| 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 | 48.8 | Very low | 36.6 | Very low | 251 Ų | 251 | 120.6 Ų | 120.6 | 100% | 1.236 | 83% | 0.825 | S | S | * | * | 0 | 114.4 | 0 | -81.3 | 169.3 | 169.3 | 0 | 0 | 107.6 | |||||
| 2 | E | 27.6 | Very low | 37.4 | Very low | 191 Ų | 191 | 123.3 Ų | 123.3 | 89% | 0.893 | 83% | 0.834 | S | S | * | * | trans | -71.4 | 163.5 | 175.2 | -171.5 | 170 | 106.3 | 0 | 0 | 111.1 | ||||
| 3 | A | 37.4 | Very low | 39.8 | Very low | 95 Ų | 95 | 125.4 Ų | 125.4 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | trans | 79.7 | 131.8 | 158.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 4 | G | 37.5 | Very low | 42 | Very low | 72 Ų | 72 | 122.2 Ų | 122.2 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | trans | 156.2 | 55.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 5 | K | 38.4 | Very low | 44 | Very low | 183 Ų | 183 | 122.3 Ų | 122.3 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | 69.1 | 110.6 | 72.9 | -157.3 | 154.8 | 172.7 | 173.8 | 0 | 110.2 | |||||
| 6 | D | 35.6 | Very low | 46.1 | Very low | 134 Ų | 134 | 116 Ų | 116 | 72% | 0.717 | 73% | 0.73 | S | S | * | * | trans | 65.3 | 106.2 | 159.9 | -64.3 | -75.9 | 0 | 0 | 0 | 119.4 | ||||
| 7 | A | 44 | Very low | 48.1 | Very low | 110 Ų | 110 | 110.4 Ų | 110.4 | 91% | 0.909 | 69% | 0.694 | S | S | * | * | trans | -137.2 | 41.4 | 140.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 8 | G | 32.9 | Very low | 50 | Low | 68 Ų | 68 | 109.8 Ų | 109.8 | 70% | 0.701 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -84.9 | 116 | 151.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||
| 9 | G | 33.9 | Very low | 51.5 | Low | 82 Ų | 82 | 111.2 Ų | 111.2 | 85% | 0.845 | 67% | 0.672 | S | S | * | * | S | Bend | trans | 101.8 | 110.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 10 | G | 31.3 | Very low | 52.8 | Low | 90 Ų | 90 | 113.5 Ų | 113.5 | 93% | 0.928 | 67% | 0.668 | S | S | * | * | trans | 117.6 | 90.1 | 154.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 11 | G | 34.9 | Very low | 53.8 | Low | 51 Ų | 51 | 114.4 Ų | 114.4 | 53% | 0.526 | 68% | 0.677 | S | S | . | * | S | Bend | trans | 121.7 | 73.6 | 155.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | K13 | G11-K13 PolarHBondContact O-N 2.68Š|
| 12 | T | 46.6 | Very low | 54.9 | Low | 152 Ų | 152 | 112.6 Ų | 112.6 | 93% | 0.933 | 66% | 0.657 | S | S | * | * | trans | 45.4 | 57.3 | 145.5 | 58 | 0 | 0 | 0 | 0 | 118 | ||||
| 13 | K | 68.2 | Low | 57.1 | Low | 151 Ų | 151 | 105.5 Ų | 105.5 | 66% | 0.657 | 64% | 0.635 | S | S | * | * | trans | -131.9 | 140.3 | 159.3 | -81.3 | 117 | -178.8 | -178 | 0 | 109.1 | G11 | G11-K13 PolarHBondContact O-N 2.68Š| ||
| 14 | Y | 70.8 | Confident | 59.3 | Low | 81 Ų | 81 | 105 Ų | 105 | 32% | 0.318 | 62% | 0.615 | S | S | . | * | trans | -48.6 | 145.1 | -169.2 | -59 | -83.1 | 0 | 0 | 0 | 114.8 | G16 V17 A47 E48 A51 N69 F70 | Y14-G16 PolarHBondContact O-N 2.93Å; Y14-V17 WeakPolarHBondContact O-CB 3.31Å; Y14-V17 PolarHBondContact O-N 2.97Å; Y14-V17 VanDerWaalsContact O-N 3.12Å; Y14-A47 HydrophobicContact CD2-CB 3.86Å; Y14-A47 HydrophobicContact CE2-CB 4Å; Y14-E48 HydrophobicContact CE2-CG 4.28Å; Y14-A51 VanDerWaalsContact CB-CB 3.44Å; Y14-A51 HydrophobicContact CD1-CB 3.87Å; Y14-A51 HydrophobicContact CD2-CB 4.17Å; Y14-A51 HydrophobicContact CG-CB 3.57Å; Y14-N69 HydrophobicContact CD1-CB 4.06Å; Y14-F70 HydrophobicContact CD1-CZ 4.1Å; Y14-F70 AromaticContact CE1-CE1 3.87Å; Y14-F70 HydrophobicContact CE1-CE1 3.87Å; Y14-F70 HydrophobicContact CE1-CE2 4.48Å; Y14-F70 AromaticContact CE1-CZ 3.61Å; Y14-F70 HydrophobicContact CE1-CZ 3.61Å | ||
| 15 | R | 72.6 | Confident | 61.5 | Low | 123 Ų | 123 | 103 Ų | 103 | 46% | 0.464 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58.8 | 132.6 | 178.2 | -174.1 | -178.7 | 174.3 | -176.6 | 1 | 110.4 | V17 Y54 V67 N69 | R15-V17 PolarHBondContact O-N 2.85Å; R15-Y54 HydrophobicContact CB-CE1 4.27Å; R15-Y54 HydrophobicContact CG-CE1 3.79Å; R15-Y54 PolarHBondContact NE-OH 3.3Å; R15-Y54 WeakPolarHBondContact O-CD1 3.25Å; R15-V67 VanDerWaalsContact NH1-CB 3.27Å; R15-V67 PolarHBondContact NH1-O 3.39Å; R15-N69 WeakPolarHBondContact CA-OD1 3.49Å; R15-N69 WeakPolarHBondContact CB-OD1 3.41Å; R15-N69 PolarHBondContact N-OD1 3.41Å; R15-N69 PolarHBondContact O-ND2 2.83Å |
| 16 | G | 76.7 | Confident | 63.7 | Low | 22 Ų | 22 | 94.4 Ų | 94.4 | 23% | 0.227 | 55% | 0.549 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | -0.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y14 A27 E28 Y54 | Y14-G16 PolarHBondContact O-N 2.93Å; G16-A27 WeakPolarHBondContact O-CA 3.27Å; G16-E28 PolarHBondContact O-N 2.76Å; G16-Y54 VanDerWaalsContact CA-CD2 3.43Å |
| 17 | V | 80.7 | Confident | 66.1 | Low | 21 Ų | 21 | 88 Ų | 88 | 13% | 0.127 | 52% | 0.515 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 124 | -178.3 | -174.5 | 0 | 0 | 0 | 0 | 111.1 | Y14 R15 F25 A26 A50 A51 | Y14-V17 WeakPolarHBondContact O-CB 3.31Å; Y14-V17 PolarHBondContact O-N 2.97Å; Y14-V17 VanDerWaalsContact O-N 3.12Å; R15-V17 PolarHBondContact O-N 2.85Å; V17-F25 HydrophobicContact CG1-CB 3.85Å; V17-F25 HydrophobicContact CG1-CD1 3.79Å; V17-F25 HydrophobicContact CG1-CG 4.25Å; V17-A26 WeakPolarHBondContact CA-O 3.28Å; V17-A50 HydrophobicContact CB-CB 4.28Å; V17-A50 HydrophobicContact CG1-CB 3.69Å; V17-A50 HydrophobicContact CG2-CB 3.61Å; V17-A51 HydrophobicContact CG2-CB 3.96Å |
| 18 | R | 81.7 | Confident | 67.9 | Low | 100 Ų | 100 | 85.8 Ų | 85.8 | 38% | 0.377 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 137.6 | 171.6 | 62.2 | 178.1 | 170.4 | 74.2 | 1.9 | 111.6 | F25 A26 E28 | R18-F25 WeakPolarHBondContact O-CA 3.4Å; R18-A26 HydrophobicContact CG-CB 3.84Å; R18-A26 PolarHBondContact N-O 2.85Å; R18-A26 PolarHBondContact O-N 2.71Å; R18-E28 IonicContact CZ-OE2 4Å; R18-E28 IonicContact NE-OE1 3.32Å; R18-E28 IonicContact NE-OE2 2.82Å; R18-E28 PolarHBondContact NE-OE2 2.92Å; R18-E28 IonicContact NH2-OE2 3.53Å; R18-E28 PolarHBondContact NH2-OE2 3.35Å |
| 19 | K | 78.5 | Confident | 70.2 | Confident | 136 Ų | 136 | 82.9 Ų | 82.9 | 59% | 0.591 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 121.6 | 175.7 | -169.6 | 175 | -177.4 | 177.8 | 0 | 110.2 | F25 | K19-F25 HydrophobicContact CB-CD1 4.33Å; K19-F25 HydrophobicContact CB-CE1 4.22Å; K19-F25 HydrophobicContact CD-CE1 4.12Å; K19-F25 HydrophobicContact CD-CZ 4.38Å; K19-F25 HydrophobicContact CG-CD1 4.46Å; K19-F25 HydrophobicContact CG-CE1 4.08Å |
| 20 | R | 78.9 | Confident | 72.3 | Confident | 156 Ų | 156 | 87.7 Ų | 87.7 | 59% | 0.589 | 45% | 0.446 | S | S | * | . | trans | -83.4 | 150.8 | 173.6 | -164.5 | 77.5 | -159.8 | -112.9 | 11 | 109 | W22 G23 K24 | R20-W22 HydrophobicContact CB-CB 4.43Å; R20-W22 HydrophobicContact CG-CB 4.06Å; R20-W22 PolarHBondContact O-N 3.5Å; R20-G23 PolarHBondContact O-N 3.35Å; R20-K24 PolarHBondContact N-O 2.69Å | ||
| 21 | P | 73.1 | Confident | 73.9 | Confident | 133 Ų | 133 | 84.4 Ų | 84.4 | 86% | 0.864 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -15.7 | 169.8 | 22.9 | -36 | 0 | 0 | 0 | 113.9 | G23 | P21-G23 PolarHBondContact O-N 3.31Š|
| 22 | W | 72.1 | Confident | 75.2 | Confident | 214 Ų | 214 | 86.2 Ų | 86.2 | 81% | 0.811 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -2.6 | 172.3 | -167.9 | -114.8 | 0 | 0 | 0 | 114.1 | R20 K24 | R20-W22 HydrophobicContact CB-CB 4.43Å; R20-W22 HydrophobicContact CG-CB 4.06Å; R20-W22 PolarHBondContact O-N 3.5Å; W22-K24 VanDerWaalsContact C-N 3.32Å; W22-K24 PolarHBondContact O-N 2.88Å |
| 23 | G | 74.1 | Confident | 75.8 | Confident | 41 Ų | 41 | 86.9 Ų | 86.9 | 42% | 0.423 | 41% | 0.41 | S | S | . | . | S | Bend | trans | 86.9 | -6.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115 | R20 P21 | R20-G23 PolarHBondContact O-N 3.35Å; P21-G23 PolarHBondContact O-N 3.31Å |
| 24 | K | 83.5 | Confident | 75.3 | Confident | 84 Ų | 84 | 87.9 Ų | 87.9 | 37% | 0.365 | 41% | 0.41 | S | S | . | . | trans | -87.3 | 155 | 176.7 | -56.4 | -66.5 | -176.5 | 179.8 | 0 | 112.4 | R20 W22 D45 | R20-K24 PolarHBondContact N-O 2.69Å; W22-K24 VanDerWaalsContact C-N 3.32Å; W22-K24 PolarHBondContact O-N 2.88Å; K24-D45 WeakPolarHBondContact CD-OD1 3.06Å; K24-D45 WeakPolarHBondContact CE-OD1 3.1Å; K24-D45 IonicContact NZ-OD1 2.55Å; K24-D45 PolarHBondContact NZ-OD1 2.94Å | ||
| 25 | F | 82.6 | Confident | 74.8 | Confident | 32 Ų | 32 | 87.8 Ų | 87.8 | 14% | 0.14 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 134.8 | 173.2 | -61.5 | -87 | 0 | 0 | 0 | 109 | V17 R18 K19 T43 F44 D45 A47 A50 | V17-F25 HydrophobicContact CG1-CB 3.85Å; V17-F25 HydrophobicContact CG1-CD1 3.79Å; V17-F25 HydrophobicContact CG1-CG 4.25Å; R18-F25 WeakPolarHBondContact O-CA 3.4Å; K19-F25 HydrophobicContact CB-CD1 4.33Å; K19-F25 HydrophobicContact CB-CE1 4.22Å; K19-F25 HydrophobicContact CD-CE1 4.12Å; K19-F25 HydrophobicContact CD-CZ 4.38Å; K19-F25 HydrophobicContact CG-CD1 4.46Å; K19-F25 HydrophobicContact CG-CE1 4.08Å; F25-T43 CarbonylContact O-C 3.46Å; F25-T43 VanDerWaalsContact O-CA 3.27Å; F25-T43 WeakPolarHBondContact O-CA 3.39Å; F25-F44 PolarHBondContact N-O 3.29Å; F25-F44 PolarHBondContact O-N 3.46Å; F25-F44 VanDerWaalsContact O-O 3.11Å; F25-D45 VanDerWaalsContact CD2-O 3.31Å; F25-D45 WeakPolarHBondContact CD2-O 3.38Å; F25-D45 WeakPolarHBondContact CE2-O 3.22Å; F25-A47 HydrophobicContact CD1-CB 3.71Å; F25-A47 HydrophobicContact CD2-CB 4.48Å; F25-A47 HydrophobicContact CE1-CB 3.55Å; F25-A47 HydrophobicContact CE2-CB 4.35Å; F25-A47 HydrophobicContact CG-CB 4.18Å; F25-A47 HydrophobicContact CZ-CB 3.89Å; F25-A50 HydrophobicContact CB-CB 3.96Å |
| 26 | A | 84.4 | Confident | 74.6 | Confident | 2 Ų | 2 | 83 Ų | 83 | 2% | 0.017 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 133.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | V17 R18 G42 T43 | V17-A26 WeakPolarHBondContact CA-O 3.28Å; R18-A26 HydrophobicContact CG-CB 3.84Å; R18-A26 PolarHBondContact N-O 2.85Å; R18-A26 PolarHBondContact O-N 2.71Å; A26-G42 WeakPolarHBondContact CA-O 3.49Å; A26-T43 HydrophobicContact CB-CG2 3.95Å |
| 27 | A | 87 | Confident | 74.4 | Confident | 0 Ų | 0 | 83.9 Ų | 83.9 | 0% | 0 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 131.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | G16 L41 G42 F44 A50 A53 | G16-A27 WeakPolarHBondContact O-CA 3.27Å; A27-L41 HydrophobicContact CB-CB 4.08Å; A27-L41 HydrophobicContact CB-CD1 4.28Å; A27-L41 WeakPolarHBondContact O-CB 3.49Å; A27-L41 PolarHBondContact O-N 3.01Å; A27-G42 PolarHBondContact N-O 2.88Å; A27-G42 PolarHBondContact O-N 3.04Å; A27-F44 HydrophobicContact CB-CD2 4.08Å; A27-F44 HydrophobicContact CB-CE2 3.74Å; A27-A50 HydrophobicContact CB-CB 4.11Å; A27-A50 VanDerWaalsContact CB-O 3.32Å; A27-A50 WeakPolarHBondContact CB-O 3.47Å; A27-A53 HydrophobicContact CB-CB 4.43Å |
| 28 | E | 82.4 | Confident | 74.3 | Confident | 63 Ų | 63 | 92.7 Ų | 92.7 | 29% | 0.294 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 144 | 174.8 | 59.3 | -168.5 | -139.8 | 0 | 0 | 109.8 | G16 R18 V39 Y54 | G16-E28 PolarHBondContact O-N 2.76Å; R18-E28 IonicContact CZ-OE2 4Å; R18-E28 IonicContact NE-OE1 3.32Å; R18-E28 IonicContact NE-OE2 2.82Å; R18-E28 PolarHBondContact NE-OE2 2.92Å; R18-E28 IonicContact NH2-OE2 3.53Å; R18-E28 PolarHBondContact NH2-OE2 3.35Å; E28-V39 CarbonylContact C-O 3.55Å; E28-V39 VanDerWaalsContact CA-O 3.28Å; E28-V39 WeakPolarHBondContact CA-O 3.39Å; E28-Y54 VanDerWaalsContact O-CD2 3.24Å; E28-Y54 WeakPolarHBondContact O-CD2 3.45Å; E28-Y54 VanDerWaalsContact O-CE2 3.3Å; E28-Y54 WeakPolarHBondContact O-CE2 3.32Å |
| 29 | I | 79.2 | Confident | 74.1 | Confident | 6 Ų | 6 | 90.9 Ų | 90.9 | 3% | 0.031 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 150 | 179.2 | -171.1 | 159.6 | 0 | 0 | 0 | 111.3 | V39 L41 Y54 A57 A58 Q61 | I29-V39 HydrophobicContact CG2-CB 3.78Å; I29-V39 HydrophobicContact CG2-CG1 4.43Å; I29-V39 PolarHBondContact N-O 3.14Å; I29-V39 PolarHBondContact O-N 3.49Å; I29-L41 HydrophobicContact CB-CD1 4.06Å; I29-L41 HydrophobicContact CB-CG 4.44Å; I29-L41 HydrophobicContact CG2-CD1 4.13Å; I29-L41 HydrophobicContact CG2-CD2 3.78Å; I29-L41 HydrophobicContact CG2-CG 4.03Å; I29-Y54 HydrophobicContact CB-CD2 4.12Å; I29-Y54 HydrophobicContact CB-CE2 3.94Å; I29-Y54 HydrophobicContact CD1-CE2 4.31Å; I29-Y54 HydrophobicContact CG1-CD2 4.44Å; I29-Y54 HydrophobicContact CG1-CE2 3.89Å; I29-A57 HydrophobicContact CB-CB 4.45Å; I29-A57 HydrophobicContact CD1-CB 3.86Å; I29-A57 HydrophobicContact CG2-CB 4.17Å; I29-A58 HydrophobicContact CD1-CB 3.73Å; I29-A58 VanDerWaalsContact CD1-N 3.28Å; I29-Q61 VanDerWaalsContact CD1-CD 3.43Å; I29-Q61 HydrophobicContact CD1-CG 4.37Å; I29-Q61 VanDerWaalsContact CD1-OE1 3.3Å |
| 30 | R | 78.3 | Confident | 74.3 | Confident | 183 Ų | 183 | 92 Ų | 92 | 69% | 0.691 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 109.6 | 176.3 | -172.9 | 179.6 | -176.4 | -166.4 | -1.8 | 109.3 | A32 | R30-A32 PolarHBondContact O-N 2.93Å |
| 31 | D | 66.4 | Low | 74.5 | Confident | 22 Ų | 22 | 87.2 Ų | 87.2 | 12% | 0.118 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 104.3 | 172.9 | -73 | -94.9 | 0 | 0 | 0 | 109.9 | E33 R34 G36 A37 V39 Q61 | D31-E33 PolarHBondContact O-N 3.26Å; D31-R34 HydrophobicContact CB-CB 3.9Å; D31-G36 WeakPolarHBondContact O-CA 3.42Å; D31-G36 PolarHBondContact O-N 2.95Å; D31-A37 PolarHBondContact N-O 2.79Å; D31-A37 VanDerWaalsContact N-O 3.14Å; D31-V39 WeakPolarHBondContact OD2-CG2 3.27Å; D31-Q61 VanDerWaalsContact OD1-CG 3.25Å; D31-Q61 WeakPolarHBondContact OD1-CG 3.31Å; D31-Q61 PolarHBondContact OD1-NE2 2.97Å; D31-Q61 PolarHBondContact OD1-OE1 2.9Å; D31-Q61 PolarHBondContact OD2-NE2 3.37Å |
| 32 | A | 60.9 | Low | 75.1 | Confident | 89 Ų | 89 | 81.4 Ų | 81.4 | 74% | 0.736 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -29.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | R30 | R30-A32 PolarHBondContact O-N 2.93Š|
| 33 | E | 60.2 | Low | 75.9 | Confident | 166 Ų | 166 | 75.4 Ų | 75.4 | 78% | 0.776 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -24.2 | -176.1 | -58.9 | -166.3 | 119.8 | 0 | 0 | 113.1 | D31 | D31-E33 PolarHBondContact O-N 3.26Š|
| 34 | R | 58.2 | Low | 76.4 | Confident | 171 Ų | 171 | 75.3 Ų | 75.3 | 65% | 0.645 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | 33.2 | -179.7 | -128.1 | 177.8 | -155.5 | -116.6 | 3.2 | 113.1 | D31 G36 | D31-R34 HydrophobicContact CB-CB 3.9Å; R34-G36 PolarHBondContact O-N 3.38Å |
| 35 | G | 60.3 | Low | 76.5 | Confident | 79 Ų | 79 | 76.2 Ų | 76.2 | 81% | 0.814 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.6 | 21.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 36 | G | 67.3 | Low | 76.7 | Confident | 22 Ų | 22 | 77.5 Ų | 77.5 | 23% | 0.227 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | 21 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | D31 R34 R38 | D31-G36 WeakPolarHBondContact O-CA 3.42Å; D31-G36 PolarHBondContact O-N 2.95Å; R34-G36 PolarHBondContact O-N 3.38Å; G36-R38 PolarHBondContact O-N 3.01Å |
| 37 | A | 72.7 | Confident | 76.8 | Confident | 42 Ų | 42 | 78 Ų | 78 | 35% | 0.347 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54 | 137 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | D31 | D31-A37 PolarHBondContact N-O 2.79Å; D31-A37 VanDerWaalsContact N-O 3.14Å |
| 38 | R | 79.3 | Confident | 76.7 | Confident | 205 Ų | 205 | 82.3 Ų | 82.3 | 77% | 0.774 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 111.3 | 176 | -60.3 | 178.9 | -175.4 | -158.9 | 2.1 | 107.5 | G36 | G36-R38 PolarHBondContact O-N 3.01Å |
| 39 | V | 76.6 | Confident | 76.8 | Confident | 63 Ų | 63 | 82.8 Ų | 82.8 | 38% | 0.382 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 119.3 | 177.9 | -178 | 0 | 0 | 0 | 0 | 108 | E28 I29 D31 L41 | E28-V39 CarbonylContact C-O 3.55Å; E28-V39 VanDerWaalsContact CA-O 3.28Å; E28-V39 WeakPolarHBondContact CA-O 3.39Å; I29-V39 HydrophobicContact CG2-CB 3.78Å; I29-V39 HydrophobicContact CG2-CG1 4.43Å; I29-V39 PolarHBondContact N-O 3.14Å; I29-V39 PolarHBondContact O-N 3.49Å; D31-V39 WeakPolarHBondContact OD2-CG2 3.27Å; V39-L41 HydrophobicContact CG1-CD2 4.33Å; V39-L41 PolarHBondContact O-N 2.9Å |
| 40 | W | 83 | Confident | 77.2 | Confident | 158 Ų | 158 | 82.5 Ų | 82.5 | 60% | 0.598 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78 | 118.8 | 172.8 | 176.2 | 54.2 | 0 | 0 | 0 | 108.9 | G42 T43 | W40-G42 VanDerWaalsContact NE1-C 3.26Å; W40-G42 PolarHBondContact NE1-O 3.46Å; W40-T43 HydrophobicContact CZ2-CG2 3.98Å |
| 41 | L | 83.3 | Confident | 77.6 | Confident | 57 Ų | 57 | 73.8 Ų | 73.8 | 30% | 0.298 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | -32.9 | -177.3 | -60.8 | 174.7 | 0 | 0 | 0 | 111.7 | A27 I29 V39 Y54 A57 | A27-L41 HydrophobicContact CB-CB 4.08Å; A27-L41 HydrophobicContact CB-CD1 4.28Å; A27-L41 WeakPolarHBondContact O-CB 3.49Å; A27-L41 PolarHBondContact O-N 3.01Å; I29-L41 HydrophobicContact CB-CD1 4.06Å; I29-L41 HydrophobicContact CB-CG 4.44Å; I29-L41 HydrophobicContact CG2-CD1 4.13Å; I29-L41 HydrophobicContact CG2-CD2 3.78Å; I29-L41 HydrophobicContact CG2-CG 4.03Å; V39-L41 HydrophobicContact CG1-CD2 4.33Å; V39-L41 PolarHBondContact O-N 2.9Å; L41-Y54 HydrophobicContact CD1-CD2 4.36Å; L41-A57 HydrophobicContact CD1-CB 3.54Å; L41-A57 HydrophobicContact CD2-CB 3.46Å; L41-A57 VanDerWaalsContact CD2-CB 3.46Å; L41-A57 HydrophobicContact CG-CB 4.14Å |
| 42 | G | 85.6 | Confident | 78.6 | Confident | 10 Ų | 10 | 77.4 Ų | 77.4 | 10% | 0.103 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 157.8 | -176.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | A26 A27 W40 | A26-G42 WeakPolarHBondContact CA-O 3.49Å; A27-G42 PolarHBondContact N-O 2.88Å; A27-G42 PolarHBondContact O-N 3.04Å; W40-G42 VanDerWaalsContact NE1-C 3.26Å; W40-G42 PolarHBondContact NE1-O 3.46Å |
| 43 | T | 88.5 | Confident | 79.8 | Confident | 88 Ų | 88 | 74.1 Ų | 74.1 | 54% | 0.54 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 134.7 | 170.5 | 50.4 | 0 | 0 | 0 | 0 | 108.8 | F25 A26 W40 | F25-T43 CarbonylContact O-C 3.46Å; F25-T43 VanDerWaalsContact O-CA 3.27Å; F25-T43 WeakPolarHBondContact O-CA 3.39Å; A26-T43 HydrophobicContact CB-CG2 3.95Å; W40-T43 HydrophobicContact CZ2-CG2 3.98Å |
| 44 | F | 85.4 | Confident | 81 | Confident | 39 Ų | 39 | 66.9 Ų | 66.9 | 17% | 0.171 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 158.1 | -174.4 | -57.5 | -82.1 | 0 | 0 | 0 | 110.1 | F25 A27 E49 A50 A53 | F25-F44 PolarHBondContact N-O 3.29Å; F25-F44 PolarHBondContact O-N 3.46Å; F25-F44 VanDerWaalsContact O-O 3.11Å; A27-F44 HydrophobicContact CB-CD2 4.08Å; A27-F44 HydrophobicContact CB-CE2 3.74Å; F44-E49 HydrophobicContact CB-CB 4.24Å; F44-E49 HydrophobicContact CB-CG 4.33Å; F44-E49 HydrophobicContact CD1-CB 4.24Å; F44-E49 HydrophobicContact CD1-CG 3.46Å; F44-E49 VanDerWaalsContact CD1-CG 3.46Å; F44-E49 WeakPolarHBondContact CD1-OE1 3.28Å; F44-E49 HydrophobicContact CE1-CG 4Å; F44-E49 HydrophobicContact CG-CB 4.38Å; F44-E49 HydrophobicContact CG-CG 4.07Å; F44-A50 HydrophobicContact CB-CB 4.06Å; F44-A50 HydrophobicContact CD2-CB 3.62Å; F44-A50 HydrophobicContact CE2-CB 4.49Å; F44-A50 HydrophobicContact CG-CB 4.14Å; F44-A53 HydrophobicContact CD2-CB 4.48Å; F44-A53 HydrophobicContact CE1-CB 4.21Å; F44-A53 HydrophobicContact CE2-CB 3.49Å; F44-A53 VanDerWaalsContact CE2-CB 3.49Å; F44-A53 HydrophobicContact CZ-CB 3.3Å |
| 45 | D | 85.8 | Confident | 82.2 | Confident | 104 Ų | 104 | 59.2 Ų | 59.2 | 56% | 0.556 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -80.4 | -25.1 | 179 | -66 | -34.1 | 0 | 0 | 0 | 112 | K24 F25 | K24-D45 WeakPolarHBondContact CD-OD1 3.06Å; K24-D45 WeakPolarHBondContact CE-OD1 3.1Å; K24-D45 IonicContact NZ-OD1 2.55Å; K24-D45 PolarHBondContact NZ-OD1 2.94Å; F25-D45 VanDerWaalsContact CD2-O 3.31Å; F25-D45 WeakPolarHBondContact CD2-O 3.38Å; F25-D45 WeakPolarHBondContact CE2-O 3.22Å |
| 46 | T | 86.5 | Confident | 83.3 | Confident | 58 Ų | 58 | 64.3 Ų | 64.3 | 36% | 0.356 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -118.5 | 155.2 | -177.6 | 67 | 0 | 0 | 0 | 0 | 111.7 | E48 E49 A50 | T46-E48 VanDerWaalsContact C-N 3.35Å; T46-E49 WeakPolarHBondContact OG1-CB 3.4Å; T46-E49 PolarHBondContact OG1-N 2.96Å; T46-A50 PolarHBondContact O-N 3.32Å |
| 47 | A | 85.1 | Confident | 84.1 | Confident | 12 Ų | 12 | 64.1 Ų | 64.1 | 10% | 0.099 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -74.7 | -34 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y14 F25 A51 | Y14-A47 HydrophobicContact CD2-CB 3.86Å; Y14-A47 HydrophobicContact CE2-CB 4Å; F25-A47 HydrophobicContact CD1-CB 3.71Å; F25-A47 HydrophobicContact CD2-CB 4.48Å; F25-A47 HydrophobicContact CE1-CB 3.55Å; F25-A47 HydrophobicContact CE2-CB 4.35Å; F25-A47 HydrophobicContact CG-CB 4.18Å; F25-A47 HydrophobicContact CZ-CB 3.89Å; A47-A51 VanDerWaalsContact O-CB 3.28Å; A47-A51 WeakPolarHBondContact O-CB 3.24Å; A47-A51 PolarHBondContact O-N 2.81Å |
| 48 | E | 85.7 | Confident | 84.4 | Confident | 91 Ų | 91 | 62.5 Ų | 62.5 | 43% | 0.425 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -68.3 | -44.9 | -178.5 | -62.2 | 78.5 | -176.1 | 0 | 0 | 111 | Y14 T46 A51 R52 F70 | Y14-E48 HydrophobicContact CE2-CG 4.28Å; T46-E48 VanDerWaalsContact C-N 3.35Å; E48-A51 PolarHBondContact O-N 2.84Å; E48-R52 WeakPolarHBondContact O-CG 3.3Å; E48-R52 PolarHBondContact O-N 3.46Å; E48-F70 HydrophobicContact CB-CZ 4.44Å |
| 49 | E | 85.6 | Confident | 84.3 | Confident | 74 Ų | 74 | 56.7 Ų | 56.7 | 35% | 0.346 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.5 | -42.7 | 175.4 | -170.5 | -175.7 | -173.4 | 0 | 0 | 111.6 | F44 T46 A51 R52 A53 | F44-E49 HydrophobicContact CB-CB 4.24Å; F44-E49 HydrophobicContact CB-CG 4.33Å; F44-E49 HydrophobicContact CD1-CB 4.24Å; F44-E49 HydrophobicContact CD1-CG 3.46Å; F44-E49 VanDerWaalsContact CD1-CG 3.46Å; F44-E49 WeakPolarHBondContact CD1-OE1 3.28Å; F44-E49 HydrophobicContact CE1-CG 4Å; F44-E49 HydrophobicContact CG-CB 4.38Å; F44-E49 HydrophobicContact CG-CG 4.07Å; T46-E49 WeakPolarHBondContact OG1-CB 3.4Å; T46-E49 PolarHBondContact OG1-N 2.96Å; E49-A51 VanDerWaalsContact C-N 3.27Å; E49-A51 PolarHBondContact O-N 3.17Å; E49-R52 PolarHBondContact O-N 3.29Å; E49-A53 WeakPolarHBondContact O-CB 3.2Å; E49-A53 PolarHBondContact O-N 3.27Å |
| 50 | A | 87.4 | Confident | 84.2 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59 | -40.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V17 F25 A27 F44 T46 A53 Y54 | V17-A50 HydrophobicContact CB-CB 4.28Å; V17-A50 HydrophobicContact CG1-CB 3.69Å; V17-A50 HydrophobicContact CG2-CB 3.61Å; F25-A50 HydrophobicContact CB-CB 3.96Å; A27-A50 HydrophobicContact CB-CB 4.11Å; A27-A50 VanDerWaalsContact CB-O 3.32Å; A27-A50 WeakPolarHBondContact CB-O 3.47Å; F44-A50 HydrophobicContact CB-CB 4.06Å; F44-A50 HydrophobicContact CD2-CB 3.62Å; F44-A50 HydrophobicContact CE2-CB 4.49Å; F44-A50 HydrophobicContact CG-CB 4.14Å; T46-A50 PolarHBondContact O-N 3.32Å; A50-A53 PolarHBondContact O-N 2.98Å; A50-Y54 PolarHBondContact O-N 3.19Å |
| 51 | A | 86.9 | Confident | 83.5 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.8 | -39.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y14 V17 A47 E48 E49 Y54 D55 N69 F70 | Y14-A51 VanDerWaalsContact CB-CB 3.44Å; Y14-A51 HydrophobicContact CD1-CB 3.87Å; Y14-A51 HydrophobicContact CD2-CB 4.17Å; Y14-A51 HydrophobicContact CG-CB 3.57Å; V17-A51 HydrophobicContact CG2-CB 3.96Å; A47-A51 VanDerWaalsContact O-CB 3.28Å; A47-A51 WeakPolarHBondContact O-CB 3.24Å; A47-A51 PolarHBondContact O-N 2.81Å; E48-A51 PolarHBondContact O-N 2.84Å; E49-A51 VanDerWaalsContact C-N 3.27Å; E49-A51 PolarHBondContact O-N 3.17Å; A51-Y54 WeakPolarHBondContact O-CB 3.34Å; A51-Y54 PolarHBondContact O-N 2.88Å; A51-D55 VanDerWaalsContact O-CG 3.26Å; A51-D55 PolarHBondContact O-N 2.98Å; A51-N69 HydrophobicContact CB-CB 4.23Å; A51-F70 HydrophobicContact CB-CD2 4.48Å; A51-F70 HydrophobicContact CB-CE2 3.53Å; A51-F70 HydrophobicContact CB-CZ 4.13Å |
| 52 | R | 86.2 | Confident | 82.6 | Confident | 98 Ų | 98 | 56 Ų | 56 | 37% | 0.37 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.7 | -40.5 | 173.3 | -74 | -172 | -64.9 | 158.4 | 0.9 | 112 | E48 E49 Y54 D55 R56 F70 | E48-R52 WeakPolarHBondContact O-CG 3.3Å; E48-R52 PolarHBondContact O-N 3.46Å; E49-R52 PolarHBondContact O-N 3.29Å; R52-Y54 VanDerWaalsContact C-N 3.32Å; R52-Y54 PolarHBondContact O-N 3.5Å; R52-D55 PolarHBondContact O-N 3.44Å; R52-R56 WeakPolarHBondContact O-CG 3.35Å; R52-R56 PolarHBondContact O-N 2.83Å; R52-F70 HydrophobicContact CG-CD2 3.79Å; R52-F70 HydrophobicContact CG-CE2 3.7Å |
| 53 | A | 87.3 | Confident | 81.8 | Confident | 20 Ų | 20 | 56.9 Ų | 56.9 | 17% | 0.165 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A27 F44 E49 A50 D55 A57 | A27-A53 HydrophobicContact CB-CB 4.43Å; F44-A53 HydrophobicContact CD2-CB 4.48Å; F44-A53 HydrophobicContact CE1-CB 4.21Å; F44-A53 HydrophobicContact CE2-CB 3.49Å; F44-A53 VanDerWaalsContact CE2-CB 3.49Å; F44-A53 HydrophobicContact CZ-CB 3.3Å; E49-A53 WeakPolarHBondContact O-CB 3.2Å; E49-A53 PolarHBondContact O-N 3.27Å; A50-A53 PolarHBondContact O-N 2.98Å; A53-D55 VanDerWaalsContact C-N 3.34Å; A53-A57 PolarHBondContact O-N 3.01Å |
| 54 | Y | 84.6 | Confident | 80.5 | Confident | 14 Ų | 14 | 56 Ų | 56 | 6% | 0.055 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.3 | -43.4 | 171.7 | -179.8 | -90.2 | 0 | 0 | 0 | 112.1 | R15 G16 E28 I29 L41 A50 A51 R52 A57 A58 | R15-Y54 HydrophobicContact CB-CE1 4.27Å; R15-Y54 HydrophobicContact CG-CE1 3.79Å; R15-Y54 PolarHBondContact NE-OH 3.3Å; R15-Y54 WeakPolarHBondContact O-CD1 3.25Å; G16-Y54 VanDerWaalsContact CA-CD2 3.43Å; E28-Y54 VanDerWaalsContact O-CD2 3.24Å; E28-Y54 WeakPolarHBondContact O-CD2 3.45Å; E28-Y54 VanDerWaalsContact O-CE2 3.3Å; E28-Y54 WeakPolarHBondContact O-CE2 3.32Å; I29-Y54 HydrophobicContact CB-CD2 4.12Å; I29-Y54 HydrophobicContact CB-CE2 3.94Å; I29-Y54 HydrophobicContact CD1-CE2 4.31Å; I29-Y54 HydrophobicContact CG1-CD2 4.44Å; I29-Y54 HydrophobicContact CG1-CE2 3.89Å; L41-Y54 HydrophobicContact CD1-CD2 4.36Å; A50-Y54 PolarHBondContact O-N 3.19Å; A51-Y54 WeakPolarHBondContact O-CB 3.34Å; A51-Y54 PolarHBondContact O-N 2.88Å; R52-Y54 VanDerWaalsContact C-N 3.32Å; R52-Y54 PolarHBondContact O-N 3.5Å; Y54-A57 PolarHBondContact O-N 2.98Å; Y54-A58 HydrophobicContact CD1-CB 4.4Å; Y54-A58 HydrophobicContact CE1-CB 4.06Å; Y54-A58 VanDerWaalsContact O-CB 3.31Å; Y54-A58 WeakPolarHBondContact O-CB 3.28Å; Y54-A58 PolarHBondContact O-N 2.92Å |
| 55 | D | 83.5 | Confident | 79.5 | Confident | 9 Ų | 9 | 58.7 Ų | 58.7 | 5% | 0.048 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65 | -41.7 | -178.5 | -73.5 | -3.8 | 0 | 0 | 0 | 112.2 | A51 R52 A53 A57 A58 F59 L68 N69 F70 | A51-D55 VanDerWaalsContact O-CG 3.26Å; A51-D55 PolarHBondContact O-N 2.98Å; R52-D55 PolarHBondContact O-N 3.44Å; A53-D55 VanDerWaalsContact C-N 3.34Å; D55-A57 VanDerWaalsContact C-N 3.34Å; D55-A57 PolarHBondContact O-N 3.47Å; D55-A58 PolarHBondContact O-N 3.32Å; D55-F59 VanDerWaalsContact O-CB 3.28Å; D55-F59 WeakPolarHBondContact O-CB 3.48Å; D55-F59 PolarHBondContact O-N 2.82Å; D55-L68 HydrophobicContact CB-CB 4.18Å; D55-L68 HydrophobicContact CB-CD1 4.36Å; D55-L68 HydrophobicContact CB-CD2 3.95Å; D55-L68 HydrophobicContact CB-CG 4.39Å; D55-L68 WeakPolarHBondContact O-CD2 3.37Å; D55-L68 WeakPolarHBondContact OD1-CA 3.21Å; D55-N69 VanDerWaalsContact CG-N 3.28Å; D55-N69 PolarHBondContact OD1-N 2.94Å; D55-N69 PolarHBondContact OD1-ND2 3.26Å; D55-N69 WeakPolarHBondContact OD2-CB 3.41Å; D55-N69 PolarHBondContact OD2-N 3.29Å; D55-F70 WeakPolarHBondContact OD2-CD2 3.4Å; D55-F70 PolarHBondContact OD2-N 2.91Å |
| 56 | R | 83.6 | Confident | 78.7 | Confident | 187 Ų | 187 | 54.5 Ų | 54.5 | 71% | 0.706 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -58 | -46.5 | 173.3 | -70.2 | 174.2 | -175.5 | -170.4 | -0.8 | 111.6 | R52 A60 | R52-R56 WeakPolarHBondContact O-CG 3.35Å; R52-R56 PolarHBondContact O-N 2.83Å; R56-A60 WeakPolarHBondContact O-CB 3.34Å; R56-A60 PolarHBondContact O-N 2.87Å |
| 57 | A | 83 | Confident | 77.8 | Confident | 17 Ų | 17 | 55.9 Ų | 55.9 | 14% | 0.14 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.8 | -41.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I29 L41 A53 Y54 D55 A60 Q61 | I29-A57 HydrophobicContact CB-CB 4.45Å; I29-A57 HydrophobicContact CD1-CB 3.86Å; I29-A57 HydrophobicContact CG2-CB 4.17Å; L41-A57 HydrophobicContact CD1-CB 3.54Å; L41-A57 HydrophobicContact CD2-CB 3.46Å; L41-A57 VanDerWaalsContact CD2-CB 3.46Å; L41-A57 HydrophobicContact CG-CB 4.14Å; A53-A57 PolarHBondContact O-N 3.01Å; Y54-A57 PolarHBondContact O-N 2.98Å; D55-A57 VanDerWaalsContact C-N 3.34Å; D55-A57 PolarHBondContact O-N 3.47Å; A57-A60 PolarHBondContact O-N 2.95Å; A57-Q61 VanDerWaalsContact O-CG 3.31Å; A57-Q61 WeakPolarHBondContact O-CG 3.02Å; A57-Q61 PolarHBondContact O-N 2.93Å |
| 58 | A | 79.7 | Confident | 77.4 | Confident | 9 Ų | 9 | 56.6 Ų | 56.6 | 7% | 0.074 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.4 | -39.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I29 Y54 D55 Q61 R62 A66 L68 | I29-A58 HydrophobicContact CD1-CB 3.73Å; I29-A58 VanDerWaalsContact CD1-N 3.28Å; Y54-A58 HydrophobicContact CD1-CB 4.4Å; Y54-A58 HydrophobicContact CE1-CB 4.06Å; Y54-A58 VanDerWaalsContact O-CB 3.31Å; Y54-A58 WeakPolarHBondContact O-CB 3.28Å; Y54-A58 PolarHBondContact O-N 2.92Å; D55-A58 PolarHBondContact O-N 3.32Å; A58-Q61 PolarHBondContact O-N 2.73Å; A58-R62 PolarHBondContact O-N 3.12Å; A58-A66 HydrophobicContact CB-CB 4.25Å; A58-A66 VanDerWaalsContact O-CB 3.27Å; A58-A66 WeakPolarHBondContact O-CB 3.4Å; A58-L68 HydrophobicContact CB-CD2 3.74Å |
| 59 | F | 76.5 | Confident | 76.8 | Confident | 82 Ų | 82 | 54 Ų | 54 | 36% | 0.36 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.7 | -41 | 173.2 | -171.1 | -95.3 | 0 | 0 | 0 | 111.5 | D55 Q61 G63 L68 I74 | D55-F59 VanDerWaalsContact O-CB 3.28Å; D55-F59 WeakPolarHBondContact O-CB 3.48Å; D55-F59 PolarHBondContact O-N 2.82Å; F59-Q61 VanDerWaalsContact C-N 3.29Å; F59-Q61 PolarHBondContact O-N 3.44Å; F59-G63 WeakPolarHBondContact CD2-O 3.42Å; F59-G63 WeakPolarHBondContact O-CA 3.45Å; F59-G63 PolarHBondContact O-N 2.97Å; F59-L68 HydrophobicContact CB-CD2 4.46Å; F59-L68 HydrophobicContact CD2-CD1 4.44Å; F59-I74 HydrophobicContact CD2-CD1 4.06Å; F59-I74 HydrophobicContact CD2-CG2 4.48Å; F59-I74 HydrophobicContact CE2-CG2 3.98Å; F59-I74 HydrophobicContact CG-CD1 4.33Å; F59-I74 HydrophobicContact CZ-CG2 4.46Å |
| 60 | A | 76.2 | Confident | 76.1 | Confident | 64 Ų | 64 | 53 Ų | 53 | 53% | 0.529 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.2 | -34 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | R56 A57 | R56-A60 WeakPolarHBondContact O-CB 3.34Å; R56-A60 PolarHBondContact O-N 2.87Å; A57-A60 PolarHBondContact O-N 2.95Å |
| 61 | Q | 66.8 | Low | 74.8 | Confident | 57 Ų | 57 | 57 Ų | 57 | 27% | 0.266 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -79.9 | -46.7 | 179.3 | -70.2 | 178.3 | 14.1 | 0 | 0 | 113.4 | I29 D31 A57 A58 F59 | I29-Q61 VanDerWaalsContact CD1-CD 3.43Å; I29-Q61 HydrophobicContact CD1-CG 4.37Å; I29-Q61 VanDerWaalsContact CD1-OE1 3.3Å; D31-Q61 VanDerWaalsContact OD1-CG 3.25Å; D31-Q61 WeakPolarHBondContact OD1-CG 3.31Å; D31-Q61 PolarHBondContact OD1-NE2 2.97Å; D31-Q61 PolarHBondContact OD1-OE1 2.9Å; D31-Q61 PolarHBondContact OD2-NE2 3.37Å; A57-Q61 VanDerWaalsContact O-CG 3.31Å; A57-Q61 WeakPolarHBondContact O-CG 3.02Å; A57-Q61 PolarHBondContact O-N 2.93Å; A58-Q61 PolarHBondContact O-N 2.73Å; F59-Q61 VanDerWaalsContact C-N 3.29Å; F59-Q61 PolarHBondContact O-N 3.44Å |
| 62 | R | 65.6 | Low | 73 | Confident | 144 Ų | 144 | 60.2 Ų | 60.2 | 54% | 0.543 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -108.6 | -4.7 | -170 | -139.3 | -169.3 | -175.7 | -169.7 | 6 | 114.1 | A58 T65 A66 | A58-R62 PolarHBondContact O-N 3.12Å; R62-T65 WeakPolarHBondContact CD-O 3.14Å; R62-T65 WeakPolarHBondContact CG-OG1 3.42Å; R62-T65 PolarHBondContact NH1-O 3.46Å; R62-T65 VanDerWaalsContact NH1-O 3.14Å; R62-T65 PolarHBondContact O-N 2.94Å; R62-T65 PolarHBondContact O-OG1 3.14Å; R62-A66 HydrophobicContact CB-CB 3.89Å |
| 63 | G | 67.5 | Low | 71.3 | Confident | 28 Ų | 28 | 62.2 Ų | 62.2 | 29% | 0.289 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | 61.3 | -145.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | F59 T65 A66 | F59-G63 WeakPolarHBondContact CD2-O 3.42Å; F59-G63 WeakPolarHBondContact O-CA 3.45Å; F59-G63 PolarHBondContact O-N 2.97Å; G63-T65 PolarHBondContact O-N 2.93Å; G63-A66 VanDerWaalsContact O-CB 3.22Å; G63-A66 WeakPolarHBondContact O-CB 3.48Å; G63-A66 PolarHBondContact O-N 2.55Å |
| 64 | A | 62 | Low | 69.5 | Low | 69 Ų | 69 | 64.1 Ų | 64.1 | 57% | 0.57 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -61.5 | -7.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | A78 | A64-A78 HydrophobicContact CB-CB 3.77Š|
| 65 | T | 64.6 | Low | 67.6 | Low | 95 Ų | 95 | 66 Ų | 66 | 58% | 0.583 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -96.5 | 1.7 | 176.6 | 72.3 | 0 | 0 | 0 | 0 | 113.1 | R62 G63 | R62-T65 WeakPolarHBondContact CD-O 3.14Å; R62-T65 WeakPolarHBondContact CG-OG1 3.42Å; R62-T65 PolarHBondContact NH1-O 3.46Å; R62-T65 VanDerWaalsContact NH1-O 3.14Å; R62-T65 PolarHBondContact O-N 2.94Å; R62-T65 PolarHBondContact O-OG1 3.14Å; G63-T65 PolarHBondContact O-N 2.93Å |
| 66 | A | 68.3 | Low | 65.4 | Low | 17 Ų | 17 | 69.8 Ų | 69.8 | 14% | 0.14 | 42% | 0.422 | C | S | . | . | trans | -63.6 | 134 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | A58 R62 G63 L68 | A58-A66 HydrophobicContact CB-CB 4.25Å; A58-A66 VanDerWaalsContact O-CB 3.27Å; A58-A66 WeakPolarHBondContact O-CB 3.4Å; R62-A66 HydrophobicContact CB-CB 3.89Å; G63-A66 VanDerWaalsContact O-CB 3.22Å; G63-A66 WeakPolarHBondContact O-CB 3.48Å; G63-A66 PolarHBondContact O-N 2.55Å; A66-L68 HydrophobicContact CB-CD2 3.58Å; A66-L68 HydrophobicContact CB-CG 4.2Å; A66-L68 PolarHBondContact O-N 3.36Å | ||
| 67 | V | 67.1 | Low | 63.6 | Low | 87 Ų | 87 | 65 Ų | 65 | 53% | 0.527 | 42% | 0.423 | S | S | . | . | trans | -92.1 | 101.3 | 173.4 | 171.5 | 0 | 0 | 0 | 0 | 107.4 | R15 | R15-V67 VanDerWaalsContact NH1-CB 3.27Å; R15-V67 PolarHBondContact NH1-O 3.39Å | ||
| 68 | L | 78.2 | Confident | 61.7 | Low | 27 Ų | 27 | 66.5 Ų | 66.5 | 14% | 0.141 | 44% | 0.435 | C | S | . | . | trans | -94 | 159.3 | -174.9 | -52.7 | -173.6 | 0 | 0 | 0 | 111.4 | D55 A58 F59 A66 I74 | D55-L68 HydrophobicContact CB-CB 4.18Å; D55-L68 HydrophobicContact CB-CD1 4.36Å; D55-L68 HydrophobicContact CB-CD2 3.95Å; D55-L68 HydrophobicContact CB-CG 4.39Å; D55-L68 WeakPolarHBondContact O-CD2 3.37Å; D55-L68 WeakPolarHBondContact OD1-CA 3.21Å; A58-L68 HydrophobicContact CB-CD2 3.74Å; F59-L68 HydrophobicContact CB-CD2 4.46Å; F59-L68 HydrophobicContact CD2-CD1 4.44Å; A66-L68 HydrophobicContact CB-CD2 3.58Å; A66-L68 HydrophobicContact CB-CG 4.2Å; A66-L68 PolarHBondContact O-N 3.36Å; L68-I74 HydrophobicContact CD1-CD1 3.31Å; L68-I74 HydrophobicContact CD1-CG1 4.15Å | ||
| 69 | N | 73.4 | Confident | 59.7 | Low | 37 Ų | 37 | 70 Ų | 70 | 20% | 0.198 | 47% | 0.472 | C | S | . | . | S | Bend | trans | -74.3 | -35.9 | 172.8 | -68.6 | -69.3 | 0 | 0 | 0 | 112.1 | Y14 R15 A51 D55 P71 | Y14-N69 HydrophobicContact CD1-CB 4.06Å; R15-N69 WeakPolarHBondContact CA-OD1 3.49Å; R15-N69 WeakPolarHBondContact CB-OD1 3.41Å; R15-N69 PolarHBondContact N-OD1 3.41Å; R15-N69 PolarHBondContact O-ND2 2.83Å; A51-N69 HydrophobicContact CB-CB 4.23Å; D55-N69 VanDerWaalsContact CG-N 3.28Å; D55-N69 PolarHBondContact OD1-N 2.94Å; D55-N69 PolarHBondContact OD1-ND2 3.26Å; D55-N69 WeakPolarHBondContact OD2-CB 3.41Å; D55-N69 PolarHBondContact OD2-N 3.29Å; N69-P71 WeakPolarHBondContact O-CD 3.31Å |
| 70 | F | 69.8 | Low | 58.1 | Low | 52 Ų | 52 | 70.7 Ų | 70.7 | 23% | 0.228 | 49% | 0.487 | C | S | . | . | trans | -113 | 74 | 179.8 | -57.1 | -75.9 | 0 | 0 | 0 | 110.7 | Y14 E48 A51 R52 D55 G72 E73 | Y14-F70 HydrophobicContact CD1-CZ 4.1Å; Y14-F70 AromaticContact CE1-CE1 3.87Å; Y14-F70 HydrophobicContact CE1-CE1 3.87Å; Y14-F70 HydrophobicContact CE1-CE2 4.48Å; Y14-F70 AromaticContact CE1-CZ 3.61Å; Y14-F70 HydrophobicContact CE1-CZ 3.61Å; E48-F70 HydrophobicContact CB-CZ 4.44Å; A51-F70 HydrophobicContact CB-CD2 4.48Å; A51-F70 HydrophobicContact CB-CE2 3.53Å; A51-F70 HydrophobicContact CB-CZ 4.13Å; R52-F70 HydrophobicContact CG-CD2 3.79Å; R52-F70 HydrophobicContact CG-CE2 3.7Å; D55-F70 WeakPolarHBondContact OD2-CD2 3.4Å; D55-F70 PolarHBondContact OD2-N 2.91Å; F70-G72 PolarHBondContact O-N 3.04Å; F70-E73 PolarHBondContact O-N 2.89Å | ||
| 71 | P | 59.9 | Low | 56.3 | Low | 83 Ų | 83 | 70.8 Ų | 70.8 | 54% | 0.539 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.3 | -17.2 | 176.8 | 25.9 | -33.9 | 0 | 0 | 0 | 112.7 | N69 A75 | N69-P71 WeakPolarHBondContact O-CD 3.31Å; P71-A75 WeakPolarHBondContact O-CB 3.41Å; P71-A75 PolarHBondContact O-N 3.02Å |
| 72 | G | 50.2 | Low | 55.1 | Low | 69 Ų | 69 | 80.1 Ų | 80.1 | 71% | 0.711 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -77.9 | -18.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | F70 | F70-G72 PolarHBondContact O-N 3.04Å |
| 73 | E | 49.6 | Very low | 53.6 | Low | 140 Ų | 140 | 77.1 Ų | 77.1 | 65% | 0.654 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -83.5 | -19.1 | 178.2 | -80.5 | -163.6 | 118 | 0 | 0 | 112.9 | F70 | F70-E73 PolarHBondContact O-N 2.89Å |
| 74 | I | 49.8 | Very low | 52.2 | Low | 59 Ų | 59 | 80 Ų | 80 | 30% | 0.303 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -114.7 | -10.2 | -176.9 | -44.9 | -170.1 | 0 | 0 | 0 | 112.2 | F59 L68 G76 A77 | F59-I74 HydrophobicContact CD2-CD1 4.06Å; F59-I74 HydrophobicContact CD2-CG2 4.48Å; F59-I74 HydrophobicContact CE2-CG2 3.98Å; F59-I74 HydrophobicContact CG-CD1 4.33Å; F59-I74 HydrophobicContact CZ-CG2 4.46Å; L68-I74 HydrophobicContact CD1-CD1 3.31Å; L68-I74 HydrophobicContact CD1-CG1 4.15Å; I74-G76 PolarHBondContact O-N 2.81Å; I74-A77 PolarHBondContact O-N 2.87Å |
| 75 | A | 43.5 | Very low | 51 | Low | 55 Ų | 55 | 79.8 Ų | 79.8 | 46% | 0.455 | 58% | 0.575 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.4 | 4.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | P71 A77 | P71-A75 WeakPolarHBondContact O-CB 3.41Å; P71-A75 PolarHBondContact O-N 3.02Å; A75-A77 VanDerWaalsContact C-N 3.26Å |
| 76 | G | 38.6 | Very low | 50.2 | Low | 88 Ų | 88 | 81 Ų | 81 | 91% | 0.907 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -17.5 | 160.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | I74 | I74-G76 PolarHBondContact O-N 2.81Š|
| 77 | A | 46 | Very low | 49.2 | Very low | 87 Ų | 87 | 85 Ų | 85 | 72% | 0.719 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.3 | -20.2 | -165.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | I74 A75 | I74-A77 PolarHBondContact O-N 2.87Å; A75-A77 VanDerWaalsContact C-N 3.26Å |
| 78 | A | 42.6 | Very low | 48.2 | Very low | 47 Ų | 47 | 86 Ų | 86 | 39% | 0.388 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -154.7 | 96 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | A64 S80 | A64-A78 HydrophobicContact CB-CB 3.77Å; A78-S80 PolarHBondContact O-N 3.22Å |
| 79 | G | 36.7 | Very low | 46.9 | Very low | 83 Ų | 83 | 89.7 Ų | 89.7 | 86% | 0.856 | 65% | 0.653 | S | S | * | * | trans | 50.2 | 57.9 | 137.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | G81 | G79-G81 VanDerWaalsContact C-N 3.31Å; G79-G81 PolarHBondContact O-N 3.41Å | ||
| 80 | S | 44.7 | Very low | 45.8 | Very low | 96 Ų | 96 | 93 Ų | 93 | 67% | 0.671 | 68% | 0.679 | S | S | * | * | trans | -70.6 | 93.4 | 155.7 | -74.2 | 0 | 0 | 0 | 0 | 108.6 | A78 R82 | A78-S80 PolarHBondContact O-N 3.22Å; S80-R82 PolarHBondContact O-N 3.05Å | ||
| 81 | G | 37 | Very low | 45 | Very low | 67 Ų | 67 | 96.3 Ų | 96.3 | 69% | 0.691 | 71% | 0.709 | S | S | * | * | trans | -56.9 | 106 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | G79 | G79-G81 VanDerWaalsContact C-N 3.31Å; G79-G81 PolarHBondContact O-N 3.41Å | ||
| 82 | R | 42.9 | Very low | 44.4 | Very low | 253 Ų | 253 | 96.9 Ų | 96.9 | 96% | 0.955 | 72% | 0.721 | S | S | * | * | S | Bend | trans | 159.2 | 90.5 | 150.5 | -83.1 | 149.3 | -171 | -101.8 | -0.1 | 109.5 | S80 | S80-R82 PolarHBondContact O-N 3.05Š|
| 83 | G | 33.8 | Very low | 44.5 | Very low | 81 Ų | 81 | 99.7 Ų | 99.7 | 84% | 0.835 | 73% | 0.726 | S | S | * | * | trans | 125.7 | 111.9 | 154.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 84 | G | 37.9 | Very low | 44.3 | Very low | 88 Ų | 88 | 97.9 Ų | 97.9 | 91% | 0.907 | 74% | 0.735 | S | S | * | * | trans | 70.1 | 125.1 | 160.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 85 | G | 36.5 | Very low | 44.2 | Very low | 64 Ų | 64 | 99.1 Ų | 99.1 | 66% | 0.66 | 75% | 0.754 | S | S | * | * | cis | 139.8 | 119.8 | 19.3 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 86 | S | 46.9 | Very low | 44.5 | Very low | 121 Ų | 121 | 102.8 Ų | 102.8 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | trans | 59.6 | 140.4 | 165.9 | 49.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 87 | S | 47.6 | Very low | 44.9 | Very low | 101 Ų | 101 | 102.6 Ų | 102.6 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | cis | 178.4 | 131.1 | -10.7 | 41 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 88 | S | 46.4 | Very low | 45 | Very low | 108 Ų | 108 | 104.1 Ų | 104.1 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | trans | 39.7 | 125.2 | 148.3 | 60.2 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 89 | S | 50.2 | Low | 45.6 | Very low | 104 Ų | 104 | 105.9 Ų | 105.9 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | 153.9 | 140.2 | 95 | 52.5 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 90 | S | 50.5 | Low | 46.3 | Very low | 108 Ų | 108 | 113.2 Ų | 113.2 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | trans | 59.6 | 126.7 | 153.4 | 54.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 91 | S | 53.4 | Low | 46.2 | Very low | 121 Ų | 121 | 112.5 Ų | 112.5 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | cis | 180 | 152.9 | 45 | 33.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 92 | A | 46.9 | Very low | 47 | Very low | 95 Ų | 95 | 114 Ų | 114 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | -128.7 | -173.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 93 | P | 53.3 | Low | 47.2 | Very low | 127 Ų | 127 | 107.1 Ų | 107.1 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | cis | -129.4 | 170.2 | -43 | 33.4 | -16.1 | 0 | 0 | 0 | 112.3 | ||||
| 94 | A | 45.4 | Very low | 47.8 | Very low | 102 Ų | 102 | 106.3 Ų | 106.3 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | trans | 168 | 144.7 | 158.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 95 | A | 47.4 | Very low | 48.4 | Very low | 86 Ų | 86 | 113.9 Ų | 113.9 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | cis | -169 | 161 | 9.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 96 | T | 49.1 | Very low | 48.4 | Very low | 132 Ų | 132 | 114.4 Ų | 114.4 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | 57.5 | 107.3 | 138.3 | -158.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 97 | A | 46.9 | Very low | 48.4 | Very low | 83 Ų | 83 | 120.9 Ų | 120.9 | 69% | 0.686 | 79% | 0.792 | S | S | * | * | 92.1 | 138.6 | 69.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 98 | S | 47.9 | Very low | 48.1 | Very low | 119 Ų | 119 | 121.4 Ų | 121.4 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | 85.1 | 137.7 | 158.6 | -51.3 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 99 | S | 55.2 | Low | 47.7 | Very low | 85 Ų | 85 | 119.9 Ų | 119.9 | 59% | 0.594 | 80% | 0.804 | S | S | * | * | cis | 180 | 154 | 6 | 48.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 100 | R | 51.6 | Low | 47.3 | Very low | 237 Ų | 237 | 121.9 Ų | 121.9 | 89% | 0.894 | 81% | 0.806 | S | S | * | * | trans | 80.4 | 111.1 | 142.9 | -68 | 151.5 | -169.8 | -175.9 | 3.8 | 121.8 | ||||
| 101 | G | 43.9 | Very low | 46.7 | Very low | 80 Ų | 80 | 124 Ų | 124 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | 95.2 | 155.4 | 121.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 102 | A | 53 | Low | 46 | Very low | 98 Ų | 98 | 121.4 Ų | 121.4 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | cis | -171.7 | 147.2 | -14.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 103 | A | 47.6 | Very low | 45.6 | Very low | 109 Ų | 109 | 126 Ų | 126 | 90% | 0.901 | 81% | 0.807 | S | S | * | * | trans | 74 | 122.1 | 149.7 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 104 | G | 45.6 | Very low | 45 | Very low | 64 Ų | 64 | 128.1 Ų | 128.1 | 66% | 0.66 | 80% | 0.803 | S | S | * | * | 144 | 97.9 | 121.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 105 | R | 50.5 | Low | 44.7 | Very low | 248 Ų | 248 | 129.6 Ų | 129.6 | 94% | 0.936 | 80% | 0.795 | S | S | * | * | trans | 70.5 | 92 | 132.5 | -54.4 | 173 | -146.4 | -120.4 | 2.6 | 120.4 | ||||
| 106 | G | 38 | Very low | 43.9 | Very low | 74 Ų | 74 | 132.6 Ų | 132.6 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | 54.9 | 125.9 | 115.8 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 107 | R | 45.2 | Very low | 43.4 | Very low | 258 Ų | 258 | 132.8 Ų | 132.8 | 97% | 0.974 | 79% | 0.79 | S | S | * | * | -177.1 | 143.1 | 111 | -100.4 | -179.4 | 179.6 | -145.4 | 0.2 | 111.3 | |||||
| 108 | A | 41.1 | Very low | 42.8 | Very low | 111 Ų | 111 | 136.8 Ų | 136.8 | 92% | 0.917 | 80% | 0.795 | S | S | * | * | trans | -71.8 | 148.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 109 | G | 39.8 | Very low | 42.2 | Very low | 76 Ų | 76 | 141 Ų | 141 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | trans | -171.1 | 110.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 110 | D | 41 | Very low | 41.5 | Very low | 147 Ų | 147 | 144.1 Ų | 144.1 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | trans | -59.6 | 173 | 173.9 | -169.3 | -148.3 | 0 | 0 | 0 | 111.2 | ||||
| 111 | D | 38 | Very low | 40.8 | Very low | 151 Ų | 151 | 137 Ų | 137 | 81% | 0.807 | 78% | 0.783 | S | S | * | * | trans | 96.1 | 77.6 | 172.3 | -51.3 | -74.2 | 0 | 0 | 0 | 117.4 | ||||
| 112 | G | 38.3 | Very low | 40.8 | Very low | 67 Ų | 67 | 139.2 Ų | 139.2 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | trans | 123.7 | 102.6 | 147.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | K114 | G112-K114 PolarHBondContact O-N 3.3Š| ||
| 113 | E | 39.8 | Very low | 40.4 | Very low | 192 Ų | 192 | 141.7 Ų | 141.7 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | trans | -58.7 | 77.4 | 160.1 | -77.9 | 170.6 | 93.1 | 0 | 0 | 109.6 | I115 | E113-I115 PolarHBondContact O-N 3.29Š| ||
| 114 | K | 40.1 | Very low | 40.3 | Very low | 172 Ų | 172 | 141.7 Ų | 141.7 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | trans | -69.2 | 114.8 | 149.3 | -81.2 | 177.5 | -177.8 | 168.4 | 0 | 104.8 | G112 E116 | G112-K114 PolarHBondContact O-N 3.3Å; K114-E116 HydrophobicContact CB-CG 4.26Å; K114-E116 PolarHBondContact O-N 3.02Å | ||
| 115 | I | 39.5 | Very low | 40.1 | Very low | 132 Ų | 132 | 145.7 Ų | 145.7 | 68% | 0.677 | 76% | 0.762 | S | S | * | * | trans | -67.2 | 85.4 | 153.5 | -42.6 | 167 | 0 | 0 | 0 | 103.3 | E113 L117 | E113-I115 PolarHBondContact O-N 3.29Å; I115-L117 PolarHBondContact O-N 3.24Å | ||
| 116 | E | 31 | Very low | 39.9 | Very low | 149 Ų | 149 | 140.9 Ų | 140.9 | 70% | 0.696 | 75% | 0.75 | S | S | * | * | trans | -56.8 | 103.4 | 159.1 | -72.3 | -172 | 163.1 | 0 | 0 | 104.1 | K114 E118 | K114-E116 HydrophobicContact CB-CG 4.26Å; K114-E116 PolarHBondContact O-N 3.02Å; E116-E118 PolarHBondContact O-N 3.33Å | ||
| 117 | L | 37.6 | Very low | 40.1 | Very low | 136 Ų | 136 | 143.6 Ų | 143.6 | 71% | 0.712 | 75% | 0.748 | S | S | * | * | trans | -54.9 | 98.7 | 150.5 | -74.1 | 155.5 | 0 | 0 | 0 | 103.3 | I115 Y119 | I115-L117 PolarHBondContact O-N 3.24Å; L117-Y119 PolarHBondContact O-N 3.04Å | ||
| 118 | E | 33.6 | Very low | 40 | Very low | 168 Ų | 168 | 138.3 Ų | 138.3 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | trans | -41.9 | 118.2 | 167.9 | -75.9 | -177.5 | 163.7 | 0 | 0 | 105.5 | E116 L120 | E116-E118 PolarHBondContact O-N 3.33Å; E118-L120 PolarHBondContact O-N 2.97Å | ||
| 119 | Y | 35.9 | Very low | 40.1 | Very low | 206 Ų | 206 | 140.4 Ų | 140.4 | 81% | 0.808 | 73% | 0.733 | S | S | * | * | trans | -52.4 | 91.1 | 165.9 | -74.2 | -107.7 | 0 | 0 | 0 | 105.6 | L117 D121 | L117-Y119 PolarHBondContact O-N 3.04Å; Y119-D121 PolarHBondContact O-N 2.95Å | ||
| 120 | L | 41.1 | Very low | 40.4 | Very low | 152 Ų | 152 | 143.3 Ų | 143.3 | 80% | 0.796 | 73% | 0.73 | S | S | * | * | trans | -68.7 | 92.3 | 165.1 | -92.2 | 163.3 | 0 | 0 | 0 | 105 | E118 | E118-L120 PolarHBondContact O-N 2.97Š| ||
| 121 | D | 35.5 | Very low | 40.9 | Very low | 87 Ų | 87 | 143 Ų | 143 | 47% | 0.465 | 73% | 0.728 | S | S | . | * | trans | 42.2 | 117.4 | 165.2 | -89.3 | -87.4 | 0 | 0 | 0 | 115.8 | Y119 K123 V124 | Y119-D121 PolarHBondContact O-N 2.95Å; D121-K123 HydrophobicContact CB-CB 4.23Å; D121-K123 HydrophobicContact CB-CG 4.4Å; D121-K123 PolarHBondContact O-N 2.89Å; D121-K123 WeakPolarHBondContact OD1-CD 3.12Å; D121-K123 IonicContact OD1-NZ 3.55Å; D121-V124 PolarHBondContact O-N 2.94Å | ||
| 122 | D | 44 | Very low | 41.3 | Very low | 127 Ų | 127 | 139.4 Ų | 139.4 | 68% | 0.679 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.7 | 14 | 161.6 | -25.9 | -28.9 | 0 | 0 | 0 | 113.9 | ||
| 123 | K | 45.6 | Very low | 42.1 | Very low | 149 Ų | 149 | 145.5 Ų | 145.5 | 65% | 0.648 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.9 | -6.2 | -175.8 | -59.1 | -178.7 | -175.3 | 158.8 | 0 | 114.3 | D121 | D121-K123 HydrophobicContact CB-CB 4.23Å; D121-K123 HydrophobicContact CB-CG 4.4Å; D121-K123 PolarHBondContact O-N 2.89Å; D121-K123 WeakPolarHBondContact OD1-CD 3.12Å; D121-K123 IonicContact OD1-NZ 3.55Å |
| 124 | V | 46.3 | Very low | 42.6 | Very low | 109 Ų | 109 | 147.5 Ų | 147.5 | 66% | 0.661 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | -11.8 | 177.6 | -173 | 0 | 0 | 0 | 0 | 112.2 | D121 | D121-V124 PolarHBondContact O-N 2.94Š|
| 125 | L | 41 | Very low | 42.6 | Very low | 149 Ų | 149 | 143 Ų | 143 | 78% | 0.78 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -16.2 | 176 | -135.7 | 80.6 | 0 | 0 | 0 | 113.6 | ||
| 126 | E | 45 | Very low | 42.7 | Very low | 147 Ų | 147 | 148.7 Ų | 148.7 | 69% | 0.687 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -31.4 | 174.1 | -72.5 | -177 | 165.1 | 0 | 0 | 112.2 | L128 L129 | E126-L128 VanDerWaalsContact C-N 3.28Å; E126-L128 PolarHBondContact O-N 3.45Å; E126-L129 PolarHBondContact O-N 2.72Å |
| 127 | D | 42.7 | Very low | 43.5 | Very low | 131 Ų | 131 | 153.8 Ų | 153.8 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -10.2 | 178.2 | -106 | 20 | 0 | 0 | 0 | 114.3 | ||
| 128 | L | 43 | Very low | 43.8 | Very low | 147 Ų | 147 | 154.7 Ų | 154.7 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | 6 | 176.2 | -146.3 | 74.6 | 0 | 0 | 0 | 113.1 | E126 | E126-L128 VanDerWaalsContact C-N 3.28Å; E126-L128 PolarHBondContact O-N 3.45Å |
| 129 | L | 43.9 | Very low | 44.3 | Very low | 154 Ų | 154 | 153.9 Ų | 153.9 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -116.2 | 4.2 | 177.9 | -122.1 | 89.8 | 0 | 0 | 0 | 114.2 | E126 | E126-L129 PolarHBondContact O-N 2.72Š|
| 130 | D | 46.4 | Very low | 44.8 | Very low | 138 Ų | 138 | 151.1 Ų | 151.1 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | trans | -111.3 | -2.8 | -173.4 | -125.6 | -80.6 | 0 | 0 | 0 | 116.1 | G132 | D130-G132 PolarHBondContact O-N 2.95Š| ||
| 131 | D | 50 | Low | 45 | Very low | 139 Ų | 139 | 151 Ų | 151 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | trans | -87.3 | 78.4 | 175.7 | -35.3 | -48.4 | 0 | 0 | 0 | 111.7 | K133 | D131-K133 PolarHBondContact O-N 3.21Š| ||
| 132 | G | 47.8 | Very low | 45.6 | Very low | 77 Ų | 77 | 155 Ų | 155 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | -51.5 | 104.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D130 | D130-G132 PolarHBondContact O-N 2.95Š| ||
| 133 | K | 55 | Low | 45.7 | Very low | 194 Ų | 194 | 156.9 Ų | 156.9 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | -153.9 | 28 | 169 | -118.4 | 170.7 | -166.2 | 154.9 | 0 | 115.9 | D131 | D131-K133 PolarHBondContact O-N 3.21Š| ||
| 134 | Y | 49.2 | Very low | 45.7 | Very low | 235 Ų | 235 | 157.4 Ų | 157.4 | 92% | 0.922 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -120.4 | 93.2 | 168.7 | -70.9 | -81.1 | 0 | 0 | 0 | 111.7 | ||
| 135 | G | 40.4 | Very low | 45.7 | Very low | 78 Ų | 78 | 161.2 Ų | 161.2 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | 34.3 | 111.2 | 151.5 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 136 | R | 42.2 | Very low | 46 | Very low | 250 Ų | 250 | 162.2 Ų | 162.2 | 94% | 0.943 | 83% | 0.828 | S | S | * | * | -159.2 | 112.7 | 128.4 | -136.8 | -154.6 | -66.3 | 174.9 | -0.9 | 110.5 | |||||
| 137 | H | 47.1 | Very low | 46.1 | Very low | 256 Ų | 256 | 163.5 Ų | 163.5 | 100% | 1.185 | 84% | 0.841 | S | S | * | * | trans | -135 | 0 | 155.2 | -147.9 | -52.9 | 0 | 0 | 0 | 108.5 |
Retrieved 137 of 137 residues in 97.5 ms
(Link to these results)