| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.9 | Very low | 52.9 | Low | 245 Ų | 245 | 144.8 Ų | 144.8 | 100% | 1.207 | 84% | 0.838 | S | S | * | * | 0 | 91.9 | 0 | -74.1 | 158.9 | 170.8 | 0 | 0 | 108.2 | |||||
| 2 | S | 45.9 | Very low | 56.2 | Low | 125 Ų | 125 | 139.2 Ų | 139.2 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | -138 | 94.7 | 166.8 | -70.8 | 0 | 0 | 0 | 0 | 106.5 | A4 | S2-A4 PolarHBondContact O-N 2.89Š| ||
| 3 | Q | 40.2 | Very low | 59 | Low | 195 Ų | 195 | 138.5 Ų | 138.5 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | trans | -75.3 | 109.1 | 172 | -70.6 | -177.9 | 12.8 | 0 | 0 | 107.5 | V5 | Q3-V5 PolarHBondContact O-N 3.01Š| ||
| 4 | A | 42.3 | Very low | 61.5 | Low | 95 Ų | 95 | 135.6 Ų | 135.6 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -73.2 | 113.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | S2 Q6 | S2-A4 PolarHBondContact O-N 2.89Å; A4-Q6 PolarHBondContact O-N 3.28Å | ||
| 5 | V | 46.5 | Very low | 63.7 | Low | 126 Ų | 126 | 134.1 Ų | 134.1 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | trans | -63 | 120.2 | 170.4 | 171.2 | 0 | 0 | 0 | 0 | 108.2 | Q3 T7 | Q3-V5 PolarHBondContact O-N 3.01Å; V5-T7 PolarHBondContact O-N 2.97Å | ||
| 6 | Q | 36 | Very low | 65.6 | Low | 191 Ų | 191 | 130.8 Ų | 130.8 | 89% | 0.893 | 76% | 0.755 | S | S | * | * | trans | -65.1 | 101.5 | 174.3 | -69.4 | 173.2 | 6.7 | 0 | 0 | 109.4 | A4 | A4-Q6 PolarHBondContact O-N 3.28Š| ||
| 7 | T | 45.3 | Very low | 67.4 | Low | 124 Ų | 124 | 134.2 Ų | 134.2 | 76% | 0.761 | 75% | 0.753 | S | S | * | * | trans | -85.5 | 121.9 | 164.2 | 55.4 | 0 | 0 | 0 | 0 | 108.5 | V5 G9 | V5-T7 PolarHBondContact O-N 2.97Å; T7-G9 PolarHBondContact O-N 3.14Å; T7-G9 VanDerWaalsContact O-N 3.08Å | ||
| 8 | N | 53 | Low | 69 | Low | 160 Ų | 160 | 133.2 Ų | 133.2 | 86% | 0.856 | 74% | 0.741 | S | S | * | * | trans | -41.1 | 111.4 | 176.6 | -85.1 | -24.2 | 0 | 0 | 0 | 113.7 | T10 | N8-T10 PolarHBondContact O-N 3.37Š| ||
| 9 | G | 61.5 | Low | 70.5 | Confident | 75 Ų | 75 | 131.3 Ų | 131.3 | 77% | 0.773 | 73% | 0.729 | S | S | * | * | trans | 65.9 | 4 | 134.7 | 0 | 0 | 0 | 0 | 0 | 121.2 | T7 Q11 | T7-G9 PolarHBondContact O-N 3.14Å; T7-G9 VanDerWaalsContact O-N 3.08Å; G9-Q11 PolarHBondContact O-N 3.39Å | ||
| 10 | T | 81.1 | Confident | 71.8 | Confident | 136 Ų | 136 | 127.5 Ų | 127.5 | 83% | 0.834 | 71% | 0.711 | S | S | * | * | trans | -79.8 | 113.3 | 179.9 | -53.8 | 0 | 0 | 0 | 0 | 110.4 | N8 | N8-T10 PolarHBondContact O-N 3.37Š| ||
| 11 | Q | 89.5 | Confident | 73 | Confident | 121 Ų | 121 | 128.6 Ų | 128.6 | 57% | 0.565 | 72% | 0.715 | S | S | * | * | trans | -67.1 | 151.2 | 176.5 | -68 | -68.2 | -13.6 | 0 | 0 | 111.3 | G9 K15 | G9-Q11 PolarHBondContact O-N 3.39Å; Q11-K15 HydrophobicContact CB-CB 4.48Å | ||
| 12 | P | 92.5 | Very high | 75.7 | Confident | 77 Ų | 77 | 123.4 Ų | 123.4 | 50% | 0.5 | 68% | 0.683 | S | S | . | * | trans | -54.9 | 144.9 | 172.5 | -23.9 | 33.7 | 0 | 0 | 0 | 111.6 | S14 K15 T16 | P12-S14 PolarHBondContact O-N 2.75Å; P12-S14 VanDerWaalsContact O-N 3.16Å; P12-K15 HydrophobicContact CB-CB 4.48Å; P12-K15 WeakPolarHBondContact O-CA 3.49Å; P12-K15 WeakPolarHBondContact O-CB 3.43Å; P12-K15 PolarHBondContact O-N 3.44Å; P12-T16 PolarHBondContact O-N 3.04Å; P12-T16 PolarHBondContact O-OG1 3.46Å | ||
| 13 | L | 92.2 | Very high | 78.2 | Confident | 130 Ų | 130 | 121.4 Ų | 121.4 | 68% | 0.681 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -56.3 | -36.5 | -178.1 | -168.8 | 68.9 | 0 | 0 | 0 | 112.4 | K15 T16 W17 | L13-K15 VanDerWaalsContact C-N 3.28Å; L13-K15 PolarHBondContact O-N 3.13Å; L13-T16 PolarHBondContact O-N 3.07Å; L13-W17 VanDerWaalsContact O-CD1 3.22Å; L13-W17 PolarHBondContact O-N 3.06Å |
| 14 | S | 93.8 | Very high | 80.9 | Confident | 99 Ų | 99 | 117.8 Ų | 117.8 | 69% | 0.692 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -62.3 | -34 | 174.9 | 52.8 | 0 | 0 | 0 | 0 | 112.9 | P12 E18 | P12-S14 PolarHBondContact O-N 2.75Å; P12-S14 VanDerWaalsContact O-N 3.16Å; S14-E18 WeakPolarHBondContact O-CB 3.43Å; S14-E18 PolarHBondContact O-N 2.86Å |
| 15 | K | 94.5 | Very high | 83.5 | Confident | 112 Ų | 112 | 119.2 Ų | 119.2 | 49% | 0.487 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -80.5 | -38.7 | 179.1 | -173.2 | 57.3 | 178.5 | 177.3 | 0 | 112.1 | Q11 P12 L13 W17 E18 | Q11-K15 HydrophobicContact CB-CB 4.48Å; P12-K15 HydrophobicContact CB-CB 4.48Å; P12-K15 WeakPolarHBondContact O-CA 3.49Å; P12-K15 WeakPolarHBondContact O-CB 3.43Å; P12-K15 PolarHBondContact O-N 3.44Å; L13-K15 VanDerWaalsContact C-N 3.28Å; L13-K15 PolarHBondContact O-N 3.13Å; K15-W17 VanDerWaalsContact C-N 3.27Å; K15-W17 PolarHBondContact O-N 2.75Å; K15-E18 WeakPolarHBondContact CD-OE2 3.32Å; K15-E18 WeakPolarHBondContact CE-OE2 3.3Å; K15-E18 IonicContact NZ-OE2 2.87Å; K15-E18 PolarHBondContact NZ-OE2 3.24Å; K15-E18 PolarHBondContact O-N 2.94Å |
| 16 | T | 94.5 | Very high | 85.9 | Confident | 81 Ų | 81 | 119.8 Ų | 119.8 | 50% | 0.497 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -61.5 | -34.8 | 179.8 | -58 | 0 | 0 | 0 | 0 | 112.7 | P12 L13 | P12-T16 PolarHBondContact O-N 3.04Å; P12-T16 PolarHBondContact O-OG1 3.46Å; L13-T16 PolarHBondContact O-N 3.07Å |
| 17 | W | 95.7 | Very high | 88.8 | Confident | 190 Ų | 190 | 115.7 Ų | 115.7 | 72% | 0.72 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | 12.6 | -179.5 | -54.6 | 111.7 | 0 | 0 | 0 | 113.3 | L13 K15 L19 | L13-W17 VanDerWaalsContact O-CD1 3.22Å; L13-W17 PolarHBondContact O-N 3.06Å; K15-W17 VanDerWaalsContact C-N 3.27Å; K15-W17 PolarHBondContact O-N 2.75Å; W17-L19 PolarHBondContact O-N 3.19Å |
| 18 | E | 96.2 | Very high | 91.2 | Very high | 115 Ų | 115 | 114.5 Ų | 114.5 | 54% | 0.537 | 61% | 0.608 | S | S | . | * | P | Polyproline II helix | trans | -71.6 | 117 | 173.4 | -173.5 | -179.5 | -164.8 | 0 | 0 | 109.1 | S14 K15 | S14-E18 WeakPolarHBondContact O-CB 3.43Å; S14-E18 PolarHBondContact O-N 2.86Å; K15-E18 WeakPolarHBondContact CD-OE2 3.32Å; K15-E18 WeakPolarHBondContact CE-OE2 3.3Å; K15-E18 IonicContact NZ-OE2 2.87Å; K15-E18 PolarHBondContact NZ-OE2 3.24Å; K15-E18 PolarHBondContact O-N 2.94Å |
| 19 | L | 97.2 | Very high | 93.3 | Very high | 98 Ų | 98 | 114.1 Ų | 114.1 | 51% | 0.513 | 60% | 0.601 | S | S | . | * | P | Polyproline II helix | trans | -79.1 | 133.8 | 176.2 | -58.5 | -177.9 | 0 | 0 | 0 | 110.3 | W17 E23 L24 | W17-L19 PolarHBondContact O-N 3.19Å; L19-E23 HydrophobicContact CB-CB 4.06Å; L19-E23 HydrophobicContact CD2-CB 4.23Å; L19-L24 HydrophobicContact CB-CD2 4.06Å; L19-L24 HydrophobicContact CB-CG 4.14Å; L19-L24 HydrophobicContact CD1-CD2 4.02Å |
| 20 | S | 96.7 | Very high | 94.9 | Very high | 54 Ų | 54 | 118.4 Ų | 118.4 | 38% | 0.378 | 60% | 0.601 | S | S | . | * | P | Polyproline II helix | trans | -66.1 | 162.8 | 169.2 | 64.3 | 0 | 0 | 0 | 0 | 111.8 | Y22 E23 L24 | S20-Y22 PolarHBondContact O-N 3.47Å; S20-Y22 VanDerWaalsContact O-N 3.16Å; S20-E23 WeakPolarHBondContact CB-OE2 3.36Å; S20-E23 PolarHBondContact N-OE2 3Å; S20-E23 PolarHBondContact O-N 3.19Å; S20-E23 WeakPolarHBondContact OG-CG 3.49Å; S20-E23 PolarHBondContact OG-N 2.93Å; S20-E23 PolarHBondContact OG-OE2 3.07Å; S20-L24 PolarHBondContact O-N 2.88Å; S20-L24 VanDerWaalsContact O-N 3.11Å |
| 21 | L | 97.5 | Very high | 95.5 | Very high | 152 Ų | 152 | 115.8 Ų | 115.8 | 80% | 0.796 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.7 | -30.7 | 173.7 | -63.2 | -179.8 | 0 | 0 | 0 | 112.5 | L24 | L21-L24 HydrophobicContact CD2-CD1 4.42Š|
| 22 | Y | 97.6 | Very high | 95.7 | Very high | 136 Ų | 136 | 115.9 Ų | 115.9 | 53% | 0.533 | 60% | 0.596 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68 | -47.6 | 173.2 | 167.2 | -102.6 | 0 | 0 | 0 | 111.7 | S20 L24 Q25 R26 | S20-Y22 PolarHBondContact O-N 3.47Å; S20-Y22 VanDerWaalsContact O-N 3.16Å; Y22-L24 VanDerWaalsContact C-N 3.3Å; Y22-L24 PolarHBondContact O-N 2.69Å; Y22-Q25 PolarHBondContact O-N 3.4Å; Y22-Q25 PolarHBondContact O-NE2 3.04Å; Y22-R26 HydrophobicContact CE1-CB 4.38Å; Y22-R26 PolarHBondContact O-N 3.28Å; Y22-R26 VanDerWaalsContact O-N 3.08Å |
| 23 | E | 97.6 | Very high | 95.7 | Very high | 83 Ų | 83 | 118.8 Ų | 118.8 | 39% | 0.388 | 61% | 0.612 | S | S | . | * | G | 310 helix | trans | -67.2 | -29.8 | -176.5 | -72.8 | 160.8 | 130.3 | 0 | 0 | 113.2 | L19 S20 Q25 R26 | L19-E23 HydrophobicContact CB-CB 4.06Å; L19-E23 HydrophobicContact CD2-CB 4.23Å; S20-E23 WeakPolarHBondContact CB-OE2 3.36Å; S20-E23 PolarHBondContact N-OE2 3Å; S20-E23 PolarHBondContact O-N 3.19Å; S20-E23 WeakPolarHBondContact OG-CG 3.49Å; S20-E23 PolarHBondContact OG-N 2.93Å; S20-E23 PolarHBondContact OG-OE2 3.07Å; E23-Q25 PolarHBondContact O-N 3.42Å; E23-R26 WeakPolarHBondContact O-CG 3.39Å; E23-R26 PolarHBondContact O-N 3.13Å |
| 24 | L | 97.4 | Very high | 95.6 | Very high | 119 Ų | 119 | 117.9 Ų | 117.9 | 62% | 0.623 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -62.7 | -22.9 | 176.2 | -72.6 | 171.8 | 0 | 0 | 0 | 113.7 | L19 S20 L21 Y22 | L19-L24 HydrophobicContact CB-CD2 4.06Å; L19-L24 HydrophobicContact CB-CG 4.14Å; L19-L24 HydrophobicContact CD1-CD2 4.02Å; S20-L24 PolarHBondContact O-N 2.88Å; S20-L24 VanDerWaalsContact O-N 3.11Å; L21-L24 HydrophobicContact CD2-CD1 4.42Å; Y22-L24 VanDerWaalsContact C-N 3.3Å; Y22-L24 PolarHBondContact O-N 2.69Å |
| 25 | Q | 96.3 | Very high | 95.3 | Very high | 125 Ų | 125 | 117 Ų | 117 | 58% | 0.584 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -123.1 | 9.1 | -178.4 | 62.3 | 75.2 | 59.2 | 0 | 0 | 113.5 | Y22 E23 T27 | Y22-Q25 PolarHBondContact O-N 3.4Å; Y22-Q25 PolarHBondContact O-NE2 3.04Å; E23-Q25 PolarHBondContact O-N 3.42Å; Q25-T27 PolarHBondContact O-N 3.06Å |
| 26 | R | 97.1 | Very high | 95.1 | Very high | 138 Ų | 138 | 117.1 Ų | 117.1 | 52% | 0.521 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -62.9 | 138.7 | -176.2 | 71.9 | -176.1 | -69.6 | -112 | -4.5 | 111.1 | Y22 E23 | Y22-R26 HydrophobicContact CE1-CB 4.38Å; Y22-R26 PolarHBondContact O-N 3.28Å; Y22-R26 VanDerWaalsContact O-N 3.08Å; E23-R26 WeakPolarHBondContact O-CG 3.39Å; E23-R26 PolarHBondContact O-N 3.13Å |
| 27 | T | 97 | Very high | 94.7 | Very high | 104 Ų | 104 | 121.2 Ų | 121.2 | 64% | 0.638 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -88 | 156.1 | 169.7 | 55.4 | 0 | 0 | 0 | 0 | 110.6 | Q25 | Q25-T27 PolarHBondContact O-N 3.06Š|
| 28 | P | 97.3 | Very high | 94.4 | Very high | 100 Ų | 100 | 118.8 Ų | 118.8 | 65% | 0.649 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 148.4 | 170.8 | -24.4 | 35.2 | 0 | 0 | 0 | 111.9 | ||
| 29 | Q | 96 | Very high | 93.9 | Very high | 151 Ų | 151 | 120.3 Ų | 120.3 | 71% | 0.706 | 65% | 0.65 | S | S | * | * | trans | -87.1 | 115 | 167 | -69 | -68.6 | -13.4 | 0 | 0 | 107.2 | ||||
| 30 | E | 95.9 | Very high | 93.4 | Very high | 166 Ų | 166 | 119.5 Ų | 119.5 | 78% | 0.776 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 136.1 | -178.2 | -65.5 | -61.5 | 155.4 | 0 | 0 | 110.6 | ||
| 31 | A | 93.5 | Very high | 92.7 | Very high | 80 Ų | 80 | 120 Ų | 120 | 66% | 0.661 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 138.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | T33 | A31-T33 PolarHBondContact O-N 3.39Š|
| 32 | I | 93.4 | Very high | 92 | Very high | 124 Ų | 124 | 115.3 Ų | 115.3 | 64% | 0.636 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -72 | 117.2 | 173.3 | -62.5 | 163.8 | 0 | 0 | 0 | 107.7 | D34 L36 | I32-D34 WeakPolarHBondContact CG2-OD1 3.41Å; I32-L36 HydrophobicContact CD1-CD2 4.22Å; I32-L36 HydrophobicContact CG2-CB 3.97Å; I32-L36 HydrophobicContact CG2-CD2 4.19Å |
| 33 | T | 92.4 | Very high | 91 | Very high | 137 Ų | 137 | 115.7 Ų | 115.7 | 84% | 0.84 | 63% | 0.631 | S | S | * | * | trans | -115.8 | 2 | -179.7 | 60.9 | 0 | 0 | 0 | 0 | 113.2 | A31 | A31-T33 PolarHBondContact O-N 3.39Š| ||
| 34 | D | 90.5 | Very high | 90.4 | Very high | 112 Ų | 112 | 115 Ų | 115 | 60% | 0.599 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -83.1 | 174 | 171.3 | 62 | 7.5 | 0 | 0 | 0 | 110.5 | I32 L36 | I32-D34 WeakPolarHBondContact CG2-OD1 3.41Å; D34-L36 PolarHBondContact O-N 2.96Å; D34-L36 WeakPolarHBondContact OD1-CB 3.47Å; D34-L36 PolarHBondContact OD1-N 2.7Å |
| 35 | G | 87.3 | Confident | 89.8 | Confident | 79 Ų | 79 | 111.9 Ų | 111.9 | 81% | 0.814 | 62% | 0.619 | S | S | * | * | trans | -75.9 | 26.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | E37 | G35-E37 PolarHBondContact O-N 3.44Š| ||
| 36 | L | 89.9 | Confident | 89.2 | Confident | 115 Ų | 115 | 108.8 Ų | 108.8 | 60% | 0.602 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 121.5 | -179.3 | -179.4 | 63.1 | 0 | 0 | 0 | 110.6 | I32 D34 | I32-L36 HydrophobicContact CD1-CD2 4.22Å; I32-L36 HydrophobicContact CG2-CB 3.97Å; I32-L36 HydrophobicContact CG2-CD2 4.19Å; D34-L36 PolarHBondContact O-N 2.96Å; D34-L36 WeakPolarHBondContact OD1-CB 3.47Å; D34-L36 PolarHBondContact OD1-N 2.7Å |
| 37 | E | 87 | Confident | 88.8 | Confident | 168 Ų | 168 | 106.3 Ų | 106.3 | 79% | 0.785 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -82 | 150.1 | 178 | -64.1 | -172.3 | 165.9 | 0 | 0 | 111.8 | G35 V39 | G35-E37 PolarHBondContact O-N 3.44Å; E37-V39 PolarHBondContact O-N 3.36Å |
| 38 | I | 87.8 | Confident | 88.6 | Confident | 138 Ų | 138 | 106.4 Ų | 106.4 | 71% | 0.708 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 121.1 | 177.5 | -60.8 | 172.9 | 0 | 0 | 0 | 108.8 | V40 | I38-V40 HydrophobicContact CG2-CB 4.35Å; I38-V40 HydrophobicContact CG2-CG2 3.33Å; I38-V40 PolarHBondContact O-N 2.99Å |
| 39 | V | 86.7 | Confident | 88.4 | Confident | 147 Ų | 147 | 101.9 Ų | 101.9 | 89% | 0.891 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -72.4 | -19.2 | -178.9 | -175.3 | 0 | 0 | 0 | 0 | 112.6 | E37 | E37-V39 PolarHBondContact O-N 3.36Š|
| 40 | V | 85.8 | Confident | 88.3 | Confident | 82 Ų | 82 | 96.9 Ų | 96.9 | 50% | 0.497 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -89.6 | 136.9 | -179.6 | -62 | 0 | 0 | 0 | 0 | 111.9 | I38 | I38-V40 HydrophobicContact CG2-CB 4.35Å; I38-V40 HydrophobicContact CG2-CG2 3.33Å; I38-V40 PolarHBondContact O-N 2.99Å |
| 41 | S | 83.3 | Confident | 88.3 | Confident | 64 Ų | 64 | 89 Ų | 89 | 45% | 0.448 | 51% | 0.512 | S | S | . | . | trans | -64.9 | 136.2 | 171.3 | -178.8 | 0 | 0 | 0 | 0 | 109.9 | R43 S44 | S41-R43 PolarHBondContact O-N 3.42Å; S41-R43 PolarHBondContact OG-N 3.05Å; S41-S44 WeakPolarHBondContact O-CB 3.43Å; S41-S44 PolarHBondContact O-N 3.4Å; S41-S44 PolarHBondContact O-OG 3.02Å | ||
| 42 | P | 82.4 | Confident | 88.5 | Confident | 53 Ų | 53 | 88.2 Ų | 88.2 | 34% | 0.344 | 50% | 0.5 | S | S | . | . | G | 310 helix | trans | -49.9 | -29.3 | 172.8 | -31.8 | 37.4 | 0 | 0 | 0 | 114.2 | S44 L45 I113 Y114 | P42-S44 PolarHBondContact O-N 3.17Å; P42-L45 WeakPolarHBondContact O-CB 3.29Å; P42-L45 PolarHBondContact O-N 3.37Å; P42-I113 HydrophobicContact CB-CG2 3.83Å; P42-I113 HydrophobicContact CG-CG2 4.41Å; P42-Y114 HydrophobicContact CB-CE1 3.91Å; P42-Y114 HydrophobicContact CB-CE2 4.18Å; P42-Y114 PolarHBondContact O-OH 3.43Å |
| 43 | R | 76.6 | Confident | 88.6 | Confident | 144 Ų | 144 | 85.3 Ų | 85.3 | 54% | 0.543 | 49% | 0.486 | S | S | . | . | G | 310 helix | trans | -60 | -28.6 | 178 | -63.2 | 176.1 | -170.8 | -87.3 | -3.9 | 113.4 | S41 L45 H46 Y114 H123 | S41-R43 PolarHBondContact O-N 3.42Å; S41-R43 PolarHBondContact OG-N 3.05Å; R43-L45 PolarHBondContact O-N 3.11Å; R43-H46 VanDerWaalsContact O-CB 3.28Å; R43-H46 WeakPolarHBondContact O-CB 3.08Å; R43-H46 PolarHBondContact O-N 3.4Å; R43-Y114 PolarHBondContact N-OH 2.85Å; R43-H123 VanDerWaalsContact CZ-NE2 3.29Å; R43-H123 PolarHBondContact NH1-CD2 3.32Å; R43-H123 PolarHBondContact NH1-NE2 3.44Å; R43-H123 PolarHBondContact NH2-CD2 2.87Å; R43-H123 VanDerWaalsContact NH2-CD2 3.33Å; R43-H123 PolarHBondContact NH2-CE1 2.92Å; R43-H123 PolarHBondContact NH2-NE2 3.15Å |
| 44 | S | 84.2 | Confident | 88.7 | Confident | 69 Ų | 69 | 81.5 Ų | 81.5 | 48% | 0.483 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -64.7 | -19.9 | 176.1 | 63.8 | 0 | 0 | 0 | 0 | 112.9 | S41 P42 H46 | S41-S44 WeakPolarHBondContact O-CB 3.43Å; S41-S44 PolarHBondContact O-N 3.4Å; S41-S44 PolarHBondContact O-OG 3.02Å; P42-S44 PolarHBondContact O-N 3.17Å; S44-H46 VanDerWaalsContact C-N 3.35Å |
| 45 | L | 86.4 | Confident | 88.8 | Confident | 54 Ų | 54 | 81.8 Ų | 81.8 | 28% | 0.283 | 47% | 0.465 | S | S | . | . | G | 310 helix | trans | -92.8 | 8 | 179.4 | -55.7 | 175.8 | 0 | 0 | 0 | 112.9 | P42 R43 S47 E48 L49 I113 | P42-L45 WeakPolarHBondContact O-CB 3.29Å; P42-L45 PolarHBondContact O-N 3.37Å; R43-L45 PolarHBondContact O-N 3.11Å; L45-S47 VanDerWaalsContact C-N 3.27Å; L45-S47 PolarHBondContact O-N 3.4Å; L45-E48 VanDerWaalsContact C-OE2 3.28Å; L45-E48 WeakPolarHBondContact CA-OE2 3.39Å; L45-E48 PolarHBondContact O-N 2.86Å; L45-L49 HydrophobicContact CB-CD1 4.09Å; L45-L49 HydrophobicContact CB-CG 4.27Å; L45-L49 WeakPolarHBondContact O-CG 3.48Å; L45-L49 PolarHBondContact O-N 3.23Å; L45-L49 VanDerWaalsContact O-N 3.15Å; L45-I113 HydrophobicContact CD1-CD1 3.82Å; L45-I113 HydrophobicContact CD1-CG1 4.49Å; L45-I113 HydrophobicContact CD1-CG2 4.21Å |
| 46 | H | 83.7 | Confident | 89 | Confident | 60 Ų | 60 | 79.9 Ų | 79.9 | 28% | 0.278 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -57.6 | -40.9 | -173.8 | -179.5 | 62 | 0 | 0 | 0 | 112.2 | R43 S44 M50 Y120 | R43-H46 VanDerWaalsContact O-CB 3.28Å; R43-H46 WeakPolarHBondContact O-CB 3.08Å; R43-H46 PolarHBondContact O-N 3.4Å; S44-H46 VanDerWaalsContact C-N 3.35Å; H46-M50 WeakPolarHBondContact CD2-CE 3.32Å; H46-M50 VanDerWaalsContact CE1-CE 3.48Å; H46-M50 WeakPolarHBondContact CE1-CE 3.41Å; H46-M50 WeakPolarHBondContact NE2-CE 3.2Å; H46-M50 WeakPolarHBondContact O-CB 3.15Å; H46-M50 PolarHBondContact O-N 3.06Å; H46-M50 VanDerWaalsContact O-N 3.15Å; H46-Y120 PolarHBondContact CE1-OH 3.28Å; H46-Y120 PolarHBondContact ND1-OH 3.11Å |
| 47 | S | 88 | Confident | 89.1 | Confident | 86 Ų | 86 | 74.6 Ų | 74.6 | 60% | 0.601 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -70.9 | -32.7 | -177.9 | 76.6 | 0 | 0 | 0 | 0 | 113.1 | L45 | L45-S47 VanDerWaalsContact C-N 3.27Å; L45-S47 PolarHBondContact O-N 3.4Å |
| 48 | E | 92.8 | Very high | 89.5 | Confident | 106 Ų | 106 | 66.8 Ų | 66.8 | 50% | 0.495 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -76.1 | -28.9 | -177.7 | -69.8 | 74.3 | -172.3 | 0 | 0 | 112.1 | L45 | L45-E48 VanDerWaalsContact C-OE2 3.28Å; L45-E48 WeakPolarHBondContact CA-OE2 3.39Å; L45-E48 PolarHBondContact O-N 2.86Å |
| 49 | L | 93.1 | Very high | 89.8 | Confident | 5 Ų | 5 | 64.6 Ų | 64.6 | 3% | 0.026 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -102.5 | -3 | -177.7 | -51.4 | 178.7 | 0 | 0 | 0 | 113.3 | L45 M57 L58 F106 I110 I113 Y114 | L45-L49 HydrophobicContact CB-CD1 4.09Å; L45-L49 HydrophobicContact CB-CG 4.27Å; L45-L49 WeakPolarHBondContact O-CG 3.48Å; L45-L49 PolarHBondContact O-N 3.23Å; L45-L49 VanDerWaalsContact O-N 3.15Å; L49-M57 HydrophobicContact CB-CE 4.3Å; L49-M57 HydrophobicContact CB-SD 3.32Å; L49-M57 WeakPolarHBondContact CB-SD 3.48Å; L49-M57 HydrophobicContact CD1-CE 4.31Å; L49-M57 HydrophobicContact CD1-SD 3.91Å; L49-M57 HydrophobicContact CG-SD 4.26Å; L49-M57 WeakPolarHBondContact O-CA 3.42Å; L49-L58 VanDerWaalsContact O-CG 3.32Å; L49-L58 WeakPolarHBondContact O-CG 3.13Å; L49-L58 PolarHBondContact O-N 3.2Å; L49-F106 HydrophobicContact CD2-CE1 3.92Å; L49-F106 HydrophobicContact CD2-CZ 3.64Å; L49-I110 HydrophobicContact CD2-CG1 3.95Å; L49-I113 HydrophobicContact CD1-CD1 4.04Å; L49-I113 HydrophobicContact CD1-CG2 4.34Å; L49-I113 HydrophobicContact CD2-CD1 4.49Å; L49-Y114 HydrophobicContact CD1-CD2 4.21Å; L49-Y114 HydrophobicContact CD1-CE2 3.91Å |
| 50 | M | 93.5 | Very high | 90.3 | Very high | 46 Ų | 46 | 63.1 Ų | 63.1 | 23% | 0.227 | 34% | 0.344 | C | S | . | . | B | Isolated β-bridge | trans | -82.3 | 140.4 | -179.8 | -177.1 | -168.3 | -62.1 | 0 | 0 | 112.3 | H46 P52 L55 | H46-M50 WeakPolarHBondContact CD2-CE 3.32Å; H46-M50 VanDerWaalsContact CE1-CE 3.48Å; H46-M50 WeakPolarHBondContact CE1-CE 3.41Å; H46-M50 WeakPolarHBondContact NE2-CE 3.2Å; H46-M50 WeakPolarHBondContact O-CB 3.15Å; H46-M50 PolarHBondContact O-N 3.06Å; H46-M50 VanDerWaalsContact O-N 3.15Å; M50-P52 WeakPolarHBondContact O-CD 3.48Å; M50-L55 HydrophobicContact SD-CB 4.3Å; M50-L55 HydrophobicContact SD-CD2 4.3Å |
| 51 | C | 96.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 32% | 0.321 | C | S | . | . | trans | -77.9 | 123.9 | 167.8 | -177.4 | 0 | 0 | 0 | 0 | 110.9 | I53 C54 L55 D56 L58 C72 | C51-I53 PolarHBondContact O-N 3.28Å; C51-C54 VanDerWaalsContact CB-SG 3.53Å; C51-L55 VanDerWaalsContact O-CA 3.31Å; C51-L55 WeakPolarHBondContact O-CA 3.41Å; C51-L55 PolarHBondContact O-N 3.33Å; C51-D56 WeakPolarHBondContact CB-O 3.49Å; C51-D56 PolarHBondContact N-O 2.96Å; C51-L58 HydrophobicContact CB-CD2 3.7Å; C51-L58 HydrophobicContact CB-CG 4.27Å; C51-C72 VanDerWaalsContact CB-SG 3.51Å; C51-C72 PolarHBondContact SG-N 2.85Å; C51-C72 VanDerWaalsContact SG-N 3.36Å | ||
| 52 | P | 96 | Very high | 91.6 | Very high | 63 Ų | 63 | 56.9 Ų | 56.9 | 41% | 0.409 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -6.1 | 179.2 | -23 | 33.7 | 0 | 0 | 0 | 115.7 | M50 R70 F71 | M50-P52 WeakPolarHBondContact O-CD 3.48Å; P52-R70 VanDerWaalsContact CD-O 3.26Å; P52-R70 WeakPolarHBondContact CD-O 3.41Å; P52-F71 HydrophobicContact CB-CE1 4.11Å; P52-F71 HydrophobicContact CG-CD1 4.31Å; P52-F71 HydrophobicContact CG-CE1 3.97Å |
| 53 | I | 95.9 | Very high | 92.4 | Very high | 63 Ų | 63 | 54.4 Ų | 54.4 | 32% | 0.323 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -54.9 | -178.3 | -61.7 | 166.7 | 0 | 0 | 0 | 110.7 | C51 F71 C75 I76 A79 P88 | C51-I53 PolarHBondContact O-N 3.28Å; I53-F71 HydrophobicContact CD1-CB 4.29Å; I53-F71 HydrophobicContact CD1-CD1 3.52Å; I53-F71 HydrophobicContact CD1-CE1 4.19Å; I53-F71 HydrophobicContact CD1-CG 4.12Å; I53-F71 HydrophobicContact CG1-CD1 3.8Å; I53-F71 HydrophobicContact CG1-CE1 4.23Å; I53-C75 HydrophobicContact CB-CB 3.85Å; I53-C75 HydrophobicContact CD1-CB 3.71Å; I53-C75 HydrophobicContact CG1-CB 4.39Å; I53-C75 HydrophobicContact CG2-CB 3.85Å; I53-I76 HydrophobicContact CD1-CD1 4.49Å; I53-A79 HydrophobicContact CD1-CB 4.27Å; I53-P88 HydrophobicContact CD1-CG 4.09Å; I53-P88 HydrophobicContact CG1-CB 4.34Å; I53-P88 HydrophobicContact CG1-CG 4.37Å |
| 54 | C | 95 | Very high | 93.3 | Very high | 58 Ų | 58 | 47.5 Ų | 47.5 | 39% | 0.392 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -6.8 | -179.1 | 65.8 | 0 | 0 | 0 | 0 | 113.7 | C51 D56 | C51-C54 VanDerWaalsContact CB-SG 3.53Å; C54-D56 PolarHBondContact O-N 3.16Å; C54-D56 VanDerWaalsContact O-N 3.13Å |
| 55 | L | 92.7 | Very high | 93.9 | Very high | 118 Ų | 118 | 50 Ų | 50 | 62% | 0.618 | 26% | 0.263 | S | S | * | . | S | Bend | trans | 58.4 | 22.6 | -179.3 | -48.5 | -179.3 | 0 | 0 | 0 | 113.8 | M50 C51 | M50-L55 HydrophobicContact SD-CB 4.3Å; M50-L55 HydrophobicContact SD-CD2 4.3Å; C51-L55 VanDerWaalsContact O-CA 3.31Å; C51-L55 WeakPolarHBondContact O-CA 3.41Å; C51-L55 PolarHBondContact O-N 3.33Å |
| 56 | D | 91.1 | Very high | 94.3 | Very high | 39 Ų | 39 | 53.3 Ų | 53.3 | 21% | 0.209 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -118.7 | 164.5 | 177 | -174.9 | 19.9 | 0 | 0 | 0 | 109.1 | C51 C54 L58 R117 | C51-D56 WeakPolarHBondContact CB-O 3.49Å; C51-D56 PolarHBondContact N-O 2.96Å; C54-D56 PolarHBondContact O-N 3.16Å; C54-D56 VanDerWaalsContact O-N 3.13Å; D56-L58 PolarHBondContact O-N 3.39Å; D56-R117 IonicContact OD1-NH2 3.48Å; D56-R117 PolarHBondContact OD1-NH2 2.84Å; D56-R117 IonicContact OD2-NH2 2.96Å; D56-R117 PolarHBondContact OD2-NH2 3.05Å |
| 57 | M | 91.9 | Very high | 94.9 | Very high | 4 Ų | 4 | 51.7 Ų | 51.7 | 2% | 0.02 | 27% | 0.272 | C | S | . | . | B | Isolated β-bridge | trans | -51.4 | 136.2 | 175.4 | -177.8 | 78.5 | 64.4 | 0 | 0 | 110.9 | L49 K59 I110 Y114 R117 Y120 | L49-M57 HydrophobicContact CB-CE 4.3Å; L49-M57 HydrophobicContact CB-SD 3.32Å; L49-M57 WeakPolarHBondContact CB-SD 3.48Å; L49-M57 HydrophobicContact CD1-CE 4.31Å; L49-M57 HydrophobicContact CD1-SD 3.91Å; L49-M57 HydrophobicContact CG-SD 4.26Å; L49-M57 WeakPolarHBondContact O-CA 3.42Å; M57-K59 PolarHBondContact O-N 3.45Å; M57-I110 HydrophobicContact CG-CG2 4Å; M57-I110 HydrophobicContact SD-CG2 3.93Å; M57-Y114 HydrophobicContact CE-CD2 3.49Å; M57-Y114 VanDerWaalsContact CE-CD2 3.49Å; M57-Y114 HydrophobicContact CE-CE2 3.35Å; M57-Y114 HydrophobicContact CE-CG 4.27Å; M57-Y114 HydrophobicContact SD-CD2 4.31Å; M57-Y114 HydrophobicContact SD-CE2 4.47Å; M57-R117 PolarHBondContact O-NH1 3.3Å; M57-R117 PolarHBondContact O-NH2 3.26Å; M57-Y120 HydrophobicContact CB-CE1 4.33Å; M57-Y120 HydrophobicContact CE-CD1 4.43Å; M57-Y120 HydrophobicContact CE-CE1 3.98Å; M57-Y120 HydrophobicContact CE-CE2 4.07Å |
| 58 | L | 95.7 | Very high | 95.4 | Very high | 3 Ų | 3 | 52.5 Ų | 52.5 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | trans | -55.9 | 136.5 | -176.8 | -73.4 | 157.8 | 0 | 0 | 0 | 112.1 | L49 C51 D56 T61 R70 F71 F106 I110 R117 | L49-L58 VanDerWaalsContact O-CG 3.32Å; L49-L58 WeakPolarHBondContact O-CG 3.13Å; L49-L58 PolarHBondContact O-N 3.2Å; C51-L58 HydrophobicContact CB-CD2 3.7Å; C51-L58 HydrophobicContact CB-CG 4.27Å; D56-L58 PolarHBondContact O-N 3.39Å; L58-T61 HydrophobicContact CD1-CG2 4.37Å; L58-R70 HydrophobicContact CD1-CB 3.8Å; L58-R70 HydrophobicContact CD2-CB 4.27Å; L58-F71 VanDerWaalsContact CD2-CA 3.43Å; L58-F106 HydrophobicContact CD1-CD1 4.15Å; L58-F106 HydrophobicContact CD1-CE1 3.55Å; L58-F106 HydrophobicContact CD1-CZ 4.46Å; L58-I110 HydrophobicContact CB-CD1 3.8Å; L58-R117 PolarHBondContact O-NH1 2.96Å | ||
| 59 | K | 95 | Very high | 95.6 | Very high | 92 Ų | 92 | 50.2 Ų | 50.2 | 40% | 0.4 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -123.3 | 125.4 | 173.9 | -67.5 | -177.4 | -173.3 | -174.8 | 0 | 108.4 | M57 C72 A73 R117 E121 | M57-K59 PolarHBondContact O-N 3.45Å; K59-C72 PolarHBondContact N-SG 3.05Å; K59-C72 WeakPolarHBondContact O-CA 3.22Å; K59-C72 WeakPolarHBondContact O-CB 3.36Å; K59-A73 PolarHBondContact O-N 2.77Å; K59-R117 VanDerWaalsContact CG-CZ 3.47Å; K59-E121 IonicContact NZ-OE1 3.04Å; K59-E121 PolarHBondContact NZ-OE1 3.46Å |
| 60 | N | 97.1 | Very high | 95.8 | Very high | 116 Ų | 116 | 54.1 Ų | 54.1 | 62% | 0.62 | 27% | 0.273 | S | S | * | . | S | Bend | trans | 50.2 | 66.5 | -178.1 | -56.5 | 102.3 | 0 | 0 | 0 | 111.1 | M62 A73 D107 | N60-M62 PolarHBondContact O-N 3.34Å; N60-A73 HydrophobicContact CB-CB 4.01Å; N60-A73 WeakPolarHBondContact O-CB 3.19Å; N60-A73 PolarHBondContact O-N 3.34Å; N60-A73 VanDerWaalsContact O-N 3.13Å; N60-D107 WeakPolarHBondContact CA-OD2 3.32Å |
| 61 | T | 97.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 127 | -166.6 | -59.4 | 0 | 0 | 0 | 0 | 111.8 | L58 R70 D103 F106 D107 | L58-T61 HydrophobicContact CD1-CG2 4.37Å; T61-R70 HydrophobicContact CG2-CB 3.93Å; T61-R70 HydrophobicContact CG2-CG 4.03Å; T61-D103 HydrophobicContact CG2-CB 4.04Å; T61-D103 PolarHBondContact O-N 2.98Å; T61-F106 HydrophobicContact CG2-CB 4.41Å; T61-F106 HydrophobicContact CG2-CD1 4.01Å; T61-F106 HydrophobicContact CG2-CG 4.48Å; T61-D107 WeakPolarHBondContact CB-OD1 3.07Å; T61-D107 PolarHBondContact N-OD1 2.98Å; T61-D107 PolarHBondContact N-OD2 3.4Å; T61-D107 VanDerWaalsContact N-OD2 3.09Å; T61-D107 PolarHBondContact OG1-OD1 3.18Å |
| 62 | M | 97.9 | Very high | 96.1 | Very high | 15 Ų | 15 | 52.3 Ų | 52.3 | 7% | 0.074 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 126.2 | 170.6 | -70.7 | -66.8 | -79.1 | 0 | 0 | 109.6 | N60 R70 F71 A73 I76 L100 P102 | N60-M62 PolarHBondContact O-N 3.34Å; M62-R70 WeakPolarHBondContact O-CA 3.45Å; M62-F71 PolarHBondContact N-O 3.32Å; M62-F71 PolarHBondContact O-N 3.21Å; M62-A73 HydrophobicContact CG-CB 3.77Å; M62-I76 HydrophobicContact CB-CG2 3.79Å; M62-I76 HydrophobicContact CG-CG2 4.2Å; M62-L100 HydrophobicContact CE-CB 3.6Å; M62-L100 HydrophobicContact CE-CD1 4.06Å; M62-L100 HydrophobicContact CE-CG 4.5Å; M62-P102 HydrophobicContact SD-CB 4.14Å; M62-P102 HydrophobicContact SD-CG 3.9Å |
| 63 | T | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 133.8 | -177.2 | -57.4 | 0 | 0 | 0 | 0 | 110.3 | L68 H69 R70 L100 R101 D103 | T63-L68 HydrophobicContact CG2-CB 4.32Å; T63-L68 HydrophobicContact CG2-CD2 4.05Å; T63-H69 WeakPolarHBondContact CA-O 3.25Å; T63-R70 HydrophobicContact CG2-CG 4.43Å; T63-L100 CarbonylContact O-C 3.55Å; T63-L100 WeakPolarHBondContact O-CA 3.28Å; T63-R101 PolarHBondContact N-O 3.12Å; T63-R101 PolarHBondContact O-N 3.03Å; T63-D103 WeakPolarHBondContact OG1-CB 3.42Å; T63-D103 PolarHBondContact OG1-OD2 3.07Å |
| 64 | T | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 133.2 | 173.3 | 54.3 | 0 | 0 | 0 | 0 | 111 | E66 C67 L68 H69 F71 L94 L100 | T64-E66 VanDerWaalsContact C-N 3.32Å; T64-E66 PolarHBondContact O-N 3.49Å; T64-C67 PolarHBondContact OG1-SG 3.04Å; T64-L68 VanDerWaalsContact O-CA 3.25Å; T64-L68 WeakPolarHBondContact O-CA 3.4Å; T64-L68 PolarHBondContact O-N 2.89Å; T64-L68 PolarHBondContact OG1-N 3.44Å; T64-H69 PolarHBondContact N-O 3.44Å; T64-H69 PolarHBondContact OG1-N 3.28Å; T64-H69 PolarHBondContact OG1-O 3.4Å; T64-F71 HydrophobicContact CG2-CD2 4.42Å; T64-F71 HydrophobicContact CG2-CE2 3.87Å; T64-L94 HydrophobicContact CG2-CD1 3.84Å; T64-L94 HydrophobicContact CG2-CD2 3.89Å; T64-L100 HydrophobicContact CG2-CD2 3.63Å |
| 65 | K | 96.4 | Very high | 96.4 | Very high | 122 Ų | 122 | 51.3 Ų | 51.3 | 53% | 0.53 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -29.4 | -176.6 | -70 | 176.9 | 177.9 | 171.7 | 0 | 114 | R98 S99 L100 | K65-R98 WeakPolarHBondContact CE-O 3.48Å; K65-R98 PolarHBondContact NZ-O 3.32Å; K65-S99 WeakPolarHBondContact CG-O 3.17Å; K65-S99 PolarHBondContact N-O 3.36Å; K65-L100 WeakPolarHBondContact CE-O 3.42Å |
| 66 | E | 94.6 | Very high | 96.6 | Very high | 123 Ų | 123 | 45.7 Ų | 45.7 | 58% | 0.575 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | -22.2 | -170.4 | 176.3 | 53.2 | -144.1 | 0 | 0 | 113.9 | T64 K92 | T64-E66 VanDerWaalsContact C-N 3.32Å; T64-E66 PolarHBondContact O-N 3.49Å; E66-K92 HydrophobicContact CG-CD 3.61Å; E66-K92 PolarHBondContact O-NZ 3.03Å; E66-K92 IonicContact OE1-NZ 2.67Å; E66-K92 PolarHBondContact OE1-NZ 2.97Å |
| 67 | C | 96.5 | Very high | 96.8 | Very high | 26 Ų | 26 | 45.8 Ų | 45.8 | 18% | 0.176 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -134.4 | -0.5 | -179.2 | 46.5 | 0 | 0 | 0 | 0 | 114.3 | T64 H69 C90 K92 | T64-C67 PolarHBondContact OG1-SG 3.04Å; C67-H69 PolarHBondContact O-N 2.73Å; C67-H69 PolarHBondContact SG-ND1 3.49Å; C67-H69 VanDerWaalsContact SG-ND1 3.35Å; C67-C90 PolarHBondContact SG-SG 2.85Å; C67-K92 HydrophobicContact CB-CD 4.02Å |
| 68 | L | 97.1 | Very high | 96.9 | Very high | 103 Ų | 103 | 48.9 Ų | 48.9 | 54% | 0.539 | 25% | 0.246 | S | C | . | . | trans | 55.7 | 16.7 | 178.2 | -55.8 | 179.1 | 0 | 0 | 0 | 115.1 | T63 T64 | T63-L68 HydrophobicContact CG2-CB 4.32Å; T63-L68 HydrophobicContact CG2-CD2 4.05Å; T64-L68 VanDerWaalsContact O-CA 3.25Å; T64-L68 WeakPolarHBondContact O-CA 3.4Å; T64-L68 PolarHBondContact O-N 2.89Å; T64-L68 PolarHBondContact OG1-N 3.44Å | ||
| 69 | H | 97.8 | Very high | 96.9 | Very high | 57 Ų | 57 | 50 Ų | 50 | 26% | 0.264 | 26% | 0.257 | S | S | . | . | trans | -68 | 141.9 | 168.3 | -66.6 | 119.5 | 0 | 0 | 0 | 110.8 | T63 T64 C67 F71 C90 | T63-H69 WeakPolarHBondContact CA-O 3.25Å; T64-H69 PolarHBondContact N-O 3.44Å; T64-H69 PolarHBondContact OG1-N 3.28Å; T64-H69 PolarHBondContact OG1-O 3.4Å; C67-H69 PolarHBondContact O-N 2.73Å; C67-H69 PolarHBondContact SG-ND1 3.49Å; C67-H69 VanDerWaalsContact SG-ND1 3.35Å; H69-F71 HydrophobicContact CB-CE2 3.78Å; H69-F71 HydrophobicContact CB-CZ 3.89Å; H69-C90 VanDerWaalsContact CE1-CB 3.43Å; H69-C90 WeakPolarHBondContact CE1-CB 3.45Å; H69-C90 PolarHBondContact CE1-SG 2.85Å; H69-C90 PolarHBondContact ND1-SG 3.36Å; H69-C90 VanDerWaalsContact ND1-SG 3.37Å | ||
| 70 | R | 98.2 | Very high | 96.8 | Very high | 88 Ų | 88 | 46.2 Ų | 46.2 | 33% | 0.332 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 141.2 | -172.3 | -64.3 | -176.7 | 178 | 84.5 | 0.1 | 111.3 | P52 L58 T61 M62 T63 D103 F106 | P52-R70 VanDerWaalsContact CD-O 3.26Å; P52-R70 WeakPolarHBondContact CD-O 3.41Å; L58-R70 HydrophobicContact CD1-CB 3.8Å; L58-R70 HydrophobicContact CD2-CB 4.27Å; T61-R70 HydrophobicContact CG2-CB 3.93Å; T61-R70 HydrophobicContact CG2-CG 4.03Å; M62-R70 WeakPolarHBondContact O-CA 3.45Å; T63-R70 HydrophobicContact CG2-CG 4.43Å; R70-D103 IonicContact NE-OD2 3.93Å; R70-F106 VanDerWaalsContact NE-CD2 3.32Å |
| 71 | F | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 158.1 | 179.4 | -53.6 | -82.2 | 0 | 0 | 0 | 110.3 | P52 I53 L58 M62 T64 H69 I76 P88 T89 | P52-F71 HydrophobicContact CB-CE1 4.11Å; P52-F71 HydrophobicContact CG-CD1 4.31Å; P52-F71 HydrophobicContact CG-CE1 3.97Å; I53-F71 HydrophobicContact CD1-CB 4.29Å; I53-F71 HydrophobicContact CD1-CD1 3.52Å; I53-F71 HydrophobicContact CD1-CE1 4.19Å; I53-F71 HydrophobicContact CD1-CG 4.12Å; I53-F71 HydrophobicContact CG1-CD1 3.8Å; I53-F71 HydrophobicContact CG1-CE1 4.23Å; L58-F71 VanDerWaalsContact CD2-CA 3.43Å; M62-F71 PolarHBondContact N-O 3.32Å; M62-F71 PolarHBondContact O-N 3.21Å; T64-F71 HydrophobicContact CG2-CD2 4.42Å; T64-F71 HydrophobicContact CG2-CE2 3.87Å; H69-F71 HydrophobicContact CB-CE2 3.78Å; H69-F71 HydrophobicContact CB-CZ 3.89Å; F71-I76 HydrophobicContact CB-CB 3.71Å; F71-I76 HydrophobicContact CB-CG1 4.44Å; F71-I76 HydrophobicContact CB-CG2 4.19Å; F71-I76 HydrophobicContact CD2-CB 4.27Å; F71-I76 HydrophobicContact CD2-CD1 3.86Å; F71-I76 HydrophobicContact CD2-CG1 4.07Å; F71-I76 HydrophobicContact CE2-CD1 4.14Å; F71-I76 HydrophobicContact CG-CB 4.1Å; F71-I76 HydrophobicContact CG-CD1 4.13Å; F71-I76 HydrophobicContact CG-CG1 4.34Å; F71-P88 HydrophobicContact CE1-CB 3.89Å; F71-P88 HydrophobicContact CE1-CG 4.01Å; F71-P88 HydrophobicContact CZ-CB 4.19Å; F71-P88 HydrophobicContact CZ-CG 4.16Å; F71-T89 VanDerWaalsContact CZ-OG1 3.3Å; F71-T89 WeakPolarHBondContact CZ-OG1 3.48Å |
| 72 | C | 98.2 | Very high | 96.2 | Very high | 8 Ų | 8 | 53.6 Ų | 53.6 | 5% | 0.054 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 144.5 | 166.5 | -54.6 | 0 | 0 | 0 | 0 | 109.7 | C51 K59 D74 C75 I76 | C51-C72 VanDerWaalsContact CB-SG 3.51Å; C51-C72 PolarHBondContact SG-N 2.85Å; C51-C72 VanDerWaalsContact SG-N 3.36Å; K59-C72 PolarHBondContact N-SG 3.05Å; K59-C72 WeakPolarHBondContact O-CA 3.22Å; K59-C72 WeakPolarHBondContact O-CB 3.36Å; C72-D74 VanDerWaalsContact C-N 3.33Å; C72-D74 PolarHBondContact O-N 3.16Å; C72-C75 HydrophobicContact CB-CB 3.94Å; C72-C75 WeakPolarHBondContact O-CB 3.48Å; C72-C75 PolarHBondContact O-N 2.75Å; C72-C75 VanDerWaalsContact O-N 3.14Å; C72-I76 WeakPolarHBondContact O-CG2 3.47Å; C72-I76 PolarHBondContact O-N 2.99Å |
| 73 | A | 97.7 | Very high | 95.5 | Very high | 18 Ų | 18 | 54.9 Ų | 54.9 | 15% | 0.149 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -52.7 | -50 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | K59 N60 M62 C75 I77 | K59-A73 PolarHBondContact O-N 2.77Å; N60-A73 HydrophobicContact CB-CB 4.01Å; N60-A73 WeakPolarHBondContact O-CB 3.19Å; N60-A73 PolarHBondContact O-N 3.34Å; N60-A73 VanDerWaalsContact O-N 3.13Å; M62-A73 HydrophobicContact CG-CB 3.77Å; A73-C75 VanDerWaalsContact C-N 3.32Å; A73-C75 PolarHBondContact O-N 3.12Å; A73-I77 VanDerWaalsContact O-CB 3.28Å; A73-I77 WeakPolarHBondContact O-CB 3.36Å; A73-I77 WeakPolarHBondContact O-CD1 3.28Å; A73-I77 WeakPolarHBondContact O-CG1 3.47Å; A73-I77 PolarHBondContact O-N 2.84Å |
| 74 | D | 97.4 | Very high | 95 | Very high | 119 Ų | 119 | 60.2 Ų | 60.2 | 64% | 0.636 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -65.4 | -37.9 | -179.1 | -63.6 | -31.3 | 0 | 0 | 0 | 112.2 | C72 T78 | C72-D74 VanDerWaalsContact C-N 3.33Å; C72-D74 PolarHBondContact O-N 3.16Å; D74-T78 WeakPolarHBondContact O-CB 3.45Å; D74-T78 PolarHBondContact O-N 2.76Å; D74-T78 PolarHBondContact O-OG1 2.91Å |
| 75 | C | 97.5 | Very high | 94.7 | Very high | 25 Ų | 25 | 65.1 Ų | 65.1 | 17% | 0.169 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.7 | -53 | 179.9 | -71.3 | 0 | 0 | 0 | 0 | 111.4 | I53 C72 A73 T78 A79 | I53-C75 HydrophobicContact CB-CB 3.85Å; I53-C75 HydrophobicContact CD1-CB 3.71Å; I53-C75 HydrophobicContact CG1-CB 4.39Å; I53-C75 HydrophobicContact CG2-CB 3.85Å; C72-C75 HydrophobicContact CB-CB 3.94Å; C72-C75 WeakPolarHBondContact O-CB 3.48Å; C72-C75 PolarHBondContact O-N 2.75Å; C72-C75 VanDerWaalsContact O-N 3.14Å; A73-C75 VanDerWaalsContact C-N 3.32Å; A73-C75 PolarHBondContact O-N 3.12Å; C75-T78 PolarHBondContact O-N 3.44Å; C75-A79 WeakPolarHBondContact O-CB 3.32Å; C75-A79 PolarHBondContact O-N 2.85Å |
| 76 | I | 96.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -71.2 | -34.6 | -178 | -169.1 | 60.3 | 0 | 0 | 0 | 112.5 | I53 M62 F71 C72 T78 A79 L80 P88 L94 L100 | I53-I76 HydrophobicContact CD1-CD1 4.49Å; M62-I76 HydrophobicContact CB-CG2 3.79Å; M62-I76 HydrophobicContact CG-CG2 4.2Å; F71-I76 HydrophobicContact CB-CB 3.71Å; F71-I76 HydrophobicContact CB-CG1 4.44Å; F71-I76 HydrophobicContact CB-CG2 4.19Å; F71-I76 HydrophobicContact CD2-CB 4.27Å; F71-I76 HydrophobicContact CD2-CD1 3.86Å; F71-I76 HydrophobicContact CD2-CG1 4.07Å; F71-I76 HydrophobicContact CE2-CD1 4.14Å; F71-I76 HydrophobicContact CG-CB 4.1Å; F71-I76 HydrophobicContact CG-CD1 4.13Å; F71-I76 HydrophobicContact CG-CG1 4.34Å; C72-I76 WeakPolarHBondContact O-CG2 3.47Å; C72-I76 PolarHBondContact O-N 2.99Å; I76-T78 VanDerWaalsContact C-N 3.31Å; I76-A79 PolarHBondContact O-N 2.78Å; I76-L80 HydrophobicContact CD1-CG 4.5Å; I76-L80 HydrophobicContact CG1-CD1 4.39Å; I76-L80 HydrophobicContact CG1-CG 4.5Å; I76-L80 WeakPolarHBondContact O-CB 3.48Å; I76-L80 WeakPolarHBondContact O-CG 3.37Å; I76-L80 PolarHBondContact O-N 2.63Å; I76-P88 HydrophobicContact CD1-CG 3.93Å; I76-L94 HydrophobicContact CD1-CD1 4.38Å; I76-L100 HydrophobicContact CB-CD1 4.42Å; I76-L100 HydrophobicContact CG1-CD1 3.72Å; I76-L100 HydrophobicContact CG1-CD2 4.07Å; I76-L100 HydrophobicContact CG2-CD1 3.77Å |
| 77 | I | 95 | Very high | 94.8 | Very high | 41 Ų | 41 | 56.3 Ų | 56.3 | 21% | 0.21 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.4 | -36.3 | 176.5 | -67.9 | 168.8 | 0 | 0 | 0 | 110.6 | A73 R81 | A73-I77 VanDerWaalsContact O-CB 3.28Å; A73-I77 WeakPolarHBondContact O-CB 3.36Å; A73-I77 WeakPolarHBondContact O-CD1 3.28Å; A73-I77 WeakPolarHBondContact O-CG1 3.47Å; A73-I77 PolarHBondContact O-N 2.84Å; I77-R81 WeakPolarHBondContact O-CG 3.17Å; I77-R81 PolarHBondContact O-N 2.9Å; I77-R81 PolarHBondContact O-NE 2.9Å |
| 78 | T | 95.1 | Very high | 94.7 | Very high | 69 Ų | 69 | 57.5 Ų | 57.5 | 42% | 0.423 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -69 | -46.5 | 174.6 | -58 | 0 | 0 | 0 | 0 | 111 | D74 C75 I76 L80 R81 S82 | D74-T78 WeakPolarHBondContact O-CB 3.45Å; D74-T78 PolarHBondContact O-N 2.76Å; D74-T78 PolarHBondContact O-OG1 2.91Å; C75-T78 PolarHBondContact O-N 3.44Å; I76-T78 VanDerWaalsContact C-N 3.31Å; T78-L80 VanDerWaalsContact C-N 3.33Å; T78-L80 PolarHBondContact O-N 2.82Å; T78-R81 WeakPolarHBondContact O-CB 3.19Å; T78-R81 PolarHBondContact O-N 3.32Å; T78-R81 PolarHBondContact OG1-NH2 2.94Å; T78-R81 VanDerWaalsContact OG1-NH2 3.09Å; T78-S82 PolarHBondContact O-N 3.44Å; T78-S82 VanDerWaalsContact O-N 3.16Å; T78-S82 PolarHBondContact O-OG 3.1Å |
| 79 | A | 94.5 | Very high | 94.7 | Very high | 28 Ų | 28 | 55.7 Ų | 55.7 | 23% | 0.231 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.3 | -43.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I53 C75 I76 R81 S82 P88 | I53-A79 HydrophobicContact CD1-CB 4.27Å; C75-A79 WeakPolarHBondContact O-CB 3.32Å; C75-A79 PolarHBondContact O-N 2.85Å; I76-A79 PolarHBondContact O-N 2.78Å; A79-R81 VanDerWaalsContact C-N 3.26Å; A79-R81 PolarHBondContact O-N 3.4Å; A79-S82 PolarHBondContact O-N 2.89Å; A79-P88 HydrophobicContact CB-CG 4.41Å |
| 80 | L | 93.8 | Very high | 94.6 | Very high | 12 Ų | 12 | 55.3 Ų | 55.3 | 6% | 0.063 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.7 | -24.3 | 176.7 | -71.5 | 176.8 | 0 | 0 | 0 | 113.2 | I76 T78 K85 L94 L100 | I76-L80 HydrophobicContact CD1-CG 4.5Å; I76-L80 HydrophobicContact CG1-CD1 4.39Å; I76-L80 HydrophobicContact CG1-CG 4.5Å; I76-L80 WeakPolarHBondContact O-CB 3.48Å; I76-L80 WeakPolarHBondContact O-CG 3.37Å; I76-L80 PolarHBondContact O-N 2.63Å; T78-L80 VanDerWaalsContact C-N 3.33Å; T78-L80 PolarHBondContact O-N 2.82Å; L80-K85 PolarHBondContact O-NZ 2.88Å; L80-L94 HydrophobicContact CD2-CB 3.95Å; L80-L94 HydrophobicContact CD2-CD1 4.29Å; L80-L100 HydrophobicContact CD1-CD1 3.84Å |
| 81 | R | 92.3 | Very high | 94.4 | Very high | 174 Ų | 174 | 58.9 Ų | 58.9 | 66% | 0.657 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -76.2 | -30.4 | 174.6 | -79.9 | -179.5 | -77.3 | 166.8 | -3.5 | 112.3 | I77 T78 A79 G83 | I77-R81 WeakPolarHBondContact O-CG 3.17Å; I77-R81 PolarHBondContact O-N 2.9Å; I77-R81 PolarHBondContact O-NE 2.9Å; T78-R81 WeakPolarHBondContact O-CB 3.19Å; T78-R81 PolarHBondContact O-N 3.32Å; T78-R81 PolarHBondContact OG1-NH2 2.94Å; T78-R81 VanDerWaalsContact OG1-NH2 3.09Å; A79-R81 VanDerWaalsContact C-N 3.26Å; A79-R81 PolarHBondContact O-N 3.4Å; R81-G83 PolarHBondContact O-N 3.23Å |
| 82 | S | 90.8 | Very high | 94.2 | Very high | 97 Ų | 97 | 63 Ų | 63 | 68% | 0.678 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -6 | 178.4 | -53.7 | 0 | 0 | 0 | 0 | 115 | T78 A79 | T78-S82 PolarHBondContact O-N 3.44Å; T78-S82 VanDerWaalsContact O-N 3.16Å; T78-S82 PolarHBondContact O-OG 3.1Å; A79-S82 PolarHBondContact O-N 2.89Å |
| 83 | G | 83.1 | Confident | 94.1 | Very high | 42 Ų | 42 | 70.4 Ų | 70.4 | 43% | 0.433 | 37% | 0.369 | S | S | . | . | S | Bend | trans | 111.6 | -26.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | R81 K85 | R81-G83 PolarHBondContact O-N 3.23Å; G83-K85 PolarHBondContact O-N 3.41Å |
| 84 | N | 86.1 | Confident | 93.9 | Very high | 113 Ų | 113 | 69.6 Ų | 69.6 | 60% | 0.604 | 36% | 0.362 | S | S | * | . | trans | -80.5 | 106.9 | -179.6 | -67.3 | 1.4 | 0 | 0 | 0 | 110.5 | E86 | N84-E86 HydrophobicContact CB-CG 4.35Å; N84-E86 PolarHBondContact O-N 3.41Å; N84-E86 VanDerWaalsContact O-N 3.09Å | ||
| 85 | K | 92.6 | Very high | 93.6 | Very high | 102 Ų | 102 | 68.6 Ų | 68.6 | 44% | 0.443 | 36% | 0.36 | S | S | . | . | trans | -86.1 | 52.5 | -178.4 | -56.7 | -54.8 | 179.9 | -171.9 | 0 | 111.8 | L80 G83 L94 | L80-K85 PolarHBondContact O-NZ 2.88Å; G83-K85 PolarHBondContact O-N 3.41Å; K85-L94 CarbonylContact C-O 3.57Å; K85-L94 WeakPolarHBondContact CB-O 3.49Å; K85-L94 CarbonylContact O-C 3.58Å; K85-L94 PolarHBondContact O-N 3.48Å | ||
| 86 | E | 95.3 | Very high | 93.3 | Very high | 61 Ų | 61 | 69.8 Ų | 69.8 | 29% | 0.285 | 37% | 0.368 | S | S | . | . | B | Isolated β-bridge | trans | -138.1 | 158.4 | -178.6 | 65.8 | -179.2 | -163.2 | 0 | 0 | 111.9 | N84 P88 R91 K92 | N84-E86 HydrophobicContact CB-CG 4.35Å; N84-E86 PolarHBondContact O-N 3.41Å; N84-E86 VanDerWaalsContact O-N 3.09Å; E86-P88 WeakPolarHBondContact O-CD 3.32Å; E86-R91 WeakPolarHBondContact OE1-CD 3.39Å; E86-R91 IonicContact OE1-CZ 2.84Å; E86-R91 IonicContact OE1-NE 3.57Å; E86-R91 IonicContact OE1-NH1 3.46Å; E86-R91 PolarHBondContact OE1-NH1 3.47Å; E86-K92 CarbonylContact C-O 3.52Å; E86-K92 WeakPolarHBondContact CA-O 3.33Å |
| 87 | C | 96.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 40% | 0.396 | C | S | . | . | trans | -68.2 | 125.2 | 174.8 | 175.9 | 0 | 0 | 0 | 0 | 109.9 | T89 C90 R91 K92 L94 | C87-T89 PolarHBondContact O-N 3.26Å; C87-T89 VanDerWaalsContact O-N 3.13Å; C87-C90 VanDerWaalsContact SG-SG 3.61Å; C87-R91 VanDerWaalsContact O-CA 3.24Å; C87-R91 WeakPolarHBondContact O-CA 3.2Å; C87-R91 PolarHBondContact O-N 3.07Å; C87-K92 PolarHBondContact N-O 3.42Å; C87-L94 HydrophobicContact CB-CD1 4Å; C87-L94 HydrophobicContact CB-CG 4.22Å | ||
| 88 | P | 95.3 | Very high | 93.1 | Very high | 51 Ų | 51 | 84 Ų | 84 | 33% | 0.331 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -29.8 | 179 | -29.3 | 37.1 | 0 | 0 | 0 | 114.4 | I53 F71 I76 A79 E86 | I53-P88 HydrophobicContact CD1-CG 4.09Å; I53-P88 HydrophobicContact CG1-CB 4.34Å; I53-P88 HydrophobicContact CG1-CG 4.37Å; F71-P88 HydrophobicContact CE1-CB 3.89Å; F71-P88 HydrophobicContact CE1-CG 4.01Å; F71-P88 HydrophobicContact CZ-CB 4.19Å; F71-P88 HydrophobicContact CZ-CG 4.16Å; I76-P88 HydrophobicContact CD1-CG 3.93Å; A79-P88 HydrophobicContact CB-CG 4.41Å; E86-P88 WeakPolarHBondContact O-CD 3.32Å |
| 89 | T | 95.8 | Very high | 93.1 | Very high | 65 Ų | 65 | 82 Ų | 82 | 40% | 0.399 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -48.3 | -177.2 | -48.6 | 0 | 0 | 0 | 0 | 113.5 | F71 C87 | F71-T89 VanDerWaalsContact CZ-OG1 3.3Å; F71-T89 WeakPolarHBondContact CZ-OG1 3.48Å; C87-T89 PolarHBondContact O-N 3.26Å; C87-T89 VanDerWaalsContact O-N 3.13Å |
| 90 | C | 96.2 | Very high | 93.2 | Very high | 49 Ų | 49 | 81.1 Ų | 81.1 | 33% | 0.331 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.9 | 3 | -171.5 | 67.3 | 0 | 0 | 0 | 0 | 115 | C67 H69 C87 K92 | C67-C90 PolarHBondContact SG-SG 2.85Å; H69-C90 VanDerWaalsContact CE1-CB 3.43Å; H69-C90 WeakPolarHBondContact CE1-CB 3.45Å; H69-C90 PolarHBondContact CE1-SG 2.85Å; H69-C90 PolarHBondContact ND1-SG 3.36Å; H69-C90 VanDerWaalsContact ND1-SG 3.37Å; C87-C90 VanDerWaalsContact SG-SG 3.61Å; C90-K92 PolarHBondContact O-N 2.91Å |
| 91 | R | 94.9 | Very high | 93.3 | Very high | 163 Ų | 163 | 85.6 Ų | 85.6 | 62% | 0.615 | 42% | 0.419 | S | S | * | . | trans | 60 | 9.5 | 179.4 | -44.8 | -52.2 | -168.2 | 83.7 | 9.7 | 115.8 | E86 C87 | E86-R91 WeakPolarHBondContact OE1-CD 3.39Å; E86-R91 IonicContact OE1-CZ 2.84Å; E86-R91 IonicContact OE1-NE 3.57Å; E86-R91 IonicContact OE1-NH1 3.46Å; E86-R91 PolarHBondContact OE1-NH1 3.47Å; C87-R91 VanDerWaalsContact O-CA 3.24Å; C87-R91 WeakPolarHBondContact O-CA 3.2Å; C87-R91 PolarHBondContact O-N 3.07Å | ||
| 92 | K | 94 | Very high | 93.6 | Very high | 87 Ų | 87 | 81.6 Ų | 81.6 | 38% | 0.378 | 42% | 0.416 | S | S | . | . | trans | -59.5 | 142.4 | 168.5 | -72.9 | -162 | -171.7 | -175.6 | 0 | 110.7 | E66 C67 E86 C87 C90 L94 | E66-K92 HydrophobicContact CG-CD 3.61Å; E66-K92 PolarHBondContact O-NZ 3.03Å; E66-K92 IonicContact OE1-NZ 2.67Å; E66-K92 PolarHBondContact OE1-NZ 2.97Å; C67-K92 HydrophobicContact CB-CD 4.02Å; E86-K92 CarbonylContact C-O 3.52Å; E86-K92 WeakPolarHBondContact CA-O 3.33Å; C87-K92 PolarHBondContact N-O 3.42Å; C90-K92 PolarHBondContact O-N 2.91Å; K92-L94 PolarHBondContact O-N 2.86Å | ||
| 93 | K | 94.9 | Very high | 94 | Very high | 162 Ų | 162 | 77.4 Ų | 77.4 | 70% | 0.704 | 39% | 0.386 | S | S | * | . | B | Isolated β-bridge | trans | -62.3 | 129.1 | -175.3 | -169.6 | 175.7 | -175.4 | 176.7 | 0 | 112.6 | V95 | K93-V95 HydrophobicContact CG-CG2 4.48Å |
| 94 | L | 94.7 | Very high | 94.7 | Very high | 1 Ų | 1 | 79.4 Ų | 79.4 | 1% | 0.005 | 39% | 0.391 | C | S | . | . | trans | -119.7 | 92.5 | 173.6 | -65.4 | -178 | 0 | 0 | 0 | 109.4 | T64 I76 L80 K85 C87 K92 S96 L100 | T64-L94 HydrophobicContact CG2-CD1 3.84Å; T64-L94 HydrophobicContact CG2-CD2 3.89Å; I76-L94 HydrophobicContact CD1-CD1 4.38Å; L80-L94 HydrophobicContact CD2-CB 3.95Å; L80-L94 HydrophobicContact CD2-CD1 4.29Å; K85-L94 CarbonylContact C-O 3.57Å; K85-L94 WeakPolarHBondContact CB-O 3.49Å; K85-L94 CarbonylContact O-C 3.58Å; K85-L94 PolarHBondContact O-N 3.48Å; C87-L94 HydrophobicContact CB-CD1 4Å; C87-L94 HydrophobicContact CB-CG 4.22Å; K92-L94 PolarHBondContact O-N 2.86Å; L94-S96 VanDerWaalsContact C-N 3.28Å; L94-S96 PolarHBondContact O-N 2.88Å; L94-L100 HydrophobicContact CD1-CD2 4.36Å | ||
| 95 | V | 91.2 | Very high | 95.2 | Very high | 99 Ų | 99 | 80.3 Ų | 80.3 | 60% | 0.6 | 40% | 0.396 | S | S | * | . | trans | -56.7 | -41.2 | -173.2 | -179.6 | 0 | 0 | 0 | 0 | 112.2 | K93 S99 | K93-V95 HydrophobicContact CG-CG2 4.48Å; V95-S99 PolarHBondContact N-OG 3.05Å | ||
| 96 | S | 90.7 | Very high | 95.4 | Very high | 49 Ų | 49 | 76.6 Ų | 76.6 | 34% | 0.343 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -164.1 | -174.9 | 178.3 | 68.8 | 0 | 0 | 0 | 0 | 111.5 | L94 R98 S99 | L94-S96 VanDerWaalsContact C-N 3.28Å; L94-S96 PolarHBondContact O-N 2.88Å; S96-R98 PolarHBondContact O-N 3.32Å; S96-R98 WeakPolarHBondContact OG-CB 3.08Å; S96-R98 PolarHBondContact OG-N 2.97Å; S96-S99 WeakPolarHBondContact O-CB 3.35Å; S96-S99 PolarHBondContact O-N 3.06Å; S96-S99 PolarHBondContact O-OG 3.43Å |
| 97 | K | 92.2 | Very high | 95.4 | Very high | 132 Ų | 132 | 75.5 Ų | 75.5 | 57% | 0.574 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -52.6 | -24.7 | 169.6 | -170.1 | 176.8 | 179.4 | 179.4 | 0 | 113 | S99 L100 | K97-S99 PolarHBondContact O-N 3.45Å; K97-L100 WeakPolarHBondContact O-CB 3.48Å; K97-L100 PolarHBondContact O-N 3.01Å |
| 98 | R | 94.2 | Very high | 95.4 | Very high | 207 Ų | 207 | 78.1 Ų | 78.1 | 78% | 0.781 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -65.1 | -22 | 176.1 | -173.8 | 176.6 | -67.4 | -83.5 | 0.1 | 113.5 | K65 S96 L100 | K65-R98 WeakPolarHBondContact CE-O 3.48Å; K65-R98 PolarHBondContact NZ-O 3.32Å; S96-R98 PolarHBondContact O-N 3.32Å; S96-R98 WeakPolarHBondContact OG-CB 3.08Å; S96-R98 PolarHBondContact OG-N 2.97Å; R98-L100 PolarHBondContact O-N 3.44Å |
| 99 | S | 95.1 | Very high | 95.3 | Very high | 29 Ų | 29 | 79.7 Ų | 79.7 | 20% | 0.203 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -77 | -2.3 | 174.4 | -57.2 | 0 | 0 | 0 | 0 | 113.1 | K65 V95 S96 K97 | K65-S99 WeakPolarHBondContact CG-O 3.17Å; K65-S99 PolarHBondContact N-O 3.36Å; V95-S99 PolarHBondContact N-OG 3.05Å; S96-S99 WeakPolarHBondContact O-CB 3.35Å; S96-S99 PolarHBondContact O-N 3.06Å; S96-S99 PolarHBondContact O-OG 3.43Å; K97-S99 PolarHBondContact O-N 3.45Å |
| 100 | L | 96.8 | Very high | 95.2 | Very high | 9 Ų | 9 | 77.2 Ų | 77.2 | 5% | 0.047 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 160.7 | 177 | -52.5 | 173.7 | 0 | 0 | 0 | 110.9 | M62 T63 T64 K65 I76 L80 L94 K97 R98 | M62-L100 HydrophobicContact CE-CB 3.6Å; M62-L100 HydrophobicContact CE-CD1 4.06Å; M62-L100 HydrophobicContact CE-CG 4.5Å; T63-L100 CarbonylContact O-C 3.55Å; T63-L100 WeakPolarHBondContact O-CA 3.28Å; T64-L100 HydrophobicContact CG2-CD2 3.63Å; K65-L100 WeakPolarHBondContact CE-O 3.42Å; I76-L100 HydrophobicContact CB-CD1 4.42Å; I76-L100 HydrophobicContact CG1-CD1 3.72Å; I76-L100 HydrophobicContact CG1-CD2 4.07Å; I76-L100 HydrophobicContact CG2-CD1 3.77Å; L80-L100 HydrophobicContact CD1-CD1 3.84Å; L94-L100 HydrophobicContact CD1-CD2 4.36Å; K97-L100 WeakPolarHBondContact O-CB 3.48Å; K97-L100 PolarHBondContact O-N 3.01Å; R98-L100 PolarHBondContact O-N 3.44Å |
| 101 | R | 97.3 | Very high | 95 | Very high | 105 Ų | 105 | 78.5 Ų | 78.5 | 40% | 0.396 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 141.8 | 169.6 | 69.5 | -175.6 | -158.6 | 91.9 | 11.7 | 109.6 | T63 D103 | T63-R101 PolarHBondContact N-O 3.12Å; T63-R101 PolarHBondContact O-N 3.03Å; R101-D103 IonicContact NH2-OD1 3.52Å; R101-D103 IonicContact NH2-OD2 3.12Å; R101-D103 PolarHBondContact NH2-OD2 2.8Å; R101-D103 VanDerWaalsContact NH2-OD2 3.12Å |
| 102 | P | 98.1 | Very high | 94.8 | Very high | 90 Ų | 90 | 79.3 Ų | 79.3 | 58% | 0.584 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 147.9 | 165.3 | -20.4 | 32.8 | 0 | 0 | 0 | 111 | M62 | M62-P102 HydrophobicContact SD-CB 4.14Å; M62-P102 HydrophobicContact SD-CG 3.9Å |
| 103 | D | 98 | Very high | 94.7 | Very high | 9 Ų | 9 | 76.9 Ų | 76.9 | 5% | 0.048 | 40% | 0.395 | C | S | . | . | trans | -127.3 | 68.7 | -179.4 | -151.9 | -16.8 | 0 | 0 | 0 | 111.7 | T61 T63 R70 R101 N105 F106 D107 | T61-D103 HydrophobicContact CG2-CB 4.04Å; T61-D103 PolarHBondContact O-N 2.98Å; T63-D103 WeakPolarHBondContact OG1-CB 3.42Å; T63-D103 PolarHBondContact OG1-OD2 3.07Å; R70-D103 IonicContact NE-OD2 3.93Å; R101-D103 IonicContact NH2-OD1 3.52Å; R101-D103 IonicContact NH2-OD2 3.12Å; R101-D103 PolarHBondContact NH2-OD2 2.8Å; R101-D103 VanDerWaalsContact NH2-OD2 3.12Å; D103-N105 PolarHBondContact O-N 2.78Å; D103-F106 HydrophobicContact CB-CB 4.15Å; D103-F106 WeakPolarHBondContact O-CB 3.16Å; D103-F106 PolarHBondContact O-N 3.08Å; D103-D107 PolarHBondContact O-N 3.06Å | ||
| 104 | P | 97.8 | Very high | 94.3 | Very high | 84 Ų | 84 | 70.8 Ų | 70.8 | 55% | 0.545 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.3 | -25.5 | -175.4 | 26.4 | -35.6 | 0 | 0 | 0 | 113.1 | F106 D107 A108 | P104-F106 VanDerWaalsContact C-N 3.31Å; P104-D107 PolarHBondContact O-N 2.9Å; P104-A108 WeakPolarHBondContact O-CB 3.47Å; P104-A108 PolarHBondContact O-N 2.62Å |
| 105 | N | 97.4 | Very high | 93.9 | Very high | 132 Ų | 132 | 76.3 Ų | 76.3 | 71% | 0.706 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -66.3 | -36.8 | 175.3 | -67.3 | -11.4 | 0 | 0 | 0 | 111.3 | D103 A108 L109 | D103-N105 PolarHBondContact O-N 2.78Å; N105-A108 PolarHBondContact O-N 2.84Å; N105-L109 PolarHBondContact O-N 3.29Å |
| 106 | F | 96.7 | Very high | 93.6 | Very high | 24 Ų | 24 | 73.3 Ų | 73.3 | 11% | 0.105 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -72.6 | -38.8 | 177.2 | -160.1 | -95.5 | 0 | 0 | 0 | 111.4 | L49 L58 T61 R70 D103 P104 A108 L109 I110 | L49-F106 HydrophobicContact CD2-CE1 3.92Å; L49-F106 HydrophobicContact CD2-CZ 3.64Å; L58-F106 HydrophobicContact CD1-CD1 4.15Å; L58-F106 HydrophobicContact CD1-CE1 3.55Å; L58-F106 HydrophobicContact CD1-CZ 4.46Å; T61-F106 HydrophobicContact CG2-CB 4.41Å; T61-F106 HydrophobicContact CG2-CD1 4.01Å; T61-F106 HydrophobicContact CG2-CG 4.48Å; R70-F106 VanDerWaalsContact NE-CD2 3.32Å; D103-F106 HydrophobicContact CB-CB 4.15Å; D103-F106 WeakPolarHBondContact O-CB 3.16Å; D103-F106 PolarHBondContact O-N 3.08Å; P104-F106 VanDerWaalsContact C-N 3.31Å; F106-A108 VanDerWaalsContact C-N 3.33Å; F106-A108 PolarHBondContact O-N 2.84Å; F106-L109 HydrophobicContact CD2-CD2 4.42Å; F106-L109 HydrophobicContact CE2-CD2 4.41Å; F106-L109 WeakPolarHBondContact O-CB 3.45Å; F106-L109 PolarHBondContact O-N 2.98Å; F106-I110 HydrophobicContact CD1-CD1 3.71Å; F106-I110 HydrophobicContact CD1-CG1 4.22Å; F106-I110 HydrophobicContact CE1-CD1 3.78Å; F106-I110 HydrophobicContact CE1-CG1 4.16Å; F106-I110 WeakPolarHBondContact O-CG1 3.13Å; F106-I110 PolarHBondContact O-N 3.17Å |
| 107 | D | 95.9 | Very high | 93.1 | Very high | 39 Ų | 39 | 73.7 Ų | 73.7 | 21% | 0.209 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.6 | -43 | 172.2 | -68.2 | -28.6 | 0 | 0 | 0 | 111.2 | N60 T61 D103 P104 L109 I110 S111 | N60-D107 WeakPolarHBondContact CA-OD2 3.32Å; T61-D107 WeakPolarHBondContact CB-OD1 3.07Å; T61-D107 PolarHBondContact N-OD1 2.98Å; T61-D107 PolarHBondContact N-OD2 3.4Å; T61-D107 VanDerWaalsContact N-OD2 3.09Å; T61-D107 PolarHBondContact OG1-OD1 3.18Å; D103-D107 PolarHBondContact O-N 3.06Å; P104-D107 PolarHBondContact O-N 2.9Å; D107-L109 VanDerWaalsContact C-N 3.34Å; D107-L109 PolarHBondContact O-N 2.9Å; D107-I110 PolarHBondContact O-N 2.9Å; D107-S111 PolarHBondContact O-N 3.43Å; D107-S111 PolarHBondContact O-OG 2.77Å |
| 108 | A | 95.6 | Very high | 92.5 | Very high | 54 Ų | 54 | 73.2 Ų | 73.2 | 45% | 0.446 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64 | -37.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | P104 N105 F106 S111 K112 | P104-A108 WeakPolarHBondContact O-CB 3.47Å; P104-A108 PolarHBondContact O-N 2.62Å; N105-A108 PolarHBondContact O-N 2.84Å; F106-A108 VanDerWaalsContact C-N 3.33Å; F106-A108 PolarHBondContact O-N 2.84Å; A108-S111 PolarHBondContact O-N 3.48Å; A108-K112 WeakPolarHBondContact O-CG 3.38Å; A108-K112 PolarHBondContact O-N 2.66Å; A108-K112 VanDerWaalsContact O-N 3.07Å |
| 109 | L | 93.8 | Very high | 91.9 | Very high | 85 Ų | 85 | 70.2 Ų | 70.2 | 45% | 0.445 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 173.4 | 177 | 63.1 | 0 | 0 | 0 | 111.2 | N105 F106 D107 S111 K112 I113 | N105-L109 PolarHBondContact O-N 3.29Å; F106-L109 HydrophobicContact CD2-CD2 4.42Å; F106-L109 HydrophobicContact CE2-CD2 4.41Å; F106-L109 WeakPolarHBondContact O-CB 3.45Å; F106-L109 PolarHBondContact O-N 2.98Å; D107-L109 VanDerWaalsContact C-N 3.34Å; D107-L109 PolarHBondContact O-N 2.9Å; L109-S111 VanDerWaalsContact C-N 3.32Å; L109-S111 PolarHBondContact O-N 3.39Å; L109-K112 PolarHBondContact O-N 3.31Å; L109-K112 VanDerWaalsContact O-N 3.09Å; L109-I113 HydrophobicContact CD1-CD1 3.92Å; L109-I113 HydrophobicContact CD1-CG1 4.32Å; L109-I113 HydrophobicContact CG-CD1 3.87Å; L109-I113 WeakPolarHBondContact O-CG1 3.38Å; L109-I113 PolarHBondContact O-N 3.35Å |
| 110 | I | 93.3 | Very high | 91.2 | Very high | 12 Ų | 12 | 69.9 Ų | 69.9 | 6% | 0.062 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -57.5 | -46.6 | 175.2 | -68.9 | 165.6 | 0 | 0 | 0 | 110.3 | L49 M57 L58 F106 D107 K112 I113 Y114 | L49-I110 HydrophobicContact CD2-CG1 3.95Å; M57-I110 HydrophobicContact CG-CG2 4Å; M57-I110 HydrophobicContact SD-CG2 3.93Å; L58-I110 HydrophobicContact CB-CD1 3.8Å; F106-I110 HydrophobicContact CD1-CD1 3.71Å; F106-I110 HydrophobicContact CD1-CG1 4.22Å; F106-I110 HydrophobicContact CE1-CD1 3.78Å; F106-I110 HydrophobicContact CE1-CG1 4.16Å; F106-I110 WeakPolarHBondContact O-CG1 3.13Å; F106-I110 PolarHBondContact O-N 3.17Å; D107-I110 PolarHBondContact O-N 2.9Å; I110-K112 PolarHBondContact O-N 3.05Å; I110-I113 PolarHBondContact O-N 3.4Å; I110-Y114 PolarHBondContact O-N 2.93Å |
| 111 | S | 92.4 | Very high | 90.5 | Very high | 77 Ų | 77 | 72.5 Ų | 72.5 | 54% | 0.538 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.2 | -25.1 | 177.9 | -60.4 | 0 | 0 | 0 | 0 | 113.9 | D107 A108 L109 Y114 P115 | D107-S111 PolarHBondContact O-N 3.43Å; D107-S111 PolarHBondContact O-OG 2.77Å; A108-S111 PolarHBondContact O-N 3.48Å; L109-S111 VanDerWaalsContact C-N 3.32Å; L109-S111 PolarHBondContact O-N 3.39Å; S111-Y114 CarbonylContact O-C 3.53Å; S111-P115 WeakPolarHBondContact O-CA 3.47Å |
| 112 | K | 91.6 | Very high | 89.8 | Confident | 179 Ų | 179 | 69.4 Ų | 69.4 | 78% | 0.778 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -77.8 | -36.1 | 173.7 | -73.7 | -66.2 | -173.7 | -179.2 | 0 | 112.7 | A108 L109 I110 | A108-K112 WeakPolarHBondContact O-CG 3.38Å; A108-K112 PolarHBondContact O-N 2.66Å; A108-K112 VanDerWaalsContact O-N 3.07Å; L109-K112 PolarHBondContact O-N 3.31Å; L109-K112 VanDerWaalsContact O-N 3.09Å; I110-K112 PolarHBondContact O-N 3.05Å |
| 113 | I | 89.9 | Confident | 89 | Confident | 36 Ų | 36 | 68 Ų | 68 | 19% | 0.185 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -76.9 | -39.7 | 178.6 | -62.6 | 165.3 | 0 | 0 | 0 | 110.7 | P42 L45 L49 L109 I110 | P42-I113 HydrophobicContact CB-CG2 3.83Å; P42-I113 HydrophobicContact CG-CG2 4.41Å; L45-I113 HydrophobicContact CD1-CD1 3.82Å; L45-I113 HydrophobicContact CD1-CG1 4.49Å; L45-I113 HydrophobicContact CD1-CG2 4.21Å; L49-I113 HydrophobicContact CD1-CD1 4.04Å; L49-I113 HydrophobicContact CD1-CG2 4.34Å; L49-I113 HydrophobicContact CD2-CD1 4.49Å; L109-I113 HydrophobicContact CD1-CD1 3.92Å; L109-I113 HydrophobicContact CD1-CG1 4.32Å; L109-I113 HydrophobicContact CG-CD1 3.87Å; L109-I113 WeakPolarHBondContact O-CG1 3.38Å; L109-I113 PolarHBondContact O-N 3.35Å; I110-I113 PolarHBondContact O-N 3.4Å |
| 114 | Y | 88.5 | Confident | 88.1 | Confident | 34 Ų | 34 | 70.4 Ų | 70.4 | 13% | 0.133 | 38% | 0.38 | C | S | . | . | trans | -124.5 | 86.4 | 178.2 | -68.6 | -76.7 | 0 | 0 | 0 | 109.9 | P42 R43 L49 M57 I110 S111 S116 Y120 | P42-Y114 HydrophobicContact CB-CE1 3.91Å; P42-Y114 HydrophobicContact CB-CE2 4.18Å; P42-Y114 PolarHBondContact O-OH 3.43Å; R43-Y114 PolarHBondContact N-OH 2.85Å; L49-Y114 HydrophobicContact CD1-CD2 4.21Å; L49-Y114 HydrophobicContact CD1-CE2 3.91Å; M57-Y114 HydrophobicContact CE-CD2 3.49Å; M57-Y114 VanDerWaalsContact CE-CD2 3.49Å; M57-Y114 HydrophobicContact CE-CE2 3.35Å; M57-Y114 HydrophobicContact CE-CG 4.27Å; M57-Y114 HydrophobicContact SD-CD2 4.31Å; M57-Y114 HydrophobicContact SD-CE2 4.47Å; I110-Y114 PolarHBondContact O-N 2.93Å; S111-Y114 CarbonylContact O-C 3.53Å; Y114-S116 VanDerWaalsContact C-N 3.29Å; Y114-S116 PolarHBondContact O-N 3.42Å; Y114-Y120 AromaticContact CD1-CD2 3.76Å; Y114-Y120 HydrophobicContact CD1-CD2 3.76Å; Y114-Y120 HydrophobicContact CD1-CG 4.22Å; Y114-Y120 AromaticContact CE1-CD2 3.37Å; Y114-Y120 HydrophobicContact CE1-CD2 3.37Å; Y114-Y120 AromaticContact CE1-CE2 3.85Å; Y114-Y120 HydrophobicContact CE1-CE2 3.85Å; Y114-Y120 HydrophobicContact CE1-CG 4.26Å; Y114-Y120 AromaticContact CZ-CD2 3.89Å; Y114-Y120 AromaticContact CZ-CE2 3.88Å | ||
| 115 | P | 85.2 | Confident | 87.4 | Confident | 118 Ų | 118 | 73.1 Ų | 73.1 | 77% | 0.766 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -60 | -36.5 | -179 | -25.8 | 35.4 | 0 | 0 | 0 | 113.8 | S111 | S111-P115 WeakPolarHBondContact O-CA 3.47Š|
| 116 | S | 84 | Confident | 86.7 | Confident | 36 Ų | 36 | 73.6 Ų | 73.6 | 25% | 0.252 | 38% | 0.378 | S | S | . | . | trans | -116.7 | 112.4 | 175.6 | -179.5 | 0 | 0 | 0 | 0 | 109.7 | Y114 E119 | Y114-S116 VanDerWaalsContact C-N 3.29Å; Y114-S116 PolarHBondContact O-N 3.42Å; S116-E119 WeakPolarHBondContact OG-CG 3.06Å; S116-E119 PolarHBondContact OG-N 2.84Å | ||
| 117 | R | 80.2 | Confident | 85.9 | Confident | 57 Ų | 57 | 75 Ų | 75 | 22% | 0.215 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -72 | -36 | 176.2 | -176.2 | 163.9 | -175.1 | 136.4 | 5.5 | 112 | D56 M57 L58 K59 E119 Y120 E121 | D56-R117 IonicContact OD1-NH2 3.48Å; D56-R117 PolarHBondContact OD1-NH2 2.84Å; D56-R117 IonicContact OD2-NH2 2.96Å; D56-R117 PolarHBondContact OD2-NH2 3.05Å; M57-R117 PolarHBondContact O-NH1 3.3Å; M57-R117 PolarHBondContact O-NH2 3.26Å; L58-R117 PolarHBondContact O-NH1 2.96Å; K59-R117 VanDerWaalsContact CG-CZ 3.47Å; R117-E119 VanDerWaalsContact C-N 3.28Å; R117-E119 PolarHBondContact O-N 3.18Å; R117-Y120 WeakPolarHBondContact O-CB 3.47Å; R117-Y120 PolarHBondContact O-N 3.1Å; R117-Y120 VanDerWaalsContact O-N 3.09Å; R117-E121 HydrophobicContact CG-CG 4.17Å; R117-E121 IonicContact CZ-OE1 3.7Å; R117-E121 IonicContact NE-OE1 2.84Å; R117-E121 PolarHBondContact NE-OE1 3.01Å; R117-E121 IonicContact NH2-OE1 3.67Å; R117-E121 PolarHBondContact O-N 3.13Å |
| 118 | D | 80.9 | Confident | 85.1 | Confident | 121 Ų | 121 | 78 Ų | 78 | 65% | 0.647 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62.6 | -38 | -179.2 | -61 | -17.5 | 0 | 0 | 0 | 111.1 | Y120 E121 A122 | D118-Y120 VanDerWaalsContact C-N 3.34Å; D118-E121 PolarHBondContact O-N 3.43Å; D118-A122 WeakPolarHBondContact O-CB 3.31Å; D118-A122 PolarHBondContact O-N 2.9Å |
| 119 | E | 81.1 | Confident | 84.4 | Confident | 145 Ų | 145 | 78.3 Ų | 78.3 | 68% | 0.678 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -64.5 | -39.6 | 174.4 | -74.6 | 174.4 | -159.4 | 0 | 0 | 112.3 | S116 R117 H123 | S116-E119 WeakPolarHBondContact OG-CG 3.06Å; S116-E119 PolarHBondContact OG-N 2.84Å; R117-E119 VanDerWaalsContact C-N 3.28Å; R117-E119 PolarHBondContact O-N 3.18Å; E119-H123 VanDerWaalsContact O-CB 3.28Å; E119-H123 WeakPolarHBondContact O-CB 3.48Å; E119-H123 PolarHBondContact O-N 2.8Å |
| 120 | Y | 79.7 | Confident | 83.4 | Confident | 21 Ų | 21 | 77.6 Ų | 77.6 | 8% | 0.082 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65.8 | -49.3 | 176.1 | 174.6 | -93.6 | 0 | 0 | 0 | 111.4 | H46 M57 Y114 R117 D118 H123 Q124 | H46-Y120 PolarHBondContact CE1-OH 3.28Å; H46-Y120 PolarHBondContact ND1-OH 3.11Å; M57-Y120 HydrophobicContact CB-CE1 4.33Å; M57-Y120 HydrophobicContact CE-CD1 4.43Å; M57-Y120 HydrophobicContact CE-CE1 3.98Å; M57-Y120 HydrophobicContact CE-CE2 4.07Å; Y114-Y120 AromaticContact CD1-CD2 3.76Å; Y114-Y120 HydrophobicContact CD1-CD2 3.76Å; Y114-Y120 HydrophobicContact CD1-CG 4.22Å; Y114-Y120 AromaticContact CE1-CD2 3.37Å; Y114-Y120 HydrophobicContact CE1-CD2 3.37Å; Y114-Y120 AromaticContact CE1-CE2 3.85Å; Y114-Y120 HydrophobicContact CE1-CE2 3.85Å; Y114-Y120 HydrophobicContact CE1-CG 4.26Å; Y114-Y120 AromaticContact CZ-CD2 3.89Å; Y114-Y120 AromaticContact CZ-CE2 3.88Å; R117-Y120 WeakPolarHBondContact O-CB 3.47Å; R117-Y120 PolarHBondContact O-N 3.1Å; R117-Y120 VanDerWaalsContact O-N 3.09Å; D118-Y120 VanDerWaalsContact C-N 3.34Å; Y120-H123 PolarHBondContact O-N 3.03Å; Y120-Q124 HydrophobicContact CD1-CG 4.32Å; Y120-Q124 HydrophobicContact CE1-CG 3.86Å; Y120-Q124 HydrophobicContact CE2-CG 4.3Å; Y120-Q124 VanDerWaalsContact CZ-CD 3.49Å; Y120-Q124 VanDerWaalsContact CZ-OE1 3.25Å; Y120-Q124 WeakPolarHBondContact O-CG 3.31Å; Y120-Q124 PolarHBondContact O-N 3.23Å; Y120-Q124 PolarHBondContact OH-NE2 2.69Å; Y120-Q124 PolarHBondContact OH-OE1 3.3Å |
| 121 | E | 82.1 | Confident | 82.5 | Confident | 64 Ų | 64 | 80.8 Ų | 80.8 | 30% | 0.299 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 178.4 | -70.2 | -176.5 | -175 | 0 | 0 | 110.7 | K59 R117 D118 H123 Q124 E125 | K59-E121 IonicContact NZ-OE1 3.04Å; K59-E121 PolarHBondContact NZ-OE1 3.46Å; R117-E121 HydrophobicContact CG-CG 4.17Å; R117-E121 IonicContact CZ-OE1 3.7Å; R117-E121 IonicContact NE-OE1 2.84Å; R117-E121 PolarHBondContact NE-OE1 3.01Å; R117-E121 IonicContact NH2-OE1 3.67Å; R117-E121 PolarHBondContact O-N 3.13Å; D118-E121 PolarHBondContact O-N 3.43Å; E121-H123 VanDerWaalsContact C-N 3.29Å; E121-H123 PolarHBondContact O-N 2.95Å; E121-Q124 PolarHBondContact O-N 3.5Å; E121-E125 PolarHBondContact O-N 3.48Å |
| 122 | A | 83.2 | Confident | 81.7 | Confident | 41 Ų | 41 | 82 Ų | 82 | 34% | 0.339 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.2 | -33.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | D118 R126 | D118-A122 WeakPolarHBondContact O-CB 3.31Å; D118-A122 PolarHBondContact O-N 2.9Å; A122-R126 WeakPolarHBondContact O-CB 3.2Å; A122-R126 PolarHBondContact O-N 3.34Å; A122-R126 VanDerWaalsContact O-N 3.15Å; A122-R126 PolarHBondContact O-NH1 3.5Å |
| 123 | H | 81.1 | Confident | 80.7 | Confident | 59 Ų | 59 | 79.3 Ų | 79.3 | 27% | 0.273 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -69.2 | -44.3 | 173.5 | -175.2 | 84.8 | 0 | 0 | 0 | 111.7 | R43 E119 Y120 E121 R126 V127 | R43-H123 VanDerWaalsContact CZ-NE2 3.29Å; R43-H123 PolarHBondContact NH1-CD2 3.32Å; R43-H123 PolarHBondContact NH1-NE2 3.44Å; R43-H123 PolarHBondContact NH2-CD2 2.87Å; R43-H123 VanDerWaalsContact NH2-CD2 3.33Å; R43-H123 PolarHBondContact NH2-CE1 2.92Å; R43-H123 PolarHBondContact NH2-NE2 3.15Å; E119-H123 VanDerWaalsContact O-CB 3.28Å; E119-H123 WeakPolarHBondContact O-CB 3.48Å; E119-H123 PolarHBondContact O-N 2.8Å; Y120-H123 PolarHBondContact O-N 3.03Å; E121-H123 VanDerWaalsContact C-N 3.29Å; E121-H123 PolarHBondContact O-N 2.95Å; H123-R126 PolarHBondContact O-N 3.29Å; H123-V127 WeakPolarHBondContact O-CG2 3.42Å; H123-V127 PolarHBondContact O-N 3.1Å; H123-V127 VanDerWaalsContact O-N 3.1Å |
| 124 | Q | 78.9 | Confident | 79.6 | Confident | 60 Ų | 60 | 81.6 Ų | 81.6 | 28% | 0.28 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 176.2 | -65.7 | -139.1 | -90.9 | 0 | 0 | 111.8 | Y120 E121 R126 V127 L128 | Y120-Q124 HydrophobicContact CD1-CG 4.32Å; Y120-Q124 HydrophobicContact CE1-CG 3.86Å; Y120-Q124 HydrophobicContact CE2-CG 4.3Å; Y120-Q124 VanDerWaalsContact CZ-CD 3.49Å; Y120-Q124 VanDerWaalsContact CZ-OE1 3.25Å; Y120-Q124 WeakPolarHBondContact O-CG 3.31Å; Y120-Q124 PolarHBondContact O-N 3.23Å; Y120-Q124 PolarHBondContact OH-NE2 2.69Å; Y120-Q124 PolarHBondContact OH-OE1 3.3Å; E121-Q124 PolarHBondContact O-N 3.5Å; Q124-R126 VanDerWaalsContact C-N 3.32Å; Q124-R126 PolarHBondContact O-N 2.61Å; Q124-V127 PolarHBondContact O-N 3.32Å; Q124-L128 WeakPolarHBondContact O-CG 3.26Å; Q124-L128 PolarHBondContact O-N 3.22Å |
| 125 | E | 83.8 | Confident | 78.6 | Confident | 141 Ų | 141 | 85 Ų | 85 | 66% | 0.659 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -59.1 | -42.9 | 176.7 | -172.7 | 177.4 | -166.5 | 0 | 0 | 111.6 | E121 V127 L128 A129 | E121-E125 PolarHBondContact O-N 3.48Å; E125-V127 VanDerWaalsContact C-N 3.34Å; E125-V127 PolarHBondContact O-N 3.49Å; E125-L128 PolarHBondContact O-N 3.3Å; E125-A129 VanDerWaalsContact O-CB 3.28Å; E125-A129 WeakPolarHBondContact O-CB 3.4Å; E125-A129 PolarHBondContact O-N 3.46Å |
| 126 | R | 82.2 | Confident | 77.7 | Confident | 143 Ų | 143 | 82.7 Ų | 82.7 | 54% | 0.54 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.5 | -39.8 | 176.7 | -168.4 | -177.1 | -64 | 99.4 | -2 | 112.5 | A122 H123 Q124 R130 | A122-R126 WeakPolarHBondContact O-CB 3.2Å; A122-R126 PolarHBondContact O-N 3.34Å; A122-R126 VanDerWaalsContact O-N 3.15Å; A122-R126 PolarHBondContact O-NH1 3.5Å; H123-R126 PolarHBondContact O-N 3.29Å; Q124-R126 VanDerWaalsContact C-N 3.32Å; Q124-R126 PolarHBondContact O-N 2.61Å; R126-R130 WeakPolarHBondContact O-CB 3.27Å; R126-R130 PolarHBondContact O-N 3.32Å; R126-R130 VanDerWaalsContact O-N 3.09Å |
| 127 | V | 79.4 | Confident | 77 | Confident | 53 Ų | 53 | 88.1 Ų | 88.1 | 32% | 0.321 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -67.4 | -46.7 | 176.9 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | H123 Q124 E125 A129 R130 I131 | H123-V127 WeakPolarHBondContact O-CG2 3.42Å; H123-V127 PolarHBondContact O-N 3.1Å; H123-V127 VanDerWaalsContact O-N 3.1Å; Q124-V127 PolarHBondContact O-N 3.32Å; E125-V127 VanDerWaalsContact C-N 3.34Å; E125-V127 PolarHBondContact O-N 3.49Å; V127-A129 PolarHBondContact O-N 3.4Å; V127-R130 WeakPolarHBondContact O-CB 3.34Å; V127-R130 PolarHBondContact O-N 3.47Å; V127-R130 VanDerWaalsContact O-N 3.17Å; V127-I131 HydrophobicContact CG1-CD1 4.01Å; V127-I131 WeakPolarHBondContact O-CG1 3.2Å; V127-I131 PolarHBondContact O-N 3.02Å |
| 128 | L | 80.8 | Confident | 76.5 | Confident | 102 Ų | 102 | 92.8 Ų | 92.8 | 53% | 0.534 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 177 | -72.6 | 170.4 | 0 | 0 | 0 | 112 | Q124 E125 R130 I131 N132 | Q124-L128 WeakPolarHBondContact O-CG 3.26Å; Q124-L128 PolarHBondContact O-N 3.22Å; E125-L128 PolarHBondContact O-N 3.3Å; L128-R130 VanDerWaalsContact C-N 3.27Å; L128-R130 PolarHBondContact O-N 3.14Å; L128-I131 PolarHBondContact O-N 3.04Å; L128-N132 WeakPolarHBondContact O-CB 3.38Å; L128-N132 PolarHBondContact O-N 3.32Å; L128-N132 PolarHBondContact O-ND2 3.49Å |
| 129 | A | 80.7 | Confident | 76.1 | Confident | 60 Ų | 60 | 89.1 Ų | 89.1 | 50% | 0.496 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.7 | -39.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E125 V127 N132 K133 | E125-A129 VanDerWaalsContact O-CB 3.28Å; E125-A129 WeakPolarHBondContact O-CB 3.4Å; E125-A129 PolarHBondContact O-N 3.46Å; V127-A129 PolarHBondContact O-N 3.4Å; A129-N132 PolarHBondContact O-N 3.47Å; A129-K133 PolarHBondContact O-N 2.92Å |
| 130 | R | 71.4 | Confident | 75.8 | Confident | 71 Ų | 71 | 87.5 Ų | 87.5 | 27% | 0.268 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67.1 | -44 | 176.2 | -175 | -176.9 | -68.2 | 158.9 | -12.3 | 112.3 | R126 V127 L128 N132 K133 H134 G222 | R126-R130 WeakPolarHBondContact O-CB 3.27Å; R126-R130 PolarHBondContact O-N 3.32Å; R126-R130 VanDerWaalsContact O-N 3.09Å; V127-R130 WeakPolarHBondContact O-CB 3.34Å; V127-R130 PolarHBondContact O-N 3.47Å; V127-R130 VanDerWaalsContact O-N 3.17Å; L128-R130 VanDerWaalsContact C-N 3.27Å; L128-R130 PolarHBondContact O-N 3.14Å; R130-N132 VanDerWaalsContact C-N 3.33Å; R130-K133 PolarHBondContact O-N 3.4Å; R130-H134 PolarHBondContact O-N 2.95Å; R130-H134 PolarHBondContact O-ND1 3.37Å; R130-G222 VanDerWaalsContact CZ-O 3.26Å; R130-G222 PolarHBondContact NH1-O 2.91Å; R130-G222 PolarHBondContact NH2-O 3.13Å |
| 131 | I | 75.8 | Confident | 75.9 | Confident | 78 Ų | 78 | 89.6 Ų | 89.6 | 40% | 0.4 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 176.5 | -67.1 | 167.1 | 0 | 0 | 0 | 109.7 | V127 L128 K133 H134 N135 | V127-I131 HydrophobicContact CG1-CD1 4.01Å; V127-I131 WeakPolarHBondContact O-CG1 3.2Å; V127-I131 PolarHBondContact O-N 3.02Å; L128-I131 PolarHBondContact O-N 3.04Å; I131-K133 VanDerWaalsContact C-N 3.26Å; I131-K133 PolarHBondContact O-N 3.26Å; I131-H134 PolarHBondContact O-N 3.46Å; I131-H134 VanDerWaalsContact O-N 3.17Å; I131-N135 WeakPolarHBondContact O-CB 3.4Å; I131-N135 PolarHBondContact O-N 2.9Å |
| 132 | N | 75.7 | Confident | 75.9 | Confident | 104 Ų | 104 | 92 Ų | 92 | 56% | 0.556 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -62.8 | -30.4 | 177.5 | -73.9 | -20.6 | 0 | 0 | 0 | 113.1 | L128 A129 R130 | L128-N132 WeakPolarHBondContact O-CB 3.38Å; L128-N132 PolarHBondContact O-N 3.32Å; L128-N132 PolarHBondContact O-ND2 3.49Å; A129-N132 PolarHBondContact O-N 3.47Å; R130-N132 VanDerWaalsContact C-N 3.33Å |
| 133 | K | 71 | Confident | 76 | Confident | 122 Ų | 122 | 93.7 Ų | 93.7 | 53% | 0.53 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -70.1 | -36.1 | 174.8 | -172.6 | -178.6 | 176.8 | -173.8 | 0 | 112.7 | A129 R130 I131 E316 | A129-K133 PolarHBondContact O-N 2.92Å; R130-K133 PolarHBondContact O-N 3.4Å; I131-K133 VanDerWaalsContact C-N 3.26Å; I131-K133 PolarHBondContact O-N 3.26Å; K133-E316 IonicContact NZ-OE1 2.62Å; K133-E316 PolarHBondContact NZ-OE1 3.31Å |
| 134 | H | 65.7 | Low | 76.3 | Confident | 83 Ų | 83 | 95.3 Ų | 95.3 | 38% | 0.384 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -88.6 | -23.8 | -178.6 | -67.9 | 79.7 | 0 | 0 | 0 | 112.7 | R130 I131 N136 | R130-H134 PolarHBondContact O-N 2.95Å; R130-H134 PolarHBondContact O-ND1 3.37Å; I131-H134 PolarHBondContact O-N 3.46Å; I131-H134 VanDerWaalsContact O-N 3.17Å; H134-N136 PolarHBondContact O-N 3.36Å |
| 135 | N | 67.1 | Low | 76.9 | Confident | 107 Ų | 107 | 99 Ų | 99 | 57% | 0.572 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -70.1 | 124.6 | 171.4 | -108.1 | -27.2 | 0 | 0 | 0 | 109.5 | I131 Q137 | I131-N135 WeakPolarHBondContact O-CB 3.4Å; I131-N135 PolarHBondContact O-N 2.9Å; N135-Q137 PolarHBondContact O-N 2.95Å |
| 136 | N | 66.2 | Low | 77.1 | Confident | 68 Ų | 68 | 97.1 Ų | 97.1 | 36% | 0.364 | 50% | 0.498 | S | S | . | . | trans | -73 | 68.2 | 178.4 | -164.7 | -11.7 | 0 | 0 | 0 | 110.1 | H134 Q138 A139 L140 | H134-N136 PolarHBondContact O-N 3.36Å; N136-Q138 PolarHBondContact O-N 3.35Å; N136-Q138 VanDerWaalsContact O-N 3.07Å; N136-A139 HydrophobicContact CB-CB 3.92Å; N136-A139 VanDerWaalsContact ND2-CB 3.26Å; N136-A139 WeakPolarHBondContact ND2-CB 3.33Å; N136-A139 PolarHBondContact O-N 3.46Å; N136-A139 WeakPolarHBondContact OD1-CB 3.47Å; N136-A139 PolarHBondContact OD1-N 3.25Å; N136-L140 PolarHBondContact O-N 2.94Å | ||
| 137 | Q | 69.2 | Low | 77.4 | Confident | 150 Ų | 150 | 91.6 Ų | 91.6 | 70% | 0.701 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -53.7 | -32.1 | -179.5 | -168.5 | 177.3 | 33.5 | 0 | 0 | 110.6 | N135 S141 | N135-Q137 PolarHBondContact O-N 2.95Å; Q137-S141 WeakPolarHBondContact O-CB 3.36Å; Q137-S141 PolarHBondContact O-N 3.37Å; Q137-S141 PolarHBondContact O-OG 2.9Å; Q137-S141 VanDerWaalsContact O-OG 3.13Å |
| 138 | Q | 69.5 | Low | 78 | Confident | 155 Ų | 155 | 94.1 Ų | 94.1 | 72% | 0.724 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -68.6 | -43.7 | 175 | -67.1 | -177.3 | -3.4 | 0 | 0 | 113.3 | N136 L140 S141 H142 | N136-Q138 PolarHBondContact O-N 3.35Å; N136-Q138 VanDerWaalsContact O-N 3.07Å; Q138-L140 VanDerWaalsContact C-N 3.34Å; Q138-S141 WeakPolarHBondContact CA-OG 3.18Å; Q138-S141 PolarHBondContact O-N 3.34Å; Q138-S141 PolarHBondContact O-OG 2.94Å; Q138-H142 VanDerWaalsContact O-CB 3.26Å; Q138-H142 WeakPolarHBondContact O-CB 3.3Å; Q138-H142 PolarHBondContact O-N 2.87Å |
| 139 | A | 72.8 | Confident | 78.5 | Confident | 45 Ų | 45 | 95.6 Ų | 95.6 | 37% | 0.372 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.5 | -38 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | N136 S143 | N136-A139 HydrophobicContact CB-CB 3.92Å; N136-A139 VanDerWaalsContact ND2-CB 3.26Å; N136-A139 WeakPolarHBondContact ND2-CB 3.33Å; N136-A139 PolarHBondContact O-N 3.46Å; N136-A139 WeakPolarHBondContact OD1-CB 3.47Å; N136-A139 PolarHBondContact OD1-N 3.25Å; A139-S143 WeakPolarHBondContact O-CB 3.48Å; A139-S143 PolarHBondContact O-N 3.2Å |
| 140 | L | 75.9 | Confident | 78.9 | Confident | 110 Ų | 110 | 97 Ų | 97 | 58% | 0.576 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.7 | -46.8 | 174.5 | -178.7 | 61.5 | 0 | 0 | 0 | 110.9 | N136 Q138 H142 S143 I144 | N136-L140 PolarHBondContact O-N 2.94Å; Q138-L140 VanDerWaalsContact C-N 3.34Å; L140-H142 PolarHBondContact O-N 2.88Å; L140-S143 PolarHBondContact O-N 2.89Å; L140-I144 HydrophobicContact CD1-CD1 3.97Å; L140-I144 HydrophobicContact CD1-CG1 4.22Å; L140-I144 HydrophobicContact CG-CD1 3.83Å; L140-I144 HydrophobicContact CG-CG1 4.48Å; L140-I144 WeakPolarHBondContact O-CB 3.4Å; L140-I144 VanDerWaalsContact O-CG1 3.26Å; L140-I144 WeakPolarHBondContact O-CG1 3.25Å; L140-I144 PolarHBondContact O-N 3.38Å |
| 141 | S | 81 | Confident | 79.7 | Confident | 65 Ų | 65 | 99.2 Ų | 99.2 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 178.1 | 61.5 | 0 | 0 | 0 | 0 | 111.9 | Q137 Q138 I144 E145 | Q137-S141 WeakPolarHBondContact O-CB 3.36Å; Q137-S141 PolarHBondContact O-N 3.37Å; Q137-S141 PolarHBondContact O-OG 2.9Å; Q137-S141 VanDerWaalsContact O-OG 3.13Å; Q138-S141 WeakPolarHBondContact CA-OG 3.18Å; Q138-S141 PolarHBondContact O-N 3.34Å; Q138-S141 PolarHBondContact O-OG 2.94Å; S141-I144 PolarHBondContact O-N 3.38Å; S141-E145 WeakPolarHBondContact O-CB 3.45Å; S141-E145 PolarHBondContact O-N 2.92Å |
| 142 | H | 83 | Confident | 80.4 | Confident | 115 Ų | 115 | 97.9 Ų | 97.9 | 53% | 0.532 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 175.9 | -173.9 | -78.2 | 0 | 0 | 0 | 111.4 | Q138 L140 E145 E146 | Q138-H142 VanDerWaalsContact O-CB 3.26Å; Q138-H142 WeakPolarHBondContact O-CB 3.3Å; Q138-H142 PolarHBondContact O-N 2.87Å; L140-H142 PolarHBondContact O-N 2.88Å; H142-E145 PolarHBondContact O-N 2.86Å; H142-E146 IonicContact CE1-OE2 2.95Å; H142-E146 PolarHBondContact CE1-OE2 2.81Å; H142-E146 IonicContact ND1-OE2 3.83Å; H142-E146 VanDerWaalsContact O-CB 3.25Å; H142-E146 WeakPolarHBondContact O-CB 3.49Å; H142-E146 PolarHBondContact O-N 3.28Å |
| 143 | S | 85.6 | Confident | 80.9 | Confident | 76 Ų | 76 | 97.6 Ų | 97.6 | 53% | 0.531 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 177.3 | -178.2 | 0 | 0 | 0 | 0 | 112.2 | A139 L140 G147 | A139-S143 WeakPolarHBondContact O-CB 3.48Å; A139-S143 PolarHBondContact O-N 3.2Å; L140-S143 PolarHBondContact O-N 2.89Å; S143-G147 PolarHBondContact O-N 3.46Å |
| 144 | I | 87.6 | Confident | 81.6 | Confident | 94 Ų | 94 | 95.8 Ų | 95.8 | 48% | 0.482 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.1 | -46.5 | 175.6 | -69.1 | 167.4 | 0 | 0 | 0 | 110.6 | L140 S141 G147 L148 | L140-I144 HydrophobicContact CD1-CD1 3.97Å; L140-I144 HydrophobicContact CD1-CG1 4.22Å; L140-I144 HydrophobicContact CG-CD1 3.83Å; L140-I144 HydrophobicContact CG-CG1 4.48Å; L140-I144 WeakPolarHBondContact O-CB 3.4Å; L140-I144 VanDerWaalsContact O-CG1 3.26Å; L140-I144 WeakPolarHBondContact O-CG1 3.25Å; L140-I144 PolarHBondContact O-N 3.38Å; S141-I144 PolarHBondContact O-N 3.38Å; I144-G147 PolarHBondContact O-N 2.87Å; I144-L148 HydrophobicContact CG2-CD1 3.87Å; I144-L148 WeakPolarHBondContact O-CB 3.38Å; I144-L148 WeakPolarHBondContact O-CG 3.26Å; I144-L148 PolarHBondContact O-N 3.43Å |
| 145 | E | 89.8 | Confident | 82.6 | Confident | 137 Ų | 137 | 101.2 Ų | 101.2 | 64% | 0.64 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.9 | -44.3 | 179.2 | -175 | 175.7 | -178.1 | 0 | 0 | 111.6 | S141 H142 L148 K149 | S141-E145 WeakPolarHBondContact O-CB 3.45Å; S141-E145 PolarHBondContact O-N 2.92Å; H142-E145 PolarHBondContact O-N 2.86Å; E145-L148 PolarHBondContact O-N 2.86Å; E145-K149 WeakPolarHBondContact O-CB 3.34Å; E145-K149 PolarHBondContact O-N 2.99Å |
| 146 | E | 88.4 | Confident | 83.2 | Confident | 102 Ų | 102 | 102.4 Ų | 102.4 | 48% | 0.477 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.2 | -42 | 176.5 | -167.7 | 174.5 | -174.6 | 0 | 0 | 111.4 | H142 K149 I150 | H142-E146 IonicContact CE1-OE2 2.95Å; H142-E146 PolarHBondContact CE1-OE2 2.81Å; H142-E146 IonicContact ND1-OE2 3.83Å; H142-E146 VanDerWaalsContact O-CB 3.25Å; H142-E146 WeakPolarHBondContact O-CB 3.49Å; H142-E146 PolarHBondContact O-N 3.28Å; E146-K149 WeakPolarHBondContact O-CB 3.26Å; E146-K149 PolarHBondContact O-N 2.95Å; E146-I150 HydrophobicContact CG-CD1 4.23Å; E146-I150 VanDerWaalsContact O-CG1 3.31Å; E146-I150 WeakPolarHBondContact O-CG1 3.48Å; E146-I150 PolarHBondContact O-N 2.91Å |
| 147 | G | 89.1 | Confident | 83.6 | Confident | 26 Ų | 26 | 105.4 Ų | 105.4 | 27% | 0.268 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61 | -45.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | S143 I144 K149 I150 Q151 | S143-G147 PolarHBondContact O-N 3.46Å; I144-G147 PolarHBondContact O-N 2.87Å; G147-K149 VanDerWaalsContact C-N 3.32Å; G147-K149 PolarHBondContact O-N 2.95Å; G147-I150 PolarHBondContact O-N 3.3Å; G147-Q151 VanDerWaalsContact O-CG 3.3Å; G147-Q151 WeakPolarHBondContact O-CG 3.42Å; G147-Q151 PolarHBondContact O-N 3.34Å |
| 148 | L | 92 | Very high | 83.5 | Confident | 107 Ų | 107 | 108 Ų | 108 | 56% | 0.56 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -59.9 | -42.6 | 174.2 | -84.1 | 159 | 0 | 0 | 0 | 111.5 | I144 E145 Q151 A152 | I144-L148 HydrophobicContact CG2-CD1 3.87Å; I144-L148 WeakPolarHBondContact O-CB 3.38Å; I144-L148 WeakPolarHBondContact O-CG 3.26Å; I144-L148 PolarHBondContact O-N 3.43Å; E145-L148 PolarHBondContact O-N 2.86Å; L148-Q151 PolarHBondContact O-N 3.11Å; L148-A152 WeakPolarHBondContact O-CB 3.47Å; L148-A152 PolarHBondContact O-N 2.8Å |
| 149 | K | 91.1 | Very high | 83.1 | Confident | 133 Ų | 133 | 102.8 Ų | 102.8 | 58% | 0.578 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.7 | -43.5 | 178.2 | -169.6 | 175.3 | -177.7 | 176.5 | 0 | 111.9 | E145 E146 G147 A152 M153 | E145-K149 WeakPolarHBondContact O-CB 3.34Å; E145-K149 PolarHBondContact O-N 2.99Å; E146-K149 WeakPolarHBondContact O-CB 3.26Å; E146-K149 PolarHBondContact O-N 2.95Å; G147-K149 VanDerWaalsContact C-N 3.32Å; G147-K149 PolarHBondContact O-N 2.95Å; K149-A152 PolarHBondContact O-N 3.07Å; K149-M153 HydrophobicContact CG-CE 4.14Å; K149-M153 WeakPolarHBondContact O-CG 3.43Å; K149-M153 PolarHBondContact O-N 3.34Å |
| 150 | I | 88.4 | Confident | 82.5 | Confident | 88 Ų | 88 | 107.9 Ų | 107.9 | 45% | 0.451 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.4 | -43.5 | 176.1 | -67.3 | 165.5 | 0 | 0 | 0 | 110.7 | E146 G147 A152 M153 N154 | E146-I150 HydrophobicContact CG-CD1 4.23Å; E146-I150 VanDerWaalsContact O-CG1 3.31Å; E146-I150 WeakPolarHBondContact O-CG1 3.48Å; E146-I150 PolarHBondContact O-N 2.91Å; G147-I150 PolarHBondContact O-N 3.3Å; I150-A152 VanDerWaalsContact C-N 3.35Å; I150-A152 PolarHBondContact O-N 2.72Å; I150-M153 PolarHBondContact O-N 2.85Å; I150-N154 WeakPolarHBondContact O-CB 3.28Å; I150-N154 VanDerWaalsContact O-CG 3.3Å; I150-N154 PolarHBondContact O-N 2.86Å; I150-N154 PolarHBondContact O-ND2 2.77Å |
| 151 | Q | 88.7 | Confident | 81.5 | Confident | 118 Ų | 118 | 109.4 Ų | 109.4 | 55% | 0.551 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.4 | -40.9 | 176.4 | -71.3 | 177.7 | 27.7 | 0 | 0 | 112 | G147 L148 N154 R155 | G147-Q151 VanDerWaalsContact O-CG 3.3Å; G147-Q151 WeakPolarHBondContact O-CG 3.42Å; G147-Q151 PolarHBondContact O-N 3.34Å; L148-Q151 PolarHBondContact O-N 3.11Å; Q151-N154 PolarHBondContact O-N 3.08Å; Q151-R155 WeakPolarHBondContact O-CG 3.47Å; Q151-R155 PolarHBondContact O-N 2.85Å |
| 152 | A | 89.9 | Confident | 80.2 | Confident | 50 Ų | 50 | 113.8 Ų | 113.8 | 41% | 0.413 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.8 | -43.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L148 K149 I150 N154 R155 L156 | L148-A152 WeakPolarHBondContact O-CB 3.47Å; L148-A152 PolarHBondContact O-N 2.8Å; K149-A152 PolarHBondContact O-N 3.07Å; I150-A152 VanDerWaalsContact C-N 3.35Å; I150-A152 PolarHBondContact O-N 2.72Å; A152-N154 PolarHBondContact O-N 2.63Å; A152-R155 PolarHBondContact O-N 3.17Å; A152-L156 PolarHBondContact O-N 3.31Å; A152-L156 VanDerWaalsContact O-N 3.16Å |
| 153 | M | 87 | Confident | 78.7 | Confident | 98 Ų | 98 | 116 Ų | 116 | 48% | 0.483 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.6 | -41.3 | 175.4 | -73 | -177.4 | 176.8 | 0 | 0 | 112.2 | K149 I150 R155 L156 Q157 | K149-M153 HydrophobicContact CG-CE 4.14Å; K149-M153 WeakPolarHBondContact O-CG 3.43Å; K149-M153 PolarHBondContact O-N 3.34Å; I150-M153 PolarHBondContact O-N 2.85Å; M153-R155 PolarHBondContact O-N 3.21Å; M153-L156 PolarHBondContact O-N 2.82Å; M153-Q157 WeakPolarHBondContact O-CG 3.14Å; M153-Q157 PolarHBondContact O-N 3.23Å |
| 154 | N | 85.7 | Confident | 77.2 | Confident | 84 Ų | 84 | 119 Ų | 119 | 45% | 0.449 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.5 | -34.1 | 177.5 | -73.3 | -20.5 | 0 | 0 | 0 | 112.8 | I150 Q151 A152 R158 | I150-N154 WeakPolarHBondContact O-CB 3.28Å; I150-N154 VanDerWaalsContact O-CG 3.3Å; I150-N154 PolarHBondContact O-N 2.86Å; I150-N154 PolarHBondContact O-ND2 2.77Å; Q151-N154 PolarHBondContact O-N 3.08Å; A152-N154 PolarHBondContact O-N 2.63Å; N154-R158 PolarHBondContact O-N 3.03Å; N154-R158 VanDerWaalsContact O-N 3.14Å |
| 155 | R | 87.2 | Confident | 75.6 | Confident | 198 Ų | 198 | 121.5 Ų | 121.5 | 75% | 0.747 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.5 | -43.8 | 172.1 | -74.8 | -179.6 | -177 | -137.7 | 2.1 | 111.6 | Q151 A152 M153 R158 G159 | Q151-R155 WeakPolarHBondContact O-CG 3.47Å; Q151-R155 PolarHBondContact O-N 2.85Å; A152-R155 PolarHBondContact O-N 3.17Å; M153-R155 PolarHBondContact O-N 3.21Å; R155-R158 PolarHBondContact O-N 3.5Å; R155-G159 PolarHBondContact O-N 2.9Å |
| 156 | L | 79.1 | Confident | 73.7 | Confident | 132 Ų | 132 | 122.2 Ų | 122.2 | 69% | 0.691 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.1 | -39.6 | 178.1 | -72.7 | 159.9 | 0 | 0 | 0 | 112.4 | A152 M153 G159 K160 | A152-L156 PolarHBondContact O-N 3.31Å; A152-L156 VanDerWaalsContact O-N 3.16Å; M153-L156 PolarHBondContact O-N 2.82Å; L156-G159 PolarHBondContact O-N 3.27Å; L156-K160 PolarHBondContact O-N 2.67Å |
| 157 | Q | 74.2 | Confident | 71.5 | Confident | 131 Ų | 131 | 120.4 Ų | 120.4 | 61% | 0.612 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -70.1 | -35.4 | 178.9 | -70.8 | -175.3 | 12 | 0 | 0 | 113 | M153 G159 K160 K161 | M153-Q157 WeakPolarHBondContact O-CG 3.14Å; M153-Q157 PolarHBondContact O-N 3.23Å; Q157-G159 VanDerWaalsContact C-N 3.31Å; Q157-G159 PolarHBondContact O-N 2.96Å; Q157-K160 PolarHBondContact O-N 3.2Å; Q157-K161 PolarHBondContact O-N 2.66Å; Q157-K161 VanDerWaalsContact O-N 3.1Å |
| 158 | R | 67.6 | Low | 69.2 | Low | 205 Ų | 205 | 125.1 Ų | 125.1 | 77% | 0.774 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -63 | -37.1 | 173.6 | -80.8 | -176.7 | 164.5 | -169 | -4.1 | 112.4 | N154 R155 K160 K161 Q162 | N154-R158 PolarHBondContact O-N 3.03Å; N154-R158 VanDerWaalsContact O-N 3.14Å; R155-R158 PolarHBondContact O-N 3.5Å; R158-K160 VanDerWaalsContact C-N 3.34Å; R158-K160 PolarHBondContact O-N 3.25Å; R158-K161 PolarHBondContact O-N 2.65Å; R158-Q162 PolarHBondContact O-N 3.21Å |
| 159 | G | 61.4 | Low | 66.7 | Low | 44 Ų | 44 | 123.4 Ų | 123.4 | 45% | 0.454 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -64.4 | -35.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | R155 L156 Q157 | R155-G159 PolarHBondContact O-N 2.9Å; L156-G159 PolarHBondContact O-N 3.27Å; Q157-G159 VanDerWaalsContact C-N 3.31Å; Q157-G159 PolarHBondContact O-N 2.96Å |
| 160 | K | 60.8 | Low | 64.5 | Low | 153 Ų | 153 | 121.4 Ų | 121.4 | 67% | 0.665 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -75.7 | -32.6 | 178.3 | -102.7 | 177.9 | 173 | 178.5 | 0 | 113.8 | L156 Q157 R158 Q163 | L156-K160 PolarHBondContact O-N 2.67Å; Q157-K160 PolarHBondContact O-N 3.2Å; R158-K160 VanDerWaalsContact C-N 3.34Å; R158-K160 PolarHBondContact O-N 3.25Å; K160-Q163 PolarHBondContact O-N 2.98Å |
| 161 | K | 54.9 | Low | 62.6 | Low | 141 Ų | 141 | 126.1 Ų | 126.1 | 61% | 0.613 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -72.6 | -30.2 | -179.6 | -157.9 | 170.8 | 179.4 | -176.9 | 0 | 112.7 | Q157 R158 Q163 I164 | Q157-K161 PolarHBondContact O-N 2.66Å; Q157-K161 VanDerWaalsContact O-N 3.1Å; R158-K161 PolarHBondContact O-N 2.65Å; K161-Q163 PolarHBondContact O-N 2.94Å; K161-I164 PolarHBondContact O-N 3.47Å |
| 162 | Q | 52.4 | Low | 60.7 | Low | 157 Ų | 157 | 126.9 Ų | 126.9 | 73% | 0.734 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -68.7 | -19.1 | 172.5 | -82.3 | 179 | -3.3 | 0 | 0 | 113.9 | R158 | R158-Q162 PolarHBondContact O-N 3.21Å |
| 163 | Q | 51.6 | Low | 58.8 | Low | 161 Ų | 161 | 131.3 Ų | 131.3 | 75% | 0.752 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -86.6 | -16.1 | 174.4 | -95.5 | -176.3 | -4.1 | 0 | 0 | 114.2 | K160 K161 | K160-Q163 PolarHBondContact O-N 2.98Å; K161-Q163 PolarHBondContact O-N 2.94Å |
| 164 | I | 55 | Low | 56.7 | Low | 139 Ų | 139 | 130.3 Ų | 130.3 | 71% | 0.713 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -95.6 | -20.8 | -175.7 | -63.2 | 173.2 | 0 | 0 | 0 | 112.3 | K161 | K161-I164 PolarHBondContact O-N 3.47Å |
| 165 | E | 52.8 | Low | 54.6 | Low | 148 Ų | 148 | 133.4 Ų | 133.4 | 69% | 0.692 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -90.3 | -4.8 | 177.5 | -76.9 | 177.8 | 176.7 | 0 | 0 | 114.6 | ||
| 166 | N | 50.8 | Low | 52.8 | Low | 151 Ų | 151 | 128.9 Ų | 128.9 | 81% | 0.807 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -121.2 | 31.8 | -175.6 | -77.1 | -13.9 | 0 | 0 | 0 | 114.5 | ||
| 167 | G | 42.1 | Very low | 51.5 | Low | 65 Ų | 65 | 128.5 Ų | 128.5 | 67% | 0.67 | 73% | 0.732 | S | S | * | * | trans | -136.3 | 52.2 | -169.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 168 | S | 41.6 | Very low | 50 | Low | 125 Ų | 125 | 129.8 Ų | 129.8 | 87% | 0.874 | 74% | 0.738 | S | S | * | * | trans | -161.8 | 115.3 | 161.4 | 58 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 169 | G | 38.5 | Very low | 48.8 | Very low | 70 Ų | 70 | 126.2 Ų | 126.2 | 72% | 0.722 | 74% | 0.743 | S | S | * | * | trans | 103.8 | 98.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 170 | A | 45.4 | Very low | 47.9 | Very low | 92 Ų | 92 | 127.5 Ų | 127.5 | 76% | 0.76 | 75% | 0.745 | S | S | * | * | 48.8 | 114.9 | 59.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 171 | E | 47.5 | Very low | 47 | Very low | 187 Ų | 187 | 128 Ų | 128 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | cis | -161.6 | 167.3 | 22.7 | -58.9 | 178.5 | 141.8 | 0 | 0 | 107.7 | ||||
| 172 | D | 48.5 | Very low | 46.3 | Very low | 134 Ų | 134 | 124.9 Ų | 124.9 | 72% | 0.717 | 76% | 0.755 | S | S | * | * | trans | 94.3 | 116.3 | 143.8 | -146.7 | 35.8 | 0 | 0 | 0 | 121.1 | ||||
| 173 | N | 51.6 | Low | 45.8 | Very low | 143 Ų | 143 | 122.5 Ų | 122.5 | 77% | 0.765 | 76% | 0.756 | S | S | * | * | trans | 60.4 | 124.3 | 154.2 | -60.5 | -32.8 | 0 | 0 | 0 | 119.4 | ||||
| 174 | G | 43.2 | Very low | 45.4 | Very low | 76 Ų | 76 | 120.3 Ų | 120.3 | 78% | 0.784 | 75% | 0.753 | S | S | * | * | cis | 130.2 | 107.2 | 20 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 175 | D | 41.3 | Very low | 44.8 | Very low | 149 Ų | 149 | 121.4 Ų | 121.4 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | trans | -168 | 116.1 | 137.1 | -153.9 | -1 | 0 | 0 | 0 | 112.4 | ||||
| 176 | S | 49.6 | Very low | 44.1 | Very low | 103 Ų | 103 | 118.8 Ų | 118.8 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | trans | -7.7 | 141.7 | 148.6 | -22.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 177 | S | 50.5 | Low | 43.7 | Very low | 124 Ų | 124 | 118.5 Ų | 118.5 | 87% | 0.867 | 75% | 0.751 | S | S | * | * | -162.2 | 147.5 | 60.6 | 60.1 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 178 | H | 43.2 | Very low | 43.9 | Very low | 159 Ų | 159 | 123.3 Ų | 123.3 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | trans | -95.7 | 140.5 | -170.4 | 160.2 | -66 | 0 | 0 | 0 | 112.4 | S180 | H178-S180 PolarHBondContact CE1-OG 2.77Å; H178-S180 PolarHBondContact NE2-OG 2.71Å | ||
| 179 | C | 42.7 | Very low | 43.8 | Very low | 130 Ų | 130 | 125.7 Ų | 125.7 | 88% | 0.878 | 75% | 0.754 | S | S | * | * | trans | -154 | 134.1 | 138.6 | 51.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 180 | S | 42.8 | Very low | 43.9 | Very low | 71 Ų | 71 | 127 Ų | 127 | 50% | 0.497 | 76% | 0.758 | S | S | . | * | trans | -106.4 | 160.8 | -162.2 | -51.5 | 0 | 0 | 0 | 0 | 111.7 | H178 | H178-S180 PolarHBondContact CE1-OG 2.77Å; H178-S180 PolarHBondContact NE2-OG 2.71Å | ||
| 181 | N | 41.5 | Very low | 43.5 | Very low | 164 Ų | 164 | 126.1 Ų | 126.1 | 88% | 0.877 | 76% | 0.758 | S | S | * | * | trans | 57 | 151.9 | 144.1 | -79.8 | 1 | 0 | 0 | 0 | 118.4 | ||||
| 182 | A | 39.6 | Very low | 43.2 | Very low | 75 Ų | 75 | 123 Ų | 123 | 62% | 0.62 | 75% | 0.754 | S | S | * | * | cis | -172.9 | 156.3 | -11.3 | 0 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 183 | S | 42.1 | Very low | 42.8 | Very low | 107 Ų | 107 | 121.7 Ų | 121.7 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | trans | 40.7 | 131.9 | 145 | -40.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 184 | T | 42.3 | Very low | 42.3 | Very low | 114 Ų | 114 | 121.4 Ų | 121.4 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | cis | 169.4 | 158.7 | 40.9 | -3.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 185 | H | 42.8 | Very low | 42.1 | Very low | 163 Ų | 163 | 126.9 Ų | 126.9 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | trans | 81.4 | 106.1 | 151 | -70.5 | -60.3 | 0 | 0 | 0 | 123.5 | ||||
| 186 | S | 39.5 | Very low | 41.9 | Very low | 92 Ų | 92 | 131.7 Ų | 131.7 | 64% | 0.643 | 76% | 0.763 | S | S | * | * | 77.4 | 120.1 | 119.3 | -58.2 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 187 | N | 41.4 | Very low | 41.4 | Very low | 145 Ų | 145 | 133.2 Ų | 133.2 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | trans | 70.2 | 105.4 | 136 | -71.1 | -2.8 | 0 | 0 | 0 | 120.6 | ||||
| 188 | Q | 45.7 | Very low | 40.7 | Very low | 167 Ų | 167 | 137 Ų | 137 | 78% | 0.78 | 77% | 0.769 | S | S | * | * | 157.4 | 132.9 | 101.5 | -98.1 | 167.7 | 27.8 | 0 | 0 | 112.8 | |||||
| 189 | E | 41.2 | Very low | 40.6 | Very low | 175 Ų | 175 | 136.1 Ų | 136.1 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | 68.9 | 121.8 | 143.5 | -64.4 | -167.5 | 130.7 | 0 | 0 | 123.2 | ||||
| 190 | A | 40.6 | Very low | 40.5 | Very low | 97 Ų | 97 | 134.6 Ų | 134.6 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | trans | 79.7 | 98.9 | 134.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 191 | G | 36.4 | Very low | 40.5 | Very low | 74 Ų | 74 | 138.7 Ų | 138.7 | 76% | 0.763 | 78% | 0.782 | S | S | * | * | 85.2 | 158.6 | 113.8 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 192 | P | 40.9 | Very low | 40.4 | Very low | 122 Ų | 122 | 138 Ų | 138 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | -126.5 | 156.7 | -115.3 | 37.7 | -25.7 | 0 | 0 | 0 | 115.3 | |||||
| 193 | S | 39.4 | Very low | 40.7 | Very low | 106 Ų | 106 | 140.1 Ų | 140.1 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | trans | 148.9 | 117.8 | 140.2 | -76.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 194 | N | 41.7 | Very low | 40.5 | Very low | 137 Ų | 137 | 137.8 Ų | 137.8 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | 162.8 | 128.3 | 123.2 | -88.2 | -48.2 | 0 | 0 | 0 | 113.3 | |||||
| 195 | K | 39.8 | Very low | 40.8 | Very low | 190 Ų | 190 | 139.8 Ų | 139.8 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | trans | 60.8 | 108.8 | 136.4 | -65.1 | 177.1 | 179.6 | 176.3 | 0 | 121.2 | ||||
| 196 | R | 36.7 | Very low | 40.5 | Very low | 250 Ų | 250 | 140.8 Ų | 140.8 | 94% | 0.943 | 79% | 0.792 | S | S | * | * | trans | 18.5 | 118.2 | 133.8 | -82.8 | -179.4 | 169.5 | 176.9 | -3.2 | 119.3 | ||||
| 197 | T | 38.4 | Very low | 40.9 | Very low | 135 Ų | 135 | 143.7 Ų | 143.7 | 83% | 0.828 | 80% | 0.799 | S | S | * | * | -161.1 | 104.2 | 129.6 | -13.7 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 198 | K | 35.6 | Very low | 40.7 | Very low | 204 Ų | 204 | 143.2 Ų | 143.2 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | 49.2 | 98.1 | 108.8 | -161 | 176.6 | -179.5 | -178.7 | 0 | 115.6 | |||||
| 199 | T | 41 | Very low | 40.4 | Very low | 141 Ų | 141 | 142.2 Ų | 142.2 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | trans | -130 | 135.7 | 151.4 | 52.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 200 | S | 40.9 | Very low | 40.2 | Very low | 98 Ų | 98 | 140.4 Ų | 140.4 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | trans | -80.4 | 172.9 | -178.2 | 44.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 201 | D | 41.9 | Very low | 40 | Very low | 156 Ų | 156 | 142.1 Ų | 142.1 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | trans | 96.5 | 80.2 | 167.8 | -51.2 | -20.1 | 0 | 0 | 0 | 115.2 | ||||
| 202 | D | 41.3 | Very low | 39.8 | Very low | 151 Ų | 151 | 142.3 Ų | 142.3 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | trans | -141.1 | 114.1 | 146.2 | -168.1 | 27.9 | 0 | 0 | 0 | 109.8 | G204 | D202-G204 VanDerWaalsContact C-N 3.29Å; D202-G204 PolarHBondContact O-N 3.23Å | ||
| 203 | S | 45.1 | Very low | 39.5 | Very low | 118 Ų | 118 | 140.5 Ų | 140.5 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | -72.7 | 81.6 | 175.1 | 36.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 204 | G | 38.8 | Very low | 39.4 | Very low | 58 Ų | 58 | 143.6 Ų | 143.6 | 60% | 0.598 | 78% | 0.783 | S | S | * | * | trans | -80.6 | 112.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | D202 E206 | D202-G204 VanDerWaalsContact C-N 3.29Å; D202-G204 PolarHBondContact O-N 3.23Å; G204-E206 PolarHBondContact O-N 3.37Å | ||
| 205 | L | 48.6 | Very low | 39.1 | Very low | 156 Ų | 156 | 141.4 Ų | 141.4 | 82% | 0.817 | 78% | 0.784 | S | S | * | * | trans | -62.8 | 113.6 | 170.1 | -66.3 | 169.3 | 0 | 0 | 0 | 108.7 | L207 | L205-L207 VanDerWaalsContact C-N 3.33Å; L205-L207 PolarHBondContact O-N 3.37Å | ||
| 206 | E | 36.6 | Very low | 39.2 | Very low | 185 Ų | 185 | 138.9 Ų | 138.9 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | -67.5 | 94.9 | 166.8 | -56.7 | -156.3 | 145.9 | 0 | 0 | 107.6 | G204 D208 | G204-E206 PolarHBondContact O-N 3.37Å; E206-D208 PolarHBondContact O-N 3.11Å | ||
| 207 | L | 46.9 | Very low | 39.3 | Very low | 153 Ų | 153 | 132.8 Ų | 132.8 | 80% | 0.801 | 76% | 0.764 | S | S | * | * | trans | -70.6 | 105.7 | 156.2 | -95.8 | 85.7 | 0 | 0 | 0 | 105.9 | L205 N209 | L205-L207 VanDerWaalsContact C-N 3.33Å; L205-L207 PolarHBondContact O-N 3.37Å; L207-N209 PolarHBondContact O-N 3.03Å | ||
| 208 | D | 38.1 | Very low | 39.3 | Very low | 134 Ų | 134 | 132.2 Ų | 132.2 | 72% | 0.717 | 76% | 0.762 | S | S | * | * | trans | -43.4 | 109.3 | 162.4 | -85.7 | -39.5 | 0 | 0 | 0 | 108.6 | E206 N210 | E206-D208 PolarHBondContact O-N 3.11Å; D208-N210 PolarHBondContact O-N 3.16Å | ||
| 209 | N | 38 | Very low | 39.6 | Very low | 146 Ų | 146 | 127.5 Ų | 127.5 | 78% | 0.781 | 75% | 0.75 | S | S | * | * | trans | -75.1 | 55.5 | 172.8 | -164.1 | 16.5 | 0 | 0 | 0 | 108.8 | L207 N211 | L207-N209 PolarHBondContact O-N 3.03Å; N209-N211 PolarHBondContact O-N 2.8Å; N209-N211 VanDerWaalsContact O-N 3.11Å | ||
| 210 | N | 37.1 | Very low | 39.7 | Very low | 138 Ų | 138 | 126.1 Ų | 126.1 | 74% | 0.738 | 74% | 0.735 | S | S | * | * | trans | -80 | 66 | 155.6 | -72.6 | -33.9 | 0 | 0 | 0 | 106.5 | D208 A212 | D208-N210 PolarHBondContact O-N 3.16Å; N210-A212 PolarHBondContact O-N 3.08Å | ||
| 211 | N | 35.7 | Very low | 39.8 | Very low | 133 Ų | 133 | 128.3 Ų | 128.3 | 71% | 0.711 | 74% | 0.74 | S | S | * | * | trans | -69.1 | 75.2 | 151.9 | -155.1 | 24.8 | 0 | 0 | 0 | 104.9 | N209 A213 | N209-N211 PolarHBondContact O-N 2.8Å; N209-N211 VanDerWaalsContact O-N 3.11Å; N211-A213 PolarHBondContact O-N 3.34Å | ||
| 212 | A | 34.1 | Very low | 40.1 | Very low | 77 Ų | 77 | 122.7 Ų | 122.7 | 64% | 0.636 | 72% | 0.718 | S | S | * | * | trans | -49.5 | 105.1 | 151.9 | 0 | 0 | 0 | 0 | 0 | 102.8 | N210 M214 | N210-A212 PolarHBondContact O-N 3.08Å; A212-M214 VanDerWaalsContact C-N 3.34Å; A212-M214 PolarHBondContact O-N 3.21Å | ||
| 213 | A | 34.2 | Very low | 40.7 | Very low | 85 Ų | 85 | 116.2 Ų | 116.2 | 70% | 0.702 | 69% | 0.686 | S | S | * | * | trans | -38.9 | 113.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 104.3 | N211 A215 | N211-A213 PolarHBondContact O-N 3.34Å; A213-A215 PolarHBondContact O-N 3.47Å | ||
| 214 | M | 37.1 | Very low | 41.9 | Very low | 171 Ų | 171 | 110.8 Ų | 110.8 | 84% | 0.842 | 65% | 0.648 | S | S | * | * | trans | -56.8 | 90.5 | 165.4 | -80.2 | -100 | 168 | 0 | 0 | 102.8 | A212 I216 | A212-M214 VanDerWaalsContact C-N 3.34Å; A212-M214 PolarHBondContact O-N 3.21Å; M214-I216 PolarHBondContact O-N 3.38Å | ||
| 215 | A | 34.6 | Very low | 44 | Very low | 90 Ų | 90 | 111.9 Ų | 111.9 | 74% | 0.744 | 64% | 0.637 | S | S | * | * | trans | -60.6 | 88.6 | 158.5 | 0 | 0 | 0 | 0 | 0 | 101.5 | A213 D217 | A213-A215 PolarHBondContact O-N 3.47Å; A215-D217 PolarHBondContact O-N 3.26Å | ||
| 216 | I | 41.5 | Very low | 45.9 | Very low | 137 Ų | 137 | 105.2 Ų | 105.2 | 70% | 0.703 | 60% | 0.602 | S | S | * | * | trans | -60.2 | 95.9 | 163.2 | -62.7 | 173.3 | 0 | 0 | 0 | 101.8 | M214 P218 | M214-I216 PolarHBondContact O-N 3.38Å; I216-P218 VanDerWaalsContact O-N 3.16Å | ||
| 217 | D | 38.7 | Very low | 48.5 | Very low | 123 Ų | 123 | 101.7 Ų | 101.7 | 66% | 0.658 | 59% | 0.586 | S | S | * | * | trans | -50.4 | 121.9 | 176.5 | -151.3 | -21.4 | 0 | 0 | 0 | 106.2 | A215 V219 | A215-D217 PolarHBondContact O-N 3.26Å; D217-V219 PolarHBondContact O-N 3.02Å | ||
| 218 | P | 40.1 | Very low | 50.7 | Low | 122 Ų | 122 | 94.6 Ų | 94.6 | 79% | 0.792 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -71 | 9.9 | -171.3 | -11.7 | 25.8 | 0 | 0 | 0 | 113.3 | I216 M220 | I216-P218 VanDerWaalsContact O-N 3.16Å; P218-M220 VanDerWaalsContact C-N 3.34Å; P218-M220 PolarHBondContact O-N 3.16Å |
| 219 | V | 41.6 | Very low | 53.4 | Low | 105 Ų | 105 | 88.9 Ų | 88.9 | 64% | 0.636 | 52% | 0.518 | S | S | * | . | trans | -94.3 | 62.3 | -176.4 | -161.4 | 0 | 0 | 0 | 0 | 110.2 | D217 | D217-V219 PolarHBondContact O-N 3.02Š| ||
| 220 | M | 43.5 | Very low | 56.1 | Low | 112 Ų | 112 | 81.9 Ų | 81.9 | 55% | 0.552 | 48% | 0.481 | S | S | * | . | trans | -140.4 | 95.6 | 150 | -73 | -58.4 | 156 | 0 | 0 | 107.7 | P218 G222 E225 | P218-M220 VanDerWaalsContact C-N 3.34Å; P218-M220 PolarHBondContact O-N 3.16Å; M220-G222 PolarHBondContact O-N 2.97Å; M220-E225 HydrophobicContact CE-CG 3.74Å; M220-E225 WeakPolarHBondContact CE-OE1 3.39Å; M220-E225 HydrophobicContact SD-CG 3.93Å | ||
| 221 | D | 42.8 | Very low | 58.7 | Low | 145 Ų | 145 | 78.7 Ų | 78.7 | 78% | 0.775 | 46% | 0.459 | S | S | * | . | trans | -39.3 | 139.9 | 139.5 | -176.6 | 19.9 | 0 | 0 | 0 | 107.7 | A223 | D221-A223 PolarHBondContact O-N 3.18Š| ||
| 222 | G | 47.7 | Very low | 61.5 | Low | 37 Ų | 37 | 73.6 Ų | 73.6 | 38% | 0.381 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -63.7 | 25.6 | -164.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | R130 M220 | R130-G222 VanDerWaalsContact CZ-O 3.26Å; R130-G222 PolarHBondContact NH1-O 2.91Å; R130-G222 PolarHBondContact NH2-O 3.13Å; M220-G222 PolarHBondContact O-N 2.97Å |
| 223 | A | 54.3 | Low | 64.2 | Low | 15 Ų | 15 | 70.4 Ų | 70.4 | 12% | 0.124 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 121.7 | 164 | 0 | 0 | 0 | 0 | 0 | 111.5 | D221 S251 | D221-A223 PolarHBondContact O-N 3.18Å; A223-S251 WeakPolarHBondContact CB-OG 3.46Å |
| 224 | S | 69.1 | Low | 66.8 | Low | 4 Ų | 4 | 70.3 Ų | 70.3 | 3% | 0.028 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 138.1 | 159.4 | 33.1 | 0 | 0 | 0 | 0 | 109.1 | S251 G252 E312 | S224-S251 CarbonylContact O-C 3.6Å; S224-S251 WeakPolarHBondContact O-CA 3.38Å; S224-G252 PolarHBondContact O-N 3.36Å; S224-E312 PolarHBondContact OG-OE1 3.03Å |
| 225 | E | 83.6 | Confident | 69.1 | Low | 82 Ų | 82 | 67.6 Ų | 67.6 | 38% | 0.383 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 137.5 | 168.2 | -68.7 | -176.2 | 118.4 | 0 | 0 | 109.3 | M220 K249 T250 | M220-E225 HydrophobicContact CE-CG 3.74Å; M220-E225 WeakPolarHBondContact CE-OE1 3.39Å; M220-E225 HydrophobicContact SD-CG 3.93Å; E225-K249 VanDerWaalsContact OE1-CE 3.28Å; E225-K249 WeakPolarHBondContact OE1-CE 3.28Å; E225-K249 IonicContact OE1-NZ 2.75Å; E225-K249 PolarHBondContact OE1-NZ 2.95Å; E225-K249 WeakPolarHBondContact OE2-CE 2.95Å; E225-K249 IonicContact OE2-NZ 3.34Å; E225-K249 PolarHBondContact OE2-NZ 3.15Å; E225-T250 CarbonylContact C-O 3.52Å; E225-T250 WeakPolarHBondContact CA-O 3.48Å |
| 226 | I | 87.6 | Confident | 71.6 | Confident | 15 Ų | 15 | 66.8 Ų | 66.8 | 8% | 0.077 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 127.4 | 177.7 | -62.8 | -172.4 | 0 | 0 | 0 | 109.1 | K249 T250 G252 L311 E312 M325 | I226-K249 WeakPolarHBondContact O-CA 3.44Å; I226-T250 PolarHBondContact N-O 2.9Å; I226-T250 PolarHBondContact O-N 3.04Å; I226-G252 VanDerWaalsContact CD1-CA 3.49Å; I226-L311 VanDerWaalsContact CD1-C 3.41Å; I226-L311 HydrophobicContact CD1-CB 3.76Å; I226-E312 HydrophobicContact CD1-CB 4.33Å; I226-M325 HydrophobicContact CG2-CE 4.17Å |
| 227 | E | 92.1 | Very high | 73.5 | Confident | 112 Ų | 112 | 62.4 Ų | 62.4 | 52% | 0.523 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 133.8 | 170.8 | -63.4 | 180 | 175.7 | 0 | 0 | 109.7 | K249 P324 M325 | E227-K249 HydrophobicContact CG-CG 4.17Å; E227-P324 HydrophobicContact CB-CB 4.22Å; E227-P324 HydrophobicContact CB-CG 4.4Å; E227-P324 CarbonylContact O-C 3.58Å; E227-P324 WeakPolarHBondContact O-CA 3.44Å; E227-M325 PolarHBondContact O-N 3.23Å |
| 228 | L | 93.5 | Very high | 75 | Confident | 4 Ų | 4 | 65.1 Ų | 65.1 | 2% | 0.021 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 148.8 | -178.8 | 67.4 | 87.5 | 0 | 0 | 0 | 112.7 | F230 I248 T250 L259 L311 M325 L327 | L228-F230 HydrophobicContact CD1-CB 3.83Å; L228-F230 HydrophobicContact CD1-CG 4.29Å; L228-I248 HydrophobicContact CD1-CB 3.69Å; L228-I248 HydrophobicContact CD1-CD1 3.88Å; L228-I248 HydrophobicContact CD1-CG1 4.1Å; L228-I248 HydrophobicContact CG-CB 3.92Å; L228-I248 PolarHBondContact N-O 3.15Å; L228-I248 PolarHBondContact O-N 3.28Å; L228-T250 HydrophobicContact CD2-CG2 4.22Å; L228-L259 HydrophobicContact CD2-CD1 3.89Å; L228-L259 HydrophobicContact CD2-CD2 3.91Å; L228-L311 HydrophobicContact CD2-CD1 3.97Å; L228-M325 CarbonylContact C-O 3.47Å; L228-M325 WeakPolarHBondContact CA-O 3.33Å; L228-M325 HydrophobicContact CB-CB 4.31Å; L228-M325 VanDerWaalsContact CB-O 3.32Å; L228-M325 WeakPolarHBondContact CB-O 3.39Å; L228-L327 HydrophobicContact CD2-CD1 4.46Å |
| 229 | V | 94.5 | Very high | 76.3 | Confident | 13 Ų | 13 | 69.6 Ų | 69.6 | 8% | 0.079 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 112.8 | 174.4 | -175.4 | 0 | 0 | 0 | 0 | 107.1 | R231 T245 Y247 P324 M325 E326 L327 | V229-R231 HydrophobicContact CG1-CG 4.1Å; V229-T245 HydrophobicContact CG1-CG2 3.6Å; V229-Y247 HydrophobicContact CG1-CD1 4.39Å; V229-Y247 HydrophobicContact CG1-CE1 4.04Å; V229-Y247 HydrophobicContact CG2-CD1 4.05Å; V229-Y247 HydrophobicContact CG2-CE1 4.1Å; V229-P324 HydrophobicContact CG2-CB 4.04Å; V229-M325 PolarHBondContact N-O 3.46Å; V229-E326 HydrophobicContact CB-CG 4.37Å; V229-E326 WeakPolarHBondContact O-CA 3.4Å; V229-L327 PolarHBondContact O-N 2.95Å |
| 230 | F | 93.9 | Very high | 77.4 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 111.3 | -172.8 | -152 | -170.5 | 0 | 0 | 0 | 110.4 | L228 T245 R246 I248 L259 L263 I293 L327 Y329 | L228-F230 HydrophobicContact CD1-CB 3.83Å; L228-F230 HydrophobicContact CD1-CG 4.29Å; F230-T245 WeakPolarHBondContact O-CA 3.43Å; F230-R246 HydrophobicContact CB-CB 4.22Å; F230-R246 PolarHBondContact N-O 3.16Å; F230-R246 PolarHBondContact O-N 3.41Å; F230-I248 HydrophobicContact CB-CD1 4.24Å; F230-I248 HydrophobicContact CD1-CD1 3.86Å; F230-L259 HydrophobicContact CE1-CB 4.36Å; F230-L259 HydrophobicContact CZ-CB 4.37Å; F230-L263 HydrophobicContact CE1-CB 4.12Å; F230-L263 HydrophobicContact CE1-CD2 4.22Å; F230-L263 HydrophobicContact CZ-CD2 4.32Å; F230-I293 HydrophobicContact CE2-CD1 4.01Å; F230-I293 HydrophobicContact CE2-CG2 3.99Å; F230-I293 HydrophobicContact CZ-CD1 3.53Å; F230-I293 HydrophobicContact CZ-CG1 4.32Å; F230-I293 HydrophobicContact CZ-CG2 4.34Å; F230-L327 CarbonylContact C-O 3.6Å; F230-L327 WeakPolarHBondContact CA-O 3.2Å; F230-L327 HydrophobicContact CD2-CB 3.71Å; F230-L327 HydrophobicContact CE2-CB 3.96Å; F230-Y329 HydrophobicContact CD1-CD1 4.29Å; F230-Y329 AromaticContact CD2-CD1 3.66Å; F230-Y329 HydrophobicContact CD2-CD1 3.66Å; F230-Y329 HydrophobicContact CD2-CE1 4.46Å; F230-Y329 HydrophobicContact CE1-CD1 4.37Å; F230-Y329 AromaticContact CE2-CD1 3.74Å; F230-Y329 HydrophobicContact CE2-CD1 3.74Å; F230-Y329 HydrophobicContact CE2-CG 4.24Å; F230-Y329 AromaticContact CG-CD1 3.96Å; F230-Y329 HydrophobicContact CG-CD1 3.96Å; F230-Y329 HydrophobicContact CG-CE1 4.38Å; F230-Y329 HydrophobicContact CZ-CD1 4.12Å; F230-Y329 HydrophobicContact CZ-CG 4.45Å |
| 231 | R | 93.6 | Very high | 77.9 | Confident | 70 Ų | 70 | 71.8 Ų | 71.8 | 26% | 0.264 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 151.8 | -171.9 | -61.5 | -174 | -172.3 | 135.1 | 6.9 | 112.5 | V229 T245 E326 L327 Y328 Y329 | V229-R231 HydrophobicContact CG1-CG 4.1Å; R231-T245 HydrophobicContact CG-CG2 3.86Å; R231-E326 IonicContact CZ-OE1 3.39Å; R231-E326 IonicContact CZ-OE2 2.7Å; R231-E326 IonicContact NH1-OE1 2.77Å; R231-E326 PolarHBondContact NH1-OE1 3.09Å; R231-E326 IonicContact NH1-OE2 3.67Å; R231-E326 PolarHBondContact NH1-OE2 3.17Å; R231-E326 VanDerWaalsContact NH2-CD 3.28Å; R231-E326 IonicContact NH2-OE1 3.47Å; R231-E326 PolarHBondContact NH2-OE1 3.48Å; R231-E326 IonicContact NH2-OE2 3.58Å; R231-L327 PolarHBondContact N-O 3.16Å; R231-Y328 HydrophobicContact CB-CD1 3.82Å; R231-Y328 HydrophobicContact CB-CE1 3.89Å; R231-Y328 PolarHBondContact NH1-OH 2.84Å; R231-Y328 VanDerWaalsContact NH1-OH 3.12Å; R231-Y328 CarbonylContact O-C 3.49Å; R231-Y328 WeakPolarHBondContact O-CA 3.17Å; R231-Y329 WeakPolarHBondContact O-CD1 3.12Å; R231-Y329 WeakPolarHBondContact O-CE1 3.34Å; R231-Y329 PolarHBondContact O-N 3.37Å |
| 232 | P | 92.7 | Very high | 78.8 | Confident | 27 Ų | 27 | 68.8 Ų | 68.8 | 18% | 0.175 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.7 | 140.7 | 164.2 | -25.3 | 35.9 | 0 | 0 | 0 | 111.7 | M237 A243 | P232-M237 VanDerWaalsContact CA-SD 3.54Å; P232-M237 HydrophobicContact CB-CB 4.33Å; P232-M237 HydrophobicContact CB-CE 4.21Å; P232-M237 HydrophobicContact CB-CG 4.37Å; P232-M237 HydrophobicContact CB-SD 3.49Å; P232-M237 WeakPolarHBondContact CB-SD 3.4Å; P232-M237 HydrophobicContact CG-SD 4.42Å; P232-A243 HydrophobicContact CB-CB 4.07Å; P232-A243 HydrophobicContact CG-CB 3.51Å; P232-A243 WeakPolarHBondContact CG-O 3.37Å |
| 233 | H | 92 | Very high | 79.9 | Confident | 10 Ų | 10 | 68.4 Ų | 68.4 | 5% | 0.046 | 36% | 0.36 | C | S | . | . | trans | -66 | 125.5 | 174.8 | -171.1 | -76.2 | 0 | 0 | 0 | 110.5 | T235 L236 M237 Y294 F302 Y329 A330 | H233-T235 PolarHBondContact CE1-OG1 3.18Å; H233-T235 PolarHBondContact ND1-N 2.91Å; H233-T235 PolarHBondContact ND1-OG1 3.35Å; H233-T235 PolarHBondContact O-N 3.29Å; H233-L236 HydrophobicContact CB-CB 4.03Å; H233-L236 WeakPolarHBondContact ND1-CG 3.44Å; H233-L236 PolarHBondContact ND1-N 3.4Å; H233-L236 PolarHBondContact O-N 3.17Å; H233-M237 PolarHBondContact O-N 3.49Å; H233-Y294 AromaticContact CD2-CD2 3.81Å; H233-Y294 AromaticContact CD2-CG 3.81Å; H233-F302 AromaticContact CD2-CD1 3.95Å; H233-F302 AromaticContact NE2-CD1 3.73Å; H233-F302 AromaticContact NE2-CD2 3.88Å; H233-F302 AromaticContact NE2-CG 3.42Å; H233-F302 WeakPolarHBondContact NE2-CG 3.39Å; H233-Y329 VanDerWaalsContact CB-O 3.32Å; H233-Y329 WeakPolarHBondContact CB-O 3.42Å; H233-Y329 PolarHBondContact N-O 3.19Å; H233-A330 HydrophobicContact CB-CB 3.98Å | ||
| 234 | P | 87.8 | Confident | 81.2 | Confident | 82 Ų | 82 | 73.4 Ų | 73.4 | 53% | 0.532 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -22 | -164.8 | 24.2 | -35.4 | 0 | 0 | 0 | 115.1 | F302 | P234-F302 HydrophobicContact CG-CE1 4.25Å; P234-F302 HydrophobicContact CG-CE2 3.92Å; P234-F302 HydrophobicContact CG-CZ 3.55Å |
| 235 | T | 86.5 | Confident | 82.2 | Confident | 114 Ų | 114 | 75.9 Ų | 75.9 | 70% | 0.699 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.8 | -13.3 | -178.8 | 59.2 | 0 | 0 | 0 | 0 | 114.7 | H233 | H233-T235 PolarHBondContact CE1-OG1 3.18Å; H233-T235 PolarHBondContact ND1-N 2.91Å; H233-T235 PolarHBondContact ND1-OG1 3.35Å; H233-T235 PolarHBondContact O-N 3.29Å |
| 236 | L | 86.4 | Confident | 82.6 | Confident | 73 Ų | 73 | 72.9 Ų | 72.9 | 38% | 0.382 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -14.6 | -175.6 | -68.5 | 175.8 | 0 | 0 | 0 | 112.4 | H233 Y294 A330 | H233-L236 HydrophobicContact CB-CB 4.03Å; H233-L236 WeakPolarHBondContact ND1-CG 3.44Å; H233-L236 PolarHBondContact ND1-N 3.4Å; H233-L236 PolarHBondContact O-N 3.17Å; L236-Y294 HydrophobicContact CD1-CE1 4.31Å; L236-Y294 HydrophobicContact CD1-CE2 4.29Å; L236-A330 HydrophobicContact CB-CB 3.77Å; L236-A330 HydrophobicContact CD1-CB 4.03Å |
| 237 | M | 81.7 | Confident | 82.9 | Confident | 46 Ų | 46 | 81 Ų | 81 | 23% | 0.227 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -102.9 | 138.1 | 171.6 | -64.8 | -165.4 | 60.7 | 0 | 0 | 109.2 | P232 H233 A243 Y329 A330 | P232-M237 VanDerWaalsContact CA-SD 3.54Å; P232-M237 HydrophobicContact CB-CB 4.33Å; P232-M237 HydrophobicContact CB-CE 4.21Å; P232-M237 HydrophobicContact CB-CG 4.37Å; P232-M237 HydrophobicContact CB-SD 3.49Å; P232-M237 WeakPolarHBondContact CB-SD 3.4Å; P232-M237 HydrophobicContact CG-SD 4.42Å; H233-M237 PolarHBondContact O-N 3.49Å; M237-A243 HydrophobicContact CE-CB 3.96Å; M237-Y329 HydrophobicContact CE-CD2 4.45Å; M237-Y329 HydrophobicContact CE-CE2 3.87Å; M237-Y329 HydrophobicContact SD-CD2 3.68Å; M237-Y329 HydrophobicContact SD-CE2 3.54Å; M237-Y329 VanDerWaalsContact SD-CE2 3.54Å; M237-A330 HydrophobicContact CG-CB 4.49Å |
| 238 | E | 70.3 | Confident | 82.9 | Confident | 179 Ų | 179 | 76.7 Ų | 76.7 | 84% | 0.836 | 39% | 0.392 | S | S | * | . | trans | -64.3 | 151.5 | 167.4 | -63.3 | -166.7 | 164.9 | 0 | 0 | 109 | D240 | E238-D240 PolarHBondContact O-N 3.43Š| ||
| 239 | K | 66.8 | Low | 82.9 | Confident | 217 Ų | 217 | 81.9 Ų | 81.9 | 94% | 0.943 | 42% | 0.415 | S | S | * | . | trans | -71.5 | 70.3 | 174 | -70.2 | -178.6 | 177.7 | 176.7 | 0 | 108.9 | ||||
| 240 | D | 64.1 | Low | 82.7 | Confident | 98 Ų | 98 | 83.3 Ų | 83.3 | 52% | 0.524 | 42% | 0.424 | S | S | . | . | trans | -91 | 129.3 | 171.1 | -167.1 | -25.6 | 0 | 0 | 0 | 107.9 | E238 S242 A243 | E238-D240 PolarHBondContact O-N 3.43Å; D240-S242 PolarHBondContact O-N 3.32Å; D240-S242 WeakPolarHBondContact OD1-CB 3.45Å; D240-S242 PolarHBondContact OD1-N 3.29Å; D240-S242 PolarHBondContact OD1-OG 3.01Å; D240-A243 WeakPolarHBondContact O-CB 3.5Å; D240-A243 PolarHBondContact O-N 3.1Å | ||
| 241 | D | 54.5 | Low | 82.5 | Confident | 165 Ų | 165 | 85.2 Ų | 85.2 | 88% | 0.882 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -16 | 177.3 | -74.6 | -34.3 | 0 | 0 | 0 | 112.4 | A243 | D241-A243 VanDerWaalsContact C-N 3.29Å; D241-A243 PolarHBondContact O-N 3.15Å |
| 242 | S | 61.7 | Low | 82.3 | Confident | 82 Ų | 82 | 81.9 Ų | 81.9 | 57% | 0.573 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -16.4 | 177 | -49.7 | 0 | 0 | 0 | 0 | 113.7 | D240 Q244 | D240-S242 PolarHBondContact O-N 3.32Å; D240-S242 WeakPolarHBondContact OD1-CB 3.45Å; D240-S242 PolarHBondContact OD1-N 3.29Å; D240-S242 PolarHBondContact OD1-OG 3.01Å; S242-Q244 PolarHBondContact O-N 3.46Å |
| 243 | A | 72.1 | Confident | 82.1 | Confident | 29 Ų | 29 | 84.8 Ų | 84.8 | 24% | 0.24 | 44% | 0.438 | C | S | . | . | trans | -84.1 | 82 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | P232 M237 D240 D241 | P232-A243 HydrophobicContact CB-CB 4.07Å; P232-A243 HydrophobicContact CG-CB 3.51Å; P232-A243 WeakPolarHBondContact CG-O 3.37Å; M237-A243 HydrophobicContact CE-CB 3.96Å; D240-A243 WeakPolarHBondContact O-CB 3.5Å; D240-A243 PolarHBondContact O-N 3.1Å; D241-A243 VanDerWaalsContact C-N 3.29Å; D241-A243 PolarHBondContact O-N 3.15Å | ||
| 244 | Q | 80.9 | Confident | 82.1 | Confident | 119 Ų | 119 | 85 Ų | 85 | 56% | 0.556 | 44% | 0.442 | S | S | * | . | trans | -81.4 | 145.1 | -177.6 | -64.7 | -177.1 | 0.4 | 0 | 0 | 113.3 | S242 Y329 | S242-Q244 PolarHBondContact O-N 3.46Å; Q244-Y329 PolarHBondContact O-OH 2.85Å | ||
| 245 | T | 90.3 | Very high | 82.5 | Confident | 56 Ų | 56 | 82.5 Ų | 82.5 | 34% | 0.344 | 43% | 0.425 | S | S | . | . | trans | -72.1 | 132 | 165.8 | -65.8 | 0 | 0 | 0 | 0 | 109.4 | V229 F230 R231 Y247 | V229-T245 HydrophobicContact CG1-CG2 3.6Å; F230-T245 WeakPolarHBondContact O-CA 3.43Å; R231-T245 HydrophobicContact CG-CG2 3.86Å; T245-Y247 HydrophobicContact CG2-CE2 4.18Å | ||
| 246 | R | 91.4 | Very high | 82.9 | Confident | 20 Ų | 20 | 77.2 Ų | 77.2 | 8% | 0.075 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 137.6 | -177.1 | -51.9 | 178.1 | 178.5 | -79.5 | 3.6 | 110.2 | F230 I248 R266 E270 | F230-R246 HydrophobicContact CB-CB 4.22Å; F230-R246 PolarHBondContact N-O 3.16Å; F230-R246 PolarHBondContact O-N 3.41Å; R246-I248 HydrophobicContact CB-CD1 4.26Å; R246-I248 HydrophobicContact CB-CG1 4.3Å; R246-R266 VanDerWaalsContact NH1-CG 3.35Å; R246-E270 IonicContact CZ-OE1 3.49Å; R246-E270 IonicContact CZ-OE2 3.57Å; R246-E270 IonicContact NH1-OE1 2.69Å; R246-E270 PolarHBondContact NH1-OE1 3.22Å; R246-E270 IonicContact NH1-OE2 3.53Å; R246-E270 IonicContact NH2-OE1 2.66Å; R246-E270 PolarHBondContact NH2-OE1 2.81Å; R246-E270 IonicContact NH2-OE2 3.74Å; R246-E270 PolarHBondContact NH2-OE2 3.05Å |
| 247 | Y | 94.1 | Very high | 83.3 | Confident | 184 Ų | 184 | 76.8 Ų | 76.8 | 72% | 0.722 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 120.5 | 175.1 | -58.1 | -87.5 | 0 | 0 | 0 | 108 | V229 T245 | V229-Y247 HydrophobicContact CG1-CD1 4.39Å; V229-Y247 HydrophobicContact CG1-CE1 4.04Å; V229-Y247 HydrophobicContact CG2-CD1 4.05Å; V229-Y247 HydrophobicContact CG2-CE1 4.1Å; T245-Y247 HydrophobicContact CG2-CE2 4.18Å |
| 248 | I | 93.3 | Very high | 83.9 | Confident | 23 Ų | 23 | 80 Ų | 80 | 12% | 0.118 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 138.9 | -169.8 | -54.6 | 171 | 0 | 0 | 0 | 108.9 | L228 F230 R246 Y262 | L228-I248 HydrophobicContact CD1-CB 3.69Å; L228-I248 HydrophobicContact CD1-CD1 3.88Å; L228-I248 HydrophobicContact CD1-CG1 4.1Å; L228-I248 HydrophobicContact CG-CB 3.92Å; L228-I248 PolarHBondContact N-O 3.15Å; L228-I248 PolarHBondContact O-N 3.28Å; F230-I248 HydrophobicContact CB-CD1 4.24Å; F230-I248 HydrophobicContact CD1-CD1 3.86Å; R246-I248 HydrophobicContact CB-CD1 4.26Å; R246-I248 HydrophobicContact CB-CG1 4.3Å; I248-Y262 HydrophobicContact CD1-CD1 3.84Å; I248-Y262 HydrophobicContact CD1-CE1 3.25Å; I248-Y262 HydrophobicContact CG1-CE1 4.17Å |
| 249 | K | 91.9 | Very high | 85 | Confident | 113 Ų | 113 | 71.8 Ų | 71.8 | 49% | 0.491 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 130.3 | 168.6 | -166.8 | -177.3 | -171 | -150.4 | 0 | 108.1 | E225 I226 E227 | E225-K249 VanDerWaalsContact OE1-CE 3.28Å; E225-K249 WeakPolarHBondContact OE1-CE 3.28Å; E225-K249 IonicContact OE1-NZ 2.75Å; E225-K249 PolarHBondContact OE1-NZ 2.95Å; E225-K249 WeakPolarHBondContact OE2-CE 2.95Å; E225-K249 IonicContact OE2-NZ 3.34Å; E225-K249 PolarHBondContact OE2-NZ 3.15Å; I226-K249 WeakPolarHBondContact O-CA 3.44Å; E227-K249 HydrophobicContact CG-CG 4.17Å |
| 250 | T | 91.5 | Very high | 86.3 | Confident | 43 Ų | 43 | 61.6 Ų | 61.6 | 26% | 0.264 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 169.7 | -177.4 | -175 | 0 | 0 | 0 | 0 | 111.1 | E225 I226 L228 A254 L311 | E225-T250 CarbonylContact C-O 3.52Å; E225-T250 WeakPolarHBondContact CA-O 3.48Å; I226-T250 PolarHBondContact N-O 2.9Å; I226-T250 PolarHBondContact O-N 3.04Å; L228-T250 HydrophobicContact CD2-CG2 4.22Å; T250-A254 HydrophobicContact CG2-CB 4.45Å; T250-L311 HydrophobicContact CG2-CD1 3.42Å; T250-L311 VanDerWaalsContact CG2-CD1 3.42Å |
| 251 | S | 89.9 | Confident | 87.6 | Confident | 40 Ų | 40 | 61.8 Ų | 61.8 | 28% | 0.28 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 140 | 169.4 | 165.3 | 0 | 0 | 0 | 0 | 111.6 | A223 S224 N253 A254 | A223-S251 WeakPolarHBondContact CB-OG 3.46Å; S224-S251 CarbonylContact O-C 3.6Å; S224-S251 WeakPolarHBondContact O-CA 3.38Å; S251-N253 PolarHBondContact O-N 3.17Å; S251-N253 WeakPolarHBondContact OG-CB 3.45Å; S251-N253 PolarHBondContact OG-N 3.22Å; S251-N253 VanDerWaalsContact OG-N 3.13Å; S251-A254 WeakPolarHBondContact O-CB 3.4Å; S251-A254 PolarHBondContact O-N 2.87Å |
| 252 | G | 88.2 | Confident | 89.4 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -17.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | S224 I226 A254 S310 L311 E312 | S224-G252 PolarHBondContact O-N 3.36Å; I226-G252 VanDerWaalsContact CD1-CA 3.49Å; G252-A254 VanDerWaalsContact C-N 3.28Å; G252-S310 WeakPolarHBondContact O-CB 3.36Å; G252-L311 PolarHBondContact O-N 3.24Å; G252-E312 PolarHBondContact O-N 3.44Å |
| 253 | N | 89.1 | Confident | 90.8 | Very high | 88 Ų | 88 | 53.3 Ų | 53.3 | 47% | 0.471 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -14.2 | 171.3 | -61.1 | -1.9 | 0 | 0 | 0 | 112.1 | S251 | S251-N253 PolarHBondContact O-N 3.17Å; S251-N253 WeakPolarHBondContact OG-CB 3.45Å; S251-N253 PolarHBondContact OG-N 3.22Å; S251-N253 VanDerWaalsContact OG-N 3.13Å |
| 254 | A | 92.8 | Very high | 91.7 | Very high | 15 Ų | 15 | 52.2 Ų | 52.2 | 12% | 0.124 | 25% | 0.253 | C | S | . | . | trans | -58.9 | 147.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | T250 S251 G252 H258 S310 L311 | T250-A254 HydrophobicContact CG2-CB 4.45Å; S251-A254 WeakPolarHBondContact O-CB 3.4Å; S251-A254 PolarHBondContact O-N 2.87Å; G252-A254 VanDerWaalsContact C-N 3.28Å; A254-H258 HydrophobicContact CB-CB 4.45Å; A254-S310 CarbonylContact O-C 3.57Å; A254-S310 VanDerWaalsContact O-CA 3.31Å; A254-S310 WeakPolarHBondContact O-CA 3.33Å; A254-L311 HydrophobicContact CB-CD1 4.1Å; A254-L311 HydrophobicContact CB-CG 4.45Å; A254-L311 WeakPolarHBondContact O-CG 3.47Å; A254-L311 PolarHBondContact O-N 2.97Å | ||
| 255 | T | 95.1 | Very high | 92.1 | Very high | 28 Ų | 28 | 48.8 Ų | 48.8 | 17% | 0.172 | 24% | 0.24 | C | C | . | . | B | Isolated β-bridge | trans | -101.7 | 167.3 | 179.2 | 73.8 | 0 | 0 | 0 | 0 | 111.6 | D257 H258 L259 G307 F309 | T255-D257 PolarHBondContact O-N 3.32Å; T255-D257 PolarHBondContact OG1-N 3.36Å; T255-H258 PolarHBondContact N-ND1 3.33Å; T255-H258 WeakPolarHBondContact O-CB 2.93Å; T255-H258 PolarHBondContact O-N 3.34Å; T255-H258 PolarHBondContact OG1-N 2.99Å; T255-H258 PolarHBondContact OG1-ND1 3.48Å; T255-L259 PolarHBondContact O-N 3.04Å; T255-G307 WeakPolarHBondContact CB-O 3.36Å; T255-G307 PolarHBondContact OG1-O 3.35Å; T255-F309 CarbonylContact C-O 3.5Å; T255-F309 WeakPolarHBondContact CA-O 3.28Å; T255-F309 WeakPolarHBondContact CB-O 3.44Å |
| 256 | V | 95 | Very high | 92 | Very high | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.018 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.1 | -36.3 | 173.6 | 175.7 | 0 | 0 | 0 | 0 | 111.4 | H258 L259 S260 I293 L305 N306 G307 F309 V314 | V256-H258 VanDerWaalsContact C-N 3.3Å; V256-H258 PolarHBondContact O-N 3.33Å; V256-L259 WeakPolarHBondContact O-CB 3.33Å; V256-L259 PolarHBondContact O-N 3.33Å; V256-L259 VanDerWaalsContact O-N 3.1Å; V256-S260 PolarHBondContact O-N 3.23Å; V256-I293 HydrophobicContact CG1-CB 3.61Å; V256-I293 HydrophobicContact CG1-CG1 3.65Å; V256-I293 HydrophobicContact CG1-CG2 4.19Å; V256-L305 HydrophobicContact CG1-CB 4.02Å; V256-L305 HydrophobicContact CG2-CB 3.94Å; V256-L305 HydrophobicContact CG2-CD1 4.12Å; V256-N306 WeakPolarHBondContact CB-O 3.42Å; V256-G307 PolarHBondContact N-O 2.81Å; V256-F309 HydrophobicContact CG2-CB 4.39Å; V256-F309 PolarHBondContact N-O 3.47Å; V256-V314 HydrophobicContact CG2-CG2 3.98Å |
| 257 | D | 94.5 | Very high | 91.8 | Very high | 64 Ų | 64 | 51.3 Ų | 51.3 | 34% | 0.342 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.3 | -37.8 | 173.5 | -74.3 | -29.1 | 0 | 0 | 0 | 112.4 | T255 L259 S260 K261 E288 G307 | T255-D257 PolarHBondContact O-N 3.32Å; T255-D257 PolarHBondContact OG1-N 3.36Å; D257-L259 VanDerWaalsContact C-N 3.31Å; D257-L259 PolarHBondContact O-N 3.45Å; D257-S260 PolarHBondContact O-N 3.31Å; D257-K261 WeakPolarHBondContact O-CB 3.39Å; D257-K261 PolarHBondContact O-N 2.83Å; D257-E288 HydrophobicContact CB-CB 3.86Å; D257-E288 HydrophobicContact CB-CG 4.2Å; D257-E288 WeakPolarHBondContact O-CB 3.38Å; D257-G307 VanDerWaalsContact CG-C 3.44Å; D257-G307 PolarHBondContact N-O 3.09Å; D257-G307 WeakPolarHBondContact OD1-CA 3.43Å; D257-G307 WeakPolarHBondContact OD2-CA 3.38Å |
| 258 | H | 94.5 | Very high | 91.4 | Very high | 115 Ų | 115 | 42.9 Ų | 42.9 | 53% | 0.532 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.8 | -39.1 | 174.2 | -65.6 | 98 | 0 | 0 | 0 | 111.5 | A254 T255 V256 Y262 | A254-H258 HydrophobicContact CB-CB 4.45Å; T255-H258 PolarHBondContact N-ND1 3.33Å; T255-H258 WeakPolarHBondContact O-CB 2.93Å; T255-H258 PolarHBondContact O-N 3.34Å; T255-H258 PolarHBondContact OG1-N 2.99Å; T255-H258 PolarHBondContact OG1-ND1 3.48Å; V256-H258 VanDerWaalsContact C-N 3.3Å; V256-H258 PolarHBondContact O-N 3.33Å; H258-Y262 WeakPolarHBondContact O-CB 3.43Å; H258-Y262 PolarHBondContact O-N 3.44Å |
| 259 | L | 93.8 | Very high | 90.9 | Very high | 6 Ų | 6 | 44.6 Ų | 44.6 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.7 | -40.8 | 175.6 | -69 | -174.7 | 0 | 0 | 0 | 112.6 | L228 F230 T255 V256 D257 Y262 L263 L311 L327 | L228-L259 HydrophobicContact CD2-CD1 3.89Å; L228-L259 HydrophobicContact CD2-CD2 3.91Å; F230-L259 HydrophobicContact CE1-CB 4.36Å; F230-L259 HydrophobicContact CZ-CB 4.37Å; T255-L259 PolarHBondContact O-N 3.04Å; V256-L259 WeakPolarHBondContact O-CB 3.33Å; V256-L259 PolarHBondContact O-N 3.33Å; V256-L259 VanDerWaalsContact O-N 3.1Å; D257-L259 VanDerWaalsContact C-N 3.31Å; D257-L259 PolarHBondContact O-N 3.45Å; L259-Y262 WeakPolarHBondContact O-CB 3.26Å; L259-Y262 PolarHBondContact O-N 3.37Å; L259-L263 WeakPolarHBondContact O-CB 3.21Å; L259-L263 PolarHBondContact O-N 3.13Å; L259-L311 HydrophobicContact CD1-CD1 4.02Å; L259-L311 HydrophobicContact CD1-CD2 3.42Å; L259-L311 VanDerWaalsContact CD1-CD2 3.42Å; L259-L311 HydrophobicContact CD1-CG 4.33Å; L259-L311 HydrophobicContact CD2-CD1 4.21Å; L259-L311 HydrophobicContact CG-CD1 4.18Å; L259-L311 HydrophobicContact CG-CD2 4.08Å; L259-L327 HydrophobicContact CD1-CD1 3.43Å; L259-L327 VanDerWaalsContact CD1-CD1 3.43Å |
| 260 | S | 93 | Very high | 90.6 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.014 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.9 | -48.8 | 175.9 | 179.2 | 0 | 0 | 0 | 0 | 111.2 | V256 D257 Y262 L263 A264 E288 Y291 | V256-S260 PolarHBondContact O-N 3.23Å; D257-S260 PolarHBondContact O-N 3.31Å; S260-Y262 PolarHBondContact O-N 2.97Å; S260-L263 WeakPolarHBondContact O-CB 3.32Å; S260-L263 PolarHBondContact O-N 2.9Å; S260-A264 PolarHBondContact O-N 3.35Å; S260-E288 WeakPolarHBondContact CB-O 3.43Å; S260-E288 VanDerWaalsContact OG-C 3.28Å; S260-E288 WeakPolarHBondContact OG-CA 3.3Å; S260-E288 PolarHBondContact OG-O 2.95Å; S260-Y291 PolarHBondContact OG-N 3.43Å; S260-Y291 PolarHBondContact OG-O 2.98Å |
| 261 | K | 92.2 | Very high | 90 | Very high | 102 Ų | 102 | 44 Ų | 44 | 44% | 0.443 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62 | -41.9 | 175.8 | -172.7 | 172.5 | -176.1 | 171.3 | 0 | 112.1 | D257 L263 A264 V265 E288 | D257-K261 WeakPolarHBondContact O-CB 3.39Å; D257-K261 PolarHBondContact O-N 2.83Å; K261-L263 VanDerWaalsContact C-N 3.3Å; K261-L263 PolarHBondContact O-N 2.93Å; K261-A264 PolarHBondContact O-N 3.42Å; K261-V265 HydrophobicContact CG-CG2 4.45Å; K261-V265 WeakPolarHBondContact O-CG2 3.31Å; K261-V265 PolarHBondContact O-N 2.77Å; K261-E288 HydrophobicContact CB-CB 4.29Å |
| 262 | Y | 93.2 | Very high | 89.5 | Confident | 70 Ų | 70 | 44.7 Ų | 44.7 | 28% | 0.275 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -55.9 | -45.8 | 174.3 | 164.3 | -92.6 | 0 | 0 | 0 | 111.5 | I248 H258 L259 S260 V265 R266 | I248-Y262 HydrophobicContact CD1-CD1 3.84Å; I248-Y262 HydrophobicContact CD1-CE1 3.25Å; I248-Y262 HydrophobicContact CG1-CE1 4.17Å; H258-Y262 WeakPolarHBondContact O-CB 3.43Å; H258-Y262 PolarHBondContact O-N 3.44Å; L259-Y262 WeakPolarHBondContact O-CB 3.26Å; L259-Y262 PolarHBondContact O-N 3.37Å; S260-Y262 PolarHBondContact O-N 2.97Å; Y262-V265 PolarHBondContact O-N 2.94Å; Y262-R266 HydrophobicContact CE1-CB 4.38Å; Y262-R266 WeakPolarHBondContact O-CB 3.5Å; Y262-R266 PolarHBondContact O-N 2.89Å; Y262-R266 PolarHBondContact OH-NE 3.17Å; Y262-R266 VanDerWaalsContact OH-NE 3.16Å |
| 263 | L | 91.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64 | -44.8 | -179.2 | -179.1 | 64.3 | 0 | 0 | 0 | 111.5 | F230 L259 S260 K261 R266 L267 Y291 Y329 | F230-L263 HydrophobicContact CE1-CB 4.12Å; F230-L263 HydrophobicContact CE1-CD2 4.22Å; F230-L263 HydrophobicContact CZ-CD2 4.32Å; L259-L263 WeakPolarHBondContact O-CB 3.21Å; L259-L263 PolarHBondContact O-N 3.13Å; S260-L263 WeakPolarHBondContact O-CB 3.32Å; S260-L263 PolarHBondContact O-N 2.9Å; K261-L263 VanDerWaalsContact C-N 3.3Å; K261-L263 PolarHBondContact O-N 2.93Å; L263-R266 PolarHBondContact O-N 2.87Å; L263-L267 HydrophobicContact CD1-CD1 3.96Å; L263-L267 HydrophobicContact CD1-CG 4.28Å; L263-L267 HydrophobicContact CG-CD1 3.98Å; L263-L267 WeakPolarHBondContact O-CB 3.32Å; L263-L267 WeakPolarHBondContact O-CG 3.39Å; L263-L267 PolarHBondContact O-N 2.93Å; L263-Y291 HydrophobicContact CB-CD2 4.36Å; L263-Y291 HydrophobicContact CD2-CD1 3.58Å; L263-Y291 HydrophobicContact CD2-CD2 3.93Å; L263-Y291 HydrophobicContact CD2-CE1 4.05Å; L263-Y291 HydrophobicContact CD2-CE2 4.38Å; L263-Y291 HydrophobicContact CD2-CG 3.53Å; L263-Y291 HydrophobicContact CG-CD1 4.43Å; L263-Y291 HydrophobicContact CG-CD2 4.1Å; L263-Y291 HydrophobicContact CG-CE2 4.26Å; L263-Y291 HydrophobicContact CG-CG 4.22Å; L263-Y329 HydrophobicContact CD1-CD1 4.46Å; L263-Y329 HydrophobicContact CD1-CE1 4.22Å; L263-Y329 HydrophobicContact CD1-CE2 4.28Å; L263-Y329 HydrophobicContact CD2-CD1 3.82Å; L263-Y329 HydrophobicContact CD2-CD2 3.35Å; L263-Y329 HydrophobicContact CD2-CE1 4.32Å; L263-Y329 HydrophobicContact CD2-CE2 3.88Å; L263-Y329 HydrophobicContact CD2-CG 3.3Å; L263-Y329 HydrophobicContact CG-CD2 4.5Å |
| 264 | A | 90 | Very high | 88.5 | Confident | 6 Ų | 6 | 54.8 Ų | 54.8 | 5% | 0.05 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.2 | -51.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | S260 K261 R266 L267 A268 A286 Q290 Y291 | S260-A264 PolarHBondContact O-N 3.35Å; K261-A264 PolarHBondContact O-N 3.42Å; A264-R266 VanDerWaalsContact C-N 3.33Å; A264-R266 PolarHBondContact O-N 2.97Å; A264-L267 PolarHBondContact O-N 3.34Å; A264-A268 WeakPolarHBondContact O-CB 3.18Å; A264-A268 PolarHBondContact O-N 2.96Å; A264-A286 HydrophobicContact CB-CB 3.98Å; A264-Q290 HydrophobicContact CB-CB 4.5Å; A264-Y291 HydrophobicContact CB-CD2 4.23Å; A264-Y291 HydrophobicContact CB-CE2 4.11Å |
| 265 | V | 89.2 | Confident | 87.3 | Confident | 47 Ų | 47 | 60.1 Ų | 60.1 | 29% | 0.285 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.4 | -43 | 178 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | K261 Y262 A268 L269 L283 A286 | K261-V265 HydrophobicContact CG-CG2 4.45Å; K261-V265 WeakPolarHBondContact O-CG2 3.31Å; K261-V265 PolarHBondContact O-N 2.77Å; Y262-V265 PolarHBondContact O-N 2.94Å; V265-A268 PolarHBondContact O-N 2.87Å; V265-L269 HydrophobicContact CG1-CD1 3.97Å; V265-L269 HydrophobicContact CG1-CG 4.45Å; V265-L269 VanDerWaalsContact O-CG 3.29Å; V265-L269 WeakPolarHBondContact O-CG 3.4Å; V265-L269 PolarHBondContact O-N 3.49Å; V265-L283 HydrophobicContact CG1-CD1 4.22Å; V265-A286 HydrophobicContact CB-CB 4.49Å; V265-A286 HydrophobicContact CG2-CB 3.61Å |
| 266 | R | 89.1 | Confident | 85.5 | Confident | 85 Ų | 85 | 62.3 Ų | 62.3 | 32% | 0.321 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.3 | -44 | -178.1 | -178.4 | 62.7 | 69.9 | -167.5 | 5 | 111.9 | R246 Y262 L263 A264 L269 E270 | R246-R266 VanDerWaalsContact NH1-CG 3.35Å; Y262-R266 HydrophobicContact CE1-CB 4.38Å; Y262-R266 WeakPolarHBondContact O-CB 3.5Å; Y262-R266 PolarHBondContact O-N 2.89Å; Y262-R266 PolarHBondContact OH-NE 3.17Å; Y262-R266 VanDerWaalsContact OH-NE 3.16Å; L263-R266 PolarHBondContact O-N 2.87Å; A264-R266 VanDerWaalsContact C-N 3.33Å; A264-R266 PolarHBondContact O-N 2.97Å; R266-L269 PolarHBondContact O-N 2.86Å; R266-E270 WeakPolarHBondContact O-CG 3.41Å; R266-E270 PolarHBondContact O-N 2.88Å |
| 267 | L | 86.3 | Confident | 83.7 | Confident | 44 Ų | 44 | 68.8 Ų | 68.8 | 23% | 0.23 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.3 | -41.7 | 177.7 | -74.6 | 168.4 | 0 | 0 | 0 | 111.7 | L263 A264 L269 E270 E271 Y291 | L263-L267 HydrophobicContact CD1-CD1 3.96Å; L263-L267 HydrophobicContact CD1-CG 4.28Å; L263-L267 HydrophobicContact CG-CD1 3.98Å; L263-L267 WeakPolarHBondContact O-CB 3.32Å; L263-L267 WeakPolarHBondContact O-CG 3.39Å; L263-L267 PolarHBondContact O-N 2.93Å; A264-L267 PolarHBondContact O-N 3.34Å; L267-L269 VanDerWaalsContact C-N 3.31Å; L267-L269 PolarHBondContact O-N 3.18Å; L267-E270 PolarHBondContact O-N 3.09Å; L267-E271 PolarHBondContact O-N 3.18Å; L267-Y291 HydrophobicContact CD1-CE1 4.16Å; L267-Y291 HydrophobicContact CD1-CE2 4.1Å; L267-Y291 WeakPolarHBondContact CD1-OH 3.44Å |
| 268 | A | 85 | Confident | 81.5 | Confident | 7 Ų | 7 | 71.2 Ų | 71.2 | 6% | 0.058 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.1 | -40.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | A264 V265 E271 L272 L283 | A264-A268 WeakPolarHBondContact O-CB 3.18Å; A264-A268 PolarHBondContact O-N 2.96Å; V265-A268 PolarHBondContact O-N 2.87Å; A268-E271 PolarHBondContact O-N 3.09Å; A268-L272 VanDerWaalsContact O-CG 3.3Å; A268-L272 WeakPolarHBondContact O-CG 3.39Å; A268-L272 PolarHBondContact O-N 2.78Å; A268-L283 HydrophobicContact CB-CD1 4.05Å |
| 269 | L | 84.1 | Confident | 79.5 | Confident | 59 Ų | 59 | 70.7 Ų | 70.7 | 31% | 0.309 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67.3 | -35.4 | 175.3 | -71.6 | 171.8 | 0 | 0 | 0 | 113.3 | V265 R266 L267 L272 R273 L283 | V265-L269 HydrophobicContact CG1-CD1 3.97Å; V265-L269 HydrophobicContact CG1-CG 4.45Å; V265-L269 VanDerWaalsContact O-CG 3.29Å; V265-L269 WeakPolarHBondContact O-CG 3.4Å; V265-L269 PolarHBondContact O-N 3.49Å; R266-L269 PolarHBondContact O-N 2.86Å; L267-L269 VanDerWaalsContact C-N 3.31Å; L267-L269 PolarHBondContact O-N 3.18Å; L269-L272 HydrophobicContact CD2-CD1 4.43Å; L269-R273 WeakPolarHBondContact O-CG 3.24Å; L269-R273 PolarHBondContact O-N 2.97Å; L269-L283 HydrophobicContact CD2-CD1 3.82Å; L269-L283 HydrophobicContact CG-CD1 3.85Å |
| 270 | E | 84.5 | Confident | 77.5 | Confident | 63 Ų | 63 | 78.1 Ų | 78.1 | 29% | 0.294 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -69.5 | -39.6 | 175.9 | -76.5 | 168.6 | -175.3 | 0 | 0 | 111.6 | R246 R266 L267 R273 S274 | R246-E270 IonicContact CZ-OE1 3.49Å; R246-E270 IonicContact CZ-OE2 3.57Å; R246-E270 IonicContact NH1-OE1 2.69Å; R246-E270 PolarHBondContact NH1-OE1 3.22Å; R246-E270 IonicContact NH1-OE2 3.53Å; R246-E270 IonicContact NH2-OE1 2.66Å; R246-E270 PolarHBondContact NH2-OE1 2.81Å; R246-E270 IonicContact NH2-OE2 3.74Å; R246-E270 PolarHBondContact NH2-OE2 3.05Å; R266-E270 WeakPolarHBondContact O-CG 3.41Å; R266-E270 PolarHBondContact O-N 2.88Å; L267-E270 PolarHBondContact O-N 3.09Å; E270-R273 PolarHBondContact O-N 3.13Å; E270-S274 PolarHBondContact O-N 3.39Å; E270-S274 PolarHBondContact O-OG 2.98Å |
| 271 | E | 80.2 | Confident | 75.4 | Confident | 79 Ų | 79 | 85.6 Ų | 85.6 | 37% | 0.369 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.4 | -40.5 | 175.2 | -170.3 | 171.2 | -158.4 | 0 | 0 | 112 | L267 A268 R273 S274 K275 | L267-E271 PolarHBondContact O-N 3.18Å; A268-E271 PolarHBondContact O-N 3.09Å; E271-R273 VanDerWaalsContact C-N 3.27Å; E271-R273 PolarHBondContact O-N 3.42Å; E271-S274 PolarHBondContact O-N 3.08Å; E271-S274 PolarHBondContact O-OG 3.43Å; E271-K275 HydrophobicContact CG-CD 4.04Å; E271-K275 PolarHBondContact O-N 3.24Å; E271-K275 IonicContact OE1-NZ 2.75Å; E271-K275 PolarHBondContact OE1-NZ 3.15Å |
| 272 | L | 79.4 | Confident | 73.8 | Confident | 55 Ų | 55 | 83.7 Ų | 83.7 | 29% | 0.288 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.2 | -37.5 | 173.2 | -76.1 | 168.8 | 0 | 0 | 0 | 112.3 | A268 L269 G276 | A268-L272 VanDerWaalsContact O-CG 3.3Å; A268-L272 WeakPolarHBondContact O-CG 3.39Å; A268-L272 PolarHBondContact O-N 2.78Å; L269-L272 HydrophobicContact CD2-CD1 4.43Å; L272-G276 PolarHBondContact O-N 2.95Å |
| 273 | R | 80.7 | Confident | 72.6 | Confident | 209 Ų | 209 | 83.6 Ų | 83.6 | 79% | 0.789 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -74.8 | -32.9 | 178.2 | -73.6 | 174.9 | 178.6 | -165.4 | -1.5 | 112.9 | L269 E270 E271 | L269-R273 WeakPolarHBondContact O-CG 3.24Å; L269-R273 PolarHBondContact O-N 2.97Å; E270-R273 PolarHBondContact O-N 3.13Å; E271-R273 VanDerWaalsContact C-N 3.27Å; E271-R273 PolarHBondContact O-N 3.42Å |
| 274 | S | 75 | Confident | 71.6 | Confident | 91 Ų | 91 | 90.6 Ų | 90.6 | 64% | 0.636 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -82.2 | -36.6 | -177.1 | 67.1 | 0 | 0 | 0 | 0 | 113.1 | E270 E271 | E270-S274 PolarHBondContact O-N 3.39Å; E270-S274 PolarHBondContact O-OG 2.98Å; E271-S274 PolarHBondContact O-N 3.08Å; E271-S274 PolarHBondContact O-OG 3.43Å |
| 275 | K | 66.8 | Low | 70.9 | Confident | 127 Ų | 127 | 94.6 Ų | 94.6 | 55% | 0.552 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -96.4 | -7.3 | -174.6 | -68.7 | -178.6 | -178.2 | 169.2 | 0 | 114.7 | E271 E277 | E271-K275 HydrophobicContact CG-CD 4.04Å; E271-K275 PolarHBondContact O-N 3.24Å; E271-K275 IonicContact OE1-NZ 2.75Å; E271-K275 PolarHBondContact OE1-NZ 3.15Å; K275-E277 WeakPolarHBondContact O-CG 3.43Å; K275-E277 PolarHBondContact O-N 2.92Å |
| 276 | G | 58.4 | Low | 70.3 | Confident | 75 Ų | 75 | 92.9 Ų | 92.9 | 77% | 0.773 | 49% | 0.49 | S | S | * | . | trans | 60.3 | 8.1 | 174 | 0 | 0 | 0 | 0 | 0 | 115.3 | L272 | L272-G276 PolarHBondContact O-N 2.95Š| ||
| 277 | E | 56.7 | Low | 70.1 | Confident | 138 Ų | 138 | 90.3 Ų | 90.3 | 65% | 0.645 | 49% | 0.485 | S | S | * | . | trans | -111 | 133.4 | -173.7 | -76.6 | 173.5 | 174.2 | 0 | 0 | 110.5 | K275 N279 | K275-E277 WeakPolarHBondContact O-CG 3.43Å; K275-E277 PolarHBondContact O-N 2.92Å; E277-N279 VanDerWaalsContact C-N 3.26Å; E277-N279 PolarHBondContact O-N 3.36Å | ||
| 278 | S | 48.9 | Very low | 69.9 | Low | 115 Ų | 115 | 91.5 Ų | 91.5 | 80% | 0.804 | 49% | 0.489 | S | S | * | . | trans | -73.9 | 57.3 | -169.2 | 55.2 | 0 | 0 | 0 | 0 | 114.4 | Q280 | S278-Q280 VanDerWaalsContact C-N 3.3Å; S278-Q280 PolarHBondContact O-N 3.49Å; S278-Q280 VanDerWaalsContact O-N 3.13Å | ||
| 279 | N | 50.8 | Low | 69.8 | Low | 104 Ų | 104 | 97.7 Ų | 97.7 | 56% | 0.556 | 52% | 0.515 | S | S | * | . | trans | -86.2 | 71.1 | 171.1 | -81.5 | -19.4 | 0 | 0 | 0 | 111.1 | E277 M281 N282 | E277-N279 VanDerWaalsContact C-N 3.26Å; E277-N279 PolarHBondContact O-N 3.36Å; N279-M281 PolarHBondContact O-N 3.26Å; N279-M281 VanDerWaalsContact O-N 3.07Å; N279-N282 PolarHBondContact O-N 3.48Å | ||
| 280 | Q | 52.1 | Low | 69.9 | Low | 163 Ų | 163 | 98.4 Ų | 98.4 | 76% | 0.762 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -51.6 | -26.9 | 167.3 | -83.7 | 178.3 | -12.8 | 0 | 0 | 112.2 | S278 N282 L283 | S278-Q280 VanDerWaalsContact C-N 3.3Å; S278-Q280 PolarHBondContact O-N 3.49Å; S278-Q280 VanDerWaalsContact O-N 3.13Å; Q280-N282 VanDerWaalsContact C-N 3.26Å; Q280-N282 PolarHBondContact O-N 2.96Å; Q280-N282 VanDerWaalsContact O-N 3.13Å; Q280-L283 PolarHBondContact O-N 2.59Å |
| 281 | M | 49.6 | Very low | 70.2 | Confident | 158 Ų | 158 | 97.6 Ų | 97.6 | 78% | 0.778 | 51% | 0.511 | S | S | * | . | G | 310 helix | trans | -54.6 | -29.7 | -177.8 | -70.2 | -97.9 | -179.3 | 0 | 0 | 115.3 | N279 T285 | N279-M281 PolarHBondContact O-N 3.26Å; N279-M281 VanDerWaalsContact O-N 3.07Å; M281-T285 PolarHBondContact O-OG1 2.96Å |
| 282 | N | 59.2 | Low | 70.8 | Confident | 63 Ų | 63 | 95.2 Ų | 95.2 | 34% | 0.337 | 50% | 0.502 | S | S | . | . | G | 310 helix | trans | -84.9 | -20.2 | -173.7 | -153.5 | -2.4 | 0 | 0 | 0 | 113.2 | N279 Q280 T285 | N279-N282 PolarHBondContact O-N 3.48Å; Q280-N282 VanDerWaalsContact C-N 3.26Å; Q280-N282 PolarHBondContact O-N 2.96Å; Q280-N282 VanDerWaalsContact O-N 3.13Å; N282-T285 PolarHBondContact O-OG1 2.89Å |
| 283 | L | 67.7 | Low | 71.5 | Confident | 67 Ų | 67 | 92.8 Ų | 92.8 | 35% | 0.351 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -36.8 | -179.6 | -153.3 | 76.3 | 0 | 0 | 0 | 111.5 | V265 A268 L269 Q280 T285 A286 | V265-L283 HydrophobicContact CG1-CD1 4.22Å; A268-L283 HydrophobicContact CB-CD1 4.05Å; L269-L283 HydrophobicContact CD2-CD1 3.82Å; L269-L283 HydrophobicContact CG-CD1 3.85Å; Q280-L283 PolarHBondContact O-N 2.59Å; L283-T285 PolarHBondContact O-N 2.98Å; L283-A286 WeakPolarHBondContact O-CB 3.45Å; L283-A286 PolarHBondContact O-N 3.24Å |
| 284 | D | 69.3 | Low | 72.3 | Confident | 148 Ų | 148 | 84.3 Ų | 84.3 | 79% | 0.791 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -21 | 179.2 | -63.4 | -31.7 | 0 | 0 | 0 | 112.6 | ||
| 285 | T | 75.6 | Confident | 73.2 | Confident | 89 Ų | 89 | 80 Ų | 80 | 55% | 0.546 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -5.9 | 177.5 | 12.9 | 0 | 0 | 0 | 0 | 113.5 | M281 N282 L283 S287 | M281-T285 PolarHBondContact O-OG1 2.96Å; N282-T285 PolarHBondContact O-OG1 2.89Å; L283-T285 PolarHBondContact O-N 2.98Å; T285-S287 PolarHBondContact O-N 3.43Å |
| 286 | A | 77.3 | Confident | 74.4 | Confident | 12 Ų | 12 | 75.2 Ų | 75.2 | 10% | 0.099 | 41% | 0.412 | C | S | . | . | trans | -66.5 | 114.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A264 V265 L283 | A264-A286 HydrophobicContact CB-CB 3.98Å; V265-A286 HydrophobicContact CB-CB 4.49Å; V265-A286 HydrophobicContact CG2-CB 3.61Å; L283-A286 WeakPolarHBondContact O-CB 3.45Å; L283-A286 PolarHBondContact O-N 3.24Å | ||
| 287 | S | 85.4 | Confident | 75.7 | Confident | 31 Ų | 31 | 73.3 Ų | 73.3 | 22% | 0.217 | 39% | 0.385 | C | S | . | . | trans | -134.1 | 153.2 | -175.8 | 173.7 | 0 | 0 | 0 | 0 | 111.7 | T285 K289 Q290 | T285-S287 PolarHBondContact O-N 3.43Å; S287-K289 PolarHBondContact O-N 2.73Å; S287-K289 PolarHBondContact OG-N 3.04Å; S287-Q290 PolarHBondContact O-N 2.84Å; S287-Q290 VanDerWaalsContact O-N 3.16Å; S287-Q290 PolarHBondContact O-OE1 3.12Å | ||
| 288 | E | 81.7 | Confident | 77 | Confident | 68 Ų | 68 | 72.5 Ų | 72.5 | 32% | 0.318 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -17.8 | 169.8 | 67.6 | -80.6 | -171 | 0 | 0 | 114.3 | D257 S260 K261 | D257-E288 HydrophobicContact CB-CB 3.86Å; D257-E288 HydrophobicContact CB-CG 4.2Å; D257-E288 WeakPolarHBondContact O-CB 3.38Å; S260-E288 WeakPolarHBondContact CB-O 3.43Å; S260-E288 VanDerWaalsContact OG-C 3.28Å; S260-E288 WeakPolarHBondContact OG-CA 3.3Å; S260-E288 PolarHBondContact OG-O 2.95Å; K261-E288 HydrophobicContact CB-CB 4.29Å |
| 289 | K | 83.1 | Confident | 78.6 | Confident | 137 Ų | 137 | 71 Ų | 71 | 60% | 0.596 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -17.2 | 179.2 | -63.3 | -176.2 | -178.6 | 179.4 | 0 | 114 | S287 Y291 T332 | S287-K289 PolarHBondContact O-N 2.73Å; S287-K289 PolarHBondContact OG-N 3.04Å; K289-Y291 VanDerWaalsContact C-N 3.34Å; K289-Y291 PolarHBondContact O-N 3.23Å; K289-T332 WeakPolarHBondContact O-CB 3.38Å; K289-T332 PolarHBondContact O-OG1 2.95Å |
| 290 | Q | 85 | Confident | 80.2 | Confident | 74 Ų | 74 | 68.8 Ų | 68.8 | 35% | 0.346 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -73.4 | -26.6 | -172.5 | -70.1 | 174.2 | -64 | 0 | 0 | 113.3 | A264 S287 P331 T332 | A264-Q290 HydrophobicContact CB-CB 4.5Å; S287-Q290 PolarHBondContact O-N 2.84Å; S287-Q290 VanDerWaalsContact O-N 3.16Å; S287-Q290 PolarHBondContact O-OE1 3.12Å; Q290-P331 WeakPolarHBondContact O-CA 3.43Å; Q290-T332 PolarHBondContact O-N 2.69Å; Q290-T332 PolarHBondContact O-OG1 3.5Å |
| 291 | Y | 91.1 | Very high | 82 | Confident | 46 Ų | 46 | 67.3 Ų | 67.3 | 18% | 0.18 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 135.3 | -178.2 | -65.7 | -84.2 | 0 | 0 | 0 | 111.9 | S260 L263 A264 L267 K289 Y329 A330 P331 T332 | S260-Y291 PolarHBondContact OG-N 3.43Å; S260-Y291 PolarHBondContact OG-O 2.98Å; L263-Y291 HydrophobicContact CB-CD2 4.36Å; L263-Y291 HydrophobicContact CD2-CD1 3.58Å; L263-Y291 HydrophobicContact CD2-CD2 3.93Å; L263-Y291 HydrophobicContact CD2-CE1 4.05Å; L263-Y291 HydrophobicContact CD2-CE2 4.38Å; L263-Y291 HydrophobicContact CD2-CG 3.53Å; L263-Y291 HydrophobicContact CG-CD1 4.43Å; L263-Y291 HydrophobicContact CG-CD2 4.1Å; L263-Y291 HydrophobicContact CG-CE2 4.26Å; L263-Y291 HydrophobicContact CG-CG 4.22Å; A264-Y291 HydrophobicContact CB-CD2 4.23Å; A264-Y291 HydrophobicContact CB-CE2 4.11Å; L267-Y291 HydrophobicContact CD1-CE1 4.16Å; L267-Y291 HydrophobicContact CD1-CE2 4.1Å; L267-Y291 WeakPolarHBondContact CD1-OH 3.44Å; K289-Y291 VanDerWaalsContact C-N 3.34Å; K289-Y291 PolarHBondContact O-N 3.23Å; Y291-Y329 HydrophobicContact CD1-CD2 4.17Å; Y291-Y329 HydrophobicContact CE1-CD2 4.42Å; Y291-A330 WeakPolarHBondContact CA-O 3.36Å; Y291-P331 HydrophobicContact CE1-CG 4.2Å; Y291-T332 VanDerWaalsContact C-OG1 3.24Å; Y291-T332 PolarHBondContact N-OG1 3.28Å |
| 292 | T | 93.5 | Very high | 84 | Confident | 30 Ų | 30 | 63.1 Ų | 63.1 | 18% | 0.184 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 132.2 | 169.3 | -57.8 | 0 | 0 | 0 | 0 | 109 | Y294 V304 Y329 A330 T332 | T292-Y294 HydrophobicContact CG2-CD2 4.43Å; T292-Y294 HydrophobicContact CG2-CE1 4.26Å; T292-Y294 HydrophobicContact CG2-CE2 3.69Å; T292-Y294 WeakPolarHBondContact O-CD2 3.25Å; T292-Y294 WeakPolarHBondContact O-CE2 3.46Å; T292-V304 HydrophobicContact CG2-CG1 3.67Å; T292-V304 HydrophobicContact CG2-CG2 4.24Å; T292-Y329 WeakPolarHBondContact O-CA 3.48Å; T292-A330 PolarHBondContact N-O 3.18Å; T292-A330 PolarHBondContact O-N 3.42Å; T292-T332 PolarHBondContact N-OG1 2.96Å; T292-T332 PolarHBondContact OG1-OG1 2.88Å |
| 293 | I | 94.6 | Very high | 85.6 | Confident | 3 Ų | 3 | 62.3 Ų | 62.3 | 2% | 0.015 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 135.7 | -176.3 | -48.2 | -44.2 | 0 | 0 | 0 | 110 | F230 V256 L305 L327 Y328 | F230-I293 HydrophobicContact CE2-CD1 4.01Å; F230-I293 HydrophobicContact CE2-CG2 3.99Å; F230-I293 HydrophobicContact CZ-CD1 3.53Å; F230-I293 HydrophobicContact CZ-CG1 4.32Å; F230-I293 HydrophobicContact CZ-CG2 4.34Å; V256-I293 HydrophobicContact CG1-CB 3.61Å; V256-I293 HydrophobicContact CG1-CG1 3.65Å; V256-I293 HydrophobicContact CG1-CG2 4.19Å; I293-L305 HydrophobicContact CG2-CD1 4.18Å; I293-L305 PolarHBondContact O-N 2.95Å; I293-L327 HydrophobicContact CG2-CB 4.37Å; I293-L327 HydrophobicContact CG2-CD1 4.31Å; I293-Y328 CarbonylContact C-O 3.55Å; I293-Y328 WeakPolarHBondContact CA-O 3.28Å |
| 294 | Y | 95.5 | Very high | 86.9 | Confident | 32 Ų | 32 | 63 Ų | 63 | 13% | 0.125 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 153.2 | -176.1 | -54.1 | -102.3 | 0 | 0 | 0 | 110.9 | H233 L236 T292 F302 T303 V304 Y328 A330 | H233-Y294 AromaticContact CD2-CD2 3.81Å; H233-Y294 AromaticContact CD2-CG 3.81Å; L236-Y294 HydrophobicContact CD1-CE1 4.31Å; L236-Y294 HydrophobicContact CD1-CE2 4.29Å; T292-Y294 HydrophobicContact CG2-CD2 4.43Å; T292-Y294 HydrophobicContact CG2-CE1 4.26Å; T292-Y294 HydrophobicContact CG2-CE2 3.69Å; T292-Y294 WeakPolarHBondContact O-CD2 3.25Å; T292-Y294 WeakPolarHBondContact O-CE2 3.46Å; Y294-F302 HydrophobicContact CD1-CB 4.25Å; Y294-T303 CarbonylContact C-O 3.52Å; Y294-T303 VanDerWaalsContact CA-O 3.25Å; Y294-T303 WeakPolarHBondContact CA-O 3.39Å; Y294-V304 HydrophobicContact CD1-CG2 3.74Å; Y294-V304 HydrophobicContact CE1-CG2 3.38Å; Y294-Y328 PolarHBondContact N-O 2.99Å; Y294-Y328 PolarHBondContact O-N 3.25Å; Y294-A330 HydrophobicContact CE2-CB 3.85Å |
| 295 | I | 94.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 138.6 | 168.4 | -169.2 | 157.8 | 0 | 0 | 0 | 109.7 | F302 T303 L305 V314 Y318 W319 M325 L327 | I295-F302 WeakPolarHBondContact O-CA 3.48Å; I295-T303 PolarHBondContact N-O 3.24Å; I295-T303 PolarHBondContact O-N 3.07Å; I295-L305 HydrophobicContact CB-CD1 4.25Å; I295-L305 HydrophobicContact CB-CD2 4.36Å; I295-L305 HydrophobicContact CB-CG 4.38Å; I295-L305 HydrophobicContact CG2-CD1 4.45Å; I295-L305 HydrophobicContact CG2-CD2 3.66Å; I295-L305 HydrophobicContact CG2-CG 4.1Å; I295-V314 HydrophobicContact CD1-CG1 4.01Å; I295-Y318 HydrophobicContact CG2-CD1 4.26Å; I295-Y318 HydrophobicContact CG2-CG 4.12Å; I295-W319 HydrophobicContact CD1-CB 4.24Å; I295-W319 HydrophobicContact CD1-CE3 4.28Å; I295-M325 HydrophobicContact CD1-CG 4.24Å; I295-M325 HydrophobicContact CD1-SD 4.22Å; I295-L327 HydrophobicContact CB-CD2 4.06Å; I295-L327 HydrophobicContact CD1-CD2 3.96Å; I295-L327 HydrophobicContact CG1-CD2 4.17Å |
| 296 | A | 92.3 | Very high | 88.9 | Confident | 27 Ų | 27 | 56.1 Ų | 56.1 | 22% | 0.223 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 125.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | F302 Y328 | A296-F302 HydrophobicContact CB-CD1 4.44Å; A296-F302 HydrophobicContact CB-CE1 4.11Å; A296-F302 HydrophobicContact CB-CZ 4.47Å; A296-Y328 HydrophobicContact CB-CE2 3.98Å |
| 297 | T | 86.5 | Confident | 89.6 | Confident | 34 Ų | 34 | 56.2 Ų | 56.2 | 21% | 0.209 | 33% | 0.33 | C | S | . | . | trans | -86.6 | 166.7 | 174.9 | 63.1 | 0 | 0 | 0 | 0 | 110.8 | S299 G300 Q301 T303 | T297-S299 PolarHBondContact O-N 3.38Å; T297-S299 PolarHBondContact OG1-OG 3.47Å; T297-G300 PolarHBondContact O-N 3.26Å; T297-Q301 PolarHBondContact N-O 3.49Å; T297-Q301 PolarHBondContact OG1-N 3.45Å; T297-Q301 PolarHBondContact OG1-O 2.94Å; T297-Q301 VanDerWaalsContact OG1-O 3.07Å; T297-T303 WeakPolarHBondContact CG2-OG1 3.45Å | ||
| 298 | A | 82.4 | Confident | 90 | Very high | 121 Ų | 121 | 58.5 Ų | 58.5 | 100% | 1 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -20.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114 | G300 | A298-G300 VanDerWaalsContact C-N 3.25Å; A298-G300 PolarHBondContact O-N 3.02Å |
| 299 | S | 83.8 | Confident | 90.6 | Very high | 85 Ų | 85 | 57.3 Ų | 57.3 | 59% | 0.594 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | 0.9 | 174.1 | 57.8 | 0 | 0 | 0 | 0 | 113.8 | T297 Q301 | T297-S299 PolarHBondContact O-N 3.38Å; T297-S299 PolarHBondContact OG1-OG 3.47Å; S299-Q301 PolarHBondContact O-N 3.44Å; S299-Q301 PolarHBondContact OG-OE1 3.28Å |
| 300 | G | 83.4 | Confident | 91.1 | Very high | 56 Ų | 56 | 52.4 Ų | 52.4 | 58% | 0.577 | 32% | 0.322 | S | S | * | . | S | Bend | trans | 76.2 | 6.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | T297 A298 | T297-G300 PolarHBondContact O-N 3.26Å; A298-G300 VanDerWaalsContact C-N 3.25Å; A298-G300 PolarHBondContact O-N 3.02Å |
| 301 | Q | 89.5 | Confident | 91.5 | Very high | 132 Ų | 132 | 48.9 Ų | 48.9 | 62% | 0.617 | 31% | 0.306 | S | S | * | . | P | Polyproline II helix | trans | -85.9 | 147 | 176.6 | -67.5 | 177.7 | -32.4 | 0 | 0 | 110.9 | T297 S299 | T297-Q301 PolarHBondContact N-O 3.49Å; T297-Q301 PolarHBondContact OG1-N 3.45Å; T297-Q301 PolarHBondContact OG1-O 2.94Å; T297-Q301 VanDerWaalsContact OG1-O 3.07Å; S299-Q301 PolarHBondContact O-N 3.44Å; S299-Q301 PolarHBondContact OG-OE1 3.28Å |
| 302 | F | 92.5 | Very high | 91.4 | Very high | 71 Ų | 71 | 49 Ų | 49 | 31% | 0.311 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 116.1 | 175.7 | -70.6 | -92.6 | 0 | 0 | 0 | 109.8 | H233 P234 Y294 I295 A296 Y328 | H233-F302 AromaticContact CD2-CD1 3.95Å; H233-F302 AromaticContact NE2-CD1 3.73Å; H233-F302 AromaticContact NE2-CD2 3.88Å; H233-F302 AromaticContact NE2-CG 3.42Å; H233-F302 WeakPolarHBondContact NE2-CG 3.39Å; P234-F302 HydrophobicContact CG-CE1 4.25Å; P234-F302 HydrophobicContact CG-CE2 3.92Å; P234-F302 HydrophobicContact CG-CZ 3.55Å; Y294-F302 HydrophobicContact CD1-CB 4.25Å; I295-F302 WeakPolarHBondContact O-CA 3.48Å; A296-F302 HydrophobicContact CB-CD1 4.44Å; A296-F302 HydrophobicContact CB-CE1 4.11Å; A296-F302 HydrophobicContact CB-CZ 4.47Å; F302-Y328 HydrophobicContact CD1-CD2 4.04Å; F302-Y328 HydrophobicContact CD1-CG 4.13Å; F302-Y328 AromaticContact CE1-CD1 3.82Å; F302-Y328 HydrophobicContact CE1-CD1 3.82Å; F302-Y328 AromaticContact CE1-CD2 3.56Å; F302-Y328 HydrophobicContact CE1-CD2 3.56Å; F302-Y328 AromaticContact CE1-CE1 3.99Å; F302-Y328 HydrophobicContact CE1-CE1 3.99Å; F302-Y328 AromaticContact CE1-CE2 3.77Å; F302-Y328 HydrophobicContact CE1-CE2 3.77Å; F302-Y328 AromaticContact CE1-CG 3.61Å; F302-Y328 HydrophobicContact CE1-CG 3.61Å; F302-Y328 AromaticContact CE1-CZ 3.98Å; F302-Y328 HydrophobicContact CZ-CE1 4.45Å |
| 303 | T | 93.3 | Very high | 91.4 | Very high | 45 Ų | 45 | 50.9 Ų | 50.9 | 28% | 0.276 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 129.5 | 177.8 | -60.3 | 0 | 0 | 0 | 0 | 110 | Y294 I295 T297 Y318 | Y294-T303 CarbonylContact C-O 3.52Å; Y294-T303 VanDerWaalsContact CA-O 3.25Å; Y294-T303 WeakPolarHBondContact CA-O 3.39Å; I295-T303 PolarHBondContact N-O 3.24Å; I295-T303 PolarHBondContact O-N 3.07Å; T297-T303 WeakPolarHBondContact CG2-OG1 3.45Å; T303-Y318 HydrophobicContact CG2-CE1 4.09Å |
| 304 | V | 94.7 | Very high | 91.3 | Very high | 82 Ų | 82 | 50.8 Ų | 50.8 | 50% | 0.497 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 128.2 | 172.3 | 179.1 | 0 | 0 | 0 | 0 | 109.5 | T292 Y294 | T292-V304 HydrophobicContact CG2-CG1 3.67Å; T292-V304 HydrophobicContact CG2-CG2 4.24Å; Y294-V304 HydrophobicContact CD1-CG2 3.74Å; Y294-V304 HydrophobicContact CE1-CG2 3.38Å |
| 305 | L | 94.5 | Very high | 91.1 | Very high | 9 Ų | 9 | 51 Ų | 51 | 5% | 0.047 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -87.6 | 139.7 | 175.9 | -65.6 | 178.9 | 0 | 0 | 0 | 110.9 | V256 I293 I295 V314 Y318 L327 | V256-L305 HydrophobicContact CG1-CB 4.02Å; V256-L305 HydrophobicContact CG2-CB 3.94Å; V256-L305 HydrophobicContact CG2-CD1 4.12Å; I293-L305 HydrophobicContact CG2-CD1 4.18Å; I293-L305 PolarHBondContact O-N 2.95Å; I295-L305 HydrophobicContact CB-CD1 4.25Å; I295-L305 HydrophobicContact CB-CD2 4.36Å; I295-L305 HydrophobicContact CB-CG 4.38Å; I295-L305 HydrophobicContact CG2-CD1 4.45Å; I295-L305 HydrophobicContact CG2-CD2 3.66Å; I295-L305 HydrophobicContact CG2-CG 4.1Å; L305-V314 HydrophobicContact CD1-CG1 3.67Å; L305-V314 HydrophobicContact CD1-CG2 4.18Å; L305-V314 HydrophobicContact CD2-CG1 3.93Å; L305-V314 HydrophobicContact CD2-CG2 4.22Å; L305-V314 HydrophobicContact CG-CG1 4.48Å; L305-Y318 HydrophobicContact CD2-CD2 3.84Å; L305-Y318 HydrophobicContact CD2-CE2 3.9Å; L305-Y318 HydrophobicContact CD2-CG 4.3Å; L305-L327 HydrophobicContact CD1-CD2 3.76Å |
| 306 | N | 92.5 | Very high | 90.8 | Very high | 84 Ų | 84 | 55.7 Ų | 55.7 | 45% | 0.449 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -72 | 131.8 | 173.4 | -172.2 | -35.7 | 0 | 0 | 0 | 109.5 | V256 S308 F309 | V256-N306 WeakPolarHBondContact CB-O 3.42Å; N306-S308 PolarHBondContact O-N 3.26Å; N306-S308 VanDerWaalsContact O-N 3.12Å; N306-S308 PolarHBondContact OD1-N 3.35Å; N306-S308 VanDerWaalsContact OD1-N 3.08Å; N306-S308 PolarHBondContact OD1-OG 3Å; N306-F309 HydrophobicContact CB-CD1 3.94Å; N306-F309 HydrophobicContact CB-CD2 3.9Å; N306-F309 HydrophobicContact CB-CE1 3.84Å; N306-F309 HydrophobicContact CB-CE2 3.79Å; N306-F309 HydrophobicContact CB-CG 3.97Å; N306-F309 HydrophobicContact CB-CZ 3.76Å; N306-F309 WeakPolarHBondContact O-CB 3.33Å; N306-F309 PolarHBondContact O-N 3.38Å |
| 307 | G | 91.8 | Very high | 90.7 | Very high | 14 Ų | 14 | 59.5 Ų | 59.5 | 14% | 0.144 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51 | -34.2 | 179 | 0 | 0 | 0 | 0 | 0 | 114.8 | T255 V256 D257 F309 | T255-G307 WeakPolarHBondContact CB-O 3.36Å; T255-G307 PolarHBondContact OG1-O 3.35Å; V256-G307 PolarHBondContact N-O 2.81Å; D257-G307 VanDerWaalsContact CG-C 3.44Å; D257-G307 PolarHBondContact N-O 3.09Å; D257-G307 WeakPolarHBondContact OD1-CA 3.43Å; D257-G307 WeakPolarHBondContact OD2-CA 3.38Å; G307-F309 VanDerWaalsContact C-N 3.34Å; G307-F309 PolarHBondContact O-N 3.25Å |
| 308 | S | 92.9 | Very high | 90.9 | Very high | 78 Ų | 78 | 60.7 Ų | 60.7 | 55% | 0.545 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -10.5 | -178.6 | 60.4 | 0 | 0 | 0 | 0 | 115 | N306 | N306-S308 PolarHBondContact O-N 3.26Å; N306-S308 VanDerWaalsContact O-N 3.12Å; N306-S308 PolarHBondContact OD1-N 3.35Å; N306-S308 VanDerWaalsContact OD1-N 3.08Å; N306-S308 PolarHBondContact OD1-OG 3Å |
| 309 | F | 94.8 | Very high | 91.2 | Very high | 43 Ų | 43 | 56.9 Ų | 56.9 | 19% | 0.189 | 32% | 0.317 | C | S | . | . | trans | -73.9 | 133.6 | -179.3 | -68.1 | -8.5 | 0 | 0 | 0 | 111.2 | T255 V256 N306 G307 L313 V314 Y318 | T255-F309 CarbonylContact C-O 3.5Å; T255-F309 WeakPolarHBondContact CA-O 3.28Å; T255-F309 WeakPolarHBondContact CB-O 3.44Å; V256-F309 HydrophobicContact CG2-CB 4.39Å; V256-F309 PolarHBondContact N-O 3.47Å; N306-F309 HydrophobicContact CB-CD1 3.94Å; N306-F309 HydrophobicContact CB-CD2 3.9Å; N306-F309 HydrophobicContact CB-CE1 3.84Å; N306-F309 HydrophobicContact CB-CE2 3.79Å; N306-F309 HydrophobicContact CB-CG 3.97Å; N306-F309 HydrophobicContact CB-CZ 3.76Å; N306-F309 WeakPolarHBondContact O-CB 3.33Å; N306-F309 PolarHBondContact O-N 3.38Å; G307-F309 VanDerWaalsContact C-N 3.34Å; G307-F309 PolarHBondContact O-N 3.25Å; F309-L313 HydrophobicContact CB-CD2 4.21Å; F309-L313 HydrophobicContact CD1-CD2 3.84Å; F309-L313 HydrophobicContact CE1-CD2 4.36Å; F309-L313 HydrophobicContact CG-CD2 3.97Å; F309-V314 HydrophobicContact CB-CG2 3.84Å; F309-Y318 HydrophobicContact CD2-CE2 4.2Å; F309-Y318 HydrophobicContact CE2-CE2 4.11Å | ||
| 310 | S | 93.9 | Very high | 91.3 | Very high | 34 Ų | 34 | 60.6 Ų | 60.6 | 24% | 0.238 | 32% | 0.322 | C | S | . | . | B | Isolated β-bridge | trans | -69.6 | 150.5 | 169.3 | 68.3 | 0 | 0 | 0 | 0 | 110.5 | G252 A254 E312 L313 V314 | G252-S310 WeakPolarHBondContact O-CB 3.36Å; A254-S310 CarbonylContact O-C 3.57Å; A254-S310 VanDerWaalsContact O-CA 3.31Å; A254-S310 WeakPolarHBondContact O-CA 3.33Å; S310-E312 PolarHBondContact O-N 2.93Å; S310-L313 WeakPolarHBondContact O-CB 3.46Å; S310-L313 PolarHBondContact O-N 3.24Å; S310-L313 VanDerWaalsContact O-N 3.1Å; S310-L313 WeakPolarHBondContact OG-CB 3.33Å; S310-L313 PolarHBondContact OG-N 3.36Å; S310-L313 VanDerWaalsContact OG-N 3.15Å; S310-V314 WeakPolarHBondContact O-CG2 3.34Å; S310-V314 PolarHBondContact O-N 2.97Å |
| 311 | L | 93.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.3 | -29.7 | 177.4 | -61.9 | -177.2 | 0 | 0 | 0 | 111.9 | I226 L228 T250 G252 A254 L259 V314 S315 M325 | I226-L311 VanDerWaalsContact CD1-C 3.41Å; I226-L311 HydrophobicContact CD1-CB 3.76Å; L228-L311 HydrophobicContact CD2-CD1 3.97Å; T250-L311 HydrophobicContact CG2-CD1 3.42Å; T250-L311 VanDerWaalsContact CG2-CD1 3.42Å; G252-L311 PolarHBondContact O-N 3.24Å; A254-L311 HydrophobicContact CB-CD1 4.1Å; A254-L311 HydrophobicContact CB-CG 4.45Å; A254-L311 WeakPolarHBondContact O-CG 3.47Å; A254-L311 PolarHBondContact O-N 2.97Å; L259-L311 HydrophobicContact CD1-CD1 4.02Å; L259-L311 HydrophobicContact CD1-CD2 3.42Å; L259-L311 VanDerWaalsContact CD1-CD2 3.42Å; L259-L311 HydrophobicContact CD1-CG 4.33Å; L259-L311 HydrophobicContact CD2-CD1 4.21Å; L259-L311 HydrophobicContact CG-CD1 4.18Å; L259-L311 HydrophobicContact CG-CD2 4.08Å; L311-V314 PolarHBondContact O-N 3.14Å; L311-S315 WeakPolarHBondContact O-CB 3.38Å; L311-S315 PolarHBondContact O-N 2.82Å; L311-M325 HydrophobicContact CB-CE 4.29Å; L311-M325 HydrophobicContact CD2-CE 4.19Å |
| 312 | E | 89.7 | Confident | 91 | Very high | 48 Ų | 48 | 59.5 Ų | 59.5 | 22% | 0.224 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.4 | -47.5 | 171.2 | -170.9 | 165.1 | -129.5 | 0 | 0 | 111.3 | S224 I226 G252 S310 V314 S315 E316 | S224-E312 PolarHBondContact OG-OE1 3.03Å; I226-E312 HydrophobicContact CD1-CB 4.33Å; G252-E312 PolarHBondContact O-N 3.44Å; S310-E312 PolarHBondContact O-N 2.93Å; E312-V314 VanDerWaalsContact C-N 3.33Å; E312-V314 PolarHBondContact O-N 3.43Å; E312-S315 PolarHBondContact O-N 2.91Å; E312-E316 WeakPolarHBondContact O-CG 3.48Å; E312-E316 PolarHBondContact O-N 2.83Å |
| 313 | L | 92.2 | Very high | 90.7 | Very high | 71 Ų | 71 | 63.4 Ų | 63.4 | 37% | 0.372 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.7 | -39.8 | 175.8 | 179.2 | 64.6 | 0 | 0 | 0 | 111.9 | F309 S310 K317 | F309-L313 HydrophobicContact CB-CD2 4.21Å; F309-L313 HydrophobicContact CD1-CD2 3.84Å; F309-L313 HydrophobicContact CE1-CD2 4.36Å; F309-L313 HydrophobicContact CG-CD2 3.97Å; S310-L313 WeakPolarHBondContact O-CB 3.46Å; S310-L313 PolarHBondContact O-N 3.24Å; S310-L313 VanDerWaalsContact O-N 3.1Å; S310-L313 WeakPolarHBondContact OG-CB 3.33Å; S310-L313 PolarHBondContact OG-N 3.36Å; S310-L313 VanDerWaalsContact OG-N 3.15Å; L313-K317 WeakPolarHBondContact O-CB 3.49Å; L313-K317 PolarHBondContact O-N 3.3Å |
| 314 | V | 92.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.7 | -45.3 | 177.4 | 176.1 | 0 | 0 | 0 | 0 | 110.8 | V256 I295 L305 F309 S310 L311 E312 E316 K317 Y318 W319 M325 | V256-V314 HydrophobicContact CG2-CG2 3.98Å; I295-V314 HydrophobicContact CD1-CG1 4.01Å; L305-V314 HydrophobicContact CD1-CG1 3.67Å; L305-V314 HydrophobicContact CD1-CG2 4.18Å; L305-V314 HydrophobicContact CD2-CG1 3.93Å; L305-V314 HydrophobicContact CD2-CG2 4.22Å; L305-V314 HydrophobicContact CG-CG1 4.48Å; F309-V314 HydrophobicContact CB-CG2 3.84Å; S310-V314 WeakPolarHBondContact O-CG2 3.34Å; S310-V314 PolarHBondContact O-N 2.97Å; L311-V314 PolarHBondContact O-N 3.14Å; E312-V314 VanDerWaalsContact C-N 3.33Å; E312-V314 PolarHBondContact O-N 3.43Å; V314-E316 PolarHBondContact O-N 3.13Å; V314-K317 PolarHBondContact O-N 3.37Å; V314-Y318 HydrophobicContact CG1-CD2 4.22Å; V314-Y318 WeakPolarHBondContact O-CB 3.48Å; V314-Y318 PolarHBondContact O-N 3.33Å; V314-W319 PolarHBondContact O-N 2.88Å; V314-M325 HydrophobicContact CB-SD 4.29Å; V314-M325 HydrophobicContact CG1-CE 4.32Å; V314-M325 HydrophobicContact CG1-SD 3.66Å |
| 315 | S | 90.7 | Very high | 90.4 | Very high | 36 Ų | 36 | 60.1 Ų | 60.1 | 25% | 0.252 | 31% | 0.308 | S | S | . | . | I | π-helix | trans | -59.1 | -47 | 178.1 | -177.9 | 0 | 0 | 0 | 0 | 111.5 | L311 E312 W319 K320 | L311-S315 WeakPolarHBondContact O-CB 3.38Å; L311-S315 PolarHBondContact O-N 2.82Å; E312-S315 PolarHBondContact O-N 2.91Å; S315-W319 PolarHBondContact O-N 3.09Å; S315-K320 PolarHBondContact O-N 3.2Å |
| 316 | E | 89 | Confident | 90.4 | Very high | 99 Ų | 99 | 62.4 Ų | 62.4 | 46% | 0.463 | 32% | 0.318 | S | S | . | . | I | π-helix | trans | -68.9 | -39.8 | -179.8 | -69.2 | -173.2 | 159.4 | 0 | 0 | 113.2 | K133 E312 V314 K320 | K133-E316 IonicContact NZ-OE1 2.62Å; K133-E316 PolarHBondContact NZ-OE1 3.31Å; E312-E316 WeakPolarHBondContact O-CG 3.48Å; E312-E316 PolarHBondContact O-N 2.83Å; V314-E316 PolarHBondContact O-N 3.13Å; E316-K320 WeakPolarHBondContact O-CE 3.2Å; E316-K320 VanDerWaalsContact O-CG 3.27Å; E316-K320 WeakPolarHBondContact O-CG 3.38Å |
| 317 | K | 90.2 | Very high | 90.6 | Very high | 107 Ų | 107 | 58.4 Ų | 58.4 | 47% | 0.465 | 30% | 0.297 | S | S | . | . | I | π-helix | trans | -85.2 | -39.6 | -172.5 | -172.1 | 175 | 176.9 | -167.8 | 0 | 113.4 | L313 V314 K320 | L313-K317 WeakPolarHBondContact O-CB 3.49Å; L313-K317 PolarHBondContact O-N 3.3Å; V314-K317 PolarHBondContact O-N 3.37Å; K317-K320 WeakPolarHBondContact O-CE 3.18Å |
| 318 | Y | 90.9 | Very high | 90.7 | Very high | 60 Ų | 60 | 59 Ų | 59 | 24% | 0.235 | 30% | 0.295 | C | S | . | . | I | π-helix | trans | -114.4 | -39.4 | -169.1 | -61.8 | -81.5 | 0 | 0 | 0 | 113.5 | I295 T303 L305 F309 V314 | I295-Y318 HydrophobicContact CG2-CD1 4.26Å; I295-Y318 HydrophobicContact CG2-CG 4.12Å; T303-Y318 HydrophobicContact CG2-CE1 4.09Å; L305-Y318 HydrophobicContact CD2-CD2 3.84Å; L305-Y318 HydrophobicContact CD2-CE2 3.9Å; L305-Y318 HydrophobicContact CD2-CG 4.3Å; F309-Y318 HydrophobicContact CD2-CE2 4.2Å; F309-Y318 HydrophobicContact CE2-CE2 4.11Å; V314-Y318 HydrophobicContact CG1-CD2 4.22Å; V314-Y318 WeakPolarHBondContact O-CB 3.48Å; V314-Y318 PolarHBondContact O-N 3.33Å |
| 319 | W | 89.5 | Confident | 90.8 | Very high | 41 Ų | 41 | 55.4 Ų | 55.4 | 16% | 0.155 | 27% | 0.269 | C | S | . | . | I | π-helix | trans | -81.8 | -54.7 | -174.9 | -171 | -124.6 | 0 | 0 | 0 | 112.6 | I295 V314 S315 V321 K323 P324 M325 E326 | I295-W319 HydrophobicContact CD1-CB 4.24Å; I295-W319 HydrophobicContact CD1-CE3 4.28Å; V314-W319 PolarHBondContact O-N 2.88Å; S315-W319 PolarHBondContact O-N 3.09Å; W319-V321 PolarHBondContact NE1-O 2.9Å; W319-V321 WeakPolarHBondContact O-CG2 3.47Å; W319-V321 PolarHBondContact O-N 3.03Å; W319-K323 HydrophobicContact CZ2-CB 4.32Å; W319-K323 PolarHBondContact NE1-O 3.07Å; W319-P324 VanDerWaalsContact CZ2-O 3.28Å; W319-P324 WeakPolarHBondContact CZ2-O 3.42Å; W319-M325 HydrophobicContact CB-CG 4.18Å; W319-M325 HydrophobicContact CB-SD 4.22Å; W319-M325 HydrophobicContact CD2-CG 4.18Å; W319-M325 HydrophobicContact CG-CB 4.34Å; W319-M325 HydrophobicContact CG-CG 3.99Å; W319-E326 HydrophobicContact CH2-CB 3.71Å; W319-E326 HydrophobicContact CH2-CG 3.58Å; W319-E326 HydrophobicContact CZ2-CG 4.15Å; W319-E326 HydrophobicContact CZ3-CB 3.93Å; W319-E326 HydrophobicContact CZ3-CG 4.33Å |
| 320 | K | 85.1 | Confident | 90.6 | Very high | 163 Ų | 163 | 53.5 Ų | 53.5 | 71% | 0.709 | 26% | 0.261 | S | S | * | . | trans | 53.6 | 22.1 | 175.9 | -60.2 | -179.9 | 179.2 | 174.9 | 0 | 115.3 | S315 E316 K317 | S315-K320 PolarHBondContact O-N 3.2Å; E316-K320 WeakPolarHBondContact O-CE 3.2Å; E316-K320 VanDerWaalsContact O-CG 3.27Å; E316-K320 WeakPolarHBondContact O-CG 3.38Å; K317-K320 WeakPolarHBondContact O-CE 3.18Å | ||
| 321 | V | 84.3 | Confident | 90.5 | Very high | 75 Ų | 75 | 55.1 Ų | 55.1 | 46% | 0.455 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -127.8 | 139.9 | -178.6 | 176.6 | 0 | 0 | 0 | 0 | 109.4 | W319 K323 | W319-V321 PolarHBondContact NE1-O 2.9Å; W319-V321 WeakPolarHBondContact O-CG2 3.47Å; W319-V321 PolarHBondContact O-N 3.03Å; V321-K323 HydrophobicContact CG1-CB 3.93Å; V321-K323 HydrophobicContact CG1-CD 4.04Å; V321-K323 HydrophobicContact CG1-CG 3.81Å; V321-K323 PolarHBondContact O-N 2.95Å |
| 322 | N | 81.4 | Confident | 90.1 | Very high | 90 Ų | 90 | 57.5 Ų | 57.5 | 48% | 0.481 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -83 | 59 | 176.6 | -161.8 | 17.2 | 0 | 0 | 0 | 111.7 | ||
| 323 | K | 86.4 | Confident | 89.4 | Confident | 153 Ų | 153 | 63.5 Ų | 63.5 | 67% | 0.665 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -138.8 | 159.2 | 176.3 | -71.5 | -175.6 | -179.8 | -177.4 | 0 | 108.8 | W319 V321 M325 | W319-K323 HydrophobicContact CZ2-CB 4.32Å; W319-K323 PolarHBondContact NE1-O 3.07Å; V321-K323 HydrophobicContact CG1-CB 3.93Å; V321-K323 HydrophobicContact CG1-CD 4.04Å; V321-K323 HydrophobicContact CG1-CG 3.81Å; V321-K323 PolarHBondContact O-N 2.95Å; K323-M325 PolarHBondContact O-N 3.04Å |
| 324 | P | 90.5 | Very high | 87.7 | Confident | 56 Ų | 56 | 67.2 Ų | 67.2 | 36% | 0.364 | 33% | 0.326 | S | S | . | . | trans | -49.5 | 129.8 | 172 | -28.3 | 36.1 | 0 | 0 | 0 | 111.1 | E227 V229 W319 E326 | E227-P324 HydrophobicContact CB-CB 4.22Å; E227-P324 HydrophobicContact CB-CG 4.4Å; E227-P324 CarbonylContact O-C 3.58Å; E227-P324 WeakPolarHBondContact O-CA 3.44Å; V229-P324 HydrophobicContact CG2-CB 4.04Å; W319-P324 VanDerWaalsContact CZ2-O 3.28Å; W319-P324 WeakPolarHBondContact CZ2-O 3.42Å; P324-E326 PolarHBondContact O-N 2.7Å | ||
| 325 | M | 92.7 | Very high | 85 | Confident | 2 Ų | 2 | 76.4 Ų | 76.4 | 1% | 0.01 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 123.8 | -172.7 | -176.5 | 168.1 | 55.6 | 0 | 0 | 110.3 | I226 E227 L228 V229 I295 L311 V314 W319 K323 L327 | I226-M325 HydrophobicContact CG2-CE 4.17Å; E227-M325 PolarHBondContact O-N 3.23Å; L228-M325 CarbonylContact C-O 3.47Å; L228-M325 WeakPolarHBondContact CA-O 3.33Å; L228-M325 HydrophobicContact CB-CB 4.31Å; L228-M325 VanDerWaalsContact CB-O 3.32Å; L228-M325 WeakPolarHBondContact CB-O 3.39Å; V229-M325 PolarHBondContact N-O 3.46Å; I295-M325 HydrophobicContact CD1-CG 4.24Å; I295-M325 HydrophobicContact CD1-SD 4.22Å; L311-M325 HydrophobicContact CB-CE 4.29Å; L311-M325 HydrophobicContact CD2-CE 4.19Å; V314-M325 HydrophobicContact CB-SD 4.29Å; V314-M325 HydrophobicContact CG1-CE 4.32Å; V314-M325 HydrophobicContact CG1-SD 3.66Å; W319-M325 HydrophobicContact CB-CG 4.18Å; W319-M325 HydrophobicContact CB-SD 4.22Å; W319-M325 HydrophobicContact CD2-CG 4.18Å; W319-M325 HydrophobicContact CG-CB 4.34Å; W319-M325 HydrophobicContact CG-CG 3.99Å; K323-M325 PolarHBondContact O-N 3.04Å; M325-L327 HydrophobicContact CE-CD1 4.03Å; M325-L327 HydrophobicContact CE-CD2 4.41Å; M325-L327 HydrophobicContact CE-CG 4.32Å; M325-L327 HydrophobicContact CG-CD2 4.09Å; M325-L327 HydrophobicContact CG-CG 4.21Å; M325-L327 HydrophobicContact SD-CD2 4.24Å |
| 326 | E | 94.6 | Very high | 82.1 | Confident | 56 Ų | 56 | 87.4 Ų | 87.4 | 26% | 0.262 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 112.3 | 178.6 | -61.5 | -169.8 | 167.1 | 0 | 0 | 110.6 | V229 R231 W319 P324 Y328 | V229-E326 HydrophobicContact CB-CG 4.37Å; V229-E326 WeakPolarHBondContact O-CA 3.4Å; R231-E326 IonicContact CZ-OE1 3.39Å; R231-E326 IonicContact CZ-OE2 2.7Å; R231-E326 IonicContact NH1-OE1 2.77Å; R231-E326 PolarHBondContact NH1-OE1 3.09Å; R231-E326 IonicContact NH1-OE2 3.67Å; R231-E326 PolarHBondContact NH1-OE2 3.17Å; R231-E326 VanDerWaalsContact NH2-CD 3.28Å; R231-E326 IonicContact NH2-OE1 3.47Å; R231-E326 PolarHBondContact NH2-OE1 3.48Å; R231-E326 IonicContact NH2-OE2 3.58Å; W319-E326 HydrophobicContact CH2-CB 3.71Å; W319-E326 HydrophobicContact CH2-CG 3.58Å; W319-E326 HydrophobicContact CZ2-CG 4.15Å; W319-E326 HydrophobicContact CZ3-CB 3.93Å; W319-E326 HydrophobicContact CZ3-CG 4.33Å; P324-E326 PolarHBondContact O-N 2.7Å; E326-Y328 HydrophobicContact CB-CE2 4.35Å; E326-Y328 PolarHBondContact OE2-OH 3.34Å |
| 327 | L | 95.5 | Very high | 81.7 | Confident | 0 Ų | 0 | 86.9 Ų | 86.9 | 0% | 0 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 152.8 | 176.8 | -64 | -177.1 | 0 | 0 | 0 | 110.4 | L228 V229 F230 R231 L259 I293 I295 L305 M325 | L228-L327 HydrophobicContact CD2-CD1 4.46Å; V229-L327 PolarHBondContact O-N 2.95Å; F230-L327 CarbonylContact C-O 3.6Å; F230-L327 WeakPolarHBondContact CA-O 3.2Å; F230-L327 HydrophobicContact CD2-CB 3.71Å; F230-L327 HydrophobicContact CE2-CB 3.96Å; R231-L327 PolarHBondContact N-O 3.16Å; L259-L327 HydrophobicContact CD1-CD1 3.43Å; L259-L327 VanDerWaalsContact CD1-CD1 3.43Å; I293-L327 HydrophobicContact CG2-CB 4.37Å; I293-L327 HydrophobicContact CG2-CD1 4.31Å; I295-L327 HydrophobicContact CB-CD2 4.06Å; I295-L327 HydrophobicContact CD1-CD2 3.96Å; I295-L327 HydrophobicContact CG1-CD2 4.17Å; L305-L327 HydrophobicContact CD1-CD2 3.76Å; M325-L327 HydrophobicContact CE-CD1 4.03Å; M325-L327 HydrophobicContact CE-CD2 4.41Å; M325-L327 HydrophobicContact CE-CG 4.32Å; M325-L327 HydrophobicContact CG-CD2 4.09Å; M325-L327 HydrophobicContact CG-CG 4.21Å; M325-L327 HydrophobicContact SD-CD2 4.24Å |
| 328 | Y | 95 | Very high | 81.3 | Confident | 27 Ų | 27 | 85.8 Ų | 85.8 | 11% | 0.106 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 147.9 | -179.5 | -59.7 | -99.4 | 0 | 0 | 0 | 110.1 | R231 I293 Y294 A296 F302 E326 | R231-Y328 HydrophobicContact CB-CD1 3.82Å; R231-Y328 HydrophobicContact CB-CE1 3.89Å; R231-Y328 PolarHBondContact NH1-OH 2.84Å; R231-Y328 VanDerWaalsContact NH1-OH 3.12Å; R231-Y328 CarbonylContact O-C 3.49Å; R231-Y328 WeakPolarHBondContact O-CA 3.17Å; I293-Y328 CarbonylContact C-O 3.55Å; I293-Y328 WeakPolarHBondContact CA-O 3.28Å; Y294-Y328 PolarHBondContact N-O 2.99Å; Y294-Y328 PolarHBondContact O-N 3.25Å; A296-Y328 HydrophobicContact CB-CE2 3.98Å; F302-Y328 HydrophobicContact CD1-CD2 4.04Å; F302-Y328 HydrophobicContact CD1-CG 4.13Å; F302-Y328 AromaticContact CE1-CD1 3.82Å; F302-Y328 HydrophobicContact CE1-CD1 3.82Å; F302-Y328 AromaticContact CE1-CD2 3.56Å; F302-Y328 HydrophobicContact CE1-CD2 3.56Å; F302-Y328 AromaticContact CE1-CE1 3.99Å; F302-Y328 HydrophobicContact CE1-CE1 3.99Å; F302-Y328 AromaticContact CE1-CE2 3.77Å; F302-Y328 HydrophobicContact CE1-CE2 3.77Å; F302-Y328 AromaticContact CE1-CG 3.61Å; F302-Y328 HydrophobicContact CE1-CG 3.61Å; F302-Y328 AromaticContact CE1-CZ 3.98Å; F302-Y328 HydrophobicContact CZ-CE1 4.45Å; E326-Y328 HydrophobicContact CB-CE2 4.35Å; E326-Y328 PolarHBondContact OE2-OH 3.34Å |
| 329 | Y | 93.9 | Very high | 80.7 | Confident | 3 Ų | 3 | 87.2 Ų | 87.2 | 1% | 0.012 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 149.1 | 177.7 | 60.7 | -94.8 | 0 | 0 | 0 | 111.7 | F230 R231 H233 M237 Q244 L263 Y291 T292 | F230-Y329 HydrophobicContact CD1-CD1 4.29Å; F230-Y329 AromaticContact CD2-CD1 3.66Å; F230-Y329 HydrophobicContact CD2-CD1 3.66Å; F230-Y329 HydrophobicContact CD2-CE1 4.46Å; F230-Y329 HydrophobicContact CE1-CD1 4.37Å; F230-Y329 AromaticContact CE2-CD1 3.74Å; F230-Y329 HydrophobicContact CE2-CD1 3.74Å; F230-Y329 HydrophobicContact CE2-CG 4.24Å; F230-Y329 AromaticContact CG-CD1 3.96Å; F230-Y329 HydrophobicContact CG-CD1 3.96Å; F230-Y329 HydrophobicContact CG-CE1 4.38Å; F230-Y329 HydrophobicContact CZ-CD1 4.12Å; F230-Y329 HydrophobicContact CZ-CG 4.45Å; R231-Y329 WeakPolarHBondContact O-CD1 3.12Å; R231-Y329 WeakPolarHBondContact O-CE1 3.34Å; R231-Y329 PolarHBondContact O-N 3.37Å; H233-Y329 VanDerWaalsContact CB-O 3.32Å; H233-Y329 WeakPolarHBondContact CB-O 3.42Å; H233-Y329 PolarHBondContact N-O 3.19Å; M237-Y329 HydrophobicContact CE-CD2 4.45Å; M237-Y329 HydrophobicContact CE-CE2 3.87Å; M237-Y329 HydrophobicContact SD-CD2 3.68Å; M237-Y329 HydrophobicContact SD-CE2 3.54Å; M237-Y329 VanDerWaalsContact SD-CE2 3.54Å; Q244-Y329 PolarHBondContact O-OH 2.85Å; L263-Y329 HydrophobicContact CD1-CD1 4.46Å; L263-Y329 HydrophobicContact CD1-CE1 4.22Å; L263-Y329 HydrophobicContact CD1-CE2 4.28Å; L263-Y329 HydrophobicContact CD2-CD1 3.82Å; L263-Y329 HydrophobicContact CD2-CD2 3.35Å; L263-Y329 HydrophobicContact CD2-CE1 4.32Å; L263-Y329 HydrophobicContact CD2-CE2 3.88Å; L263-Y329 HydrophobicContact CD2-CG 3.3Å; L263-Y329 HydrophobicContact CG-CD2 4.5Å; Y291-Y329 HydrophobicContact CD1-CD2 4.17Å; Y291-Y329 HydrophobicContact CE1-CD2 4.42Å; T292-Y329 WeakPolarHBondContact O-CA 3.48Å |
| 330 | A | 91.8 | Very high | 80.2 | Confident | 2 Ų | 2 | 89.9 Ų | 89.9 | 2% | 0.017 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 151.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | H233 L236 M237 Y291 T292 Y294 T332 | H233-A330 HydrophobicContact CB-CB 3.98Å; L236-A330 HydrophobicContact CB-CB 3.77Å; L236-A330 HydrophobicContact CD1-CB 4.03Å; M237-A330 HydrophobicContact CG-CB 4.49Å; Y291-A330 WeakPolarHBondContact CA-O 3.36Å; T292-A330 PolarHBondContact N-O 3.18Å; T292-A330 PolarHBondContact O-N 3.42Å; Y294-A330 HydrophobicContact CE2-CB 3.85Å; A330-T332 PolarHBondContact O-N 3.04Å |
| 331 | P | 90 | Very high | 79.9 | Confident | 69 Ų | 69 | 85.4 Ų | 85.4 | 45% | 0.448 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56 | 133.7 | 171.7 | -22.9 | 33.2 | 0 | 0 | 0 | 110.8 | Q290 Y291 K333 | Q290-P331 WeakPolarHBondContact O-CA 3.43Å; Y291-P331 HydrophobicContact CE1-CG 4.2Å; P331-K333 PolarHBondContact O-N 3.09Å |
| 332 | T | 86.5 | Confident | 79.6 | Confident | 49 Ų | 49 | 86.1 Ų | 86.1 | 30% | 0.301 | 41% | 0.412 | S | S | . | . | trans | -66.7 | 121 | 177 | -56.1 | 0 | 0 | 0 | 0 | 109.1 | K289 Q290 Y291 T292 A330 E334 | K289-T332 WeakPolarHBondContact O-CB 3.38Å; K289-T332 PolarHBondContact O-OG1 2.95Å; Q290-T332 PolarHBondContact O-N 2.69Å; Q290-T332 PolarHBondContact O-OG1 3.5Å; Y291-T332 VanDerWaalsContact C-OG1 3.24Å; Y291-T332 PolarHBondContact N-OG1 3.28Å; T292-T332 PolarHBondContact N-OG1 2.96Å; T292-T332 PolarHBondContact OG1-OG1 2.88Å; A330-T332 PolarHBondContact O-N 3.04Å; T332-E334 HydrophobicContact CG2-CG 4.49Å; T332-E334 PolarHBondContact O-N 3.07Å; T332-E334 VanDerWaalsContact O-N 3.11Å | ||
| 333 | K | 74.4 | Confident | 79.5 | Confident | 174 Ų | 174 | 85.8 Ų | 85.8 | 76% | 0.757 | 41% | 0.407 | S | S | * | . | trans | -78.9 | 91.5 | 168.9 | -63.4 | -176.6 | -177.3 | -177.7 | 0 | 107.3 | P331 H335 | P331-K333 PolarHBondContact O-N 3.09Å; K333-H335 PolarHBondContact O-N 3.39Å | ||
| 334 | E | 57.3 | Low | 79 | Confident | 149 Ų | 149 | 80.6 Ų | 80.6 | 70% | 0.696 | 39% | 0.387 | S | S | * | . | trans | -60 | 123 | 168.7 | -71.6 | -170 | 158.3 | 0 | 0 | 108.3 | T332 K336 | T332-E334 HydrophobicContact CG2-CG 4.49Å; T332-E334 PolarHBondContact O-N 3.07Å; T332-E334 VanDerWaalsContact O-N 3.11Å; E334-K336 PolarHBondContact O-N 3.05Å | ||
| 335 | H | 36.1 | Very low | 78 | Confident | 193 Ų | 193 | 82.7 Ų | 82.7 | 89% | 0.894 | 39% | 0.389 | S | S | * | . | trans | -54.8 | 110.8 | 163.5 | -94.2 | -88.8 | 0 | 0 | 0 | 107.1 | K333 | K333-H335 PolarHBondContact O-N 3.39Š| ||
| 336 | K | 28.4 | Very low | 76.7 | Confident | 268 Ų | 268 | 90 Ų | 90 | 100% | 1.165 | 42% | 0.423 | S | S | * | . | trans | -63.8 | 0 | 160.5 | -152.9 | -178.4 | -171.1 | -178.6 | 0 | 109.9 | E334 | E334-K336 PolarHBondContact O-N 3.05Š|
Retrieved 336 of 336 residues in 257.6 ms
(Link to these results)