| 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 | 49.4 | Very low | 75.5 | Confident | 239 Ų | 239 | 166.2 Ų | 166.2 | 100% | 1.177 | 82% | 0.818 | S | S | * | * | 0 | 97.7 | 0 | -69 | -77.9 | -104.1 | 0 | 0 | 108.1 | K3 | M1-K3 PolarHBondContact O-N 3.42Š| |||
| 2 | S | 63.8 | Low | 76.8 | Confident | 112 Ų | 112 | 160.5 Ų | 160.5 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | trans | -73 | 115.8 | -177.6 | -177.7 | 0 | 0 | 0 | 0 | 109.6 | R4 | S2-R4 PolarHBondContact O-N 3.01Š| ||
| 3 | K | 69.6 | Low | 77.9 | Confident | 197 Ų | 197 | 155.8 Ų | 155.8 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | trans | -66.5 | 97.4 | 171.1 | -78.5 | 176.6 | 179.1 | 176.1 | 0 | 107 | M1 N5 | M1-K3 PolarHBondContact O-N 3.42Å; K3-N5 PolarHBondContact O-N 3.44Å | ||
| 4 | R | 69.1 | Low | 78.8 | Confident | 223 Ų | 223 | 151.9 Ų | 151.9 | 84% | 0.842 | 78% | 0.78 | S | S | * | * | trans | -55.4 | 132 | 174.2 | -72.6 | -179 | 176.7 | 112.6 | -2.5 | 109 | S2 Q6 | S2-R4 PolarHBondContact O-N 3.01Å; R4-Q6 PolarHBondContact O-N 2.92Å | ||
| 5 | N | 70.9 | Confident | 79.8 | Confident | 153 Ų | 153 | 146.9 Ų | 146.9 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | -52.4 | 99.7 | -175.9 | -59.5 | 5.6 | 0 | 0 | 0 | 111.4 | K3 V7 | K3-N5 PolarHBondContact O-N 3.44Å; N5-V7 PolarHBondContact O-N 3.3Å | ||
| 6 | Q | 77.6 | Confident | 80.7 | Confident | 195 Ų | 195 | 141.9 Ų | 141.9 | 91% | 0.911 | 75% | 0.749 | S | S | * | * | trans | -81.7 | 91.4 | 172.1 | -73.4 | -180 | -14.4 | 0 | 0 | 108.4 | R4 | R4-Q6 PolarHBondContact O-N 2.92Š| ||
| 7 | V | 82.5 | Confident | 81.5 | Confident | 137 Ų | 137 | 142.7 Ų | 142.7 | 83% | 0.83 | 75% | 0.745 | S | S | * | * | trans | -99.9 | 114.4 | 169.4 | -177.8 | 0 | 0 | 0 | 0 | 107.7 | N5 | N5-V7 PolarHBondContact O-N 3.3Š| ||
| 8 | S | 84.4 | Confident | 82.1 | Confident | 100 Ų | 100 | 139 Ų | 139 | 70% | 0.699 | 73% | 0.726 | S | S | * | * | trans | -106.7 | 133.3 | 172.4 | 57.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 9 | Y | 87.4 | Confident | 82.7 | Confident | 188 Ų | 188 | 134.1 Ų | 134.1 | 74% | 0.737 | 71% | 0.707 | S | S | * | * | trans | -82.4 | 126.4 | 173.1 | 176 | -107.7 | 0 | 0 | 0 | 110.2 | R11 | Y9-R11 HydrophobicContact CE1-CB 3.96Å; Y9-R11 HydrophobicContact CE1-CG 4.43Å | ||
| 10 | V | 88.7 | Confident | 83.3 | Confident | 117 Ų | 117 | 136.2 Ų | 136.2 | 71% | 0.709 | 71% | 0.705 | S | S | * | * | trans | -107.1 | 121.2 | 171.3 | -179.7 | 0 | 0 | 0 | 0 | 107.6 | P12 | V10-P12 WeakPolarHBondContact O-CD 3.48Š| ||
| 11 | R | 87.3 | Confident | 83.9 | Confident | 167 Ų | 167 | 134.8 Ų | 134.8 | 63% | 0.63 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 117.6 | 176.6 | -169.8 | -177.2 | -64.1 | 176.6 | 2.3 | 109.1 | Y9 | Y9-R11 HydrophobicContact CE1-CB 3.96Å; Y9-R11 HydrophobicContact CE1-CG 4.43Å |
| 12 | P | 90.7 | Very high | 86 | Confident | 98 Ų | 98 | 125.6 Ų | 125.6 | 64% | 0.636 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 155.5 | 176 | 28.7 | -33.7 | 0 | 0 | 0 | 111.1 | V10 | V10-P12 WeakPolarHBondContact O-CD 3.48Š|
| 13 | A | 91.3 | Very high | 87.4 | Confident | 100 Ų | 100 | 128 Ų | 128 | 83% | 0.826 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -65 | 142.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 14 | E | 90.2 | Very high | 88.6 | Confident | 100 Ų | 100 | 128.7 Ų | 128.7 | 47% | 0.467 | 64% | 0.643 | S | S | . | * | P | Polyproline II helix | trans | -68.7 | 138.4 | 177.3 | -59 | -161.9 | 150.7 | 0 | 0 | 111 | K22 | E14-K22 IonicContact OE1-NZ 3.09Å; E14-K22 PolarHBondContact OE1-NZ 3.14Å; E14-K22 WeakPolarHBondContact OE2-CE 3.4Å; E14-K22 IonicContact OE2-NZ 2.61Å; E14-K22 PolarHBondContact OE2-NZ 3.39Å |
| 15 | P | 94.8 | Very high | 89.8 | Confident | 78 Ų | 78 | 122 Ų | 122 | 51% | 0.506 | 63% | 0.627 | S | S | . | * | P | Polyproline II helix | trans | -65.7 | 145.1 | 177 | 27.8 | -34.4 | 0 | 0 | 0 | 111 | F17 L18 A19 | P15-F17 PolarHBondContact O-N 3.43Å; P15-L18 HydrophobicContact CG-CB 4.16Å; P15-L18 HydrophobicContact CG-CD1 3.66Å; P15-L18 HydrophobicContact CG-CG 3.91Å; P15-L18 PolarHBondContact O-N 3.36Å; P15-A19 PolarHBondContact O-N 3.16Å |
| 16 | A | 93.9 | Very high | 90.9 | Very high | 67 Ų | 67 | 117.4 Ų | 117.4 | 55% | 0.554 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -55.8 | -29.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | R20 | A16-R20 WeakPolarHBondContact O-CG 3.36Å; A16-R20 PolarHBondContact O-N 3.08Å; A16-R20 VanDerWaalsContact O-N 3.16Å |
| 17 | F | 94.4 | Very high | 91.6 | Very high | 155 Ų | 155 | 114.6 Ų | 114.6 | 68% | 0.68 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -62.7 | -47.3 | 174.3 | 169.4 | -99.7 | 0 | 0 | 0 | 112.3 | P15 F21 | P15-F17 PolarHBondContact O-N 3.43Å; F17-F21 WeakPolarHBondContact O-CB 3.25Å; F17-F21 PolarHBondContact O-N 3.06Å |
| 18 | L | 92.4 | Very high | 91.9 | Very high | 76 Ų | 76 | 119 Ų | 119 | 40% | 0.398 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -68.5 | -38.2 | -179.5 | -71.5 | 178.9 | 0 | 0 | 0 | 111.4 | P15 F21 K22 | P15-L18 HydrophobicContact CG-CB 4.16Å; P15-L18 HydrophobicContact CG-CD1 3.66Å; P15-L18 HydrophobicContact CG-CG 3.91Å; P15-L18 PolarHBondContact O-N 3.36Å; L18-F21 PolarHBondContact O-N 3.49Å; L18-K22 WeakPolarHBondContact O-CB 3.36Å; L18-K22 WeakPolarHBondContact O-CG 3.44Å; L18-K22 PolarHBondContact O-N 3.21Å |
| 19 | A | 92.1 | Very high | 91.9 | Very high | 45 Ų | 45 | 119.9 Ų | 119.9 | 37% | 0.372 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -59.3 | -50.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | P15 F21 K22 E23 | P15-A19 PolarHBondContact O-N 3.16Å; A19-F21 VanDerWaalsContact C-N 3.3Å; A19-F21 PolarHBondContact O-N 3.19Å; A19-K22 PolarHBondContact O-N 3.42Å; A19-E23 PolarHBondContact O-N 2.88Å |
| 20 | R | 94.9 | Very high | 91.8 | Very high | 176 Ų | 176 | 113 Ų | 113 | 66% | 0.664 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63 | -36.5 | 177.4 | -70.6 | 175.2 | -179 | -175.9 | 0.9 | 112.6 | A16 R24 | A16-R20 WeakPolarHBondContact O-CG 3.36Å; A16-R20 PolarHBondContact O-N 3.08Å; A16-R20 VanDerWaalsContact O-N 3.16Å; R20-R24 WeakPolarHBondContact O-CB 3.37Å; R20-R24 PolarHBondContact O-N 3.32Å; R20-R24 VanDerWaalsContact O-N 3.08Å |
| 21 | F | 95.8 | Very high | 91.6 | Very high | 108 Ų | 108 | 113 Ų | 113 | 47% | 0.474 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.5 | -49.9 | 177.7 | -179.4 | -96.2 | 0 | 0 | 0 | 111.2 | F17 L18 A19 E23 R24 V25 | F17-F21 WeakPolarHBondContact O-CB 3.25Å; F17-F21 PolarHBondContact O-N 3.06Å; L18-F21 PolarHBondContact O-N 3.49Å; A19-F21 VanDerWaalsContact C-N 3.3Å; A19-F21 PolarHBondContact O-N 3.19Å; F21-E23 VanDerWaalsContact C-N 3.28Å; F21-E23 PolarHBondContact O-N 3.42Å; F21-R24 PolarHBondContact O-N 2.92Å; F21-R24 VanDerWaalsContact O-N 3.17Å; F21-V25 HydrophobicContact CD1-CG2 4.39Å; F21-V25 HydrophobicContact CD2-CG1 4.43Å; F21-V25 HydrophobicContact CE1-CG1 4.12Å; F21-V25 HydrophobicContact CE1-CG2 4.17Å; F21-V25 HydrophobicContact CE2-CG1 3.99Å; F21-V25 HydrophobicContact CZ-CG1 3.82Å; F21-V25 WeakPolarHBondContact O-CG2 3.36Å; F21-V25 PolarHBondContact O-N 3.38Å |
| 22 | K | 94.6 | Very high | 91.5 | Very high | 46 Ų | 46 | 107.7 Ų | 107.7 | 20% | 0.2 | 57% | 0.567 | C | S | . | * | H | α-helix | trans | -55.8 | -42.4 | 176.6 | -76.6 | 179.5 | 174 | -174.3 | 0 | 112 | E14 L18 A19 G26 Y27 E29 | E14-K22 IonicContact OE1-NZ 3.09Å; E14-K22 PolarHBondContact OE1-NZ 3.14Å; E14-K22 WeakPolarHBondContact OE2-CE 3.4Å; E14-K22 IonicContact OE2-NZ 2.61Å; E14-K22 PolarHBondContact OE2-NZ 3.39Å; L18-K22 WeakPolarHBondContact O-CB 3.36Å; L18-K22 WeakPolarHBondContact O-CG 3.44Å; L18-K22 PolarHBondContact O-N 3.21Å; A19-K22 PolarHBondContact O-N 3.42Å; K22-G26 PolarHBondContact O-N 3.38Å; K22-G26 VanDerWaalsContact O-N 3.11Å; K22-Y27 HydrophobicContact CD-CD1 3.99Å; K22-Y27 HydrophobicContact CG-CD1 3.97Å; K22-Y27 HydrophobicContact CG-CG 4.2Å; K22-Y27 PolarHBondContact O-N 3.09Å; K22-E29 IonicContact NZ-OE1 3.34Å; K22-E29 PolarHBondContact NZ-OE1 2.84Å |
| 23 | E | 92.6 | Very high | 91 | Very high | 162 Ų | 162 | 108.8 Ų | 108.8 | 76% | 0.757 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -62.7 | -47.5 | 176.3 | -173.4 | -178.7 | -176 | 0 | 0 | 111.8 | A19 F21 V25 G26 | A19-E23 PolarHBondContact O-N 2.88Å; F21-E23 VanDerWaalsContact C-N 3.28Å; F21-E23 PolarHBondContact O-N 3.42Å; E23-V25 VanDerWaalsContact C-N 3.34Å; E23-V25 PolarHBondContact O-N 3.47Å; E23-G26 PolarHBondContact O-N 2.95Å |
| 24 | R | 94.9 | Very high | 90.4 | Very high | 212 Ų | 212 | 110.4 Ų | 110.4 | 80% | 0.8 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.5 | -37.4 | -178.9 | -174.8 | 177 | -64.3 | 162.2 | 0.6 | 113.3 | R20 F21 G26 | R20-R24 WeakPolarHBondContact O-CB 3.37Å; R20-R24 PolarHBondContact O-N 3.32Å; R20-R24 VanDerWaalsContact O-N 3.08Å; F21-R24 PolarHBondContact O-N 2.92Å; F21-R24 VanDerWaalsContact O-N 3.17Å; R24-G26 VanDerWaalsContact C-N 3.34Å |
| 25 | V | 94.9 | Very high | 90 | Very high | 83 Ų | 83 | 109.1 Ų | 109.1 | 50% | 0.503 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90 | -0.2 | -179.3 | -53.9 | 0 | 0 | 0 | 0 | 112.9 | F21 E23 Y27 | F21-V25 HydrophobicContact CD1-CG2 4.39Å; F21-V25 HydrophobicContact CD2-CG1 4.43Å; F21-V25 HydrophobicContact CE1-CG1 4.12Å; F21-V25 HydrophobicContact CE1-CG2 4.17Å; F21-V25 HydrophobicContact CE2-CG1 3.99Å; F21-V25 HydrophobicContact CZ-CG1 3.82Å; F21-V25 WeakPolarHBondContact O-CG2 3.36Å; F21-V25 PolarHBondContact O-N 3.38Å; E23-V25 VanDerWaalsContact C-N 3.34Å; E23-V25 PolarHBondContact O-N 3.47Å; V25-Y27 VanDerWaalsContact C-N 3.3Å; V25-Y27 PolarHBondContact O-N 2.91Å |
| 26 | G | 92.7 | Very high | 89.1 | Confident | 55 Ų | 55 | 113.7 Ų | 113.7 | 57% | 0.567 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.3 | 32.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | K22 E23 R24 R28 | K22-G26 PolarHBondContact O-N 3.38Å; K22-G26 VanDerWaalsContact O-N 3.11Å; E23-G26 PolarHBondContact O-N 2.95Å; R24-G26 VanDerWaalsContact C-N 3.34Å; G26-R28 PolarHBondContact O-N 2.89Å |
| 27 | Y | 92.4 | Very high | 88.6 | Confident | 137 Ų | 137 | 120.4 Ų | 120.4 | 54% | 0.537 | 58% | 0.579 | S | S | . | * | trans | -62.6 | 125.1 | -178.3 | -177.5 | -98.5 | 0 | 0 | 0 | 110.9 | K22 V25 E29 | K22-Y27 HydrophobicContact CD-CD1 3.99Å; K22-Y27 HydrophobicContact CG-CD1 3.97Å; K22-Y27 HydrophobicContact CG-CG 4.2Å; K22-Y27 PolarHBondContact O-N 3.09Å; V25-Y27 VanDerWaalsContact C-N 3.3Å; V25-Y27 PolarHBondContact O-N 2.91Å; Y27-E29 HydrophobicContact CD1-CG 4.33Å; Y27-E29 HydrophobicContact CE1-CG 3.81Å | ||
| 28 | R | 88.8 | Confident | 87.8 | Confident | 228 Ų | 228 | 118.7 Ų | 118.7 | 86% | 0.86 | 58% | 0.575 | S | S | * | * | trans | -106.3 | 124.9 | 171.9 | -65.4 | -165.4 | 172.6 | -169.8 | -1.2 | 109.2 | G26 G30 | G26-R28 PolarHBondContact O-N 2.89Å; R28-G30 PolarHBondContact O-N 3.31Å | ||
| 29 | E | 85.1 | Confident | 86.9 | Confident | 120 Ų | 120 | 123.4 Ų | 123.4 | 56% | 0.561 | 60% | 0.595 | S | S | * | * | trans | -62.1 | 130.1 | 176.4 | -73.6 | -178.7 | 178.3 | 0 | 0 | 110.1 | K22 Y27 | K22-E29 IonicContact NZ-OE1 3.34Å; K22-E29 PolarHBondContact NZ-OE1 2.84Å; Y27-E29 HydrophobicContact CD1-CG 4.33Å; Y27-E29 HydrophobicContact CE1-CG 3.81Å | ||
| 30 | G | 85.3 | Confident | 85.7 | Confident | 43 Ų | 43 | 126.6 Ų | 126.6 | 44% | 0.443 | 61% | 0.612 | S | S | . | * | trans | -72.9 | 175.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | R28 T32 | R28-G30 PolarHBondContact O-N 3.31Å; G30-T32 PolarHBondContact O-N 2.92Å; G30-T32 PolarHBondContact O-OG1 3.45Å | ||
| 31 | P | 85.6 | Confident | 84.4 | Confident | 118 Ų | 118 | 126.7 Ų | 126.7 | 77% | 0.766 | 62% | 0.62 | S | S | * | * | trans | -53.6 | 114.6 | 176.9 | -24.6 | 34.2 | 0 | 0 | 0 | 111.3 | T35 | P31-T35 WeakPolarHBondContact CB-OG1 3.26Š| ||
| 32 | T | 84.5 | Confident | 82.9 | Confident | 54 Ų | 54 | 126.4 Ų | 126.4 | 33% | 0.331 | 63% | 0.629 | S | S | . | * | trans | -86.5 | 164 | 179.3 | -64.1 | 0 | 0 | 0 | 0 | 110.2 | G30 E34 T35 | G30-T32 PolarHBondContact O-N 2.92Å; G30-T32 PolarHBondContact O-OG1 3.45Å; T32-E34 PolarHBondContact O-N 2.96Å; T32-T35 PolarHBondContact N-OG1 3.49Å; T32-T35 WeakPolarHBondContact O-CB 3.45Å; T32-T35 PolarHBondContact O-N 3.43Å; T32-T35 PolarHBondContact O-OG1 3.19Å | ||
| 33 | I | 79.7 | Confident | 81.5 | Confident | 122 Ų | 122 | 129.5 Ų | 129.5 | 63% | 0.626 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -52.4 | -31.9 | 176.2 | -60.3 | 167.7 | 0 | 0 | 0 | 112.2 | T35 K36 | I33-T35 VanDerWaalsContact C-N 3.32Å; I33-T35 PolarHBondContact O-N 3.09Å; I33-K36 WeakPolarHBondContact O-CB 3.5Å; I33-K36 PolarHBondContact O-N 3.15Å; I33-K36 VanDerWaalsContact O-N 3.14Å |
| 34 | E | 79.2 | Confident | 79.9 | Confident | 134 Ų | 134 | 128.9 Ų | 128.9 | 63% | 0.626 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -63.1 | -34.8 | 174.8 | -64.5 | -171.6 | 171.9 | 0 | 0 | 112.9 | T32 K36 R37 I38 | T32-E34 PolarHBondContact O-N 2.96Å; E34-K36 PolarHBondContact O-N 3.09Å; E34-R37 WeakPolarHBondContact O-CB 3.35Å; E34-R37 PolarHBondContact O-N 3.39Å; E34-I38 PolarHBondContact O-N 2.97Å |
| 35 | T | 80.5 | Confident | 78 | Confident | 72 Ų | 72 | 127.1 Ų | 127.1 | 44% | 0.442 | 66% | 0.657 | S | S | . | * | G | 310 helix | trans | -66.8 | -20.3 | 176.3 | 72.9 | 0 | 0 | 0 | 0 | 112.2 | P31 T32 I33 | P31-T35 WeakPolarHBondContact CB-OG1 3.26Å; T32-T35 PolarHBondContact N-OG1 3.49Å; T32-T35 WeakPolarHBondContact O-CB 3.45Å; T32-T35 PolarHBondContact O-N 3.43Å; T32-T35 PolarHBondContact O-OG1 3.19Å; I33-T35 VanDerWaalsContact C-N 3.32Å; I33-T35 PolarHBondContact O-N 3.09Å |
| 36 | K | 77.8 | Confident | 76.1 | Confident | 175 Ų | 175 | 130.6 Ų | 130.6 | 76% | 0.761 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -81.4 | -18.5 | 172.6 | -57.8 | -174.2 | 177.9 | -175.9 | 0 | 113.5 | I33 E34 | I33-K36 WeakPolarHBondContact O-CB 3.5Å; I33-K36 PolarHBondContact O-N 3.15Å; I33-K36 VanDerWaalsContact O-N 3.14Å; E34-K36 PolarHBondContact O-N 3.09Å |
| 37 | R | 82.1 | Confident | 74.3 | Confident | 208 Ų | 208 | 129.6 Ų | 129.6 | 79% | 0.785 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -20.9 | 177.8 | -75.2 | -177.9 | 155.9 | 142.3 | -3.2 | 112.6 | E34 | E34-R37 WeakPolarHBondContact O-CB 3.35Å; E34-R37 PolarHBondContact O-N 3.39Å |
| 38 | I | 78.6 | Confident | 72.7 | Confident | 119 Ų | 119 | 129.3 Ų | 129.3 | 61% | 0.61 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -72 | 133.3 | 174 | -59.6 | 169.6 | 0 | 0 | 0 | 107.6 | E34 P40 | E34-I38 PolarHBondContact O-N 2.97Å; I38-P40 WeakPolarHBondContact O-CD 3.4Å |
| 39 | Q | 72.1 | Confident | 71.5 | Confident | 175 Ų | 175 | 126.6 Ų | 126.6 | 82% | 0.818 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 121 | 172.9 | -162.9 | 172.5 | 25.5 | 0 | 0 | 107.1 | Q41 | Q39-Q41 PolarHBondContact O-N 3.14Š|
| 40 | P | 67.3 | Low | 70.6 | Confident | 111 Ų | 111 | 123.6 Ų | 123.6 | 72% | 0.721 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 131.4 | -179.9 | 21.8 | -30.4 | 0 | 0 | 0 | 108 | I38 | I38-P40 WeakPolarHBondContact O-CD 3.4Š|
| 41 | Q | 68.6 | Low | 70.1 | Confident | 178 Ų | 178 | 125.8 Ų | 125.8 | 83% | 0.832 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 137.3 | 164.7 | -84.9 | -179.8 | -33.6 | 0 | 0 | 106.9 | Q39 | Q39-Q41 PolarHBondContact O-N 3.14Š|
| 42 | P | 64.1 | Low | 69.9 | Low | 102 Ų | 102 | 126.8 Ų | 126.8 | 66% | 0.662 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 134.8 | 169.9 | 24.2 | -31.7 | 0 | 0 | 0 | 106.8 | D44 | P42-D44 PolarHBondContact O-N 2.92Š|
| 43 | P | 64.1 | Low | 69.5 | Low | 112 Ų | 112 | 132.1 Ų | 132.1 | 73% | 0.727 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 137.6 | 171.9 | 24 | -32.1 | 0 | 0 | 0 | 107.4 | E45 | P43-E45 PolarHBondContact O-N 3.4Š|
| 44 | D | 59.2 | Low | 69.6 | Low | 148 Ų | 148 | 133.9 Ų | 133.9 | 79% | 0.791 | 69% | 0.685 | S | S | * | * | trans | -53.6 | 107.7 | 174.1 | -64.5 | -45.4 | 0 | 0 | 0 | 107.2 | P42 D46 G47 | P42-D44 PolarHBondContact O-N 2.92Å; D44-D46 PolarHBondContact O-N 3.18Å; D44-D46 VanDerWaalsContact O-N 3.09Å; D44-G47 PolarHBondContact O-N 2.92Å | ||
| 45 | E | 56.6 | Low | 69.9 | Low | 176 Ų | 176 | 133.1 Ų | 133.1 | 82% | 0.822 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -8.5 | -178.5 | -69.6 | -166.2 | 158 | 0 | 0 | 111.8 | P43 | P43-E45 PolarHBondContact O-N 3.4Š|
| 46 | D | 54.8 | Low | 70.1 | Confident | 156 Ų | 156 | 133.4 Ų | 133.4 | 83% | 0.834 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | 21.1 | -177.5 | -63.3 | -37.8 | 0 | 0 | 0 | 113.4 | D44 D48 | D44-D46 PolarHBondContact O-N 3.18Å; D44-D46 VanDerWaalsContact O-N 3.09Å; D46-D48 VanDerWaalsContact C-N 3.34Å; D46-D48 PolarHBondContact O-N 2.82Å |
| 47 | G | 54.1 | Low | 70.5 | Confident | 34 Ų | 34 | 130.2 Ų | 130.2 | 35% | 0.351 | 67% | 0.674 | S | S | . | * | trans | -62 | 101.8 | 158.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | D44 H49 | D44-G47 PolarHBondContact O-N 2.92Å; G47-H49 PolarHBondContact O-CD2 3.36Å; G47-H49 PolarHBondContact O-N 2.89Å | ||
| 48 | D | 59.6 | Low | 70.8 | Confident | 130 Ų | 130 | 128.1 Ų | 128.1 | 70% | 0.695 | 67% | 0.674 | S | S | * | * | trans | -62.4 | 79.1 | 168.8 | -171.9 | 18.9 | 0 | 0 | 0 | 108.2 | D46 S50 | D46-D48 VanDerWaalsContact C-N 3.34Å; D46-D48 PolarHBondContact O-N 2.82Å; D48-S50 PolarHBondContact O-N 3.41Å; D48-S50 VanDerWaalsContact OD1-CB 3.3Å; D48-S50 WeakPolarHBondContact OD1-CB 3.28Å; D48-S50 PolarHBondContact OD1-N 3.29Å; D48-S50 PolarHBondContact OD1-OG 3.47Å; D48-S50 PolarHBondContact OD2-OG 3.45Å | ||
| 49 | H | 61.9 | Low | 71.2 | Confident | 171 Ų | 171 | 124.6 Ų | 124.6 | 79% | 0.792 | 66% | 0.658 | S | S | * | * | trans | -73.7 | 31.3 | 173.8 | -60.4 | -63 | 0 | 0 | 0 | 110 | G47 D51 | G47-H49 PolarHBondContact O-CD2 3.36Å; G47-H49 PolarHBondContact O-N 2.89Å; H49-D51 PolarHBondContact O-N 3.05Å | ||
| 50 | S | 66.6 | Low | 72.1 | Confident | 58 Ų | 58 | 120.8 Ų | 120.8 | 41% | 0.406 | 65% | 0.646 | S | S | . | * | P | Polyproline II helix | trans | -65.6 | 119.9 | 165.8 | 67.9 | 0 | 0 | 0 | 0 | 107.9 | D48 K52 | D48-S50 PolarHBondContact O-N 3.41Å; D48-S50 VanDerWaalsContact OD1-CB 3.3Å; D48-S50 WeakPolarHBondContact OD1-CB 3.28Å; D48-S50 PolarHBondContact OD1-N 3.29Å; D48-S50 PolarHBondContact OD1-OG 3.47Å; D48-S50 PolarHBondContact OD2-OG 3.45Å; S50-K52 PolarHBondContact O-N 3.17Å |
| 51 | D | 75.9 | Confident | 73.3 | Confident | 88 Ų | 88 | 119.5 Ų | 119.5 | 47% | 0.471 | 64% | 0.636 | S | S | . | * | P | Polyproline II helix | trans | -47.7 | 128.2 | 169.2 | -53.1 | -39.1 | 0 | 0 | 0 | 108.9 | H49 E55 K76 | H49-D51 PolarHBondContact O-N 3.05Å; D51-E55 HydrophobicContact CB-CB 4.29Å; D51-K76 IonicContact OD2-NZ 3.09Å |
| 52 | K | 81.1 | Confident | 74.4 | Confident | 139 Ų | 139 | 117.6 Ų | 117.6 | 60% | 0.604 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 159.5 | 176 | -62.6 | -179.5 | -179.1 | 171.7 | 0 | 110 | S50 D54 E55 Q56 | S50-K52 PolarHBondContact O-N 3.17Å; K52-D54 PolarHBondContact O-N 3.19Å; K52-E55 HydrophobicContact CB-CG 4.16Å; K52-E55 PolarHBondContact N-OE2 2.93Å; K52-E55 VanDerWaalsContact N-OE2 3.15Å; K52-E55 WeakPolarHBondContact O-CB 3.38Å; K52-E55 PolarHBondContact O-N 3.34Å; K52-Q56 PolarHBondContact O-N 3.13Å |
| 53 | E | 76.6 | Confident | 75.8 | Confident | 167 Ų | 167 | 120.1 Ų | 120.1 | 78% | 0.78 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -54.2 | -38.6 | 177 | -65.5 | -172 | 163.9 | 0 | 0 | 112.1 | E55 Q56 | E53-E55 VanDerWaalsContact C-N 3.27Å; E53-E55 PolarHBondContact O-N 3.24Å; E53-Q56 PolarHBondContact O-N 3.3Å |
| 54 | D | 82 | Confident | 76.7 | Confident | 159 Ų | 159 | 125.6 Ų | 125.6 | 85% | 0.85 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -69.1 | -20 | 176.9 | -61.2 | -36.6 | 0 | 0 | 0 | 114.2 | K52 | K52-D54 PolarHBondContact O-N 3.19Š|
| 55 | E | 84.4 | Confident | 78 | Confident | 118 Ų | 118 | 122 Ų | 122 | 55% | 0.551 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -92.5 | -7.7 | -179.5 | -65.4 | 168.8 | -175.6 | 0 | 0 | 111.8 | D51 K52 E53 | D51-E55 HydrophobicContact CB-CB 4.29Å; K52-E55 HydrophobicContact CB-CG 4.16Å; K52-E55 PolarHBondContact N-OE2 2.93Å; K52-E55 VanDerWaalsContact N-OE2 3.15Å; K52-E55 WeakPolarHBondContact O-CB 3.38Å; K52-E55 PolarHBondContact O-N 3.34Å; E53-E55 VanDerWaalsContact C-N 3.27Å; E53-E55 PolarHBondContact O-N 3.24Å |
| 56 | Q | 84.4 | Confident | 79.7 | Confident | 78 Ų | 78 | 116.9 Ų | 116.9 | 36% | 0.364 | 62% | 0.62 | S | S | . | * | S | Bend | trans | -71.8 | 144 | 178.6 | -63.5 | -174 | 16.3 | 0 | 0 | 111.3 | K52 E53 | K52-Q56 PolarHBondContact O-N 3.13Å; E53-Q56 PolarHBondContact O-N 3.3Å |
| 57 | P | 85.9 | Confident | 81.2 | Confident | 107 Ų | 107 | 113.6 Ų | 113.6 | 70% | 0.695 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 139.3 | 179 | 27.7 | -34.8 | 0 | 0 | 0 | 111.3 | V59 | P57-V59 PolarHBondContact O-N 3.35Š|
| 58 | Q | 89.1 | Confident | 82.8 | Confident | 165 Ų | 165 | 114.1 Ų | 114.1 | 77% | 0.771 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 120.9 | 172 | -178.6 | 65.2 | 50.1 | 0 | 0 | 110.3 | V60 | Q58-V60 HydrophobicContact CG-CG2 3.97Š|
| 59 | V | 87.9 | Confident | 84 | Confident | 45 Ų | 45 | 111.7 Ų | 111.7 | 27% | 0.273 | 59% | 0.59 | S | S | . | * | P | Polyproline II helix | trans | -89 | 128.1 | 172.5 | -175.2 | 0 | 0 | 0 | 0 | 108.8 | P57 L67 V69 | P57-V59 PolarHBondContact O-N 3.35Å; V59-L67 WeakPolarHBondContact CG1-O 3.42Å; V59-V69 HydrophobicContact CB-CG2 4.03Å |
| 60 | V | 90.6 | Very high | 85.1 | Confident | 95 Ų | 95 | 109.8 Ų | 109.8 | 58% | 0.576 | 58% | 0.581 | S | S | * | * | trans | -125.3 | 127.3 | 177.4 | -170 | 0 | 0 | 0 | 0 | 108.8 | Q58 L62 | Q58-V60 HydrophobicContact CG-CG2 3.97Å; V60-L62 HydrophobicContact CB-CD1 3.95Å; V60-L62 HydrophobicContact CG1-CD1 3.59Å | ||
| 61 | V | 92.3 | Very high | 86.2 | Confident | 83 Ų | 83 | 111.2 Ų | 111.2 | 50% | 0.503 | 58% | 0.582 | S | S | . | * | trans | -97.9 | 115.4 | 177.9 | 175.9 | 0 | 0 | 0 | 0 | 108.4 | D66 | V61-D66 HydrophobicContact CB-CB 4.47Å; V61-D66 HydrophobicContact CG1-CB 4.15Å; V61-D66 HydrophobicContact CG2-CB 4.47Å | ||
| 62 | L | 91.6 | Very high | 86.7 | Confident | 138 Ų | 138 | 109.5 Ų | 109.5 | 72% | 0.723 | 57% | 0.574 | S | S | * | * | trans | -106.7 | -31.5 | -179.7 | -74.1 | 79.8 | 0 | 0 | 0 | 111.2 | V60 D66 | V60-L62 HydrophobicContact CB-CD1 3.95Å; V60-L62 HydrophobicContact CG1-CD1 3.59Å; L62-D66 PolarHBondContact N-OD2 3.3Å | ||
| 63 | K | 92.3 | Very high | 86.9 | Confident | 156 Ų | 156 | 107.8 Ų | 107.8 | 68% | 0.678 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -127.2 | 155.7 | -174.3 | -62.6 | 177.8 | -174.5 | 173.3 | 0 | 111.6 | G65 D66 | K63-G65 VanDerWaalsContact C-N 3.33Å; K63-G65 PolarHBondContact O-N 3.34Å; K63-D66 PolarHBondContact N-OD2 2.91Å; K63-D66 PolarHBondContact O-N 3.15Å |
| 64 | K | 84.1 | Confident | 87.5 | Confident | 226 Ų | 226 | 105.5 Ų | 105.5 | 98% | 0.983 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 89 | 172.7 | -57.9 | -176.5 | -176.7 | -176.3 | 0 | 108.6 | ||
| 65 | G | 87.4 | Confident | 87.8 | Confident | 74 Ų | 74 | 101.6 Ų | 101.6 | 76% | 0.763 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 148.1 | -14.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | K63 | K63-G65 VanDerWaalsContact C-N 3.33Å; K63-G65 PolarHBondContact O-N 3.34Å |
| 66 | D | 90.6 | Very high | 87.8 | Confident | 68 Ų | 68 | 101.3 Ų | 101.3 | 36% | 0.364 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -72.6 | 146.7 | 171.2 | -54.1 | -27.4 | 0 | 0 | 0 | 109.8 | V61 L62 K63 | V61-D66 HydrophobicContact CB-CB 4.47Å; V61-D66 HydrophobicContact CG1-CB 4.15Å; V61-D66 HydrophobicContact CG2-CB 4.47Å; L62-D66 PolarHBondContact N-OD2 3.3Å; K63-D66 PolarHBondContact N-OD2 2.91Å; K63-D66 PolarHBondContact O-N 3.15Å |
| 67 | L | 87.3 | Confident | 87.8 | Confident | 87 Ų | 87 | 100.5 Ų | 100.5 | 46% | 0.455 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -72.9 | 136.7 | -179 | -66.6 | 167.4 | 0 | 0 | 0 | 110.9 | V59 E71 V72 I75 | V59-L67 WeakPolarHBondContact CG1-O 3.42Å; L67-E71 HydrophobicContact CD2-CB 4.13Å; L67-V72 HydrophobicContact CB-CG2 3.74Å; L67-V72 HydrophobicContact CD1-CG2 4.28Å; L67-I75 HydrophobicContact CD1-CD1 4.23Å; L67-I75 HydrophobicContact CD2-CD1 4.36Å |
| 68 | S | 87.9 | Confident | 87.8 | Confident | 44 Ų | 44 | 102 Ų | 102 | 31% | 0.308 | 54% | 0.537 | S | S | . | . | P | Polyproline II helix | trans | -77.3 | 159.8 | 170.5 | 64.1 | 0 | 0 | 0 | 0 | 111.3 | E70 E71 V72 | S68-E70 PolarHBondContact O-N 2.93Å; S68-E71 PolarHBondContact N-OE2 3.03Å; S68-E71 PolarHBondContact O-N 3.44Å; S68-E71 VanDerWaalsContact O-N 3.08Å; S68-E71 WeakPolarHBondContact OG-CG 3.49Å; S68-E71 PolarHBondContact OG-OE2 2.66Å; S68-V72 PolarHBondContact O-N 3.23Å; S68-V72 VanDerWaalsContact O-N 3.14Å |
| 69 | V | 84.9 | Confident | 87.5 | Confident | 79 Ų | 79 | 98.4 Ų | 98.4 | 48% | 0.479 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -51.4 | -44.4 | -178.9 | -180 | 0 | 0 | 0 | 0 | 111.4 | V59 E71 V72 M73 | V59-V69 HydrophobicContact CB-CG2 4.03Å; V69-E71 PolarHBondContact O-N 3.09Å; V69-V72 PolarHBondContact O-N 3.25Å; V69-M73 HydrophobicContact CG1-SD 4.21Å; V69-M73 WeakPolarHBondContact O-CG 3.3Å; V69-M73 PolarHBondContact O-N 2.84Å; V69-M73 VanDerWaalsContact O-N 3.09Å |
| 70 | E | 85.2 | Confident | 87 | Confident | 131 Ų | 131 | 103.2 Ų | 103.2 | 61% | 0.612 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.2 | -37.5 | -178.3 | -62 | -175.8 | -167.8 | 0 | 0 | 113.2 | S68 M73 K74 | S68-E70 PolarHBondContact O-N 2.93Å; E70-M73 PolarHBondContact O-N 2.94Å; E70-K74 WeakPolarHBondContact O-CD 3.39Å; E70-K74 VanDerWaalsContact O-CG 3.25Å; E70-K74 WeakPolarHBondContact O-CG 3.23Å; E70-K74 PolarHBondContact O-N 3.27Å; E70-K74 IonicContact OE2-NZ 3.13Å |
| 71 | E | 88.4 | Confident | 86.4 | Confident | 88 Ų | 88 | 101.5 Ų | 101.5 | 41% | 0.411 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -70.1 | -40.8 | 180 | -68.3 | 165.5 | 149 | 0 | 0 | 110.7 | L67 S68 V69 M73 K74 I75 | L67-E71 HydrophobicContact CD2-CB 4.13Å; S68-E71 PolarHBondContact N-OE2 3.03Å; S68-E71 PolarHBondContact O-N 3.44Å; S68-E71 VanDerWaalsContact O-N 3.08Å; S68-E71 WeakPolarHBondContact OG-CG 3.49Å; S68-E71 PolarHBondContact OG-OE2 2.66Å; V69-E71 PolarHBondContact O-N 3.09Å; E71-M73 VanDerWaalsContact C-N 3.34Å; E71-M73 PolarHBondContact O-N 2.99Å; E71-K74 PolarHBondContact O-N 3.31Å; E71-I75 WeakPolarHBondContact O-CB 3.49Å; E71-I75 WeakPolarHBondContact O-CD1 3.47Å; E71-I75 VanDerWaalsContact O-CG1 3.26Å; E71-I75 WeakPolarHBondContact O-CG1 3.49Å; E71-I75 PolarHBondContact O-N 3.22Å |
| 72 | V | 87.4 | Confident | 85.5 | Confident | 52 Ų | 52 | 100.7 Ų | 100.7 | 32% | 0.315 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 175.1 | 176.8 | 0 | 0 | 0 | 0 | 110.7 | L67 S68 V69 I75 K76 | L67-V72 HydrophobicContact CB-CG2 3.74Å; L67-V72 HydrophobicContact CD1-CG2 4.28Å; S68-V72 PolarHBondContact O-N 3.23Å; S68-V72 VanDerWaalsContact O-N 3.14Å; V69-V72 PolarHBondContact O-N 3.25Å; V72-I75 PolarHBondContact O-N 3.43Å; V72-K76 WeakPolarHBondContact O-CB 3.48Å; V72-K76 PolarHBondContact O-N 2.84Å |
| 73 | M | 85.6 | Confident | 84.2 | Confident | 103 Ų | 103 | 101.3 Ų | 101.3 | 51% | 0.507 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.6 | -43.9 | 177.7 | -68.7 | 179 | 82.8 | 0 | 0 | 112 | V69 E70 E71 K76 A77 | V69-M73 HydrophobicContact CG1-SD 4.21Å; V69-M73 WeakPolarHBondContact O-CG 3.3Å; V69-M73 PolarHBondContact O-N 2.84Å; V69-M73 VanDerWaalsContact O-N 3.09Å; E70-M73 PolarHBondContact O-N 2.94Å; E71-M73 VanDerWaalsContact C-N 3.34Å; E71-M73 PolarHBondContact O-N 2.99Å; M73-K76 PolarHBondContact O-N 2.99Å; M73-A77 WeakPolarHBondContact O-CB 3.45Å; M73-A77 PolarHBondContact O-N 3.31Å |
| 74 | K | 88.6 | Confident | 82.7 | Confident | 120 Ų | 120 | 97.7 Ų | 97.7 | 52% | 0.522 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62 | -45.2 | 177.6 | -72.6 | 166.1 | -170.8 | 164.6 | 0 | 111.7 | E70 E71 A77 Q78 | E70-K74 WeakPolarHBondContact O-CD 3.39Å; E70-K74 VanDerWaalsContact O-CG 3.25Å; E70-K74 WeakPolarHBondContact O-CG 3.23Å; E70-K74 PolarHBondContact O-N 3.27Å; E70-K74 IonicContact OE2-NZ 3.13Å; E71-K74 PolarHBondContact O-N 3.31Å; K74-A77 PolarHBondContact O-N 3.22Å; K74-Q78 WeakPolarHBondContact O-CG 3.48Å; K74-Q78 PolarHBondContact O-N 3.25Å |
| 75 | I | 87.1 | Confident | 81.4 | Confident | 76 Ų | 76 | 94.2 Ų | 94.2 | 39% | 0.39 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.8 | -44.7 | 177.7 | -66.9 | 162.4 | 0 | 0 | 0 | 110.5 | L67 E71 V72 A77 Q78 I79 | L67-I75 HydrophobicContact CD1-CD1 4.23Å; L67-I75 HydrophobicContact CD2-CD1 4.36Å; E71-I75 WeakPolarHBondContact O-CB 3.49Å; E71-I75 WeakPolarHBondContact O-CD1 3.47Å; E71-I75 VanDerWaalsContact O-CG1 3.26Å; E71-I75 WeakPolarHBondContact O-CG1 3.49Å; E71-I75 PolarHBondContact O-N 3.22Å; V72-I75 PolarHBondContact O-N 3.43Å; I75-A77 VanDerWaalsContact C-N 3.34Å; I75-A77 PolarHBondContact O-N 2.92Å; I75-Q78 PolarHBondContact O-N 3.41Å; I75-I79 HydrophobicContact CG2-CD1 3.68Å; I75-I79 HydrophobicContact CG2-CG1 4.4Å; I75-I79 VanDerWaalsContact O-CG1 3.28Å; I75-I79 WeakPolarHBondContact O-CG1 3.44Å; I75-I79 PolarHBondContact O-N 2.98Å |
| 76 | K | 85.4 | Confident | 79.9 | Confident | 112 Ų | 112 | 96.7 Ų | 96.7 | 49% | 0.487 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61 | -42.4 | 177.6 | -170.1 | 178.7 | -179.1 | -178 | 0 | 111.3 | D51 V72 M73 I79 K80 | D51-K76 IonicContact OD2-NZ 3.09Å; V72-K76 WeakPolarHBondContact O-CB 3.48Å; V72-K76 PolarHBondContact O-N 2.84Å; M73-K76 PolarHBondContact O-N 2.99Å; K76-I79 PolarHBondContact O-N 3.2Å; K76-K80 WeakPolarHBondContact O-CB 3.37Å; K76-K80 PolarHBondContact O-N 3.14Å |
| 77 | A | 84.9 | Confident | 78.3 | Confident | 61 Ų | 61 | 101.7 Ų | 101.7 | 50% | 0.504 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.8 | -44.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | M73 K74 I75 K80 A81 | M73-A77 WeakPolarHBondContact O-CB 3.45Å; M73-A77 PolarHBondContact O-N 3.31Å; K74-A77 PolarHBondContact O-N 3.22Å; I75-A77 VanDerWaalsContact C-N 3.34Å; I75-A77 PolarHBondContact O-N 2.92Å; A77-K80 PolarHBondContact O-N 3.45Å; A77-A81 WeakPolarHBondContact O-CB 3.4Å; A77-A81 PolarHBondContact O-N 3.32Å |
| 78 | Q | 84.4 | Confident | 77 | Confident | 140 Ų | 140 | 102.7 Ų | 102.7 | 65% | 0.654 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63 | -41.9 | 176.5 | -74.8 | 177.7 | 8 | 0 | 0 | 112.4 | K74 I75 A81 A82 | K74-Q78 WeakPolarHBondContact O-CG 3.48Å; K74-Q78 PolarHBondContact O-N 3.25Å; I75-Q78 PolarHBondContact O-N 3.41Å; Q78-A81 PolarHBondContact O-N 3.45Å; Q78-A82 WeakPolarHBondContact O-CB 3.32Å; Q78-A82 PolarHBondContact O-N 3.37Å |
| 79 | I | 82.6 | Confident | 75.7 | Confident | 89 Ų | 89 | 104.8 Ų | 104.8 | 46% | 0.456 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.6 | -41.5 | 176.2 | -65.5 | 166 | 0 | 0 | 0 | 110.8 | I75 K76 A82 K83 | I75-I79 HydrophobicContact CG2-CD1 3.68Å; I75-I79 HydrophobicContact CG2-CG1 4.4Å; I75-I79 VanDerWaalsContact O-CG1 3.28Å; I75-I79 WeakPolarHBondContact O-CG1 3.44Å; I75-I79 PolarHBondContact O-N 2.98Å; K76-I79 PolarHBondContact O-N 3.2Å; I79-A82 PolarHBondContact O-N 3.43Å; I79-K83 HydrophobicContact CG2-CD 4.33Å; I79-K83 HydrophobicContact CG2-CG 4.5Å; I79-K83 WeakPolarHBondContact O-CB 3.35Å; I79-K83 WeakPolarHBondContact O-CG 3.48Å; I79-K83 PolarHBondContact O-N 2.77Å |
| 80 | K | 78.9 | Confident | 74.5 | Confident | 146 Ų | 146 | 103.8 Ų | 103.8 | 64% | 0.635 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.3 | -43.9 | 177.3 | -171.2 | 177.2 | -179.2 | 179.5 | 0 | 111.1 | K76 A77 K83 A84 | K76-K80 WeakPolarHBondContact O-CB 3.37Å; K76-K80 PolarHBondContact O-N 3.14Å; A77-K80 PolarHBondContact O-N 3.45Å; K80-K83 PolarHBondContact O-N 3.48Å; K80-A84 PolarHBondContact O-N 2.87Å; K80-A84 VanDerWaalsContact O-N 3.09Å |
| 81 | A | 76.8 | Confident | 73.4 | Confident | 59 Ų | 59 | 102.8 Ų | 102.8 | 49% | 0.488 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.2 | -45.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | A77 Q78 K83 A84 D85 | A77-A81 WeakPolarHBondContact O-CB 3.4Å; A77-A81 PolarHBondContact O-N 3.32Å; Q78-A81 PolarHBondContact O-N 3.45Å; A81-K83 VanDerWaalsContact C-N 3.3Å; A81-K83 PolarHBondContact O-N 3.31Å; A81-A84 PolarHBondContact O-N 3.03Å; A81-A84 VanDerWaalsContact O-N 3.16Å; A81-D85 PolarHBondContact O-N 3.05Å |
| 82 | A | 73.1 | Confident | 72.5 | Confident | 65 Ų | 65 | 103.6 Ų | 103.6 | 54% | 0.537 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.4 | -32.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q78 I79 | Q78-A82 WeakPolarHBondContact O-CB 3.32Å; Q78-A82 PolarHBondContact O-N 3.37Å; I79-A82 PolarHBondContact O-N 3.43Å |
| 83 | K | 65.5 | Low | 71.8 | Confident | 152 Ų | 152 | 104.5 Ų | 104.5 | 66% | 0.661 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -76.5 | -22.5 | 175.3 | -76.8 | -170.4 | 176.3 | -172.4 | 0 | 113.8 | I79 K80 A81 | I79-K83 HydrophobicContact CG2-CD 4.33Å; I79-K83 HydrophobicContact CG2-CG 4.5Å; I79-K83 WeakPolarHBondContact O-CB 3.35Å; I79-K83 WeakPolarHBondContact O-CG 3.48Å; I79-K83 PolarHBondContact O-N 2.77Å; K80-K83 PolarHBondContact O-N 3.48Å; A81-K83 VanDerWaalsContact C-N 3.3Å; A81-K83 PolarHBondContact O-N 3.31Å |
| 84 | A | 60.4 | Low | 71.6 | Confident | 80 Ų | 80 | 108 Ų | 108 | 66% | 0.661 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -74.6 | -28 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K80 A81 | K80-A84 PolarHBondContact O-N 2.87Å; K80-A84 VanDerWaalsContact O-N 3.09Å; A81-A84 PolarHBondContact O-N 3.03Å; A81-A84 VanDerWaalsContact O-N 3.16Å |
| 85 | D | 56.1 | Low | 71.2 | Confident | 152 Ų | 152 | 109 Ų | 109 | 81% | 0.813 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -83.1 | -17 | 175.8 | -86.8 | -23 | 0 | 0 | 0 | 113.8 | A81 E87 | A81-D85 PolarHBondContact O-N 3.05Å; D85-E87 PolarHBondContact O-N 2.87Å |
| 86 | E | 57.1 | Low | 70.9 | Confident | 126 Ų | 126 | 111.4 Ų | 111.4 | 59% | 0.589 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -79.1 | 103.1 | 172.9 | -156 | 176.7 | -169 | 0 | 0 | 108.5 | R98 | E86-R98 IonicContact OE1-NH1 3.73Å; E86-R98 PolarHBondContact OE1-NH1 3.39Å; E86-R98 VanDerWaalsContact OE1-NH1 3.09Å |
| 87 | E | 57.2 | Low | 70.7 | Confident | 174 Ų | 174 | 116 Ų | 116 | 81% | 0.813 | 65% | 0.651 | S | S | * | * | trans | -10.6 | 119.6 | -178.4 | -162.6 | 178.4 | -163.2 | 0 | 0 | 115.1 | D85 A89 | D85-E87 PolarHBondContact O-N 2.87Å; E87-A89 PolarHBondContact O-N 3.39Å | ||
| 88 | P | 59.5 | Low | 70.6 | Confident | 107 Ų | 107 | 122.7 Ų | 122.7 | 70% | 0.695 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 141.9 | -175.7 | 24.8 | -34.1 | 0 | 0 | 0 | 110.3 | ||
| 89 | A | 60.9 | Low | 70.7 | Confident | 89 Ų | 89 | 124.6 Ų | 124.6 | 74% | 0.736 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 133 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | E87 A91 | E87-A89 PolarHBondContact O-N 3.39Å; A89-A91 PolarHBondContact O-N 3.08Å |
| 90 | P | 60.2 | Low | 70.7 | Confident | 57 Ų | 57 | 125.6 Ų | 125.6 | 37% | 0.37 | 68% | 0.681 | S | S | . | * | P | Polyproline II helix | trans | -56.6 | 120.3 | -174.1 | 22.7 | -34.7 | 0 | 0 | 0 | 109.6 | D92 G93 R94 I96 | P90-D92 PolarHBondContact O-N 3.22Å; P90-G93 PolarHBondContact O-N 3.05Å; P90-R94 VanDerWaalsContact CG-O 3.23Å; P90-R94 WeakPolarHBondContact CG-O 3.38Å; P90-I96 HydrophobicContact CB-CD1 4.24Å; P90-I96 HydrophobicContact CG-CD1 3.74Å; P90-I96 HydrophobicContact CG-CG1 4.05Å |
| 91 | A | 61.1 | Low | 71 | Confident | 110 Ų | 110 | 125.1 Ų | 125.1 | 91% | 0.909 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | -11.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | A89 G93 | A89-A91 PolarHBondContact O-N 3.08Å; A91-G93 PolarHBondContact O-N 3.17Å |
| 92 | D | 69.3 | Low | 71.2 | Confident | 106 Ų | 106 | 131.2 Ų | 131.2 | 57% | 0.567 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | 3.6 | -179.9 | -146.7 | 22.7 | 0 | 0 | 0 | 113.3 | P90 R94 | P90-D92 PolarHBondContact O-N 3.22Å; D92-R94 PolarHBondContact O-N 3.06Å; D92-R94 IonicContact OD2-CZ 3.57Å; D92-R94 IonicContact OD2-NE 3.84Å; D92-R94 PolarHBondContact OD2-NE 2.89Å; D92-R94 IonicContact OD2-NH1 2.77Å; D92-R94 PolarHBondContact OD2-NH1 3.35Å; D92-R94 VanDerWaalsContact OD2-NH1 3.13Å; D92-R94 IonicContact OD2-NH2 3.33Å |
| 93 | G | 73.9 | Confident | 71.3 | Confident | 70 Ų | 70 | 137.1 Ų | 137.1 | 72% | 0.722 | 71% | 0.714 | S | S | * | * | trans | 66.1 | 5.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | P90 A91 | P90-G93 PolarHBondContact O-N 3.05Å; A91-G93 PolarHBondContact O-N 3.17Å | ||
| 94 | R | 80.8 | Confident | 71.8 | Confident | 176 Ų | 176 | 134.6 Ų | 134.6 | 66% | 0.664 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 117.4 | 179.9 | -70.3 | 174.7 | -173.3 | 163.7 | 7.5 | 110.1 | P90 D92 I96 | P90-R94 VanDerWaalsContact CG-O 3.23Å; P90-R94 WeakPolarHBondContact CG-O 3.38Å; D92-R94 PolarHBondContact O-N 3.06Å; D92-R94 IonicContact OD2-CZ 3.57Å; D92-R94 IonicContact OD2-NE 3.84Å; D92-R94 PolarHBondContact OD2-NE 2.89Å; D92-R94 IonicContact OD2-NH1 2.77Å; D92-R94 PolarHBondContact OD2-NH1 3.35Å; D92-R94 VanDerWaalsContact OD2-NH1 3.13Å; D92-R94 IonicContact OD2-NH2 3.33Å; R94-I96 PolarHBondContact O-N 3.11Å |
| 95 | I | 80.3 | Confident | 71.9 | Confident | 141 Ų | 141 | 136.6 Ų | 136.6 | 72% | 0.723 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 116.7 | 176.7 | -57.4 | 173.4 | 0 | 0 | 0 | 109.4 | Y97 | I95-Y97 HydrophobicContact CG2-CE2 4.35Š|
| 96 | I | 80.2 | Confident | 72.2 | Confident | 127 Ų | 127 | 136.3 Ų | 136.3 | 65% | 0.651 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 119.5 | 173.5 | -58.2 | 173.8 | 0 | 0 | 0 | 109 | P90 R94 R98 | P90-I96 HydrophobicContact CB-CD1 4.24Å; P90-I96 HydrophobicContact CG-CD1 3.74Å; P90-I96 HydrophobicContact CG-CG1 4.05Å; R94-I96 PolarHBondContact O-N 3.11Å; I96-R98 PolarHBondContact O-N 3.43Å |
| 97 | Y | 80.8 | Confident | 72.5 | Confident | 210 Ų | 210 | 137.2 Ų | 137.2 | 82% | 0.824 | 73% | 0.725 | S | S | * | * | trans | -80.2 | 104.8 | 174.2 | -73 | -87 | 0 | 0 | 0 | 110.6 | I95 | I95-Y97 HydrophobicContact CG2-CE2 4.35Š| ||
| 98 | R | 82.9 | Confident | 72.7 | Confident | 200 Ų | 200 | 138.2 Ų | 138.2 | 76% | 0.755 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 131.1 | 169.8 | -160.5 | 176.2 | -175.1 | -177.1 | 2.6 | 109.7 | E86 I96 | E86-R98 IonicContact OE1-NH1 3.73Å; E86-R98 PolarHBondContact OE1-NH1 3.39Å; E86-R98 VanDerWaalsContact OE1-NH1 3.09Å; I96-R98 PolarHBondContact O-N 3.43Å |
| 99 | K | 86.8 | Confident | 72.7 | Confident | 180 Ų | 180 | 141.1 Ų | 141.1 | 78% | 0.783 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 128.3 | 177.5 | -170.2 | 176.7 | -176.7 | 172.4 | 0 | 109.4 | V101 | K99-V101 PolarHBondContact O-N 3.11Š|
| 100 | P | 83.6 | Confident | 72.8 | Confident | 110 Ų | 110 | 143 Ų | 143 | 71% | 0.714 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 138.7 | 178 | 23.7 | -31.8 | 0 | 0 | 0 | 110.6 | K102 | P100-K102 PolarHBondContact O-N 2.84Š|
| 101 | V | 83.8 | Confident | 72.8 | Confident | 136 Ų | 136 | 143.2 Ų | 143.2 | 82% | 0.824 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -65 | 128.4 | 171.3 | -178.8 | 0 | 0 | 0 | 0 | 108 | K99 R103 | K99-V101 PolarHBondContact O-N 3.11Å; V101-R103 PolarHBondContact O-N 3.09Å |
| 102 | K | 82.6 | Confident | 72.6 | Confident | 187 Ų | 187 | 145.7 Ų | 145.7 | 81% | 0.813 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 119.9 | 175.1 | -67.9 | -179 | 178.2 | 179.7 | 0 | 107.9 | P100 | P100-K102 PolarHBondContact O-N 2.84Š|
| 103 | R | 75.1 | Confident | 72 | Confident | 189 Ų | 189 | 147.7 Ų | 147.7 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 140.3 | 173.9 | -58.6 | -172.6 | -165.4 | 122.5 | 1.7 | 109.2 | V101 | V101-R103 PolarHBondContact O-N 3.09Š|
| 104 | P | 75.4 | Confident | 71.3 | Confident | 100 Ų | 100 | 148.7 Ų | 148.7 | 65% | 0.649 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 139.4 | 169.6 | 27.5 | -33.2 | 0 | 0 | 0 | 109.1 | D106 | P104-D106 PolarHBondContact O-N 2.84Å; P104-D106 VanDerWaalsContact O-N 3.15Å |
| 105 | S | 62.8 | Low | 70.5 | Confident | 121 Ų | 121 | 145.2 Ų | 145.2 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -2.1 | -171.3 | 48.2 | 0 | 0 | 0 | 0 | 115.2 | ||
| 106 | D | 61.3 | Low | 69.5 | Low | 147 Ų | 147 | 143.7 Ų | 143.7 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | -6.1 | -173.6 | -81.4 | -33.1 | 0 | 0 | 0 | 115.3 | P104 K108 | P104-D106 PolarHBondContact O-N 2.84Å; P104-D106 VanDerWaalsContact O-N 3.15Å; D106-K108 PolarHBondContact O-N 3.38Å; D106-K108 VanDerWaalsContact O-N 3.14Å |
| 107 | E | 63.2 | Low | 68.5 | Low | 144 Ų | 144 | 147 Ų | 147 | 67% | 0.673 | 77% | 0.774 | S | S | * | * | trans | -81.6 | 99.6 | 176.3 | -153.9 | 81.8 | -139.2 | 0 | 0 | 109.7 | Y109 | E107-Y109 PolarHBondContact O-N 3.16Š| ||
| 108 | K | 62.9 | Low | 67.6 | Low | 195 Ų | 195 | 146.5 Ų | 146.5 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | trans | -67.8 | 95.8 | 175.7 | -59.2 | -138.5 | -172.6 | -171.8 | 0 | 109.8 | D106 S110 | D106-K108 PolarHBondContact O-N 3.38Å; D106-K108 VanDerWaalsContact O-N 3.14Å; K108-S110 PolarHBondContact O-N 3.39Å | ||
| 109 | Y | 58.8 | Low | 66.4 | Low | 169 Ų | 169 | 146.5 Ų | 146.5 | 66% | 0.663 | 78% | 0.782 | S | S | * | * | trans | -64 | 95.2 | 165.9 | -83.1 | -91.5 | 0 | 0 | 0 | 109.6 | E107 G111 | E107-Y109 PolarHBondContact O-N 3.16Å; Y109-G111 PolarHBondContact O-N 2.91Å | ||
| 110 | S | 62.5 | Low | 64.8 | Low | 128 Ų | 128 | 147.1 Ų | 147.1 | 90% | 0.895 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | 49.8 | 175.4 | 55.2 | 0 | 0 | 0 | 0 | 112.2 | K108 | K108-S110 PolarHBondContact O-N 3.39Š|
| 111 | G | 61 | Low | 62.9 | Low | 62 Ų | 62 | 147.8 Ų | 147.8 | 64% | 0.639 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.2 | -39.1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | Y109 | Y109-G111 PolarHBondContact O-N 2.91Š|
| 112 | L | 57.2 | Low | 60.9 | Low | 162 Ų | 162 | 149 Ų | 149 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | trans | -146 | 103.3 | -173.4 | -75 | 111.8 | 0 | 0 | 0 | 111.7 | A114 | L112-A114 PolarHBondContact O-N 3.31Š| ||
| 113 | T | 56.9 | Low | 59.2 | Low | 148 Ų | 148 | 148.8 Ų | 148.8 | 91% | 0.908 | 79% | 0.793 | S | S | * | * | trans | -91.1 | 67 | 169.3 | 60.4 | 0 | 0 | 0 | 0 | 110.5 | S115 | T113-S115 PolarHBondContact O-N 3.24Š| ||
| 114 | A | 58.7 | Low | 57.5 | Low | 90 Ų | 90 | 147.2 Ų | 147.2 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | trans | -84.7 | 86.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | L112 S116 | L112-A114 PolarHBondContact O-N 3.31Å; A114-S116 PolarHBondContact O-N 3.03Å | ||
| 115 | S | 62.9 | Low | 55.9 | Low | 104 Ų | 104 | 151 Ų | 151 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -83.1 | 89 | 175.5 | -177.6 | 0 | 0 | 0 | 0 | 110.4 | T113 K117 | T113-S115 PolarHBondContact O-N 3.24Å; S115-K117 PolarHBondContact O-N 3.33Å | ||
| 116 | S | 60.5 | Low | 54.8 | Low | 108 Ų | 108 | 152.2 Ų | 152.2 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | -87.9 | 94 | 163.6 | 65.7 | 0 | 0 | 0 | 0 | 109.1 | A114 K118 | A114-S116 PolarHBondContact O-N 3.03Å; S116-K118 VanDerWaalsContact C-N 3.34Å; S116-K118 PolarHBondContact O-N 2.77Å | ||
| 117 | K | 58.8 | Low | 53.7 | Low | 197 Ų | 197 | 152.3 Ų | 152.3 | 86% | 0.857 | 80% | 0.803 | S | S | * | * | trans | -65.1 | 91.7 | 166.8 | -91.3 | 168 | 176.6 | 169.6 | 0 | 109.3 | S115 K119 | S115-K117 PolarHBondContact O-N 3.33Å; K117-K119 PolarHBondContact O-N 3.2Å | ||
| 118 | K | 61.4 | Low | 52.9 | Low | 199 Ų | 199 | 154 Ų | 154 | 87% | 0.865 | 81% | 0.812 | S | S | * | * | trans | -75 | 112 | 161.3 | -105.4 | 179.2 | -176.3 | 177.8 | 0 | 107.9 | S116 K120 | S116-K118 VanDerWaalsContact C-N 3.34Å; S116-K118 PolarHBondContact O-N 2.77Å; K118-K120 PolarHBondContact O-N 2.61Å | ||
| 119 | K | 58.5 | Low | 52.1 | Low | 200 Ų | 200 | 152.9 Ų | 152.9 | 87% | 0.87 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 125.7 | 165.7 | -71 | -149.2 | 176.8 | -171 | 0 | 108.6 | K117 | K117-K119 PolarHBondContact O-N 3.2Š|
| 120 | K | 53.1 | Low | 51.8 | Low | 194 Ų | 194 | 149 Ų | 149 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 131.2 | 164.8 | -64.3 | -174.3 | 177.3 | -175.2 | 0 | 108.1 | K118 | K118-K120 PolarHBondContact O-N 2.61Š|
| 121 | P | 43.9 | Very low | 51 | Low | 123 Ų | 123 | 149.3 Ų | 149.3 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 130.5 | 160.5 | 29.7 | -28 | 0 | 0 | 0 | 108.5 | ||
| 122 | N | 41.5 | Very low | 50.8 | Low | 163 Ų | 163 | 155.5 Ų | 155.5 | 87% | 0.872 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 135.1 | 167.6 | -81.6 | -24.2 | 0 | 0 | 0 | 108.5 | ||
| 123 | E | 47.6 | Very low | 50.7 | Low | 182 Ų | 182 | 156.8 Ų | 156.8 | 85% | 0.85 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 123.4 | 163 | -65 | 174.6 | 169.8 | 0 | 0 | 106.9 | ||
| 124 | D | 39.2 | Very low | 50.8 | Low | 156 Ų | 156 | 154.1 Ų | 154.1 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | trans | -179.5 | 109.1 | 142.1 | -82.2 | -26.5 | 0 | 0 | 0 | 109.7 | ||||
| 125 | E | 41.9 | Very low | 51.1 | Low | 178 Ų | 178 | 155.6 Ų | 155.6 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | trans | 66.4 | 136.2 | 147.3 | -69.6 | -166.6 | 170.2 | 0 | 0 | 124.1 | ||||
| 126 | I | 38.1 | Very low | 51.4 | Low | 147 Ų | 147 | 158.5 Ų | 158.5 | 75% | 0.754 | 81% | 0.811 | S | S | * | * | trans | 98.9 | 107.8 | 155.1 | -57.2 | 141.3 | 0 | 0 | 0 | 117.8 | ||||
| 127 | N | 39.8 | Very low | 51.9 | Low | 149 Ų | 149 | 162.7 Ų | 162.7 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | trans | -31.6 | 133.5 | 157.8 | -68.8 | -81.2 | 0 | 0 | 0 | 114 | ||||
| 128 | Q | 44.6 | Very low | 52.4 | Low | 181 Ų | 181 | 161.3 Ų | 161.3 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | -173 | 133.7 | 129.1 | -102.2 | 166.3 | 43.3 | 0 | 0 | 111.5 | S130 | Q128-S130 PolarHBondContact O-N 2.93Š| |||
| 129 | D | 47 | Very low | 52.9 | Low | 170 Ų | 170 | 158.2 Ų | 158.2 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | trans | -43.4 | 121.7 | 170.9 | -69.9 | -54.9 | 0 | 0 | 0 | 112.7 | ||||
| 130 | S | 51.9 | Low | 53.7 | Low | 88 Ų | 88 | 157.3 Ų | 157.3 | 62% | 0.615 | 80% | 0.8 | S | S | * | * | trans | -160.9 | 105.3 | 146.1 | 46.7 | 0 | 0 | 0 | 0 | 109.6 | Q128 K132 | Q128-S130 PolarHBondContact O-N 2.93Å; S130-K132 VanDerWaalsContact C-N 3.35Å; S130-K132 PolarHBondContact O-N 3.37Å | ||
| 131 | V | 47.4 | Very low | 54.8 | Low | 134 Ų | 134 | 152.6 Ų | 152.6 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | trans | -52.9 | 100.8 | 162.3 | 176.4 | 0 | 0 | 0 | 0 | 107.4 | K133 | V131-K133 HydrophobicContact CG1-CG 4.4Å; V131-K133 PolarHBondContact O-N 2.98Å | ||
| 132 | K | 55.3 | Low | 56.1 | Low | 192 Ų | 192 | 153.1 Ų | 153.1 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | trans | -68.7 | 86 | 173.2 | -68.6 | 179.4 | -177.1 | 175.5 | 0 | 108.1 | S130 S134 | S130-K132 VanDerWaalsContact C-N 3.35Å; S130-K132 PolarHBondContact O-N 3.37Å; K132-S134 PolarHBondContact O-N 3.33Å; K132-S134 VanDerWaalsContact O-N 3.09Å | ||
| 133 | K | 56.2 | Low | 57.6 | Low | 190 Ų | 190 | 149.5 Ų | 149.5 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | trans | -59.3 | 110.6 | 165.2 | -77.7 | 176.5 | -179.8 | 173.6 | 0 | 107.1 | V131 S135 | V131-K133 HydrophobicContact CG1-CG 4.4Å; V131-K133 PolarHBondContact O-N 2.98Å; K133-S135 PolarHBondContact O-N 2.95Å; K133-S135 VanDerWaalsContact O-N 3.11Å | ||
| 134 | S | 58.9 | Low | 58.7 | Low | 91 Ų | 91 | 147.3 Ų | 147.3 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | trans | -57.8 | 115.8 | 172.9 | 55.9 | 0 | 0 | 0 | 0 | 108.5 | K132 Q136 | K132-S134 PolarHBondContact O-N 3.33Å; K132-S134 VanDerWaalsContact O-N 3.09Å; S134-Q136 PolarHBondContact O-N 3.08Å | ||
| 135 | S | 64.7 | Low | 60.4 | Low | 122 Ų | 122 | 145.4 Ų | 145.4 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | trans | -75.3 | 51.5 | 176.1 | 63.9 | 0 | 0 | 0 | 0 | 111.3 | K133 | K133-S135 PolarHBondContact O-N 2.95Å; K133-S135 VanDerWaalsContact O-N 3.11Å | ||
| 136 | Q | 69.4 | Low | 61.6 | Low | 164 Ų | 164 | 142.9 Ų | 142.9 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | trans | -81.9 | 120.6 | 170 | -73.1 | -178.4 | -23.6 | 0 | 0 | 107.3 | S134 Q138 | S134-Q136 PolarHBondContact O-N 3.08Å; Q136-Q138 PolarHBondContact O-N 3.15Å; Q136-Q138 VanDerWaalsContact O-N 3.15Å | ||
| 137 | K | 71 | Confident | 62.2 | Low | 197 Ų | 197 | 144 Ų | 144 | 86% | 0.857 | 76% | 0.762 | S | S | * | * | trans | -57 | 120.4 | 175.4 | -68.5 | 178.8 | -179.6 | -180 | 0 | 107.8 | I139 | K137-I139 PolarHBondContact O-N 3.03Å; K137-I139 VanDerWaalsContact O-N 3.08Å | ||
| 138 | Q | 69.5 | Low | 62.9 | Low | 167 Ų | 167 | 143.3 Ų | 143.3 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | trans | -62.6 | 111.9 | 171.3 | -73.2 | -178.5 | -23.4 | 0 | 0 | 108.1 | Q136 K140 | Q136-Q138 PolarHBondContact O-N 3.15Å; Q136-Q138 VanDerWaalsContact O-N 3.15Å; Q138-K140 PolarHBondContact O-N 3.15Å; Q138-K140 VanDerWaalsContact O-N 3.15Å | ||
| 139 | I | 71.7 | Confident | 63.7 | Low | 134 Ų | 134 | 143.2 Ų | 143.2 | 69% | 0.687 | 76% | 0.764 | S | S | * | * | trans | -74 | 104.2 | 174.2 | -60.3 | 172.8 | 0 | 0 | 0 | 106.5 | K137 N141 | K137-I139 PolarHBondContact O-N 3.03Å; K137-I139 VanDerWaalsContact O-N 3.08Å; I139-N141 VanDerWaalsContact C-N 3.32Å; I139-N141 HydrophobicContact CG2-CB 4.37Å; I139-N141 VanDerWaalsContact CG2-ND2 3.28Å; I139-N141 WeakPolarHBondContact CG2-ND2 3.22Å; I139-N141 VanDerWaalsContact CG2-OD1 3.22Å; I139-N141 WeakPolarHBondContact CG2-OD1 3.28Å; I139-N141 PolarHBondContact O-N 2.99Å | ||
| 140 | K | 75.2 | Confident | 64.4 | Low | 182 Ų | 182 | 142.3 Ų | 142.3 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | trans | -87.9 | 72.9 | 175.7 | -63.5 | -178.5 | -177.4 | -178.2 | 0 | 109.1 | Q138 | Q138-K140 PolarHBondContact O-N 3.15Å; Q138-K140 VanDerWaalsContact O-N 3.15Å | ||
| 141 | N | 75.9 | Confident | 64.8 | Low | 94 Ų | 94 | 145.1 Ų | 145.1 | 50% | 0.503 | 76% | 0.762 | S | S | . | * | trans | -89.9 | 106 | 168.6 | -63.8 | -11 | 0 | 0 | 0 | 106.9 | I139 S143 L144 | I139-N141 VanDerWaalsContact C-N 3.32Å; I139-N141 HydrophobicContact CG2-CB 4.37Å; I139-N141 VanDerWaalsContact CG2-ND2 3.28Å; I139-N141 WeakPolarHBondContact CG2-ND2 3.22Å; I139-N141 VanDerWaalsContact CG2-OD1 3.22Å; I139-N141 WeakPolarHBondContact CG2-OD1 3.28Å; I139-N141 PolarHBondContact O-N 2.99Å; N141-S143 PolarHBondContact O-N 3.28Å; N141-L144 HydrophobicContact CB-CD1 3.84Å; N141-L144 HydrophobicContact CB-CG 4.12Å | ||
| 142 | S | 71.9 | Confident | 65.3 | Low | 134 Ų | 134 | 148 Ų | 148 | 94% | 0.937 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -70.1 | -15 | 178.4 | 52.3 | 0 | 0 | 0 | 0 | 113.1 | ||
| 143 | S | 71.8 | Confident | 65.2 | Low | 87 Ų | 87 | 146.6 Ų | 146.6 | 61% | 0.608 | 77% | 0.768 | S | S | * | * | trans | -139.4 | 116.2 | 170.8 | 179.3 | 0 | 0 | 0 | 0 | 108.7 | N141 L145 | N141-S143 PolarHBondContact O-N 3.28Å; S143-L145 PolarHBondContact OG-O 3.36Å | ||
| 144 | L | 71.9 | Confident | 64.6 | Low | 137 Ų | 137 | 150.5 Ų | 150.5 | 72% | 0.717 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -109.1 | -1.7 | -178.4 | -118.8 | 137.7 | 0 | 0 | 0 | 111.9 | N141 | N141-L144 HydrophobicContact CB-CD1 3.84Å; N141-L144 HydrophobicContact CB-CG 4.12Å |
| 145 | L | 73.9 | Confident | 64.9 | Low | 116 Ų | 116 | 153.5 Ų | 153.5 | 61% | 0.607 | 80% | 0.797 | S | S | * | * | trans | -142.5 | 120.8 | -179.1 | -64.1 | 172.1 | 0 | 0 | 0 | 107.6 | S143 F147 | S143-L145 PolarHBondContact OG-O 3.36Å; L145-F147 HydrophobicContact CB-CD2 3.66Å; L145-F147 HydrophobicContact CB-CE2 4.17Å; L145-F147 HydrophobicContact CD1-CD2 4.07Å; L145-F147 HydrophobicContact CD1-CE2 4.21Å; L145-F147 HydrophobicContact CD2-CD2 4.36Å; L145-F147 HydrophobicContact CD2-CE2 4Å; L145-F147 HydrophobicContact CG-CD2 4.24Å; L145-F147 HydrophobicContact CG-CE2 4.36Å; L145-F147 PolarHBondContact O-N 3.22Å | ||
| 146 | S | 66.9 | Low | 64.9 | Low | 124 Ų | 124 | 155.1 Ų | 155.1 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | trans | -78.8 | 57.4 | 168.9 | 57.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 147 | F | 50.2 | Low | 64.6 | Low | 171 Ų | 171 | 154.6 Ų | 154.6 | 75% | 0.75 | 80% | 0.796 | S | S | * | * | trans | -97.8 | 113 | 166.2 | -70.3 | -62.5 | 0 | 0 | 0 | 107.3 | L145 | L145-F147 HydrophobicContact CB-CD2 3.66Å; L145-F147 HydrophobicContact CB-CE2 4.17Å; L145-F147 HydrophobicContact CD1-CD2 4.07Å; L145-F147 HydrophobicContact CD1-CE2 4.21Å; L145-F147 HydrophobicContact CD2-CD2 4.36Å; L145-F147 HydrophobicContact CD2-CE2 4Å; L145-F147 HydrophobicContact CG-CD2 4.24Å; L145-F147 HydrophobicContact CG-CE2 4.36Å; L145-F147 PolarHBondContact O-N 3.22Å | ||
| 148 | D | 56.5 | Low | 64.2 | Low | 134 Ų | 134 | 152.1 Ų | 152.1 | 72% | 0.717 | 79% | 0.792 | S | S | * | * | trans | 65.3 | 82.7 | 154.1 | -121.9 | 15.5 | 0 | 0 | 0 | 116.8 | E150 | D148-E150 VanDerWaalsContact C-N 3.35Š| ||
| 149 | N | 60.9 | Low | 63.9 | Low | 180 Ų | 180 | 151.2 Ų | 151.2 | 96% | 0.963 | 79% | 0.793 | S | S | * | * | trans | -104.2 | 48.8 | 151.5 | -93.1 | -24.3 | 0 | 0 | 0 | 107.8 | ||||
| 150 | E | 60.3 | Low | 63.4 | Low | 150 Ų | 150 | 152.3 Ų | 152.3 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | trans | -113.1 | 111.1 | 171.7 | -127.1 | 167.8 | -165.3 | 0 | 0 | 108.1 | D148 | D148-E150 VanDerWaalsContact C-N 3.35Š| ||
| 151 | D | 60.1 | Low | 62.5 | Low | 148 Ų | 148 | 150.2 Ų | 150.2 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | 78.1 | 77.1 | 160.1 | -54.7 | -30.6 | 0 | 0 | 0 | 119.7 | ||||
| 152 | E | 58.3 | Low | 61.5 | Low | 195 Ų | 195 | 154.5 Ų | 154.5 | 91% | 0.911 | 82% | 0.823 | S | S | * | * | trans | -115.1 | 67.3 | 144.6 | -160.8 | 174.1 | -144.3 | 0 | 0 | 108.6 | ||||
| 153 | N | 53.5 | Low | 60.6 | Low | 162 Ų | 162 | 156.3 Ų | 156.3 | 87% | 0.866 | 81% | 0.814 | S | S | * | * | trans | -154.7 | 73.1 | 162.2 | -89.9 | -46.2 | 0 | 0 | 0 | 109.5 | ||||
| 154 | E | 43.4 | Very low | 59.6 | Low | 271 Ų | 271 | 162.5 Ų | 162.5 | 100% | 1.266 | 83% | 0.832 | S | S | * | * | trans | -153.6 | 0 | 141.6 | -152.1 | 157 | -153.9 | 0 | 0 | 111.3 |
Retrieved 154 of 154 residues in 271.1 ms
(Link to these results)