| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.1 | Very low | 40.6 | Very low | 223 Ų | 223 | 152.2 Ų | 152.2 | 100% | 1.099 | 83% | 0.829 | S | S | * | * | 0 | 63.8 | 0 | -61.2 | -166.7 | -178.5 | 0 | 0 | 107.3 | |||||
| 2 | D | 36.4 | Very low | 40 | Very low | 158 Ų | 158 | 145.6 Ų | 145.6 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | 69.6 | 128.2 | 75.5 | -57.2 | -55.2 | 0 | 0 | 0 | 109.6 | |||||
| 3 | A | 35.7 | Very low | 40.2 | Very low | 96 Ų | 96 | 142.1 Ų | 142.1 | 79% | 0.793 | 81% | 0.812 | S | S | * | * | cis | -161.5 | 161.5 | 8.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 4 | L | 47.2 | Very low | 40.1 | Very low | 174 Ų | 174 | 145.4 Ų | 145.4 | 91% | 0.911 | 82% | 0.817 | S | S | * | * | trans | -54.7 | 144.3 | 161.8 | -67.1 | 155.8 | 0 | 0 | 0 | 111.2 | ||||
| 5 | N | 38.1 | Very low | 39.9 | Very low | 150 Ų | 150 | 142.8 Ų | 142.8 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | trans | -143.8 | 125.6 | 147.1 | -158.3 | -6.2 | 0 | 0 | 0 | 112.4 | ||||
| 6 | R | 47.2 | Very low | 40.3 | Very low | 199 Ų | 199 | 144.4 Ų | 144.4 | 75% | 0.751 | 81% | 0.805 | S | S | * | * | trans | -105.1 | 130 | 179.6 | 163.5 | -173.4 | 174.7 | 177.4 | -0.7 | 106 | ||||
| 7 | N | 38.8 | Very low | 40.4 | Very low | 155 Ų | 155 | 142.9 Ų | 142.9 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | trans | -141.6 | 114 | 151.9 | -91.9 | -38.5 | 0 | 0 | 0 | 110.4 | ||||
| 8 | Q | 47.3 | Very low | 40.6 | Very low | 148 Ų | 148 | 141.3 Ų | 141.3 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | trans | -87.7 | 172.2 | 160 | -78 | -168.1 | 36.9 | 0 | 0 | 109.5 | ||||
| 9 | I | 36.3 | Very low | 40.9 | Very low | 175 Ų | 175 | 139.6 Ų | 139.6 | 90% | 0.897 | 78% | 0.78 | S | S | * | * | trans | 101.1 | 120.7 | 165.7 | -52.1 | 156.4 | 0 | 0 | 0 | 111.7 | ||||
| 10 | G | 35.1 | Very low | 41.3 | Very low | 61 Ų | 61 | 139 Ų | 139 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | cis | -160.7 | -170.4 | 20.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | G12 | G10-G12 PolarHBondContact O-N 3.35Š| ||
| 11 | P | 46.8 | Very low | 41.4 | Very low | 135 Ų | 135 | 141.7 Ų | 141.7 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | trans | -84.1 | 99.3 | -167.6 | 32.7 | -29.1 | 0 | 0 | 0 | 110 | C13 | P11-C13 PolarHBondContact O-N 3.23Š| ||
| 12 | G | 33.3 | Very low | 42.4 | Very low | 73 Ų | 73 | 133.5 Ų | 133.5 | 75% | 0.753 | 75% | 0.748 | S | S | * | * | trans | -88.2 | 97.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | G10 | G10-G12 PolarHBondContact O-N 3.35Š| ||
| 13 | C | 43.4 | Very low | 43.7 | Very low | 100 Ų | 100 | 130.1 Ų | 130.1 | 68% | 0.676 | 73% | 0.734 | S | S | * | * | trans | 54.5 | 91.3 | 155.6 | -154.8 | 0 | 0 | 0 | 0 | 115.3 | P11 T15 | P11-C13 PolarHBondContact O-N 3.23Å; C13-T15 PolarHBondContact O-N 2.86Å | ||
| 14 | Q | 38 | Very low | 45.5 | Very low | 188 Ų | 188 | 128.9 Ų | 128.9 | 88% | 0.879 | 71% | 0.714 | S | S | * | * | trans | -60.3 | 95.1 | 146.7 | -72 | -177 | -0.9 | 0 | 0 | 105.8 | Q16 | Q14-Q16 PolarHBondContact O-N 3.19Š| ||
| 15 | T | 37.9 | Very low | 47 | Very low | 107 Ų | 107 | 123.9 Ų | 123.9 | 66% | 0.656 | 69% | 0.688 | S | S | * | * | trans | -55.5 | 98.3 | 159.9 | 35.1 | 0 | 0 | 0 | 0 | 105.1 | C13 T17 | C13-T15 PolarHBondContact O-N 2.86Å; T15-T17 PolarHBondContact O-N 3.14Å | ||
| 16 | Q | 45.5 | Very low | 49.1 | Very low | 169 Ų | 169 | 121 Ų | 121 | 79% | 0.79 | 67% | 0.672 | S | S | * | * | trans | -55.4 | 102 | 160.6 | -68.1 | 178.9 | 3.4 | 0 | 0 | 104 | Q14 M18 | Q14-Q16 PolarHBondContact O-N 3.19Å; Q16-M18 PolarHBondContact O-N 2.86Å | ||
| 17 | T | 42.4 | Very low | 50.8 | Low | 118 Ų | 118 | 114.3 Ų | 114.3 | 72% | 0.724 | 65% | 0.65 | S | S | * | * | trans | -69.1 | 80.6 | 176.9 | -4.4 | 0 | 0 | 0 | 0 | 106.2 | T15 V19 | T15-T17 PolarHBondContact O-N 3.14Å; T17-V19 VanDerWaalsContact C-N 3.28Å; T17-V19 PolarHBondContact O-N 2.95Å | ||
| 18 | M | 44.2 | Very low | 53 | Low | 115 Ų | 115 | 113.8 Ų | 113.8 | 57% | 0.567 | 64% | 0.643 | S | S | * | * | trans | -69.4 | 92.6 | 173.2 | -173.7 | 179 | 54.4 | 0 | 0 | 105.7 | Q16 Q20 | Q16-M18 PolarHBondContact O-N 2.86Å; M18-Q20 HydrophobicContact CE-CG 3.71Å; M18-Q20 HydrophobicContact CG-CG 3.59Å; M18-Q20 PolarHBondContact O-N 2.72Å; M18-Q20 HydrophobicContact SD-CG 3.75Å; M18-Q20 PolarHBondContact SD-NE2 2.84Å | ||
| 19 | V | 46.2 | Very low | 54.7 | Low | 108 Ų | 108 | 110.8 Ų | 110.8 | 66% | 0.655 | 64% | 0.635 | S | S | * | * | trans | -72.7 | 83.4 | 170.9 | -179.4 | 0 | 0 | 0 | 0 | 106.6 | T17 K21 | T17-V19 VanDerWaalsContact C-N 3.28Å; T17-V19 PolarHBondContact O-N 2.95Å; V19-K21 PolarHBondContact O-N 2.82Å; V19-K21 VanDerWaalsContact O-N 3.14Å | ||
| 20 | Q | 49.3 | Very low | 57 | Low | 128 Ų | 128 | 105.6 Ų | 105.6 | 60% | 0.598 | 63% | 0.625 | S | S | * | * | trans | -73.8 | 102.4 | 172.4 | -70.7 | -156 | -13.5 | 0 | 0 | 109.4 | M18 | M18-Q20 HydrophobicContact CE-CG 3.71Å; M18-Q20 HydrophobicContact CG-CG 3.59Å; M18-Q20 PolarHBondContact O-N 2.72Å; M18-Q20 HydrophobicContact SD-CG 3.75Å; M18-Q20 PolarHBondContact SD-NE2 2.84Å | ||
| 21 | K | 42.9 | Very low | 59.6 | Low | 196 Ų | 196 | 113.3 Ų | 113.3 | 85% | 0.852 | 64% | 0.641 | S | S | * | * | trans | -137.9 | 83.6 | 159.2 | -75.7 | -168.8 | 175.9 | -178.1 | 0 | 108.8 | V19 | V19-K21 PolarHBondContact O-N 2.82Å; V19-K21 VanDerWaalsContact O-N 3.14Å | ||
| 22 | G | 57.3 | Low | 61.4 | Low | 51 Ų | 51 | 108.2 Ų | 108.2 | 53% | 0.526 | 61% | 0.613 | S | S | . | * | S | Bend | trans | 111.1 | 178.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | L24 | G22-L24 PolarHBondContact O-N 2.81Š|
| 23 | P | 63.8 | Low | 64 | Low | 86 Ų | 86 | 110.5 Ų | 110.5 | 56% | 0.558 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -70.3 | 22.9 | -176.1 | 30.7 | -36.3 | 0 | 0 | 0 | 114.6 | ||
| 24 | L | 73.7 | Confident | 66 | Low | 71 Ų | 71 | 111 Ų | 111 | 37% | 0.372 | 60% | 0.598 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.5 | 121.6 | -177.2 | -54.2 | 177.3 | 0 | 0 | 0 | 108.2 | G22 V35 T37 | G22-L24 PolarHBondContact O-N 2.81Å; L24-V35 HydrophobicContact CB-CG1 4.38Å; L24-T37 HydrophobicContact CD2-CG2 3.22Å |
| 25 | D | 78.4 | Confident | 68.4 | Low | 68 Ų | 68 | 105.2 Ų | 105.2 | 36% | 0.364 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.3 | 115.4 | 172.8 | -72.1 | -31.7 | 0 | 0 | 0 | 109.2 | V35 Q36 | D25-V35 CarbonylContact O-C 3.56Å; D25-V35 WeakPolarHBondContact O-CA 3.47Å; D25-Q36 HydrophobicContact CB-CB 4.19Å; D25-Q36 PolarHBondContact N-O 2.94Å; D25-Q36 PolarHBondContact O-N 2.65Å |
| 26 | L | 82.3 | Confident | 70.6 | Confident | 91 Ų | 91 | 103.6 Ų | 103.6 | 48% | 0.476 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.5 | 120.1 | 172.2 | -170.6 | 70 | 0 | 0 | 0 | 109.3 | L33 V35 | L26-L33 HydrophobicContact CD1-CB 4.05Å; L26-L33 HydrophobicContact CD1-CD1 4.49Å; L26-L33 HydrophobicContact CD1-CD2 4.22Å; L26-L33 HydrophobicContact CD1-CG 4.49Å; L26-L33 HydrophobicContact CD2-CD2 4.22Å; L26-L33 HydrophobicContact CG-CD2 4.18Å; L26-V35 HydrophobicContact CD1-CG2 3.69Å |
| 27 | I | 83.9 | Confident | 72.6 | Confident | 57 Ų | 57 | 96.3 Ų | 96.3 | 29% | 0.292 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 117.6 | -179 | -55.9 | 168.2 | 0 | 0 | 0 | 108.3 | T29 K34 | I27-T29 HydrophobicContact CG2-CG2 4.29Å; I27-K34 HydrophobicContact CB-CB 4.28Å; I27-K34 PolarHBondContact N-O 2.8Å; I27-K34 PolarHBondContact O-N 2.84Å |
| 28 | E | 84.4 | Confident | 74.7 | Confident | 145 Ų | 145 | 95 Ų | 95 | 68% | 0.678 | 52% | 0.516 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 124.5 | 172.9 | -169.9 | 172.5 | -169.2 | 0 | 0 | 110.2 | L33 | E28-L33 HydrophobicContact CB-CD2 4.3Å; E28-L33 HydrophobicContact CG-CD2 4.38Å |
| 29 | T | 82.5 | Confident | 76.9 | Confident | 85 Ų | 85 | 93.4 Ų | 93.4 | 52% | 0.521 | 51% | 0.506 | S | S | . | . | trans | -113.6 | 48.9 | -178.8 | 64.7 | 0 | 0 | 0 | 0 | 111.1 | I27 K31 G32 K34 | I27-T29 HydrophobicContact CG2-CG2 4.29Å; T29-K31 PolarHBondContact O-N 2.89Å; T29-G32 PolarHBondContact N-O 2.65Å; T29-G32 PolarHBondContact OG1-O 2.92Å; T29-K34 HydrophobicContact CG2-CB 4.31Å | ||
| 30 | G | 85.9 | Confident | 79.2 | Confident | 66 Ų | 66 | 88.8 Ų | 88.8 | 68% | 0.68 | 48% | 0.479 | S | S | * | . | S | Bend | trans | 76.4 | -75.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 31 | K | 89 | Confident | 81.4 | Confident | 222 Ų | 222 | 83.4 Ų | 83.4 | 97% | 0.965 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -105.1 | 3.5 | 178.7 | -64.9 | -171.2 | -180 | -175.6 | 0 | 114 | T29 | T29-K31 PolarHBondContact O-N 2.89Š|
| 32 | G | 85.5 | Confident | 83.9 | Confident | 29 Ų | 29 | 74.1 Ų | 74.1 | 30% | 0.299 | 41% | 0.413 | S | S | . | . | trans | -139.9 | 163.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T29 | T29-G32 PolarHBondContact N-O 2.65Å; T29-G32 PolarHBondContact OG1-O 2.92Å | ||
| 33 | L | 87.6 | Confident | 85.6 | Confident | 120 Ų | 120 | 72.8 Ų | 72.8 | 63% | 0.628 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 125.6 | 174.2 | -68.7 | 175.1 | 0 | 0 | 0 | 108.6 | L26 E28 | L26-L33 HydrophobicContact CD1-CB 4.05Å; L26-L33 HydrophobicContact CD1-CD1 4.49Å; L26-L33 HydrophobicContact CD1-CD2 4.22Å; L26-L33 HydrophobicContact CD1-CG 4.49Å; L26-L33 HydrophobicContact CD2-CD2 4.22Å; L26-L33 HydrophobicContact CG-CD2 4.18Å; E28-L33 HydrophobicContact CB-CD2 4.3Å; E28-L33 HydrophobicContact CG-CD2 4.38Å |
| 34 | K | 86 | Confident | 87 | Confident | 110 Ų | 110 | 69 Ų | 69 | 48% | 0.478 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 122.5 | 171.4 | 176.2 | 178.8 | 172.4 | -171.7 | 0 | 108.1 | I27 T29 | I27-K34 HydrophobicContact CB-CB 4.28Å; I27-K34 PolarHBondContact N-O 2.8Å; I27-K34 PolarHBondContact O-N 2.84Å; T29-K34 HydrophobicContact CG2-CB 4.31Å |
| 35 | V | 87.7 | Confident | 87.5 | Confident | 68 Ų | 68 | 71.4 Ų | 71.4 | 41% | 0.412 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 131.2 | 168.9 | -169.1 | 0 | 0 | 0 | 0 | 108.7 | L24 D25 L26 T37 L56 | L24-V35 HydrophobicContact CB-CG1 4.38Å; D25-V35 CarbonylContact O-C 3.56Å; D25-V35 WeakPolarHBondContact O-CA 3.47Å; L26-V35 HydrophobicContact CD1-CG2 3.69Å; V35-T37 HydrophobicContact CG1-CG2 4.25Å; V35-L56 HydrophobicContact CB-CD1 3.87Å; V35-L56 HydrophobicContact CG1-CD1 3.34Å; V35-L56 HydrophobicContact CG2-CD1 4.16Å |
| 36 | Q | 84.9 | Confident | 87.5 | Confident | 72 Ų | 72 | 69.6 Ų | 69.6 | 34% | 0.336 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 134.5 | 176.2 | 179.9 | 166.4 | -8.9 | 0 | 0 | 109.4 | D25 | D25-Q36 HydrophobicContact CB-CB 4.19Å; D25-Q36 PolarHBondContact N-O 2.94Å; D25-Q36 PolarHBondContact O-N 2.65Å |
| 37 | T | 86.7 | Confident | 86.8 | Confident | 16 Ų | 16 | 68.4 Ų | 68.4 | 10% | 0.098 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 158.2 | 179.1 | 71.2 | 0 | 0 | 0 | 0 | 109 | L24 V35 K39 H41 P153 | L24-T37 HydrophobicContact CD2-CG2 3.22Å; V35-T37 HydrophobicContact CG1-CG2 4.25Å; T37-K39 PolarHBondContact OG1-O 2.91Å; T37-H41 PolarHBondContact OG1-CE1 3.11Å; T37-H41 PolarHBondContact OG1-ND1 3.34Å; T37-P153 VanDerWaalsContact O-CB 3.24Å; T37-P153 WeakPolarHBondContact O-CB 3.48Å; T37-P153 WeakPolarHBondContact O-CG 3.12Å |
| 38 | D | 86.5 | Confident | 85.9 | Confident | 91 Ų | 91 | 67.9 Ų | 67.9 | 49% | 0.487 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -97.9 | -34.2 | 173 | 61.2 | -18.8 | 0 | 0 | 0 | 111.8 | ||
| 39 | K | 91 | Very high | 85.3 | Confident | 81 Ų | 81 | 73.2 Ų | 73.2 | 35% | 0.352 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -83.9 | 151.4 | -178.4 | -67.3 | -172.9 | -176.5 | -175.8 | 0 | 114.2 | T37 H41 E60 P153 | T37-K39 PolarHBondContact OG1-O 2.91Å; K39-H41 PolarHBondContact O-ND1 3.12Å; K39-E60 WeakPolarHBondContact CD-OE1 3.27Å; K39-E60 IonicContact NZ-OE1 2.65Å; K39-E60 PolarHBondContact NZ-OE1 3.2Å; K39-E60 IonicContact NZ-OE2 3.48Å; K39-E60 PolarHBondContact NZ-OE2 3.29Å; K39-P153 WeakPolarHBondContact O-CD 3.22Å |
| 40 | P | 94.1 | Very high | 85 | Confident | 12 Ų | 12 | 77 Ų | 77 | 8% | 0.078 | 42% | 0.418 | C | S | . | . | trans | -58.5 | 140.8 | 169.8 | -20.2 | 32.3 | 0 | 0 | 0 | 111.7 | L59 L94 F150 N151 | P40-L59 HydrophobicContact CB-CB 4.44Å; P40-L59 PolarHBondContact O-N 3.44Å; P40-L94 HydrophobicContact CB-CD1 3.64Å; P40-L94 HydrophobicContact CB-CD2 3.89Å; P40-L94 HydrophobicContact CB-CG 4.44Å; P40-L94 HydrophobicContact CG-CD1 3.59Å; P40-F150 HydrophobicContact CB-CE2 4.1Å; P40-F150 HydrophobicContact CB-CZ 4.45Å; P40-N151 CarbonylContact C-O 3.3Å; P40-N151 VanDerWaalsContact CA-O 3.26Å; P40-N151 WeakPolarHBondContact CA-O 3.41Å | ||
| 41 | H | 95 | Very high | 84.7 | Confident | 15 Ų | 15 | 76.1 Ų | 76.1 | 7% | 0.069 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 158.7 | -177.7 | 58.4 | -81.7 | 0 | 0 | 0 | 111.4 | T37 K39 L57 N151 | T37-H41 PolarHBondContact OG1-CE1 3.11Å; T37-H41 PolarHBondContact OG1-ND1 3.34Å; K39-H41 PolarHBondContact O-ND1 3.12Å; H41-L57 CarbonylContact C-O 3.44Å; H41-L57 VanDerWaalsContact CA-O 3.27Å; H41-L57 WeakPolarHBondContact CA-O 3.47Å; H41-L57 WeakPolarHBondContact CB-O 3.43Å; H41-N151 VanDerWaalsContact CE1-CB 3.44Å; H41-N151 WeakPolarHBondContact CE1-CB 3.46Å; H41-N151 PolarHBondContact N-O 3.48Å; H41-N151 WeakPolarHBondContact NE2-CB 3.45Å; H41-N151 PolarHBondContact NE2-ND2 2.84Å; H41-N151 VanDerWaalsContact NE2-ND2 3.17Å; H41-N151 PolarHBondContact O-N 2.84Å |
| 42 | L | 95.5 | Very high | 84.5 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 145.1 | 165 | -52.4 | 174 | 0 | 0 | 0 | 109.6 | L56 L57 L59 I66 I73 I87 L140 L148 R149 F150 | L42-L56 WeakPolarHBondContact O-CA 3.41Å; L42-L57 HydrophobicContact CB-CB 4.14Å; L42-L57 HydrophobicContact CB-CD1 4.33Å; L42-L57 PolarHBondContact N-O 2.96Å; L42-L57 PolarHBondContact O-N 3.43Å; L42-L59 HydrophobicContact CD1-CD2 4.31Å; L42-L59 HydrophobicContact CD2-CD1 4.02Å; L42-L59 HydrophobicContact CG-CD1 3.96Å; L42-L59 HydrophobicContact CG-CD2 4.28Å; L42-L59 HydrophobicContact CG-CG 4.3Å; L42-I66 HydrophobicContact CD1-CD1 3.87Å; L42-I73 HydrophobicContact CD1-CD1 4.2Å; L42-I87 HydrophobicContact CD1-CD1 4.04Å; L42-I87 HydrophobicContact CD2-CD1 4.19Å; L42-L140 HydrophobicContact CD2-CD1 3.8Å; L42-L148 HydrophobicContact CB-CB 4.44Å; L42-L148 HydrophobicContact CD1-CD1 3.84Å; L42-R149 CarbonylContact C-O 3.57Å; L42-R149 VanDerWaalsContact CA-O 3.32Å; L42-R149 WeakPolarHBondContact CA-O 3.28Å; L42-F150 HydrophobicContact CD2-CB 4.09Å; L42-F150 HydrophobicContact CD2-CD2 4.05Å |
| 43 | V | 94.2 | Very high | 84.6 | Confident | 23 Ų | 23 | 73.6 Ų | 73.6 | 14% | 0.139 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 122.1 | 169.3 | -168.5 | 0 | 0 | 0 | 0 | 107.8 | I54 T55 L56 L148 R149 | V43-I54 HydrophobicContact CG1-CG2 3.69Å; V43-T55 WeakPolarHBondContact CA-O 3.29Å; V43-L56 HydrophobicContact CB-CD2 4.35Å; V43-L56 HydrophobicContact CG1-CD2 4.16Å; V43-L56 HydrophobicContact CG2-CD2 3.76Å; V43-L148 WeakPolarHBondContact O-CA 3.37Å; V43-R149 HydrophobicContact CB-CB 4.15Å; V43-R149 HydrophobicContact CG2-CB 4.5Å; V43-R149 PolarHBondContact N-O 3.06Å; V43-R149 PolarHBondContact O-N 2.95Å |
| 44 | S | 91.8 | Very high | 84.7 | Confident | 8 Ų | 8 | 73.7 Ų | 73.7 | 6% | 0.056 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 134.5 | 171.5 | -172.9 | 0 | 0 | 0 | 0 | 109.8 | G46 I54 T55 | S44-G46 PolarHBondContact OG-N 3.04Å; S44-I54 WeakPolarHBondContact O-CA 3.43Å; S44-T55 PolarHBondContact N-O 3.24Å; S44-T55 PolarHBondContact O-N 2.8Å |
| 45 | L | 85.6 | Confident | 84.9 | Confident | 120 Ų | 120 | 71.5 Ų | 71.5 | 63% | 0.628 | 40% | 0.401 | S | S | * | . | trans | -88.7 | 7.2 | 167.3 | -55.7 | 179.3 | 0 | 0 | 0 | 111.5 | S51 A53 I54 | L45-S51 WeakPolarHBondContact O-CB 3.21Å; L45-S51 PolarHBondContact O-OG 2.89Å; L45-A53 CarbonylContact C-O 3.47Å; L45-I54 HydrophobicContact CD2-CD1 4.16Å; L45-I54 HydrophobicContact CD2-CG1 3.85Å; L45-I54 HydrophobicContact CD2-CG2 4.33Å | ||
| 46 | G | 77.4 | Confident | 85.2 | Confident | 30 Ų | 30 | 70.3 Ų | 70.3 | 31% | 0.309 | 39% | 0.392 | S | S | . | . | trans | 86 | 172.5 | -174 | 0 | 0 | 0 | 0 | 0 | 114.3 | S44 G48 S51 | S44-G46 PolarHBondContact OG-N 3.04Å; G46-G48 VanDerWaalsContact C-N 3.34Å; G46-G48 PolarHBondContact O-N 2.79Å; G46-S51 WeakPolarHBondContact CA-OG 3.44Å | ||
| 47 | S | 66.6 | Low | 85.6 | Confident | 67 Ų | 67 | 68.4 Ų | 68.4 | 47% | 0.469 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -86.2 | 10.8 | -166.1 | 47.9 | 0 | 0 | 0 | 0 | 115.4 | Q76 | S47-Q76 WeakPolarHBondContact CB-O 3.48Š|
| 48 | G | 66.1 | Low | 86 | Confident | 46 Ų | 46 | 70.7 Ų | 70.7 | 47% | 0.474 | 40% | 0.399 | S | S | . | . | S | Bend | trans | 178.9 | 177.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | G46 L50 S51 | G46-G48 VanDerWaalsContact C-N 3.34Å; G46-G48 PolarHBondContact O-N 2.79Å; G48-L50 PolarHBondContact O-N 2.94Å; G48-L50 VanDerWaalsContact O-N 3.09Å; G48-S51 WeakPolarHBondContact O-CB 3.31Å; G48-S51 PolarHBondContact O-N 2.82Å |
| 49 | R | 71.1 | Confident | 86.4 | Confident | 257 Ų | 257 | 66.4 Ų | 66.4 | 97% | 0.97 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -21.4 | -176.7 | -64.5 | 178.5 | -178.9 | -108.3 | 0.5 | 114.4 | ||
| 50 | L | 76.9 | Confident | 86.6 | Confident | 164 Ų | 164 | 66.8 Ų | 66.8 | 86% | 0.859 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -10.2 | -178.7 | -57.5 | 179.2 | 0 | 0 | 0 | 112.8 | G48 T52 | G48-L50 PolarHBondContact O-N 2.94Å; G48-L50 VanDerWaalsContact O-N 3.09Å; L50-T52 PolarHBondContact O-N 3.35Å |
| 51 | S | 80.6 | Confident | 86.7 | Confident | 47 Ų | 47 | 72.8 Ų | 72.8 | 33% | 0.329 | 41% | 0.406 | S | S | . | . | trans | -71.2 | 123.8 | 175.6 | -177.4 | 0 | 0 | 0 | 0 | 109.7 | L45 G46 G48 | L45-S51 WeakPolarHBondContact O-CB 3.21Å; L45-S51 PolarHBondContact O-OG 2.89Å; G46-S51 WeakPolarHBondContact CA-OG 3.44Å; G48-S51 WeakPolarHBondContact O-CB 3.31Å; G48-S51 PolarHBondContact O-N 2.82Å | ||
| 52 | T | 84 | Confident | 86.9 | Confident | 145 Ų | 145 | 73.4 Ų | 73.4 | 89% | 0.89 | 42% | 0.416 | S | S | * | . | trans | -106.3 | -9.1 | 175.8 | 55.1 | 0 | 0 | 0 | 0 | 112.2 | L50 | L50-T52 PolarHBondContact O-N 3.35Š| ||
| 53 | A | 86.8 | Confident | 87 | Confident | 54 Ų | 54 | 79.8 Ų | 79.8 | 45% | 0.446 | 44% | 0.44 | S | S | . | . | trans | -93.6 | 144.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L45 | L45-A53 CarbonylContact C-O 3.47Š| ||
| 54 | I | 90 | Very high | 87.2 | Confident | 121 Ų | 121 | 79.4 Ų | 79.4 | 62% | 0.621 | 44% | 0.438 | S | S | * | . | trans | -102 | 126 | 166.6 | -57.4 | 179.7 | 0 | 0 | 0 | 107.4 | V43 S44 L45 | V43-I54 HydrophobicContact CG1-CG2 3.69Å; S44-I54 WeakPolarHBondContact O-CA 3.43Å; L45-I54 HydrophobicContact CD2-CD1 4.16Å; L45-I54 HydrophobicContact CD2-CG1 3.85Å; L45-I54 HydrophobicContact CD2-CG2 4.33Å | ||
| 55 | T | 90.9 | Very high | 87.5 | Confident | 64 Ų | 64 | 80.1 Ų | 80.1 | 39% | 0.393 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 130.2 | 179.8 | -52.7 | 0 | 0 | 0 | 0 | 110.1 | V43 S44 L57 | V43-T55 WeakPolarHBondContact CA-O 3.29Å; S44-T55 PolarHBondContact N-O 3.24Å; S44-T55 PolarHBondContact O-N 2.8Å; T55-L57 HydrophobicContact CG2-CD2 3.78Å; T55-L57 HydrophobicContact CG2-CG 4.1Å |
| 56 | L | 92.6 | Very high | 88.1 | Confident | 44 Ų | 44 | 74.4 Ų | 74.4 | 23% | 0.23 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 125.5 | 170 | -62.5 | 171.7 | 0 | 0 | 0 | 108.5 | V35 L42 V43 | V35-L56 HydrophobicContact CB-CD1 3.87Å; V35-L56 HydrophobicContact CG1-CD1 3.34Å; V35-L56 HydrophobicContact CG2-CD1 4.16Å; L42-L56 WeakPolarHBondContact O-CA 3.41Å; V43-L56 HydrophobicContact CB-CD2 4.35Å; V43-L56 HydrophobicContact CG1-CD2 4.16Å; V43-L56 HydrophobicContact CG2-CD2 3.76Å |
| 57 | L | 94.3 | Very high | 89 | Confident | 31 Ų | 31 | 73 Ų | 73 | 16% | 0.162 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 98.8 | -176.4 | -59.4 | 163.1 | 0 | 0 | 0 | 107.9 | H41 L42 T55 I73 L75 L148 | H41-L57 CarbonylContact C-O 3.44Å; H41-L57 VanDerWaalsContact CA-O 3.27Å; H41-L57 WeakPolarHBondContact CA-O 3.47Å; H41-L57 WeakPolarHBondContact CB-O 3.43Å; L42-L57 HydrophobicContact CB-CB 4.14Å; L42-L57 HydrophobicContact CB-CD1 4.33Å; L42-L57 PolarHBondContact N-O 2.96Å; L42-L57 PolarHBondContact O-N 3.43Å; T55-L57 HydrophobicContact CG2-CD2 3.78Å; T55-L57 HydrophobicContact CG2-CG 4.1Å; L57-I73 HydrophobicContact CB-CD1 3.99Å; L57-I73 HydrophobicContact CD1-CD1 4.37Å; L57-I73 HydrophobicContact CD1-CG2 3.77Å; L57-I73 HydrophobicContact CD2-CG2 4.35Å; L57-L75 HydrophobicContact CD1-CD2 4.49Å; L57-L148 HydrophobicContact CD1-CD2 4.42Å |
| 58 | P | 94.3 | Very high | 90.4 | Very high | 65 Ų | 65 | 72.2 Ų | 72.2 | 42% | 0.422 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 143.6 | 179.8 | -22.3 | 33.6 | 0 | 0 | 0 | 112 | ||
| 59 | L | 96.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 73.6 Ų | 73.6 | 1% | 0.005 | 40% | 0.399 | C | S | . | . | trans | -111.4 | 87.2 | 174.1 | -63.6 | 172.1 | 0 | 0 | 0 | 108.9 | P40 L42 T64 I73 I87 N89 L94 F150 | P40-L59 HydrophobicContact CB-CB 4.44Å; P40-L59 PolarHBondContact O-N 3.44Å; L42-L59 HydrophobicContact CD1-CD2 4.31Å; L42-L59 HydrophobicContact CD2-CD1 4.02Å; L42-L59 HydrophobicContact CG-CD1 3.96Å; L42-L59 HydrophobicContact CG-CD2 4.28Å; L42-L59 HydrophobicContact CG-CG 4.3Å; L59-T64 HydrophobicContact CD2-CG2 4.08Å; L59-I73 HydrophobicContact CD2-CD1 4.37Å; L59-I87 HydrophobicContact CD1-CD1 4.14Å; L59-I87 HydrophobicContact CD1-CG2 4.35Å; L59-I87 HydrophobicContact CD2-CB 4.48Å; L59-I87 HydrophobicContact CD2-CD1 4.22Å; L59-N89 PolarHBondContact O-ND2 3.02Å; L59-L94 HydrophobicContact CB-CD2 3.67Å; L59-L94 HydrophobicContact CD1-CD2 3.46Å; L59-L94 VanDerWaalsContact CD1-CD2 3.46Å; L59-L94 HydrophobicContact CG-CD2 4.19Å; L59-F150 HydrophobicContact CD1-CD2 4.02Å; L59-F150 HydrophobicContact CD1-CE2 3.92Å | ||
| 60 | E | 94.9 | Very high | 92.9 | Very high | 88 Ų | 88 | 61.8 Ų | 61.8 | 41% | 0.411 | 36% | 0.357 | S | S | . | . | trans | -69.4 | 166.8 | 178.2 | -64.1 | -62.5 | 161.2 | 0 | 0 | 111.9 | K39 N89 | K39-E60 WeakPolarHBondContact CD-OE1 3.27Å; K39-E60 IonicContact NZ-OE1 2.65Å; K39-E60 PolarHBondContact NZ-OE1 3.2Å; K39-E60 IonicContact NZ-OE2 3.48Å; K39-E60 PolarHBondContact NZ-OE2 3.29Å; E60-N89 VanDerWaalsContact O-CB 3.29Å; E60-N89 WeakPolarHBondContact O-CB 3.44Å; E60-N89 PolarHBondContact O-ND2 3.48Å | ||
| 61 | E | 96.4 | Very high | 93.6 | Very high | 139 Ų | 139 | 65.3 Ų | 65.3 | 65% | 0.65 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -61.8 | 139.9 | 177.2 | -173.3 | 164.8 | -156.1 | 0 | 0 | 111.4 | ||
| 62 | G | 97.8 | Very high | 94.4 | Very high | 27 Ų | 27 | 66.9 Ų | 66.9 | 28% | 0.278 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 102.5 | -150.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E88 N89 | G62-E88 CarbonylContact O-C 3.17Å; G62-E88 WeakPolarHBondContact O-CA 3.43Å; G62-N89 PolarHBondContact N-O 2.8Å; G62-N89 PolarHBondContact O-N 2.91Å |
| 63 | R | 98 | Very high | 94.9 | Very high | 134 Ų | 134 | 60.5 Ų | 60.5 | 51% | 0.506 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 129.1 | -172.2 | -176.6 | 175.8 | -177.6 | -154.2 | -4.8 | 110.8 | V65 Y86 | R63-V65 HydrophobicContact CG-CG2 4.4Å; R63-Y86 HydrophobicContact CG-CD2 3.71Å; R63-Y86 HydrophobicContact CG-CE2 4.45Å; R63-Y86 HydrophobicContact CG-CG 4.1Å; R63-Y86 VanDerWaalsContact NE-CD2 3.32Å |
| 64 | T | 98.4 | Very high | 95.3 | Very high | 16 Ų | 16 | 61.6 Ų | 61.6 | 10% | 0.098 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 114.7 | 172.6 | -56.7 | 0 | 0 | 0 | 0 | 109.6 | L59 D72 I73 Y86 I87 | L59-T64 HydrophobicContact CD2-CG2 4.08Å; T64-D72 HydrophobicContact CG2-CB 3.92Å; T64-I73 HydrophobicContact CG2-CD1 3.55Å; T64-I73 HydrophobicContact CG2-CG1 3.8Å; T64-Y86 CarbonylContact O-C 3.52Å; T64-Y86 WeakPolarHBondContact O-CA 3.49Å; T64-Y86 VanDerWaalsContact O-CB 3.3Å; T64-Y86 WeakPolarHBondContact O-CB 3.47Å; T64-I87 PolarHBondContact N-O 2.92Å; T64-I87 PolarHBondContact O-N 3.34Å |
| 65 | V | 98.4 | Very high | 95.4 | Very high | 22 Ų | 22 | 56.7 Ų | 56.7 | 13% | 0.133 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 133.7 | 179.1 | -174.6 | 0 | 0 | 0 | 0 | 110.6 | R63 A70 D72 I73 E83 | R63-V65 HydrophobicContact CG-CG2 4.4Å; V65-A70 HydrophobicContact CB-CB 4.48Å; V65-A70 HydrophobicContact CG1-CB 3.98Å; V65-D72 PolarHBondContact N-OD2 3.48Å; V65-I73 PolarHBondContact O-N 3.02Å; V65-I73 VanDerWaalsContact O-N 3.07Å; V65-E83 HydrophobicContact CG1-CB 4.37Å; V65-E83 HydrophobicContact CG1-CG 4.11Å |
| 66 | I | 97.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 134.9 | -176.3 | -48.1 | 178.2 | 0 | 0 | 0 | 109.5 | L42 I73 L75 H84 C85 I87 L142 | L42-I66 HydrophobicContact CD1-CD1 3.87Å; I66-I73 WeakPolarHBondContact CA-O 3.26Å; I66-I73 HydrophobicContact CD1-CD1 4.44Å; I66-I73 HydrophobicContact CG1-CB 4.18Å; I66-I73 HydrophobicContact CG1-CD1 4.31Å; I66-I73 HydrophobicContact CG2-CB 4.34Å; I66-I73 HydrophobicContact CG2-CG2 4.21Å; I66-L75 HydrophobicContact CG2-CD1 3.73Å; I66-L75 HydrophobicContact CG2-CG 4.35Å; I66-H84 WeakPolarHBondContact O-CA 3.33Å; I66-H84 WeakPolarHBondContact O-CB 3.45Å; I66-H84 PolarHBondContact O-N 3.29Å; I66-C85 PolarHBondContact N-O 2.84Å; I66-C85 PolarHBondContact O-N 2.82Å; I66-C85 VanDerWaalsContact O-N 3.15Å; I66-C85 VanDerWaalsContact O-O 3.14Å; I66-I87 HydrophobicContact CD1-CD1 3.81Å; I66-I87 HydrophobicContact CD1-CG1 4.08Å; I66-L142 HydrophobicContact CG2-CD1 3.7Å |
| 67 | G | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.3 | -172.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A70 I73 S74 L75 A81 P82 | G67-A70 VanDerWaalsContact N-CB 3.27Å; G67-I73 PolarHBondContact N-O 3Å; G67-S74 CarbonylContact O-C 3.47Å; G67-S74 VanDerWaalsContact O-CA 3.28Å; G67-S74 WeakPolarHBondContact O-CA 3.37Å; G67-L75 PolarHBondContact O-N 3.1Å; G67-A81 WeakPolarHBondContact CA-O 3.24Å; G67-P82 CarbonylContact C-O 3.54Å; G67-P82 VanDerWaalsContact CA-O 3.31Å; G67-P82 WeakPolarHBondContact CA-O 3.29Å |
| 68 | S | 95.8 | Very high | 95 | Very high | 50 Ų | 50 | 61.1 Ų | 61.1 | 35% | 0.35 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -79 | -18.1 | -178.4 | 52.5 | 0 | 0 | 0 | 0 | 114.8 | S74 L75 L80 A81 P82 | S68-S74 PolarHBondContact O-OG 3.34Å; S68-L75 VanDerWaalsContact CA-O 3.31Å; S68-L75 WeakPolarHBondContact CA-O 3.42Å; S68-L80 WeakPolarHBondContact CB-O 3.19Å; S68-L80 PolarHBondContact OG-O 3.27Å; S68-A81 PolarHBondContact N-O 3.27Å; S68-A81 VanDerWaalsContact OG-C 3.26Å; S68-A81 PolarHBondContact OG-O 2.93Å; S68-P82 PolarHBondContact N-O 2.92Å; S68-P82 WeakPolarHBondContact OG-CA 3.37Å |
| 69 | A | 94.6 | Very high | 94.9 | Very high | 75 Ų | 75 | 60.4 Ų | 60.4 | 62% | 0.62 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -135 | 26.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | P82 | A69-P82 CarbonylContact C-O 3.58Å; A69-P82 HydrophobicContact CB-CB 4.1Å; A69-P82 PolarHBondContact N-O 3.29Å; A69-P82 VanDerWaalsContact N-O 3.15Å |
| 70 | A | 94.6 | Very high | 94.9 | Very high | 10 Ų | 10 | 61 Ų | 61 | 8% | 0.083 | 34% | 0.338 | C | S | . | . | trans | -72 | 146.7 | 180 | 0 | 0 | 0 | 0 | 0 | 111.1 | V65 G67 P82 | V65-A70 HydrophobicContact CB-CB 4.48Å; V65-A70 HydrophobicContact CG1-CB 3.98Å; G67-A70 VanDerWaalsContact N-CB 3.27Å; A70-P82 PolarHBondContact N-O 2.94Å | ||
| 71 | R | 92.8 | Very high | 95 | Very high | 238 Ų | 238 | 57.9 Ų | 57.9 | 90% | 0.898 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -67.3 | -39.5 | 179.9 | -179.6 | -176.7 | 173.3 | 175 | -2 | 113 | ||
| 72 | D | 96.4 | Very high | 95 | Very high | 79 Ų | 79 | 55.1 Ų | 55.1 | 42% | 0.422 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -91.9 | -55.1 | -169 | -48.6 | -40.7 | 0 | 0 | 0 | 111.4 | T64 V65 | T64-D72 HydrophobicContact CG2-CB 3.92Å; V65-D72 PolarHBondContact N-OD2 3.48Å |
| 73 | I | 95.6 | Very high | 95 | Very high | 11 Ų | 11 | 59.7 Ų | 59.7 | 6% | 0.056 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 99.3 | 176.7 | -57.3 | 178.2 | 0 | 0 | 0 | 109.5 | L42 L57 L59 T64 V65 I66 G67 L75 | L42-I73 HydrophobicContact CD1-CD1 4.2Å; L57-I73 HydrophobicContact CB-CD1 3.99Å; L57-I73 HydrophobicContact CD1-CD1 4.37Å; L57-I73 HydrophobicContact CD1-CG2 3.77Å; L57-I73 HydrophobicContact CD2-CG2 4.35Å; L59-I73 HydrophobicContact CD2-CD1 4.37Å; T64-I73 HydrophobicContact CG2-CD1 3.55Å; T64-I73 HydrophobicContact CG2-CG1 3.8Å; V65-I73 PolarHBondContact O-N 3.02Å; V65-I73 VanDerWaalsContact O-N 3.07Å; I66-I73 WeakPolarHBondContact CA-O 3.26Å; I66-I73 HydrophobicContact CD1-CD1 4.44Å; I66-I73 HydrophobicContact CG1-CB 4.18Å; I66-I73 HydrophobicContact CG1-CD1 4.31Å; I66-I73 HydrophobicContact CG2-CB 4.34Å; I66-I73 HydrophobicContact CG2-CG2 4.21Å; G67-I73 PolarHBondContact N-O 3Å; I73-L75 HydrophobicContact CG2-CD1 4.25Å; I73-L75 HydrophobicContact CG2-CD2 3.91Å; I73-L75 HydrophobicContact CG2-CG 3.89Å |
| 74 | S | 94.3 | Very high | 94.9 | Very high | 77 Ų | 77 | 53.3 Ų | 53.3 | 54% | 0.538 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 119.7 | 173.7 | -169.2 | 0 | 0 | 0 | 0 | 110.7 | G67 S68 | G67-S74 CarbonylContact O-C 3.47Å; G67-S74 VanDerWaalsContact O-CA 3.28Å; G67-S74 WeakPolarHBondContact O-CA 3.37Å; S68-S74 PolarHBondContact O-OG 3.34Å |
| 75 | L | 92.4 | Very high | 94.9 | Very high | 19 Ų | 19 | 52.6 Ų | 52.6 | 10% | 0.099 | 31% | 0.306 | C | S | . | . | trans | -119.4 | 160.7 | 178.1 | -57.7 | 173.5 | 0 | 0 | 0 | 110.6 | L57 I66 G67 S68 I73 L80 L142 T146 L148 | L57-L75 HydrophobicContact CD1-CD2 4.49Å; I66-L75 HydrophobicContact CG2-CD1 3.73Å; I66-L75 HydrophobicContact CG2-CG 4.35Å; G67-L75 PolarHBondContact O-N 3.1Å; S68-L75 VanDerWaalsContact CA-O 3.31Å; S68-L75 WeakPolarHBondContact CA-O 3.42Å; I73-L75 HydrophobicContact CG2-CD1 4.25Å; I73-L75 HydrophobicContact CG2-CD2 3.91Å; I73-L75 HydrophobicContact CG2-CG 3.89Å; L75-L80 HydrophobicContact CB-CD2 3.71Å; L75-L80 WeakPolarHBondContact O-CD2 3.3Å; L75-L142 HydrophobicContact CD1-CD1 4.42Å; L75-T146 HydrophobicContact CB-CG2 4.16Å; L75-T146 HydrophobicContact CD1-CG2 3.8Å; L75-L148 HydrophobicContact CD1-CD1 3.58Å; L75-L148 HydrophobicContact CD1-CD2 4.08Å; L75-L148 HydrophobicContact CD1-CG 4.23Å | ||
| 76 | Q | 89.8 | Confident | 94.9 | Very high | 142 Ų | 142 | 54 Ų | 54 | 66% | 0.664 | 31% | 0.309 | S | S | * | . | trans | -115.4 | 144.3 | 172.2 | -65.9 | -175.6 | -22 | 0 | 0 | 109.6 | S47 T146 | S47-Q76 WeakPolarHBondContact CB-O 3.48Å; Q76-T146 PolarHBondContact O-OG1 3.26Å | ||
| 77 | G | 88.8 | Confident | 95 | Very high | 29 Ų | 29 | 54 Ų | 54 | 30% | 0.299 | 31% | 0.309 | S | S | . | . | trans | 165 | 157.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G79 L80 | G77-G79 PolarHBondContact O-N 3.31Å; G77-L80 WeakPolarHBondContact O-CB 3.35Å; G77-L80 PolarHBondContact O-N 3.45Å | ||
| 78 | P | 90.5 | Very high | 95.1 | Very high | 61 Ų | 61 | 56.4 Ų | 56.4 | 40% | 0.396 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 133.7 | 179.2 | 26.2 | -32.9 | 0 | 0 | 0 | 111.3 | L80 Q144 S145 | P78-L80 VanDerWaalsContact C-N 3.31Å; P78-L80 PolarHBondContact O-N 2.94Å; P78-Q144 HydrophobicContact CB-CB 4.35Å; P78-Q144 HydrophobicContact CG-CB 4.2Å; P78-Q144 WeakPolarHBondContact O-CB 3.4Å; P78-Q144 PolarHBondContact O-N 2.85Å; P78-S145 VanDerWaalsContact CD-OG 3.32Å; P78-S145 WeakPolarHBondContact CD-OG 3.31Å; P78-S145 WeakPolarHBondContact CG-OG 3.46Å |
| 79 | G | 92.8 | Very high | 95.1 | Very high | 49 Ų | 49 | 54.5 Ų | 54.5 | 51% | 0.505 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 9.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | G77 A81 H84 G143 | G77-G79 PolarHBondContact O-N 3.31Å; G79-A81 PolarHBondContact O-N 3.03Å; G79-H84 PolarHBondContact O-CE1 3.35Å; G79-G143 WeakPolarHBondContact O-CA 3.07Å |
| 80 | L | 94.9 | Very high | 95.3 | Very high | 15 Ų | 15 | 55.3 Ų | 55.3 | 8% | 0.079 | 30% | 0.3 | C | S | . | . | trans | -88.1 | 105.4 | 178.2 | -162.5 | 78.7 | 0 | 0 | 0 | 112 | S68 L75 G77 P78 H84 L142 | S68-L80 WeakPolarHBondContact CB-O 3.19Å; S68-L80 PolarHBondContact OG-O 3.27Å; L75-L80 HydrophobicContact CB-CD2 3.71Å; L75-L80 WeakPolarHBondContact O-CD2 3.3Å; G77-L80 WeakPolarHBondContact O-CB 3.35Å; G77-L80 PolarHBondContact O-N 3.45Å; P78-L80 VanDerWaalsContact C-N 3.31Å; P78-L80 PolarHBondContact O-N 2.94Å; L80-H84 HydrophobicContact CD1-CB 3.89Å; L80-H84 HydrophobicContact CG-CB 4.32Å; L80-L142 HydrophobicContact CD1-CB 3.59Å; L80-L142 HydrophobicContact CD1-CD1 4.33Å | ||
| 81 | A | 97.2 | Very high | 95.2 | Very high | 22 Ų | 22 | 65.6 Ų | 65.6 | 18% | 0.182 | 34% | 0.337 | C | S | . | . | trans | -57.4 | 155.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | G67 S68 G79 E83 H84 N101 | G67-A81 WeakPolarHBondContact CA-O 3.24Å; S68-A81 PolarHBondContact N-O 3.27Å; S68-A81 VanDerWaalsContact OG-C 3.26Å; S68-A81 PolarHBondContact OG-O 2.93Å; G79-A81 PolarHBondContact O-N 3.03Å; A81-E83 PolarHBondContact O-N 2.96Å; A81-H84 HydrophobicContact CB-CB 4.45Å; A81-H84 PolarHBondContact N-ND1 3.04Å; A81-H84 VanDerWaalsContact N-ND1 3.18Å; A81-N101 WeakPolarHBondContact CB-OD1 3.31Å | ||
| 82 | P | 97.1 | Very high | 95.1 | Very high | 81 Ų | 81 | 55.5 Ų | 55.5 | 53% | 0.526 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -53.5 | -47.9 | 178.2 | -29.8 | 37.1 | 0 | 0 | 0 | 113.8 | G67 S68 A69 A70 | G67-P82 CarbonylContact C-O 3.54Å; G67-P82 VanDerWaalsContact CA-O 3.31Å; G67-P82 WeakPolarHBondContact CA-O 3.29Å; S68-P82 PolarHBondContact N-O 2.92Å; S68-P82 WeakPolarHBondContact OG-CA 3.37Å; A69-P82 CarbonylContact C-O 3.58Å; A69-P82 HydrophobicContact CB-CB 4.1Å; A69-P82 PolarHBondContact N-O 3.29Å; A69-P82 VanDerWaalsContact N-O 3.15Å; A70-P82 PolarHBondContact N-O 2.94Å |
| 83 | E | 97.1 | Very high | 95 | Very high | 122 Ų | 122 | 54.8 Ų | 54.8 | 57% | 0.57 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -116.7 | 99.1 | 165.8 | -67.7 | -173.7 | -165.4 | 0 | 0 | 107.6 | V65 A81 N101 | V65-E83 HydrophobicContact CG1-CB 4.37Å; V65-E83 HydrophobicContact CG1-CG 4.11Å; A81-E83 PolarHBondContact O-N 2.96Å; E83-N101 PolarHBondContact O-ND2 3.45Å |
| 84 | H | 97.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | trans | -87.4 | -49.4 | -170 | -162.9 | 88.5 | 0 | 0 | 0 | 112.3 | I66 G79 L80 A81 C99 N101 A102 G143 | I66-H84 WeakPolarHBondContact O-CA 3.33Å; I66-H84 WeakPolarHBondContact O-CB 3.45Å; I66-H84 PolarHBondContact O-N 3.29Å; G79-H84 PolarHBondContact O-CE1 3.35Å; L80-H84 HydrophobicContact CD1-CB 3.89Å; L80-H84 HydrophobicContact CG-CB 4.32Å; A81-H84 HydrophobicContact CB-CB 4.45Å; A81-H84 PolarHBondContact N-ND1 3.04Å; A81-H84 VanDerWaalsContact N-ND1 3.18Å; H84-C99 WeakPolarHBondContact O-CB 3.43Å; H84-C99 PolarHBondContact O-N 2.86Å; H84-N101 WeakPolarHBondContact CA-ND2 3.13Å; H84-N101 VanDerWaalsContact CE1-CB 3.46Å; H84-N101 WeakPolarHBondContact CE1-CB 3.44Å; H84-N101 PolarHBondContact O-ND2 3.23Å; H84-A102 PolarHBondContact NE2-O 2.99Å; H84-G143 PolarHBondContact CE1-N 2.94Å; H84-G143 PolarHBondContact NE2-N 2.79Å; H84-G143 VanDerWaalsContact NE2-N 3.2Å | ||
| 85 | C | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 175.7 | 178.4 | 61.2 | 0 | 0 | 0 | 0 | 109 | I66 L96 Y97 | I66-C85 PolarHBondContact N-O 2.84Å; I66-C85 PolarHBondContact O-N 2.82Å; I66-C85 VanDerWaalsContact O-N 3.15Å; I66-C85 VanDerWaalsContact O-O 3.14Å; C85-L96 HydrophobicContact CB-CD1 4Å; C85-Y97 WeakPolarHBondContact CA-O 3.23Å; C85-Y97 VanDerWaalsContact CB-O 3.26Å; C85-Y97 WeakPolarHBondContact CB-O 3.26Å |
| 86 | Y | 98.5 | Very high | 95.5 | Very high | 51 Ų | 51 | 50.9 Ų | 50.9 | 20% | 0.2 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 152.9 | 164.9 | 63 | -85.8 | 0 | 0 | 0 | 110.5 | R63 T64 Y97 | R63-Y86 HydrophobicContact CG-CD2 3.71Å; R63-Y86 HydrophobicContact CG-CE2 4.45Å; R63-Y86 HydrophobicContact CG-CG 4.1Å; R63-Y86 VanDerWaalsContact NE-CD2 3.32Å; T64-Y86 CarbonylContact O-C 3.52Å; T64-Y86 WeakPolarHBondContact O-CA 3.49Å; T64-Y86 VanDerWaalsContact O-CB 3.3Å; T64-Y86 WeakPolarHBondContact O-CB 3.47Å; Y86-Y97 AromaticContact CD2-CD2 3.82Å; Y86-Y97 HydrophobicContact CD2-CD2 3.82Å; Y86-Y97 HydrophobicContact CD2-CG 4.09Å; Y86-Y97 HydrophobicContact CE1-CG 4.02Å; Y86-Y97 HydrophobicContact CE2-CD1 4.03Å; Y86-Y97 AromaticContact CE2-CD2 3.3Å; Y86-Y97 HydrophobicContact CE2-CD2 3.3Å; Y86-Y97 AromaticContact CE2-CE2 3.9Å; Y86-Y97 HydrophobicContact CE2-CE2 3.9Å; Y86-Y97 AromaticContact CE2-CG 3.37Å; Y86-Y97 HydrophobicContact CE2-CG 3.37Å; Y86-Y97 AromaticContact CZ-CD1 3.69Å; Y86-Y97 AromaticContact CZ-CD2 3.81Å; Y86-Y97 AromaticContact CZ-CG 3.32Å; Y86-Y97 PolarHBondContact N-O 2.82Å; Y86-Y97 VanDerWaalsContact N-O 3.12Å; Y86-Y97 PolarHBondContact O-N 2.84Å; Y86-Y97 WeakPolarHBondContact OH-CD1 3.27Å |
| 87 | I | 98.6 | Very high | 95.9 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 127.5 | 169.7 | -61.4 | 173.5 | 0 | 0 | 0 | 107.3 | L42 L59 T64 I66 L94 T95 L96 L116 L140 | L42-I87 HydrophobicContact CD1-CD1 4.04Å; L42-I87 HydrophobicContact CD2-CD1 4.19Å; L59-I87 HydrophobicContact CD1-CD1 4.14Å; L59-I87 HydrophobicContact CD1-CG2 4.35Å; L59-I87 HydrophobicContact CD2-CB 4.48Å; L59-I87 HydrophobicContact CD2-CD1 4.22Å; T64-I87 PolarHBondContact N-O 2.92Å; T64-I87 PolarHBondContact O-N 3.34Å; I66-I87 HydrophobicContact CD1-CD1 3.81Å; I66-I87 HydrophobicContact CD1-CG1 4.08Å; I87-L94 HydrophobicContact CG2-CB 4.13Å; I87-L94 HydrophobicContact CG2-CD2 3.89Å; I87-T95 WeakPolarHBondContact CA-O 3.17Å; I87-L96 HydrophobicContact CD1-CD1 4.45Å; I87-L96 HydrophobicContact CG1-CD1 3.77Å; I87-L116 HydrophobicContact CD1-CD1 3.82Å; I87-L116 HydrophobicContact CG1-CD1 4.26Å; I87-L116 HydrophobicContact CG2-CD1 4.27Å; I87-L140 HydrophobicContact CD1-CD1 4.3Å |
| 88 | E | 98.5 | Very high | 96.3 | Very high | 51 Ų | 51 | 46.3 Ų | 46.3 | 24% | 0.238 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 126.1 | 171.5 | -167 | -178.4 | -137.6 | 0 | 0 | 108.8 | G62 L90 L94 T95 Y97 | G62-E88 CarbonylContact O-C 3.17Å; G62-E88 WeakPolarHBondContact O-CA 3.43Å; E88-L90 HydrophobicContact CG-CD1 4.43Å; E88-L90 HydrophobicContact CG-CD2 4.01Å; E88-L90 HydrophobicContact CG-CG 3.89Å; E88-L94 CarbonylContact O-C 3.52Å; E88-L94 VanDerWaalsContact O-CA 3.29Å; E88-L94 WeakPolarHBondContact O-CA 3.41Å; E88-T95 PolarHBondContact N-O 3.07Å; E88-T95 PolarHBondContact O-N 2.78Å; E88-Y97 HydrophobicContact CB-CD2 4.25Å; E88-Y97 HydrophobicContact CB-CE2 3.68Å; E88-Y97 PolarHBondContact OE2-OH 3.17Å |
| 89 | N | 97.8 | Very high | 96.6 | Very high | 10 Ų | 10 | 46.1 Ų | 46.1 | 5% | 0.053 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 104.6 | 172.5 | 178.1 | 6.6 | 0 | 0 | 0 | 108.9 | L59 E60 G62 G92 L94 | L59-N89 PolarHBondContact O-ND2 3.02Å; E60-N89 VanDerWaalsContact O-CB 3.29Å; E60-N89 WeakPolarHBondContact O-CB 3.44Å; E60-N89 PolarHBondContact O-ND2 3.48Å; G62-N89 PolarHBondContact N-O 2.8Å; G62-N89 PolarHBondContact O-N 2.91Å; N89-G92 WeakPolarHBondContact OD1-CA 3.47Å; N89-G92 PolarHBondContact OD1-N 2.84Å; N89-L94 HydrophobicContact CB-CD2 4.02Å; N89-L94 HydrophobicContact CB-CG 4.04Å |
| 90 | L | 97 | Very high | 96.7 | Very high | 92 Ų | 92 | 47.7 Ų | 47.7 | 48% | 0.482 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 102.7 | 174.3 | -62.1 | 179.3 | 0 | 0 | 0 | 108.7 | E88 G92 T93 | E88-L90 HydrophobicContact CG-CD1 4.43Å; E88-L90 HydrophobicContact CG-CD2 4.01Å; E88-L90 HydrophobicContact CG-CG 3.89Å; L90-G92 PolarHBondContact O-N 2.91Å; L90-G92 VanDerWaalsContact O-N 3.12Å; L90-T93 PolarHBondContact N-O 3.17Å; L90-T93 WeakPolarHBondContact O-CB 3.32Å; L90-T93 PolarHBondContact O-N 2.88Å |
| 91 | R | 93.9 | Very high | 96.8 | Very high | 226 Ų | 226 | 49.2 Ų | 49.2 | 85% | 0.853 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 39.1 | 177.3 | -58 | 174.1 | 61.4 | -155.3 | -1.9 | 113.5 | ||
| 92 | G | 90.6 | Very high | 96.8 | Very high | 26 Ų | 26 | 51.4 Ų | 51.4 | 27% | 0.268 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | 0.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | N89 L90 L94 H152 | N89-G92 WeakPolarHBondContact OD1-CA 3.47Å; N89-G92 PolarHBondContact OD1-N 2.84Å; L90-G92 PolarHBondContact O-N 2.91Å; L90-G92 VanDerWaalsContact O-N 3.12Å; G92-L94 WeakPolarHBondContact O-CD1 3.26Å; G92-H152 PolarHBondContact O-NE2 3.4Å |
| 93 | T | 94.1 | Very high | 96.8 | Very high | 64 Ų | 64 | 47.7 Ų | 47.7 | 39% | 0.393 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 115.7 | 167.4 | -61.9 | 0 | 0 | 0 | 0 | 108.9 | L90 R115 | L90-T93 PolarHBondContact N-O 3.17Å; L90-T93 WeakPolarHBondContact O-CB 3.32Å; L90-T93 PolarHBondContact O-N 2.88Å; T93-R115 HydrophobicContact CG2-CG 4.38Å |
| 94 | L | 97 | Very high | 96.7 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 129.2 | -176.5 | -65.4 | 99.3 | 0 | 0 | 0 | 111.2 | P40 L59 I87 E88 N89 G92 R115 L116 F150 | P40-L94 HydrophobicContact CB-CD1 3.64Å; P40-L94 HydrophobicContact CB-CD2 3.89Å; P40-L94 HydrophobicContact CB-CG 4.44Å; P40-L94 HydrophobicContact CG-CD1 3.59Å; L59-L94 HydrophobicContact CB-CD2 3.67Å; L59-L94 HydrophobicContact CD1-CD2 3.46Å; L59-L94 VanDerWaalsContact CD1-CD2 3.46Å; L59-L94 HydrophobicContact CG-CD2 4.19Å; I87-L94 HydrophobicContact CG2-CB 4.13Å; I87-L94 HydrophobicContact CG2-CD2 3.89Å; E88-L94 CarbonylContact O-C 3.52Å; E88-L94 VanDerWaalsContact O-CA 3.29Å; E88-L94 WeakPolarHBondContact O-CA 3.41Å; N89-L94 HydrophobicContact CB-CD2 4.02Å; N89-L94 HydrophobicContact CB-CG 4.04Å; G92-L94 WeakPolarHBondContact O-CD1 3.26Å; L94-R115 CarbonylContact O-C 3.59Å; L94-R115 WeakPolarHBondContact O-CA 3.31Å; L94-L116 HydrophobicContact CB-CB 4.31Å; L94-L116 PolarHBondContact O-N 2.8Å; L94-F150 HydrophobicContact CB-CE2 4.41Å; L94-F150 HydrophobicContact CB-CZ 4.25Å; L94-F150 HydrophobicContact CD1-CE2 4.23Å; L94-F150 HydrophobicContact CD1-CZ 3.93Å; L94-F150 HydrophobicContact CD2-CE2 3.95Å; L94-F150 HydrophobicContact CD2-CZ 4.43Å; L94-F150 HydrophobicContact CG-CE2 4.42Å; L94-F150 HydrophobicContact CG-CZ 4.42Å |
| 95 | T | 97.7 | Very high | 96.5 | Very high | 25 Ų | 25 | 44.5 Ų | 44.5 | 15% | 0.153 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 126.6 | 179.8 | -54.6 | 0 | 0 | 0 | 0 | 109.3 | I87 E88 Y97 P113 T114 | I87-T95 WeakPolarHBondContact CA-O 3.17Å; E88-T95 PolarHBondContact N-O 3.07Å; E88-T95 PolarHBondContact O-N 2.78Å; T95-Y97 HydrophobicContact CG2-CD2 4.07Å; T95-Y97 HydrophobicContact CG2-CE2 3.54Å; T95-Y97 WeakPolarHBondContact O-CD2 3.32Å; T95-P113 HydrophobicContact CG2-CB 3.9Å; T95-T114 WeakPolarHBondContact CA-O 3.34Å |
| 96 | L | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 129.5 | 173.5 | 177.9 | 70.4 | 0 | 0 | 0 | 109.5 | C85 I87 C103 I105 V110 P113 T114 L116 | C85-L96 HydrophobicContact CB-CD1 4Å; I87-L96 HydrophobicContact CD1-CD1 4.45Å; I87-L96 HydrophobicContact CG1-CD1 3.77Å; L96-C103 HydrophobicContact CD2-CB 4.29Å; L96-I105 HydrophobicContact CD2-CD1 4.14Å; L96-I105 HydrophobicContact CD2-CG1 4.24Å; L96-V110 HydrophobicContact CD2-CG1 4.45Å; L96-P113 VanDerWaalsContact O-CA 3.31Å; L96-P113 WeakPolarHBondContact O-CA 3.4Å; L96-T114 PolarHBondContact N-O 2.89Å; L96-T114 PolarHBondContact O-N 3.36Å; L96-L116 HydrophobicContact CB-CD1 4.4Å; L96-L116 HydrophobicContact CB-CD2 3.95Å; L96-L116 HydrophobicContact CB-CG 4.18Å |
| 97 | Y | 98.3 | Very high | 95.8 | Very high | 53 Ų | 53 | 46.9 Ų | 46.9 | 21% | 0.208 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 108.1 | 175.9 | -68.6 | -102.7 | 0 | 0 | 0 | 109.8 | C85 Y86 E88 T95 C99 P113 | C85-Y97 WeakPolarHBondContact CA-O 3.23Å; C85-Y97 VanDerWaalsContact CB-O 3.26Å; C85-Y97 WeakPolarHBondContact CB-O 3.26Å; Y86-Y97 AromaticContact CD2-CD2 3.82Å; Y86-Y97 HydrophobicContact CD2-CD2 3.82Å; Y86-Y97 HydrophobicContact CD2-CG 4.09Å; Y86-Y97 HydrophobicContact CE1-CG 4.02Å; Y86-Y97 HydrophobicContact CE2-CD1 4.03Å; Y86-Y97 AromaticContact CE2-CD2 3.3Å; Y86-Y97 HydrophobicContact CE2-CD2 3.3Å; Y86-Y97 AromaticContact CE2-CE2 3.9Å; Y86-Y97 HydrophobicContact CE2-CE2 3.9Å; Y86-Y97 AromaticContact CE2-CG 3.37Å; Y86-Y97 HydrophobicContact CE2-CG 3.37Å; Y86-Y97 AromaticContact CZ-CD1 3.69Å; Y86-Y97 AromaticContact CZ-CD2 3.81Å; Y86-Y97 AromaticContact CZ-CG 3.32Å; Y86-Y97 PolarHBondContact N-O 2.82Å; Y86-Y97 VanDerWaalsContact N-O 3.12Å; Y86-Y97 PolarHBondContact O-N 2.84Å; Y86-Y97 WeakPolarHBondContact OH-CD1 3.27Å; E88-Y97 HydrophobicContact CB-CD2 4.25Å; E88-Y97 HydrophobicContact CB-CE2 3.68Å; E88-Y97 PolarHBondContact OE2-OH 3.17Å; T95-Y97 HydrophobicContact CG2-CD2 4.07Å; T95-Y97 HydrophobicContact CG2-CE2 3.54Å; T95-Y97 WeakPolarHBondContact O-CD2 3.32Å; Y97-C99 PolarHBondContact O-N 2.77Å; Y97-P113 HydrophobicContact CD1-CB 3.59Å; Y97-P113 HydrophobicContact CD1-CG 3.38Å; Y97-P113 HydrophobicContact CE1-CB 3.44Å; Y97-P113 VanDerWaalsContact CE1-CB 3.44Å; Y97-P113 HydrophobicContact CE1-CG 3.41Å; Y97-P113 VanDerWaalsContact CE1-CG 3.41Å; Y97-P113 HydrophobicContact CG-CB 4.23Å; Y97-P113 HydrophobicContact CG-CG 4.35Å |
| 98 | P | 97 | Very high | 95.4 | Very high | 23 Ų | 23 | 51.6 Ų | 51.6 | 15% | 0.149 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 126.1 | 174.7 | 30.4 | -34.5 | 0 | 0 | 0 | 110.1 | G100 C103 V110 | P98-G100 PolarHBondContact O-N 2.95Å; P98-C103 HydrophobicContact CB-CB 4.34Å; P98-V110 HydrophobicContact CG-CG1 4.1Å |
| 99 | C | 96.3 | Very high | 95.3 | Very high | 56 Ų | 56 | 53.7 Ų | 53.7 | 38% | 0.378 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -81.9 | 44.4 | 178.5 | -60.5 | 0 | 0 | 0 | 0 | 112 | H84 Y97 N101 | H84-C99 WeakPolarHBondContact O-CB 3.43Å; H84-C99 PolarHBondContact O-N 2.86Å; Y97-C99 PolarHBondContact O-N 2.77Å; C99-N101 PolarHBondContact O-N 2.84Å; C99-N101 PolarHBondContact O-ND2 2.96Å |
| 100 | G | 95 | Very high | 95.1 | Very high | 82 Ų | 82 | 53.8 Ų | 53.8 | 85% | 0.845 | 33% | 0.33 | S | S | * | . | S | Bend | trans | 75.2 | 3 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | P98 | P98-G100 PolarHBondContact O-N 2.95Š|
| 101 | N | 96.9 | Very high | 94.9 | Very high | 48 Ų | 48 | 60.3 Ų | 60.3 | 26% | 0.257 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -95 | 159.4 | -179.8 | -59.4 | -64.8 | 0 | 0 | 0 | 112.4 | A81 E83 H84 C99 C103 | A81-N101 WeakPolarHBondContact CB-OD1 3.31Å; E83-N101 PolarHBondContact O-ND2 3.45Å; H84-N101 WeakPolarHBondContact CA-ND2 3.13Å; H84-N101 VanDerWaalsContact CE1-CB 3.46Å; H84-N101 WeakPolarHBondContact CE1-CB 3.44Å; H84-N101 PolarHBondContact O-ND2 3.23Å; C99-N101 PolarHBondContact O-N 2.84Å; C99-N101 PolarHBondContact O-ND2 2.96Å; N101-C103 PolarHBondContact O-N 2.84Å; N101-C103 VanDerWaalsContact O-N 3.14Å |
| 102 | A | 96.3 | Very high | 94.9 | Very high | 68 Ų | 68 | 56.1 Ų | 56.1 | 56% | 0.562 | 34% | 0.338 | S | S | * | . | trans | -68 | 108.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | H84 G143 | H84-A102 PolarHBondContact NE2-O 2.99Å; A102-G143 PolarHBondContact O-N 3.33Å | ||
| 103 | C | 97.3 | Very high | 95.2 | Very high | 3 Ų | 3 | 58.3 Ų | 58.3 | 2% | 0.02 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 141.5 | 172.8 | -62.9 | 0 | 0 | 0 | 0 | 109.5 | L96 P98 N101 V110 C141 L142 | L96-C103 HydrophobicContact CD2-CB 4.29Å; P98-C103 HydrophobicContact CB-CB 4.34Å; N101-C103 PolarHBondContact O-N 2.84Å; N101-C103 VanDerWaalsContact O-N 3.14Å; C103-V110 HydrophobicContact CB-CB 4.22Å; C103-V110 PolarHBondContact O-N 3.1Å; C103-C141 CarbonylContact C-O 3.57Å; C103-C141 WeakPolarHBondContact CA-O 3.28Å; C103-L142 HydrophobicContact CB-CD2 4.34Å |
| 104 | T | 95.4 | Very high | 95.3 | Very high | 39 Ų | 39 | 57.5 Ų | 57.5 | 24% | 0.239 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 149.8 | 167.9 | 75.6 | 0 | 0 | 0 | 0 | 111.5 | L108 L140 C141 | T104-L108 CarbonylContact C-O 3.57Å; T104-L108 WeakPolarHBondContact CA-O 3.46Å; T104-L108 VanDerWaalsContact CB-O 3.27Å; T104-L108 WeakPolarHBondContact CB-O 3.41Å; T104-L140 WeakPolarHBondContact O-CA 3.39Å; T104-C141 PolarHBondContact N-O 2.73Å; T104-C141 PolarHBondContact O-N 3.12Å; T104-C141 WeakPolarHBondContact OG1-CB 3.46Å |
| 105 | I | 93.9 | Very high | 95.2 | Very high | 17 Ų | 17 | 63.1 Ų | 63.1 | 9% | 0.087 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 121.6 | 169.8 | -65.9 | 166 | 0 | 0 | 0 | 106.4 | L96 G107 L108 V110 T114 L116 C138 M139 L140 | L96-I105 HydrophobicContact CD2-CD1 4.14Å; L96-I105 HydrophobicContact CD2-CG1 4.24Å; I105-G107 PolarHBondContact O-N 2.84Å; I105-G107 VanDerWaalsContact O-N 3.11Å; I105-L108 PolarHBondContact N-O 3.49Å; I105-L108 WeakPolarHBondContact O-CB 3.18Å; I105-L108 PolarHBondContact O-N 3.24Å; I105-V110 HydrophobicContact CB-CG2 4.11Å; I105-V110 HydrophobicContact CD1-CG2 3.54Å; I105-V110 HydrophobicContact CG1-CG2 3.61Å; I105-T114 HydrophobicContact CD1-CG2 3.66Å; I105-L116 HydrophobicContact CD1-CD2 3.59Å; I105-L116 HydrophobicContact CG1-CD2 4.17Å; I105-C138 HydrophobicContact CG2-CB 3.78Å; I105-M139 WeakPolarHBondContact CA-O 3.47Å; I105-L140 HydrophobicContact CG1-CD2 3.67Å |
| 106 | D | 90.9 | Very high | 95 | Very high | 42 Ų | 42 | 62 Ų | 62 | 23% | 0.225 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 36.4 | -177.8 | -56.9 | -38.2 | 0 | 0 | 0 | 112.4 | L108 E120 C138 M139 | D106-L108 VanDerWaalsContact C-N 3.28Å; D106-L108 PolarHBondContact O-N 3.43Å; D106-E120 HydrophobicContact CB-CG 4.23Å; D106-C138 WeakPolarHBondContact OD1-CA 3.45Å; D106-C138 VanDerWaalsContact OD2-CB 3.23Å; D106-C138 WeakPolarHBondContact OD2-CB 3.44Å; D106-M139 PolarHBondContact N-O 3.26Å; D106-M139 PolarHBondContact OD1-N 2.8Å |
| 107 | G | 90.6 | Very high | 94.6 | Very high | 59 Ų | 59 | 62.9 Ų | 62.9 | 61% | 0.608 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.6 | -9.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | I105 | I105-G107 PolarHBondContact O-N 2.84Å; I105-G107 VanDerWaalsContact O-N 3.11Å |
| 108 | L | 91.6 | Very high | 94 | Very high | 100 Ų | 100 | 60.8 Ų | 60.8 | 52% | 0.524 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 132.6 | 178.6 | -62 | 177.1 | 0 | 0 | 0 | 111.6 | T104 I105 D106 | T104-L108 CarbonylContact C-O 3.57Å; T104-L108 WeakPolarHBondContact CA-O 3.46Å; T104-L108 VanDerWaalsContact CB-O 3.27Å; T104-L108 WeakPolarHBondContact CB-O 3.41Å; I105-L108 PolarHBondContact N-O 3.49Å; I105-L108 WeakPolarHBondContact O-CB 3.18Å; I105-L108 PolarHBondContact O-N 3.24Å; D106-L108 VanDerWaalsContact C-N 3.28Å; D106-L108 PolarHBondContact O-N 3.43Å |
| 109 | P | 94.7 | Very high | 93.1 | Very high | 94 Ų | 94 | 61.2 Ų | 61.2 | 61% | 0.61 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 135.2 | -178.3 | 27.8 | -34.3 | 0 | 0 | 0 | 112.3 | ||
| 110 | V | 94.7 | Very high | 91.6 | Very high | 12 Ų | 12 | 62.9 Ų | 62.9 | 7% | 0.073 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 113.5 | 178 | -179.1 | 0 | 0 | 0 | 0 | 109.2 | L96 P98 C103 I105 Q112 T114 | L96-V110 HydrophobicContact CD2-CG1 4.45Å; P98-V110 HydrophobicContact CG-CG1 4.1Å; C103-V110 HydrophobicContact CB-CB 4.22Å; C103-V110 PolarHBondContact O-N 3.1Å; I105-V110 HydrophobicContact CB-CG2 4.11Å; I105-V110 HydrophobicContact CD1-CG2 3.54Å; I105-V110 HydrophobicContact CG1-CG2 3.61Å; V110-Q112 WeakPolarHBondContact CG1-O 3.46Å; V110-T114 WeakPolarHBondContact CG1-OG1 3.4Å |
| 111 | R | 91.6 | Very high | 89.6 | Confident | 230 Ų | 230 | 63.4 Ų | 63.4 | 87% | 0.868 | 35% | 0.346 | S | S | * | . | trans | -110.4 | -10.4 | -179.7 | -64 | -168.1 | 178.5 | 165.5 | 1.1 | 114.3 | ||||
| 112 | Q | 94.4 | Very high | 87.4 | Confident | 137 Ų | 137 | 63.8 Ų | 63.8 | 64% | 0.64 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -139.1 | 169.4 | -177.9 | 67.4 | -175.4 | -3.6 | 0 | 0 | 108.8 | V110 T114 | V110-Q112 WeakPolarHBondContact CG1-O 3.46Å; Q112-T114 PolarHBondContact O-N 2.89Å; Q112-T114 PolarHBondContact O-OG1 2.74Å |
| 113 | P | 97 | Very high | 85.2 | Confident | 73 Ų | 73 | 67.9 Ų | 67.9 | 47% | 0.474 | 37% | 0.373 | S | S | . | . | trans | -55.4 | 124.9 | 175.8 | -25.1 | 36.2 | 0 | 0 | 0 | 111.2 | T95 L96 Y97 | T95-P113 HydrophobicContact CG2-CB 3.9Å; L96-P113 VanDerWaalsContact O-CA 3.31Å; L96-P113 WeakPolarHBondContact O-CA 3.4Å; Y97-P113 HydrophobicContact CD1-CB 3.59Å; Y97-P113 HydrophobicContact CD1-CG 3.38Å; Y97-P113 HydrophobicContact CE1-CB 3.44Å; Y97-P113 VanDerWaalsContact CE1-CB 3.44Å; Y97-P113 HydrophobicContact CE1-CG 3.41Å; Y97-P113 VanDerWaalsContact CE1-CG 3.41Å; Y97-P113 HydrophobicContact CG-CB 4.23Å; Y97-P113 HydrophobicContact CG-CG 4.35Å | ||
| 114 | T | 95.9 | Very high | 82.7 | Confident | 47 Ų | 47 | 75 Ų | 75 | 29% | 0.288 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 127.4 | -175.5 | -63.6 | 0 | 0 | 0 | 0 | 110.5 | T95 L96 I105 V110 Q112 L116 | T95-T114 WeakPolarHBondContact CA-O 3.34Å; L96-T114 PolarHBondContact N-O 2.89Å; L96-T114 PolarHBondContact O-N 3.36Å; I105-T114 HydrophobicContact CD1-CG2 3.66Å; V110-T114 WeakPolarHBondContact CG1-OG1 3.4Å; Q112-T114 PolarHBondContact O-N 2.89Å; Q112-T114 PolarHBondContact O-OG1 2.74Å; T114-L116 PolarHBondContact O-N 2.87Å |
| 115 | R | 95 | Very high | 80.3 | Confident | 118 Ų | 118 | 81.1 Ų | 81.1 | 45% | 0.445 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 130.8 | 175.6 | -175.5 | 176.7 | 177.2 | -93.8 | -13.7 | 109.9 | T93 L94 T117 E155 | T93-R115 HydrophobicContact CG2-CG 4.38Å; L94-R115 CarbonylContact O-C 3.59Å; L94-R115 WeakPolarHBondContact O-CA 3.31Å; R115-T117 HydrophobicContact CG-CG2 4.43Å; R115-E155 IonicContact CZ-OE1 2.92Å; R115-E155 IonicContact NH1-OE1 3.02Å; R115-E155 PolarHBondContact NH1-OE1 3.15Å; R115-E155 IonicContact NH2-OE1 3.74Å; R115-E155 PolarHBondContact NH2-OE1 2.8Å |
| 116 | L | 94 | Very high | 77.8 | Confident | 1 Ų | 1 | 88.1 Ų | 88.1 | 1% | 0.005 | 47% | 0.467 | C | S | . | . | trans | -85.1 | 138 | 171.5 | -58.9 | -177.2 | 0 | 0 | 0 | 109.9 | I87 L94 L96 I105 T114 L140 F150 | I87-L116 HydrophobicContact CD1-CD1 3.82Å; I87-L116 HydrophobicContact CG1-CD1 4.26Å; I87-L116 HydrophobicContact CG2-CD1 4.27Å; L94-L116 HydrophobicContact CB-CB 4.31Å; L94-L116 PolarHBondContact O-N 2.8Å; L96-L116 HydrophobicContact CB-CD1 4.4Å; L96-L116 HydrophobicContact CB-CD2 3.95Å; L96-L116 HydrophobicContact CB-CG 4.18Å; I105-L116 HydrophobicContact CD1-CD2 3.59Å; I105-L116 HydrophobicContact CG1-CD2 4.17Å; T114-L116 PolarHBondContact O-N 2.87Å; L116-L140 HydrophobicContact CD1-CD1 4.33Å; L116-L140 HydrophobicContact CD2-CD2 3.72Å; L116-F150 HydrophobicContact CB-CD1 3.82Å; L116-F150 HydrophobicContact CB-CE1 3.69Å; L116-F150 HydrophobicContact CB-CE2 4.44Å; L116-F150 HydrophobicContact CB-CG 4.24Å; L116-F150 HydrophobicContact CB-CZ 4.01Å; L116-F150 HydrophobicContact CD1-CD2 4.11Å; L116-F150 HydrophobicContact CD1-CE2 4.4Å; L116-F150 HydrophobicContact CD1-CG 4.24Å | ||
| 117 | T | 88.9 | Confident | 75.4 | Confident | 19 Ų | 19 | 89.6 Ų | 89.6 | 12% | 0.117 | 49% | 0.492 | C | S | . | . | trans | -131.5 | 149.7 | -178.6 | 52.7 | 0 | 0 | 0 | 0 | 111.2 | R115 V119 E155 | R115-T117 HydrophobicContact CG-CG2 4.43Å; T117-V119 PolarHBondContact O-N 2.77Å; T117-V119 PolarHBondContact OG1-O 3.19Å; T117-E155 WeakPolarHBondContact CA-OE2 3.39Å | ||
| 118 | Q | 86.7 | Confident | 73.3 | Confident | 9 Ų | 9 | 96.3 Ų | 96.3 | 4% | 0.042 | 51% | 0.508 | C | S | . | . | S | Bend | trans | -65.2 | -14.6 | 170.3 | -176.5 | 60.6 | 25.5 | 0 | 0 | 112.9 | T135 S136 G137 H152 E155 A156 | Q118-T135 PolarHBondContact NE2-O 3.28Å; Q118-S136 CarbonylContact O-C 3.59Å; Q118-G137 VanDerWaalsContact O-CA 3.26Å; Q118-G137 WeakPolarHBondContact O-CA 3.36Å; Q118-G137 PolarHBondContact O-N 3.15Å; Q118-H152 HydrophobicContact CB-CB 4.24Å; Q118-E155 HydrophobicContact CB-CB 4.05Å; Q118-E155 HydrophobicContact CB-CG 4.03Å; Q118-E155 WeakPolarHBondContact CB-OE2 3.48Å; Q118-E155 PolarHBondContact N-OE2 3.36Å; Q118-A156 HydrophobicContact CG-CB 3.71Å |
| 119 | V | 77.1 | Confident | 70.9 | Confident | 31 Ų | 31 | 96.6 Ų | 96.6 | 19% | 0.188 | 53% | 0.525 | C | S | . | . | S | Bend | trans | -104.2 | 135.1 | 179.4 | -163.7 | 0 | 0 | 0 | 0 | 108.8 | T117 T121 P134 M159 | T117-V119 PolarHBondContact O-N 2.77Å; T117-V119 PolarHBondContact OG1-O 3.19Å; V119-T121 PolarHBondContact O-N 2.91Å; V119-P134 HydrophobicContact CG1-CG 4.06Å; V119-M159 HydrophobicContact CB-CE 4.42Å; V119-M159 HydrophobicContact CG1-CE 4.39Å; V119-M159 HydrophobicContact CG2-CE 3.16Å; V119-M159 HydrophobicContact CG2-SD 3.07Å; V119-M159 WeakPolarHBondContact CG2-SD 3.46Å |
| 120 | E | 64.6 | Low | 68.6 | Low | 91 Ų | 91 | 95.5 Ų | 95.5 | 43% | 0.425 | 53% | 0.53 | S | S | . | . | trans | -64 | 111.7 | 163.8 | -178.9 | 176.3 | -179.7 | 0 | 0 | 109.1 | D106 G122 P134 | D106-E120 HydrophobicContact CB-CG 4.23Å; E120-G122 PolarHBondContact O-N 2.92Å; E120-G122 VanDerWaalsContact O-N 3.08Å; E120-P134 HydrophobicContact CB-CB 4.46Å | ||
| 121 | T | 53.2 | Low | 66.5 | Low | 93 Ų | 93 | 102.7 Ų | 102.7 | 57% | 0.571 | 57% | 0.567 | S | S | * | * | trans | -84.7 | 66.5 | 172.6 | 55.9 | 0 | 0 | 0 | 0 | 109.5 | V119 L123 | V119-T121 PolarHBondContact O-N 2.91Å; T121-L123 PolarHBondContact O-N 3.2Å | ||
| 122 | G | 52.6 | Low | 64.3 | Low | 56 Ų | 56 | 99.4 Ų | 99.4 | 58% | 0.577 | 56% | 0.562 | S | S | * | * | trans | -70.2 | 113.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | E120 H124 | E120-G122 PolarHBondContact O-N 2.92Å; E120-G122 VanDerWaalsContact O-N 3.08Å; G122-H124 PolarHBondContact O-N 3.24Å | ||
| 123 | L | 48.6 | Very low | 62.2 | Low | 154 Ų | 154 | 96.4 Ų | 96.4 | 81% | 0.806 | 55% | 0.549 | S | S | * | . | trans | -64 | 106.5 | 174.6 | -117 | 109.9 | 0 | 0 | 0 | 109.8 | T121 | T121-L123 PolarHBondContact O-N 3.2Š| ||
| 124 | H | 46.1 | Very low | 60 | Low | 153 Ų | 153 | 95.6 Ų | 95.6 | 71% | 0.708 | 54% | 0.544 | S | S | * | . | S | Bend | trans | 55.1 | 118.8 | 149.3 | -69 | -95.5 | 0 | 0 | 0 | 120.4 | G122 | G122-H124 PolarHBondContact O-N 3.24Š|
| 125 | H | 44.4 | Very low | 58.1 | Low | 167 Ų | 167 | 95.5 Ų | 95.5 | 77% | 0.773 | 54% | 0.544 | S | S | * | . | trans | 81.7 | 132.5 | 161.4 | -66.9 | 69.4 | 0 | 0 | 0 | 116 | ||||
| 126 | I | 41.5 | Very low | 56.7 | Low | 165 Ų | 165 | 92 Ų | 92 | 85% | 0.846 | 54% | 0.538 | S | S | * | . | -158.1 | 137.2 | 54.6 | -4.1 | 172.6 | 0 | 0 | 0 | 111.6 | |||||
| 127 | G | 41 | Very low | 55.8 | Low | 72 Ų | 72 | 92.1 Ų | 92.1 | 74% | 0.742 | 54% | 0.538 | S | S | * | . | trans | 81 | 103.8 | 143.8 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 128 | Q | 44.9 | Very low | 55.8 | Low | 201 Ų | 201 | 91.2 Ų | 91.2 | 94% | 0.939 | 53% | 0.533 | S | S | * | . | trans | 44.2 | 126.2 | 140.6 | -105.8 | 174 | 38.8 | 0 | 0 | 121.3 | ||||
| 129 | A | 42.6 | Very low | 56.1 | Low | 106 Ų | 106 | 94.6 Ų | 94.6 | 88% | 0.876 | 55% | 0.55 | S | S | * | . | trans | 81.8 | 95.7 | 152.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 130 | G | 46.1 | Very low | 56.9 | Low | 70 Ų | 70 | 93.1 Ų | 93.1 | 72% | 0.722 | 54% | 0.541 | S | S | * | . | trans | 140.1 | 100.1 | 158.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q132 | G130-Q132 PolarHBondContact O-N 3.06Š| ||
| 131 | L | 51 | Low | 58.4 | Low | 163 Ų | 163 | 89.4 Ų | 89.4 | 85% | 0.853 | 53% | 0.525 | S | S | * | . | trans | -64.1 | 74.3 | 169 | -88.6 | 131.8 | 0 | 0 | 0 | 110.2 | L133 | L131-L133 HydrophobicContact CD2-CD1 4.42Š| ||
| 132 | Q | 45.5 | Very low | 60.4 | Low | 162 Ų | 162 | 85 Ų | 85 | 76% | 0.757 | 50% | 0.498 | S | S | * | . | trans | -117.7 | 86.3 | 161.8 | -168.9 | 68.1 | 67 | 0 | 0 | 105.8 | G130 | G130-Q132 PolarHBondContact O-N 3.06Š| ||
| 133 | L | 50 | Low | 62.4 | Low | 73 Ų | 73 | 83.1 Ų | 83.1 | 38% | 0.382 | 48% | 0.478 | S | S | . | . | trans | -56.6 | 134 | 171.5 | -82.9 | 99 | 0 | 0 | 0 | 108.3 | L131 T135 M159 | L131-L133 HydrophobicContact CD2-CD1 4.42Å; L133-T135 VanDerWaalsContact C-N 3.34Å; L133-T135 PolarHBondContact O-N 3.08Å; L133-T135 PolarHBondContact O-OG1 2.95Å; L133-T135 VanDerWaalsContact O-OG1 3.1Å; L133-M159 HydrophobicContact CD2-CE 4Å | ||
| 134 | P | 51.5 | Low | 64.4 | Low | 56 Ų | 56 | 82.6 Ų | 82.6 | 36% | 0.364 | 47% | 0.472 | S | S | . | . | trans | -62.8 | 99.7 | 176.9 | 25.5 | -31 | 0 | 0 | 0 | 107.5 | V119 E120 S136 | V119-P134 HydrophobicContact CG1-CG 4.06Å; E120-P134 HydrophobicContact CB-CB 4.46Å; P134-S136 PolarHBondContact O-N 3.2Å | ||
| 135 | T | 54.4 | Low | 66.4 | Low | 46 Ų | 46 | 78 Ų | 78 | 28% | 0.282 | 46% | 0.457 | S | S | . | . | trans | -92.9 | 28.8 | 173.2 | -28.7 | 0 | 0 | 0 | 0 | 109.7 | Q118 L133 A156 | Q118-T135 PolarHBondContact NE2-O 3.28Å; L133-T135 VanDerWaalsContact C-N 3.34Å; L133-T135 PolarHBondContact O-N 3.08Å; L133-T135 PolarHBondContact O-OG1 2.95Å; L133-T135 VanDerWaalsContact O-OG1 3.1Å; T135-A156 HydrophobicContact CG2-CB 4.49Å | ||
| 136 | S | 65.7 | Low | 68.7 | Low | 45 Ų | 45 | 70.5 Ų | 70.5 | 32% | 0.315 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -95.5 | 117.2 | 171.4 | 46.9 | 0 | 0 | 0 | 0 | 108.3 | Q118 P134 | Q118-S136 CarbonylContact O-C 3.59Å; P134-S136 PolarHBondContact O-N 3.2Å |
| 137 | G | 75.1 | Confident | 71.2 | Confident | 2 Ų | 2 | 68.2 Ų | 68.2 | 2% | 0.021 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 151.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q118 F150 | Q118-G137 VanDerWaalsContact O-CA 3.26Å; Q118-G137 WeakPolarHBondContact O-CA 3.36Å; Q118-G137 PolarHBondContact O-N 3.15Å; G137-F150 CarbonylContact C-O 3.57Å; G137-F150 VanDerWaalsContact C-O 3.3Å; G137-F150 WeakPolarHBondContact CA-O 3.35Å |
| 138 | C | 89 | Confident | 73.7 | Confident | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.007 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -64 | 152.2 | -168.2 | 65.7 | 0 | 0 | 0 | 0 | 113 | I105 D106 F150 | I105-C138 HydrophobicContact CG2-CB 3.78Å; D106-C138 WeakPolarHBondContact OD1-CA 3.45Å; D106-C138 VanDerWaalsContact OD2-CB 3.23Å; D106-C138 WeakPolarHBondContact OD2-CB 3.44Å; C138-F150 PolarHBondContact O-N 2.75Å |
| 139 | M | 93.1 | Very high | 76.1 | Confident | 79 Ų | 79 | 59.8 Ų | 59.8 | 39% | 0.389 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 115.6 | 177.3 | -67 | -58.6 | -57.9 | 0 | 0 | 109.7 | I105 D106 F147 R149 | I105-M139 WeakPolarHBondContact CA-O 3.47Å; D106-M139 PolarHBondContact N-O 3.26Å; D106-M139 PolarHBondContact OD1-N 2.8Å; M139-F147 HydrophobicContact CE-CB 4.43Å; M139-R149 HydrophobicContact CE-CB 4.33Å; M139-R149 HydrophobicContact SD-CB 3.64Å; M139-R149 HydrophobicContact SD-CG 3.76Å |
| 140 | L | 94.9 | Very high | 78.6 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 133.1 | 172.6 | -47.9 | -176.7 | 0 | 0 | 0 | 109.2 | L42 I87 T104 I105 L116 F147 L148 | L42-L140 HydrophobicContact CD2-CD1 3.8Å; I87-L140 HydrophobicContact CD1-CD1 4.3Å; T104-L140 WeakPolarHBondContact O-CA 3.39Å; I105-L140 HydrophobicContact CG1-CD2 3.67Å; L116-L140 HydrophobicContact CD1-CD1 4.33Å; L116-L140 HydrophobicContact CD2-CD2 3.72Å; L140-F147 CarbonylContact O-C 3.52Å; L140-F147 VanDerWaalsContact O-CA 3.29Å; L140-F147 WeakPolarHBondContact O-CA 3.29Å; L140-L148 HydrophobicContact CB-CB 4.31Å; L140-L148 PolarHBondContact N-O 2.93Å; L140-L148 PolarHBondContact O-N 3.33Å |
| 141 | C | 95.1 | Very high | 80.9 | Confident | 13 Ų | 13 | 52.6 Ų | 52.6 | 9% | 0.088 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 125.8 | 163.2 | -169.1 | 0 | 0 | 0 | 0 | 109.3 | C103 T104 T146 F147 | C103-C141 CarbonylContact C-O 3.57Å; C103-C141 WeakPolarHBondContact CA-O 3.28Å; T104-C141 PolarHBondContact N-O 2.73Å; T104-C141 PolarHBondContact O-N 3.12Å; T104-C141 WeakPolarHBondContact OG1-CB 3.46Å; C141-T146 WeakPolarHBondContact CA-O 3.37Å; C141-F147 HydrophobicContact CB-CD1 3.86Å; C141-F147 HydrophobicContact CB-CE1 3.71Å; C141-F147 WeakPolarHBondContact SG-CE1 3.45Å |
| 142 | L | 95.6 | Very high | 82.8 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 136 | 175.6 | -51 | -178 | 0 | 0 | 0 | 109 | I66 L75 L80 C103 Q144 T146 L148 | I66-L142 HydrophobicContact CG2-CD1 3.7Å; L75-L142 HydrophobicContact CD1-CD1 4.42Å; L80-L142 HydrophobicContact CD1-CB 3.59Å; L80-L142 HydrophobicContact CD1-CD1 4.33Å; C103-L142 HydrophobicContact CB-CD2 4.34Å; L142-Q144 PolarHBondContact O-N 3.27Å; L142-T146 PolarHBondContact N-O 3.21Å; L142-T146 WeakPolarHBondContact O-CB 3.35Å; L142-T146 PolarHBondContact O-N 3.35Å; L142-L148 HydrophobicContact CD1-CD1 4.01Å |
| 143 | G | 93.8 | Very high | 84.9 | Confident | 16 Ų | 16 | 39 Ų | 39 | 17% | 0.165 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | -126.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | G79 H84 A102 | G79-G143 WeakPolarHBondContact O-CA 3.07Å; H84-G143 PolarHBondContact CE1-N 2.94Å; H84-G143 PolarHBondContact NE2-N 2.79Å; H84-G143 VanDerWaalsContact NE2-N 3.2Å; A102-G143 PolarHBondContact O-N 3.33Å |
| 144 | Q | 91.1 | Very high | 86.6 | Confident | 143 Ų | 143 | 38 Ų | 38 | 67% | 0.668 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | -32.5 | -177.3 | -61.8 | 176.4 | 15.6 | 0 | 0 | 113.4 | P78 L142 | P78-Q144 HydrophobicContact CB-CB 4.35Å; P78-Q144 HydrophobicContact CG-CB 4.2Å; P78-Q144 WeakPolarHBondContact O-CB 3.4Å; P78-Q144 PolarHBondContact O-N 2.85Å; L142-Q144 PolarHBondContact O-N 3.27Å |
| 145 | S | 88.7 | Confident | 88.1 | Confident | 57 Ų | 57 | 36.5 Ų | 36.5 | 40% | 0.399 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -155.7 | 23.6 | -171.2 | 74.9 | 0 | 0 | 0 | 0 | 114.8 | P78 F147 | P78-S145 VanDerWaalsContact CD-OG 3.32Å; P78-S145 WeakPolarHBondContact CD-OG 3.31Å; P78-S145 WeakPolarHBondContact CG-OG 3.46Å; S145-F147 WeakPolarHBondContact O-CD2 2.95Å |
| 146 | T | 92.8 | Very high | 89.4 | Confident | 8 Ų | 8 | 34.7 Ų | 34.7 | 5% | 0.049 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 100.7 | 176.3 | -60.2 | 0 | 0 | 0 | 0 | 109.3 | L75 Q76 C141 L142 | L75-T146 HydrophobicContact CB-CG2 4.16Å; L75-T146 HydrophobicContact CD1-CG2 3.8Å; Q76-T146 PolarHBondContact O-OG1 3.26Å; C141-T146 WeakPolarHBondContact CA-O 3.37Å; L142-T146 PolarHBondContact N-O 3.21Å; L142-T146 WeakPolarHBondContact O-CB 3.35Å; L142-T146 PolarHBondContact O-N 3.35Å |
| 147 | F | 92.9 | Very high | 90.3 | Very high | 117 Ų | 117 | 38 Ų | 38 | 51% | 0.513 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 135.8 | -176.3 | -61.4 | -83.9 | 0 | 0 | 0 | 112.2 | M139 L140 C141 S145 | M139-F147 HydrophobicContact CE-CB 4.43Å; L140-F147 CarbonylContact O-C 3.52Å; L140-F147 VanDerWaalsContact O-CA 3.29Å; L140-F147 WeakPolarHBondContact O-CA 3.29Å; C141-F147 HydrophobicContact CB-CD1 3.86Å; C141-F147 HydrophobicContact CB-CE1 3.71Å; C141-F147 WeakPolarHBondContact SG-CE1 3.45Å; S145-F147 WeakPolarHBondContact O-CD2 2.95Å |
| 148 | L | 94.8 | Very high | 90.5 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 137.4 | 174.9 | -58.4 | 167.1 | 0 | 0 | 0 | 108.5 | L42 V43 L57 L75 L140 L142 | L42-L148 HydrophobicContact CB-CB 4.44Å; L42-L148 HydrophobicContact CD1-CD1 3.84Å; V43-L148 WeakPolarHBondContact O-CA 3.37Å; L57-L148 HydrophobicContact CD1-CD2 4.42Å; L75-L148 HydrophobicContact CD1-CD1 3.58Å; L75-L148 HydrophobicContact CD1-CD2 4.08Å; L75-L148 HydrophobicContact CD1-CG 4.23Å; L140-L148 HydrophobicContact CB-CB 4.31Å; L140-L148 PolarHBondContact N-O 2.93Å; L140-L148 PolarHBondContact O-N 3.33Å; L142-L148 HydrophobicContact CD1-CD1 4.01Å |
| 149 | R | 94.8 | Very high | 89.8 | Confident | 95 Ų | 95 | 47.7 Ų | 47.7 | 36% | 0.358 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 121.9 | 170.7 | -175.4 | 177.2 | 179.7 | -161.9 | 0.3 | 109.4 | L42 V43 M139 | L42-R149 CarbonylContact C-O 3.57Å; L42-R149 VanDerWaalsContact CA-O 3.32Å; L42-R149 WeakPolarHBondContact CA-O 3.28Å; V43-R149 HydrophobicContact CB-CB 4.15Å; V43-R149 HydrophobicContact CG2-CB 4.5Å; V43-R149 PolarHBondContact N-O 3.06Å; V43-R149 PolarHBondContact O-N 2.95Å; M139-R149 HydrophobicContact CE-CB 4.33Å; M139-R149 HydrophobicContact SD-CB 3.64Å; M139-R149 HydrophobicContact SD-CG 3.76Å |
| 150 | F | 95.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 139.4 | 169.5 | 174.1 | -113.3 | 0 | 0 | 0 | 109.9 | P40 L42 L59 L94 L116 G137 C138 H152 | P40-F150 HydrophobicContact CB-CE2 4.1Å; P40-F150 HydrophobicContact CB-CZ 4.45Å; L42-F150 HydrophobicContact CD2-CB 4.09Å; L42-F150 HydrophobicContact CD2-CD2 4.05Å; L59-F150 HydrophobicContact CD1-CD2 4.02Å; L59-F150 HydrophobicContact CD1-CE2 3.92Å; L94-F150 HydrophobicContact CB-CE2 4.41Å; L94-F150 HydrophobicContact CB-CZ 4.25Å; L94-F150 HydrophobicContact CD1-CE2 4.23Å; L94-F150 HydrophobicContact CD1-CZ 3.93Å; L94-F150 HydrophobicContact CD2-CE2 3.95Å; L94-F150 HydrophobicContact CD2-CZ 4.43Å; L94-F150 HydrophobicContact CG-CE2 4.42Å; L94-F150 HydrophobicContact CG-CZ 4.42Å; L116-F150 HydrophobicContact CB-CD1 3.82Å; L116-F150 HydrophobicContact CB-CE1 3.69Å; L116-F150 HydrophobicContact CB-CE2 4.44Å; L116-F150 HydrophobicContact CB-CG 4.24Å; L116-F150 HydrophobicContact CB-CZ 4.01Å; L116-F150 HydrophobicContact CD1-CD2 4.11Å; L116-F150 HydrophobicContact CD1-CE2 4.4Å; L116-F150 HydrophobicContact CD1-CG 4.24Å; G137-F150 CarbonylContact C-O 3.57Å; G137-F150 VanDerWaalsContact C-O 3.3Å; G137-F150 WeakPolarHBondContact CA-O 3.35Å; C138-F150 PolarHBondContact O-N 2.75Å; F150-H152 HydrophobicContact CE1-CB 3.88Å; F150-H152 HydrophobicContact CZ-CB 3.75Å |
| 151 | N | 93.5 | Very high | 88.2 | Confident | 26 Ų | 26 | 54.4 Ų | 54.4 | 14% | 0.139 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 132.9 | 170.8 | -80.6 | -23.2 | 0 | 0 | 0 | 109.6 | P40 H41 | P40-N151 CarbonylContact C-O 3.3Å; P40-N151 VanDerWaalsContact CA-O 3.26Å; P40-N151 WeakPolarHBondContact CA-O 3.41Å; H41-N151 VanDerWaalsContact CE1-CB 3.44Å; H41-N151 WeakPolarHBondContact CE1-CB 3.46Å; H41-N151 PolarHBondContact N-O 3.48Å; H41-N151 WeakPolarHBondContact NE2-CB 3.45Å; H41-N151 PolarHBondContact NE2-ND2 2.84Å; H41-N151 VanDerWaalsContact NE2-ND2 3.17Å; H41-N151 PolarHBondContact O-N 2.84Å |
| 152 | H | 92.3 | Very high | 87 | Confident | 19 Ų | 19 | 58.7 Ų | 58.7 | 9% | 0.088 | 29% | 0.293 | C | S | . | . | trans | -121.8 | 89.6 | 171 | -163.1 | -37.1 | 0 | 0 | 0 | 110.1 | G92 Q118 F150 A154 E155 A156 | G92-H152 PolarHBondContact O-NE2 3.4Å; Q118-H152 HydrophobicContact CB-CB 4.24Å; F150-H152 HydrophobicContact CE1-CB 3.88Å; F150-H152 HydrophobicContact CZ-CB 3.75Å; H152-A154 VanDerWaalsContact C-N 3.28Å; H152-A154 PolarHBondContact O-N 2.88Å; H152-E155 HydrophobicContact CB-CB 3.96Å; H152-E155 PolarHBondContact ND1-N 3.11Å; H152-E155 PolarHBondContact O-N 3.45Å; H152-A156 PolarHBondContact O-N 3.18Å | ||
| 153 | P | 88.2 | Confident | 85.5 | Confident | 19 Ų | 19 | 62.6 Ų | 62.6 | 12% | 0.123 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.5 | -33.4 | -174.4 | -25.4 | 34.5 | 0 | 0 | 0 | 114.2 | T37 K39 A156 K157 | T37-P153 VanDerWaalsContact O-CB 3.24Å; T37-P153 WeakPolarHBondContact O-CB 3.48Å; T37-P153 WeakPolarHBondContact O-CG 3.12Å; K39-P153 WeakPolarHBondContact O-CD 3.22Å; P153-A156 WeakPolarHBondContact O-CB 3.27Å; P153-A156 PolarHBondContact O-N 3.48Å; P153-K157 VanDerWaalsContact O-CG 3.27Å; P153-K157 WeakPolarHBondContact O-CG 3.48Å; P153-K157 PolarHBondContact O-N 3.23Å |
| 154 | A | 85.4 | Confident | 83.9 | Confident | 53 Ų | 53 | 67 Ų | 67 | 44% | 0.438 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -70.4 | -44 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | H152 A156 K157 W158 | H152-A154 VanDerWaalsContact C-N 3.28Å; H152-A154 PolarHBondContact O-N 2.88Å; A154-A156 VanDerWaalsContact C-N 3.29Å; A154-A156 PolarHBondContact O-N 2.87Å; A154-K157 PolarHBondContact O-N 3.2Å; A154-W158 PolarHBondContact O-N 3.01Å |
| 155 | E | 83.2 | Confident | 82.3 | Confident | 24 Ų | 24 | 64.8 Ų | 64.8 | 11% | 0.112 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.2 | -41.5 | 172.1 | -168.6 | 172.3 | -144.2 | 0 | 0 | 110.5 | R115 T117 Q118 H152 K157 W158 M159 | R115-E155 IonicContact CZ-OE1 2.92Å; R115-E155 IonicContact NH1-OE1 3.02Å; R115-E155 PolarHBondContact NH1-OE1 3.15Å; R115-E155 IonicContact NH2-OE1 3.74Å; R115-E155 PolarHBondContact NH2-OE1 2.8Å; T117-E155 WeakPolarHBondContact CA-OE2 3.39Å; Q118-E155 HydrophobicContact CB-CB 4.05Å; Q118-E155 HydrophobicContact CB-CG 4.03Å; Q118-E155 WeakPolarHBondContact CB-OE2 3.48Å; Q118-E155 PolarHBondContact N-OE2 3.36Å; H152-E155 HydrophobicContact CB-CB 3.96Å; H152-E155 PolarHBondContact ND1-N 3.11Å; H152-E155 PolarHBondContact O-N 3.45Å; E155-K157 PolarHBondContact O-N 2.94Å; E155-W158 PolarHBondContact O-N 3.37Å; E155-M159 WeakPolarHBondContact O-CG 3.17Å; E155-M159 PolarHBondContact O-N 3.05Å |
| 156 | A | 82 | Confident | 80.6 | Confident | 8 Ų | 8 | 65.3 Ų | 65.3 | 7% | 0.066 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.8 | -45.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | Q118 T135 H152 P153 A154 K160 | Q118-A156 HydrophobicContact CG-CB 3.71Å; T135-A156 HydrophobicContact CG2-CB 4.49Å; H152-A156 PolarHBondContact O-N 3.18Å; P153-A156 WeakPolarHBondContact O-CB 3.27Å; P153-A156 PolarHBondContact O-N 3.48Å; A154-A156 VanDerWaalsContact C-N 3.29Å; A154-A156 PolarHBondContact O-N 2.87Å; A156-K160 VanDerWaalsContact O-CG 3.31Å; A156-K160 WeakPolarHBondContact O-CG 3.37Å; A156-K160 PolarHBondContact O-N 2.9Å |
| 157 | K | 84 | Confident | 78.5 | Confident | 116 Ų | 116 | 68.4 Ų | 68.4 | 50% | 0.504 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.8 | -44.7 | 178.9 | -74.8 | 171.5 | -171.2 | 176.5 | 0 | 110.8 | P153 A154 E155 M159 K160 S161 | P153-K157 VanDerWaalsContact O-CG 3.27Å; P153-K157 WeakPolarHBondContact O-CG 3.48Å; P153-K157 PolarHBondContact O-N 3.23Å; A154-K157 PolarHBondContact O-N 3.2Å; E155-K157 PolarHBondContact O-N 2.94Å; K157-M159 PolarHBondContact O-N 2.86Å; K157-K160 PolarHBondContact O-N 2.88Å; K157-S161 PolarHBondContact O-N 3.44Å; K157-S161 VanDerWaalsContact O-N 3.1Å |
| 158 | W | 80.3 | Confident | 76.4 | Confident | 168 Ų | 168 | 74.5 Ų | 74.5 | 64% | 0.636 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -60 | -46.1 | 178.5 | -176.8 | 45 | 0 | 0 | 0 | 111.3 | A154 E155 K160 S161 M162 | A154-W158 PolarHBondContact O-N 3.01Å; E155-W158 PolarHBondContact O-N 3.37Å; W158-K160 PolarHBondContact O-N 3Å; W158-S161 PolarHBondContact O-N 3.03Å; W158-S161 PolarHBondContact O-OG 2.87Å; W158-M162 HydrophobicContact CB-CE 4.42Å; W158-M162 HydrophobicContact CD2-CE 3.18Å; W158-M162 HydrophobicContact CE3-CE 3.7Å; W158-M162 HydrophobicContact CG-CE 3.51Å; W158-M162 HydrophobicContact CH2-CE 4.02Å; W158-M162 HydrophobicContact CZ2-CE 3.55Å; W158-M162 HydrophobicContact CZ2-SD 4.33Å; W158-M162 HydrophobicContact CZ3-CE 4.09Å; W158-M162 VanDerWaalsContact NE1-CE 3.33Å; W158-M162 WeakPolarHBondContact O-CE 3.47Å; W158-M162 PolarHBondContact O-N 3.34Å |
| 159 | M | 74.3 | Confident | 74 | Confident | 38 Ų | 38 | 78.2 Ų | 78.2 | 19% | 0.187 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 175.6 | -72.6 | -174.4 | 78.7 | 0 | 0 | 113.9 | V119 L133 E155 K157 S161 M162 | V119-M159 HydrophobicContact CB-CE 4.42Å; V119-M159 HydrophobicContact CG1-CE 4.39Å; V119-M159 HydrophobicContact CG2-CE 3.16Å; V119-M159 HydrophobicContact CG2-SD 3.07Å; V119-M159 WeakPolarHBondContact CG2-SD 3.46Å; L133-M159 HydrophobicContact CD2-CE 4Å; E155-M159 WeakPolarHBondContact O-CG 3.17Å; E155-M159 PolarHBondContact O-N 3.05Å; K157-M159 PolarHBondContact O-N 2.86Å; M159-S161 PolarHBondContact O-N 3.14Å; M159-M162 PolarHBondContact O-N 3.37Å; M159-M162 VanDerWaalsContact O-N 3.11Å |
| 160 | K | 79.2 | Confident | 71.8 | Confident | 130 Ų | 130 | 79.7 Ų | 79.7 | 57% | 0.565 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -59.3 | -33.7 | 176.6 | -74.7 | 172.9 | -175.7 | -178.9 | 0 | 112.2 | A156 K157 W158 M162 | A156-K160 VanDerWaalsContact O-CG 3.31Å; A156-K160 WeakPolarHBondContact O-CG 3.37Å; A156-K160 PolarHBondContact O-N 2.9Å; K157-K160 PolarHBondContact O-N 2.88Å; W158-K160 PolarHBondContact O-N 3Å; K160-M162 VanDerWaalsContact C-N 3.33Å |
| 161 | S | 75.1 | Confident | 69.5 | Low | 91 Ų | 91 | 82.5 Ų | 82.5 | 64% | 0.636 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -73.5 | -21.4 | 178.4 | 74.5 | 0 | 0 | 0 | 0 | 114.3 | K157 W158 M159 I163 | K157-S161 PolarHBondContact O-N 3.44Å; K157-S161 VanDerWaalsContact O-N 3.1Å; W158-S161 PolarHBondContact O-N 3.03Å; W158-S161 PolarHBondContact O-OG 2.87Å; M159-S161 PolarHBondContact O-N 3.14Å; S161-I163 VanDerWaalsContact C-N 3.35Å |
| 162 | M | 68.8 | Low | 67.6 | Low | 102 Ų | 102 | 86.9 Ų | 86.9 | 50% | 0.502 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -8.3 | 178.1 | -73.5 | -175.6 | -102.6 | 0 | 0 | 113.6 | W158 M159 K160 P164 | W158-M162 HydrophobicContact CB-CE 4.42Å; W158-M162 HydrophobicContact CD2-CE 3.18Å; W158-M162 HydrophobicContact CE3-CE 3.7Å; W158-M162 HydrophobicContact CG-CE 3.51Å; W158-M162 HydrophobicContact CH2-CE 4.02Å; W158-M162 HydrophobicContact CZ2-CE 3.55Å; W158-M162 HydrophobicContact CZ2-SD 4.33Å; W158-M162 HydrophobicContact CZ3-CE 4.09Å; W158-M162 VanDerWaalsContact NE1-CE 3.33Å; W158-M162 WeakPolarHBondContact O-CE 3.47Å; W158-M162 PolarHBondContact O-N 3.34Å; M159-M162 PolarHBondContact O-N 3.37Å; M159-M162 VanDerWaalsContact O-N 3.11Å; K160-M162 VanDerWaalsContact C-N 3.33Å; M162-P164 VanDerWaalsContact O-CD 3.28Å; M162-P164 WeakPolarHBondContact O-CD 3.32Å |
| 163 | I | 64.7 | Low | 65.5 | Low | 84 Ų | 84 | 91.5 Ų | 91.5 | 43% | 0.431 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -74.1 | 117.3 | 175.2 | -58.3 | 172.3 | 0 | 0 | 0 | 107.2 | S161 A165 | S161-I163 VanDerWaalsContact C-N 3.35Å; I163-A165 PolarHBondContact O-N 3.37Å |
| 164 | P | 60.2 | Low | 63.3 | Low | 107 Ų | 107 | 101.9 Ų | 101.9 | 70% | 0.695 | 60% | 0.595 | S | S | * | * | trans | -57.4 | 121 | 170.6 | -17.4 | 30.4 | 0 | 0 | 0 | 107 | M162 G166 | M162-P164 VanDerWaalsContact O-CD 3.28Å; M162-P164 WeakPolarHBondContact O-CD 3.32Å; P164-G166 VanDerWaalsContact C-N 3.35Å; P164-G166 PolarHBondContact O-N 2.97Å | ||
| 165 | A | 58.7 | Low | 61.3 | Low | 97 Ų | 97 | 104.2 Ų | 104.2 | 80% | 0.802 | 61% | 0.607 | S | S | * | * | trans | -53.4 | 109.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 105.2 | I163 G167 | I163-A165 PolarHBondContact O-N 3.37Å; A165-G167 PolarHBondContact O-N 2.99Å | ||
| 166 | G | 51.8 | Low | 59.3 | Low | 68 Ų | 68 | 109 Ų | 109 | 70% | 0.701 | 64% | 0.641 | S | S | * | * | trans | -43.6 | 122.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | P164 R168 | P164-G166 VanDerWaalsContact C-N 3.35Å; P164-G166 PolarHBondContact O-N 2.97Å; G166-R168 PolarHBondContact O-N 3.37Å | ||
| 167 | G | 48.7 | Very low | 57.3 | Low | 73 Ų | 73 | 115.2 Ų | 115.2 | 75% | 0.753 | 68% | 0.677 | S | S | * | * | trans | -48.8 | 114.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | A165 A169 | A165-G167 PolarHBondContact O-N 2.99Å; G167-A169 PolarHBondContact O-N 3.21Å | ||
| 168 | R | 49.5 | Very low | 55.1 | Low | 245 Ų | 245 | 115.2 Ų | 115.2 | 93% | 0.925 | 69% | 0.69 | S | S | * | * | trans | -63.6 | 85.6 | 151.6 | -83.2 | -178.1 | 178.5 | 175 | -0.5 | 104.8 | G166 P170 | G166-R168 PolarHBondContact O-N 3.37Å; R168-P170 WeakPolarHBondContact O-CD 3.39Å | ||
| 169 | A | 45.2 | Very low | 53.1 | Low | 80 Ų | 80 | 111.3 Ų | 111.3 | 66% | 0.661 | 69% | 0.693 | S | S | * | * | trans | -51.3 | 125.7 | 158.4 | 0 | 0 | 0 | 0 | 0 | 105.5 | G167 G171 | G167-A169 PolarHBondContact O-N 3.21Å; A169-G171 PolarHBondContact O-N 3.47Å | ||
| 170 | P | 47.3 | Very low | 51.3 | Low | 126 Ų | 126 | 117.8 Ų | 117.8 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | trans | -55.2 | 110.8 | 162.7 | -17.4 | 29.9 | 0 | 0 | 0 | 105.4 | R168 | R168-P170 WeakPolarHBondContact O-CD 3.39Š| ||
| 171 | G | 47.4 | Very low | 49.3 | Very low | 58 Ų | 58 | 117.5 Ų | 117.5 | 60% | 0.598 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 138.8 | 174 | 0 | 0 | 0 | 0 | 0 | 108.1 | A169 | A169-G171 PolarHBondContact O-N 3.47Š|
| 172 | P | 54.3 | Low | 47.4 | Very low | 119 Ų | 119 | 121.5 Ų | 121.5 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 140.9 | 175.5 | 23.5 | -30.7 | 0 | 0 | 0 | 108.9 | Y174 | P172-Y174 PolarHBondContact O-N 3.09Š|
| 173 | P | 47.1 | Very low | 46 | Very low | 116 Ų | 116 | 122.5 Ų | 122.5 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 131.8 | -178.4 | 22.6 | -30.6 | 0 | 0 | 0 | 109.9 | S175 | P173-S175 PolarHBondContact O-N 3.48Š|
| 174 | Y | 41.7 | Very low | 44.8 | Very low | 237 Ų | 237 | 125.9 Ų | 125.9 | 93% | 0.929 | 78% | 0.781 | S | S | * | * | trans | -40.5 | 119.1 | 172.7 | -101.4 | -101.1 | 0 | 0 | 0 | 110.8 | P172 | P172-Y174 PolarHBondContact O-N 3.09Š| ||
| 175 | S | 43 | Very low | 43.7 | Very low | 101 Ų | 101 | 127.1 Ų | 127.1 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | trans | -104.7 | 129.1 | 164.8 | -57.5 | 0 | 0 | 0 | 0 | 107.7 | P173 | P173-S175 PolarHBondContact O-N 3.48Š| ||
| 176 | P | 42.3 | Very low | 42.6 | Very low | 125 Ų | 125 | 128.6 Ų | 128.6 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 129.9 | 179.9 | -6.2 | 21.4 | 0 | 0 | 0 | 110.3 | ||
| 177 | V | 39.2 | Very low | 41.6 | Very low | 138 Ų | 138 | 128.3 Ų | 128.3 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 127.1 | 170.5 | 176.9 | 0 | 0 | 0 | 0 | 108.9 | ||
| 178 | P | 39.5 | Very low | 40.9 | Very low | 117 Ų | 117 | 130 Ų | 130 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 142.9 | 160.9 | 2.3 | 17.1 | 0 | 0 | 0 | 110.2 | ||
| 179 | A | 37.3 | Very low | 40.5 | Very low | 86 Ų | 86 | 125.5 Ų | 125.5 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 160.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 180 | E | 36.1 | Very low | 40.1 | Very low | 173 Ų | 173 | 127.9 Ų | 127.9 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | trans | 72.9 | 122.4 | 156.9 | -56.3 | -170.3 | 120.5 | 0 | 0 | 119.8 | ||||
| 181 | S | 37.7 | Very low | 39.9 | Very low | 125 Ų | 125 | 127.3 Ų | 127.3 | 87% | 0.874 | 76% | 0.761 | S | S | * | * | -161.8 | 111.9 | 123.5 | -79.6 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 182 | E | 35.9 | Very low | 39.1 | Very low | 175 Ų | 175 | 134.2 Ų | 134.2 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -66.8 | 139.3 | 163.6 | -54.3 | -175.8 | 107.6 | 0 | 0 | 109.5 | ||||
| 183 | S | 38.7 | Very low | 38 | Very low | 123 Ų | 123 | 135.1 Ų | 135.1 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | trans | -138.4 | 107.7 | 157 | 76.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 184 | L | 38.4 | Very low | 37.3 | Very low | 154 Ų | 154 | 133.7 Ų | 133.7 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | trans | -75.8 | 168.5 | 174.6 | -74 | 161.8 | 0 | 0 | 0 | 112.5 | ||||
| 185 | V | 38.8 | Very low | 36.9 | Very low | 134 Ų | 134 | 129.1 Ų | 129.1 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | trans | 97.7 | 136.6 | 148.3 | 112.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 186 | N | 34.3 | Very low | 36.4 | Very low | 128 Ų | 128 | 136.4 Ų | 136.4 | 68% | 0.684 | 79% | 0.788 | S | S | * | * | cis | -167.2 | 155.6 | 3.6 | -164.3 | 18.6 | 0 | 0 | 0 | 111.5 | ||||
| 187 | G | 32.1 | Very low | 35.9 | Very low | 62 Ų | 62 | 133.9 Ų | 133.9 | 64% | 0.639 | 79% | 0.785 | S | S | * | * | trans | 120 | 131.3 | 135.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 188 | N | 34.1 | Very low | 36.1 | Very low | 107 Ų | 107 | 133.4 Ų | 133.4 | 57% | 0.572 | 79% | 0.785 | S | S | * | * | cis | -174.5 | 140 | -10.3 | -123.1 | -3.7 | 0 | 0 | 0 | 109.1 | ||||
| 189 | H | 40.8 | Very low | 36 | Very low | 151 Ų | 151 | 133 Ų | 133 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | trans | 65 | 137.9 | 151.1 | -52.4 | -44.3 | 0 | 0 | 0 | 120.8 | ||||
| 190 | T | 35.6 | Very low | 36 | Very low | 130 Ų | 130 | 133.7 Ų | 133.7 | 80% | 0.798 | 79% | 0.791 | S | S | * | * | cis | -163 | 164.8 | 8.3 | 15.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 191 | P | 44 | Very low | 35.9 | Very low | 114 Ų | 114 | 131.1 Ų | 131.1 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | trans | -104 | 147.8 | -168.8 | 37 | -28 | 0 | 0 | 0 | 114.3 | ||||
| 192 | Q | 31 | Very low | 36 | Very low | 204 Ų | 204 | 130 Ų | 130 | 95% | 0.953 | 79% | 0.788 | S | S | * | * | trans | -146.8 | 148.5 | 159.3 | -81.2 | -161.2 | -3.8 | 0 | 0 | 113.7 | ||||
| 193 | T | 30.4 | Very low | 36.1 | Very low | 138 Ų | 138 | 126.1 Ų | 126.1 | 85% | 0.847 | 78% | 0.781 | S | S | * | * | trans | -109 | 147 | -159.7 | -5.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 194 | A | 32.4 | Very low | 36.4 | Very low | 85 Ų | 85 | 128.8 Ų | 128.8 | 70% | 0.702 | 78% | 0.779 | S | S | * | * | trans | 56.7 | 123.7 | 142.5 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 195 | T | 33 | Very low | 36.6 | Very low | 142 Ų | 142 | 126.6 Ų | 126.6 | 87% | 0.871 | 78% | 0.777 | S | S | * | * | -174.7 | 116.3 | 115.9 | 7.7 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 196 | R | 32.7 | Very low | 36.7 | Very low | 253 Ų | 253 | 125.7 Ų | 125.7 | 96% | 0.955 | 78% | 0.777 | S | S | * | * | 32 | 119.4 | 125.5 | -153.3 | 177.2 | 177.3 | 179.2 | -2 | 121.5 | |||||
| 197 | G | 32.3 | Very low | 37.3 | Very low | 72 Ų | 72 | 127.8 Ų | 127.8 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | trans | 151.5 | 151.1 | 147.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 198 | P | 43.6 | Very low | 37.5 | Very low | 129 Ų | 129 | 131.1 Ų | 131.1 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | -120.2 | 174.5 | -139.8 | 41 | -28.7 | 0 | 0 | 0 | 118.1 | ||||
| 199 | S | 36.8 | Very low | 38.1 | Very low | 109 Ų | 109 | 134.7 Ų | 134.7 | 76% | 0.762 | 83% | 0.828 | S | S | * | * | trans | 64.4 | 121.1 | 149.7 | -161.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 200 | A | 37.1 | Very low | 37.9 | Very low | 100 Ų | 100 | 133.9 Ų | 133.9 | 83% | 0.826 | 84% | 0.835 | S | S | * | * | trans | -151.9 | 112.3 | 139.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 201 | C | 34.4 | Very low | 38 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 80% | 0.797 | 84% | 0.837 | S | S | * | * | trans | -63 | 143 | 161.3 | -55.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 202 | A | 39 | Very low | 37.7 | Very low | 101 Ų | 101 | 135.2 Ų | 135.2 | 84% | 0.835 | 84% | 0.842 | S | S | * | * | trans | -159.2 | 100 | 145.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 203 | S | 38.6 | Very low | 38.1 | Very low | 95 Ų | 95 | 131.2 Ų | 131.2 | 66% | 0.664 | 84% | 0.836 | S | S | * | * | trans | -66.2 | 152 | 158.1 | -53.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 204 | H | 45.1 | Very low | 38.6 | Very low | 178 Ų | 178 | 130.8 Ų | 130.8 | 82% | 0.824 | 84% | 0.835 | S | S | * | * | 164.1 | 109.4 | 114.8 | -88.1 | -75.8 | 0 | 0 | 0 | 112.8 | |||||
| 205 | S | 43.2 | Very low | 39 | Very low | 109 Ų | 109 | 133.8 Ų | 133.8 | 76% | 0.762 | 84% | 0.844 | S | S | * | * | 27.7 | 136.1 | 127 | -45.2 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 206 | S | 40 | Very low | 39.4 | Very low | 115 Ų | 115 | 133.2 Ų | 133.2 | 80% | 0.804 | 84% | 0.842 | S | S | * | * | 168.9 | 117 | 118.7 | 41 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 207 | L | 46.3 | Very low | 40 | Very low | 171 Ų | 171 | 124 Ų | 124 | 90% | 0.895 | 83% | 0.833 | S | S | * | * | 66.5 | 144.4 | 80.8 | -87 | 177.9 | 0 | 0 | 0 | 116.6 | |||||
| 208 | V | 37 | Very low | 40.6 | Very low | 132 Ų | 132 | 128.3 Ų | 128.3 | 80% | 0.8 | 84% | 0.841 | S | S | * | * | trans | 92 | 125.5 | 167.8 | -164.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 209 | S | 46 | Very low | 40.3 | Very low | 183 Ų | 183 | 128.3 Ų | 128.3 | 100% | 1.28 | 84% | 0.841 | S | S | * | * | cis | -151 | 0 | 14.6 | -137.6 | 0 | 0 | 0 | 0 | 111.5 |
Retrieved 209 of 209 residues in 44.3 ms
(Link to these results)