| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.2 | Very low | 43.8 | Very low | 238 Ų | 238 | 164.4 Ų | 164.4 | 100% | 1.172 | 87% | 0.865 | S | S | * | * | 0 | 102.1 | 0 | -65.2 | 175.6 | -177.8 | 0 | 0 | 107.3 | L3 | M1-L3 PolarHBondContact O-N 3.43Š| |||
| 2 | V | 40.9 | Very low | 44.1 | Very low | 141 Ų | 141 | 158.2 Ų | 158.2 | 86% | 0.855 | 83% | 0.828 | S | S | * | * | trans | -82.8 | 113.6 | -179 | 177.5 | 0 | 0 | 0 | 0 | 107.4 | E4 | V2-E4 PolarHBondContact O-N 3.39Š| ||
| 3 | L | 40.5 | Very low | 44.2 | Very low | 167 Ų | 167 | 154.8 Ų | 154.8 | 87% | 0.874 | 84% | 0.837 | S | S | * | * | trans | -67.6 | 97.9 | 174.8 | -77.7 | 150.8 | 0 | 0 | 0 | 108.9 | M1 K5 | M1-L3 PolarHBondContact O-N 3.43Å; L3-K5 PolarHBondContact O-N 2.55Å | ||
| 4 | E | 41.5 | Very low | 44.4 | Very low | 180 Ų | 180 | 148.9 Ų | 148.9 | 84% | 0.841 | 83% | 0.83 | S | S | * | * | trans | -62 | 106.3 | 163.5 | -81.5 | 178.5 | 100.3 | 0 | 0 | 108.6 | V2 K6 | V2-E4 PolarHBondContact O-N 3.39Å; E4-K6 VanDerWaalsContact C-N 3.3Å; E4-K6 PolarHBondContact O-N 3.08Å | ||
| 5 | K | 41.4 | Very low | 45.1 | Very low | 202 Ų | 202 | 148.5 Ų | 148.5 | 88% | 0.878 | 82% | 0.819 | S | S | * | * | trans | -62.5 | 94.2 | 166.6 | -85.8 | 173.2 | 171.6 | 174.2 | 0 | 108.2 | L3 S7 | L3-K5 PolarHBondContact O-N 2.55Å; K5-S7 PolarHBondContact O-N 2.97Å | ||
| 6 | K | 47.5 | Very low | 46.2 | Very low | 197 Ų | 197 | 145.8 Ų | 145.8 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | trans | -58.1 | 104.7 | 161.9 | -93.5 | 158.8 | 171.9 | 165.9 | 0 | 107.7 | E4 S8 | E4-K6 VanDerWaalsContact C-N 3.3Å; E4-K6 PolarHBondContact O-N 3.08Å; K6-S8 PolarHBondContact O-N 3.28Å | ||
| 7 | S | 42.6 | Very low | 47.7 | Very low | 106 Ų | 106 | 149.2 Ų | 149.2 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | trans | -63.5 | 119.2 | 169.3 | 45.2 | 0 | 0 | 0 | 0 | 108.3 | K5 A9 | K5-S7 PolarHBondContact O-N 2.97Å; S7-A9 PolarHBondContact O-N 3.33Å; S7-A9 VanDerWaalsContact O-N 3.15Å | ||
| 8 | S | 44.8 | Very low | 49.1 | Very low | 109 Ų | 109 | 146.7 Ų | 146.7 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | -52.7 | 115.4 | -176.3 | -59.2 | 0 | 0 | 0 | 0 | 111.6 | K6 R10 | K6-S8 PolarHBondContact O-N 3.28Å; S8-R10 PolarHBondContact O-N 3.09Å | ||
| 9 | A | 52.1 | Low | 50.5 | Low | 111 Ų | 111 | 140.3 Ų | 140.3 | 92% | 0.917 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 25.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | S7 | S7-A9 PolarHBondContact O-N 3.33Å; S7-A9 VanDerWaalsContact O-N 3.15Å |
| 10 | R | 44 | Very low | 52.2 | Low | 238 Ų | 238 | 137.5 Ų | 137.5 | 90% | 0.898 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.9 | 13.4 | -167.2 | -142.6 | 176.9 | -174.3 | 169.4 | 1.5 | 116.1 | S8 | S8-R10 PolarHBondContact O-N 3.09Š|
| 11 | V | 49.2 | Very low | 53.5 | Low | 119 Ų | 119 | 136.2 Ų | 136.2 | 72% | 0.721 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -119.8 | 121.4 | 170.5 | -165.6 | 0 | 0 | 0 | 0 | 108 | ||
| 12 | E | 47.3 | Very low | 55.8 | Low | 90 Ų | 90 | 126.8 Ų | 126.8 | 42% | 0.421 | 68% | 0.683 | S | S | . | * | trans | 91.3 | 41.3 | 168.6 | -46.6 | -147.7 | 147.4 | 0 | 0 | 121 | G14 Q15 R16 | E12-G14 PolarHBondContact O-N 3.15Å; E12-Q15 PolarHBondContact OE1-OE1 2.92Å; E12-R16 IonicContact OE2-NE 3.72Å; E12-R16 IonicContact OE2-NH2 3.51Å | ||
| 13 | A | 45.3 | Very low | 57.8 | Low | 114 Ų | 114 | 122 Ų | 122 | 94% | 0.942 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -70.7 | -14.9 | 161.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 14 | G | 47.2 | Very low | 59.8 | Low | 72 Ų | 72 | 116.2 Ų | 116.2 | 74% | 0.742 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -99.8 | -11.7 | -169.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | E12 | E12-G14 PolarHBondContact O-N 3.15Š|
| 15 | Q | 54.5 | Low | 61.8 | Low | 143 Ų | 143 | 112.9 Ų | 112.9 | 67% | 0.668 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -115.4 | -1 | -169.5 | -79.3 | 178.9 | -27.8 | 0 | 0 | 115.2 | E12 R17 | E12-Q15 PolarHBondContact OE1-OE1 2.92Å; Q15-R17 VanDerWaalsContact C-N 3.31Å; Q15-R17 PolarHBondContact O-N 3.33Å; Q15-R17 VanDerWaalsContact O-N 3.09Å |
| 16 | R | 62.9 | Low | 63.9 | Low | 105 Ų | 105 | 112.1 Ų | 112.1 | 40% | 0.396 | 60% | 0.597 | S | S | . | * | trans | -94.1 | 62.4 | -173.5 | -62.1 | 179.6 | -176.3 | -168 | 1.1 | 111.1 | E12 V18 | E12-R16 IonicContact OE2-NE 3.72Å; E12-R16 IonicContact OE2-NH2 3.51Å; R16-V18 PolarHBondContact O-N 3.48Å | ||
| 17 | R | 71.4 | Confident | 65.7 | Low | 205 Ų | 205 | 106.1 Ų | 106.1 | 77% | 0.774 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 124.6 | 170.8 | -68.5 | -173.8 | -178.1 | -169.6 | 0.7 | 108.6 | Q15 L19 | Q15-R17 VanDerWaalsContact C-N 3.31Å; Q15-R17 PolarHBondContact O-N 3.33Å; Q15-R17 VanDerWaalsContact O-N 3.09Å; R17-L19 PolarHBondContact O-N 2.95Å |
| 18 | V | 73.5 | Confident | 67.6 | Low | 103 Ų | 103 | 105.5 Ų | 105.5 | 62% | 0.624 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 116.9 | 168.3 | -179.1 | 0 | 0 | 0 | 0 | 106.3 | R16 | R16-V18 PolarHBondContact O-N 3.48Š|
| 19 | L | 76.1 | Confident | 69.5 | Low | 26 Ų | 26 | 103.7 Ų | 103.7 | 14% | 0.136 | 54% | 0.541 | C | S | . | . | P | Polyproline II helix | trans | -80.9 | 144.5 | 172.3 | -62.4 | 179.8 | 0 | 0 | 0 | 108.8 | R17 T23 R24 T132 L152 | R17-L19 PolarHBondContact O-N 2.95Å; L19-T23 HydrophobicContact CD1-CG2 4.35Å; L19-T23 HydrophobicContact CD2-CG2 4.02Å; L19-R24 HydrophobicContact CB-CG 4.17Å; L19-R24 PolarHBondContact O-NH1 3.19Å; L19-R24 PolarHBondContact O-NH2 3.34Å; L19-T132 WeakPolarHBondContact CD1-O 3.01Å; L19-T132 WeakPolarHBondContact CG-O 3.47Å; L19-L152 HydrophobicContact CD1-CD2 4.39Å |
| 20 | D | 83.2 | Confident | 71.2 | Confident | 84 Ų | 84 | 104.6 Ų | 104.6 | 45% | 0.449 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 165.1 | 167.3 | 64.8 | -62.3 | 0 | 0 | 0 | 110.5 | A22 T23 R24 | D20-A22 PolarHBondContact O-N 3.4Å; D20-A22 WeakPolarHBondContact OD2-CB 3.44Å; D20-A22 PolarHBondContact OD2-N 3.46Å; D20-T23 PolarHBondContact O-N 3.39Å; D20-T23 WeakPolarHBondContact OD1-CB 3.03Å; D20-T23 PolarHBondContact OD1-OG1 3.33Å; D20-T23 PolarHBondContact OD2-N 3.48Å; D20-T23 VanDerWaalsContact OD2-N 3.08Å; D20-T23 PolarHBondContact OD2-OG1 3.44Å; D20-R24 PolarHBondContact O-N 3.27Å |
| 21 | E | 80.6 | Confident | 73 | Confident | 110 Ų | 110 | 95.4 Ų | 95.4 | 51% | 0.514 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.7 | -37.1 | -175.6 | -167.3 | 57 | -156.8 | 0 | 0 | 112.7 | T23 R24 Q25 | E21-T23 PolarHBondContact O-N 2.73Å; E21-R24 WeakPolarHBondContact O-CB 3.41Å; E21-R24 PolarHBondContact O-N 3.04Å; E21-R24 IonicContact OE2-CZ 3.95Å; E21-R24 IonicContact OE2-NE 3.04Å; E21-R24 PolarHBondContact OE2-NE 2.87Å; E21-R24 IonicContact OE2-NH2 3.96Å; E21-Q25 WeakPolarHBondContact O-CG 3.42Å; E21-Q25 PolarHBondContact O-N 2.79Å |
| 22 | A | 85.8 | Confident | 74.6 | Confident | 41 Ų | 41 | 94.1 Ų | 94.1 | 34% | 0.339 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.7 | -41.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | D20 R24 Q25 R26 | D20-A22 PolarHBondContact O-N 3.4Å; D20-A22 WeakPolarHBondContact OD2-CB 3.44Å; D20-A22 PolarHBondContact OD2-N 3.46Å; A22-R24 VanDerWaalsContact C-N 3.32Å; A22-R24 PolarHBondContact O-N 2.98Å; A22-Q25 PolarHBondContact O-N 3.07Å; A22-R26 VanDerWaalsContact O-CG 3.31Å; A22-R26 WeakPolarHBondContact O-CG 3.49Å; A22-R26 PolarHBondContact O-N 3.18Å |
| 23 | T | 83.3 | Confident | 76.4 | Confident | 39 Ų | 39 | 94.2 Ų | 94.2 | 24% | 0.239 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -64.4 | -36.2 | 173.9 | -61.6 | 0 | 0 | 0 | 0 | 112.5 | L19 D20 E21 R27 | L19-T23 HydrophobicContact CD1-CG2 4.35Å; L19-T23 HydrophobicContact CD2-CG2 4.02Å; D20-T23 PolarHBondContact O-N 3.39Å; D20-T23 WeakPolarHBondContact OD1-CB 3.03Å; D20-T23 PolarHBondContact OD1-OG1 3.33Å; D20-T23 PolarHBondContact OD2-N 3.48Å; D20-T23 VanDerWaalsContact OD2-N 3.08Å; D20-T23 PolarHBondContact OD2-OG1 3.44Å; E21-T23 PolarHBondContact O-N 2.73Å; T23-R27 WeakPolarHBondContact O-CG 3.32Å; T23-R27 PolarHBondContact O-N 2.96Å |
| 24 | R | 82.5 | Confident | 78.3 | Confident | 47 Ų | 47 | 91 Ų | 91 | 18% | 0.177 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -62.3 | -47.8 | 173.4 | -76.3 | -170.2 | -103.5 | -86.3 | -1 | 111.9 | L19 D20 E21 A22 R27 L28 T131 T132 C133 | L19-R24 HydrophobicContact CB-CG 4.17Å; L19-R24 PolarHBondContact O-NH1 3.19Å; L19-R24 PolarHBondContact O-NH2 3.34Å; D20-R24 PolarHBondContact O-N 3.27Å; E21-R24 WeakPolarHBondContact O-CB 3.41Å; E21-R24 PolarHBondContact O-N 3.04Å; E21-R24 IonicContact OE2-CZ 3.95Å; E21-R24 IonicContact OE2-NE 3.04Å; E21-R24 PolarHBondContact OE2-NE 2.87Å; E21-R24 IonicContact OE2-NH2 3.96Å; A22-R24 VanDerWaalsContact C-N 3.32Å; A22-R24 PolarHBondContact O-N 2.98Å; R24-R27 PolarHBondContact O-N 3.02Å; R24-L28 PolarHBondContact O-N 2.98Å; R24-T131 PolarHBondContact NH1-O 2.65Å; R24-T132 PolarHBondContact NH1-O 2.96Å; R24-C133 WeakPolarHBondContact CD-O 3.31Å |
| 25 | Q | 83.3 | Confident | 80 | Confident | 110 Ų | 110 | 91.8 Ų | 91.8 | 51% | 0.514 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.5 | -46.3 | 178.3 | -72 | 178.4 | -11.7 | 0 | 0 | 111.8 | E21 A22 R27 L28 T29 | E21-Q25 WeakPolarHBondContact O-CG 3.42Å; E21-Q25 PolarHBondContact O-N 2.79Å; A22-Q25 PolarHBondContact O-N 3.07Å; Q25-R27 VanDerWaalsContact C-N 3.28Å; Q25-R27 PolarHBondContact O-N 2.87Å; Q25-L28 WeakPolarHBondContact O-CB 3.37Å; Q25-L28 PolarHBondContact O-N 2.93Å; Q25-L28 VanDerWaalsContact O-N 3.09Å; Q25-T29 PolarHBondContact O-N 3.4Å; Q25-T29 PolarHBondContact O-OG1 3.19Å |
| 26 | R | 85.9 | Confident | 81.2 | Confident | 185 Ų | 185 | 90.6 Ų | 90.6 | 70% | 0.698 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -57.2 | -40.7 | 177.1 | -72.2 | 174 | -172 | -179.7 | 2.8 | 112.8 | A22 R30 | A22-R26 VanDerWaalsContact O-CG 3.31Å; A22-R26 WeakPolarHBondContact O-CG 3.49Å; A22-R26 PolarHBondContact O-N 3.18Å; R26-R30 WeakPolarHBondContact O-CB 3.47Å; R26-R30 PolarHBondContact O-N 3.24Å; R26-R30 VanDerWaalsContact O-N 3.08Å |
| 27 | R | 83.4 | Confident | 81.9 | Confident | 71 Ų | 71 | 92.5 Ų | 92.5 | 27% | 0.268 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66.9 | -40.7 | 176.7 | -73.4 | 173.6 | 177.7 | -111.9 | 5 | 112 | T23 R24 Q25 R30 Q31 T155 | T23-R27 WeakPolarHBondContact O-CG 3.32Å; T23-R27 PolarHBondContact O-N 2.96Å; R24-R27 PolarHBondContact O-N 3.02Å; Q25-R27 VanDerWaalsContact C-N 3.28Å; Q25-R27 PolarHBondContact O-N 2.87Å; R27-R30 PolarHBondContact O-N 2.87Å; R27-Q31 PolarHBondContact O-N 3.45Å; R27-T155 PolarHBondContact NH1-O 3.19Å |
| 28 | L | 82.6 | Confident | 82 | Confident | 93 Ų | 93 | 88.3 Ų | 88.3 | 49% | 0.487 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.3 | -49.4 | 175.3 | -175.6 | 81.3 | 0 | 0 | 0 | 110.9 | R24 Q25 R30 Q31 L32 | R24-L28 PolarHBondContact O-N 2.98Å; Q25-L28 WeakPolarHBondContact O-CB 3.37Å; Q25-L28 PolarHBondContact O-N 2.93Å; Q25-L28 VanDerWaalsContact O-N 3.09Å; L28-R30 PolarHBondContact O-N 3.09Å; L28-Q31 WeakPolarHBondContact O-CB 3.44Å; L28-Q31 PolarHBondContact O-N 3.32Å; L28-Q31 VanDerWaalsContact O-N 3.13Å; L28-L32 PolarHBondContact O-N 3.09Å |
| 29 | T | 86.6 | Confident | 81.8 | Confident | 71 Ų | 71 | 89.8 Ų | 89.8 | 44% | 0.436 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -58.9 | -46.9 | 178.8 | -52.5 | 0 | 0 | 0 | 0 | 111.5 | Q25 Q31 L32 E33 | Q25-T29 PolarHBondContact O-N 3.4Å; Q25-T29 PolarHBondContact O-OG1 3.19Å; T29-Q31 PolarHBondContact O-N 3.04Å; T29-L32 WeakPolarHBondContact O-CB 3.36Å; T29-L32 PolarHBondContact O-N 3.28Å; T29-L32 VanDerWaalsContact O-N 3.09Å; T29-E33 WeakPolarHBondContact O-CG 3.25Å; T29-E33 PolarHBondContact O-N 3.27Å |
| 30 | R | 86 | Confident | 81.1 | Confident | 131 Ų | 131 | 94.2 Ų | 94.2 | 49% | 0.494 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.9 | -34.5 | 176.9 | 176.4 | 169.8 | 156.3 | -97.4 | -4.9 | 113 | R26 R27 L28 A34 L156 | R26-R30 WeakPolarHBondContact O-CB 3.47Å; R26-R30 PolarHBondContact O-N 3.24Å; R26-R30 VanDerWaalsContact O-N 3.08Å; R27-R30 PolarHBondContact O-N 2.87Å; L28-R30 PolarHBondContact O-N 3.09Å; R30-A34 WeakPolarHBondContact O-CB 3.42Å; R30-A34 PolarHBondContact O-N 2.94Å; R30-L156 PolarHBondContact NH1-OXT 3.13Å; R30-L156 PolarHBondContact NH2-OXT 3.01Å |
| 31 | Q | 82.1 | Confident | 80.1 | Confident | 45 Ų | 45 | 98 Ų | 98 | 21% | 0.21 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -68.2 | -44.7 | 174.5 | -173.4 | -166.1 | -2.6 | 0 | 0 | 111.3 | R27 L28 T29 E33 A34 L35 W154 | R27-Q31 PolarHBondContact O-N 3.45Å; L28-Q31 WeakPolarHBondContact O-CB 3.44Å; L28-Q31 PolarHBondContact O-N 3.32Å; L28-Q31 VanDerWaalsContact O-N 3.13Å; T29-Q31 PolarHBondContact O-N 3.04Å; Q31-E33 VanDerWaalsContact C-N 3.31Å; Q31-E33 PolarHBondContact O-N 3.49Å; Q31-A34 PolarHBondContact O-N 3.13Å; Q31-A34 VanDerWaalsContact O-N 3.16Å; Q31-L35 HydrophobicContact CG-CD1 4.39Å; Q31-L35 WeakPolarHBondContact O-CG 3.47Å; Q31-L35 PolarHBondContact O-N 2.99Å; Q31-W154 VanDerWaalsContact CG-O 3.22Å; Q31-W154 WeakPolarHBondContact CG-O 3.25Å; Q31-W154 PolarHBondContact NE2-O 3.39Å; Q31-W154 VanDerWaalsContact NE2-O 3.16Å; Q31-W154 PolarHBondContact OE1-O 3.21Å |
| 32 | L | 84.4 | Confident | 79 | Confident | 91 Ų | 91 | 98.8 Ų | 98.8 | 48% | 0.476 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.1 | -45 | 176.3 | -67.3 | 174.3 | 0 | 0 | 0 | 110.8 | L28 T29 A34 L35 E36 | L28-L32 PolarHBondContact O-N 3.09Å; T29-L32 WeakPolarHBondContact O-CB 3.36Å; T29-L32 PolarHBondContact O-N 3.28Å; T29-L32 VanDerWaalsContact O-N 3.09Å; L32-A34 VanDerWaalsContact C-N 3.3Å; L32-A34 PolarHBondContact O-N 3.23Å; L32-L35 PolarHBondContact O-N 3.14Å; L32-E36 WeakPolarHBondContact O-CB 3.37Å; L32-E36 WeakPolarHBondContact O-CG 3.06Å; L32-E36 PolarHBondContact O-N 3.42Å |
| 33 | E | 85.1 | Confident | 77.8 | Confident | 92 Ų | 92 | 101.2 Ų | 101.2 | 43% | 0.43 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.5 | -37 | 175 | -70.8 | 173.1 | -167 | 0 | 0 | 112.9 | T29 Q31 K37 | T29-E33 WeakPolarHBondContact O-CG 3.25Å; T29-E33 PolarHBondContact O-N 3.27Å; Q31-E33 VanDerWaalsContact C-N 3.31Å; Q31-E33 PolarHBondContact O-N 3.49Å; E33-K37 VanDerWaalsContact O-CG 3.29Å; E33-K37 WeakPolarHBondContact O-CG 3.31Å; E33-K37 PolarHBondContact O-N 3.33Å |
| 34 | A | 83.9 | Confident | 76.7 | Confident | 46 Ų | 46 | 104.4 Ų | 104.4 | 38% | 0.38 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.5 | -44 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | R30 Q31 L32 E36 K37 D38 | R30-A34 WeakPolarHBondContact O-CB 3.42Å; R30-A34 PolarHBondContact O-N 2.94Å; Q31-A34 PolarHBondContact O-N 3.13Å; Q31-A34 VanDerWaalsContact O-N 3.16Å; L32-A34 VanDerWaalsContact C-N 3.3Å; L32-A34 PolarHBondContact O-N 3.23Å; A34-E36 VanDerWaalsContact C-N 3.3Å; A34-E36 PolarHBondContact O-N 3.16Å; A34-K37 PolarHBondContact O-N 3.48Å; A34-D38 PolarHBondContact O-N 3.24Å |
| 35 | L | 83.3 | Confident | 75.7 | Confident | 89 Ų | 89 | 107.4 Ų | 107.4 | 47% | 0.466 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.7 | -37 | 174.9 | -69.1 | 173.8 | 0 | 0 | 0 | 111.8 | Q31 L32 D38 N39 | Q31-L35 HydrophobicContact CG-CD1 4.39Å; Q31-L35 WeakPolarHBondContact O-CG 3.47Å; Q31-L35 PolarHBondContact O-N 2.99Å; L32-L35 PolarHBondContact O-N 3.14Å; L35-D38 PolarHBondContact O-N 3.46Å; L35-N39 PolarHBondContact O-N 2.89Å; L35-N39 PolarHBondContact O-ND2 2.95Å |
| 36 | E | 78.9 | Confident | 74.6 | Confident | 118 Ų | 118 | 105.9 Ų | 105.9 | 55% | 0.551 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.7 | -48.3 | 172.6 | -77.1 | 173.2 | -177.7 | 0 | 0 | 110.5 | L32 A34 D38 N39 F40 | L32-E36 WeakPolarHBondContact O-CB 3.37Å; L32-E36 WeakPolarHBondContact O-CG 3.06Å; L32-E36 PolarHBondContact O-N 3.42Å; A34-E36 VanDerWaalsContact C-N 3.3Å; A34-E36 PolarHBondContact O-N 3.16Å; E36-D38 VanDerWaalsContact C-N 3.34Å; E36-D38 PolarHBondContact O-N 3.08Å; E36-N39 WeakPolarHBondContact O-CB 3.49Å; E36-N39 PolarHBondContact O-N 3.06Å; E36-F40 WeakPolarHBondContact O-CD2 3.28Å |
| 37 | K | 77.6 | Confident | 73.4 | Confident | 145 Ų | 145 | 102 Ų | 102 | 63% | 0.63 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.2 | -39.1 | 177.3 | -74.2 | 168.8 | -176.1 | 170.6 | 0 | 113.5 | E33 A34 N39 F40 | E33-K37 VanDerWaalsContact O-CG 3.29Å; E33-K37 WeakPolarHBondContact O-CG 3.31Å; E33-K37 PolarHBondContact O-N 3.33Å; A34-K37 PolarHBondContact O-N 3.48Å; K37-N39 PolarHBondContact O-N 3.26Å; K37-F40 PolarHBondContact O-N 2.75Å |
| 38 | D | 73.4 | Confident | 72.2 | Confident | 118 Ų | 118 | 103.2 Ų | 103.2 | 63% | 0.631 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66 | -25.2 | 179.5 | -79.9 | -6.4 | 0 | 0 | 0 | 113 | A34 L35 E36 F40 | A34-D38 PolarHBondContact O-N 3.24Å; L35-D38 PolarHBondContact O-N 3.46Å; E36-D38 VanDerWaalsContact C-N 3.34Å; E36-D38 PolarHBondContact O-N 3.08Å; D38-F40 VanDerWaalsContact C-N 3.27Å; D38-F40 PolarHBondContact O-N 3.06Å |
| 39 | N | 69.1 | Low | 71.1 | Confident | 134 Ų | 134 | 103.9 Ų | 103.9 | 72% | 0.717 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -71.2 | -22.8 | 173.1 | -74.3 | -63.3 | 0 | 0 | 0 | 112.7 | L35 E36 K37 | L35-N39 PolarHBondContact O-N 2.89Å; L35-N39 PolarHBondContact O-ND2 2.95Å; E36-N39 WeakPolarHBondContact O-CB 3.49Å; E36-N39 PolarHBondContact O-N 3.06Å; K37-N39 PolarHBondContact O-N 3.26Å |
| 40 | F | 61.5 | Low | 69.8 | Low | 118 Ų | 118 | 104.3 Ų | 104.3 | 52% | 0.518 | 56% | 0.557 | S | S | . | * | trans | -103.9 | 74.4 | -177.5 | -64.2 | -77.8 | 0 | 0 | 0 | 111 | E36 K37 D38 T87 | E36-F40 WeakPolarHBondContact O-CD2 3.28Å; K37-F40 PolarHBondContact O-N 2.75Å; D38-F40 VanDerWaalsContact C-N 3.27Å; D38-F40 PolarHBondContact O-N 3.06Å; F40-T87 WeakPolarHBondContact CE1-OG1 3.4Å | ||
| 41 | Q | 62.4 | Low | 68.2 | Low | 164 Ų | 164 | 103.2 Ų | 103.2 | 77% | 0.766 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -91 | 124.1 | 156.1 | -59.4 | -143.3 | -8.6 | 0 | 0 | 108.3 | D43 | Q41-D43 PolarHBondContact O-N 2.88Š|
| 42 | D | 58.2 | Low | 66.9 | Low | 126 Ų | 126 | 102.9 Ų | 102.9 | 67% | 0.674 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 130.1 | 165 | -104.1 | -64.5 | 0 | 0 | 0 | 107.9 | P44 | D42-P44 VanDerWaalsContact O-CD 3.23Å; D42-P44 WeakPolarHBondContact O-CD 3.45Å |
| 43 | D | 60.1 | Low | 65.6 | Low | 92 Ų | 92 | 105.7 Ų | 105.7 | 49% | 0.492 | 60% | 0.599 | S | S | . | * | P | Polyproline II helix | trans | -52 | 116.8 | 176.2 | 175.9 | 4 | 0 | 0 | 0 | 107.3 | Q41 L45 S46 | Q41-D43 PolarHBondContact O-N 2.88Å; D43-L45 PolarHBondContact O-N 3.49Å; D43-L45 WeakPolarHBondContact OD1-CB 3.4Å; D43-L45 PolarHBondContact OD1-N 3.01Å; D43-S46 WeakPolarHBondContact O-CB 3.46Å; D43-S46 PolarHBondContact O-N 3.39Å |
| 44 | P | 60.4 | Low | 64.1 | Low | 106 Ų | 106 | 107.1 Ų | 107.1 | 69% | 0.688 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -11.6 | -178.4 | 21.8 | -31.2 | 0 | 0 | 0 | 112.4 | D42 | D42-P44 VanDerWaalsContact O-CD 3.23Å; D42-P44 WeakPolarHBondContact O-CD 3.45Å |
| 45 | L | 61 | Low | 62.7 | Low | 110 Ų | 110 | 107.7 Ų | 107.7 | 58% | 0.576 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -6.2 | 173.1 | -53.7 | 173.1 | 0 | 0 | 0 | 113.5 | D43 S47 L48 | D43-L45 PolarHBondContact O-N 3.49Å; D43-L45 WeakPolarHBondContact OD1-CB 3.4Å; D43-L45 PolarHBondContact OD1-N 3.01Å; L45-S47 VanDerWaalsContact C-N 3.31Å; L45-S47 PolarHBondContact O-N 3.4Å; L45-L48 HydrophobicContact CD2-CD1 3.48Å; L45-L48 VanDerWaalsContact CD2-CD1 3.48Å; L45-L48 PolarHBondContact O-N 3.3Å; L45-L48 VanDerWaalsContact O-N 3.12Å |
| 46 | S | 61.5 | Low | 61.3 | Low | 78 Ų | 78 | 114.9 Ų | 114.9 | 55% | 0.545 | 64% | 0.64 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.9 | -36.4 | 179.3 | -174.8 | 0 | 0 | 0 | 0 | 112.2 | D43 L48 | D43-S46 WeakPolarHBondContact O-CB 3.46Å; D43-S46 PolarHBondContact O-N 3.39Å; S46-L48 VanDerWaalsContact C-N 3.32Å |
| 47 | S | 59.1 | Low | 60 | Low | 105 Ų | 105 | 116.6 Ų | 116.6 | 73% | 0.734 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -7.9 | 176.1 | 61.1 | 0 | 0 | 0 | 0 | 113.9 | L45 | L45-S47 VanDerWaalsContact C-N 3.31Å; L45-S47 PolarHBondContact O-N 3.4Å |
| 48 | L | 59.2 | Low | 58.5 | Low | 96 Ų | 96 | 115.8 Ų | 115.8 | 50% | 0.503 | 66% | 0.662 | S | S | . | * | S | Bend | trans | -81.9 | 137.2 | 178 | -66.1 | -178.5 | 0 | 0 | 0 | 110 | L45 S46 | L45-L48 HydrophobicContact CD2-CD1 3.48Å; L45-L48 VanDerWaalsContact CD2-CD1 3.48Å; L45-L48 PolarHBondContact O-N 3.3Å; L45-L48 VanDerWaalsContact O-N 3.12Å; S46-L48 VanDerWaalsContact C-N 3.32Å |
| 49 | P | 59 | Low | 57.2 | Low | 106 Ų | 106 | 114.8 Ų | 114.8 | 69% | 0.688 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 138.4 | 167 | -21.3 | 31.1 | 0 | 0 | 0 | 109 | ||
| 50 | P | 59 | Low | 55.7 | Low | 81 Ų | 81 | 118.4 Ų | 118.4 | 53% | 0.526 | 68% | 0.68 | S | S | . | * | P | Polyproline II helix | trans | -50.4 | 134.5 | 175.1 | 19.8 | -29.9 | 0 | 0 | 0 | 108.8 | G52 | P50-G52 PolarHBondContact O-N 3.02Š|
| 51 | P | 53.5 | Low | 54.8 | Low | 108 Ų | 108 | 117.8 Ų | 117.8 | 70% | 0.701 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 122 | -178.7 | 14 | -25.3 | 0 | 0 | 0 | 108.7 | A55 | P51-A55 HydrophobicContact CB-CB 3.43Å; P51-A55 VanDerWaalsContact CB-CB 3.43Å |
| 52 | G | 55.2 | Low | 53.8 | Low | 38 Ų | 38 | 119.3 Ų | 119.3 | 39% | 0.392 | 70% | 0.697 | S | S | . | * | P | Polyproline II helix | trans | -57 | 166.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | P50 T54 A55 | P50-G52 PolarHBondContact O-N 3.02Å; G52-T54 PolarHBondContact O-N 2.62Å; G52-A55 PolarHBondContact O-N 3.44Å |
| 53 | P | 56.2 | Low | 53.1 | Low | 149 Ų | 149 | 119.2 Ų | 119.2 | 97% | 0.968 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -0.9 | -175.8 | 24.1 | -33.9 | 0 | 0 | 0 | 115.1 | ||
| 54 | T | 53.5 | Low | 52 | Low | 122 Ų | 122 | 123.3 Ų | 123.3 | 75% | 0.748 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | -7.3 | 179.4 | 55.9 | 0 | 0 | 0 | 0 | 114.6 | G52 R56 | G52-T54 PolarHBondContact O-N 2.62Å; T54-R56 VanDerWaalsContact C-N 3.33Å; T54-R56 PolarHBondContact O-N 2.68Å |
| 55 | A | 54.5 | Low | 51 | Low | 59 Ų | 59 | 126.9 Ų | 126.9 | 49% | 0.488 | 73% | 0.725 | S | S | . | * | trans | -73 | 89.8 | 174 | 0 | 0 | 0 | 0 | 0 | 109.7 | P51 G52 L57 | P51-A55 HydrophobicContact CB-CB 3.43Å; P51-A55 VanDerWaalsContact CB-CB 3.43Å; G52-A55 PolarHBondContact O-N 3.44Å; A55-L57 PolarHBondContact O-N 3.05Å | ||
| 56 | R | 53.9 | Low | 50.1 | Low | 240 Ų | 240 | 126.9 Ų | 126.9 | 91% | 0.906 | 73% | 0.731 | S | S | * | * | trans | -67.7 | 98.4 | 176.7 | -64.5 | -173.9 | -174.1 | -134.7 | 3 | 109 | T54 | T54-R56 VanDerWaalsContact C-N 3.33Å; T54-R56 PolarHBondContact O-N 2.68Å | ||
| 57 | L | 52.5 | Low | 49.2 | Very low | 153 Ų | 153 | 131.8 Ų | 131.8 | 80% | 0.801 | 75% | 0.746 | S | S | * | * | trans | -60.5 | 141.2 | 158.4 | -64.8 | 174.8 | 0 | 0 | 0 | 108.1 | A55 A59 | A55-L57 PolarHBondContact O-N 3.05Å; L57-A59 PolarHBondContact O-N 3.15Å | ||
| 58 | P | 45.7 | Very low | 48.8 | Very low | 129 Ų | 129 | 136.8 Ų | 136.8 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | trans | -60 | 113.5 | 177.7 | -19.3 | 30.8 | 0 | 0 | 0 | 109.7 | F60 | P58-F60 PolarHBondContact O-N 2.91Š| ||
| 59 | A | 45.5 | Very low | 48.2 | Very low | 97 Ų | 97 | 142 Ų | 142 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | trans | -78.3 | 109.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | L57 S61 | L57-A59 PolarHBondContact O-N 3.15Å; A59-S61 PolarHBondContact O-N 2.78Å | ||
| 60 | F | 38.7 | Very low | 47.8 | Very low | 210 Ų | 210 | 148 Ų | 148 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | trans | -71.8 | 118.4 | 161.9 | -136.2 | -95.6 | 0 | 0 | 0 | 106.8 | P58 E62 | P58-F60 PolarHBondContact O-N 2.91Å; F60-E62 PolarHBondContact O-N 3.28Å | ||
| 61 | S | 42.2 | Very low | 47.5 | Very low | 105 Ų | 105 | 155 Ų | 155 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | trans | -74.4 | 111.3 | -176.2 | 51.5 | 0 | 0 | 0 | 0 | 110.5 | A59 | A59-S61 PolarHBondContact O-N 2.78Š| ||
| 62 | E | 41.3 | Very low | 47.4 | Very low | 195 Ų | 195 | 158.9 Ų | 158.9 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | trans | -111.4 | 123.7 | 149.8 | -87.5 | -174.3 | 127.9 | 0 | 0 | 108.1 | F60 | F60-E62 PolarHBondContact O-N 3.28Š| ||
| 63 | T | 43 | Very low | 47.1 | Very low | 125 Ų | 125 | 163.4 Ų | 163.4 | 77% | 0.767 | 82% | 0.824 | S | S | * | * | trans | -59.6 | 160.4 | 175.5 | -49.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 64 | E | 37 | Very low | 46.9 | Very low | 178 Ų | 178 | 167.4 Ų | 167.4 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | trans | 118.5 | 92.2 | 159.5 | -43.2 | -120.1 | 146.8 | 0 | 0 | 115.4 | ||||
| 65 | E | 38.9 | Very low | 46.6 | Very low | 180 Ų | 180 | 163 Ų | 163 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | trans | 54.9 | 144.2 | 143.2 | -67.4 | -63.4 | 105.5 | 0 | 0 | 124.6 | ||||
| 66 | P | 42.1 | Very low | 46.3 | Very low | 110 Ų | 110 | 166.1 Ų | 166.1 | 71% | 0.714 | 81% | 0.807 | S | S | * | * | trans | -99.2 | 99.6 | -168.7 | 37.4 | -28.9 | 0 | 0 | 0 | 113.6 | ||||
| 67 | E | 43.1 | Very low | 46.2 | Very low | 181 Ų | 181 | 162 Ų | 162 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | -93.4 | 134.1 | 163.4 | -73.1 | -163.7 | 132.1 | 0 | 0 | 112.8 | K69 | E67-K69 PolarHBondContact O-N 3.04Š| ||
| 68 | K | 51 | Low | 46 | Very low | 211 Ų | 211 | 161.2 Ų | 161.2 | 92% | 0.917 | 79% | 0.788 | S | S | * | * | trans | -50.9 | 101.1 | -172.9 | -65 | 167.1 | -177.5 | 170.9 | 0 | 112.4 | R70 | K68-R70 PolarHBondContact O-N 3.22Å; K68-R70 VanDerWaalsContact O-N 3.13Å | ||
| 69 | K | 46.2 | Very low | 46.4 | Very low | 206 Ų | 206 | 162.1 Ų | 162.1 | 90% | 0.896 | 78% | 0.779 | S | S | * | * | trans | -75.4 | 102.3 | 175.4 | -75.7 | 177.1 | -178.5 | 170.3 | 0 | 110.9 | E67 R71 | E67-K69 PolarHBondContact O-N 3.04Å; K69-R71 PolarHBondContact O-N 3.43Å | ||
| 70 | R | 50.4 | Low | 46.7 | Very low | 231 Ų | 231 | 163 Ų | 163 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | trans | -48 | 122.8 | 157.9 | -68.8 | 173.3 | 94.9 | -175.1 | 7.1 | 107.8 | K68 K72 | K68-R70 PolarHBondContact O-N 3.22Å; K68-R70 VanDerWaalsContact O-N 3.13Å; R70-K72 VanDerWaalsContact C-N 3.31Å; R70-K72 PolarHBondContact O-N 3.37Å | ||
| 71 | R | 52.6 | Low | 47.2 | Very low | 229 Ų | 229 | 162.2 Ų | 162.2 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | trans | -60 | 92 | 175.9 | -172.3 | 174.7 | 169.4 | -176.8 | -3.8 | 108.6 | K69 T73 | K69-R71 PolarHBondContact O-N 3.43Å; R71-T73 VanDerWaalsContact C-N 3.33Å; R71-T73 PolarHBondContact O-N 3.43Å | ||
| 72 | K | 51.8 | Low | 47.8 | Very low | 188 Ų | 188 | 164.3 Ų | 164.3 | 82% | 0.817 | 75% | 0.753 | S | S | * | * | trans | -72.7 | 93.4 | 168.4 | -79.9 | 178.8 | 177.7 | 173.1 | 0 | 107 | R70 R74 | R70-K72 VanDerWaalsContact C-N 3.31Å; R70-K72 PolarHBondContact O-N 3.37Å; K72-R74 PolarHBondContact O-N 3.41Å | ||
| 73 | T | 49.3 | Very low | 48.9 | Very low | 133 Ų | 133 | 162.7 Ų | 162.7 | 82% | 0.816 | 74% | 0.739 | S | S | * | * | trans | -66.8 | 61.3 | 159.8 | -4.8 | 0 | 0 | 0 | 0 | 108.6 | R71 | R71-T73 VanDerWaalsContact C-N 3.33Å; R71-T73 PolarHBondContact O-N 3.43Å | ||
| 74 | R | 51.5 | Low | 50.1 | Low | 233 Ų | 233 | 160.4 Ų | 160.4 | 88% | 0.879 | 72% | 0.718 | S | S | * | * | trans | -135 | 103.1 | 177.1 | -171.3 | 176.4 | 168.9 | -174.6 | -5.1 | 107.5 | K72 | K72-R74 PolarHBondContact O-N 3.41Š| ||
| 75 | G | 46.4 | Very low | 51.8 | Low | 29 Ų | 29 | 155.4 Ų | 155.4 | 30% | 0.299 | 70% | 0.697 | S | S | . | * | trans | 141.8 | 20.4 | 162.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | H77 F78 K79 | G75-H77 VanDerWaalsContact C-N 3.33Å; G75-F78 WeakPolarHBondContact O-CB 3.45Å; G75-F78 PolarHBondContact O-N 3.13Å; G75-K79 PolarHBondContact O-N 3.23Å | ||
| 76 | D | 48.8 | Very low | 53.6 | Low | 126 Ų | 126 | 151.5 Ų | 151.5 | 67% | 0.674 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -65.8 | -42.7 | 167.6 | -160.7 | 33.5 | 0 | 0 | 0 | 110.5 | F78 K79 Q80 | D76-F78 PolarHBondContact O-N 3.44Å; D76-F78 VanDerWaalsContact O-N 3.14Å; D76-K79 PolarHBondContact O-N 3Å; D76-K79 VanDerWaalsContact O-N 3.16Å; D76-Q80 PolarHBondContact O-N 3.12Å |
| 77 | H | 51.6 | Low | 55.5 | Low | 152 Ų | 152 | 148.5 Ų | 148.5 | 70% | 0.704 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -58.7 | -24 | 168.5 | -77.9 | -76 | 0 | 0 | 0 | 114.8 | G75 R81 | G75-H77 VanDerWaalsContact C-N 3.33Å; H77-R81 WeakPolarHBondContact O-CG 3.35Å; H77-R81 PolarHBondContact O-N 2.93Å |
| 78 | F | 49.3 | Very low | 57.3 | Low | 137 Ų | 137 | 141.9 Ų | 141.9 | 60% | 0.601 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -74.8 | -49.2 | 176.4 | -167.5 | -102 | 0 | 0 | 0 | 109.1 | G75 D76 Q80 R81 F82 | G75-F78 WeakPolarHBondContact O-CB 3.45Å; G75-F78 PolarHBondContact O-N 3.13Å; D76-F78 PolarHBondContact O-N 3.44Å; D76-F78 VanDerWaalsContact O-N 3.14Å; F78-Q80 VanDerWaalsContact C-N 3.29Å; F78-Q80 PolarHBondContact O-N 2.8Å; F78-R81 PolarHBondContact O-N 3.09Å; F78-F82 HydrophobicContact CD1-CD2 4.01Å; F78-F82 AromaticContact CD1-CE2 3.66Å; F78-F82 HydrophobicContact CD1-CE2 3.66Å; F78-F82 AromaticContact CD2-CE2 3.91Å; F78-F82 HydrophobicContact CD2-CE2 3.91Å; F78-F82 AromaticContact CE1-CD2 3.98Å; F78-F82 HydrophobicContact CE1-CD2 3.98Å; F78-F82 AromaticContact CE1-CE2 3.33Å; F78-F82 HydrophobicContact CE1-CE2 3.33Å; F78-F82 HydrophobicContact CE1-CZ 4.1Å; F78-F82 AromaticContact CE2-CE2 3.6Å; F78-F82 HydrophobicContact CE2-CE2 3.6Å; F78-F82 HydrophobicContact CE2-CZ 4.11Å; F78-F82 HydrophobicContact CG-CD2 4.43Å; F78-F82 AromaticContact CG-CE2 3.95Å; F78-F82 HydrophobicContact CG-CE2 3.95Å; F78-F82 HydrophobicContact CZ-CD2 4.37Å; F78-F82 AromaticContact CZ-CE2 3.31Å; F78-F82 HydrophobicContact CZ-CE2 3.31Å; F78-F82 AromaticContact CZ-CZ 3.74Å; F78-F82 HydrophobicContact CZ-CZ 3.74Å; F78-F82 WeakPolarHBondContact O-CD2 3.35Å; F78-F82 PolarHBondContact O-N 3.27Å |
| 79 | K | 53.2 | Low | 58.8 | Low | 149 Ų | 149 | 135.6 Ų | 135.6 | 65% | 0.648 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -63.2 | -32.8 | 178.2 | -66.5 | -178.1 | 178.5 | -174.6 | 0 | 113.3 | G75 D76 F82 R83 | G75-K79 PolarHBondContact O-N 3.23Å; D76-K79 PolarHBondContact O-N 3Å; D76-K79 VanDerWaalsContact O-N 3.16Å; K79-F82 PolarHBondContact O-N 2.89Å; K79-R83 WeakPolarHBondContact O-CG 3.49Å |
| 80 | Q | 51.8 | Low | 60.6 | Low | 114 Ų | 114 | 127.5 Ų | 127.5 | 53% | 0.533 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -73.8 | -29.1 | 178.8 | -140.6 | 170.6 | 16.2 | 0 | 0 | 112.8 | D76 F78 F82 R83 | D76-Q80 PolarHBondContact O-N 3.12Å; F78-Q80 VanDerWaalsContact C-N 3.29Å; F78-Q80 PolarHBondContact O-N 2.8Å; Q80-F82 VanDerWaalsContact C-N 3.33Å; Q80-R83 PolarHBondContact O-N 3.07Å |
| 81 | R | 50.4 | Low | 62.2 | Low | 194 Ų | 194 | 122 Ų | 122 | 73% | 0.732 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -69.2 | -27 | 172.3 | -79.3 | -175.5 | -178.7 | -125.9 | 1.2 | 113.4 | H77 F78 | H77-R81 WeakPolarHBondContact O-CG 3.35Å; H77-R81 PolarHBondContact O-N 2.93Å; F78-R81 PolarHBondContact O-N 3.09Å |
| 82 | F | 53.7 | Low | 63.7 | Low | 149 Ų | 149 | 115.4 Ų | 115.4 | 65% | 0.654 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | 0.1 | 178.6 | -69.2 | -77.6 | 0 | 0 | 0 | 114.3 | F78 K79 Q80 | F78-F82 HydrophobicContact CD1-CD2 4.01Å; F78-F82 AromaticContact CD1-CE2 3.66Å; F78-F82 HydrophobicContact CD1-CE2 3.66Å; F78-F82 AromaticContact CD2-CE2 3.91Å; F78-F82 HydrophobicContact CD2-CE2 3.91Å; F78-F82 AromaticContact CE1-CD2 3.98Å; F78-F82 HydrophobicContact CE1-CD2 3.98Å; F78-F82 AromaticContact CE1-CE2 3.33Å; F78-F82 HydrophobicContact CE1-CE2 3.33Å; F78-F82 HydrophobicContact CE1-CZ 4.1Å; F78-F82 AromaticContact CE2-CE2 3.6Å; F78-F82 HydrophobicContact CE2-CE2 3.6Å; F78-F82 HydrophobicContact CE2-CZ 4.11Å; F78-F82 HydrophobicContact CG-CD2 4.43Å; F78-F82 AromaticContact CG-CE2 3.95Å; F78-F82 HydrophobicContact CG-CE2 3.95Å; F78-F82 HydrophobicContact CZ-CD2 4.37Å; F78-F82 AromaticContact CZ-CE2 3.31Å; F78-F82 HydrophobicContact CZ-CE2 3.31Å; F78-F82 AromaticContact CZ-CZ 3.74Å; F78-F82 HydrophobicContact CZ-CZ 3.74Å; F78-F82 WeakPolarHBondContact O-CD2 3.35Å; F78-F82 PolarHBondContact O-N 3.27Å; K79-F82 PolarHBondContact O-N 2.89Å; Q80-F82 VanDerWaalsContact C-N 3.33Å |
| 83 | R | 64.5 | Low | 65.1 | Low | 161 Ų | 161 | 109.5 Ų | 109.5 | 61% | 0.608 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | -1.6 | 174.7 | -70.9 | 175.3 | 104.3 | 133.2 | 4 | 113.3 | K79 Q80 | K79-R83 WeakPolarHBondContact O-CG 3.49Å; Q80-R83 PolarHBondContact O-N 3.07Å |
| 84 | K | 67.8 | Low | 66.6 | Low | 77 Ų | 77 | 107.4 Ų | 107.4 | 34% | 0.335 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -84.5 | 127.6 | 176.5 | -64.5 | -169.2 | -170.6 | -172.5 | 0 | 108.8 | T88 L89 E92 | K84-T88 WeakPolarHBondContact CB-OG1 3.39Å; K84-L89 HydrophobicContact CB-CD2 3.77Å; K84-L89 HydrophobicContact CB-CG 3.9Å; K84-L89 HydrophobicContact CD-CD2 3.94Å; K84-L89 HydrophobicContact CG-CD2 4.46Å; K84-E92 WeakPolarHBondContact CD-OE1 3.39Å; K84-E92 WeakPolarHBondContact CD-OE2 3.46Å; K84-E92 WeakPolarHBondContact CE-OE1 3.4Å; K84-E92 IonicContact NZ-OE1 2.58Å; K84-E92 PolarHBondContact NZ-OE1 2.99Å; K84-E92 IonicContact NZ-OE2 2.69Å; K84-E92 PolarHBondContact NZ-OE2 3.46Å |
| 85 | N | 73.8 | Confident | 67.8 | Low | 74 Ų | 74 | 103.4 Ų | 103.4 | 40% | 0.396 | 49% | 0.489 | S | S | . | . | trans | -68.8 | 162.8 | 172.1 | 67.6 | 14.3 | 0 | 0 | 0 | 109.7 | T87 T88 L89 | N85-T87 PolarHBondContact O-N 3.16Å; N85-T87 PolarHBondContact OD1-N 3.38Å; N85-T88 PolarHBondContact N-OG1 3.45Å; N85-T88 VanDerWaalsContact N-OG1 3.1Å; N85-T88 PolarHBondContact O-N 3Å; N85-T88 PolarHBondContact O-OG1 3.43Å; N85-T88 VanDerWaalsContact OD1-CB 3.31Å; N85-T88 WeakPolarHBondContact OD1-CB 3.47Å; N85-T88 WeakPolarHBondContact OD1-CG2 3.46Å; N85-T88 PolarHBondContact OD1-N 3.4Å; N85-T88 PolarHBondContact OD1-OG1 3.49Å; N85-L89 PolarHBondContact O-N 3.18Å; N85-L89 VanDerWaalsContact O-N 3.15Å | ||
| 86 | F | 76.7 | Confident | 69.2 | Low | 98 Ų | 98 | 105 Ų | 105 | 43% | 0.43 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -55.6 | -38.3 | -178.7 | 178.6 | -106.8 | 0 | 0 | 0 | 112.5 | L89 L90 Y103 | F86-L89 PolarHBondContact O-N 3.09Å; F86-L90 HydrophobicContact CE1-CD2 4.31Å; F86-L90 HydrophobicContact CZ-CD1 4.46Å; F86-L90 WeakPolarHBondContact O-CB 3.39Å; F86-L90 PolarHBondContact O-N 2.87Å; F86-Y103 AromaticContact CE1-CE1 3.97Å; F86-Y103 HydrophobicContact CE1-CE1 3.97Å; F86-Y103 HydrophobicContact CE1-CE2 4.36Å; F86-Y103 AromaticContact CE1-CZ 3.83Å; F86-Y103 HydrophobicContact CE2-CD2 4.48Å; F86-Y103 HydrophobicContact CE2-CE2 4.3Å; F86-Y103 HydrophobicContact CZ-CD1 4.07Å; F86-Y103 AromaticContact CZ-CD2 3.87Å; F86-Y103 HydrophobicContact CZ-CD2 3.87Å; F86-Y103 AromaticContact CZ-CE1 3.72Å; F86-Y103 HydrophobicContact CZ-CE1 3.72Å; F86-Y103 AromaticContact CZ-CE2 3.52Å; F86-Y103 HydrophobicContact CZ-CE2 3.52Å; F86-Y103 HydrophobicContact CZ-CG 4.14Å; F86-Y103 AromaticContact CZ-CZ 3.43Å; F86-Y103 VanDerWaalsContact CZ-CZ 3.43Å |
| 87 | T | 80.7 | Confident | 70 | Confident | 47 Ų | 47 | 107.5 Ų | 107.5 | 29% | 0.288 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.3 | -47.4 | 178.4 | -43.9 | 0 | 0 | 0 | 0 | 112.6 | F40 N85 L89 L90 E91 | F40-T87 WeakPolarHBondContact CE1-OG1 3.4Å; N85-T87 PolarHBondContact O-N 3.16Å; N85-T87 PolarHBondContact OD1-N 3.38Å; T87-L89 VanDerWaalsContact C-N 3.33Å; T87-L89 PolarHBondContact O-N 2.67Å; T87-L90 WeakPolarHBondContact O-CB 3.45Å; T87-L90 PolarHBondContact O-N 3.17Å; T87-L90 VanDerWaalsContact O-N 3.12Å; T87-E91 WeakPolarHBondContact O-CG 3.5Å; T87-E91 PolarHBondContact O-N 3.35Å |
| 88 | T | 82.1 | Confident | 71.1 | Confident | 42 Ų | 42 | 107.5 Ų | 107.5 | 26% | 0.258 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.1 | -35.9 | 178.4 | 50.2 | 0 | 0 | 0 | 0 | 111.8 | K84 N85 L90 E92 | K84-T88 WeakPolarHBondContact CB-OG1 3.39Å; N85-T88 PolarHBondContact N-OG1 3.45Å; N85-T88 VanDerWaalsContact N-OG1 3.1Å; N85-T88 PolarHBondContact O-N 3Å; N85-T88 PolarHBondContact O-OG1 3.43Å; N85-T88 VanDerWaalsContact OD1-CB 3.31Å; N85-T88 WeakPolarHBondContact OD1-CB 3.47Å; N85-T88 WeakPolarHBondContact OD1-CG2 3.46Å; N85-T88 PolarHBondContact OD1-N 3.4Å; N85-T88 PolarHBondContact OD1-OG1 3.49Å; T88-L90 VanDerWaalsContact C-N 3.3Å; T88-L90 PolarHBondContact O-N 2.84Å; T88-E92 WeakPolarHBondContact O-CB 3.39Å; T88-E92 VanDerWaalsContact O-CG 3.25Å; T88-E92 WeakPolarHBondContact O-CG 3.28Å; T88-E92 PolarHBondContact O-N 3.16Å |
| 89 | L | 82.1 | Confident | 72.2 | Confident | 78 Ų | 78 | 106.3 Ų | 106.3 | 41% | 0.408 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.2 | -37.4 | 172.3 | -66.8 | 175.7 | 0 | 0 | 0 | 111.9 | K84 N85 F86 T87 E93 | K84-L89 HydrophobicContact CB-CD2 3.77Å; K84-L89 HydrophobicContact CB-CG 3.9Å; K84-L89 HydrophobicContact CD-CD2 3.94Å; K84-L89 HydrophobicContact CG-CD2 4.46Å; N85-L89 PolarHBondContact O-N 3.18Å; N85-L89 VanDerWaalsContact O-N 3.15Å; F86-L89 PolarHBondContact O-N 3.09Å; T87-L89 VanDerWaalsContact C-N 3.33Å; T87-L89 PolarHBondContact O-N 2.67Å; L89-E93 PolarHBondContact O-N 3.24Å |
| 90 | L | 84.1 | Confident | 73.5 | Confident | 36 Ų | 36 | 105 Ų | 105 | 19% | 0.188 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -70.9 | -41.3 | 179 | -166.8 | 67 | 0 | 0 | 0 | 112.1 | F86 T87 T88 E93 N94 Y103 L104 | F86-L90 HydrophobicContact CE1-CD2 4.31Å; F86-L90 HydrophobicContact CZ-CD1 4.46Å; F86-L90 WeakPolarHBondContact O-CB 3.39Å; F86-L90 PolarHBondContact O-N 2.87Å; T87-L90 WeakPolarHBondContact O-CB 3.45Å; T87-L90 PolarHBondContact O-N 3.17Å; T87-L90 VanDerWaalsContact O-N 3.12Å; T88-L90 VanDerWaalsContact C-N 3.3Å; T88-L90 PolarHBondContact O-N 2.84Å; L90-E93 PolarHBondContact O-N 3.46Å; L90-N94 WeakPolarHBondContact O-CB 3.45Å; L90-N94 PolarHBondContact O-N 2.94Å; L90-Y103 HydrophobicContact CD1-CD1 3.38Å; L90-Y103 HydrophobicContact CD1-CE1 4.29Å; L90-Y103 HydrophobicContact CD1-CG 3.68Å; L90-Y103 HydrophobicContact CD2-CD1 4.04Å; L90-Y103 HydrophobicContact CD2-CE1 4.27Å; L90-Y103 HydrophobicContact CG-CD1 4.38Å; L90-L104 HydrophobicContact CD1-CD2 4.38Å; L90-L104 HydrophobicContact CD1-CG 4.29Å; L90-L104 HydrophobicContact CD2-CD2 4.04Å; L90-L104 HydrophobicContact CG-CD2 4.43Å |
| 91 | E | 83.6 | Confident | 75 | Confident | 117 Ų | 117 | 104.9 Ų | 104.9 | 55% | 0.547 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 174.3 | -72.8 | 172.5 | 178.8 | 0 | 0 | 111.8 | T87 N94 L95 | T87-E91 WeakPolarHBondContact O-CG 3.5Å; T87-E91 PolarHBondContact O-N 3.35Å; E91-N94 PolarHBondContact O-N 3.23Å; E91-L95 PolarHBondContact O-N 2.86Å |
| 92 | E | 83.8 | Confident | 76.6 | Confident | 90 Ų | 90 | 97 Ų | 97 | 42% | 0.421 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.9 | -41.7 | 176.8 | -76.2 | 175.4 | -173.6 | 0 | 0 | 112.7 | K84 T88 L95 S96 | K84-E92 WeakPolarHBondContact CD-OE1 3.39Å; K84-E92 WeakPolarHBondContact CD-OE2 3.46Å; K84-E92 WeakPolarHBondContact CE-OE1 3.4Å; K84-E92 IonicContact NZ-OE1 2.58Å; K84-E92 PolarHBondContact NZ-OE1 2.99Å; K84-E92 IonicContact NZ-OE2 2.69Å; K84-E92 PolarHBondContact NZ-OE2 3.46Å; T88-E92 WeakPolarHBondContact O-CB 3.39Å; T88-E92 VanDerWaalsContact O-CG 3.25Å; T88-E92 WeakPolarHBondContact O-CG 3.28Å; T88-E92 PolarHBondContact O-N 3.16Å; E92-L95 PolarHBondContact O-N 3.19Å; E92-S96 PolarHBondContact O-N 3.49Å |
| 93 | E | 81.8 | Confident | 78.1 | Confident | 63 Ų | 63 | 97.1 Ų | 97.1 | 29% | 0.294 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 175.8 | -161.2 | -144.3 | 179.2 | 0 | 0 | 111.2 | L89 L90 L95 S96 N102 | L89-E93 PolarHBondContact O-N 3.24Å; L90-E93 PolarHBondContact O-N 3.46Å; E93-L95 VanDerWaalsContact C-N 3.29Å; E93-L95 PolarHBondContact O-N 3.38Å; E93-S96 WeakPolarHBondContact O-CB 3.49Å; E93-S96 PolarHBondContact O-N 3.48Å; E93-S96 PolarHBondContact O-OG 3.32Å; E93-N102 VanDerWaalsContact CD-CB 3.48Å; E93-N102 WeakPolarHBondContact OE1-CB 3.41Å; E93-N102 WeakPolarHBondContact OE2-CB 3.17Å |
| 94 | N | 80.7 | Confident | 79 | Confident | 90 Ų | 90 | 94 Ų | 94 | 48% | 0.481 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.3 | -37.4 | 177.4 | -170.3 | 56.9 | 0 | 0 | 0 | 112.2 | L90 E91 S96 L104 | L90-N94 WeakPolarHBondContact O-CB 3.45Å; L90-N94 PolarHBondContact O-N 2.94Å; E91-N94 PolarHBondContact O-N 3.23Å; N94-S96 VanDerWaalsContact C-N 3.27Å; N94-S96 PolarHBondContact O-N 2.97Å; N94-L104 HydrophobicContact CB-CD1 4.37Å |
| 95 | L | 78 | Confident | 79.7 | Confident | 149 Ų | 149 | 93.6 Ų | 93.6 | 78% | 0.78 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -70.4 | -22.1 | 174.9 | -124.1 | 79 | 0 | 0 | 0 | 113.7 | E91 E92 E93 E97 | E91-L95 PolarHBondContact O-N 2.86Å; E92-L95 PolarHBondContact O-N 3.19Å; E93-L95 VanDerWaalsContact C-N 3.29Å; E93-L95 PolarHBondContact O-N 3.38Å; L95-E97 PolarHBondContact O-N 3.4Å |
| 96 | S | 75.1 | Confident | 80.3 | Confident | 61 Ų | 61 | 93.6 Ų | 93.6 | 43% | 0.427 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -2.4 | -175.6 | 71.8 | 0 | 0 | 0 | 0 | 114.2 | E92 E93 N94 R98 | E92-S96 PolarHBondContact O-N 3.49Å; E93-S96 WeakPolarHBondContact O-CB 3.49Å; E93-S96 PolarHBondContact O-N 3.48Å; E93-S96 PolarHBondContact O-OG 3.32Å; N94-S96 VanDerWaalsContact C-N 3.27Å; N94-S96 PolarHBondContact O-N 2.97Å; S96-R98 PolarHBondContact O-N 3.05Å |
| 97 | E | 66.2 | Low | 80.9 | Confident | 179 Ų | 179 | 92.8 Ų | 92.8 | 84% | 0.836 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 39.2 | 44.4 | 174.5 | -68 | -172.5 | -179.2 | 0 | 0 | 114.2 | L95 | L95-E97 PolarHBondContact O-N 3.4Š|
| 98 | R | 74.6 | Confident | 81.3 | Confident | 153 Ų | 153 | 95 Ų | 95 | 58% | 0.577 | 53% | 0.534 | S | S | * | . | trans | -74.5 | 130.7 | 175.4 | -63.1 | 179.7 | 70 | 170.6 | -3.1 | 108.8 | S96 E100 | S96-R98 PolarHBondContact O-N 3.05Å; R98-E100 IonicContact CZ-OE2 3.55Å; R98-E100 IonicContact NE-OE2 3.63Å; R98-E100 IonicContact NH2-OE2 2.81Å; R98-E100 PolarHBondContact NH2-OE2 3.12Å; R98-E100 PolarHBondContact O-N 2.89Å | ||
| 99 | A | 71.3 | Confident | 81.7 | Confident | 112 Ų | 112 | 98.4 Ų | 98.4 | 93% | 0.926 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -72.3 | -1.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 100 | E | 81.3 | Confident | 82.1 | Confident | 120 Ų | 120 | 100.7 Ų | 100.7 | 56% | 0.561 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -79.7 | 151.3 | 176.3 | -65.7 | 178.4 | 140.9 | 0 | 0 | 110.4 | R98 N102 | R98-E100 IonicContact CZ-OE2 3.55Å; R98-E100 IonicContact NE-OE2 3.63Å; R98-E100 IonicContact NH2-OE2 2.81Å; R98-E100 PolarHBondContact NH2-OE2 3.12Å; R98-E100 PolarHBondContact O-N 2.89Å; E100-N102 PolarHBondContact O-N 2.8Å |
| 101 | P | 82.3 | Confident | 82.6 | Confident | 112 Ų | 112 | 103.9 Ų | 103.9 | 73% | 0.727 | 60% | 0.602 | S | S | * | * | trans | -59.6 | 114.1 | 175.5 | 22.7 | -31.4 | 0 | 0 | 0 | 110.5 | S105 | P101-S105 VanDerWaalsContact CA-OG 3.29Å; P101-S105 WeakPolarHBondContact CA-OG 3.22Å | ||
| 102 | N | 85.3 | Confident | 83.1 | Confident | 30 Ų | 30 | 104 Ų | 104 | 16% | 0.16 | 62% | 0.616 | C | S | . | * | trans | -94.8 | 176.2 | 177.9 | 66.8 | 18.6 | 0 | 0 | 0 | 112.4 | E93 E100 L104 S105 A106 | E93-N102 VanDerWaalsContact CD-CB 3.48Å; E93-N102 WeakPolarHBondContact OE1-CB 3.41Å; E93-N102 WeakPolarHBondContact OE2-CB 3.17Å; E100-N102 PolarHBondContact O-N 2.8Å; N102-L104 PolarHBondContact O-N 2.75Å; N102-L104 VanDerWaalsContact O-N 3.13Å; N102-L104 PolarHBondContact OD1-N 3.14Å; N102-L104 VanDerWaalsContact OD1-N 3.14Å; N102-S105 PolarHBondContact N-OG 2.81Å; N102-S105 PolarHBondContact O-N 3.13Å; N102-S105 VanDerWaalsContact O-N 3.15Å; N102-S105 PolarHBondContact O-OG 3.38Å; N102-S105 VanDerWaalsContact O-OG 3.12Å; N102-S105 WeakPolarHBondContact OD1-CB 3.49Å; N102-S105 PolarHBondContact OD1-N 2.91Å; N102-S105 PolarHBondContact OD1-OG 3.37Å; N102-A106 VanDerWaalsContact O-CB 3.25Å; N102-A106 WeakPolarHBondContact O-CB 3.35Å; N102-A106 PolarHBondContact O-N 3.15Å | ||
| 103 | Y | 84.2 | Confident | 83.6 | Confident | 150 Ų | 150 | 106 Ų | 106 | 59% | 0.588 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.9 | -32.2 | -179.6 | -177.5 | -88.8 | 0 | 0 | 0 | 113.4 | F86 L90 | F86-Y103 AromaticContact CE1-CE1 3.97Å; F86-Y103 HydrophobicContact CE1-CE1 3.97Å; F86-Y103 HydrophobicContact CE1-CE2 4.36Å; F86-Y103 AromaticContact CE1-CZ 3.83Å; F86-Y103 HydrophobicContact CE2-CD2 4.48Å; F86-Y103 HydrophobicContact CE2-CE2 4.3Å; F86-Y103 HydrophobicContact CZ-CD1 4.07Å; F86-Y103 AromaticContact CZ-CD2 3.87Å; F86-Y103 HydrophobicContact CZ-CD2 3.87Å; F86-Y103 AromaticContact CZ-CE1 3.72Å; F86-Y103 HydrophobicContact CZ-CE1 3.72Å; F86-Y103 AromaticContact CZ-CE2 3.52Å; F86-Y103 HydrophobicContact CZ-CE2 3.52Å; F86-Y103 HydrophobicContact CZ-CG 4.14Å; F86-Y103 AromaticContact CZ-CZ 3.43Å; F86-Y103 VanDerWaalsContact CZ-CZ 3.43Å; L90-Y103 HydrophobicContact CD1-CD1 3.38Å; L90-Y103 HydrophobicContact CD1-CE1 4.29Å; L90-Y103 HydrophobicContact CD1-CG 3.68Å; L90-Y103 HydrophobicContact CD2-CD1 4.04Å; L90-Y103 HydrophobicContact CD2-CE1 4.27Å; L90-Y103 HydrophobicContact CG-CD1 4.38Å |
| 104 | L | 82.8 | Confident | 84.2 | Confident | 97 Ų | 97 | 108 Ų | 108 | 51% | 0.508 | 65% | 0.647 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.2 | -32.6 | -179.6 | -62.5 | 176.9 | 0 | 0 | 0 | 113.3 | L90 N94 N102 | L90-L104 HydrophobicContact CD1-CD2 4.38Å; L90-L104 HydrophobicContact CD1-CG 4.29Å; L90-L104 HydrophobicContact CD2-CD2 4.04Å; L90-L104 HydrophobicContact CG-CD2 4.43Å; N94-L104 HydrophobicContact CB-CD1 4.37Å; N102-L104 PolarHBondContact O-N 2.75Å; N102-L104 VanDerWaalsContact O-N 3.13Å; N102-L104 PolarHBondContact OD1-N 3.14Å; N102-L104 VanDerWaalsContact OD1-N 3.14Å |
| 105 | S | 84.3 | Confident | 84.6 | Confident | 67 Ų | 67 | 109.1 Ų | 109.1 | 47% | 0.469 | 66% | 0.659 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.7 | -21 | -176.2 | 69.7 | 0 | 0 | 0 | 0 | 113.5 | P101 N102 A107 | P101-S105 VanDerWaalsContact CA-OG 3.29Å; P101-S105 WeakPolarHBondContact CA-OG 3.22Å; N102-S105 PolarHBondContact N-OG 2.81Å; N102-S105 PolarHBondContact O-N 3.13Å; N102-S105 VanDerWaalsContact O-N 3.15Å; N102-S105 PolarHBondContact O-OG 3.38Å; N102-S105 VanDerWaalsContact O-OG 3.12Å; N102-S105 WeakPolarHBondContact OD1-CB 3.49Å; N102-S105 PolarHBondContact OD1-N 2.91Å; N102-S105 PolarHBondContact OD1-OG 3.37Å; S105-A107 PolarHBondContact O-N 3.41Å |
| 106 | A | 86.5 | Confident | 85.4 | Confident | 74 Ų | 74 | 111.9 Ų | 111.9 | 61% | 0.612 | 66% | 0.659 | S | S | * | * | trans | -75 | 68.2 | 179 | 0 | 0 | 0 | 0 | 0 | 110.9 | N102 | N102-A106 VanDerWaalsContact O-CB 3.25Å; N102-A106 WeakPolarHBondContact O-CB 3.35Å; N102-A106 PolarHBondContact O-N 3.15Å | ||
| 107 | A | 87.9 | Confident | 86.3 | Confident | 81 Ų | 81 | 112.6 Ų | 112.6 | 67% | 0.669 | 66% | 0.658 | S | S | * | * | trans | -108 | 134.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | S105 | S105-A107 PolarHBondContact O-N 3.41Š| ||
| 108 | A | 89.4 | Confident | 87.7 | Confident | 94 Ų | 94 | 109.2 Ų | 109.2 | 78% | 0.777 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -70 | 141.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 109 | P | 90.3 | Very high | 88.7 | Confident | 113 Ų | 113 | 102.2 Ų | 102.2 | 73% | 0.734 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 157.8 | 173 | 28.3 | -34.4 | 0 | 0 | 0 | 110.8 | ||
| 110 | P | 90.5 | Very high | 89.7 | Confident | 127 Ų | 127 | 99.6 Ų | 99.6 | 83% | 0.825 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -59 | 149.5 | 176.4 | 26.4 | -34.8 | 0 | 0 | 0 | 111.1 | S112 | P110-S112 PolarHBondContact O-N 3.43Š|
| 111 | S | 94 | Very high | 90.2 | Very high | 102 Ų | 102 | 95.7 Ų | 95.7 | 71% | 0.713 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 131.9 | -177.7 | 61.8 | 0 | 0 | 0 | 0 | 111.8 | L113 | S111-L113 VanDerWaalsContact C-N 3.25Å; S111-L113 PolarHBondContact O-N 3.01Å; S111-L113 PolarHBondContact OG-O 3.38Å |
| 112 | S | 95.5 | Very high | 90.8 | Very high | 121 Ų | 121 | 93 Ų | 93 | 85% | 0.846 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -77.3 | -9 | 172.5 | 56.6 | 0 | 0 | 0 | 0 | 113.9 | P110 | P110-S112 PolarHBondContact O-N 3.43Š|
| 113 | L | 94.4 | Very high | 91.3 | Very high | 130 Ų | 130 | 93.7 Ų | 93.7 | 68% | 0.681 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -104.5 | 148.6 | -176.6 | -61.3 | 177.9 | 0 | 0 | 0 | 111.3 | S111 | S111-L113 VanDerWaalsContact C-N 3.25Å; S111-L113 PolarHBondContact O-N 3.01Å; S111-L113 PolarHBondContact OG-O 3.38Å |
| 114 | P | 92.9 | Very high | 91.9 | Very high | 107 Ų | 107 | 93.1 Ų | 93.1 | 70% | 0.695 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 146 | 178.2 | 27.7 | -34.8 | 0 | 0 | 0 | 111.7 | R116 | P114-R116 PolarHBondContact O-N 2.96Š|
| 115 | P | 90.6 | Very high | 92.5 | Very high | 112 Ų | 112 | 92.2 Ų | 92.2 | 73% | 0.727 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 135.5 | -179.4 | 27 | -34 | 0 | 0 | 0 | 111.2 | ||
| 116 | R | 93.5 | Very high | 93 | Very high | 207 Ų | 207 | 89.4 Ų | 89.4 | 78% | 0.781 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 133.1 | 173 | -63.8 | -178.6 | -177.9 | -118.5 | 1.3 | 109.6 | P114 F118 | P114-R116 PolarHBondContact O-N 2.96Å; R116-F118 HydrophobicContact CB-CD2 4.29Å; R116-F118 HydrophobicContact CB-CE2 3.53Å; R116-F118 HydrophobicContact CB-CZ 3.7Å; R116-F118 HydrophobicContact CG-CZ 4.48Å |
| 117 | L | 93.9 | Very high | 93.3 | Very high | 76 Ų | 76 | 93 Ų | 93 | 40% | 0.398 | 56% | 0.556 | S | S | . | * | trans | -101.7 | 113.7 | -176.3 | -57.4 | 175.3 | 0 | 0 | 0 | 109.9 | P125 S126 | L117-P125 WeakPolarHBondContact O-CA 3.48Å; L117-S126 WeakPolarHBondContact CB-OG 3.36Å; L117-S126 PolarHBondContact O-N 3.2Å; L117-S126 PolarHBondContact O-OG 3.3Å | ||
| 118 | F | 96 | Very high | 93.6 | Very high | 109 Ų | 109 | 95.1 Ų | 95.1 | 48% | 0.478 | 55% | 0.547 | S | S | . | . | B | Isolated β-bridge | trans | -114.8 | 150 | -178.7 | -61.8 | -66.7 | 0 | 0 | 0 | 112 | R116 C120 G123 R136 | R116-F118 HydrophobicContact CB-CD2 4.29Å; R116-F118 HydrophobicContact CB-CE2 3.53Å; R116-F118 HydrophobicContact CB-CZ 3.7Å; R116-F118 HydrophobicContact CG-CZ 4.48Å; F118-C120 PolarHBondContact O-N 3.21Å; F118-G123 WeakPolarHBondContact CD1-O 3.42Å; F118-R136 WeakPolarHBondContact O-CB 3.43Å |
| 119 | C | 95.1 | Very high | 93.7 | Very high | 5 Ų | 5 | 93.3 Ų | 93.3 | 3% | 0.034 | 53% | 0.527 | C | S | . | . | trans | -68.6 | 124.8 | 174.8 | -179.9 | 0 | 0 | 0 | 0 | 110.1 | V121 C122 G123 F124 C138 | C119-V121 PolarHBondContact O-N 3.05Å; C119-V121 VanDerWaalsContact O-N 3.09Å; C119-C122 PolarHBondContact SG-SG 3.43Å; C119-G123 WeakPolarHBondContact O-CA 3.29Å; C119-G123 PolarHBondContact O-N 2.9Å; C119-F124 VanDerWaalsContact CB-O 3.28Å; C119-F124 WeakPolarHBondContact CB-O 3.11Å; C119-F124 PolarHBondContact N-O 3.45Å; C119-C138 HydrophobicContact CB-CB 4.02Å | ||
| 120 | C | 91.9 | Very high | 93.7 | Very high | 58 Ų | 58 | 88 Ų | 88 | 39% | 0.392 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -7.8 | 178.7 | 64.3 | 0 | 0 | 0 | 0 | 114.6 | F118 R136 R150 | F118-C120 PolarHBondContact O-N 3.21Å; C120-R136 PolarHBondContact N-O 3.29Å; C120-R136 PolarHBondContact SG-O 3.15Å; C120-R150 PolarHBondContact O-NE 3.03Å; C120-R150 VanDerWaalsContact O-NE 3.17Å |
| 121 | V | 93.7 | Very high | 93.5 | Very high | 37 Ų | 37 | 85.6 Ų | 85.6 | 22% | 0.224 | 48% | 0.476 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -44.6 | -179.6 | -177.2 | 0 | 0 | 0 | 0 | 111.8 | C119 C142 T145 H146 | C119-V121 PolarHBondContact O-N 3.05Å; C119-V121 VanDerWaalsContact O-N 3.09Å; V121-C142 HydrophobicContact CB-CB 4.06Å; V121-C142 HydrophobicContact CG1-CB 4.45Å; V121-C142 HydrophobicContact CG2-CB 4.14Å; V121-C142 WeakPolarHBondContact CG2-O 3.25Å; V121-T145 HydrophobicContact CG1-CG2 3.9Å; V121-H146 HydrophobicContact CG2-CB 4.02Å |
| 122 | C | 95.1 | Very high | 93 | Very high | 56 Ų | 56 | 81.2 Ų | 81.2 | 38% | 0.378 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.8 | -2.1 | -170.9 | 61.3 | 0 | 0 | 0 | 0 | 114.9 | C119 F124 C138 C142 | C119-C122 PolarHBondContact SG-SG 3.43Å; C122-F124 HydrophobicContact CB-CD2 4.03Å; C122-F124 PolarHBondContact O-N 2.78Å; C122-C138 PolarHBondContact SG-SG 2.99Å; C122-C142 VanDerWaalsContact SG-SG 3.64Å |
| 123 | G | 94.5 | Very high | 92.5 | Very high | 45 Ų | 45 | 76.5 Ų | 76.5 | 46% | 0.464 | 41% | 0.411 | S | S | . | . | trans | 77.7 | -10.1 | 176 | 0 | 0 | 0 | 0 | 0 | 116.4 | F118 C119 | F118-G123 WeakPolarHBondContact CD1-O 3.42Å; C119-G123 WeakPolarHBondContact O-CA 3.29Å; C119-G123 PolarHBondContact O-N 2.9Å | ||
| 124 | F | 96.6 | Very high | 92.2 | Very high | 138 Ų | 138 | 71.3 Ų | 71.3 | 61% | 0.605 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -67.2 | 158.8 | 174.8 | -69.7 | -70 | 0 | 0 | 0 | 112.7 | C119 C122 S126 | C119-F124 VanDerWaalsContact CB-O 3.28Å; C119-F124 WeakPolarHBondContact CB-O 3.11Å; C119-F124 PolarHBondContact N-O 3.45Å; C122-F124 HydrophobicContact CB-CD2 4.03Å; C122-F124 PolarHBondContact O-N 2.78Å; F124-S126 PolarHBondContact O-N 3.44Å |
| 125 | P | 96.7 | Very high | 92.1 | Very high | 77 Ų | 77 | 67 Ų | 67 | 50% | 0.5 | 36% | 0.364 | S | S | . | . | B | Isolated β-bridge | trans | -49.7 | 129.4 | 175.4 | -27.8 | 35.5 | 0 | 0 | 0 | 112 | L117 C138 | L117-P125 WeakPolarHBondContact O-CA 3.48Å; P125-C138 WeakPolarHBondContact O-CB 3.14Å |
| 126 | S | 94.5 | Very high | 92.2 | Very high | 8 Ų | 8 | 65.9 Ų | 65.9 | 6% | 0.056 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -99.6 | 132.2 | -179.8 | 62.3 | 0 | 0 | 0 | 0 | 111.1 | L117 F124 R136 Y137 | L117-S126 WeakPolarHBondContact CB-OG 3.36Å; L117-S126 PolarHBondContact O-N 3.2Å; L117-S126 PolarHBondContact O-OG 3.3Å; F124-S126 PolarHBondContact O-N 3.44Å; S126-R136 WeakPolarHBondContact OG-CB 3.16Å; S126-Y137 WeakPolarHBondContact CB-O 3.48Å |
| 127 | H | 93 | Very high | 92.3 | Very high | 149 Ų | 149 | 57.7 Ų | 57.7 | 69% | 0.69 | 32% | 0.315 | S | S | * | . | trans | -103.4 | -12 | 172.5 | -62.1 | -74.6 | 0 | 0 | 0 | 112.9 | ||||
| 128 | Y | 93.8 | Very high | 92.4 | Very high | 126 Ų | 126 | 55.6 Ų | 55.6 | 49% | 0.494 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 157.6 | -171.7 | -52.7 | -77.9 | 0 | 0 | 0 | 112.7 | R136 Y137 | Y128-R136 WeakPolarHBondContact O-CA 3.4Å; Y128-Y137 HydrophobicContact CD2-CD2 4.17Å; Y128-Y137 AromaticContact CD2-CE2 3.85Å; Y128-Y137 HydrophobicContact CD2-CE2 3.85Å; Y128-Y137 HydrophobicContact CG-CD2 4.33Å; Y128-Y137 AromaticContact CG-CE2 3.72Å; Y128-Y137 HydrophobicContact CG-CE2 3.72Å; Y128-Y137 AromaticContact CG-CZ 3.99Å; Y128-Y137 PolarHBondContact N-O 3.18Å; Y128-Y137 PolarHBondContact O-N 2.76Å |
| 129 | T | 91.9 | Very high | 92.4 | Very high | 57 Ų | 57 | 52.4 Ų | 52.4 | 35% | 0.35 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 132.2 | -177 | -50.1 | 0 | 0 | 0 | 0 | 109.5 | T131 G134 R136 | T129-T131 PolarHBondContact O-N 2.99Å; T129-G134 WeakPolarHBondContact CG2-O 3.25Å; T129-R136 WeakPolarHBondContact OG1-CD 3.18Å; T129-R136 VanDerWaalsContact OG1-CZ 3.29Å; T129-R136 PolarHBondContact OG1-NE 2.82Å; T129-R136 PolarHBondContact OG1-NH1 3.1Å |
| 130 | C | 89.9 | Confident | 92.3 | Very high | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.014 | 33% | 0.325 | C | S | . | . | trans | -68 | 125.3 | 174.7 | -177.6 | 0 | 0 | 0 | 0 | 109.8 | T132 G134 G135 H146 | C130-T132 PolarHBondContact O-N 3.05Å; C130-G134 VanDerWaalsContact O-CA 3.25Å; C130-G134 WeakPolarHBondContact O-CA 3.34Å; C130-G134 PolarHBondContact O-N 3.2Å; C130-G135 VanDerWaalsContact CB-O 3.31Å; C130-G135 WeakPolarHBondContact CB-O 3.46Å; C130-G135 PolarHBondContact N-O 3.02Å; C130-H146 PolarHBondContact SG-NE2 3.03Å | ||
| 131 | T | 85.3 | Confident | 92.5 | Very high | 76 Ų | 76 | 63.2 Ų | 63.2 | 47% | 0.466 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -24.5 | -178.6 | 53.1 | 0 | 0 | 0 | 0 | 113.3 | R24 T129 | R24-T131 PolarHBondContact NH1-O 2.65Å; T129-T131 PolarHBondContact O-N 2.99Å |
| 132 | T | 84.4 | Confident | 92.5 | Very high | 10 Ų | 10 | 62 Ų | 62 | 6% | 0.061 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -55.9 | -177.7 | -50.2 | 0 | 0 | 0 | 0 | 111.8 | L19 R24 C130 L152 | L19-T132 WeakPolarHBondContact CD1-O 3.01Å; L19-T132 WeakPolarHBondContact CG-O 3.47Å; R24-T132 PolarHBondContact NH1-O 2.96Å; C130-T132 PolarHBondContact O-N 3.05Å; T132-L152 HydrophobicContact CG2-CD1 3.56Å; T132-L152 HydrophobicContact CG2-CD2 4.24Å; T132-L152 HydrophobicContact CG2-CG 3.93Å |
| 133 | C | 85.1 | Confident | 92.5 | Very high | 22 Ų | 22 | 60.4 Ų | 60.4 | 15% | 0.149 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | -3.4 | -173.6 | 67.9 | 0 | 0 | 0 | 0 | 114.9 | R24 G135 H146 L152 | R24-C133 WeakPolarHBondContact CD-O 3.31Å; C133-G135 PolarHBondContact O-N 2.69Å; C133-G135 PolarHBondContact SG-N 2.58Å; C133-H146 PolarHBondContact SG-CE1 3.12Å; C133-H146 PolarHBondContact SG-NE2 3.49Å; C133-L152 HydrophobicContact CB-CD2 3.92Å; C133-L152 HydrophobicContact CB-CG 4.4Å |
| 134 | G | 87.4 | Confident | 92.4 | Very high | 21 Ų | 21 | 62.3 Ų | 62.3 | 22% | 0.216 | 32% | 0.323 | C | S | . | . | trans | 78.5 | -1.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | T129 C130 | T129-G134 WeakPolarHBondContact CG2-O 3.25Å; C130-G134 VanDerWaalsContact O-CA 3.25Å; C130-G134 WeakPolarHBondContact O-CA 3.34Å; C130-G134 PolarHBondContact O-N 3.2Å | ||
| 135 | G | 90.1 | Very high | 92.3 | Very high | 17 Ų | 17 | 58.2 Ų | 58.2 | 18% | 0.175 | 31% | 0.309 | C | S | . | . | trans | -60.8 | 136.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | C130 C133 | C130-G135 VanDerWaalsContact CB-O 3.31Å; C130-G135 WeakPolarHBondContact CB-O 3.46Å; C130-G135 PolarHBondContact N-O 3.02Å; C133-G135 PolarHBondContact O-N 2.69Å; C133-G135 PolarHBondContact SG-N 2.58Å | ||
| 136 | R | 93.3 | Very high | 92.1 | Very high | 88 Ų | 88 | 54.8 Ų | 54.8 | 33% | 0.332 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 142.1 | -177.7 | -65 | -64.9 | -173.5 | 151.5 | 6.9 | 112.3 | F118 C120 S126 Y128 T129 | F118-R136 WeakPolarHBondContact O-CB 3.43Å; C120-R136 PolarHBondContact N-O 3.29Å; C120-R136 PolarHBondContact SG-O 3.15Å; S126-R136 WeakPolarHBondContact OG-CB 3.16Å; Y128-R136 WeakPolarHBondContact O-CA 3.4Å; T129-R136 WeakPolarHBondContact OG1-CD 3.18Å; T129-R136 VanDerWaalsContact OG1-CZ 3.29Å; T129-R136 PolarHBondContact OG1-NE 2.82Å; T129-R136 PolarHBondContact OG1-NH1 3.1Å |
| 137 | Y | 95.4 | Very high | 91.8 | Very high | 34 Ų | 34 | 58.7 Ų | 58.7 | 13% | 0.133 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 155.4 | 177.4 | 66.7 | -89.4 | 0 | 0 | 0 | 112.7 | S126 Y128 S139 L143 | S126-Y137 WeakPolarHBondContact CB-O 3.48Å; Y128-Y137 HydrophobicContact CD2-CD2 4.17Å; Y128-Y137 AromaticContact CD2-CE2 3.85Å; Y128-Y137 HydrophobicContact CD2-CE2 3.85Å; Y128-Y137 HydrophobicContact CG-CD2 4.33Å; Y128-Y137 AromaticContact CG-CE2 3.72Å; Y128-Y137 HydrophobicContact CG-CE2 3.72Å; Y128-Y137 AromaticContact CG-CZ 3.99Å; Y128-Y137 PolarHBondContact N-O 3.18Å; Y128-Y137 PolarHBondContact O-N 2.76Å; Y137-S139 VanDerWaalsContact CD2-O 3.25Å; Y137-S139 WeakPolarHBondContact CD2-O 3.23Å; Y137-L143 HydrophobicContact CD1-CB 4.42Å; Y137-L143 HydrophobicContact CD1-CD1 4Å; Y137-L143 HydrophobicContact CD2-CB 3.88Å; Y137-L143 HydrophobicContact CE1-CB 4.39Å; Y137-L143 HydrophobicContact CE1-CD1 3.71Å; Y137-L143 HydrophobicContact CE1-CD2 4.4Å; Y137-L143 HydrophobicContact CE1-CG 4.38Å; Y137-L143 HydrophobicContact CE2-CB 3.85Å; Y137-L143 HydrophobicContact CE2-CD2 4.23Å; Y137-L143 HydrophobicContact CE2-CG 4.45Å; Y137-L143 HydrophobicContact CG-CB 4.17Å |
| 138 | C | 96.3 | Very high | 91.6 | Very high | 33 Ų | 33 | 58.9 Ų | 58.9 | 22% | 0.223 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -96.4 | -27.9 | -179.4 | 64.7 | 0 | 0 | 0 | 0 | 114 | C119 C122 P125 | C119-C138 HydrophobicContact CB-CB 4.02Å; C122-C138 PolarHBondContact SG-SG 2.99Å; P125-C138 WeakPolarHBondContact O-CB 3.14Å |
| 139 | S | 95.6 | Very high | 91.3 | Very high | 42 Ų | 42 | 55.9 Ų | 55.9 | 29% | 0.294 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -148.2 | 164.6 | -174.5 | 64.6 | 0 | 0 | 0 | 0 | 112.8 | Y137 R141 C142 L143 | Y137-S139 VanDerWaalsContact CD2-O 3.25Å; Y137-S139 WeakPolarHBondContact CD2-O 3.23Å; S139-R141 VanDerWaalsContact C-N 3.25Å; S139-R141 PolarHBondContact O-N 2.77Å; S139-C142 WeakPolarHBondContact O-CB 3.29Å; S139-C142 PolarHBondContact O-N 2.93Å; S139-C142 VanDerWaalsContact O-N 3.09Å; S139-C142 PolarHBondContact OG-N 3.42Å; S139-L143 PolarHBondContact O-N 3.12Å |
| 140 | S | 93.8 | Very high | 91 | Very high | 87 Ų | 87 | 57.3 Ų | 57.3 | 61% | 0.608 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -57.8 | -36.2 | 175.2 | 55.8 | 0 | 0 | 0 | 0 | 112.9 | L143 L144 | S140-L143 WeakPolarHBondContact O-CB 3.42Å; S140-L143 PolarHBondContact O-N 3.22Å; S140-L143 VanDerWaalsContact O-N 3.16Å; S140-L144 WeakPolarHBondContact O-CG 3.49Å; S140-L144 PolarHBondContact O-N 3.04Å |
| 141 | R | 95.3 | Very high | 90.8 | Very high | 202 Ų | 202 | 58.5 Ų | 58.5 | 76% | 0.762 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -59.4 | -47.6 | 173.7 | -65.8 | -176.9 | -176.7 | -179.9 | 1.3 | 111.1 | S139 L143 L144 T145 | S139-R141 VanDerWaalsContact C-N 3.25Å; S139-R141 PolarHBondContact O-N 2.77Å; R141-L143 VanDerWaalsContact C-N 3.3Å; R141-L143 PolarHBondContact O-N 3.48Å; R141-L144 PolarHBondContact O-N 3.16Å; R141-T145 PolarHBondContact O-N 2.81Å; R141-T145 VanDerWaalsContact O-N 3.12Å; R141-T145 PolarHBondContact O-OG1 3.5Å |
| 142 | C | 95.6 | Very high | 90.3 | Very high | 13 Ų | 13 | 57.3 Ų | 57.3 | 9% | 0.088 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.1 | -33.8 | 175.7 | -69.3 | 0 | 0 | 0 | 0 | 112 | V121 C122 S139 H146 | V121-C142 HydrophobicContact CB-CB 4.06Å; V121-C142 HydrophobicContact CG1-CB 4.45Å; V121-C142 HydrophobicContact CG2-CB 4.14Å; V121-C142 WeakPolarHBondContact CG2-O 3.25Å; C122-C142 VanDerWaalsContact SG-SG 3.64Å; S139-C142 WeakPolarHBondContact O-CB 3.29Å; S139-C142 PolarHBondContact O-N 2.93Å; S139-C142 VanDerWaalsContact O-N 3.09Å; S139-C142 PolarHBondContact OG-N 3.42Å; C142-H146 WeakPolarHBondContact O-CB 3.31Å; C142-H146 PolarHBondContact O-N 3.41Å |
| 143 | L | 93.4 | Very high | 89.3 | Confident | 22 Ų | 22 | 63.5 Ų | 63.5 | 12% | 0.115 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.4 | -41 | 174.1 | 177.2 | 61.3 | 0 | 0 | 0 | 112.2 | Y137 S139 S140 R141 H146 R147 | Y137-L143 HydrophobicContact CD1-CB 4.42Å; Y137-L143 HydrophobicContact CD1-CD1 4Å; Y137-L143 HydrophobicContact CD2-CB 3.88Å; Y137-L143 HydrophobicContact CE1-CB 4.39Å; Y137-L143 HydrophobicContact CE1-CD1 3.71Å; Y137-L143 HydrophobicContact CE1-CD2 4.4Å; Y137-L143 HydrophobicContact CE1-CG 4.38Å; Y137-L143 HydrophobicContact CE2-CB 3.85Å; Y137-L143 HydrophobicContact CE2-CD2 4.23Å; Y137-L143 HydrophobicContact CE2-CG 4.45Å; Y137-L143 HydrophobicContact CG-CB 4.17Å; S139-L143 PolarHBondContact O-N 3.12Å; S140-L143 WeakPolarHBondContact O-CB 3.42Å; S140-L143 PolarHBondContact O-N 3.22Å; S140-L143 VanDerWaalsContact O-N 3.16Å; R141-L143 VanDerWaalsContact C-N 3.3Å; R141-L143 PolarHBondContact O-N 3.48Å; L143-H146 PolarHBondContact O-N 3.42Å; L143-R147 HydrophobicContact CD1-CG 4.23Å; L143-R147 WeakPolarHBondContact O-CB 3.49Å; L143-R147 VanDerWaalsContact O-CG 3.28Å; L143-R147 WeakPolarHBondContact O-CG 3.33Å; L143-R147 PolarHBondContact O-N 3.32Å |
| 144 | L | 93.6 | Very high | 87.8 | Confident | 85 Ų | 85 | 70 Ų | 70 | 45% | 0.445 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.1 | -52.8 | 176.6 | -67.4 | 173.2 | 0 | 0 | 0 | 110.8 | S140 R141 H146 R147 E148 | S140-L144 WeakPolarHBondContact O-CG 3.49Å; S140-L144 PolarHBondContact O-N 3.04Å; R141-L144 PolarHBondContact O-N 3.16Å; L144-H146 VanDerWaalsContact C-N 3.27Å; L144-H146 PolarHBondContact O-N 3.25Å; L144-R147 WeakPolarHBondContact O-CB 3.35Å; L144-R147 PolarHBondContact O-N 2.99Å; L144-E148 WeakPolarHBondContact O-CG 3.38Å; L144-E148 PolarHBondContact O-N 2.72Å |
| 145 | T | 93.5 | Very high | 86.2 | Confident | 52 Ų | 52 | 70.2 Ų | 70.2 | 32% | 0.319 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.3 | -40.1 | 176.7 | -51.9 | 0 | 0 | 0 | 0 | 111.9 | V121 R141 E148 T149 | V121-T145 HydrophobicContact CG1-CG2 3.9Å; R141-T145 PolarHBondContact O-N 2.81Å; R141-T145 VanDerWaalsContact O-N 3.12Å; R141-T145 PolarHBondContact O-OG1 3.5Å; T145-E148 PolarHBondContact O-N 3.06Å; T145-T149 PolarHBondContact O-N 2.9Å; T145-T149 PolarHBondContact O-OG1 2.82Å |
| 146 | H | 92.3 | Very high | 83.9 | Confident | 4 Ų | 4 | 76.1 Ų | 76.1 | 2% | 0.019 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.8 | -49 | 174.3 | 166.7 | 79.9 | 0 | 0 | 0 | 110.9 | V121 C130 C133 C142 L143 L144 E148 T149 R150 C151 | V121-H146 HydrophobicContact CG2-CB 4.02Å; C130-H146 PolarHBondContact SG-NE2 3.03Å; C133-H146 PolarHBondContact SG-CE1 3.12Å; C133-H146 PolarHBondContact SG-NE2 3.49Å; C142-H146 WeakPolarHBondContact O-CB 3.31Å; C142-H146 PolarHBondContact O-N 3.41Å; L143-H146 PolarHBondContact O-N 3.42Å; L144-H146 VanDerWaalsContact C-N 3.27Å; L144-H146 PolarHBondContact O-N 3.25Å; H146-E148 VanDerWaalsContact C-N 3.31Å; H146-E148 PolarHBondContact O-N 3.02Å; H146-T149 PolarHBondContact O-N 3.21Å; H146-R150 CarbonylContact O-C 3.45Å; H146-R150 WeakPolarHBondContact O-CA 3.39Å; H146-R150 PolarHBondContact O-N 3.14Å; H146-C151 WeakPolarHBondContact NE2-CB 3.06Å; H146-C151 WeakPolarHBondContact O-CB 3.45Å; H146-C151 PolarHBondContact O-N 3.35Å |
| 147 | R | 89.7 | Confident | 83.4 | Confident | 91 Ų | 91 | 75.5 Ų | 75.5 | 34% | 0.343 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.8 | -39.9 | 178.9 | -77.1 | 172.2 | 174.1 | 171.8 | -2 | 112.7 | L143 L144 | L143-R147 HydrophobicContact CD1-CG 4.23Å; L143-R147 WeakPolarHBondContact O-CB 3.49Å; L143-R147 VanDerWaalsContact O-CG 3.28Å; L143-R147 WeakPolarHBondContact O-CG 3.33Å; L143-R147 PolarHBondContact O-N 3.32Å; L144-R147 WeakPolarHBondContact O-CB 3.35Å; L144-R147 PolarHBondContact O-N 2.99Å |
| 148 | E | 89.1 | Confident | 82.8 | Confident | 153 Ų | 153 | 77.7 Ų | 77.7 | 72% | 0.715 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -75 | -38.5 | -177.6 | -70.4 | 166.8 | -167 | 0 | 0 | 113.4 | L144 T145 H146 | L144-E148 WeakPolarHBondContact O-CG 3.38Å; L144-E148 PolarHBondContact O-N 2.72Å; T145-E148 PolarHBondContact O-N 3.06Å; H146-E148 VanDerWaalsContact C-N 3.31Å; H146-E148 PolarHBondContact O-N 3.02Å |
| 149 | T | 87.3 | Confident | 82.1 | Confident | 62 Ų | 62 | 80.2 Ų | 80.2 | 38% | 0.38 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -117.3 | -19.1 | -165.8 | 61.2 | 0 | 0 | 0 | 0 | 114.9 | T145 H146 K153 | T145-T149 PolarHBondContact O-N 2.9Å; T145-T149 PolarHBondContact O-OG1 2.82Å; H146-T149 PolarHBondContact O-N 3.21Å; T149-K153 WeakPolarHBondContact O-CD 3.48Å |
| 150 | R | 84.6 | Confident | 81.3 | Confident | 88 Ų | 88 | 82.4 Ų | 82.4 | 33% | 0.332 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.5 | -27.2 | -167.4 | -66.7 | 176.4 | 176.5 | 82.9 | -10.5 | 114.5 | C120 H146 L152 | C120-R150 PolarHBondContact O-NE 3.03Å; C120-R150 VanDerWaalsContact O-NE 3.17Å; H146-R150 CarbonylContact O-C 3.45Å; H146-R150 WeakPolarHBondContact O-CA 3.39Å; H146-R150 PolarHBondContact O-N 3.14Å; R150-L152 PolarHBondContact O-N 2.8Å |
| 151 | C | 86.6 | Confident | 80.5 | Confident | 26 Ų | 26 | 82.1 Ų | 82.1 | 18% | 0.176 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | 119.5 | -174.9 | -170.8 | 0 | 0 | 0 | 0 | 110 | H146 K153 | H146-C151 WeakPolarHBondContact NE2-CB 3.06Å; H146-C151 WeakPolarHBondContact O-CB 3.45Å; H146-C151 PolarHBondContact O-N 3.35Å; C151-K153 PolarHBondContact O-N 3.04Å |
| 152 | L | 74 | Confident | 79.5 | Confident | 51 Ų | 51 | 74.1 Ų | 74.1 | 27% | 0.267 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | -4.1 | -179.2 | -58 | 175.4 | 0 | 0 | 0 | 117 | L19 T132 C133 R150 W154 T155 | L19-L152 HydrophobicContact CD1-CD2 4.39Å; T132-L152 HydrophobicContact CG2-CD1 3.56Å; T132-L152 HydrophobicContact CG2-CD2 4.24Å; T132-L152 HydrophobicContact CG2-CG 3.93Å; C133-L152 HydrophobicContact CB-CD2 3.92Å; C133-L152 HydrophobicContact CB-CG 4.4Å; R150-L152 PolarHBondContact O-N 2.8Å; L152-W154 VanDerWaalsContact C-N 3.28Å; L152-W154 PolarHBondContact O-N 3.33Å; L152-T155 WeakPolarHBondContact CA-OG1 3.08Å; L152-T155 WeakPolarHBondContact CD2-OG1 3.46Å |
| 153 | K | 63.8 | Low | 78.3 | Confident | 141 Ų | 141 | 78.5 Ų | 78.5 | 61% | 0.613 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -34.3 | 177.3 | -173.9 | 170.9 | -177.3 | 171.1 | 0 | 112.8 | T149 C151 | T149-K153 WeakPolarHBondContact O-CD 3.48Å; C151-K153 PolarHBondContact O-N 3.04Å |
| 154 | W | 53.1 | Low | 77.2 | Confident | 157 Ų | 157 | 82.8 Ų | 82.8 | 60% | 0.595 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -105.3 | -10.7 | -176.1 | -55.1 | 102.8 | 0 | 0 | 0 | 113 | Q31 L152 | Q31-W154 VanDerWaalsContact CG-O 3.22Å; Q31-W154 WeakPolarHBondContact CG-O 3.25Å; Q31-W154 PolarHBondContact NE2-O 3.39Å; Q31-W154 VanDerWaalsContact NE2-O 3.16Å; Q31-W154 PolarHBondContact OE1-O 3.21Å; L152-W154 VanDerWaalsContact C-N 3.28Å; L152-W154 PolarHBondContact O-N 3.33Å |
| 155 | T | 54.3 | Low | 75.8 | Confident | 26 Ų | 26 | 82.7 Ų | 82.7 | 16% | 0.16 | 39% | 0.388 | C | S | . | . | trans | -101.4 | 21.3 | -179.6 | 61 | 0 | 0 | 0 | 0 | 113.1 | R27 L152 | R27-T155 PolarHBondContact NH1-O 3.19Å; L152-T155 WeakPolarHBondContact CA-OG1 3.08Å; L152-T155 WeakPolarHBondContact CD2-OG1 3.46Å | ||
| 156 | L | 41.6 | Very low | 74.2 | Confident | 141 Ų | 141 | 85.5 Ų | 85.5 | 74% | 0.738 | 39% | 0.394 | S | S | * | . | trans | -107.9 | 0 | 177.4 | -93.9 | 173.6 | 0 | 0 | 0 | 110.7 | R30 | R30-L156 PolarHBondContact NH1-OXT 3.13Å; R30-L156 PolarHBondContact NH2-OXT 3.01Å |
Retrieved 156 of 156 residues in 118.8 ms
(Link to these results)