDerWaalsContact O-O 3.14Å; C86-F90 CarbonylContact C-O 3.45Å; C86-F90 WeakPolarHBondContact CA-O 3.37Å; I87-F90 PolarHBondContact N-O 3.2Å; I87-F90 WeakPolarHBondContact O-CB 3.25Å; I87-F90 PolarHBondContact O-N 3.18Å; F88-F90 VanDerWaalsContact C-N 3.3Å; F88-F90 PolarHBondContact O-N 3.48Å; F90-L132 HydrophobicContact CD2-CD1 4.42Å; F90-L132 HydrophobicContact CD2-CD2 4.24Å |
| 91 | G | 85 | Confident | 87.9 | Confident | 2 Ų | 2 | 66.6 Ų | 66.6 | 2% | 0.021 | 35% | 0.349 | C | S | . | . | S | Bend | trans | 106.1 | -144 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L70 C93 | L70-G91 WeakPolarHBondContact CD2-O 3.14Å; G91-C93 VanDerWaalsContact C-N 3.35Å; G91-C93 PolarHBondContact O-N 2.92Å |
| 92 | S | 89.6 | Confident | 87.8 | Confident | 7 Ų | 7 | 63.9 Ų | 63.9 | 5% | 0.049 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -83.4 | 74.5 | -179.3 | -56.4 | 0 | 0 | 0 | 0 | 112.3 | L70 L72 R83 I84 | L70-S92 CarbonylContact O-C 3.6Å; L70-S92 VanDerWaalsContact O-C 3.22Å; L70-S92 WeakPolarHBondContact O-CA 3.49Å; L70-S92 WeakPolarHBondContact O-CB 3.28Å; L72-S92 PolarHBondContact N-OG 2.74Å; L72-S92 PolarHBondContact O-OG 2.63Å; L72-S92 VanDerWaalsContact O-OG 3.1Å; R83-S92 VanDerWaalsContact CG-OG 3.25Å; R83-S92 WeakPolarHBondContact CG-OG 3.21Å; R83-S92 PolarHBondContact NE-OG 3.06Å; I84-S92 WeakPolarHBondContact O-CB 3.3Å; I84-S92 PolarHBondContact O-N 3.31Å; I84-S92 PolarHBondContact O-OG 2.97Å |
| 93 | C | 90 | Very high | 87.2 | Confident | 3 Ų | 3 | 66.5 Ų | 66.5 | 2% | 0.02 | 35% | 0.354 | C | S | . | . | trans | -100.7 | 154.2 | -175.3 | -59 | 0 | 0 | 0 | 0 | 113.3 | L70 C86 G91 Y95 | L70-C93 WeakPolarHBondContact CB-O 3.2Å; L70-C93 PolarHBondContact N-O 2.79Å; L70-C93 PolarHBondContact O-N 3.47Å; C86-C93 VanDerWaalsContact CA-SG 3.53Å; C86-C93 HydrophobicContact CB-CB 3.94Å; C86-C93 WeakPolarHBondContact CB-SG 3.49Å; C86-C93 VanDerWaalsContact SG-CA 3.58Å; C86-C93 WeakPolarHBondContact SG-CB 3.29Å; C86-C93 CovalentContact SG-SG 2.04Å; C86-C93 PolarHBondContact SG-SG 3.22Å; G91-C93 VanDerWaalsContact C-N 3.35Å; G91-C93 PolarHBondContact O-N 2.92Å; C93-Y95 HydrophobicContact CB-CD2 4.42Å; C93-Y95 HydrophobicContact CB-CE1 4.05Å; C93-Y95 HydrophobicContact CB-CE2 3.75Å | ||
| 94 | D | 91.2 | Very high | 86.9 | Confident | 78 Ų | 78 | 61.9 Ų | 61.9 | 42% | 0.417 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 119 | 167.5 | -67.1 | -3.3 | 0 | 0 | 0 | 107.9 | Y67 K69 | Y67-D94 HydrophobicContact CE2-CB 4.19Å; Y67-D94 PolarHBondContact OH-OD2 2.79Å; K69-D94 VanDerWaalsContact CG-OD1 3.32Å; K69-D94 WeakPolarHBondContact CG-OD1 3.22Å; K69-D94 IonicContact NZ-OD1 3.62Å; K69-D94 PolarHBondContact NZ-OD1 2.89Å; K69-D94 IonicContact NZ-OD2 2.79Å; K69-D94 PolarHBondContact NZ-OD2 2.84Å |
| 95 | Y | 87.4 | Confident | 86.8 | Confident | 70 Ų | 70 | 64.8 Ų | 64.8 | 28% | 0.275 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 103.3 | 178.9 | -54 | -84.6 | 0 | 0 | 0 | 108.9 | Y67 V68 L70 G89 C93 | Y67-Y95 WeakPolarHBondContact CA-O 3.45Å; V68-Y95 HydrophobicContact CB-CD2 4.37Å; V68-Y95 HydrophobicContact CG1-CD2 4.46Å; V68-Y95 PolarHBondContact N-O 2.85Å; V68-Y95 PolarHBondContact O-N 3.28Å; L70-Y95 HydrophobicContact CB-CE2 4.13Å; L70-Y95 HydrophobicContact CD2-CE2 4.25Å; G89-Y95 PolarHBondContact O-OH 3.38Å; C93-Y95 HydrophobicContact CB-CD2 4.42Å; C93-Y95 HydrophobicContact CB-CE1 4.05Å; C93-Y95 HydrophobicContact CB-CE2 3.75Å |
| 96 | A | 87.4 | Confident | 86.4 | Confident | 63 Ų | 63 | 67.5 Ų | 67.5 | 52% | 0.521 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 144.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y67 L98 | Y67-A96 HydrophobicContact CD2-CB 4.29Å; A96-L98 VanDerWaalsContact C-N 3.32Å; A96-L98 PolarHBondContact O-N 3.05Å |
| 97 | H | 88.4 | Confident | 86.2 | Confident | 138 Ų | 138 | 66.4 Ų | 66.4 | 64% | 0.639 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 59.5 | 37.6 | 175.7 | -56.1 | -75.2 | 0 | 0 | 0 | 114 | E65 P99 | E65-H97 VanDerWaalsContact OE2-CB 3.29Å; E65-H97 WeakPolarHBondContact OE2-CB 3.39Å; E65-H97 IonicContact OE2-CG 2.9Å; E65-H97 IonicContact OE2-ND1 2.76Å; E65-H97 PolarHBondContact OE2-ND1 3.26Å; H97-P99 WeakPolarHBondContact O-CD 3.33Å |
| 98 | L | 86.4 | Confident | 86.3 | Confident | 27 Ų | 27 | 63.5 Ų | 63.5 | 14% | 0.141 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 116.6 | 176.8 | -172.6 | 69.7 | 0 | 0 | 0 | 108.7 | E65 V66 V68 A96 V100 L102 L103 | E65-L98 WeakPolarHBondContact CA-O 3.22Å; V66-L98 PolarHBondContact N-O 2.75Å; V66-L98 PolarHBondContact O-N 2.94Å; V68-L98 HydrophobicContact CB-CD2 4.29Å; V68-L98 HydrophobicContact CG2-CD2 3.78Å; A96-L98 VanDerWaalsContact C-N 3.32Å; A96-L98 PolarHBondContact O-N 3.05Å; L98-V100 PolarHBondContact O-N 3.46Å; L98-L102 HydrophobicContact CD1-CD2 3.97Å; L98-L103 HydrophobicContact CD2-CD1 3.78Å; L98-L103 HydrophobicContact CD2-CG 4.49Å |
| 99 | P | 91 | Very high | 86.4 | Confident | 38 Ų | 38 | 56.1 Ų | 56.1 | 25% | 0.247 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 124.5 | 177.5 | -19.8 | 33.5 | 0 | 0 | 0 | 108.8 | E64 H97 C101 L102 | E64-P99 WeakPolarHBondContact O-CA 3.15Å; H97-P99 WeakPolarHBondContact O-CD 3.33Å; P99-C101 PolarHBondContact O-N 3.31Å; P99-L102 HydrophobicContact CB-CB 4.43Å; P99-L102 VanDerWaalsContact O-CB 3.25Å; P99-L102 WeakPolarHBondContact O-CB 3.39Å; P99-L102 PolarHBondContact O-N 2.89Å |
| 100 | V | 87.1 | Confident | 86.7 | Confident | 18 Ų | 18 | 57.5 Ų | 57.5 | 11% | 0.109 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.2 | -41.7 | -173.8 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | P62 P63 E64 V66 L98 L102 T104 I112 | P62-V100 HydrophobicContact CB-CG1 4.37Å; P62-V100 HydrophobicContact CB-CG2 4.33Å; P62-V100 HydrophobicContact CG-CG1 3.92Å; P63-V100 WeakPolarHBondContact O-CG2 3.49Å; E64-V100 PolarHBondContact O-N 2.83Å; V66-V100 HydrophobicContact CB-CG2 4.12Å; V66-V100 HydrophobicContact CG1-CG2 3.45Å; V66-V100 VanDerWaalsContact CG1-CG2 3.45Å; V66-V100 HydrophobicContact CG2-CG2 3.67Å; L98-V100 PolarHBondContact O-N 3.46Å; V100-L102 PolarHBondContact O-N 3.32Å; V100-T104 PolarHBondContact O-OG1 2.95Å; V100-I112 HydrophobicContact CG1-CD1 3.39Å; V100-I112 HydrophobicContact CG1-CG1 4.35Å |
| 101 | C | 89.8 | Confident | 87.1 | Confident | 47 Ų | 47 | 57.3 Ų | 57.3 | 32% | 0.318 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.4 | -23.5 | 178.8 | -81 | 0 | 0 | 0 | 0 | 115.1 | P99 L103 T104 H105 C110 | P99-C101 PolarHBondContact O-N 3.31Å; C101-L103 VanDerWaalsContact C-N 3.26Å; C101-L103 PolarHBondContact O-N 2.91Å; C101-T104 PolarHBondContact O-N 3.44Å; C101-H105 VanDerWaalsContact O-CB 3.31Å; C101-H105 WeakPolarHBondContact O-CB 3.18Å; C101-H105 PolarHBondContact O-N 3.47Å; C101-H105 VanDerWaalsContact O-N 3.16Å; C101-H105 PolarHBondContact O-ND1 2.96Å; C101-C110 WeakPolarHBondContact CA-SG 3.44Å; C101-C110 HydrophobicContact CB-CB 4.16Å; C101-C110 WeakPolarHBondContact CB-SG 3.24Å; C101-C110 WeakPolarHBondContact SG-CB 3.34Å; C101-C110 CovalentContact SG-SG 2.02Å; C101-C110 PolarHBondContact SG-SG 3.39Å |
| 102 | L | 85.3 | Confident | 87.4 | Confident | 59 Ų | 59 | 58 Ų | 58 | 31% | 0.309 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.3 | -39.6 | -175.7 | -173.3 | 67.5 | 0 | 0 | 0 | 112 | L98 P99 V100 | L98-L102 HydrophobicContact CD1-CD2 3.97Å; P99-L102 HydrophobicContact CB-CB 4.43Å; P99-L102 VanDerWaalsContact O-CB 3.25Å; P99-L102 WeakPolarHBondContact O-CB 3.39Å; P99-L102 PolarHBondContact O-N 2.89Å; V100-L102 PolarHBondContact O-N 3.32Å |
| 103 | L | 75.3 | Confident | 87.5 | Confident | 111 Ų | 111 | 64.4 Ų | 64.4 | 58% | 0.581 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -101.4 | -16.4 | -176.5 | -62.5 | -178.6 | 0 | 0 | 0 | 114 | L98 C101 | L98-L103 HydrophobicContact CD2-CD1 3.78Å; L98-L103 HydrophobicContact CD2-CG 4.49Å; C101-L103 VanDerWaalsContact C-N 3.26Å; C101-L103 PolarHBondContact O-N 2.91Å |
| 104 | T | 84.4 | Confident | 87.6 | Confident | 27 Ų | 27 | 66.7 Ų | 66.7 | 17% | 0.166 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -116.6 | -8.9 | -164.5 | 58.2 | 0 | 0 | 0 | 0 | 114 | V100 C101 E106 L107 F108 I112 | V100-T104 PolarHBondContact O-OG1 2.95Å; C101-T104 PolarHBondContact O-N 3.44Å; T104-E106 VanDerWaalsContact C-N 3.26Å; T104-E106 PolarHBondContact O-N 3.03Å; T104-L107 PolarHBondContact O-N 3.2Å; T104-F108 HydrophobicContact CG2-CD2 4.09Å; T104-F108 HydrophobicContact CG2-CE2 4.11Å; T104-F108 PolarHBondContact O-N 2.79Å; T104-I112 HydrophobicContact CG2-CD1 4.4Å; T104-I112 WeakPolarHBondContact OG1-CD1 3.47Å |
| 105 | H | 86.8 | Confident | 87.8 | Confident | 101 Ų | 101 | 65.8 Ų | 65.8 | 47% | 0.468 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -57.4 | -38.6 | -176.4 | 74.5 | -78.3 | 0 | 0 | 0 | 112.8 | C101 L107 G109 | C101-H105 VanDerWaalsContact O-CB 3.31Å; C101-H105 WeakPolarHBondContact O-CB 3.18Å; C101-H105 PolarHBondContact O-N 3.47Å; C101-H105 VanDerWaalsContact O-N 3.16Å; C101-H105 PolarHBondContact O-ND1 2.96Å; H105-L107 PolarHBondContact O-N 3.32Å; H105-G109 WeakPolarHBondContact O-CA 3.41Å; H105-G109 PolarHBondContact O-N 2.96Å; H105-G109 VanDerWaalsContact O-N 3.07Å |
| 106 | E | 83.7 | Confident | 88.1 | Confident | 131 Ų | 131 | 68 Ų | 68 | 61% | 0.612 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -67.7 | -23.5 | 177.8 | -60.5 | -171.3 | 168.4 | 0 | 0 | 112.8 | T104 F123 | T104-E106 VanDerWaalsContact C-N 3.26Å; T104-E106 PolarHBondContact O-N 3.03Å; E106-F123 HydrophobicContact CB-CE1 4.49Å |
| 107 | L | 85.1 | Confident | 88.4 | Confident | 43 Ų | 43 | 66.9 Ų | 66.9 | 23% | 0.225 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -99 | -41.3 | -174.5 | -67.2 | 174 | 0 | 0 | 0 | 113.2 | L52 T104 H105 I119 F123 | L52-L107 HydrophobicContact CD2-CD2 4.04Å; T104-L107 PolarHBondContact O-N 3.2Å; H105-L107 PolarHBondContact O-N 3.32Å; L107-I119 HydrophobicContact CB-CD1 3.85Å; L107-I119 HydrophobicContact CD2-CD1 4.09Å; L107-I119 HydrophobicContact CD2-CG2 3.89Å; L107-I119 HydrophobicContact CG-CD1 4.48Å; L107-F123 HydrophobicContact CD2-CE1 4.5Å; L107-F123 HydrophobicContact CD2-CE2 4.25Å; L107-F123 HydrophobicContact CD2-CZ 3.6Å |
| 108 | F | 88.6 | Confident | 88.7 | Confident | 36 Ų | 36 | 64.3 Ų | 64.3 | 16% | 0.158 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -120.8 | -8.8 | -171.1 | -52.9 | -52.2 | 0 | 0 | 0 | 113.8 | L54 V56 T104 I112 Y117 I119 | L54-F108 HydrophobicContact CD2-CZ 4.09Å; V56-F108 HydrophobicContact CG1-CE1 3.49Å; V56-F108 VanDerWaalsContact CG1-CE1 3.49Å; V56-F108 HydrophobicContact CG1-CZ 3.73Å; T104-F108 HydrophobicContact CG2-CD2 4.09Å; T104-F108 HydrophobicContact CG2-CE2 4.11Å; T104-F108 PolarHBondContact O-N 2.79Å; F108-I112 HydrophobicContact CB-CD1 4.32Å; F108-I112 HydrophobicContact CB-CG1 4.05Å; F108-I112 HydrophobicContact CB-CG2 4.38Å; F108-I112 HydrophobicContact CD2-CD1 3.89Å; F108-Y117 HydrophobicContact CB-CD1 4.5Å; F108-Y117 HydrophobicContact CB-CE1 4.04Å; F108-Y117 AromaticContact CD1-CD1 3.61Å; F108-Y117 HydrophobicContact CD1-CD1 3.61Å; F108-Y117 HydrophobicContact CD1-CD2 4.03Å; F108-Y117 AromaticContact CD1-CE1 3.98Å; F108-Y117 HydrophobicContact CD1-CE1 3.98Å; F108-Y117 HydrophobicContact CD1-CE2 4.38Å; F108-Y117 AromaticContact CD1-CG 3.62Å; F108-Y117 HydrophobicContact CD1-CG 3.62Å; F108-Y117 HydrophobicContact CE1-CD1 4.39Å; F108-Y117 HydrophobicContact CE1-CD2 4.35Å; F108-Y117 AromaticContact CE1-CG 3.99Å; F108-Y117 HydrophobicContact CE1-CG 3.99Å; F108-Y117 HydrophobicContact CG-CD1 4.48Å; F108-Y117 HydrophobicContact CG-CE1 4.43Å; F108-I119 HydrophobicContact CD1-CD1 3.82Å; F108-I119 HydrophobicContact CE1-CD1 3.34Å; F108-I119 HydrophobicContact CZ-CD1 4.14Å |
| 109 | G | 88.1 | Confident | 88.9 | Confident | 32 Ų | 32 | 63.6 Ų | 63.6 | 33% | 0.33 | 36% | 0.355 | S | S | . | . | trans | 68.3 | -179.7 | -165.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | H105 | H105-G109 WeakPolarHBondContact O-CA 3.41Å; H105-G109 PolarHBondContact O-N 2.96Å; H105-G109 VanDerWaalsContact O-N 3.07Å | ||
| 110 | C | 89 | Confident | 89.1 | Confident | 67 Ų | 67 | 65.4 Ų | 65.4 | 45% | 0.453 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -138.4 | 130.7 | -179.6 | -76.6 | 0 | 0 | 0 | 0 | 111.4 | C101 | C101-C110 WeakPolarHBondContact CA-SG 3.44Å; C101-C110 HydrophobicContact CB-CB 4.16Å; C101-C110 WeakPolarHBondContact CB-SG 3.24Å; C101-C110 WeakPolarHBondContact SG-CB 3.34Å; C101-C110 CovalentContact SG-SG 2.02Å; C101-C110 PolarHBondContact SG-SG 3.39Å |
| 111 | P | 90 | Very high | 89.3 | Confident | 106 Ų | 106 | 69.6 Ų | 69.6 | 69% | 0.688 | 38% | 0.381 | S | S | * | . | S | Bend | cis | -72.2 | 150 | -1.6 | 31.2 | -35.6 | 0 | 0 | 0 | 112.7 | K113 | P111-K113 PolarHBondContact O-N 2.83Š|
| 112 | I | 90 | Very high | 89.4 | Confident | 15 Ų | 15 | 71.5 Ų | 71.5 | 8% | 0.077 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 131.4 | 174.5 | -58.1 | -177.3 | 0 | 0 | 0 | 109 | I58 P62 V100 T104 F108 | I58-I112 HydrophobicContact CD1-CG2 3.55Å; P62-I112 HydrophobicContact CG-CB 3.92Å; P62-I112 HydrophobicContact CG-CD1 3.96Å; P62-I112 HydrophobicContact CG-CG1 4.43Å; P62-I112 HydrophobicContact CG-CG2 4.13Å; V100-I112 HydrophobicContact CG1-CD1 3.39Å; V100-I112 HydrophobicContact CG1-CG1 4.35Å; T104-I112 HydrophobicContact CG2-CD1 4.4Å; T104-I112 WeakPolarHBondContact OG1-CD1 3.47Å; F108-I112 HydrophobicContact CB-CD1 4.32Å; F108-I112 HydrophobicContact CB-CG1 4.05Å; F108-I112 HydrophobicContact CB-CG2 4.38Å; F108-I112 HydrophobicContact CD2-CD1 3.89Å |
| 113 | K | 92.8 | Very high | 89.4 | Confident | 143 Ų | 143 | 70.7 Ų | 70.7 | 62% | 0.622 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -103.8 | 156.3 | 178.9 | -62.6 | -178.3 | -177.8 | 177.6 | 0 | 110.3 | P111 S115 Y117 | P111-K113 PolarHBondContact O-N 2.83Å; K113-S115 PolarHBondContact O-N 2.9Å; K113-Y117 PolarHBondContact N-OH 3.47Å; K113-Y117 WeakPolarHBondContact O-CE2 3.22Å; K113-Y117 PolarHBondContact O-OH 3.02Å; K113-Y117 VanDerWaalsContact O-OH 3.07Å |
| 114 | A | 92.6 | Very high | 90 | Very high | 51 Ų | 51 | 72 Ų | 72 | 42% | 0.421 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -66.6 | 116.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | I58 S59 P61 | I58-A114 CarbonylContact O-C 3.45Å; I58-A114 WeakPolarHBondContact O-CA 3.41Å; I58-A114 WeakPolarHBondContact O-CB 3.45Å; S59-A114 WeakPolarHBondContact O-CB 3.46Å; P61-A114 HydrophobicContact CG-CB 4.32Å |
| 115 | S | 93.9 | Very high | 89.9 | Confident | 58 Ų | 58 | 72.7 Ų | 72.7 | 41% | 0.406 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.3 | 165.8 | -178.2 | -166.3 | 0 | 0 | 0 | 0 | 110.9 | I58 K113 Y117 | I58-S115 PolarHBondContact N-O 3.24Å; I58-S115 PolarHBondContact O-N 3.49Å; K113-S115 PolarHBondContact O-N 2.9Å; S115-Y117 WeakPolarHBondContact O-CD2 3.22Å |
| 116 | Y | 94.2 | Very high | 89.5 | Confident | 117 Ų | 117 | 73.7 Ų | 73.7 | 46% | 0.459 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 118.6 | 162.6 | -167.5 | -96.5 | 0 | 0 | 0 | 109.7 | D35 N57 | D35-Y116 WeakPolarHBondContact OD2-CE2 3.4Å; N57-Y116 HydrophobicContact CB-CD2 3.92Å; N57-Y116 HydrophobicContact CB-CE2 4.37Å |
| 117 | Y | 93.4 | Very high | 88.9 | Confident | 39 Ų | 39 | 70.7 Ų | 70.7 | 15% | 0.153 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 130.7 | 177.9 | -65 | -92.2 | 0 | 0 | 0 | 110 | R55 V56 I58 F108 K113 S115 | R55-Y117 WeakPolarHBondContact CA-O 3.19Å; V56-Y117 HydrophobicContact CG1-CD2 4.47Å; V56-Y117 PolarHBondContact N-O 3.46Å; V56-Y117 PolarHBondContact O-N 3.45Å; I58-Y117 HydrophobicContact CB-CE2 4.43Å; I58-Y117 HydrophobicContact CD1-CD2 4.06Å; I58-Y117 HydrophobicContact CD1-CE2 3.82Å; I58-Y117 HydrophobicContact CG1-CD2 4.25Å; I58-Y117 HydrophobicContact CG1-CE2 4.24Å; F108-Y117 HydrophobicContact CB-CD1 4.5Å; F108-Y117 HydrophobicContact CB-CE1 4.04Å; F108-Y117 AromaticContact CD1-CD1 3.61Å; F108-Y117 HydrophobicContact CD1-CD1 3.61Å; F108-Y117 HydrophobicContact CD1-CD2 4.03Å; F108-Y117 AromaticContact CD1-CE1 3.98Å; F108-Y117 HydrophobicContact CD1-CE1 3.98Å; F108-Y117 HydrophobicContact CD1-CE2 4.38Å; F108-Y117 AromaticContact CD1-CG 3.62Å; F108-Y117 HydrophobicContact CD1-CG 3.62Å; F108-Y117 HydrophobicContact CE1-CD1 4.39Å; F108-Y117 HydrophobicContact CE1-CD2 4.35Å; F108-Y117 AromaticContact CE1-CG 3.99Å; F108-Y117 HydrophobicContact CE1-CG 3.99Å; F108-Y117 HydrophobicContact CG-CD1 4.48Å; F108-Y117 HydrophobicContact CG-CE1 4.43Å; K113-Y117 PolarHBondContact N-OH 3.47Å; K113-Y117 WeakPolarHBondContact O-CE2 3.22Å; K113-Y117 PolarHBondContact O-OH 3.02Å; K113-Y117 VanDerWaalsContact O-OH 3.07Å; S115-Y117 WeakPolarHBondContact O-CD2 3.22Å |
| 118 | S | 95 | Very high | 87.8 | Confident | 84 Ų | 84 | 71.7 Ų | 71.7 | 59% | 0.587 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 107 | 171.6 | -178.6 | 0 | 0 | 0 | 0 | 108.3 | ||
| 119 | I | 91.8 | Very high | 86.4 | Confident | 12 Ų | 12 | 77.1 Ų | 77.1 | 6% | 0.062 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 133.2 | -175.5 | -62.4 | 158.1 | 0 | 0 | 0 | 108.2 | T53 L54 L107 F108 E121 | T53-I119 CarbonylContact C-O 3.52Å; T53-I119 VanDerWaalsContact CA-O 3.31Å; T53-I119 WeakPolarHBondContact CA-O 3.4Å; L54-I119 HydrophobicContact CB-CB 4.23Å; L54-I119 HydrophobicContact CD2-CD1 4Å; L54-I119 HydrophobicContact CG-CD1 4.37Å; L54-I119 PolarHBondContact N-O 3Å; L54-I119 PolarHBondContact O-N 2.75Å; L107-I119 HydrophobicContact CB-CD1 3.85Å; L107-I119 HydrophobicContact CD2-CD1 4.09Å; L107-I119 HydrophobicContact CD2-CG2 3.89Å; L107-I119 HydrophobicContact CG-CD1 4.48Å; F108-I119 HydrophobicContact CD1-CD1 3.82Å; F108-I119 HydrophobicContact CE1-CD1 3.34Å; F108-I119 HydrophobicContact CZ-CD1 4.14Å; I119-E121 HydrophobicContact CG2-CB 3.99Å; I119-E121 HydrophobicContact CG2-CG 3.66Å |
| 120 | D | 93.9 | Very high | 85 | Confident | 77 Ų | 77 | 79.2 Ų | 79.2 | 41% | 0.412 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 88.9 | 169.2 | -172.6 | 8 | 0 | 0 | 0 | 107.1 | R51 L52 T53 | R51-D120 IonicContact CZ-OD1 2.72Å; R51-D120 IonicContact CZ-OD2 3.73Å; R51-D120 IonicContact NE-OD1 3.49Å; R51-D120 PolarHBondContact NE-OD1 3.49Å; R51-D120 IonicContact NE-OD2 3.15Å; R51-D120 IonicContact NH2-OD1 2.94Å; R51-D120 PolarHBondContact NH2-OD1 2.93Å; R51-D120 IonicContact NH2-OD2 3.14Å; R51-D120 PolarHBondContact NH2-OD2 3.14Å; L52-D120 WeakPolarHBondContact O-CA 3.49Å; T53-D120 PolarHBondContact OG1-OD1 2.7Å |
| 121 | E | 91.3 | Very high | 83.5 | Confident | 106 Ų | 106 | 78.4 Ų | 78.4 | 50% | 0.495 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 153.7 | -168 | -72.1 | -66.6 | 173.7 | 0 | 0 | 111.2 | R51 L52 I119 F123 | R51-E121 WeakPolarHBondContact CA-O 3.12Å; L52-E121 PolarHBondContact N-O 3Å; L52-E121 PolarHBondContact O-N 3.22Å; I119-E121 HydrophobicContact CG2-CB 3.99Å; I119-E121 HydrophobicContact CG2-CG 3.66Å; E121-F123 HydrophobicContact CB-CD2 4.49Å; E121-F123 HydrophobicContact CB-CE2 3.58Å; E121-F123 HydrophobicContact CB-CZ 3.73Å |
| 122 | T | 91.8 | Very high | 81.9 | Confident | 87 Ų | 87 | 76.7 Ų | 76.7 | 53% | 0.534 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 125.2 | -179 | -58.2 | 0 | 0 | 0 | 0 | 110.6 | I49 L50 | I49-T122 HydrophobicContact CG2-CG2 3.16Å; L50-T122 CarbonylContact O-C 3.53Å; L50-T122 WeakPolarHBondContact O-CA 3.47Å |
| 123 | F | 86.5 | Confident | 80.2 | Confident | 42 Ų | 42 | 78.7 Ų | 78.7 | 18% | 0.184 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 139.5 | -176.2 | -59.7 | -88.7 | 0 | 0 | 0 | 111 | L50 L52 E106 L107 E121 L125 | L50-F123 HydrophobicContact CB-CB 4.44Å; L50-F123 PolarHBondContact N-O 2.79Å; L50-F123 PolarHBondContact O-N 3.36Å; L52-F123 HydrophobicContact CB-CD2 4.14Å; L52-F123 HydrophobicContact CB-CE2 3.88Å; L52-F123 HydrophobicContact CD2-CE2 4.1Å; E106-F123 HydrophobicContact CB-CE1 4.49Å; L107-F123 HydrophobicContact CD2-CE1 4.5Å; L107-F123 HydrophobicContact CD2-CE2 4.25Å; L107-F123 HydrophobicContact CD2-CZ 3.6Å; E121-F123 HydrophobicContact CB-CD2 4.49Å; E121-F123 HydrophobicContact CB-CE2 3.58Å; E121-F123 HydrophobicContact CB-CZ 3.73Å; F123-L125 PolarHBondContact O-N 2.93Å |
| 124 | L | 87.1 | Confident | 78.8 | Confident | 138 Ų | 138 | 78.8 Ų | 78.8 | 72% | 0.723 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 108.3 | 170 | -73 | 167.6 | 0 | 0 | 0 | 109.8 | I49 K126 | I49-L124 HydrophobicContact CG1-CD2 3.93Å; L124-K126 PolarHBondContact O-N 2.78Å |
| 125 | L | 81.5 | Confident | 77.3 | Confident | 42 Ų | 42 | 80.3 Ų | 80.3 | 22% | 0.22 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 113.6 | 173.8 | -62.3 | -176.7 | 0 | 0 | 0 | 109.8 | L44 V46 P47 G48 L50 F123 | L44-L125 HydrophobicContact CD1-CD1 3.57Å; L44-L125 HydrophobicContact CD2-CD1 3.49Å; L44-L125 VanDerWaalsContact CD2-CD1 3.49Å; L44-L125 HydrophobicContact CG-CD1 3.53Å; V46-L125 HydrophobicContact CG2-CD1 4.04Å; P47-L125 CarbonylContact C-O 3.55Å; P47-L125 WeakPolarHBondContact CA-O 3.32Å; P47-L125 VanDerWaalsContact CB-O 3.28Å; P47-L125 WeakPolarHBondContact CB-O 3.04Å; G48-L125 PolarHBondContact N-O 3.44Å; G48-L125 PolarHBondContact O-N 3.18Å; L50-L125 HydrophobicContact CB-CD1 3.78Å; L50-L125 HydrophobicContact CB-CD2 4.18Å; L50-L125 HydrophobicContact CB-CG 3.79Å; L50-L125 HydrophobicContact CD2-CD1 4.42Å; L50-L125 HydrophobicContact CD2-CD2 4.08Å; F123-L125 PolarHBondContact O-N 2.93Å |
| 126 | K | 79.9 | Confident | 75.8 | Confident | 121 Ų | 121 | 80.9 Ų | 80.9 | 53% | 0.526 | 42% | 0.417 | S | S | . | . | trans | -87.5 | 154.4 | 173.3 | -61.9 | -179.9 | -177.7 | -179.8 | 0 | 110.3 | L124 | L124-K126 PolarHBondContact O-N 2.78Š| ||
| 127 | N | 69.6 | Low | 74.4 | Confident | 69 Ų | 69 | 81.7 Ų | 81.7 | 37% | 0.369 | 43% | 0.425 | S | S | . | . | trans | -52.6 | 133 | 176.8 | -165.6 | 18.6 | 0 | 0 | 0 | 110 | E129 T130 S131 | N127-E129 PolarHBondContact O-N 3.27Å; N127-T130 PolarHBondContact O-N 2.81Å; N127-T130 PolarHBondContact O-OG1 2.85Å; N127-S131 PolarHBondContact O-N 3.2Å | ||
| 128 | P | 63.1 | Low | 73 | Confident | 63 Ų | 63 | 84.4 Ų | 84.4 | 41% | 0.409 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -57.1 | -30.8 | -171.4 | -25 | 34.9 | 0 | 0 | 0 | 113.2 | V46 T130 S131 L132 | V46-P128 HydrophobicContact CG1-CG 4.3Å; P128-T130 VanDerWaalsContact C-N 3.33Å; P128-T130 PolarHBondContact O-N 3.11Å; P128-S131 PolarHBondContact O-N 2.77Å; P128-L132 HydrophobicContact CB-CD1 4.37Å; P128-L132 WeakPolarHBondContact O-CB 3.04Å; P128-L132 VanDerWaalsContact O-CG 3.24Å; P128-L132 WeakPolarHBondContact O-CG 3.48Å; P128-L132 PolarHBondContact O-N 2.8Å |
| 129 | E | 59.6 | Low | 71.5 | Confident | 151 Ų | 151 | 82.7 Ų | 82.7 | 71% | 0.706 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -62 | -40.3 | 177.8 | -60.2 | -177.3 | 159.1 | 0 | 0 | 112.3 | N127 S133 | N127-E129 PolarHBondContact O-N 3.27Å; E129-S133 WeakPolarHBondContact O-CB 3.24Å; E129-S133 PolarHBondContact O-N 2.96Å; E129-S133 PolarHBondContact O-OG 2.86Å |
| 130 | T | 57.3 | Low | 70.1 | Confident | 76 Ų | 76 | 90.3 Ų | 90.3 | 47% | 0.466 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -74.7 | -33 | 177.1 | 63.1 | 0 | 0 | 0 | 0 | 112.4 | N127 P128 S133 R134 | N127-T130 PolarHBondContact O-N 2.81Å; N127-T130 PolarHBondContact O-OG1 2.85Å; P128-T130 VanDerWaalsContact C-N 3.33Å; P128-T130 PolarHBondContact O-N 3.11Å; T130-S133 PolarHBondContact O-OG 3.13Å; T130-S133 VanDerWaalsContact O-OG 3.05Å; T130-R134 WeakPolarHBondContact O-CB 3.3Å; T130-R134 PolarHBondContact O-N 3.37Å |
| 131 | S | 59 | Low | 68.8 | Low | 49 Ų | 49 | 89.3 Ų | 89.3 | 34% | 0.343 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -77.8 | -43.1 | 179.3 | -64.4 | 0 | 0 | 0 | 0 | 112.1 | N127 P128 R134 L135 | N127-S131 PolarHBondContact O-N 3.2Å; P128-S131 PolarHBondContact O-N 2.77Å; S131-R134 PolarHBondContact O-N 2.04Å; S131-L135 VanDerWaalsContact O-CB 3.3Å; S131-L135 WeakPolarHBondContact O-CB 3.28Å; S131-L135 PolarHBondContact O-N 3.07Å |
| 132 | L | 56.3 | Low | 67.4 | Low | 71 Ų | 71 | 90.7 Ų | 90.7 | 37% | 0.372 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.9 | -42.4 | 179.9 | -74.7 | 168.6 | 0 | 0 | 0 | 111.6 | F90 P128 R134 L135 L136 | F90-L132 HydrophobicContact CD2-CD1 4.42Å; F90-L132 HydrophobicContact CD2-CD2 4.24Å; P128-L132 HydrophobicContact CB-CD1 4.37Å; P128-L132 WeakPolarHBondContact O-CB 3.04Å; P128-L132 VanDerWaalsContact O-CG 3.24Å; P128-L132 WeakPolarHBondContact O-CG 3.48Å; P128-L132 PolarHBondContact O-N 2.8Å; L132-R134 VanDerWaalsContact C-N 3.32Å; L132-R134 PolarHBondContact O-N 3.5Å; L132-L135 PolarHBondContact O-N 3.44Å; L132-L136 WeakPolarHBondContact O-CB 3.45Å; L132-L136 WeakPolarHBondContact O-CG 3.27Å; L132-L136 PolarHBondContact O-N 2.98Å |
| 133 | S | 54.8 | Low | 65.7 | Low | 57 Ų | 57 | 94.9 Ų | 94.9 | 40% | 0.399 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -58.7 | -45 | 174.9 | 49.3 | 0 | 0 | 0 | 0 | 111.5 | E129 T130 Q137 | E129-S133 WeakPolarHBondContact O-CB 3.24Å; E129-S133 PolarHBondContact O-N 2.96Å; E129-S133 PolarHBondContact O-OG 2.86Å; T130-S133 PolarHBondContact O-OG 3.13Å; T130-S133 VanDerWaalsContact O-OG 3.05Å; S133-Q137 WeakPolarHBondContact O-CB 2.84Å; S133-Q137 WeakPolarHBondContact O-CG 3.48Å; S133-Q137 PolarHBondContact O-N 2.88Å |
| 134 | R | 62.1 | Low | 64.4 | Low | 144 Ų | 144 | 96.6 Ų | 96.6 | 54% | 0.543 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.7 | -41.6 | 176.5 | -175.3 | 175.1 | 159.1 | 162.5 | -6.2 | 112.9 | T130 S131 L132 Q137 Q138 | T130-R134 WeakPolarHBondContact O-CB 3.3Å; T130-R134 PolarHBondContact O-N 3.37Å; S131-R134 PolarHBondContact O-N 2.04Å; L132-R134 VanDerWaalsContact C-N 3.32Å; L132-R134 PolarHBondContact O-N 3.5Å; R134-Q137 WeakPolarHBondContact O-CB 2.91Å; R134-Q137 PolarHBondContact O-N 2.89Å; R134-Q138 WeakPolarHBondContact O-CG 3.25Å; R134-Q138 PolarHBondContact O-N 3.23Å |
| 135 | L | 60.8 | Low | 62.7 | Low | 84 Ų | 84 | 97.3 Ų | 97.3 | 44% | 0.44 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70.1 | -39.8 | -179.4 | -153.7 | 133.9 | 0 | 0 | 0 | 111 | S131 L132 Q138 V139 | S131-L135 VanDerWaalsContact O-CB 3.3Å; S131-L135 WeakPolarHBondContact O-CB 3.28Å; S131-L135 PolarHBondContact O-N 3.07Å; L132-L135 PolarHBondContact O-N 3.44Å; L135-Q138 PolarHBondContact O-N 3.42Å; L135-V139 HydrophobicContact CD2-CG2 4.47Å; L135-V139 WeakPolarHBondContact O-CG2 3.18Å; L135-V139 PolarHBondContact O-N 2.77Å |
| 136 | L | 62.2 | Low | 60.9 | Low | 70 Ų | 70 | 106 Ų | 106 | 37% | 0.366 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -58 | -53.3 | 168.2 | -73.5 | 169.8 | 0 | 0 | 0 | 109.6 | L132 Q138 V139 W140 | L132-L136 WeakPolarHBondContact O-CB 3.45Å; L132-L136 WeakPolarHBondContact O-CG 3.27Å; L132-L136 PolarHBondContact O-N 2.98Å; L136-Q138 PolarHBondContact O-N 3.1Å; L136-V139 PolarHBondContact O-N 2.76Å; L136-W140 VanDerWaalsContact C-CD1 3.46Å; L136-W140 WeakPolarHBondContact O-CB 3.16Å; L136-W140 PolarHBondContact O-N 2.92Å |
| 137 | Q | 64.8 | Low | 60 | Low | 134 Ų | 134 | 105.3 Ų | 105.3 | 63% | 0.626 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -52.9 | -40.9 | 177.6 | -78.6 | 171.9 | -14.9 | 0 | 0 | 112.6 | S133 R134 A141 | S133-Q137 WeakPolarHBondContact O-CB 2.84Å; S133-Q137 WeakPolarHBondContact O-CG 3.48Å; S133-Q137 PolarHBondContact O-N 2.88Å; R134-Q137 WeakPolarHBondContact O-CB 2.91Å; R134-Q137 PolarHBondContact O-N 2.89Å; Q137-A141 WeakPolarHBondContact O-CB 3.46Å; Q137-A141 PolarHBondContact O-N 2.91Å |
| 138 | Q | 65.3 | Low | 59.5 | Low | 95 Ų | 95 | 107.2 Ų | 107.2 | 44% | 0.444 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.3 | -42.8 | 175.7 | -74.6 | 178.5 | -32.4 | 0 | 0 | 112.8 | R134 L135 L136 A141 K142 | R134-Q138 WeakPolarHBondContact O-CG 3.25Å; R134-Q138 PolarHBondContact O-N 3.23Å; L135-Q138 PolarHBondContact O-N 3.42Å; L136-Q138 PolarHBondContact O-N 3.1Å; Q138-A141 PolarHBondContact O-N 2.98Å; Q138-K142 PolarHBondContact O-N 3.23Å |
| 139 | V | 63.9 | Low | 59.3 | Low | 49 Ų | 49 | 109.7 Ų | 109.7 | 30% | 0.297 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.8 | -44 | 176.1 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | L135 L136 K142 R143 | L135-V139 HydrophobicContact CD2-CG2 4.47Å; L135-V139 WeakPolarHBondContact O-CG2 3.18Å; L135-V139 PolarHBondContact O-N 2.77Å; L136-V139 PolarHBondContact O-N 2.76Å; V139-K142 PolarHBondContact O-N 2.9Å; V139-R143 PolarHBondContact O-N 3.34Å |
| 140 | W | 61 | Low | 59.3 | Low | 171 Ų | 171 | 107.2 Ų | 107.2 | 65% | 0.648 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.6 | -44.1 | 176 | -73.1 | 108 | 0 | 0 | 0 | 111.5 | L136 K142 R143 A144 | L136-W140 VanDerWaalsContact C-CD1 3.46Å; L136-W140 WeakPolarHBondContact O-CB 3.16Å; L136-W140 PolarHBondContact O-N 2.92Å; W140-K142 VanDerWaalsContact C-N 3.35Å; W140-K142 PolarHBondContact O-N 3.27Å; W140-R143 PolarHBondContact O-N 2.87Å; W140-A144 WeakPolarHBondContact O-CB 3.33Å; W140-A144 PolarHBondContact O-N 3.17Å |
| 141 | A | 67.6 | Low | 59.4 | Low | 56 Ų | 56 | 109.2 Ų | 109.2 | 46% | 0.463 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63 | -39 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q137 Q138 A144 N145 | Q137-A141 WeakPolarHBondContact O-CB 3.46Å; Q137-A141 PolarHBondContact O-N 2.91Å; Q138-A141 PolarHBondContact O-N 2.98Å; A141-A144 PolarHBondContact O-N 3.1Å; A141-N145 PolarHBondContact O-N 2.82Å |
| 142 | K | 61.5 | Low | 59.4 | Low | 136 Ų | 136 | 113.2 Ų | 113.2 | 59% | 0.591 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -68.2 | -38 | 174 | -85.1 | -156.6 | 174.1 | -163.5 | 0 | 112.8 | Q138 V139 W140 N145 | Q138-K142 PolarHBondContact O-N 3.23Å; V139-K142 PolarHBondContact O-N 2.9Å; W140-K142 VanDerWaalsContact C-N 3.35Å; W140-K142 PolarHBondContact O-N 3.27Å; K142-N145 PolarHBondContact O-N 2.87Å |
| 143 | R | 57 | Low | 59.7 | Low | 175 Ų | 175 | 116.2 Ų | 116.2 | 66% | 0.66 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -71.5 | -27.1 | 176 | -78.6 | -173.2 | -175.5 | 176.7 | 1.4 | 113.7 | V139 W140 N145 | V139-R143 PolarHBondContact O-N 3.34Å; W140-R143 PolarHBondContact O-N 2.87Å; R143-N145 VanDerWaalsContact C-N 3.29Å |
| 144 | A | 58 | Low | 60 | Low | 78 Ų | 78 | 120.8 Ų | 120.8 | 65% | 0.645 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -77.4 | -15.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | W140 A141 | W140-A144 WeakPolarHBondContact O-CB 3.33Å; W140-A144 PolarHBondContact O-N 3.17Å; A141-A144 PolarHBondContact O-N 3.1Å |
| 145 | N | 52.5 | Low | 59.9 | Low | 152 Ų | 152 | 118.8 Ų | 118.8 | 81% | 0.813 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.6 | 16.1 | 178.9 | -82 | -8.6 | 0 | 0 | 0 | 113.2 | A141 K142 R143 | A141-N145 PolarHBondContact O-N 2.82Å; K142-N145 PolarHBondContact O-N 2.87Å; R143-N145 VanDerWaalsContact C-N 3.29Å |
| 146 | Q | 43.7 | Very low | 59.8 | Low | 226 Ų | 226 | 122 Ų | 122 | 100% | 1.056 | 60% | 0.601 | S | S | * | * | trans | -119.7 | 0 | 167.3 | -80.5 | -178.7 | -0.1 | 0 | 0 | 108.9 |
Retrieved 146 of 146 residues in 99.1 ms
(Link to these results)