| 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 | 41.8 | Very low | 37.4 | Very low | 254 Ų | 254 | 145.5 Ų | 145.5 | 100% | 1.251 | 85% | 0.854 | S | S | * | * | 0 | 99 | 0 | -72.2 | 175.6 | -175 | 0 | 0 | 107.2 | |||||
| 2 | G | 37 | Very low | 37.1 | Very low | 77 Ų | 77 | 143.2 Ų | 143.2 | 79% | 0.794 | 85% | 0.852 | S | S | * | * | trans | -129.1 | 122.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 3 | N | 40.9 | Very low | 37.1 | Very low | 163 Ų | 163 | 147.1 Ų | 147.1 | 87% | 0.872 | 85% | 0.851 | S | S | * | * | trans | -99.9 | 144.8 | 163.3 | -94.1 | 15.5 | 0 | 0 | 0 | 108.3 | ||||
| 4 | M | 38.6 | Very low | 36.8 | Very low | 171 Ų | 171 | 144.9 Ų | 144.9 | 84% | 0.842 | 84% | 0.841 | S | S | * | * | trans | 160.4 | 138.8 | 153.9 | -93.5 | -179 | -159.2 | 0 | 0 | 107.2 | ||||
| 5 | M | 41.7 | Very low | 36.3 | Very low | 135 Ų | 135 | 145.8 Ų | 145.8 | 67% | 0.665 | 84% | 0.841 | S | S | * | * | cis | -167 | 158.2 | 7.7 | -100.2 | -153.2 | -167.5 | 0 | 0 | 109.5 | ||||
| 6 | R | 35.3 | Very low | 36.6 | Very low | 232 Ų | 232 | 143.7 Ų | 143.7 | 88% | 0.875 | 83% | 0.832 | S | S | * | * | trans | 59.1 | 135 | 143 | -73.4 | 173 | 168 | -134.3 | -3 | 118.9 | ||||
| 7 | G | 31.3 | Very low | 36.4 | Very low | 75 Ų | 75 | 143.4 Ų | 143.4 | 77% | 0.773 | 83% | 0.826 | S | S | * | * | cis | 115.4 | 110.3 | 19.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 8 | A | 34.7 | Very low | 36.1 | Very low | 107 Ų | 107 | 143.3 Ų | 143.3 | 88% | 0.884 | 82% | 0.823 | S | S | * | * | trans | -166.8 | 126.2 | 152.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 9 | S | 36.1 | Very low | 36.4 | Very low | 120 Ų | 120 | 142.4 Ų | 142.4 | 84% | 0.839 | 82% | 0.822 | S | S | * | * | trans | -73.1 | 144.2 | 171.3 | 45.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 10 | D | 34.2 | Very low | 36.4 | Very low | 157 Ų | 157 | 142 Ų | 142 | 84% | 0.84 | 82% | 0.817 | S | S | * | * | trans | -145.3 | 134.5 | 138.4 | -156.8 | 3.5 | 0 | 0 | 0 | 110.5 | ||||
| 11 | S | 39.8 | Very low | 36.4 | Very low | 109 Ų | 109 | 140.3 Ų | 140.3 | 76% | 0.762 | 81% | 0.814 | S | S | * | * | trans | -112.8 | 117.2 | -179.7 | 54 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 12 | S | 34.4 | Very low | 36.4 | Very low | 118 Ų | 118 | 132.3 Ų | 132.3 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | -135.6 | 130.8 | 162.2 | 50.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 13 | K | 36 | Very low | 36.8 | Very low | 194 Ų | 194 | 136 Ų | 136 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | -83.9 | 144.9 | -174.2 | -89.6 | 175.2 | 175.1 | 176.8 | 0 | 110.7 | ||||
| 14 | V | 33.9 | Very low | 36.6 | Very low | 116 Ų | 116 | 138 Ų | 138 | 70% | 0.703 | 79% | 0.786 | S | S | * | * | trans | 69.6 | 115.1 | 138 | -179.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 15 | N | 29 | Very low | 36.7 | Very low | 159 Ų | 159 | 132.5 Ų | 132.5 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | -165.1 | 127.3 | 109.9 | -111.4 | -11.7 | 0 | 0 | 0 | 112.7 | |||||
| 16 | T | 40.8 | Very low | 37.2 | Very low | 112 Ų | 112 | 128.6 Ų | 128.6 | 69% | 0.687 | 76% | 0.758 | S | S | * | * | trans | -77.2 | 158.4 | 165 | -49.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 17 | D | 32.8 | Very low | 38.2 | Very low | 139 Ų | 139 | 123.4 Ų | 123.4 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | trans | 82.1 | 98.2 | 168.4 | -54.9 | -42.2 | 0 | 0 | 0 | 118.6 | ||||
| 18 | N | 32 | Very low | 39.6 | Very low | 142 Ų | 142 | 124.5 Ų | 124.5 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | 176.2 | 119.1 | 110 | -109.9 | 4.3 | 0 | 0 | 0 | 111.6 | D20 | N18-D20 PolarHBondContact O-N 2.77Š| |||
| 19 | P | 41.7 | Very low | 42 | Very low | 125 Ų | 125 | 121.3 Ų | 121.3 | 81% | 0.812 | 70% | 0.704 | S | S | * | * | trans | -91.1 | 82.6 | 161.7 | 34.9 | -24.6 | 0 | 0 | 0 | 108.1 | ||||
| 20 | D | 35.8 | Very low | 44.7 | Very low | 135 Ų | 135 | 117.2 Ų | 117.2 | 72% | 0.722 | 67% | 0.672 | S | S | * | * | trans | -136 | 57.9 | 171.2 | -139.5 | 4 | 0 | 0 | 0 | 109.8 | N18 A22 | N18-D20 PolarHBondContact O-N 2.77Å; D20-A22 PolarHBondContact O-N 3.48Å | ||
| 21 | S | 37.5 | Very low | 47.5 | Very low | 106 Ų | 106 | 109.8 Ų | 109.8 | 74% | 0.741 | 63% | 0.633 | S | S | * | * | trans | -74.7 | 81.8 | 158.7 | 50.8 | 0 | 0 | 0 | 0 | 107.2 | Q23 | S21-Q23 VanDerWaalsContact C-N 3.28Å; S21-Q23 PolarHBondContact O-N 3.03Å | ||
| 22 | A | 40.5 | Very low | 50.1 | Low | 86 Ų | 86 | 104.6 Ų | 104.6 | 71% | 0.711 | 60% | 0.596 | S | S | * | * | trans | -51.6 | 98.5 | 161.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | D20 K24 | D20-A22 PolarHBondContact O-N 3.48Å; A22-K24 PolarHBondContact O-N 3.16Å | ||
| 23 | Q | 45.2 | Very low | 52.9 | Low | 155 Ų | 155 | 99 Ų | 99 | 72% | 0.724 | 56% | 0.557 | S | S | * | * | trans | -61.9 | 108.6 | 174.9 | -77.4 | -174.8 | -51.4 | 0 | 0 | 106.9 | S21 G25 | S21-Q23 VanDerWaalsContact C-N 3.28Å; S21-Q23 PolarHBondContact O-N 3.03Å; Q23-G25 PolarHBondContact O-N 3.09Å | ||
| 24 | K | 36.7 | Very low | 55.6 | Low | 206 Ų | 206 | 90.7 Ų | 90.7 | 90% | 0.896 | 52% | 0.522 | S | S | * | . | trans | -59.8 | 92.5 | 168 | -162.4 | -176.3 | -170.6 | -171.7 | 0 | 106 | A22 S26 | A22-K24 PolarHBondContact O-N 3.16Å; K24-S26 PolarHBondContact O-N 3.24Å | ||
| 25 | G | 41.3 | Very low | 58.3 | Low | 54 Ų | 54 | 87.9 Ų | 87.9 | 56% | 0.557 | 50% | 0.503 | S | S | * | . | trans | -53.8 | 108.1 | -175 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q23 | Q23-G25 PolarHBondContact O-N 3.09Š| ||
| 26 | S | 52.6 | Low | 61.2 | Low | 54 Ų | 54 | 83 Ų | 83 | 38% | 0.378 | 48% | 0.477 | S | S | . | . | trans | -66.7 | 150 | 168.1 | 46.9 | 0 | 0 | 0 | 0 | 107.8 | K24 D28 D29 | K24-S26 PolarHBondContact O-N 3.24Å; S26-D28 PolarHBondContact O-N 3.06Å; S26-D29 PolarHBondContact O-N 3.12Å | ||
| 27 | D | 55.7 | Low | 63.5 | Low | 122 Ų | 122 | 79.8 Ų | 79.8 | 65% | 0.652 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -59.8 | -7.6 | 170.8 | -153.9 | 34.7 | 0 | 0 | 0 | 112.1 | D29 I30 | D27-D29 VanDerWaalsContact C-N 3.32Å; D27-D29 PolarHBondContact O-N 3.38Å; D27-I30 WeakPolarHBondContact OD1-CD1 3.42Å |
| 28 | D | 60.9 | Low | 66.2 | Low | 99 Ų | 99 | 73.9 Ų | 73.9 | 53% | 0.529 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -77 | -8.2 | 178.2 | -61.1 | -38.3 | 0 | 0 | 0 | 114.7 | S26 | S26-D28 PolarHBondContact O-N 3.06Š|
| 29 | D | 86.2 | Confident | 68.7 | Low | 40 Ų | 40 | 69.8 Ų | 69.8 | 21% | 0.214 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -100.3 | 26.8 | -179.4 | -82.4 | -29.4 | 0 | 0 | 0 | 113 | S26 D27 V55 | S26-D29 PolarHBondContact O-N 3.12Å; D27-D29 VanDerWaalsContact C-N 3.32Å; D27-D29 PolarHBondContact O-N 3.38Å; D29-V55 HydrophobicContact CB-CB 4.13Å; D29-V55 PolarHBondContact O-N 2.99Å |
| 30 | I | 91.6 | Very high | 70.7 | Confident | 33 Ų | 33 | 69.8 Ų | 69.8 | 17% | 0.169 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 128.6 | 173.3 | -59.8 | 176.9 | 0 | 0 | 0 | 109.9 | D27 I68 V84 | D27-I30 WeakPolarHBondContact OD1-CD1 3.42Å; I30-I68 HydrophobicContact CG2-CD1 4.4Å; I30-V84 PolarHBondContact O-N 3.46Å |
| 31 | V | 93.3 | Very high | 72.8 | Confident | 1 Ų | 1 | 72.5 Ų | 72.5 | 1% | 0.006 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 152.4 | 173.8 | -58.5 | 0 | 0 | 0 | 0 | 110.9 | L53 V55 W63 V81 V82 R83 | V31-L53 HydrophobicContact CG2-CB 3.81Å; V31-L53 PolarHBondContact N-O 3.16Å; V31-L53 PolarHBondContact O-N 3.13Å; V31-V55 HydrophobicContact CB-CG2 4.43Å; V31-V55 HydrophobicContact CG1-CG2 3.58Å; V31-V55 HydrophobicContact CG2-CG2 3.98Å; V31-W63 HydrophobicContact CG1-CZ3 4.05Å; V31-V81 HydrophobicContact CB-CB 4.15Å; V31-V81 HydrophobicContact CG2-CB 4.1Å; V31-V81 HydrophobicContact CG2-CG1 4.18Å; V31-V82 CarbonylContact C-O 3.56Å; V31-V82 WeakPolarHBondContact CA-O 3.48Å; V31-V82 WeakPolarHBondContact CB-O 3.38Å; V31-R83 HydrophobicContact CG1-CG 4.15Å |
| 32 | V | 93.4 | Very high | 75.1 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 139.6 | 174.3 | 169.1 | 0 | 0 | 0 | 0 | 109.5 | E51 K52 V81 V82 V84 F90 L101 L180 | V32-E51 WeakPolarHBondContact CA-O 3.38Å; V32-K52 HydrophobicContact CG2-CG 3.99Å; V32-V81 WeakPolarHBondContact O-CA 3.42Å; V32-V82 HydrophobicContact CB-CG2 4.18Å; V32-V82 PolarHBondContact N-O 3.01Å; V32-V82 PolarHBondContact O-N 3.41Å; V32-V84 HydrophobicContact CB-CG2 3.89Å; V32-V84 HydrophobicContact CG2-CB 4.45Å; V32-V84 HydrophobicContact CG2-CG2 3.51Å; V32-F90 HydrophobicContact CB-CE1 4.09Å; V32-F90 HydrophobicContact CG1-CE1 4.19Å; V32-F90 HydrophobicContact CG2-CE1 4.06Å; V32-L101 HydrophobicContact CG1-CD2 4.27Å; V32-L180 HydrophobicContact CG1-CD1 3.58Å; V32-L180 HydrophobicContact CG2-CD1 4.23Å |
| 33 | V | 94 | Very high | 77.4 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 125.3 | 175.8 | -178.8 | 0 | 0 | 0 | 0 | 109.5 | D35 K48 G50 E51 L53 I76 | V33-D35 WeakPolarHBondContact CG1-O 3.38Å; V33-K48 WeakPolarHBondContact CB-O 3.37Å; V33-G50 PolarHBondContact O-N 3.46Å; V33-E51 HydrophobicContact CG2-CB 4.3Å; V33-E51 PolarHBondContact N-O 3.12Å; V33-L53 HydrophobicContact CG2-CD1 3.34Å; V33-L53 HydrophobicContact CG2-CD2 4.37Å; V33-L53 HydrophobicContact CG2-CG 3.77Å; V33-I76 HydrophobicContact CG1-CD1 4.43Å; V33-I76 HydrophobicContact CG2-CD1 4.22Å |
| 34 | I | 92.1 | Very high | 79.3 | Confident | 20 Ų | 20 | 73.3 Ų | 73.3 | 10% | 0.103 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -100.3 | -13 | -179 | 56.3 | 162.7 | 0 | 0 | 0 | 114.2 | M49 H80 V82 K97 L101 | I34-M49 WeakPolarHBondContact O-CE 3.27Å; I34-H80 VanDerWaalsContact CG1-O 3.31Å; I34-H80 WeakPolarHBondContact CG1-O 3.07Å; I34-H80 PolarHBondContact N-O 2.88Å; I34-V82 HydrophobicContact CD1-CG1 4.07Å; I34-V82 HydrophobicContact CG1-CG1 4.4Å; I34-V82 HydrophobicContact CG2-CB 4.12Å; I34-V82 HydrophobicContact CG2-CG1 3.53Å; I34-V82 HydrophobicContact CG2-CG2 3.51Å; I34-K97 PolarHBondContact O-NZ 2.89Å; I34-L101 HydrophobicContact CG2-CD1 4.44Å |
| 35 | D | 90.5 | Very high | 81.7 | Confident | 57 Ų | 57 | 64.7 Ų | 64.7 | 31% | 0.305 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -146.2 | 139.5 | -179.8 | -75.3 | -65.6 | 0 | 0 | 0 | 109.1 | V33 Y37 K97 | V33-D35 WeakPolarHBondContact CG1-O 3.38Å; D35-Y37 PolarHBondContact O-N 3.41Å; D35-K97 VanDerWaalsContact CG-NZ 3.3Å; D35-K97 IonicContact OD1-NZ 3.44Å; D35-K97 PolarHBondContact OD1-NZ 2.89Å; D35-K97 WeakPolarHBondContact OD2-CE 3.46Å; D35-K97 IonicContact OD2-NZ 2.72Å; D35-K97 PolarHBondContact OD2-NZ 2.72Å |
| 36 | D | 90.7 | Very high | 84 | Confident | 58 Ų | 58 | 66 Ų | 66 | 31% | 0.31 | 35% | 0.349 | S | S | . | . | trans | -58.1 | 127.2 | 177.5 | -74.5 | -8.9 | 0 | 0 | 0 | 110.3 | P45 K48 M49 | D36-P45 HydrophobicContact CB-CB 4.07Å; D36-K48 WeakPolarHBondContact OD1-CA 3.27Å; D36-M49 WeakPolarHBondContact OD1-CB 3.34Å; D36-M49 PolarHBondContact OD1-N 2.96Å | ||
| 37 | Y | 89.3 | Confident | 85.8 | Confident | 44 Ų | 44 | 63.5 Ų | 63.5 | 17% | 0.173 | 33% | 0.332 | C | S | . | . | B | Isolated β-bridge | trans | -132.7 | 131 | -176.5 | -176.6 | -94.4 | 0 | 0 | 0 | 112.7 | D35 P45 I46 Y47 W62 I76 P77 | D35-Y37 PolarHBondContact O-N 3.41Å; Y37-P45 CarbonylContact O-C 3.57Å; Y37-I46 PolarHBondContact O-N 3.43Å; Y37-Y47 HydrophobicContact CD1-CD2 4.44Å; Y37-Y47 PolarHBondContact N-O 3.32Å; Y37-Y47 PolarHBondContact O-N 3.43Å; Y37-W62 HydrophobicContact CE1-CZ3 4.5Å; Y37-W62 AromaticContact CZ-CZ3 3.96Å; Y37-W62 WeakPolarHBondContact OH-CH2 3.32Å; Y37-W62 VanDerWaalsContact OH-CZ3 3.23Å; Y37-W62 WeakPolarHBondContact OH-CZ3 3.35Å; Y37-I76 HydrophobicContact CD1-CB 4.45Å; Y37-I76 HydrophobicContact CD1-CD1 4.32Å; Y37-I76 HydrophobicContact CD1-CG1 3.94Å; Y37-I76 HydrophobicContact CG-CD1 4.3Å; Y37-I76 HydrophobicContact CG-CG1 4.08Å; Y37-P77 HydrophobicContact CD2-CG 4.46Å; Y37-P77 HydrophobicContact CE2-CG 3.91Å |
| 38 | P | 88.3 | Confident | 87.5 | Confident | 15 Ų | 15 | 63.9 Ų | 63.9 | 10% | 0.097 | 33% | 0.328 | C | S | . | . | S | Bend | cis | -63.3 | 158.3 | -12.5 | -20.4 | 34.1 | 0 | 0 | 0 | 111.6 | L40 S43 P45 I46 | P38-L40 PolarHBondContact O-N 2.77Å; P38-S43 WeakPolarHBondContact CB-OG 3.35Å; P38-S43 WeakPolarHBondContact CG-OG 3.46Å; P38-P45 WeakPolarHBondContact O-CA 3.34Å; P38-I46 HydrophobicContact CG-CD1 4.25Å |
| 39 | S | 85 | Confident | 88.9 | Confident | 55 Ų | 55 | 60.8 Ų | 60.8 | 39% | 0.385 | 31% | 0.31 | S | S | . | . | trans | -54.3 | 142.3 | 175.9 | -52.3 | 0 | 0 | 0 | 0 | 110.7 | E41 I42 S43 | S39-E41 PolarHBondContact O-N 3.38Å; S39-I42 PolarHBondContact O-N 3.22Å; S39-S43 PolarHBondContact O-N 3.37Å | ||
| 40 | L | 83.9 | Confident | 89.1 | Confident | 126 Ų | 126 | 59.5 Ų | 59.5 | 66% | 0.66 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -23.8 | 178.6 | -74.7 | 160.1 | 0 | 0 | 0 | 113.8 | P38 I42 S43 P45 | P38-L40 PolarHBondContact O-N 2.77Å; L40-I42 VanDerWaalsContact C-N 3.3Å; L40-S43 WeakPolarHBondContact CA-O 3.38Å; L40-P45 VanDerWaalsContact CD2-CD 3.47Å; L40-P45 HydrophobicContact CD2-CG 4Å; L40-P45 HydrophobicContact CG-CG 4.42Å |
| 41 | E | 81.1 | Confident | 89.1 | Confident | 192 Ų | 192 | 59.1 Ų | 59.1 | 90% | 0.897 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -26.7 | 176.1 | -62.6 | -176.5 | 172.9 | 0 | 0 | 113.4 | S39 | S39-E41 PolarHBondContact O-N 3.38Š|
| 42 | I | 84.3 | Confident | 89 | Confident | 139 Ų | 139 | 61.8 Ų | 61.8 | 71% | 0.713 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | -48.8 | -177.1 | -58.5 | 170.7 | 0 | 0 | 0 | 109.8 | S39 L40 | S39-I42 PolarHBondContact O-N 3.22Å; L40-I42 VanDerWaalsContact C-N 3.3Å |
| 43 | S | 88.4 | Confident | 89 | Confident | 52 Ų | 52 | 61.8 Ų | 61.8 | 36% | 0.364 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -160.8 | 174.5 | -179 | 69.8 | 0 | 0 | 0 | 0 | 111.7 | P38 S39 L40 | P38-S43 WeakPolarHBondContact CB-OG 3.35Å; P38-S43 WeakPolarHBondContact CG-OG 3.46Å; S39-S43 PolarHBondContact O-N 3.37Å; L40-S43 WeakPolarHBondContact CA-O 3.38Å |
| 44 | E | 86.8 | Confident | 89 | Confident | 173 Ų | 173 | 67.8 Ų | 67.8 | 81% | 0.808 | 34% | 0.339 | S | S | * | . | trans | -58.7 | 132.8 | 166.2 | -66.7 | -173.9 | 168.7 | 0 | 0 | 110.1 | I46 | E44-I46 PolarHBondContact O-N 3.3Š| ||
| 45 | P | 86.5 | Confident | 89.1 | Confident | 24 Ų | 24 | 67.4 Ų | 67.4 | 16% | 0.156 | 34% | 0.337 | C | S | . | . | trans | -67.4 | 124.4 | -178.7 | 24.1 | -32.5 | 0 | 0 | 0 | 109.8 | D36 Y37 P38 L40 Y47 K48 | D36-P45 HydrophobicContact CB-CB 4.07Å; Y37-P45 CarbonylContact O-C 3.57Å; P38-P45 WeakPolarHBondContact O-CA 3.34Å; L40-P45 VanDerWaalsContact CD2-CD 3.47Å; L40-P45 HydrophobicContact CD2-CG 4Å; L40-P45 HydrophobicContact CG-CG 4.42Å; P45-Y47 VanDerWaalsContact C-N 3.33Å; P45-K48 HydrophobicContact CG-CG 4.39Å | ||
| 46 | I | 89.4 | Confident | 89.2 | Confident | 82 Ų | 82 | 67.4 Ų | 67.4 | 42% | 0.421 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -70.5 | -39.2 | 174 | -59.3 | 168.9 | 0 | 0 | 0 | 109.2 | Y37 P38 E44 N74 | Y37-I46 PolarHBondContact O-N 3.43Å; P38-I46 HydrophobicContact CG-CD1 4.25Å; E44-I46 PolarHBondContact O-N 3.3Å; I46-N74 HydrophobicContact CG2-CB 4.26Å; I46-N74 WeakPolarHBondContact CG2-ND2 3.43Å |
| 47 | Y | 91 | Very high | 89.1 | Confident | 1 Ų | 1 | 66 Ų | 66 | 0% | 0.004 | 33% | 0.333 | C | S | . | . | B | Isolated β-bridge | trans | -121.4 | 131.2 | 178.3 | -62.5 | -54.1 | 0 | 0 | 0 | 109.8 | Y37 P45 L53 V65 N74 I76 | Y37-Y47 HydrophobicContact CD1-CD2 4.44Å; Y37-Y47 PolarHBondContact N-O 3.32Å; Y37-Y47 PolarHBondContact O-N 3.43Å; P45-Y47 VanDerWaalsContact C-N 3.33Å; Y47-L53 HydrophobicContact CD1-CD1 4.16Å; Y47-L53 HydrophobicContact CD1-CD2 3.6Å; Y47-L53 HydrophobicContact CD2-CD1 4.32Å; Y47-L53 HydrophobicContact CE1-CD1 4.31Å; Y47-L53 HydrophobicContact CE1-CD2 3.64Å; Y47-L53 HydrophobicContact CE2-CD1 4.44Å; Y47-L53 HydrophobicContact CG-CD1 4.15Å; Y47-L53 HydrophobicContact CG-CD2 4.36Å; Y47-V65 HydrophobicContact CE2-CG2 3.8Å; Y47-V65 PolarHBondContact OH-O 2.86Å; Y47-N74 HydrophobicContact CE2-CB 3.84Å; Y47-N74 WeakPolarHBondContact OH-CA 3.42Å; Y47-N74 VanDerWaalsContact OH-CB 3.27Å; Y47-N74 WeakPolarHBondContact OH-CB 3Å; Y47-N74 PolarHBondContact OH-N 3.24Å; Y47-N74 PolarHBondContact OH-ND2 3.02Å; Y47-I76 HydrophobicContact CD2-CB 4.31Å; Y47-I76 HydrophobicContact CD2-CD1 3.94Å; Y47-I76 HydrophobicContact CE2-CB 4.31Å |
| 48 | K | 90.7 | Very high | 89.1 | Confident | 130 Ų | 130 | 68.1 Ų | 68.1 | 57% | 0.565 | 34% | 0.344 | S | S | * | . | trans | -101.6 | 152.3 | 179.4 | -64.9 | -173.9 | 180 | -177.3 | 0 | 111.2 | V33 D36 P45 G50 E51 | V33-K48 WeakPolarHBondContact CB-O 3.37Å; D36-K48 WeakPolarHBondContact OD1-CA 3.27Å; P45-K48 HydrophobicContact CG-CG 4.39Å; K48-G50 PolarHBondContact O-N 2.95Å; K48-E51 PolarHBondContact N-OE2 3.23Å; K48-E51 WeakPolarHBondContact O-CB 3.29Å; K48-E51 PolarHBondContact O-N 3.43Å | ||
| 49 | M | 91.3 | Very high | 89 | Confident | 34 Ų | 34 | 72.6 Ų | 72.6 | 17% | 0.167 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 129.9 | 174.3 | -171.1 | -175.9 | -177.6 | 0 | 0 | 110.8 | I34 D36 E100 L101 L104 | I34-M49 WeakPolarHBondContact O-CE 3.27Å; D36-M49 WeakPolarHBondContact OD1-CB 3.34Å; D36-M49 PolarHBondContact OD1-N 2.96Å; M49-E100 HydrophobicContact CE-CB 3.35Å; M49-E100 HydrophobicContact CE-CG 4.47Å; M49-E100 HydrophobicContact SD-CB 4.27Å; M49-L101 HydrophobicContact CE-CD2 3.6Å; M49-L101 HydrophobicContact CE-CG 3.76Å; M49-L101 HydrophobicContact CG-CD2 4.04Å; M49-L104 HydrophobicContact CG-CD1 4.15Å; M49-L104 WeakPolarHBondContact O-CD1 3.39Å; M49-L104 HydrophobicContact SD-CD2 4.5Å |
| 50 | G | 89.7 | Confident | 89 | Confident | 14 Ų | 14 | 73.6 Ų | 73.6 | 14% | 0.144 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87 | -1.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | V33 K48 L180 | V33-G50 PolarHBondContact O-N 3.46Å; K48-G50 PolarHBondContact O-N 2.95Å; G50-L180 WeakPolarHBondContact O-CD1 3.42Å |
| 51 | E | 91.4 | Very high | 89.2 | Confident | 24 Ų | 24 | 76.1 Ų | 76.1 | 11% | 0.112 | 38% | 0.378 | C | S | . | . | trans | -72 | 136.6 | 174 | -166.9 | 170.6 | 172.1 | 0 | 0 | 110.9 | V32 V33 K48 L53 S67 | V32-E51 WeakPolarHBondContact CA-O 3.38Å; V33-E51 HydrophobicContact CG2-CB 4.3Å; V33-E51 PolarHBondContact N-O 3.12Å; K48-E51 PolarHBondContact N-OE2 3.23Å; K48-E51 WeakPolarHBondContact O-CB 3.29Å; K48-E51 PolarHBondContact O-N 3.43Å; E51-L53 HydrophobicContact CG-CD2 3.99Å; E51-S67 WeakPolarHBondContact OE1-CB 3.44Å; E51-S67 PolarHBondContact OE1-OG 3.28Å | ||
| 52 | K | 92.1 | Very high | 89.7 | Confident | 58 Ų | 58 | 72.6 Ų | 72.6 | 25% | 0.252 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 127.5 | 177.3 | -62.1 | -179.1 | -177.5 | 174.7 | 0 | 109.8 | V32 I68 L180 | V32-K52 HydrophobicContact CG2-CG 3.99Å; K52-I68 HydrophobicContact CB-CB 4.46Å; K52-I68 HydrophobicContact CB-CD1 3.84Å; K52-I68 HydrophobicContact CB-CG1 4.38Å; K52-I68 WeakPolarHBondContact O-CB 3.18Å; K52-I68 WeakPolarHBondContact O-CG1 3.37Å; K52-I68 PolarHBondContact O-N 3.46Å; K52-L180 WeakPolarHBondContact CE-O 3.44Å; K52-L180 PolarHBondContact NZ-O 2.9Å |
| 53 | L | 93.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 145.5 | -179.1 | -45.8 | 177.8 | 0 | 0 | 0 | 109.7 | V31 V33 Y47 E51 V65 R66 I76 V81 | V31-L53 HydrophobicContact CG2-CB 3.81Å; V31-L53 PolarHBondContact N-O 3.16Å; V31-L53 PolarHBondContact O-N 3.13Å; V33-L53 HydrophobicContact CG2-CD1 3.34Å; V33-L53 HydrophobicContact CG2-CD2 4.37Å; V33-L53 HydrophobicContact CG2-CG 3.77Å; Y47-L53 HydrophobicContact CD1-CD1 4.16Å; Y47-L53 HydrophobicContact CD1-CD2 3.6Å; Y47-L53 HydrophobicContact CD2-CD1 4.32Å; Y47-L53 HydrophobicContact CE1-CD1 4.31Å; Y47-L53 HydrophobicContact CE1-CD2 3.64Å; Y47-L53 HydrophobicContact CE2-CD1 4.44Å; Y47-L53 HydrophobicContact CG-CD1 4.15Å; Y47-L53 HydrophobicContact CG-CD2 4.36Å; E51-L53 HydrophobicContact CG-CD2 3.99Å; L53-V65 HydrophobicContact CB-CB 4.08Å; L53-V65 HydrophobicContact CB-CG2 4.44Å; L53-V65 HydrophobicContact CD1-CB 4.19Å; L53-V65 HydrophobicContact CD1-CG2 3.7Å; L53-R66 CarbonylContact C-O 3.56Å; L53-R66 WeakPolarHBondContact CA-O 3.4Å; L53-I76 HydrophobicContact CD1-CD1 4.39Å; L53-V81 HydrophobicContact CD1-CG1 4.41Å |
| 54 | R | 93.5 | Very high | 90.3 | Very high | 126 Ų | 126 | 69.1 Ų | 69.1 | 48% | 0.475 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 129.1 | 169.6 | -175.7 | 176.1 | -68 | 177.1 | -2.4 | 109.1 | V65 R66 I68 | R54-V65 CarbonylContact O-C 3.54Å; R54-V65 VanDerWaalsContact O-CA 3.31Å; R54-V65 WeakPolarHBondContact O-CA 3.33Å; R54-R66 PolarHBondContact N-O 2.95Å; R54-R66 PolarHBondContact O-N 3.29Å; R54-I68 HydrophobicContact CB-CG1 4.46Å |
| 55 | V | 93.3 | Very high | 90.7 | Very high | 11 Ų | 11 | 60.9 Ų | 60.9 | 7% | 0.067 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 130.4 | 176.1 | -175.5 | 0 | 0 | 0 | 0 | 109.6 | D29 V31 Q58 W63 V65 | D29-V55 HydrophobicContact CB-CB 4.13Å; D29-V55 PolarHBondContact O-N 2.99Å; V31-V55 HydrophobicContact CB-CG2 4.43Å; V31-V55 HydrophobicContact CG1-CG2 3.58Å; V31-V55 HydrophobicContact CG2-CG2 3.98Å; V55-Q58 HydrophobicContact CG1-CG 3.49Å; V55-Q58 VanDerWaalsContact CG1-CG 3.49Å; V55-W63 HydrophobicContact CG1-CE3 4.43Å; V55-W63 HydrophobicContact CG2-CE3 3.98Å; V55-W63 HydrophobicContact CG2-CZ3 4.32Å; V55-V65 HydrophobicContact CG2-CG1 4.32Å |
| 56 | I | 92.4 | Very high | 91 | Very high | 57 Ų | 57 | 65.2 Ų | 65.2 | 29% | 0.292 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | -46.3 | 174.8 | -63.5 | 168.3 | 0 | 0 | 0 | 110 | R64 R66 E73 | I56-R64 HydrophobicContact CB-CB 4.47Å; I56-R64 HydrophobicContact CB-CG 4.3Å; I56-R64 WeakPolarHBondContact CB-O 3.32Å; I56-R64 HydrophobicContact CD1-CG 4.48Å; I56-R64 PolarHBondContact N-O 3.44Å; I56-R66 HydrophobicContact CD1-CB 3.76Å; I56-R66 HydrophobicContact CG1-CB 4.3Å; I56-E73 HydrophobicContact CD1-CB 4.47Å; I56-E73 HydrophobicContact CD1-CG 3.69Å; I56-E73 WeakPolarHBondContact CD1-OE1 3.48Å |
| 57 | A | 90.2 | Very high | 91.2 | Very high | 28 Ų | 28 | 61.4 Ų | 61.4 | 23% | 0.231 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 135.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | W63 R64 | A57-W63 CarbonylContact O-C 3.57Å; A57-W63 WeakPolarHBondContact O-CA 3.38Å; A57-R64 HydrophobicContact CB-CB 4.01Å; A57-R64 PolarHBondContact N-O 2.74Å; A57-R64 VanDerWaalsContact N-O 3.15Å; A57-R64 PolarHBondContact O-N 3.41Å |
| 58 | Q | 87.9 | Confident | 91.1 | Very high | 89 Ų | 89 | 65 Ų | 65 | 42% | 0.416 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 91.6 | 178.2 | -64 | -179.2 | 15.4 | 0 | 0 | 109.3 | V55 A60 W63 | V55-Q58 HydrophobicContact CG1-CG 3.49Å; V55-Q58 VanDerWaalsContact CG1-CG 3.49Å; Q58-A60 PolarHBondContact O-N 3.49Å; Q58-W63 HydrophobicContact CG-CD2 4.13Å; Q58-W63 HydrophobicContact CG-CG 4.42Å |
| 59 | E | 86.6 | Confident | 90.9 | Very high | 110 Ų | 110 | 64.7 Ų | 64.7 | 51% | 0.514 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 79.4 | 178.4 | -64.9 | 172.7 | -166.1 | 0 | 0 | 110.2 | Y61 W62 | E59-Y61 PolarHBondContact O-N 2.87Å; E59-W62 CarbonylContact C-O 3.54Å; E59-W62 WeakPolarHBondContact CA-O 3.2Å; E59-W62 VanDerWaalsContact CB-O 3.29Å; E59-W62 WeakPolarHBondContact CB-O 3.1Å; E59-W62 PolarHBondContact N-O 2.98Å; E59-W62 VanDerWaalsContact N-O 3.07Å; E59-W62 PolarHBondContact O-N 3.18Å |
| 60 | A | 85.3 | Confident | 90.7 | Very high | 76 Ų | 76 | 66.9 Ų | 66.9 | 63% | 0.628 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49 | -95.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q58 W63 N78 | Q58-A60 PolarHBondContact O-N 3.49Å; A60-W63 PolarHBondContact O-NE1 2.96Å; A60-N78 PolarHBondContact O-ND2 2.85Å |
| 61 | Y | 87.6 | Confident | 90.7 | Very high | 179 Ų | 179 | 68.2 Ų | 68.2 | 70% | 0.702 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -25.8 | -179.2 | -71.4 | -79.1 | 0 | 0 | 0 | 114.1 | E59 P77 N78 | E59-Y61 PolarHBondContact O-N 2.87Å; Y61-P77 CarbonylContact O-C 3.51Å; Y61-P77 VanDerWaalsContact O-CA 3.3Å; Y61-P77 WeakPolarHBondContact O-CA 3.49Å; Y61-N78 PolarHBondContact O-N 3.41Å |
| 62 | W | 91.8 | Very high | 90.6 | Very high | 118 Ų | 118 | 73.7 Ų | 73.7 | 45% | 0.447 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 122.4 | -176 | -71.7 | 94.6 | 0 | 0 | 0 | 110.1 | Y37 E59 Y75 P77 | Y37-W62 HydrophobicContact CE1-CZ3 4.5Å; Y37-W62 AromaticContact CZ-CZ3 3.96Å; Y37-W62 WeakPolarHBondContact OH-CH2 3.32Å; Y37-W62 VanDerWaalsContact OH-CZ3 3.23Å; Y37-W62 WeakPolarHBondContact OH-CZ3 3.35Å; E59-W62 CarbonylContact C-O 3.54Å; E59-W62 WeakPolarHBondContact CA-O 3.2Å; E59-W62 VanDerWaalsContact CB-O 3.29Å; E59-W62 WeakPolarHBondContact CB-O 3.1Å; E59-W62 PolarHBondContact N-O 2.98Å; E59-W62 VanDerWaalsContact N-O 3.07Å; E59-W62 PolarHBondContact O-N 3.18Å; W62-Y75 HydrophobicContact CB-CD1 4.46Å; W62-P77 HydrophobicContact CE3-CG 4.03Å; W62-P77 HydrophobicContact CH2-CG 3.75Å; W62-P77 HydrophobicContact CZ2-CG 4.25Å; W62-P77 HydrophobicContact CZ3-CG 3.62Å |
| 63 | W | 93 | Very high | 90.7 | Very high | 26 Ų | 26 | 74.1 Ų | 74.1 | 10% | 0.098 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 130.8 | 179.8 | -66.8 | 6 | 0 | 0 | 0 | 108.9 | V31 V55 A57 Q58 A60 V65 Y75 I76 N78 V81 | V31-W63 HydrophobicContact CG1-CZ3 4.05Å; V55-W63 HydrophobicContact CG1-CE3 4.43Å; V55-W63 HydrophobicContact CG2-CE3 3.98Å; V55-W63 HydrophobicContact CG2-CZ3 4.32Å; A57-W63 CarbonylContact O-C 3.57Å; A57-W63 WeakPolarHBondContact O-CA 3.38Å; Q58-W63 HydrophobicContact CG-CD2 4.13Å; Q58-W63 HydrophobicContact CG-CG 4.42Å; A60-W63 PolarHBondContact O-NE1 2.96Å; W63-V65 HydrophobicContact CB-CG1 4.06Å; W63-Y75 WeakPolarHBondContact O-CA 3.35Å; W63-I76 PolarHBondContact N-O 3.29Å; W63-I76 PolarHBondContact O-N 3.42Å; W63-N78 HydrophobicContact CD2-CB 4.11Å; W63-N78 HydrophobicContact CG-CB 4.41Å; W63-N78 HydrophobicContact CZ2-CB 3.89Å; W63-V81 HydrophobicContact CE3-CG2 3.96Å; W63-V81 HydrophobicContact CZ3-CG2 4.11Å |
| 64 | R | 92.8 | Very high | 90.6 | Very high | 92 Ų | 92 | 76.6 Ų | 76.6 | 35% | 0.347 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 120 | 168.4 | -171.1 | 178.2 | 173.3 | 177.2 | -1.7 | 107.5 | I56 A57 E73 Y75 | I56-R64 HydrophobicContact CB-CB 4.47Å; I56-R64 HydrophobicContact CB-CG 4.3Å; I56-R64 WeakPolarHBondContact CB-O 3.32Å; I56-R64 HydrophobicContact CD1-CG 4.48Å; I56-R64 PolarHBondContact N-O 3.44Å; A57-R64 HydrophobicContact CB-CB 4.01Å; A57-R64 PolarHBondContact N-O 2.74Å; A57-R64 VanDerWaalsContact N-O 3.15Å; A57-R64 PolarHBondContact O-N 3.41Å; R64-E73 IonicContact CZ-OE2 2.89Å; R64-E73 IonicContact NE-OE2 3.39Å; R64-E73 PolarHBondContact NE-OE2 3.29Å; R64-E73 IonicContact NH2-OE2 2.6Å; R64-E73 PolarHBondContact NH2-OE2 3.11Å; R64-Y75 HydrophobicContact CB-CD1 4.08Å; R64-Y75 HydrophobicContact CB-CE1 3.73Å; R64-Y75 HydrophobicContact CG-CE1 4.24Å; R64-Y75 HydrophobicContact CG-CE2 4.44Å |
| 65 | V | 94.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 152.4 | -173.2 | -63.2 | 0 | 0 | 0 | 0 | 110.3 | Y47 L53 R54 V55 W63 E73 N74 I76 | Y47-V65 HydrophobicContact CE2-CG2 3.8Å; Y47-V65 PolarHBondContact OH-O 2.86Å; L53-V65 HydrophobicContact CB-CB 4.08Å; L53-V65 HydrophobicContact CB-CG2 4.44Å; L53-V65 HydrophobicContact CD1-CB 4.19Å; L53-V65 HydrophobicContact CD1-CG2 3.7Å; R54-V65 CarbonylContact O-C 3.54Å; R54-V65 VanDerWaalsContact O-CA 3.31Å; R54-V65 WeakPolarHBondContact O-CA 3.33Å; V55-V65 HydrophobicContact CG2-CG1 4.32Å; W63-V65 HydrophobicContact CB-CG1 4.06Å; V65-E73 WeakPolarHBondContact O-CA 3.36Å; V65-N74 WeakPolarHBondContact CG2-O 3.27Å; V65-N74 PolarHBondContact N-O 3.42Å; V65-N74 PolarHBondContact O-N 2.7Å; V65-N74 VanDerWaalsContact O-O 3.08Å; V65-I76 HydrophobicContact CB-CG2 4.34Å; V65-I76 HydrophobicContact CG1-CG2 3.81Å; V65-I76 HydrophobicContact CG2-CB 4.22Å; V65-I76 HydrophobicContact CG2-CG2 3.53Å |
| 66 | R | 93.9 | Very high | 90.5 | Very high | 114 Ų | 114 | 74.9 Ų | 74.9 | 43% | 0.43 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 126.4 | 174.6 | -171.1 | -175.1 | -73.5 | -178 | -2.4 | 109.7 | L53 R54 I56 I68 K72 E73 | L53-R66 CarbonylContact C-O 3.56Å; L53-R66 WeakPolarHBondContact CA-O 3.4Å; R54-R66 PolarHBondContact N-O 2.95Å; R54-R66 PolarHBondContact O-N 3.29Å; I56-R66 HydrophobicContact CD1-CB 3.76Å; I56-R66 HydrophobicContact CG1-CB 4.3Å; R66-I68 PolarHBondContact O-N 3.4Å; R66-K72 CarbonylContact C-O 3.58Å; R66-K72 WeakPolarHBondContact CA-O 3.31Å; R66-E73 HydrophobicContact CB-CG 3.97Å; R66-E73 HydrophobicContact CG-CG 3.83Å; R66-E73 IonicContact CZ-OE1 3.15Å; R66-E73 IonicContact NE-OE1 2.89Å; R66-E73 PolarHBondContact NE-OE1 3.28Å; R66-E73 IonicContact NH2-OE1 2.62Å; R66-E73 PolarHBondContact NH2-OE1 3.08Å |
| 67 | S | 92.4 | Very high | 90.5 | Very high | 2 Ų | 2 | 73 Ų | 73 | 1% | 0.014 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 130 | 171 | 167.4 | 0 | 0 | 0 | 0 | 110.8 | E51 D69 T70 G71 K72 | E51-S67 WeakPolarHBondContact OE1-CB 3.44Å; E51-S67 PolarHBondContact OE1-OG 3.28Å; S67-D69 VanDerWaalsContact C-N 3.29Å; S67-D69 PolarHBondContact OG-N 3.02Å; S67-T70 WeakPolarHBondContact CB-OG1 3.39Å; S67-T70 PolarHBondContact OG-N 3.48Å; S67-T70 PolarHBondContact OG-OG1 3.44Å; S67-G71 WeakPolarHBondContact O-CA 3.34Å; S67-G71 PolarHBondContact O-N 3.43Å; S67-K72 PolarHBondContact N-O 2.74Å |
| 68 | I | 89.5 | Confident | 90.5 | Very high | 78 Ų | 78 | 74.3 Ų | 74.3 | 40% | 0.4 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -31.8 | 177.5 | -62.2 | -178.2 | 0 | 0 | 0 | 110.4 | I30 K52 R54 R66 | I30-I68 HydrophobicContact CG2-CD1 4.4Å; K52-I68 HydrophobicContact CB-CB 4.46Å; K52-I68 HydrophobicContact CB-CD1 3.84Å; K52-I68 HydrophobicContact CB-CG1 4.38Å; K52-I68 WeakPolarHBondContact O-CB 3.18Å; K52-I68 WeakPolarHBondContact O-CG1 3.37Å; K52-I68 PolarHBondContact O-N 3.46Å; R54-I68 HydrophobicContact CB-CG1 4.46Å; R66-I68 PolarHBondContact O-N 3.4Å |
| 69 | D | 86.5 | Confident | 90.6 | Very high | 122 Ų | 122 | 73.6 Ų | 73.6 | 65% | 0.652 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -45.2 | -177.5 | -64.6 | -49.2 | 0 | 0 | 0 | 112.6 | S67 | S67-D69 VanDerWaalsContact C-N 3.29Å; S67-D69 PolarHBondContact OG-N 3.02Å |
| 70 | T | 87.8 | Confident | 90.8 | Very high | 80 Ų | 80 | 70.5 Ų | 70.5 | 49% | 0.491 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -15.4 | -174.7 | 68 | 0 | 0 | 0 | 0 | 113.6 | S67 K72 | S67-T70 WeakPolarHBondContact CB-OG1 3.39Å; S67-T70 PolarHBondContact OG-N 3.48Å; S67-T70 PolarHBondContact OG-OG1 3.44Å; T70-K72 PolarHBondContact O-N 3.11Å; T70-K72 VanDerWaalsContact O-N 3.14Å; T70-K72 PolarHBondContact OG1-N 3.22Å |
| 71 | G | 88.5 | Confident | 91.2 | Very high | 43 Ų | 43 | 67.5 Ų | 67.5 | 44% | 0.443 | 33% | 0.325 | S | S | . | . | trans | 68.1 | 1.9 | -174 | 0 | 0 | 0 | 0 | 0 | 114.5 | S67 | S67-G71 WeakPolarHBondContact O-CA 3.34Å; S67-G71 PolarHBondContact O-N 3.43Å | ||
| 72 | K | 89.8 | Confident | 91.4 | Very high | 139 Ų | 139 | 59.4 Ų | 59.4 | 60% | 0.604 | 30% | 0.295 | S | S | * | . | trans | -75.8 | 141.6 | -179 | -66.1 | -179.2 | -179.5 | 178.1 | 0 | 110.9 | R66 S67 T70 | R66-K72 CarbonylContact C-O 3.58Å; R66-K72 WeakPolarHBondContact CA-O 3.31Å; S67-K72 PolarHBondContact N-O 2.74Å; T70-K72 PolarHBondContact O-N 3.11Å; T70-K72 VanDerWaalsContact O-N 3.14Å; T70-K72 PolarHBondContact OG1-N 3.22Å | ||
| 73 | E | 93.5 | Very high | 91.4 | Very high | 66 Ų | 66 | 57.5 Ų | 57.5 | 31% | 0.308 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 129.3 | 176.7 | -63.3 | -176 | -176.4 | 0 | 0 | 110.9 | I56 R64 V65 R66 | I56-E73 HydrophobicContact CD1-CB 4.47Å; I56-E73 HydrophobicContact CD1-CG 3.69Å; I56-E73 WeakPolarHBondContact CD1-OE1 3.48Å; R64-E73 IonicContact CZ-OE2 2.89Å; R64-E73 IonicContact NE-OE2 3.39Å; R64-E73 PolarHBondContact NE-OE2 3.29Å; R64-E73 IonicContact NH2-OE2 2.6Å; R64-E73 PolarHBondContact NH2-OE2 3.11Å; V65-E73 WeakPolarHBondContact O-CA 3.36Å; R66-E73 HydrophobicContact CB-CG 3.97Å; R66-E73 HydrophobicContact CG-CG 3.83Å; R66-E73 IonicContact CZ-OE1 3.15Å; R66-E73 IonicContact NE-OE1 2.89Å; R66-E73 PolarHBondContact NE-OE1 3.28Å; R66-E73 IonicContact NH2-OE1 2.62Å; R66-E73 PolarHBondContact NH2-OE1 3.08Å |
| 74 | N | 92.8 | Very high | 91.3 | Very high | 53 Ų | 53 | 56.6 Ų | 56.6 | 28% | 0.283 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 174.2 | 173.2 | -56.4 | -87.6 | 0 | 0 | 0 | 109.7 | I46 Y47 V65 | I46-N74 HydrophobicContact CG2-CB 4.26Å; I46-N74 WeakPolarHBondContact CG2-ND2 3.43Å; Y47-N74 HydrophobicContact CE2-CB 3.84Å; Y47-N74 WeakPolarHBondContact OH-CA 3.42Å; Y47-N74 VanDerWaalsContact OH-CB 3.27Å; Y47-N74 WeakPolarHBondContact OH-CB 3Å; Y47-N74 PolarHBondContact OH-N 3.24Å; Y47-N74 PolarHBondContact OH-ND2 3.02Å; V65-N74 WeakPolarHBondContact CG2-O 3.27Å; V65-N74 PolarHBondContact N-O 3.42Å; V65-N74 PolarHBondContact O-N 2.7Å; V65-N74 VanDerWaalsContact O-O 3.08Å |
| 75 | Y | 91.9 | Very high | 91.2 | Very high | 100 Ų | 100 | 55.1 Ų | 55.1 | 39% | 0.392 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 142.8 | 174.9 | -70 | -94.5 | 0 | 0 | 0 | 110.9 | W62 W63 R64 | W62-Y75 HydrophobicContact CB-CD1 4.46Å; W63-Y75 WeakPolarHBondContact O-CA 3.35Å; R64-Y75 HydrophobicContact CB-CD1 4.08Å; R64-Y75 HydrophobicContact CB-CE1 3.73Å; R64-Y75 HydrophobicContact CG-CE1 4.24Å; R64-Y75 HydrophobicContact CG-CE2 4.44Å |
| 76 | I | 92.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 142.9 | 173.2 | -168.6 | 163.6 | 0 | 0 | 0 | 109.6 | V33 Y37 Y47 L53 W63 V65 H80 V81 | V33-I76 HydrophobicContact CG1-CD1 4.43Å; V33-I76 HydrophobicContact CG2-CD1 4.22Å; Y37-I76 HydrophobicContact CD1-CB 4.45Å; Y37-I76 HydrophobicContact CD1-CD1 4.32Å; Y37-I76 HydrophobicContact CD1-CG1 3.94Å; Y37-I76 HydrophobicContact CG-CD1 4.3Å; Y37-I76 HydrophobicContact CG-CG1 4.08Å; Y47-I76 HydrophobicContact CD2-CB 4.31Å; Y47-I76 HydrophobicContact CD2-CD1 3.94Å; Y47-I76 HydrophobicContact CE2-CB 4.31Å; L53-I76 HydrophobicContact CD1-CD1 4.39Å; W63-I76 PolarHBondContact N-O 3.29Å; W63-I76 PolarHBondContact O-N 3.42Å; V65-I76 HydrophobicContact CB-CG2 4.34Å; V65-I76 HydrophobicContact CG1-CG2 3.81Å; V65-I76 HydrophobicContact CG2-CB 4.22Å; V65-I76 HydrophobicContact CG2-CG2 3.53Å; I76-H80 HydrophobicContact CD1-CB 4.07Å; I76-H80 HydrophobicContact CG1-CB 4.09Å; I76-V81 HydrophobicContact CD1-CG1 3.58Å; I76-V81 HydrophobicContact CG1-CG1 4.08Å; I76-V81 HydrophobicContact CG2-CG1 3.72Å |
| 77 | P | 92.1 | Very high | 90.7 | Very high | 17 Ų | 17 | 57.5 Ų | 57.5 | 11% | 0.11 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 143.1 | 171.7 | -20.2 | 32.6 | 0 | 0 | 0 | 111.4 | Y37 Y61 W62 S79 H80 | Y37-P77 HydrophobicContact CD2-CG 4.46Å; Y37-P77 HydrophobicContact CE2-CG 3.91Å; Y61-P77 CarbonylContact O-C 3.51Å; Y61-P77 VanDerWaalsContact O-CA 3.3Å; Y61-P77 WeakPolarHBondContact O-CA 3.49Å; W62-P77 HydrophobicContact CE3-CG 4.03Å; W62-P77 HydrophobicContact CH2-CG 3.75Å; W62-P77 HydrophobicContact CZ2-CG 4.25Å; W62-P77 HydrophobicContact CZ3-CG 3.62Å; P77-S79 PolarHBondContact O-N 3.37Å; P77-S79 VanDerWaalsContact O-N 3.07Å; P77-H80 PolarHBondContact O-N 3.05Å; P77-H80 VanDerWaalsContact O-N 3.13Å |
| 78 | N | 89.3 | Confident | 90.7 | Very high | 57 Ų | 57 | 58.5 Ų | 58.5 | 31% | 0.305 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -60.1 | -21.1 | 177.9 | 70.6 | 14.7 | 0 | 0 | 0 | 113.6 | A60 Y61 W63 H80 V81 | A60-N78 PolarHBondContact O-ND2 2.85Å; Y61-N78 PolarHBondContact O-N 3.41Å; W63-N78 HydrophobicContact CD2-CB 4.11Å; W63-N78 HydrophobicContact CG-CB 4.41Å; W63-N78 HydrophobicContact CZ2-CB 3.89Å; N78-H80 VanDerWaalsContact C-N 3.31Å; N78-H80 PolarHBondContact O-N 2.88Å; N78-V81 WeakPolarHBondContact O-CG2 3.12Å; N78-V81 VanDerWaalsContact O-O 3.14Å |
| 79 | S | 90.7 | Very high | 90.9 | Very high | 74 Ų | 74 | 55.9 Ų | 55.9 | 52% | 0.517 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -74.4 | -19 | -180 | 57.3 | 0 | 0 | 0 | 0 | 114 | P77 | P77-S79 PolarHBondContact O-N 3.37Å; P77-S79 VanDerWaalsContact O-N 3.07Å |
| 80 | H | 91.2 | Very high | 91.2 | Very high | 45 Ų | 45 | 50.2 Ų | 50.2 | 21% | 0.208 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -98.9 | 1.8 | -178.2 | -66.9 | 64.1 | 0 | 0 | 0 | 112.3 | I34 I76 P77 N78 | I34-H80 VanDerWaalsContact CG1-O 3.31Å; I34-H80 WeakPolarHBondContact CG1-O 3.07Å; I34-H80 PolarHBondContact N-O 2.88Å; I76-H80 HydrophobicContact CD1-CB 4.07Å; I76-H80 HydrophobicContact CG1-CB 4.09Å; P77-H80 PolarHBondContact O-N 3.05Å; P77-H80 VanDerWaalsContact O-N 3.13Å; N78-H80 VanDerWaalsContact C-N 3.31Å; N78-H80 PolarHBondContact O-N 2.88Å |
| 81 | V | 92.4 | Very high | 91.4 | Very high | 12 Ų | 12 | 48.8 Ų | 48.8 | 7% | 0.073 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 148.2 | -178.3 | -65.7 | 0 | 0 | 0 | 0 | 110.9 | V31 V32 L53 W63 I76 N78 | V31-V81 HydrophobicContact CB-CB 4.15Å; V31-V81 HydrophobicContact CG2-CB 4.1Å; V31-V81 HydrophobicContact CG2-CG1 4.18Å; V32-V81 WeakPolarHBondContact O-CA 3.42Å; L53-V81 HydrophobicContact CD1-CG1 4.41Å; W63-V81 HydrophobicContact CE3-CG2 3.96Å; W63-V81 HydrophobicContact CZ3-CG2 4.11Å; I76-V81 HydrophobicContact CD1-CG1 3.58Å; I76-V81 HydrophobicContact CG1-CG1 4.08Å; I76-V81 HydrophobicContact CG2-CG1 3.72Å; N78-V81 WeakPolarHBondContact O-CG2 3.12Å; N78-V81 VanDerWaalsContact O-O 3.14Å |
| 82 | V | 92.3 | Very high | 91.2 | Very high | 10 Ų | 10 | 48.6 Ų | 48.6 | 6% | 0.061 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 143.8 | 175.5 | -64.7 | 0 | 0 | 0 | 0 | 110 | V31 V32 I34 F90 E91 V93 | V31-V82 CarbonylContact C-O 3.56Å; V31-V82 WeakPolarHBondContact CA-O 3.48Å; V31-V82 WeakPolarHBondContact CB-O 3.38Å; V32-V82 HydrophobicContact CB-CG2 4.18Å; V32-V82 PolarHBondContact N-O 3.01Å; V32-V82 PolarHBondContact O-N 3.41Å; I34-V82 HydrophobicContact CD1-CG1 4.07Å; I34-V82 HydrophobicContact CG1-CG1 4.4Å; I34-V82 HydrophobicContact CG2-CB 4.12Å; I34-V82 HydrophobicContact CG2-CG1 3.53Å; I34-V82 HydrophobicContact CG2-CG2 3.51Å; V82-F90 HydrophobicContact CG2-CD1 3.97Å; V82-E91 WeakPolarHBondContact CB-O 3.14Å; V82-V93 HydrophobicContact CB-CG2 3.87Å; V82-V93 HydrophobicContact CG1-CG2 3.77Å; V82-V93 HydrophobicContact CG2-CG2 3.62Å |
| 83 | R | 91.6 | Very high | 91.3 | Very high | 78 Ų | 78 | 42.1 Ų | 42.1 | 29% | 0.294 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 139.2 | 178.1 | -66.6 | -180 | 177.6 | -170.3 | -3.9 | 110.1 | V31 Y85 E91 | V31-R83 HydrophobicContact CG1-CG 4.15Å; R83-Y85 HydrophobicContact CB-CE2 4.03Å; R83-E91 HydrophobicContact CB-CB 4.3Å; R83-E91 PolarHBondContact O-N 3.18Å |
| 84 | V | 91.8 | Very high | 91.2 | Very high | 6 Ų | 6 | 40.3 Ų | 40.3 | 4% | 0.036 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 120.1 | 178.7 | -176.4 | 0 | 0 | 0 | 0 | 109.9 | I30 V32 L89 F90 | I30-V84 PolarHBondContact O-N 3.46Å; V32-V84 HydrophobicContact CB-CG2 3.89Å; V32-V84 HydrophobicContact CG2-CB 4.45Å; V32-V84 HydrophobicContact CG2-CG2 3.51Å; V84-L89 CarbonylContact C-O 3.46Å; V84-L89 VanDerWaalsContact CA-O 3.29Å; V84-L89 WeakPolarHBondContact CA-O 3.41Å; V84-F90 HydrophobicContact CG1-CD2 4.26Å; V84-F90 HydrophobicContact CG1-CE2 3.98Å; V84-F90 HydrophobicContact CG1-CZ 4.12Å; V84-F90 HydrophobicContact CG2-CD1 3.55Å; V84-F90 HydrophobicContact CG2-CD2 4.41Å; V84-F90 HydrophobicContact CG2-CE1 3.5Å; V84-F90 HydrophobicContact CG2-CE2 4.35Å; V84-F90 HydrophobicContact CG2-CG 4.02Å; V84-F90 HydrophobicContact CG2-CZ 3.92Å |
| 85 | Y | 90.2 | Very high | 91.1 | Very high | 61 Ų | 61 | 44.8 Ų | 44.8 | 24% | 0.239 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 141.5 | 176.5 | -58 | -78.3 | 0 | 0 | 0 | 110 | R83 G87 W88 L89 E91 | R83-Y85 HydrophobicContact CB-CE2 4.03Å; Y85-G87 PolarHBondContact O-N 2.62Å; Y85-W88 PolarHBondContact O-N 3.41Å; Y85-L89 HydrophobicContact CD2-CD2 4.46Å; Y85-L89 PolarHBondContact N-O 3.01Å; Y85-L89 WeakPolarHBondContact O-CB 3.42Å; Y85-L89 PolarHBondContact O-N 2.72Å; Y85-E91 HydrophobicContact CE2-CB 4.28Å |
| 86 | H | 88.7 | Confident | 91.2 | Very high | 135 Ų | 135 | 45.7 Ų | 45.7 | 63% | 0.625 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 13.5 | -179.5 | -53.8 | -74.8 | 0 | 0 | 0 | 115.2 | W88 | H86-W88 HydrophobicContact CB-CD2 4.42Å; H86-W88 HydrophobicContact CB-CZ2 3.95Å; H86-W88 PolarHBondContact O-N 2.68Å; H86-W88 PolarHBondContact O-NE1 3.14Å |
| 87 | G | 89.3 | Confident | 91.2 | Very high | 29 Ų | 29 | 47.9 Ų | 47.9 | 30% | 0.299 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | -7.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | Y85 P178 | Y85-G87 PolarHBondContact O-N 2.62Å; G87-P178 WeakPolarHBondContact O-CB 3.16Å |
| 88 | W | 93.1 | Very high | 91.2 | Very high | 24 Ų | 24 | 47 Ų | 47 | 9% | 0.091 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.8 | -13.4 | -177.7 | 52.1 | -100 | 0 | 0 | 0 | 114.6 | Y85 H86 F90 F112 V114 L157 E158 I161 P178 | Y85-W88 PolarHBondContact O-N 3.41Å; H86-W88 HydrophobicContact CB-CD2 4.42Å; H86-W88 HydrophobicContact CB-CZ2 3.95Å; H86-W88 PolarHBondContact O-N 2.68Å; H86-W88 PolarHBondContact O-NE1 3.14Å; W88-F90 WeakPolarHBondContact O-CD2 3.38Å; W88-F112 HydrophobicContact CB-CE2 3.77Å; W88-F112 HydrophobicContact CB-CZ 4.27Å; W88-F112 HydrophobicContact CG-CE2 4.14Å; W88-V114 HydrophobicContact CE3-CB 3.91Å; W88-V114 HydrophobicContact CE3-CG2 3.68Å; W88-V114 HydrophobicContact CZ3-CB 4.08Å; W88-V114 HydrophobicContact CZ3-CG2 3.88Å; W88-V114 PolarHBondContact O-N 3.11Å; W88-L157 HydrophobicContact CH2-CB 3.71Å; W88-L157 HydrophobicContact CZ3-CB 4.05Å; W88-L157 HydrophobicContact CZ3-CD1 4.49Å; W88-E158 HydrophobicContact CZ2-CB 4.33Å; W88-I161 HydrophobicContact CD2-CG1 4.38Å; W88-I161 HydrophobicContact CE3-CG1 4.17Å; W88-I161 HydrophobicContact CH2-CG1 4.4Å; W88-I161 HydrophobicContact CZ3-CG1 4.18Å; W88-P178 HydrophobicContact CB-CB 3.97Å; W88-P178 HydrophobicContact CB-CG 4.24Å |
| 89 | L | 93.3 | Very high | 91.5 | Very high | 23 Ų | 23 | 46.3 Ų | 46.3 | 12% | 0.12 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 113.3 | 178.7 | 177.5 | 62.4 | 0 | 0 | 0 | 110.3 | V84 Y85 V114 Y124 L157 | V84-L89 CarbonylContact C-O 3.46Å; V84-L89 VanDerWaalsContact CA-O 3.29Å; V84-L89 WeakPolarHBondContact CA-O 3.41Å; Y85-L89 HydrophobicContact CD2-CD2 4.46Å; Y85-L89 PolarHBondContact N-O 3.01Å; Y85-L89 WeakPolarHBondContact O-CB 3.42Å; Y85-L89 PolarHBondContact O-N 2.72Å; L89-V114 CarbonylContact C-O 3.59Å; L89-V114 WeakPolarHBondContact CA-O 3.27Å; L89-V114 HydrophobicContact CD1-CB 4.01Å; L89-V114 HydrophobicContact CD1-CG1 3.73Å; L89-Y124 HydrophobicContact CD1-CD1 4Å; L89-Y124 HydrophobicContact CD1-CE1 3.99Å; L89-L157 HydrophobicContact CD1-CD1 4.43Å |
| 90 | F | 92.9 | Very high | 91.7 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.009 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 122.5 | -176.4 | -71.4 | -113.5 | 0 | 0 | 0 | 110.3 | V32 V82 V84 W88 V93 L101 L113 V114 R115 E116 C179 | V32-F90 HydrophobicContact CB-CE1 4.09Å; V32-F90 HydrophobicContact CG1-CE1 4.19Å; V32-F90 HydrophobicContact CG2-CE1 4.06Å; V82-F90 HydrophobicContact CG2-CD1 3.97Å; V84-F90 HydrophobicContact CG1-CD2 4.26Å; V84-F90 HydrophobicContact CG1-CE2 3.98Å; V84-F90 HydrophobicContact CG1-CZ 4.12Å; V84-F90 HydrophobicContact CG2-CD1 3.55Å; V84-F90 HydrophobicContact CG2-CD2 4.41Å; V84-F90 HydrophobicContact CG2-CE1 3.5Å; V84-F90 HydrophobicContact CG2-CE2 4.35Å; V84-F90 HydrophobicContact CG2-CG 4.02Å; V84-F90 HydrophobicContact CG2-CZ 3.92Å; W88-F90 WeakPolarHBondContact O-CD2 3.38Å; F90-V93 HydrophobicContact CB-CB 4.07Å; F90-V93 HydrophobicContact CB-CG2 3.68Å; F90-V93 HydrophobicContact CD1-CG2 3.96Å; F90-V93 HydrophobicContact CG-CG2 4.28Å; F90-L101 HydrophobicContact CD1-CD1 4.31Å; F90-L101 HydrophobicContact CE1-CD1 4.15Å; F90-L113 HydrophobicContact CD2-CB 3.73Å; F90-L113 HydrophobicContact CD2-CD1 4.48Å; F90-L113 HydrophobicContact CD2-CG 4.5Å; F90-L113 HydrophobicContact CE2-CB 3.75Å; F90-V114 PolarHBondContact N-O 3.2Å; F90-R115 WeakPolarHBondContact O-CA 3.36Å; F90-E116 PolarHBondContact O-N 3.04Å; F90-C179 HydrophobicContact CE2-CB 4.44Å; F90-C179 HydrophobicContact CZ-CB 4.35Å |
| 91 | E | 90.8 | Very high | 91.8 | Very high | 50 Ų | 50 | 43.7 Ų | 43.7 | 23% | 0.234 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -90.8 | 133.1 | 176.4 | -167.5 | -176.1 | 178.4 | 0 | 0 | 110.3 | V82 R83 Y85 V93 | V82-E91 WeakPolarHBondContact CB-O 3.14Å; R83-E91 HydrophobicContact CB-CB 4.3Å; R83-E91 PolarHBondContact O-N 3.18Å; Y85-E91 HydrophobicContact CE2-CB 4.28Å; E91-V93 VanDerWaalsContact C-N 3.29Å; E91-V93 PolarHBondContact O-N 2.96Å |
| 92 | G | 85.7 | Confident | 91.8 | Very high | 40 Ų | 40 | 43.1 Ų | 43.1 | 41% | 0.412 | 22% | 0.216 | S | C | . | . | S | Bend | trans | 79.1 | 5.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | T118 | G92-T118 WeakPolarHBondContact O-CG2 3.35Š|
| 93 | V | 91 | Very high | 91.8 | Very high | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.018 | 24% | 0.241 | C | C | . | . | trans | -83.7 | 118.9 | 178.2 | 174.8 | 0 | 0 | 0 | 0 | 111.2 | V82 F90 E91 K97 A98 L101 R115 | V82-V93 HydrophobicContact CB-CG2 3.87Å; V82-V93 HydrophobicContact CG1-CG2 3.77Å; V82-V93 HydrophobicContact CG2-CG2 3.62Å; F90-V93 HydrophobicContact CB-CB 4.07Å; F90-V93 HydrophobicContact CB-CG2 3.68Å; F90-V93 HydrophobicContact CD1-CG2 3.96Å; F90-V93 HydrophobicContact CG-CG2 4.28Å; E91-V93 VanDerWaalsContact C-N 3.29Å; E91-V93 PolarHBondContact O-N 2.96Å; V93-K97 HydrophobicContact CG1-CB 4.05Å; V93-A98 HydrophobicContact CG1-CB 3.85Å; V93-L101 HydrophobicContact CG1-CD1 4.44Å; V93-R115 HydrophobicContact CB-CB 4.27Å; V93-R115 WeakPolarHBondContact O-CD 3.27Å | ||
| 94 | G | 91.2 | Very high | 91.8 | Very high | 28 Ų | 28 | 46 Ų | 46 | 29% | 0.289 | 24% | 0.236 | S | C | . | . | trans | -71.6 | 168.3 | 172 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q96 K97 A98 | G94-Q96 PolarHBondContact O-N 3.38Å; G94-K97 PolarHBondContact O-N 3.39Å; G94-A98 WeakPolarHBondContact O-CB 3.44Å; G94-A98 PolarHBondContact O-N 3.37Å | ||
| 95 | R | 92.2 | Very high | 91.5 | Very high | 146 Ų | 146 | 51.6 Ų | 51.6 | 55% | 0.551 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -56.6 | -50.4 | 177.7 | -179.7 | -178.2 | 173.8 | 170.8 | -0.8 | 112.1 | K97 A98 E99 H135 | R95-K97 PolarHBondContact O-N 3.02Å; R95-A98 WeakPolarHBondContact O-CB 3.47Å; R95-A98 PolarHBondContact O-N 2.84Å; R95-E99 IonicContact CZ-OE1 3.87Å; R95-E99 IonicContact NE-OE1 3.06Å; R95-E99 PolarHBondContact NE-OE1 3.31Å; R95-E99 IonicContact NH2-OE1 3.78Å; R95-E99 WeakPolarHBondContact O-CG 3.46Å; R95-E99 PolarHBondContact O-N 2.82Å; R95-H135 PolarHBondContact NE-CD2 3.47Å; R95-H135 PolarHBondContact NE-NE2 3.07Å |
| 96 | Q | 92.8 | Very high | 91.2 | Very high | 119 Ų | 119 | 50.4 Ų | 50.4 | 56% | 0.556 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -60.4 | -46.7 | -177.3 | -165.6 | 65.7 | 23.9 | 0 | 0 | 111.7 | G94 A98 E99 E100 | G94-Q96 PolarHBondContact O-N 3.38Å; Q96-A98 VanDerWaalsContact C-N 3.34Å; Q96-A98 PolarHBondContact O-N 2.96Å; Q96-E99 WeakPolarHBondContact O-CB 3.41Å; Q96-E99 PolarHBondContact O-N 3.01Å; Q96-E99 VanDerWaalsContact O-N 3.13Å; Q96-E100 PolarHBondContact O-N 3.35Å |
| 97 | K | 92.3 | Very high | 91.3 | Very high | 46 Ų | 46 | 44.5 Ų | 44.5 | 20% | 0.2 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.3 | -37.8 | 177.4 | -70.4 | -54.1 | -167.6 | 175.2 | 0 | 112.9 | I34 D35 V93 G94 R95 E99 E100 L101 | I34-K97 PolarHBondContact O-NZ 2.89Å; D35-K97 VanDerWaalsContact CG-NZ 3.3Å; D35-K97 IonicContact OD1-NZ 3.44Å; D35-K97 PolarHBondContact OD1-NZ 2.89Å; D35-K97 WeakPolarHBondContact OD2-CE 3.46Å; D35-K97 IonicContact OD2-NZ 2.72Å; D35-K97 PolarHBondContact OD2-NZ 2.72Å; V93-K97 HydrophobicContact CG1-CB 4.05Å; G94-K97 PolarHBondContact O-N 3.39Å; R95-K97 PolarHBondContact O-N 3.02Å; K97-E99 VanDerWaalsContact C-N 3.33Å; K97-E99 PolarHBondContact O-N 2.94Å; K97-E100 VanDerWaalsContact CD-OE2 3.24Å; K97-E100 WeakPolarHBondContact CD-OE2 3.01Å; K97-E100 IonicContact NZ-OE2 3.05Å; K97-E100 PolarHBondContact NZ-OE2 2.86Å; K97-E100 PolarHBondContact O-N 3.19Å; K97-L101 WeakPolarHBondContact O-CB 3.13Å; K97-L101 VanDerWaalsContact O-CG 3.28Å; K97-L101 WeakPolarHBondContact O-CG 3.23Å; K97-L101 PolarHBondContact O-N 3.31Å |
| 98 | A | 93.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.2 | -40.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V93 G94 R95 Q96 L102 L113 | V93-A98 HydrophobicContact CG1-CB 3.85Å; G94-A98 WeakPolarHBondContact O-CB 3.44Å; G94-A98 PolarHBondContact O-N 3.37Å; R95-A98 WeakPolarHBondContact O-CB 3.47Å; R95-A98 PolarHBondContact O-N 2.84Å; Q96-A98 VanDerWaalsContact C-N 3.34Å; Q96-A98 PolarHBondContact O-N 2.96Å; A98-L102 WeakPolarHBondContact O-CB 3.21Å; A98-L102 WeakPolarHBondContact O-CG 3.38Å; A98-L102 PolarHBondContact O-N 3.41Å; A98-L113 HydrophobicContact CB-CD1 3.83Å; A98-L113 HydrophobicContact CB-CD2 4.15Å; A98-L113 HydrophobicContact CB-CG 4.44Å |
| 99 | E | 94.8 | Very high | 91.4 | Very high | 41 Ų | 41 | 53.9 Ų | 53.9 | 19% | 0.192 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.3 | -48.4 | 176.2 | -65 | 179.9 | -161 | 0 | 0 | 110.6 | R95 Q96 K97 L101 L102 L103 V133 H135 | R95-E99 IonicContact CZ-OE1 3.87Å; R95-E99 IonicContact NE-OE1 3.06Å; R95-E99 PolarHBondContact NE-OE1 3.31Å; R95-E99 IonicContact NH2-OE1 3.78Å; R95-E99 WeakPolarHBondContact O-CG 3.46Å; R95-E99 PolarHBondContact O-N 2.82Å; Q96-E99 WeakPolarHBondContact O-CB 3.41Å; Q96-E99 PolarHBondContact O-N 3.01Å; Q96-E99 VanDerWaalsContact O-N 3.13Å; K97-E99 VanDerWaalsContact C-N 3.33Å; K97-E99 PolarHBondContact O-N 2.94Å; E99-L101 PolarHBondContact O-N 2.69Å; E99-L102 PolarHBondContact O-N 2.52Å; E99-L103 WeakPolarHBondContact O-CB 3.36Å; E99-L103 WeakPolarHBondContact O-CG 3.29Å; E99-L103 PolarHBondContact O-N 3.45Å; E99-V133 HydrophobicContact CB-CB 4.47Å; E99-V133 HydrophobicContact CB-CG2 4.39Å; E99-V133 HydrophobicContact CG-CB 3.98Å; E99-V133 HydrophobicContact CG-CG1 3.97Å; E99-V133 HydrophobicContact CG-CG2 4.43Å; E99-H135 WeakPolarHBondContact CG-NE2 3.44Å; E99-H135 IonicContact OE1-CD2 3.84Å; E99-H135 IonicContact OE1-CE1 3.74Å; E99-H135 IonicContact OE1-NE2 3.37Å; E99-H135 PolarHBondContact OE1-NE2 3.45Å |
| 100 | E | 94 | Very high | 91.4 | Very high | 65 Ų | 65 | 52.9 Ų | 52.9 | 30% | 0.304 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -57.1 | -48.8 | 176.6 | -70.2 | 169.7 | -164 | 0 | 0 | 111.9 | M49 Q96 K97 L102 L103 L104 | M49-E100 HydrophobicContact CE-CB 3.35Å; M49-E100 HydrophobicContact CE-CG 4.47Å; M49-E100 HydrophobicContact SD-CB 4.27Å; Q96-E100 PolarHBondContact O-N 3.35Å; K97-E100 VanDerWaalsContact CD-OE2 3.24Å; K97-E100 WeakPolarHBondContact CD-OE2 3.01Å; K97-E100 IonicContact NZ-OE2 3.05Å; K97-E100 PolarHBondContact NZ-OE2 2.86Å; K97-E100 PolarHBondContact O-N 3.19Å; E100-L102 PolarHBondContact O-N 2.8Å; E100-L103 PolarHBondContact O-N 2.79Å; E100-L103 VanDerWaalsContact O-N 3.12Å; E100-L104 PolarHBondContact O-N 2.82Å; E100-L104 VanDerWaalsContact O-N 3.14Å |
| 101 | L | 93.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.6 | -43 | 179 | -71.5 | 172.5 | 0 | 0 | 0 | 112.1 | V32 I34 M49 F90 V93 K97 E99 L103 L104 N107 L113 L180 | V32-L101 HydrophobicContact CG1-CD2 4.27Å; I34-L101 HydrophobicContact CG2-CD1 4.44Å; M49-L101 HydrophobicContact CE-CD2 3.6Å; M49-L101 HydrophobicContact CE-CG 3.76Å; M49-L101 HydrophobicContact CG-CD2 4.04Å; F90-L101 HydrophobicContact CD1-CD1 4.31Å; F90-L101 HydrophobicContact CE1-CD1 4.15Å; V93-L101 HydrophobicContact CG1-CD1 4.44Å; K97-L101 WeakPolarHBondContact O-CB 3.13Å; K97-L101 VanDerWaalsContact O-CG 3.28Å; K97-L101 WeakPolarHBondContact O-CG 3.23Å; K97-L101 PolarHBondContact O-N 3.31Å; E99-L101 PolarHBondContact O-N 2.69Å; L101-L103 VanDerWaalsContact C-N 3.31Å; L101-L103 PolarHBondContact O-N 3Å; L101-L104 HydrophobicContact CD2-CD1 4.02Å; L101-L104 VanDerWaalsContact O-CB 3.32Å; L101-L104 WeakPolarHBondContact O-CB 3.33Å; L101-L104 PolarHBondContact O-N 2.98Å; L101-N107 PolarHBondContact O-ND2 2.97Å; L101-L113 HydrophobicContact CB-CD2 4.41Å; L101-L180 HydrophobicContact CD2-CD1 4.31Å |
| 102 | L | 93.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.6 | -30.7 | 177.4 | -76 | 167.7 | 0 | 0 | 0 | 111.9 | A98 E99 E100 L104 N107 L113 K129 V133 C179 | A98-L102 WeakPolarHBondContact O-CB 3.21Å; A98-L102 WeakPolarHBondContact O-CG 3.38Å; A98-L102 PolarHBondContact O-N 3.41Å; E99-L102 PolarHBondContact O-N 2.52Å; E100-L102 PolarHBondContact O-N 2.8Å; L102-L104 VanDerWaalsContact C-N 3.27Å; L102-L104 PolarHBondContact O-N 3.07Å; L102-N107 VanDerWaalsContact O-CB 3.27Å; L102-N107 WeakPolarHBondContact O-CB 3.34Å; L102-N107 PolarHBondContact O-ND2 3.26Å; L102-L113 HydrophobicContact CD1-CD2 4.21Å; L102-L113 HydrophobicContact CD1-CG 4.28Å; L102-L113 HydrophobicContact CD2-CD2 4.38Å; L102-L113 HydrophobicContact CG-CD2 3.91Å; L102-L113 HydrophobicContact CG-CG 4.42Å; L102-K129 HydrophobicContact CB-CB 4.44Å; L102-K129 HydrophobicContact CD2-CB 4.31Å; L102-K129 VanDerWaalsContact O-CD 3.24Å; L102-K129 WeakPolarHBondContact O-CD 3.45Å; L102-K129 WeakPolarHBondContact O-CE 3.31Å; L102-K129 PolarHBondContact O-NZ 2.86Å; L102-V133 HydrophobicContact CB-CG2 4.07Å; L102-V133 HydrophobicContact CD1-CG1 3.72Å; L102-V133 HydrophobicContact CD1-CG2 4.39Å; L102-C179 HydrophobicContact CD2-CB 3.88Å |
| 103 | L | 92.5 | Very high | 92.2 | Very high | 112 Ų | 112 | 48.7 Ų | 48.7 | 59% | 0.586 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -75.3 | -15 | 177.5 | -71.5 | 172 | 0 | 0 | 0 | 113.4 | E99 E100 L101 V133 | E99-L103 WeakPolarHBondContact O-CB 3.36Å; E99-L103 WeakPolarHBondContact O-CG 3.29Å; E99-L103 PolarHBondContact O-N 3.45Å; E100-L103 PolarHBondContact O-N 2.79Å; E100-L103 VanDerWaalsContact O-N 3.12Å; L101-L103 VanDerWaalsContact C-N 3.31Å; L101-L103 PolarHBondContact O-N 3Å; L103-V133 HydrophobicContact CD2-CG2 4.49Å; L103-V133 HydrophobicContact CG-CG2 4.36Å |
| 104 | L | 90.7 | Very high | 92.4 | Very high | 36 Ų | 36 | 48.6 Ų | 48.6 | 19% | 0.188 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -53.4 | 148.2 | 174.3 | -70.4 | 173.8 | 0 | 0 | 0 | 112.6 | M49 E100 L101 L102 N107 L180 | M49-L104 HydrophobicContact CG-CD1 4.15Å; M49-L104 WeakPolarHBondContact O-CD1 3.39Å; M49-L104 HydrophobicContact SD-CD2 4.5Å; E100-L104 PolarHBondContact O-N 2.82Å; E100-L104 VanDerWaalsContact O-N 3.14Å; L101-L104 HydrophobicContact CD2-CD1 4.02Å; L101-L104 VanDerWaalsContact O-CB 3.32Å; L101-L104 WeakPolarHBondContact O-CB 3.33Å; L101-L104 PolarHBondContact O-N 2.98Å; L102-L104 VanDerWaalsContact C-N 3.27Å; L102-L104 PolarHBondContact O-N 3.07Å; L104-N107 PolarHBondContact O-N 2.95Å; L104-L180 HydrophobicContact CB-CD2 4.44Å; L104-L180 HydrophobicContact CD1-CD2 3.79Å |
| 105 | P | 86.4 | Confident | 92.6 | Very high | 124 Ų | 124 | 48.9 Ų | 48.9 | 81% | 0.805 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 143.4 | 175.1 | 27.2 | -34.7 | 0 | 0 | 0 | 110.4 | ||
| 106 | G | 84.3 | Confident | 92.5 | Very high | 36 Ų | 36 | 43.1 Ų | 43.1 | 37% | 0.371 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 102.6 | -27.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 107 | N | 90.4 | Very high | 91.9 | Very high | 11 Ų | 11 | 39 Ų | 39 | 6% | 0.059 | 21% | 0.207 | C | C | . | . | trans | -78.5 | 130.9 | 173.1 | -65.9 | -47.1 | 0 | 0 | 0 | 111 | L101 L102 L104 K129 L180 | L101-N107 PolarHBondContact O-ND2 2.97Å; L102-N107 VanDerWaalsContact O-CB 3.27Å; L102-N107 WeakPolarHBondContact O-CB 3.34Å; L102-N107 PolarHBondContact O-ND2 3.26Å; L104-N107 PolarHBondContact O-N 2.95Å; N107-K129 HydrophobicContact CB-CD 3.78Å; N107-K129 WeakPolarHBondContact O-CE 3.29Å; N107-K129 PolarHBondContact O-NZ 3.23Å; N107-L180 PolarHBondContact OD1-N 2.81Å | ||
| 108 | R | 91.6 | Very high | 91.1 | Very high | 165 Ų | 165 | 41.9 Ų | 41.9 | 62% | 0.623 | 23% | 0.229 | S | C | * | . | trans | -104.4 | 173.9 | 179.6 | -60.5 | -171.2 | -176.5 | -161.4 | 4.8 | 110.9 | G110 S111 K129 | R108-G110 PolarHBondContact O-N 3.15Å; R108-S111 PolarHBondContact N-OG 2.89Å; R108-S111 WeakPolarHBondContact O-CB 3.39Å; R108-S111 PolarHBondContact O-N 2.86Å; R108-S111 PolarHBondContact O-OG 2.93Å; R108-K129 WeakPolarHBondContact O-CD 3.35Å | ||
| 109 | V | 92.9 | Very high | 90.1 | Very high | 85 Ų | 85 | 47.3 Ų | 47.3 | 52% | 0.515 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 136 | 171.7 | 175.1 | 0 | 0 | 0 | 0 | 109.2 | S111 T176 | V109-S111 VanDerWaalsContact C-N 3.31Å; V109-T176 PolarHBondContact O-OG1 3.06Å |
| 110 | G | 92.6 | Very high | 89 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.9 | -8.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | R108 K129 T174 T176 | R108-G110 PolarHBondContact O-N 3.15Å; G110-K129 PolarHBondContact N-O 3.3Å; G110-T174 WeakPolarHBondContact CA-O 3.36Å; G110-T176 WeakPolarHBondContact CA-OG1 3.43Å; G110-T176 PolarHBondContact O-N 2.63Å; G110-T176 PolarHBondContact O-OG1 3.39Å |
| 111 | S | 95.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | trans | -64.4 | 139.1 | 174.3 | -64.2 | 0 | 0 | 0 | 0 | 110.8 | R108 V109 K129 T176 T177 | R108-S111 PolarHBondContact N-OG 2.89Å; R108-S111 WeakPolarHBondContact O-CB 3.39Å; R108-S111 PolarHBondContact O-N 2.86Å; R108-S111 PolarHBondContact O-OG 2.93Å; V109-S111 VanDerWaalsContact C-N 3.31Å; S111-K129 WeakPolarHBondContact O-CB 3.48Å; S111-K129 PolarHBondContact O-N 2.88Å; S111-T176 PolarHBondContact N-OG1 3.48Å; S111-T177 CarbonylContact C-O 3.54Å; S111-T177 WeakPolarHBondContact CA-O 3.24Å; S111-T177 PolarHBondContact OG-OG1 2.97Å; S111-T177 VanDerWaalsContact OG-OG1 3.06Å | ||
| 112 | F | 95.9 | Very high | 87.4 | Confident | 5 Ų | 5 | 58.1 Ų | 58.1 | 2% | 0.022 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 160.9 | -169.9 | 71.9 | -82.8 | 0 | 0 | 0 | 113.6 | W88 L126 S127 V128 I161 L175 T177 P178 C179 | W88-F112 HydrophobicContact CB-CE2 3.77Å; W88-F112 HydrophobicContact CB-CZ 4.27Å; W88-F112 HydrophobicContact CG-CE2 4.14Å; F112-L126 HydrophobicContact CB-CD1 4.17Å; F112-L126 HydrophobicContact CD2-CD1 3.89Å; F112-L126 HydrophobicContact CG-CD1 4.41Å; F112-S127 CarbonylContact C-O 3.38Å; F112-S127 VanDerWaalsContact CA-O 3.23Å; F112-S127 WeakPolarHBondContact CA-O 3.21Å; F112-V128 HydrophobicContact CB-CG2 4.24Å; F112-I161 HydrophobicContact CD2-CD1 4.01Å; F112-I161 HydrophobicContact CE1-CG2 4.46Å; F112-I161 HydrophobicContact CE2-CD1 3.64Å; F112-I161 HydrophobicContact CE2-CG1 4.17Å; F112-I161 HydrophobicContact CE2-CG2 3.59Å; F112-I161 HydrophobicContact CZ-CG2 3.42Å; F112-I161 VanDerWaalsContact CZ-CG2 3.42Å; F112-L175 HydrophobicContact CB-CD2 3.78Å; F112-L175 HydrophobicContact CD1-CB 3.65Å; F112-L175 HydrophobicContact CD1-CD1 4.35Å; F112-L175 HydrophobicContact CD1-CD2 4.11Å; F112-L175 HydrophobicContact CD1-CG 4.23Å; F112-L175 HydrophobicContact CD2-CD1 4.18Å; F112-L175 HydrophobicContact CE1-CB 3.79Å; F112-L175 HydrophobicContact CE1-CD1 4.48Å; F112-L175 HydrophobicContact CE2-CD1 4.33Å; F112-L175 HydrophobicContact CG-CB 4.24Å; F112-L175 HydrophobicContact CG-CD1 4.19Å; F112-L175 HydrophobicContact CG-CD2 3.91Å; F112-L175 HydrophobicContact CG-CG 4.33Å; F112-L175 HydrophobicContact CZ-CB 4.5Å; F112-L175 HydrophobicContact CZ-CD1 4.48Å; F112-T177 VanDerWaalsContact CD1-O 3.29Å; F112-T177 WeakPolarHBondContact CD1-O 3.44Å; F112-T177 PolarHBondContact N-O 3.49Å; F112-P178 HydrophobicContact CZ-CG 4.35Å; F112-P178 CarbonylContact O-C 3.59Å; F112-C179 WeakPolarHBondContact O-CB 3.33Å; F112-C179 PolarHBondContact O-N 2.88Å |
| 113 | L | 95.4 | Very high | 87 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 148.4 | 165.2 | 65.4 | 87.9 | 0 | 0 | 0 | 109.9 | F90 A98 L101 L102 R115 S127 C179 | F90-L113 HydrophobicContact CD2-CB 3.73Å; F90-L113 HydrophobicContact CD2-CD1 4.48Å; F90-L113 HydrophobicContact CD2-CG 4.5Å; F90-L113 HydrophobicContact CE2-CB 3.75Å; A98-L113 HydrophobicContact CB-CD1 3.83Å; A98-L113 HydrophobicContact CB-CD2 4.15Å; A98-L113 HydrophobicContact CB-CG 4.44Å; L101-L113 HydrophobicContact CB-CD2 4.41Å; L102-L113 HydrophobicContact CD1-CD2 4.21Å; L102-L113 HydrophobicContact CD1-CG 4.28Å; L102-L113 HydrophobicContact CD2-CD2 4.38Å; L102-L113 HydrophobicContact CG-CD2 3.91Å; L102-L113 HydrophobicContact CG-CG 4.42Å; L113-R115 HydrophobicContact CD1-CB 3.98Å; L113-R115 HydrophobicContact CD1-CG 4.46Å; L113-S127 PolarHBondContact N-O 3.05Å; L113-S127 PolarHBondContact O-N 3.49Å; L113-C179 HydrophobicContact CB-CB 3.95Å; L113-C179 HydrophobicContact CD2-CB 3.97Å |
| 114 | V | 95.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 125.8 | 167.7 | -179 | 0 | 0 | 0 | 0 | 107.1 | W88 L89 F90 Y124 S125 L126 I138 I161 | W88-V114 HydrophobicContact CE3-CB 3.91Å; W88-V114 HydrophobicContact CE3-CG2 3.68Å; W88-V114 HydrophobicContact CZ3-CB 4.08Å; W88-V114 HydrophobicContact CZ3-CG2 3.88Å; W88-V114 PolarHBondContact O-N 3.11Å; L89-V114 CarbonylContact C-O 3.59Å; L89-V114 WeakPolarHBondContact CA-O 3.27Å; L89-V114 HydrophobicContact CD1-CB 4.01Å; L89-V114 HydrophobicContact CD1-CG1 3.73Å; F90-V114 PolarHBondContact N-O 3.2Å; V114-Y124 HydrophobicContact CG1-CD1 4.12Å; V114-Y124 HydrophobicContact CG1-CG 4.39Å; V114-S125 WeakPolarHBondContact CA-O 3.49Å; V114-L126 HydrophobicContact CG2-CD1 3.91Å; V114-I138 HydrophobicContact CG1-CD1 3.91Å; V114-I161 HydrophobicContact CG2-CD1 3.73Å; V114-I161 HydrophobicContact CG2-CG1 4.35Å |
| 115 | R | 94.6 | Very high | 87.2 | Confident | 34 Ų | 34 | 55.2 Ų | 55.2 | 13% | 0.128 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 136.2 | 174.2 | 60.4 | -178.3 | -176.1 | 74.3 | 6 | 110.2 | F90 V93 L113 Y124 S125 | F90-R115 WeakPolarHBondContact O-CA 3.36Å; V93-R115 HydrophobicContact CB-CB 4.27Å; V93-R115 WeakPolarHBondContact O-CD 3.27Å; L113-R115 HydrophobicContact CD1-CB 3.98Å; L113-R115 HydrophobicContact CD1-CG 4.46Å; R115-Y124 CarbonylContact O-C 3.47Å; R115-Y124 WeakPolarHBondContact O-CA 3.17Å; R115-S125 WeakPolarHBondContact CG-O 3.46Å; R115-S125 PolarHBondContact N-O 3.14Å; R115-S125 PolarHBondContact NH2-OG 3.19Å; R115-S125 PolarHBondContact O-N 3.49Å |
| 116 | E | 91 | Very high | 87.7 | Confident | 26 Ų | 26 | 49.3 Ų | 49.3 | 12% | 0.121 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 138.4 | 165.6 | -171.4 | 170 | -171 | 0 | 0 | 109.8 | F90 T118 R121 G122 Y124 | F90-E116 PolarHBondContact O-N 3.04Å; E116-T118 PolarHBondContact O-N 3.42Å; E116-R121 WeakPolarHBondContact OE1-CA 3.32Å; E116-G122 PolarHBondContact OE1-N 2.73Å; E116-Y124 HydrophobicContact CB-CD1 4.05Å; E116-Y124 HydrophobicContact CB-CE1 3.92Å; E116-Y124 HydrophobicContact CG-CD1 4.28Å; E116-Y124 HydrophobicContact CG-CE1 3.93Å |
| 117 | S | 80.1 | Confident | 88.3 | Confident | 31 Ų | 31 | 47.6 Ų | 47.6 | 22% | 0.217 | 24% | 0.24 | C | C | . | . | trans | -63.7 | 129.2 | 176.3 | -176.4 | 0 | 0 | 0 | 0 | 110.7 | S119 E120 L123 | S117-S119 PolarHBondContact O-N 2.88Å; S117-S119 PolarHBondContact OG-N 3Å; S117-E120 WeakPolarHBondContact CB-O 3.45Å; S117-L123 WeakPolarHBondContact CB-O 3.46Å; S117-L123 PolarHBondContact N-O 2.91Å | ||
| 118 | T | 74 | Confident | 88.5 | Confident | 108 Ų | 108 | 47 Ų | 47 | 66% | 0.663 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -64.9 | -28.9 | 175.2 | 49.8 | 0 | 0 | 0 | 0 | 112.8 | G92 E116 | G92-T118 WeakPolarHBondContact O-CG2 3.35Å; E116-T118 PolarHBondContact O-N 3.42Å |
| 119 | S | 72.8 | Confident | 88.7 | Confident | 113 Ų | 113 | 40.7 Ų | 40.7 | 79% | 0.79 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -88.8 | -23.2 | -174.5 | -172.9 | 0 | 0 | 0 | 0 | 113.7 | S117 | S117-S119 PolarHBondContact O-N 2.88Å; S117-S119 PolarHBondContact OG-N 3Å |
| 120 | E | 73.3 | Confident | 88.6 | Confident | 114 Ų | 114 | 39.9 Ų | 39.9 | 53% | 0.533 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -149.7 | 109.3 | -172.6 | -171.3 | 171.6 | -166 | 0 | 0 | 109.8 | S117 L123 | S117-E120 WeakPolarHBondContact CB-O 3.45Å; E120-L123 HydrophobicContact CB-CD1 4.1Å; E120-L123 HydrophobicContact CB-CG 4.26Å; E120-L123 HydrophobicContact CG-CD1 4.16Å; E120-L123 HydrophobicContact CG-CG 4.07Å; E120-L123 PolarHBondContact O-N 3.32Å; E120-L123 WeakPolarHBondContact OE2-CD1 3.4Å |
| 121 | R | 75.2 | Confident | 88.5 | Confident | 205 Ų | 205 | 51 Ų | 51 | 77% | 0.774 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63 | 138.1 | 178.7 | -70.1 | -169.9 | 175.8 | -134.4 | -7.2 | 110.4 | E116 | E116-R121 WeakPolarHBondContact OE1-CA 3.32Š|
| 122 | G | 77 | Confident | 88.3 | Confident | 14 Ų | 14 | 53.8 Ų | 53.8 | 14% | 0.144 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | -0.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | E116 | E116-G122 PolarHBondContact OE1-N 2.73Š|
| 123 | L | 86.1 | Confident | 88.2 | Confident | 39 Ų | 39 | 54.5 Ų | 54.5 | 20% | 0.204 | 27% | 0.274 | C | S | . | . | trans | -94.4 | 119.1 | 164.5 | -70.2 | -166.9 | 0 | 0 | 0 | 110.7 | S117 E120 | S117-L123 WeakPolarHBondContact CB-O 3.46Å; S117-L123 PolarHBondContact N-O 2.91Å; E120-L123 HydrophobicContact CB-CD1 4.1Å; E120-L123 HydrophobicContact CB-CG 4.26Å; E120-L123 HydrophobicContact CG-CD1 4.16Å; E120-L123 HydrophobicContact CG-CG 4.07Å; E120-L123 PolarHBondContact O-N 3.32Å; E120-L123 WeakPolarHBondContact OE2-CD1 3.4Å | ||
| 124 | Y | 93.2 | Very high | 88.2 | Confident | 31 Ų | 31 | 59.7 Ų | 59.7 | 12% | 0.122 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 154.3 | 179.4 | -58 | -79.4 | 0 | 0 | 0 | 111.3 | L89 V114 R115 E116 I138 Y146 L157 | L89-Y124 HydrophobicContact CD1-CD1 4Å; L89-Y124 HydrophobicContact CD1-CE1 3.99Å; V114-Y124 HydrophobicContact CG1-CD1 4.12Å; V114-Y124 HydrophobicContact CG1-CG 4.39Å; R115-Y124 CarbonylContact O-C 3.47Å; R115-Y124 WeakPolarHBondContact O-CA 3.17Å; E116-Y124 HydrophobicContact CB-CD1 4.05Å; E116-Y124 HydrophobicContact CB-CE1 3.92Å; E116-Y124 HydrophobicContact CG-CD1 4.28Å; E116-Y124 HydrophobicContact CG-CE1 3.93Å; Y124-I138 WeakPolarHBondContact O-CB 3.3Å; Y124-I138 PolarHBondContact O-N 2.8Å; Y124-Y146 HydrophobicContact CD2-CD1 4.31Å; Y124-Y146 AromaticContact CD2-CE1 3.75Å; Y124-Y146 HydrophobicContact CD2-CE1 3.75Å; Y124-Y146 AromaticContact CE2-CE1 3.7Å; Y124-Y146 HydrophobicContact CE2-CE1 3.7Å; Y124-L157 HydrophobicContact CD1-CD1 3.95Å; Y124-L157 HydrophobicContact CD2-CD1 4.02Å; Y124-L157 HydrophobicContact CD2-CD2 4.33Å; Y124-L157 HydrophobicContact CE1-CD1 3.99Å; Y124-L157 HydrophobicContact CE2-CD1 4.05Å; Y124-L157 HydrophobicContact CG-CD1 3.97Å; Y124-L157 HydrophobicContact CG-CD2 4.41Å |
| 125 | S | 94.5 | Very high | 88.2 | Confident | 17 Ų | 17 | 61.9 Ų | 61.9 | 12% | 0.119 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 128.3 | 170.8 | -64.3 | 0 | 0 | 0 | 0 | 109.8 | V114 R115 Y136 | V114-S125 WeakPolarHBondContact CA-O 3.49Å; R115-S125 WeakPolarHBondContact CG-O 3.46Å; R115-S125 PolarHBondContact N-O 3.14Å; R115-S125 PolarHBondContact NH2-OG 3.19Å; R115-S125 PolarHBondContact O-N 3.49Å; S125-Y136 CarbonylContact C-O 3.6Å; S125-Y136 VanDerWaalsContact CA-O 3.3Å; S125-Y136 WeakPolarHBondContact CA-O 3.29Å |
| 126 | L | 95.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 128.2 | 173.2 | 176 | 67.3 | 0 | 0 | 0 | 108.8 | F112 V114 V128 H135 Y136 I138 I148 I161 L171 L175 | F112-L126 HydrophobicContact CB-CD1 4.17Å; F112-L126 HydrophobicContact CD2-CD1 3.89Å; F112-L126 HydrophobicContact CG-CD1 4.41Å; V114-L126 HydrophobicContact CG2-CD1 3.91Å; L126-V128 HydrophobicContact CD1-CG2 4.23Å; L126-V128 HydrophobicContact CD2-CG2 3.99Å; L126-V128 HydrophobicContact CG-CG2 3.76Å; L126-H135 CarbonylContact O-C 3.53Å; L126-H135 WeakPolarHBondContact O-CA 3.28Å; L126-Y136 HydrophobicContact CD2-CD2 4.47Å; L126-Y136 PolarHBondContact N-O 3.4Å; L126-Y136 PolarHBondContact O-N 3.26Å; L126-I138 HydrophobicContact CB-CD1 4.04Å; L126-I138 HydrophobicContact CB-CG1 4.38Å; L126-I148 HydrophobicContact CB-CD1 4.32Å; L126-I148 HydrophobicContact CD2-CD1 3.77Å; L126-I161 HydrophobicContact CD1-CD1 3.98Å; L126-L171 HydrophobicContact CD2-CD1 3.86Å; L126-L175 HydrophobicContact CD1-CD1 4.4Å; L126-L175 HydrophobicContact CD1-CD2 4.49Å; L126-L175 HydrophobicContact CD2-CD1 4.36Å; L126-L175 HydrophobicContact CD2-CD2 4.3Å |
| 127 | S | 96.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 125.9 | 175.6 | -52.3 | 0 | 0 | 0 | 0 | 108.8 | F112 L113 K134 H135 | F112-S127 CarbonylContact C-O 3.38Å; F112-S127 VanDerWaalsContact CA-O 3.23Å; F112-S127 WeakPolarHBondContact CA-O 3.21Å; L113-S127 PolarHBondContact N-O 3.05Å; L113-S127 PolarHBondContact O-N 3.49Å; S127-K134 CarbonylContact C-O 3.52Å; S127-K134 WeakPolarHBondContact CA-O 3.44Å; S127-H135 PolarHBondContact OG-ND1 2.82Å |
| 128 | V | 95.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 131.7 | -172 | -170.7 | 0 | 0 | 0 | 0 | 110.3 | F112 L126 V133 K134 Y136 L175 | F112-V128 HydrophobicContact CB-CG2 4.24Å; L126-V128 HydrophobicContact CD1-CG2 4.23Å; L126-V128 HydrophobicContact CD2-CG2 3.99Å; L126-V128 HydrophobicContact CG-CG2 3.76Å; V128-V133 WeakPolarHBondContact O-CA 3.4Å; V128-K134 PolarHBondContact N-O 2.94Å; V128-K134 PolarHBondContact O-N 2.84Å; V128-Y136 HydrophobicContact CG2-CD2 4.29Å; V128-Y136 HydrophobicContact CG2-CE2 4.25Å; V128-L175 HydrophobicContact CG1-CD2 4.04Å; V128-L175 HydrophobicContact CG2-CD2 3.68Å |
| 129 | K | 94.6 | Very high | 89.8 | Confident | 32 Ų | 32 | 64.8 Ų | 64.8 | 14% | 0.139 | 30% | 0.302 | C | S | . | . | trans | -77.8 | 121.4 | 174 | -174.9 | 173.1 | -165.2 | 161.6 | 0 | 110.5 | L102 N107 R108 G110 S111 | L102-K129 HydrophobicContact CB-CB 4.44Å; L102-K129 HydrophobicContact CD2-CB 4.31Å; L102-K129 VanDerWaalsContact O-CD 3.24Å; L102-K129 WeakPolarHBondContact O-CD 3.45Å; L102-K129 WeakPolarHBondContact O-CE 3.31Å; L102-K129 PolarHBondContact O-NZ 2.86Å; N107-K129 HydrophobicContact CB-CD 3.78Å; N107-K129 WeakPolarHBondContact O-CE 3.29Å; N107-K129 PolarHBondContact O-NZ 3.23Å; R108-K129 WeakPolarHBondContact O-CD 3.35Å; G110-K129 PolarHBondContact N-O 3.3Å; S111-K129 WeakPolarHBondContact O-CB 3.48Å; S111-K129 PolarHBondContact O-N 2.88Å | ||
| 130 | H | 92.4 | Very high | 90.7 | Very high | 68 Ų | 68 | 65.2 Ų | 65.2 | 32% | 0.315 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -131.7 | -135.7 | 168.4 | -172.6 | -110.1 | 0 | 0 | 0 | 108.4 | A132 | H130-A132 VanDerWaalsContact C-N 3.27Å; H130-A132 PolarHBondContact N-O 2.86Å |
| 131 | R | 89.9 | Confident | 91.5 | Very high | 235 Ų | 235 | 63 Ų | 63 | 89% | 0.887 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -61.4 | -37.1 | 165.7 | -69 | -176.6 | 178.3 | -178.5 | -1.1 | 112.6 | ||
| 132 | A | 90.9 | Very high | 92.2 | Very high | 58 Ų | 58 | 61.5 Ų | 61.5 | 48% | 0.479 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -136.7 | 156.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | H130 K134 | H130-A132 VanDerWaalsContact C-N 3.27Å; H130-A132 PolarHBondContact N-O 2.86Å; A132-K134 PolarHBondContact O-N 3.02Å |
| 133 | V | 94.8 | Very high | 92.9 | Very high | 20 Ų | 20 | 64.9 Ų | 64.9 | 12% | 0.121 | 30% | 0.3 | C | S | . | . | trans | -67.4 | 129.1 | 178.3 | -178.7 | 0 | 0 | 0 | 0 | 109.2 | E99 L102 L103 V128 | E99-V133 HydrophobicContact CB-CB 4.47Å; E99-V133 HydrophobicContact CB-CG2 4.39Å; E99-V133 HydrophobicContact CG-CB 3.98Å; E99-V133 HydrophobicContact CG-CG1 3.97Å; E99-V133 HydrophobicContact CG-CG2 4.43Å; L102-V133 HydrophobicContact CB-CG2 4.07Å; L102-V133 HydrophobicContact CD1-CG1 3.72Å; L102-V133 HydrophobicContact CD1-CG2 4.39Å; L103-V133 HydrophobicContact CD2-CG2 4.49Å; L103-V133 HydrophobicContact CG-CG2 4.36Å; V128-V133 WeakPolarHBondContact O-CA 3.4Å | ||
| 134 | K | 95.1 | Very high | 93.1 | Very high | 109 Ų | 109 | 65.5 Ų | 65.5 | 47% | 0.474 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 139.6 | 176.4 | -68.5 | -65.7 | -173.5 | 178.6 | 0 | 109.2 | S127 V128 A132 Y136 C172 | S127-K134 CarbonylContact C-O 3.52Å; S127-K134 WeakPolarHBondContact CA-O 3.44Å; V128-K134 PolarHBondContact N-O 2.94Å; V128-K134 PolarHBondContact O-N 2.84Å; A132-K134 PolarHBondContact O-N 3.02Å; K134-Y136 HydrophobicContact CB-CE2 3.85Å; K134-C172 HydrophobicContact CG-CB 4.21Å |
| 135 | H | 94.8 | Very high | 93.1 | Very high | 45 Ų | 45 | 68.4 Ų | 68.4 | 21% | 0.208 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 132.4 | 178.5 | -53.4 | -82.5 | 0 | 0 | 0 | 110.3 | R95 E99 L126 S127 | R95-H135 PolarHBondContact NE-CD2 3.47Å; R95-H135 PolarHBondContact NE-NE2 3.07Å; E99-H135 WeakPolarHBondContact CG-NE2 3.44Å; E99-H135 IonicContact OE1-CD2 3.84Å; E99-H135 IonicContact OE1-CE1 3.74Å; E99-H135 IonicContact OE1-NE2 3.37Å; E99-H135 PolarHBondContact OE1-NE2 3.45Å; L126-H135 CarbonylContact O-C 3.53Å; L126-H135 WeakPolarHBondContact O-CA 3.28Å; S127-H135 PolarHBondContact OG-ND1 2.82Å |
| 136 | Y | 94.4 | Very high | 93.1 | Very high | 47 Ų | 47 | 68.9 Ų | 68.9 | 18% | 0.184 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 128.8 | 176.2 | -60.1 | -86.7 | 0 | 0 | 0 | 108.4 | S125 L126 V128 K134 I148 L171 C172 | S125-Y136 CarbonylContact C-O 3.6Å; S125-Y136 VanDerWaalsContact CA-O 3.3Å; S125-Y136 WeakPolarHBondContact CA-O 3.29Å; L126-Y136 HydrophobicContact CD2-CD2 4.47Å; L126-Y136 PolarHBondContact N-O 3.4Å; L126-Y136 PolarHBondContact O-N 3.26Å; V128-Y136 HydrophobicContact CG2-CD2 4.29Å; V128-Y136 HydrophobicContact CG2-CE2 4.25Å; K134-Y136 HydrophobicContact CB-CE2 3.85Å; Y136-I148 HydrophobicContact CD1-CG2 4.14Å; Y136-I148 HydrophobicContact CG-CG2 4.38Å; Y136-L171 HydrophobicContact CD1-CD2 3.57Å; Y136-L171 HydrophobicContact CD2-CD2 3.82Å; Y136-L171 HydrophobicContact CE1-CD2 3.57Å; Y136-L171 HydrophobicContact CE2-CD2 3.83Å; Y136-L171 HydrophobicContact CG-CD2 3.69Å; Y136-C172 WeakPolarHBondContact OH-CB 3.35Å; Y136-C172 PolarHBondContact OH-N 3.25Å |
| 137 | R | 92.8 | Very high | 93 | Very high | 139 Ų | 139 | 71.5 Ų | 71.5 | 53% | 0.525 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 127.9 | 174.8 | -173.4 | 168.7 | 179.8 | 178.7 | 2.9 | 108.4 | F139 | R137-F139 HydrophobicContact CB-CE2 4.09Å; R137-F139 HydrophobicContact CB-CZ 4.24Å; R137-F139 HydrophobicContact CG-CD2 4.43Å; R137-F139 HydrophobicContact CG-CE1 4.11Å; R137-F139 HydrophobicContact CG-CE2 4.03Å; R137-F139 HydrophobicContact CG-CZ 3.86Å |
| 138 | I | 94.3 | Very high | 92.9 | Very high | 2 Ų | 2 | 72.9 Ų | 72.9 | 1% | 0.01 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 122.4 | 172.5 | -58.9 | 155.3 | 0 | 0 | 0 | 106.4 | V114 Y124 L126 Y146 Y147 I148 L157 M160 | V114-I138 HydrophobicContact CG1-CD1 3.91Å; Y124-I138 WeakPolarHBondContact O-CB 3.3Å; Y124-I138 PolarHBondContact O-N 2.8Å; L126-I138 HydrophobicContact CB-CD1 4.04Å; L126-I138 HydrophobicContact CB-CG1 4.38Å; I138-Y146 HydrophobicContact CG2-CD1 3.98Å; I138-Y146 HydrophobicContact CG2-CG 4.46Å; I138-Y147 WeakPolarHBondContact CA-O 3.39Å; I138-I148 HydrophobicContact CG1-CD1 4.17Å; I138-I148 HydrophobicContact CG1-CG1 3.88Å; I138-L157 HydrophobicContact CD1-CD2 4.23Å; I138-L157 HydrophobicContact CG2-CD2 4.12Å; I138-M160 HydrophobicContact CD1-CE 3.56Å; I138-M160 HydrophobicContact CG1-CE 3.84Å; I138-M160 HydrophobicContact CG1-SD 4.27Å; I138-M160 HydrophobicContact CG2-CE 4.3Å; I138-M160 HydrophobicContact CG2-SD 4.18Å |
| 139 | F | 91.7 | Very high | 92.6 | Very high | 72 Ų | 72 | 74.7 Ų | 74.7 | 32% | 0.316 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 151.1 | 176 | -65.5 | -83.3 | 0 | 0 | 0 | 109.8 | R137 Y146 Y147 | R137-F139 HydrophobicContact CB-CE2 4.09Å; R137-F139 HydrophobicContact CB-CZ 4.24Å; R137-F139 HydrophobicContact CG-CD2 4.43Å; R137-F139 HydrophobicContact CG-CE1 4.11Å; R137-F139 HydrophobicContact CG-CE2 4.03Å; R137-F139 HydrophobicContact CG-CZ 3.86Å; F139-Y146 CarbonylContact O-C 3.55Å; F139-Y146 WeakPolarHBondContact O-CA 3.49Å; F139-Y147 HydrophobicContact CB-CD1 3.73Å; F139-Y147 HydrophobicContact CB-CD2 4.36Å; F139-Y147 HydrophobicContact CB-CE1 3.23Å; F139-Y147 HydrophobicContact CB-CE2 3.9Å; F139-Y147 HydrophobicContact CB-CG 4.31Å; F139-Y147 HydrophobicContact CD2-CD2 4.49Å; F139-Y147 AromaticContact CD2-CE2 3.95Å; F139-Y147 HydrophobicContact CD2-CE2 3.95Å; F139-Y147 HydrophobicContact CG-CE1 4.27Å; F139-Y147 HydrophobicContact CG-CE2 4.2Å; F139-Y147 AromaticContact CG-CZ 3.89Å; F139-Y147 PolarHBondContact N-O 3.36Å; F139-Y147 PolarHBondContact O-N 2.96Å |
| 140 | R | 91.3 | Very high | 92.3 | Very high | 123 Ų | 123 | 78.3 Ų | 78.3 | 46% | 0.464 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 129.5 | 175.1 | -170.7 | 177.1 | 178 | 175.2 | -0.7 | 108.6 | S144 W145 Y146 | R140-S144 PolarHBondContact NH2-OG 3Å; R140-W145 CarbonylContact C-O 3.56Å; R140-W145 WeakPolarHBondContact CA-O 3.37Å; R140-Y146 HydrophobicContact CB-CD1 4.34Å; R140-Y146 HydrophobicContact CB-CE1 4.29Å; R140-Y146 HydrophobicContact CG-CD1 4.38Å; R140-Y146 HydrophobicContact CG-CE1 4.06Å |
| 141 | L | 91.1 | Very high | 92.2 | Very high | 66 Ų | 66 | 84.2 Ų | 84.2 | 35% | 0.346 | 40% | 0.399 | S | S | . | . | trans | -81.1 | 166 | 172.9 | -84.3 | 86 | 0 | 0 | 0 | 110.7 | N143 S144 W145 Y147 | L141-N143 WeakPolarHBondContact CB-OD1 3.18Å; L141-N143 PolarHBondContact O-N 3.15Å; L141-S144 WeakPolarHBondContact O-CA 3.37Å; L141-S144 PolarHBondContact O-N 3.01Å; L141-W145 PolarHBondContact N-O 2.83Å; L141-Y147 HydrophobicContact CD1-CD1 3.06Å; L141-Y147 HydrophobicContact CD1-CE1 3.19Å; L141-Y147 HydrophobicContact CD1-CG 4.14Å; L141-Y147 HydrophobicContact CG-CD1 4.38Å; L141-Y147 HydrophobicContact CG-CE1 4.12Å | ||
| 142 | D | 90.3 | Very high | 92.3 | Very high | 174 Ų | 174 | 75.4 Ų | 75.4 | 93% | 0.93 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -30.5 | 175.2 | -56.6 | -31.5 | 0 | 0 | 0 | 112.7 | S144 | D142-S144 PolarHBondContact O-N 3.43Š|
| 143 | N | 90.6 | Very high | 92.5 | Very high | 85 Ų | 85 | 75.4 Ų | 75.4 | 46% | 0.455 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | 10.5 | 173.1 | 72.2 | -9.7 | 0 | 0 | 0 | 113.4 | L141 W145 | L141-N143 WeakPolarHBondContact CB-OD1 3.18Å; L141-N143 PolarHBondContact O-N 3.15Å; N143-W145 PolarHBondContact O-N 2.97Å; N143-W145 VanDerWaalsContact OD1-CB 3.26Å; N143-W145 WeakPolarHBondContact OD1-CB 3.25Å; N143-W145 PolarHBondContact OD1-N 2.83Å |
| 144 | S | 90 | Very high | 92.5 | Very high | 52 Ų | 52 | 75.5 Ų | 75.5 | 36% | 0.364 | 36% | 0.363 | S | S | . | . | S | Bend | trans | 64.9 | 14.2 | -175.9 | -66.1 | 0 | 0 | 0 | 0 | 116.5 | R140 L141 D142 | R140-S144 PolarHBondContact NH2-OG 3Å; L141-S144 WeakPolarHBondContact O-CA 3.37Å; L141-S144 PolarHBondContact O-N 3.01Å; D142-S144 PolarHBondContact O-N 3.43Å |
| 145 | W | 93.6 | Very high | 92.5 | Very high | 93 Ų | 93 | 76.8 Ų | 76.8 | 35% | 0.352 | 37% | 0.37 | S | S | . | . | trans | -81.6 | 153.7 | 173.7 | -68.7 | 18.5 | 0 | 0 | 0 | 111.6 | R140 L141 N143 F154 Q155 | R140-W145 CarbonylContact C-O 3.56Å; R140-W145 WeakPolarHBondContact CA-O 3.37Å; L141-W145 PolarHBondContact N-O 2.83Å; N143-W145 PolarHBondContact O-N 2.97Å; N143-W145 VanDerWaalsContact OD1-CB 3.26Å; N143-W145 WeakPolarHBondContact OD1-CB 3.25Å; N143-W145 PolarHBondContact OD1-N 2.83Å; W145-F154 CarbonylContact C-O 3.56Å; W145-F154 VanDerWaalsContact CA-O 3.22Å; W145-F154 WeakPolarHBondContact CA-O 3.43Å; W145-F154 VanDerWaalsContact CB-O 3.26Å; W145-F154 WeakPolarHBondContact CB-O 3.41Å; W145-Q155 HydrophobicContact CD2-CG 4.3Å; W145-Q155 HydrophobicContact CZ2-CG 3.85Å | ||
| 146 | Y | 94.1 | Very high | 92.4 | Very high | 27 Ų | 27 | 76.9 Ų | 76.9 | 11% | 0.106 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 146.2 | -178.7 | -60.5 | -83.1 | 0 | 0 | 0 | 111.6 | Y124 I138 F139 R140 T153 F154 L157 | Y124-Y146 HydrophobicContact CD2-CD1 4.31Å; Y124-Y146 AromaticContact CD2-CE1 3.75Å; Y124-Y146 HydrophobicContact CD2-CE1 3.75Å; Y124-Y146 AromaticContact CE2-CE1 3.7Å; Y124-Y146 HydrophobicContact CE2-CE1 3.7Å; I138-Y146 HydrophobicContact CG2-CD1 3.98Å; I138-Y146 HydrophobicContact CG2-CG 4.46Å; F139-Y146 CarbonylContact O-C 3.55Å; F139-Y146 WeakPolarHBondContact O-CA 3.49Å; R140-Y146 HydrophobicContact CB-CD1 4.34Å; R140-Y146 HydrophobicContact CB-CE1 4.29Å; R140-Y146 HydrophobicContact CG-CD1 4.38Å; R140-Y146 HydrophobicContact CG-CE1 4.06Å; Y146-T153 CarbonylContact O-C 3.6Å; Y146-T153 WeakPolarHBondContact O-CA 3.37Å; Y146-F154 PolarHBondContact N-O 2.81Å; Y146-F154 PolarHBondContact O-N 3.29Å; Y146-L157 HydrophobicContact CD1-CD2 3.92Å; Y146-L157 HydrophobicContact CD1-CG 4.46Å; Y146-L157 HydrophobicContact CD2-CD2 4.45Å; Y146-L157 HydrophobicContact CD2-CG 4.43Å; Y146-L157 HydrophobicContact CE1-CD2 4.31Å; Y146-L157 HydrophobicContact CE1-CG 4.46Å; Y146-L157 HydrophobicContact CE2-CG 4.45Å; Y146-L157 HydrophobicContact CG-CD2 3.98Å; Y146-L157 HydrophobicContact CG-CG 4.43Å |
| 147 | Y | 94.1 | Very high | 92.4 | Very high | 55 Ų | 55 | 75.3 Ų | 75.3 | 22% | 0.216 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 155.3 | 172.7 | 71.7 | -76.7 | 0 | 0 | 0 | 112.4 | I138 F139 L141 P150 L152 | I138-Y147 WeakPolarHBondContact CA-O 3.39Å; F139-Y147 HydrophobicContact CB-CD1 3.73Å; F139-Y147 HydrophobicContact CB-CD2 4.36Å; F139-Y147 HydrophobicContact CB-CE1 3.23Å; F139-Y147 HydrophobicContact CB-CE2 3.9Å; F139-Y147 HydrophobicContact CB-CG 4.31Å; F139-Y147 HydrophobicContact CD2-CD2 4.49Å; F139-Y147 AromaticContact CD2-CE2 3.95Å; F139-Y147 HydrophobicContact CD2-CE2 3.95Å; F139-Y147 HydrophobicContact CG-CE1 4.27Å; F139-Y147 HydrophobicContact CG-CE2 4.2Å; F139-Y147 AromaticContact CG-CZ 3.89Å; F139-Y147 PolarHBondContact N-O 3.36Å; F139-Y147 PolarHBondContact O-N 2.96Å; L141-Y147 HydrophobicContact CD1-CD1 3.06Å; L141-Y147 HydrophobicContact CD1-CE1 3.19Å; L141-Y147 HydrophobicContact CD1-CG 4.14Å; L141-Y147 HydrophobicContact CG-CD1 4.38Å; L141-Y147 HydrophobicContact CG-CE1 4.12Å; Y147-P150 HydrophobicContact CD2-CG 4.33Å; Y147-P150 HydrophobicContact CE2-CB 4.48Å; Y147-P150 HydrophobicContact CE2-CG 4.01Å; Y147-L152 VanDerWaalsContact CB-O 3.25Å; Y147-L152 WeakPolarHBondContact CB-O 3.39Å |
| 148 | I | 93.7 | Very high | 92.4 | Very high | 28 Ų | 28 | 73.5 Ų | 73.5 | 14% | 0.144 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -107.8 | -46.7 | 166.1 | -63.2 | 175.1 | 0 | 0 | 0 | 109 | L126 Y136 I138 M160 Y164 L171 | L126-I148 HydrophobicContact CB-CD1 4.32Å; L126-I148 HydrophobicContact CD2-CD1 3.77Å; Y136-I148 HydrophobicContact CD1-CG2 4.14Å; Y136-I148 HydrophobicContact CG-CG2 4.38Å; I138-I148 HydrophobicContact CG1-CD1 4.17Å; I138-I148 HydrophobicContact CG1-CG1 3.88Å; I148-M160 HydrophobicContact CD1-SD 4.1Å; I148-M160 HydrophobicContact CG1-SD 4.03Å; I148-Y164 HydrophobicContact CD1-CD2 4.4Å; I148-Y164 HydrophobicContact CD1-CE2 3.79Å; I148-Y164 HydrophobicContact CG1-CE2 4.42Å; I148-L171 HydrophobicContact CD1-CD2 4.3Å; I148-L171 HydrophobicContact CG2-CD2 4.36Å |
| 149 | S | 90.9 | Very high | 92.5 | Very high | 38 Ų | 38 | 76.8 Ų | 76.8 | 27% | 0.266 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -107.1 | 131.2 | 172.7 | 177.3 | 0 | 0 | 0 | 0 | 108.9 | K151 L152 | S149-K151 PolarHBondContact O-N 3.29Å; S149-L152 PolarHBondContact O-N 2.89Å |
| 150 | P | 87.4 | Confident | 92.6 | Very high | 108 Ų | 108 | 73.4 Ų | 73.4 | 70% | 0.701 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -15.4 | -179.5 | -25.2 | 32.9 | 0 | 0 | 0 | 115 | Y147 L152 | Y147-P150 HydrophobicContact CD2-CG 4.33Å; Y147-P150 HydrophobicContact CE2-CB 4.48Å; Y147-P150 HydrophobicContact CE2-CG 4.01Å; P150-L152 VanDerWaalsContact C-N 3.34Å |
| 151 | K | 90.3 | Very high | 92.8 | Very high | 193 Ų | 193 | 67.8 Ų | 67.8 | 84% | 0.839 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -21.8 | 177.1 | -61.4 | -179 | -179.9 | 178.4 | 0 | 113.3 | S149 | S149-K151 PolarHBondContact O-N 3.29Š|
| 152 | L | 92.8 | Very high | 92.9 | Very high | 50 Ų | 50 | 68.5 Ų | 68.5 | 26% | 0.262 | 35% | 0.354 | S | S | . | . | trans | -130.3 | 111.4 | -172.4 | -66 | 171.4 | 0 | 0 | 0 | 109 | Y147 S149 P150 F154 D169 | Y147-L152 VanDerWaalsContact CB-O 3.25Å; Y147-L152 WeakPolarHBondContact CB-O 3.39Å; S149-L152 PolarHBondContact O-N 2.89Å; P150-L152 VanDerWaalsContact C-N 3.34Å; L152-F154 HydrophobicContact CB-CE2 3.97Å; L152-F154 HydrophobicContact CB-CZ 3.98Å; L152-D169 HydrophobicContact CD1-CB 3.74Å | ||
| 153 | T | 94.8 | Very high | 93.2 | Very high | 58 Ų | 58 | 62.5 Ų | 62.5 | 36% | 0.356 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 143.9 | -177.7 | 58.7 | 0 | 0 | 0 | 0 | 110.2 | Y146 | Y146-T153 CarbonylContact O-C 3.6Å; Y146-T153 WeakPolarHBondContact O-CA 3.37Å |
| 154 | F | 95.3 | Very high | 93.4 | Very high | 22 Ų | 22 | 58.5 Ų | 58.5 | 10% | 0.096 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 146.8 | -171.5 | -54.9 | -83.4 | 0 | 0 | 0 | 110.9 | W145 Y146 L152 D159 M160 H163 Y164 | W145-F154 CarbonylContact C-O 3.56Å; W145-F154 VanDerWaalsContact CA-O 3.22Å; W145-F154 WeakPolarHBondContact CA-O 3.43Å; W145-F154 VanDerWaalsContact CB-O 3.26Å; W145-F154 WeakPolarHBondContact CB-O 3.41Å; Y146-F154 PolarHBondContact N-O 2.81Å; Y146-F154 PolarHBondContact O-N 3.29Å; L152-F154 HydrophobicContact CB-CE2 3.97Å; L152-F154 HydrophobicContact CB-CZ 3.98Å; F154-D159 HydrophobicContact CB-CB 4.36Å; F154-D159 HydrophobicContact CD1-CB 4.28Å; F154-M160 HydrophobicContact CB-CB 3.92Å; F154-M160 HydrophobicContact CD1-CB 4.15Å; F154-M160 HydrophobicContact CD2-CB 3.55Å; F154-M160 HydrophobicContact CD2-CG 3.53Å; F154-M160 HydrophobicContact CD2-SD 4.3Å; F154-M160 HydrophobicContact CE2-CB 4.11Å; F154-M160 HydrophobicContact CE2-CG 3.72Å; F154-M160 HydrophobicContact CG-CB 3.58Å; F154-M160 HydrophobicContact CG-CG 4.11Å; F154-M160 HydrophobicContact CZ-CG 4.43Å; F154-H163 HydrophobicContact CE1-CB 3.55Å; F154-H163 AromaticContact CE1-CD2 3.87Å; F154-H163 AromaticContact CE1-CG 3.68Å; F154-H163 HydrophobicContact CZ-CB 3.96Å; F154-H163 AromaticContact CZ-CD2 3.41Å; F154-H163 VanDerWaalsContact CZ-CD2 3.41Å; F154-H163 WeakPolarHBondContact CZ-CD2 3.4Å; F154-H163 AromaticContact CZ-CG 3.74Å; F154-Y164 HydrophobicContact CE2-CE2 4.13Å; F154-Y164 HydrophobicContact CZ-CE2 4.45Å |
| 155 | Q | 94.2 | Very high | 93.6 | Very high | 136 Ų | 136 | 58 Ų | 58 | 64% | 0.636 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -77 | -31.8 | -178.8 | -64.2 | -177.8 | 50 | 0 | 0 | 112.2 | W145 | W145-Q155 HydrophobicContact CD2-CG 4.3Å; W145-Q155 HydrophobicContact CZ2-CG 3.85Å |
| 156 | C | 92.9 | Very high | 93.6 | Very high | 46 Ų | 46 | 60.3 Ų | 60.3 | 31% | 0.311 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -138.6 | 167.6 | 175.6 | 69 | 0 | 0 | 0 | 0 | 111.1 | E158 D159 M160 | C156-E158 VanDerWaalsContact C-N 3.3Å; C156-E158 PolarHBondContact O-N 3.46Å; C156-D159 PolarHBondContact SG-N 3.5Å; C156-D159 VanDerWaalsContact SG-N 3.41Å; C156-D159 PolarHBondContact SG-OD2 3.24Å; C156-M160 PolarHBondContact O-N 3.1Å |
| 157 | L | 93.4 | Very high | 93.5 | Very high | 14 Ų | 14 | 60.7 Ų | 60.7 | 7% | 0.073 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.4 | -33.1 | 177.4 | -70 | 173.6 | 0 | 0 | 0 | 112.2 | W88 L89 Y124 I138 Y146 M160 I161 | W88-L157 HydrophobicContact CH2-CB 3.71Å; W88-L157 HydrophobicContact CZ3-CB 4.05Å; W88-L157 HydrophobicContact CZ3-CD1 4.49Å; L89-L157 HydrophobicContact CD1-CD1 4.43Å; Y124-L157 HydrophobicContact CD1-CD1 3.95Å; Y124-L157 HydrophobicContact CD2-CD1 4.02Å; Y124-L157 HydrophobicContact CD2-CD2 4.33Å; Y124-L157 HydrophobicContact CE1-CD1 3.99Å; Y124-L157 HydrophobicContact CE2-CD1 4.05Å; Y124-L157 HydrophobicContact CG-CD1 3.97Å; Y124-L157 HydrophobicContact CG-CD2 4.41Å; I138-L157 HydrophobicContact CD1-CD2 4.23Å; I138-L157 HydrophobicContact CG2-CD2 4.12Å; Y146-L157 HydrophobicContact CD1-CD2 3.92Å; Y146-L157 HydrophobicContact CD1-CG 4.46Å; Y146-L157 HydrophobicContact CD2-CD2 4.45Å; Y146-L157 HydrophobicContact CD2-CG 4.43Å; Y146-L157 HydrophobicContact CE1-CD2 4.31Å; Y146-L157 HydrophobicContact CE1-CG 4.46Å; Y146-L157 HydrophobicContact CE2-CG 4.45Å; Y146-L157 HydrophobicContact CG-CD2 3.98Å; Y146-L157 HydrophobicContact CG-CG 4.43Å; L157-M160 HydrophobicContact CD2-CE 3.73Å; L157-M160 WeakPolarHBondContact O-CB 3.41Å; L157-M160 PolarHBondContact O-N 3.11Å; L157-I161 WeakPolarHBondContact O-CG1 3.23Å; L157-I161 PolarHBondContact O-N 3.45Å |
| 158 | E | 94.3 | Very high | 93.4 | Very high | 101 Ų | 101 | 59.4 Ų | 59.4 | 47% | 0.472 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.4 | -47.6 | 179.7 | -174 | 175.7 | -171.5 | 0 | 0 | 111.6 | W88 C156 M160 I161 N162 | W88-E158 HydrophobicContact CZ2-CB 4.33Å; C156-E158 VanDerWaalsContact C-N 3.3Å; C156-E158 PolarHBondContact O-N 3.46Å; E158-M160 VanDerWaalsContact C-N 3.26Å; E158-M160 PolarHBondContact O-N 3.34Å; E158-I161 PolarHBondContact O-N 3.14Å; E158-I161 VanDerWaalsContact O-N 3.12Å; E158-N162 VanDerWaalsContact O-CG 3.3Å; E158-N162 PolarHBondContact O-N 2.69Å; E158-N162 PolarHBondContact O-ND2 2.97Å |
| 159 | D | 94.8 | Very high | 93.2 | Very high | 72 Ų | 72 | 62 Ų | 62 | 39% | 0.385 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -57.6 | -40.8 | 175.1 | -70.6 | -18.1 | 0 | 0 | 0 | 111.9 | F154 C156 N162 H163 | F154-D159 HydrophobicContact CB-CB 4.36Å; F154-D159 HydrophobicContact CD1-CB 4.28Å; C156-D159 PolarHBondContact SG-N 3.5Å; C156-D159 VanDerWaalsContact SG-N 3.41Å; C156-D159 PolarHBondContact SG-OD2 3.24Å; D159-N162 PolarHBondContact O-N 3.05Å; D159-H163 WeakPolarHBondContact O-CB 3.24Å; D159-H163 PolarHBondContact O-N 2.86Å |
| 160 | M | 94.6 | Very high | 93 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.1 | -44.6 | 176.8 | -177.6 | -175.4 | 73.2 | 0 | 0 | 111.4 | I138 I148 F154 C156 L157 E158 H163 Y164 | I138-M160 HydrophobicContact CD1-CE 3.56Å; I138-M160 HydrophobicContact CG1-CE 3.84Å; I138-M160 HydrophobicContact CG1-SD 4.27Å; I138-M160 HydrophobicContact CG2-CE 4.3Å; I138-M160 HydrophobicContact CG2-SD 4.18Å; I148-M160 HydrophobicContact CD1-SD 4.1Å; I148-M160 HydrophobicContact CG1-SD 4.03Å; F154-M160 HydrophobicContact CB-CB 3.92Å; F154-M160 HydrophobicContact CD1-CB 4.15Å; F154-M160 HydrophobicContact CD2-CB 3.55Å; F154-M160 HydrophobicContact CD2-CG 3.53Å; F154-M160 HydrophobicContact CD2-SD 4.3Å; F154-M160 HydrophobicContact CE2-CB 4.11Å; F154-M160 HydrophobicContact CE2-CG 3.72Å; F154-M160 HydrophobicContact CG-CB 3.58Å; F154-M160 HydrophobicContact CG-CG 4.11Å; F154-M160 HydrophobicContact CZ-CG 4.43Å; C156-M160 PolarHBondContact O-N 3.1Å; L157-M160 HydrophobicContact CD2-CE 3.73Å; L157-M160 WeakPolarHBondContact O-CB 3.41Å; L157-M160 PolarHBondContact O-N 3.11Å; E158-M160 VanDerWaalsContact C-N 3.26Å; E158-M160 PolarHBondContact O-N 3.34Å; M160-H163 PolarHBondContact O-N 3.38Å; M160-Y164 HydrophobicContact CG-CD2 3.7Å; M160-Y164 HydrophobicContact CG-CE2 3.58Å; M160-Y164 WeakPolarHBondContact O-CD2 3.45Å; M160-Y164 PolarHBondContact O-N 2.87Å; M160-Y164 HydrophobicContact SD-CE2 4.32Å |
| 161 | I | 95 | Very high | 93.2 | Very high | 6 Ų | 6 | 59.3 Ų | 59.3 | 3% | 0.031 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.6 | -43.8 | 177.8 | -68.2 | -57 | 0 | 0 | 0 | 110.9 | W88 F112 V114 L126 L157 E158 H163 Y164 S165 L175 | W88-I161 HydrophobicContact CD2-CG1 4.38Å; W88-I161 HydrophobicContact CE3-CG1 4.17Å; W88-I161 HydrophobicContact CH2-CG1 4.4Å; W88-I161 HydrophobicContact CZ3-CG1 4.18Å; F112-I161 HydrophobicContact CD2-CD1 4.01Å; F112-I161 HydrophobicContact CE1-CG2 4.46Å; F112-I161 HydrophobicContact CE2-CD1 3.64Å; F112-I161 HydrophobicContact CE2-CG1 4.17Å; F112-I161 HydrophobicContact CE2-CG2 3.59Å; F112-I161 HydrophobicContact CZ-CG2 3.42Å; F112-I161 VanDerWaalsContact CZ-CG2 3.42Å; V114-I161 HydrophobicContact CG2-CD1 3.73Å; V114-I161 HydrophobicContact CG2-CG1 4.35Å; L126-I161 HydrophobicContact CD1-CD1 3.98Å; L157-I161 WeakPolarHBondContact O-CG1 3.23Å; L157-I161 PolarHBondContact O-N 3.45Å; E158-I161 PolarHBondContact O-N 3.14Å; E158-I161 VanDerWaalsContact O-N 3.12Å; I161-H163 PolarHBondContact O-N 3.48Å; I161-Y164 PolarHBondContact O-N 3.12Å; I161-S165 WeakPolarHBondContact O-CB 3.34Å; I161-S165 PolarHBondContact O-N 3.31Å; I161-S165 PolarHBondContact O-OG 2.82Å; I161-L175 HydrophobicContact CD1-CD1 3.72Å; I161-L175 HydrophobicContact CG2-CD1 4.32Å |
| 162 | N | 94.8 | Very high | 93.3 | Very high | 81 Ų | 81 | 52.1 Ų | 52.1 | 43% | 0.433 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.6 | -47.8 | 177.7 | -70.8 | -23.2 | 0 | 0 | 0 | 111 | E158 D159 Y164 S165 D166 | E158-N162 VanDerWaalsContact O-CG 3.3Å; E158-N162 PolarHBondContact O-N 2.69Å; E158-N162 PolarHBondContact O-ND2 2.97Å; D159-N162 PolarHBondContact O-N 3.05Å; N162-Y164 PolarHBondContact O-N 2.77Å; N162-S165 WeakPolarHBondContact O-CB 3.47Å; N162-S165 PolarHBondContact O-N 2.84Å; N162-S165 VanDerWaalsContact O-N 3.11Å; N162-D166 PolarHBondContact O-N 3.24Å |
| 163 | H | 95.1 | Very high | 93.3 | Very high | 47 Ų | 47 | 50.7 Ų | 50.7 | 22% | 0.218 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.2 | -49.3 | 176.3 | 173.9 | 74.5 | 0 | 0 | 0 | 112.6 | F154 D159 M160 I161 S165 D166 S167 D169 | F154-H163 HydrophobicContact CE1-CB 3.55Å; F154-H163 AromaticContact CE1-CD2 3.87Å; F154-H163 AromaticContact CE1-CG 3.68Å; F154-H163 HydrophobicContact CZ-CB 3.96Å; F154-H163 AromaticContact CZ-CD2 3.41Å; F154-H163 VanDerWaalsContact CZ-CD2 3.41Å; F154-H163 WeakPolarHBondContact CZ-CD2 3.4Å; F154-H163 AromaticContact CZ-CG 3.74Å; D159-H163 WeakPolarHBondContact O-CB 3.24Å; D159-H163 PolarHBondContact O-N 2.86Å; M160-H163 PolarHBondContact O-N 3.38Å; I161-H163 PolarHBondContact O-N 3.48Å; H163-S165 PolarHBondContact O-N 2.93Å; H163-D166 PolarHBondContact O-N 2.97Å; H163-D166 VanDerWaalsContact O-N 3.1Å; H163-S167 PolarHBondContact CE1-OG 3.47Å; H163-S167 PolarHBondContact O-N 2.91Å; H163-S167 PolarHBondContact O-OG 2.97Å; H163-D169 IonicContact CE1-OD2 3.07Å; H163-D169 PolarHBondContact CE1-OD2 3Å; H163-D169 IonicContact NE2-OD2 2.9Å; H163-D169 PolarHBondContact NE2-OD2 2.89Å |
| 164 | Y | 95.3 | Very high | 93.3 | Very high | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.008 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -71.1 | -11.8 | 179.8 | -73.8 | -61.6 | 0 | 0 | 0 | 114.1 | I148 F154 M160 I161 N162 S167 A168 D169 L171 T174 L175 | I148-Y164 HydrophobicContact CD1-CD2 4.4Å; I148-Y164 HydrophobicContact CD1-CE2 3.79Å; I148-Y164 HydrophobicContact CG1-CE2 4.42Å; F154-Y164 HydrophobicContact CE2-CE2 4.13Å; F154-Y164 HydrophobicContact CZ-CE2 4.45Å; M160-Y164 HydrophobicContact CG-CD2 3.7Å; M160-Y164 HydrophobicContact CG-CE2 3.58Å; M160-Y164 WeakPolarHBondContact O-CD2 3.45Å; M160-Y164 PolarHBondContact O-N 2.87Å; M160-Y164 HydrophobicContact SD-CE2 4.32Å; I161-Y164 PolarHBondContact O-N 3.12Å; N162-Y164 PolarHBondContact O-N 2.77Å; Y164-S167 CarbonylContact C-O 3.58Å; Y164-S167 VanDerWaalsContact CA-O 3.25Å; Y164-S167 WeakPolarHBondContact CA-O 3.43Å; Y164-A168 WeakPolarHBondContact CD1-O 3.48Å; Y164-D169 HydrophobicContact CE1-CB 4.29Å; Y164-L171 HydrophobicContact CD1-CD1 3.33Å; Y164-L171 HydrophobicContact CD1-CG 3.61Å; Y164-L171 HydrophobicContact CD2-CD1 4.07Å; Y164-L171 HydrophobicContact CE1-CD1 3.84Å; Y164-L171 HydrophobicContact CE1-CD2 4.28Å; Y164-L171 HydrophobicContact CE1-CG 3.67Å; Y164-L171 HydrophobicContact CG-CD1 3.47Å; Y164-L171 VanDerWaalsContact CG-CD1 3.47Å; Y164-L171 HydrophobicContact CG-CG 4.25Å; Y164-T174 WeakPolarHBondContact O-CA 3.26Å; Y164-L175 PolarHBondContact O-N 3.44Å |
| 165 | S | 93.8 | Very high | 93.3 | Very high | 41 Ų | 41 | 49.7 Ų | 49.7 | 29% | 0.287 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -77.4 | -35.9 | 170.6 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | I161 N162 H163 L175 | I161-S165 WeakPolarHBondContact O-CB 3.34Å; I161-S165 PolarHBondContact O-N 3.31Å; I161-S165 PolarHBondContact O-OG 2.82Å; N162-S165 WeakPolarHBondContact O-CB 3.47Å; N162-S165 PolarHBondContact O-N 2.84Å; N162-S165 VanDerWaalsContact O-N 3.11Å; H163-S165 PolarHBondContact O-N 2.93Å; S165-L175 VanDerWaalsContact CA-O 3.27Å; S165-L175 WeakPolarHBondContact CA-O 3.37Å; S165-L175 WeakPolarHBondContact CB-O 3.42Å |
| 166 | D | 94.1 | Very high | 93.2 | Very high | 142 Ų | 142 | 46.9 Ų | 46.9 | 76% | 0.759 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -78.5 | -44.6 | 176.5 | -68 | -25 | 0 | 0 | 0 | 112.2 | N162 H163 | N162-D166 PolarHBondContact O-N 3.24Å; H163-D166 PolarHBondContact O-N 2.97Å; H163-D166 VanDerWaalsContact O-N 3.1Å |
| 167 | S | 92.9 | Very high | 93.2 | Very high | 34 Ų | 34 | 47.2 Ų | 47.2 | 24% | 0.238 | 29% | 0.285 | C | S | . | . | trans | -136.6 | 137.1 | -176.3 | 55.7 | 0 | 0 | 0 | 0 | 112.4 | H163 Y164 D169 | H163-S167 PolarHBondContact CE1-OG 3.47Å; H163-S167 PolarHBondContact O-N 2.91Å; H163-S167 PolarHBondContact O-OG 2.97Å; Y164-S167 CarbonylContact C-O 3.58Å; Y164-S167 VanDerWaalsContact CA-O 3.25Å; Y164-S167 WeakPolarHBondContact CA-O 3.43Å; S167-D169 WeakPolarHBondContact CB-OD2 3.41Å; S167-D169 PolarHBondContact O-N 2.81Å; S167-D169 PolarHBondContact OG-OD2 3.13Å | ||
| 168 | A | 90.3 | Very high | 93.2 | Very high | 28 Ų | 28 | 48 Ų | 48 | 23% | 0.231 | 29% | 0.292 | C | S | . | . | trans | -71.1 | -32.3 | -179 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y164 G170 L171 T174 | Y164-A168 WeakPolarHBondContact CD1-O 3.48Å; A168-G170 PolarHBondContact O-N 2.89Å; A168-L171 VanDerWaalsContact O-CB 3.26Å; A168-L171 WeakPolarHBondContact O-CB 3.38Å; A168-L171 WeakPolarHBondContact O-CG 3.48Å; A168-L171 PolarHBondContact O-N 3.07Å; A168-T174 HydrophobicContact CB-CG2 4.05Å | ||
| 169 | D | 90.1 | Very high | 92.9 | Very high | 82 Ų | 82 | 43.2 Ų | 43.2 | 44% | 0.439 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 38.5 | 43.6 | 174.1 | -69.6 | -21.2 | 0 | 0 | 0 | 116.4 | L152 H163 Y164 S167 | L152-D169 HydrophobicContact CD1-CB 3.74Å; H163-D169 IonicContact CE1-OD2 3.07Å; H163-D169 PolarHBondContact CE1-OD2 3Å; H163-D169 IonicContact NE2-OD2 2.9Å; H163-D169 PolarHBondContact NE2-OD2 2.89Å; Y164-D169 HydrophobicContact CE1-CB 4.29Å; S167-D169 WeakPolarHBondContact CB-OD2 3.41Å; S167-D169 PolarHBondContact O-N 2.81Å; S167-D169 PolarHBondContact OG-OD2 3.13Å |
| 170 | G | 87.2 | Confident | 92.4 | Very high | 73 Ų | 73 | 41.1 Ų | 41.1 | 75% | 0.753 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 105.3 | -6.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | A168 | A168-G170 PolarHBondContact O-N 2.89Š|
| 171 | L | 92.2 | Very high | 91.3 | Very high | 17 Ų | 17 | 44.1 Ų | 44.1 | 9% | 0.089 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -74.9 | 166 | 165.3 | -56.9 | -171.7 | 0 | 0 | 0 | 111.3 | L126 Y136 I148 Y164 A168 C173 L175 | L126-L171 HydrophobicContact CD2-CD1 3.86Å; Y136-L171 HydrophobicContact CD1-CD2 3.57Å; Y136-L171 HydrophobicContact CD2-CD2 3.82Å; Y136-L171 HydrophobicContact CE1-CD2 3.57Å; Y136-L171 HydrophobicContact CE2-CD2 3.83Å; Y136-L171 HydrophobicContact CG-CD2 3.69Å; I148-L171 HydrophobicContact CD1-CD2 4.3Å; I148-L171 HydrophobicContact CG2-CD2 4.36Å; Y164-L171 HydrophobicContact CD1-CD1 3.33Å; Y164-L171 HydrophobicContact CD1-CG 3.61Å; Y164-L171 HydrophobicContact CD2-CD1 4.07Å; Y164-L171 HydrophobicContact CE1-CD1 3.84Å; Y164-L171 HydrophobicContact CE1-CD2 4.28Å; Y164-L171 HydrophobicContact CE1-CG 3.67Å; Y164-L171 HydrophobicContact CG-CD1 3.47Å; Y164-L171 VanDerWaalsContact CG-CD1 3.47Å; Y164-L171 HydrophobicContact CG-CG 4.25Å; A168-L171 VanDerWaalsContact O-CB 3.26Å; A168-L171 WeakPolarHBondContact O-CB 3.38Å; A168-L171 WeakPolarHBondContact O-CG 3.48Å; A168-L171 PolarHBondContact O-N 3.07Å; L171-C173 VanDerWaalsContact C-N 3.28Å; L171-C173 PolarHBondContact O-N 2.84Å; L171-L175 HydrophobicContact CD1-CD2 4.36Å |
| 172 | C | 91.3 | Very high | 89.6 | Confident | 42 Ų | 42 | 45.7 Ų | 45.7 | 28% | 0.284 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -67.9 | -28 | -179.6 | 56.7 | 0 | 0 | 0 | 0 | 113.4 | K134 Y136 | K134-C172 HydrophobicContact CG-CB 4.21Å; Y136-C172 WeakPolarHBondContact OH-CB 3.35Å; Y136-C172 PolarHBondContact OH-N 3.25Å |
| 173 | C | 92.9 | Very high | 87.5 | Confident | 20 Ų | 20 | 51.1 Ų | 51.1 | 14% | 0.135 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -162.5 | 166 | 177.3 | 53.5 | 0 | 0 | 0 | 0 | 109.2 | L171 | L171-C173 VanDerWaalsContact C-N 3.28Å; L171-C173 PolarHBondContact O-N 2.84Å |
| 174 | T | 95.3 | Very high | 85 | Confident | 56 Ų | 56 | 53 Ų | 53 | 34% | 0.344 | 34% | 0.34 | S | S | . | . | trans | -68 | 147.1 | 170.9 | 48.2 | 0 | 0 | 0 | 0 | 110.5 | G110 Y164 A168 | G110-T174 WeakPolarHBondContact CA-O 3.36Å; Y164-T174 WeakPolarHBondContact O-CA 3.26Å; A168-T174 HydrophobicContact CB-CG2 4.05Å | ||
| 175 | L | 94.8 | Very high | 82.4 | Confident | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.021 | 37% | 0.37 | C | S | . | . | trans | -73.8 | 127.8 | 174.6 | -55.1 | -176.1 | 0 | 0 | 0 | 108.9 | F112 L126 V128 I161 Y164 S165 L171 | F112-L175 HydrophobicContact CB-CD2 3.78Å; F112-L175 HydrophobicContact CD1-CB 3.65Å; F112-L175 HydrophobicContact CD1-CD1 4.35Å; F112-L175 HydrophobicContact CD1-CD2 4.11Å; F112-L175 HydrophobicContact CD1-CG 4.23Å; F112-L175 HydrophobicContact CD2-CD1 4.18Å; F112-L175 HydrophobicContact CE1-CB 3.79Å; F112-L175 HydrophobicContact CE1-CD1 4.48Å; F112-L175 HydrophobicContact CE2-CD1 4.33Å; F112-L175 HydrophobicContact CG-CB 4.24Å; F112-L175 HydrophobicContact CG-CD1 4.19Å; F112-L175 HydrophobicContact CG-CD2 3.91Å; F112-L175 HydrophobicContact CG-CG 4.33Å; F112-L175 HydrophobicContact CZ-CB 4.5Å; F112-L175 HydrophobicContact CZ-CD1 4.48Å; L126-L175 HydrophobicContact CD1-CD1 4.4Å; L126-L175 HydrophobicContact CD1-CD2 4.49Å; L126-L175 HydrophobicContact CD2-CD1 4.36Å; L126-L175 HydrophobicContact CD2-CD2 4.3Å; V128-L175 HydrophobicContact CG1-CD2 4.04Å; V128-L175 HydrophobicContact CG2-CD2 3.68Å; I161-L175 HydrophobicContact CD1-CD1 3.72Å; I161-L175 HydrophobicContact CG2-CD1 4.32Å; Y164-L175 PolarHBondContact O-N 3.44Å; S165-L175 VanDerWaalsContact CA-O 3.27Å; S165-L175 WeakPolarHBondContact CA-O 3.37Å; S165-L175 WeakPolarHBondContact CB-O 3.42Å; L171-L175 HydrophobicContact CD1-CD2 4.36Å | ||
| 176 | T | 92.1 | Very high | 79.9 | Confident | 77 Ų | 77 | 61 Ų | 61 | 47% | 0.472 | 39% | 0.385 | S | S | . | . | trans | -108.4 | -63.6 | -175.4 | 53.3 | 0 | 0 | 0 | 0 | 111.1 | V109 G110 S111 | V109-T176 PolarHBondContact O-OG1 3.06Å; G110-T176 WeakPolarHBondContact CA-OG1 3.43Å; G110-T176 PolarHBondContact O-N 2.63Å; G110-T176 PolarHBondContact O-OG1 3.39Å; S111-T176 PolarHBondContact N-OG1 3.48Å | ||
| 177 | T | 92.9 | Very high | 77.7 | Confident | 52 Ų | 52 | 59.9 Ų | 59.9 | 32% | 0.319 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -133.3 | 146 | -177.3 | 65.3 | 0 | 0 | 0 | 0 | 110.8 | S111 F112 | S111-T177 CarbonylContact C-O 3.54Å; S111-T177 WeakPolarHBondContact CA-O 3.24Å; S111-T177 PolarHBondContact OG-OG1 2.97Å; S111-T177 VanDerWaalsContact OG-OG1 3.06Å; F112-T177 VanDerWaalsContact CD1-O 3.29Å; F112-T177 WeakPolarHBondContact CD1-O 3.44Å; F112-T177 PolarHBondContact N-O 3.49Å |
| 178 | P | 92.7 | Very high | 75.2 | Confident | 32 Ų | 32 | 65.9 Ų | 65.9 | 21% | 0.208 | 41% | 0.41 | C | S | . | . | B | Isolated β-bridge | trans | -54.9 | 151 | 165.8 | -25.5 | 35.3 | 0 | 0 | 0 | 111.7 | G87 W88 F112 L180 S181 | G87-P178 WeakPolarHBondContact O-CB 3.16Å; W88-P178 HydrophobicContact CB-CB 3.97Å; W88-P178 HydrophobicContact CB-CG 4.24Å; F112-P178 HydrophobicContact CZ-CG 4.35Å; F112-P178 CarbonylContact O-C 3.59Å; P178-L180 PolarHBondContact O-N 2.77Å; P178-S181 WeakPolarHBondContact O-CB 3.48Å; P178-S181 PolarHBondContact O-N 3.12Å; P178-S181 VanDerWaalsContact O-N 3.14Å |
| 179 | C | 89.2 | Confident | 73.2 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 44% | 0.437 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 134.7 | 173.5 | -169.8 | 0 | 0 | 0 | 0 | 109.7 | F90 L102 F112 L113 S181 | F90-C179 HydrophobicContact CE2-CB 4.44Å; F90-C179 HydrophobicContact CZ-CB 4.35Å; L102-C179 HydrophobicContact CD2-CB 3.88Å; F112-C179 WeakPolarHBondContact O-CB 3.33Å; F112-C179 PolarHBondContact O-N 2.88Å; L113-C179 HydrophobicContact CB-CB 3.95Å; L113-C179 HydrophobicContact CD2-CB 3.97Å; C179-S181 PolarHBondContact O-N 3.3Å |
| 180 | L | 84.5 | Confident | 71.5 | Confident | 27 Ų | 27 | 73.5 Ų | 73.5 | 14% | 0.141 | 45% | 0.452 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 21.7 | 179.6 | -44.9 | 162.7 | 0 | 0 | 0 | 113.2 | V32 G50 K52 L101 L104 N107 P178 | V32-L180 HydrophobicContact CG1-CD1 3.58Å; V32-L180 HydrophobicContact CG2-CD1 4.23Å; G50-L180 WeakPolarHBondContact O-CD1 3.42Å; K52-L180 WeakPolarHBondContact CE-O 3.44Å; K52-L180 PolarHBondContact NZ-O 2.9Å; L101-L180 HydrophobicContact CD2-CD1 4.31Å; L104-L180 HydrophobicContact CB-CD2 4.44Å; L104-L180 HydrophobicContact CD1-CD2 3.79Å; N107-L180 PolarHBondContact OD1-N 2.81Å; P178-L180 PolarHBondContact O-N 2.77Å |
| 181 | S | 71.6 | Confident | 69.8 | Low | 64 Ų | 64 | 76.1 Ų | 76.1 | 45% | 0.448 | 46% | 0.455 | S | S | . | . | trans | -77.9 | -25.6 | 173.1 | -172.4 | 0 | 0 | 0 | 0 | 112 | P178 C179 K183 | P178-S181 WeakPolarHBondContact O-CB 3.48Å; P178-S181 PolarHBondContact O-N 3.12Å; P178-S181 VanDerWaalsContact O-N 3.14Å; C179-S181 PolarHBondContact O-N 3.3Å; S181-K183 PolarHBondContact O-N 3.05Å | ||
| 182 | G | 59.5 | Low | 68.2 | Low | 38 Ų | 38 | 77.8 Ų | 77.8 | 39% | 0.392 | 48% | 0.477 | S | S | . | . | trans | -79 | 108.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A184 | G182-A184 PolarHBondContact O-N 3.41Š| ||
| 183 | K | 49.6 | Very low | 66.6 | Low | 195 Ų | 195 | 81.4 Ų | 81.4 | 85% | 0.848 | 50% | 0.5 | S | S | * | . | trans | -51 | 130.4 | 144.9 | -146.8 | 175.6 | -171.5 | 177.1 | 0 | 105.8 | S181 E185 | S181-K183 PolarHBondContact O-N 3.05Å; K183-E185 PolarHBondContact O-N 3.46Å | ||
| 184 | A | 42.2 | Very low | 65 | Low | 88 Ų | 88 | 85.8 Ų | 85.8 | 73% | 0.727 | 53% | 0.528 | S | S | * | . | trans | -60.9 | 88.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | G182 A186 | G182-A184 PolarHBondContact O-N 3.41Å; A184-A186 VanDerWaalsContact C-N 3.35Å; A184-A186 PolarHBondContact O-N 2.99Å | ||
| 185 | E | 40.4 | Very low | 63.2 | Low | 137 Ų | 137 | 88.6 Ų | 88.6 | 64% | 0.64 | 55% | 0.547 | S | S | * | . | trans | -61.1 | 110.3 | 155.4 | -90.7 | -178.7 | 156.1 | 0 | 0 | 105 | K183 | K183-E185 PolarHBondContact O-N 3.46Š| ||
| 186 | A | 42.8 | Very low | 61.5 | Low | 72 Ų | 72 | 94.8 Ų | 94.8 | 60% | 0.595 | 59% | 0.585 | S | S | * | * | trans | -41.5 | 142 | 161.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | A184 E188 | A184-A186 VanDerWaalsContact C-N 3.35Å; A184-A186 PolarHBondContact O-N 2.99Å; A186-E188 PolarHBondContact O-N 3.39Å | ||
| 187 | P | 47.2 | Very low | 60.1 | Low | 120 Ų | 120 | 96.3 Ų | 96.3 | 78% | 0.779 | 59% | 0.594 | S | S | * | * | trans | -49.5 | 123.8 | 176.9 | 22.9 | -32.4 | 0 | 0 | 0 | 107.5 | T189 | P187-T189 VanDerWaalsContact C-N 3.3Å; P187-T189 PolarHBondContact O-N 3.21Å | ||
| 188 | E | 41.6 | Very low | 58.1 | Low | 159 Ų | 159 | 100.8 Ų | 100.8 | 74% | 0.743 | 61% | 0.613 | S | S | * | * | trans | -51.1 | 98.8 | -177.9 | -66.2 | -166.2 | -162.6 | 0 | 0 | 109 | A186 N190 | A186-E188 PolarHBondContact O-N 3.39Å; E188-N190 VanDerWaalsContact C-N 3.28Å; E188-N190 PolarHBondContact O-N 2.96Å; E188-N190 VanDerWaalsContact O-N 3.11Å | ||
| 189 | T | 46.3 | Very low | 56.5 | Low | 129 Ų | 129 | 107.3 Ų | 107.3 | 79% | 0.791 | 63% | 0.633 | S | S | * | * | trans | -71.8 | 102.3 | 155.9 | 14.6 | 0 | 0 | 0 | 0 | 102.4 | P187 P191 | P187-T189 VanDerWaalsContact C-N 3.3Å; P187-T189 PolarHBondContact O-N 3.21Å; T189-P191 VanDerWaalsContact O-N 3.16Å | ||
| 190 | N | 55.8 | Low | 55 | Low | 142 Ų | 142 | 115.4 Ų | 115.4 | 76% | 0.759 | 67% | 0.671 | S | S | * | * | trans | -27.1 | 123.7 | 162.3 | -86.7 | -53.3 | 0 | 0 | 0 | 108.4 | E188 G192 | E188-N190 VanDerWaalsContact C-N 3.28Å; E188-N190 PolarHBondContact O-N 2.96Å; E188-N190 VanDerWaalsContact O-N 3.11Å; N190-G192 PolarHBondContact O-N 3.04Å | ||
| 191 | P | 50.8 | Low | 53.9 | Low | 127 Ų | 127 | 121.5 Ų | 121.5 | 83% | 0.825 | 70% | 0.704 | S | S | * | * | trans | -65.1 | 92 | 170 | 26.8 | -30.2 | 0 | 0 | 0 | 105.7 | T189 | T189-P191 VanDerWaalsContact O-N 3.16Š| ||
| 192 | G | 58.4 | Low | 53.8 | Low | 52 Ų | 52 | 121.2 Ų | 121.2 | 54% | 0.536 | 69% | 0.694 | S | S | . | * | P | Polyproline II helix | trans | -51.6 | 143.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | N190 | N190-G192 PolarHBondContact O-N 3.04Š|
| 193 | P | 58.7 | Low | 54.4 | Low | 119 Ų | 119 | 122.7 Ų | 122.7 | 77% | 0.773 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 137.8 | -179.1 | 20.1 | -31.5 | 0 | 0 | 0 | 109.4 | ||
| 194 | P | 59.4 | Low | 55.2 | Low | 112 Ų | 112 | 122.8 Ų | 122.8 | 73% | 0.727 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 134.7 | -174.9 | 21 | -32.3 | 0 | 0 | 0 | 109.2 | V196 | P194-V196 PolarHBondContact O-N 3.34Š|
| 195 | P | 57.5 | Low | 56.6 | Low | 114 Ų | 114 | 128 Ų | 128 | 74% | 0.74 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -57 | 127.4 | -174.9 | 22.2 | -32.5 | 0 | 0 | 0 | 109.4 | V197 | P195-V197 VanDerWaalsContact C-N 3.34Å; P195-V197 WeakPolarHBondContact O-CG2 3.49Å; P195-V197 PolarHBondContact O-N 3.49Å |
| 196 | V | 58.8 | Low | 58 | Low | 135 Ų | 135 | 130.8 Ų | 130.8 | 82% | 0.818 | 70% | 0.699 | S | S | * | * | trans | -66.3 | 96.9 | 173.7 | -179.7 | 0 | 0 | 0 | 0 | 107.2 | P194 M198 | P194-V196 PolarHBondContact O-N 3.34Å; V196-M198 PolarHBondContact O-N 2.99Å | ||
| 197 | V | 62.3 | Low | 59.2 | Low | 109 Ų | 109 | 128.5 Ų | 128.5 | 66% | 0.661 | 68% | 0.677 | S | S | * | * | trans | -72.4 | 100 | 178.9 | -175.1 | 0 | 0 | 0 | 0 | 108.7 | P195 R199 | P195-V197 VanDerWaalsContact C-N 3.34Å; P195-V197 WeakPolarHBondContact O-CG2 3.49Å; P195-V197 PolarHBondContact O-N 3.49Å; V197-R199 HydrophobicContact CG1-CG 4.1Å; V197-R199 PolarHBondContact O-N 3.48Å; V197-R199 VanDerWaalsContact O-N 3.11Å | ||
| 198 | M | 51.3 | Low | 60.3 | Low | 146 Ų | 146 | 127.2 Ų | 127.2 | 72% | 0.719 | 66% | 0.663 | S | S | * | * | trans | -68.7 | 101.6 | 165.5 | -78.5 | -73 | -79.6 | 0 | 0 | 108.7 | V196 H200 | V196-M198 PolarHBondContact O-N 2.99Å; M198-H200 PolarHBondContact O-N 2.94Å | ||
| 199 | R | 59.4 | Low | 61.5 | Low | 168 Ų | 168 | 129.7 Ų | 129.7 | 63% | 0.634 | 67% | 0.666 | S | S | * | * | trans | -78.3 | 103.3 | 176 | -66.3 | -173.9 | 176 | -168.5 | -3.3 | 109.1 | V197 N201 | V197-R199 HydrophobicContact CG1-CG 4.1Å; V197-R199 PolarHBondContact O-N 3.48Å; V197-R199 VanDerWaalsContact O-N 3.11Å; R199-N201 PolarHBondContact O-N 2.81Å | ||
| 200 | H | 57.4 | Low | 62.5 | Low | 171 Ų | 171 | 131.3 Ų | 131.3 | 79% | 0.792 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -3.2 | -179.7 | -84.1 | -74.5 | 0 | 0 | 0 | 115.2 | M198 | M198-H200 PolarHBondContact O-N 2.94Š|
| 201 | N | 60.9 | Low | 63 | Low | 155 Ų | 155 | 127.7 Ų | 127.7 | 83% | 0.829 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.6 | 28.2 | 179.4 | -82.9 | 78.5 | 0 | 0 | 0 | 113.6 | R199 D203 | R199-N201 PolarHBondContact O-N 2.81Å; N201-D203 PolarHBondContact O-N 3.24Å |
| 202 | F | 68.6 | Low | 63.8 | Low | 57 Ų | 57 | 123.7 Ų | 123.7 | 25% | 0.25 | 61% | 0.612 | C | S | . | * | trans | -80.9 | 102.4 | -177.7 | -162.6 | -85.4 | 0 | 0 | 0 | 111.4 | W204 I207 M222 V223 | F202-W204 HydrophobicContact CB-CZ3 4.49Å; F202-W204 AromaticContact CD1-CD2 3.75Å; F202-W204 HydrophobicContact CD1-CD2 3.75Å; F202-W204 AromaticContact CD1-CE3 3.33Å; F202-W204 HydrophobicContact CD1-CE3 3.33Å; F202-W204 AromaticContact CD1-CH2 3.63Å; F202-W204 HydrophobicContact CD1-CH2 3.63Å; F202-W204 HydrophobicContact CD1-CZ2 4.04Å; F202-W204 AromaticContact CD1-CZ3 3.26Å; F202-W204 HydrophobicContact CD1-CZ3 3.26Å; F202-W204 AromaticContact CE1-CD2 3.6Å; F202-W204 HydrophobicContact CE1-CD2 3.6Å; F202-W204 AromaticContact CE1-CE2 3.55Å; F202-W204 AromaticContact CE1-CE3 3.7Å; F202-W204 HydrophobicContact CE1-CE3 3.7Å; F202-W204 HydrophobicContact CE1-CG 4.26Å; F202-W204 AromaticContact CE1-CH2 3.68Å; F202-W204 HydrophobicContact CE1-CH2 3.68Å; F202-W204 AromaticContact CE1-CZ2 3.61Å; F202-W204 HydrophobicContact CE1-CZ2 3.61Å; F202-W204 AromaticContact CE1-CZ3 3.74Å; F202-W204 HydrophobicContact CE1-CZ3 3.74Å; F202-W204 HydrophobicContact CG-CZ3 4.23Å; F202-I207 HydrophobicContact CD1-CD1 4.24Å; F202-I207 HydrophobicContact CE1-CD1 3.3Å; F202-I207 HydrophobicContact CE2-CD1 4.31Å; F202-I207 HydrophobicContact CZ-CD1 3.36Å; F202-M222 WeakPolarHBondContact CE2-O 3.44Å; F202-V223 HydrophobicContact CE2-CG2 4.31Å; F202-V223 HydrophobicContact CZ-CG2 3.92Å | ||
| 203 | D | 72.4 | Confident | 64.1 | Low | 70 Ų | 70 | 124.6 Ų | 124.6 | 37% | 0.374 | 61% | 0.607 | S | S | . | * | trans | -94.8 | 105.9 | 177.9 | -172.9 | -3 | 0 | 0 | 0 | 111.3 | N201 K205 R206 M222 | N201-D203 PolarHBondContact O-N 3.24Å; D203-K205 PolarHBondContact O-N 3.43Å; D203-K205 VanDerWaalsContact O-N 3.16Å; D203-K205 WeakPolarHBondContact OD1-CB 3.3Å; D203-K205 PolarHBondContact OD1-N 2.94Å; D203-R206 HydrophobicContact CB-CG 4.32Å; D203-R206 PolarHBondContact O-N 2.89Å; D203-M222 WeakPolarHBondContact O-CE 3.38Å | ||
| 204 | W | 67.8 | Low | 64.5 | Low | 196 Ų | 196 | 121.4 Ų | 121.4 | 74% | 0.742 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -61.6 | -20.7 | 179.4 | -103.3 | -89.2 | 0 | 0 | 0 | 114 | F202 R206 | F202-W204 HydrophobicContact CB-CZ3 4.49Å; F202-W204 AromaticContact CD1-CD2 3.75Å; F202-W204 HydrophobicContact CD1-CD2 3.75Å; F202-W204 AromaticContact CD1-CE3 3.33Å; F202-W204 HydrophobicContact CD1-CE3 3.33Å; F202-W204 AromaticContact CD1-CH2 3.63Å; F202-W204 HydrophobicContact CD1-CH2 3.63Å; F202-W204 HydrophobicContact CD1-CZ2 4.04Å; F202-W204 AromaticContact CD1-CZ3 3.26Å; F202-W204 HydrophobicContact CD1-CZ3 3.26Å; F202-W204 AromaticContact CE1-CD2 3.6Å; F202-W204 HydrophobicContact CE1-CD2 3.6Å; F202-W204 AromaticContact CE1-CE2 3.55Å; F202-W204 AromaticContact CE1-CE3 3.7Å; F202-W204 HydrophobicContact CE1-CE3 3.7Å; F202-W204 HydrophobicContact CE1-CG 4.26Å; F202-W204 AromaticContact CE1-CH2 3.68Å; F202-W204 HydrophobicContact CE1-CH2 3.68Å; F202-W204 AromaticContact CE1-CZ2 3.61Å; F202-W204 HydrophobicContact CE1-CZ2 3.61Å; F202-W204 AromaticContact CE1-CZ3 3.74Å; F202-W204 HydrophobicContact CE1-CZ3 3.74Å; F202-W204 HydrophobicContact CG-CZ3 4.23Å; W204-R206 VanDerWaalsContact C-N 3.29Å; W204-R206 PolarHBondContact O-N 2.99Å |
| 205 | K | 71.4 | Confident | 64.7 | Low | 198 Ų | 198 | 120 Ų | 120 | 86% | 0.861 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -77.8 | -16.5 | -178.1 | -63 | -177.3 | 179.8 | 178.6 | 0 | 113 | D203 | D203-K205 PolarHBondContact O-N 3.43Å; D203-K205 VanDerWaalsContact O-N 3.16Å; D203-K205 WeakPolarHBondContact OD1-CB 3.3Å; D203-K205 PolarHBondContact OD1-N 2.94Å |
| 206 | R | 68.9 | Low | 65 | Low | 195 Ų | 195 | 120.4 Ų | 120.4 | 74% | 0.736 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -94.6 | 1.1 | -177.9 | -64.5 | -179.4 | 71.8 | -175.2 | 1.7 | 113.7 | D203 W204 M222 | D203-R206 HydrophobicContact CB-CG 4.32Å; D203-R206 PolarHBondContact O-N 2.89Å; W204-R206 VanDerWaalsContact C-N 3.29Å; W204-R206 PolarHBondContact O-N 2.99Å; R206-M222 HydrophobicContact CB-CE 4.45Å |
| 207 | I | 68.6 | Low | 65 | Low | 24 Ų | 24 | 119.7 Ų | 119.7 | 12% | 0.123 | 57% | 0.574 | C | S | . | * | trans | -95.6 | 121.9 | -174.5 | -60.4 | 166.1 | 0 | 0 | 0 | 109.7 | F202 L212 M222 V223 | F202-I207 HydrophobicContact CD1-CD1 4.24Å; F202-I207 HydrophobicContact CE1-CD1 3.3Å; F202-I207 HydrophobicContact CE2-CD1 4.31Å; F202-I207 HydrophobicContact CZ-CD1 3.36Å; I207-L212 HydrophobicContact CG2-CD1 4.32Å; I207-L212 HydrophobicContact CG2-CD2 3.98Å; I207-L212 HydrophobicContact CG2-CG 3.94Å; I207-M222 HydrophobicContact CD1-CE 3.98Å; I207-M222 HydrophobicContact CG1-CE 3.58Å; I207-V223 HydrophobicContact CD1-CG2 4.01Å; I207-V223 HydrophobicContact CG1-CG2 4.41Å; I207-V223 HydrophobicContact CG2-CG2 4.07Å | ||
| 208 | D | 70.4 | Confident | 64.7 | Low | 93 Ų | 93 | 122.9 Ų | 122.9 | 50% | 0.497 | 58% | 0.582 | S | S | . | * | trans | -75.7 | 136.4 | 171.1 | -169.6 | 3.8 | 0 | 0 | 0 | 110.2 | K210 Q211 | D208-K210 PolarHBondContact O-N 3.39Å; D208-K210 VanDerWaalsContact O-N 3.12Å; D208-Q211 HydrophobicContact CB-CG 4.44Å; D208-Q211 WeakPolarHBondContact O-CB 3.44Å; D208-Q211 PolarHBondContact O-N 3.48Å | ||
| 209 | R | 66.5 | Low | 64.7 | Low | 212 Ų | 212 | 120.1 Ų | 120.1 | 80% | 0.8 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -58.5 | -29.3 | -176.9 | -75.4 | -177.8 | 177.4 | 170.3 | -0.7 | 112.5 | Q211 L212 | R209-Q211 VanDerWaalsContact C-N 3.31Å; R209-Q211 PolarHBondContact O-N 2.6Å; R209-L212 PolarHBondContact O-N 3.21Å |
| 210 | K | 67.3 | Low | 64.6 | Low | 162 Ų | 162 | 120.1 Ų | 120.1 | 70% | 0.704 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -66.4 | -33.4 | 178.4 | -64.1 | 179.9 | -178.8 | 178 | 0 | 112.1 | D208 L212 V213 S214 | D208-K210 PolarHBondContact O-N 3.39Å; D208-K210 VanDerWaalsContact O-N 3.12Å; K210-L212 VanDerWaalsContact C-N 3.26Å; K210-L212 PolarHBondContact O-N 2.93Å; K210-V213 PolarHBondContact O-N 2.87Å; K210-S214 PolarHBondContact O-N 3.44Å; K210-S214 PolarHBondContact O-OG 3.44Å |
| 211 | Q | 66.3 | Low | 65 | Low | 66 Ų | 66 | 112.9 Ų | 112.9 | 31% | 0.308 | 56% | 0.556 | S | S | . | * | G | 310 helix | trans | -72.7 | -15.5 | -179.4 | -66.7 | -166.5 | -64.7 | 0 | 0 | 114.1 | D208 R209 N221 R228 | D208-Q211 HydrophobicContact CB-CG 4.44Å; D208-Q211 WeakPolarHBondContact O-CB 3.44Å; D208-Q211 PolarHBondContact O-N 3.48Å; R209-Q211 VanDerWaalsContact C-N 3.31Å; R209-Q211 PolarHBondContact O-N 2.6Å; Q211-N221 PolarHBondContact O-ND2 3.27Å; Q211-R228 WeakPolarHBondContact O-CD 3.38Å |
| 212 | L | 66.8 | Low | 65.3 | Low | 43 Ų | 43 | 108.5 Ų | 108.5 | 23% | 0.225 | 53% | 0.532 | C | S | . | . | G | 310 helix | trans | -78.9 | -22.2 | 179.1 | -69.3 | 171.8 | 0 | 0 | 0 | 113.2 | I207 R209 K210 V223 I231 | I207-L212 HydrophobicContact CG2-CD1 4.32Å; I207-L212 HydrophobicContact CG2-CD2 3.98Å; I207-L212 HydrophobicContact CG2-CG 3.94Å; R209-L212 PolarHBondContact O-N 3.21Å; K210-L212 VanDerWaalsContact C-N 3.26Å; K210-L212 PolarHBondContact O-N 2.93Å; L212-V223 HydrophobicContact CD2-CB 4.47Å; L212-V223 HydrophobicContact CD2-CG1 4.16Å; L212-V223 HydrophobicContact CD2-CG2 3.88Å; L212-I231 HydrophobicContact CD2-CD1 4.18Å |
| 213 | V | 65.1 | Low | 65.5 | Low | 72 Ų | 72 | 106 Ų | 106 | 44% | 0.436 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | -11.7 | -174 | -166.4 | 0 | 0 | 0 | 0 | 111.7 | K210 T215 L235 | K210-V213 PolarHBondContact O-N 2.87Å; V213-T215 PolarHBondContact O-N 2.77Å; V213-L235 HydrophobicContact CG2-CD1 3.8Å |
| 214 | S | 68.3 | Low | 65.6 | Low | 51 Ų | 51 | 106 Ų | 106 | 36% | 0.357 | 53% | 0.526 | S | S | . | . | trans | -67.8 | 118.9 | 177 | -56.9 | 0 | 0 | 0 | 0 | 112.4 | K210 | K210-S214 PolarHBondContact O-N 3.44Å; K210-S214 PolarHBondContact O-OG 3.44Å | ||
| 215 | T | 62.5 | Low | 66.1 | Low | 84 Ų | 84 | 102.8 Ų | 102.8 | 52% | 0.515 | 52% | 0.515 | S | S | . | . | trans | -89.2 | 1.7 | 172.9 | 36.5 | 0 | 0 | 0 | 0 | 114.2 | V213 S217 | V213-T215 PolarHBondContact O-N 2.77Å; T215-S217 PolarHBondContact O-N 3.41Å | ||
| 216 | D | 63.9 | Low | 66.6 | Low | 121 Ų | 121 | 95.2 Ų | 95.2 | 65% | 0.647 | 49% | 0.494 | S | S | * | . | trans | -68 | 131 | 179.1 | -77 | -25 | 0 | 0 | 0 | 111.9 | Q218 | D216-Q218 PolarHBondContact O-N 3.49Š| ||
| 217 | S | 59.1 | Low | 67.2 | Low | 120 Ų | 120 | 89.1 Ų | 89.1 | 84% | 0.839 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -73.7 | -2.7 | -176.3 | -50 | 0 | 0 | 0 | 0 | 113.8 | T215 | T215-S217 PolarHBondContact O-N 3.41Š|
| 218 | Q | 56.8 | Low | 67.9 | Low | 177 Ų | 177 | 89.3 Ų | 89.3 | 83% | 0.827 | 48% | 0.477 | S | S | * | . | trans | -118 | 106.4 | -178.3 | -111.4 | -178.8 | -13.8 | 0 | 0 | 110.6 | D216 | D216-Q218 PolarHBondContact O-N 3.49Š| ||
| 219 | S | 51.4 | Low | 68.4 | Low | 88 Ų | 88 | 88.5 Ų | 88.5 | 62% | 0.615 | 47% | 0.473 | S | S | * | . | S | Bend | trans | 158.6 | 158.2 | 143.5 | 50.8 | 0 | 0 | 0 | 0 | 110.7 | N221 | S219-N221 PolarHBondContact O-N 3.03Š|
| 220 | D | 56.2 | Low | 69.1 | Low | 168 Ų | 168 | 82.1 Ų | 82.1 | 90% | 0.898 | 46% | 0.461 | S | S | * | . | trans | -58.6 | 64.6 | 174.3 | -161.3 | 11.4 | 0 | 0 | 0 | 112.3 | ||||
| 221 | N | 65.1 | Low | 69.7 | Low | 18 Ų | 18 | 77 Ų | 77 | 10% | 0.096 | 44% | 0.44 | C | S | . | . | trans | -90.6 | 125.9 | -177.3 | -161.9 | -13.6 | 0 | 0 | 0 | 109.6 | Q211 S219 V223 R228 | Q211-N221 PolarHBondContact O-ND2 3.27Å; S219-N221 PolarHBondContact O-N 3.03Å; N221-V223 PolarHBondContact O-N 3.38Å; N221-V223 VanDerWaalsContact O-N 3.11Å; N221-V223 PolarHBondContact OD1-N 3.42Å; N221-R228 VanDerWaalsContact ND2-CD 3.27Å; N221-R228 WeakPolarHBondContact ND2-CD 3.44Å; N221-R228 PolarHBondContact ND2-NH1 3.37Å | ||
| 222 | M | 68.4 | Low | 70.1 | Confident | 64 Ų | 64 | 74.5 Ų | 74.5 | 32% | 0.315 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -63.9 | -19.8 | -177.2 | -154.1 | 169.7 | 76.4 | 0 | 0 | 112.1 | F202 D203 R206 I207 | F202-M222 WeakPolarHBondContact CE2-O 3.44Å; D203-M222 WeakPolarHBondContact O-CE 3.38Å; R206-M222 HydrophobicContact CB-CE 4.45Å; I207-M222 HydrophobicContact CD1-CE 3.98Å; I207-M222 HydrophobicContact CG1-CE 3.58Å |
| 223 | V | 71.6 | Confident | 70.8 | Confident | 3 Ų | 3 | 74.4 Ų | 74.4 | 2% | 0.018 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -98.5 | 132.3 | 179.7 | -168.7 | 0 | 0 | 0 | 0 | 111.7 | F202 I207 L212 N221 V227 R228 | F202-V223 HydrophobicContact CE2-CG2 4.31Å; F202-V223 HydrophobicContact CZ-CG2 3.92Å; I207-V223 HydrophobicContact CD1-CG2 4.01Å; I207-V223 HydrophobicContact CG1-CG2 4.41Å; I207-V223 HydrophobicContact CG2-CG2 4.07Å; L212-V223 HydrophobicContact CD2-CB 4.47Å; L212-V223 HydrophobicContact CD2-CG1 4.16Å; L212-V223 HydrophobicContact CD2-CG2 3.88Å; N221-V223 PolarHBondContact O-N 3.38Å; N221-V223 VanDerWaalsContact O-N 3.11Å; N221-V223 PolarHBondContact OD1-N 3.42Å; V223-V227 HydrophobicContact CG1-CB 3.86Å; V223-V227 HydrophobicContact CG1-CG1 3.6Å; V223-R228 HydrophobicContact CB-CG 4.18Å; V223-R228 HydrophobicContact CG1-CG 3.93Å; V223-R228 PolarHBondContact O-NE 2.8Å; V223-R228 PolarHBondContact O-NH2 3.05Å |
| 224 | S | 76.4 | Confident | 71.5 | Confident | 70 Ų | 70 | 78.7 Ų | 78.7 | 49% | 0.49 | 45% | 0.446 | S | S | . | . | trans | -63.9 | 151.5 | -178.9 | 73.7 | 0 | 0 | 0 | 0 | 112.2 | G226 V227 R228 | S224-G226 VanDerWaalsContact C-N 3.28Å; S224-G226 PolarHBondContact O-N 3.07Å; S224-V227 PolarHBondContact O-N 2.94Å; S224-V227 WeakPolarHBondContact OG-CG2 3.26Å; S224-V227 PolarHBondContact OG-N 2.79Å; S224-R228 WeakPolarHBondContact O-CG 3.22Å; S224-R228 PolarHBondContact O-N 2.9Å; S224-R228 VanDerWaalsContact O-N 3.08Å; S224-R228 PolarHBondContact O-NE 2.91Å | ||
| 225 | Y | 78.4 | Confident | 71.9 | Confident | 129 Ų | 129 | 78.9 Ų | 78.9 | 51% | 0.506 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -56.8 | -41.8 | 177.3 | 175.2 | -95.6 | 0 | 0 | 0 | 112.1 | V227 R228 N229 | Y225-V227 PolarHBondContact O-N 2.87Å; Y225-R228 PolarHBondContact O-N 3.47Å; Y225-N229 HydrophobicContact CE1-CB 4.4Å; Y225-N229 WeakPolarHBondContact O-CB 3.33Å; Y225-N229 PolarHBondContact O-N 3.06Å |
| 226 | G | 80.5 | Confident | 72.5 | Confident | 40 Ų | 40 | 79.7 Ų | 79.7 | 41% | 0.412 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.2 | -41.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | S224 S230 | S224-G226 VanDerWaalsContact C-N 3.28Å; S224-G226 PolarHBondContact O-N 3.07Å; G226-S230 WeakPolarHBondContact O-CB 3.43Å; G226-S230 PolarHBondContact O-N 3.13Å; G226-S230 PolarHBondContact O-OG 3.44Å |
| 227 | V | 82.2 | Confident | 72.7 | Confident | 67 Ų | 67 | 82.8 Ų | 82.8 | 41% | 0.406 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.4 | -45.9 | 176.2 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | V223 S224 Y225 N229 S230 I231 | V223-V227 HydrophobicContact CG1-CB 3.86Å; V223-V227 HydrophobicContact CG1-CG1 3.6Å; S224-V227 PolarHBondContact O-N 2.94Å; S224-V227 WeakPolarHBondContact OG-CG2 3.26Å; S224-V227 PolarHBondContact OG-N 2.79Å; Y225-V227 PolarHBondContact O-N 2.87Å; V227-N229 PolarHBondContact O-N 2.86Å; V227-S230 PolarHBondContact O-N 2.9Å; V227-I231 HydrophobicContact CG1-CD1 3.63Å; V227-I231 HydrophobicContact CG1-CG1 4.39Å; V227-I231 VanDerWaalsContact O-CG1 3.27Å; V227-I231 WeakPolarHBondContact O-CG1 3.39Å; V227-I231 PolarHBondContact O-N 3.45Å |
| 228 | R | 83.5 | Confident | 73.3 | Confident | 28 Ų | 28 | 79.7 Ų | 79.7 | 11% | 0.106 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -58.6 | -47.2 | 176.9 | -70.1 | -178.6 | -78.2 | 159.9 | -9.6 | 112.3 | Q211 N221 V223 S224 Y225 S230 I231 A232 | Q211-R228 WeakPolarHBondContact O-CD 3.38Å; N221-R228 VanDerWaalsContact ND2-CD 3.27Å; N221-R228 WeakPolarHBondContact ND2-CD 3.44Å; N221-R228 PolarHBondContact ND2-NH1 3.37Å; V223-R228 HydrophobicContact CB-CG 4.18Å; V223-R228 HydrophobicContact CG1-CG 3.93Å; V223-R228 PolarHBondContact O-NE 2.8Å; V223-R228 PolarHBondContact O-NH2 3.05Å; S224-R228 WeakPolarHBondContact O-CG 3.22Å; S224-R228 PolarHBondContact O-N 2.9Å; S224-R228 VanDerWaalsContact O-N 3.08Å; S224-R228 PolarHBondContact O-NE 2.91Å; Y225-R228 PolarHBondContact O-N 3.47Å; R228-S230 VanDerWaalsContact C-N 3.31Å; R228-S230 PolarHBondContact O-N 3.46Å; R228-I231 PolarHBondContact O-N 2.85Å; R228-A232 WeakPolarHBondContact O-CB 3.26Å; R228-A232 PolarHBondContact O-N 2.88Å |
| 229 | N | 80 | Confident | 73.5 | Confident | 75 Ų | 75 | 73.7 Ų | 73.7 | 40% | 0.401 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.4 | -38.2 | -179.8 | -165.2 | 44.2 | 0 | 0 | 0 | 111.8 | Y225 V227 A233 | Y225-N229 HydrophobicContact CE1-CB 4.4Å; Y225-N229 WeakPolarHBondContact O-CB 3.33Å; Y225-N229 PolarHBondContact O-N 3.06Å; V227-N229 PolarHBondContact O-N 2.86Å; N229-A233 VanDerWaalsContact O-CB 3.29Å; N229-A233 WeakPolarHBondContact O-CB 3.35Å; N229-A233 PolarHBondContact O-N 2.84Å |
| 230 | S | 81.8 | Confident | 73.4 | Confident | 79 Ų | 79 | 77.7 Ų | 77.7 | 55% | 0.552 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -67.2 | -41.8 | 176.6 | -55.6 | 0 | 0 | 0 | 0 | 112 | G226 V227 R228 Y234 | G226-S230 WeakPolarHBondContact O-CB 3.43Å; G226-S230 PolarHBondContact O-N 3.13Å; G226-S230 PolarHBondContact O-OG 3.44Å; V227-S230 PolarHBondContact O-N 2.9Å; R228-S230 VanDerWaalsContact C-N 3.31Å; R228-S230 PolarHBondContact O-N 3.46Å; S230-Y234 WeakPolarHBondContact O-CB 3.48Å; S230-Y234 PolarHBondContact O-N 3.4Å |
| 231 | I | 78.7 | Confident | 72.8 | Confident | 54 Ų | 54 | 77.5 Ų | 77.5 | 28% | 0.277 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -67.4 | -46.4 | 177.1 | -67.2 | 167.4 | 0 | 0 | 0 | 110.6 | L212 V227 R228 A233 Y234 L235 | L212-I231 HydrophobicContact CD2-CD1 4.18Å; V227-I231 HydrophobicContact CG1-CD1 3.63Å; V227-I231 HydrophobicContact CG1-CG1 4.39Å; V227-I231 VanDerWaalsContact O-CG1 3.27Å; V227-I231 WeakPolarHBondContact O-CG1 3.39Å; V227-I231 PolarHBondContact O-N 3.45Å; R228-I231 PolarHBondContact O-N 2.85Å; I231-A233 VanDerWaalsContact C-N 3.31Å; I231-A233 PolarHBondContact O-N 2.84Å; I231-Y234 PolarHBondContact O-N 3.36Å; I231-L235 HydrophobicContact CG2-CD1 3.82Å; I231-L235 HydrophobicContact CG2-CG 4.29Å; I231-L235 WeakPolarHBondContact O-CG 3.34Å; I231-L235 PolarHBondContact O-N 3.06Å |
| 232 | A | 76.6 | Confident | 71.8 | Confident | 14 Ų | 14 | 83.6 Ų | 83.6 | 12% | 0.116 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -59.5 | -42.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | R228 L235 S236 | R228-A232 WeakPolarHBondContact O-CB 3.26Å; R228-A232 PolarHBondContact O-N 2.88Å; A232-L235 PolarHBondContact O-N 3.41Å; A232-S236 WeakPolarHBondContact O-CB 3.48Å; A232-S236 PolarHBondContact O-N 2.83Å; A232-S236 PolarHBondContact O-OG 2.78Å |
| 233 | A | 79.6 | Confident | 70.3 | Confident | 41 Ų | 41 | 86.7 Ų | 86.7 | 34% | 0.339 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.7 | -48.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | N229 I231 L235 S236 F237 | N229-A233 VanDerWaalsContact O-CB 3.29Å; N229-A233 WeakPolarHBondContact O-CB 3.35Å; N229-A233 PolarHBondContact O-N 2.84Å; I231-A233 VanDerWaalsContact C-N 3.31Å; I231-A233 PolarHBondContact O-N 2.84Å; A233-L235 PolarHBondContact O-N 2.96Å; A233-S236 WeakPolarHBondContact O-CB 3.07Å; A233-S236 PolarHBondContact O-N 3Å; A233-S236 VanDerWaalsContact O-N 3.16Å; A233-F237 WeakPolarHBondContact O-CD2 3.25Å; A233-F237 PolarHBondContact O-N 3.42Å; A233-F237 VanDerWaalsContact O-N 3.13Å |
| 234 | Y | 80.5 | Confident | 69 | Low | 162 Ų | 162 | 95.3 Ų | 95.3 | 64% | 0.635 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.6 | -42.7 | 179.3 | -177.3 | -93.3 | 0 | 0 | 0 | 113.1 | S230 I231 S236 F237 S238 | S230-Y234 WeakPolarHBondContact O-CB 3.48Å; S230-Y234 PolarHBondContact O-N 3.4Å; I231-Y234 PolarHBondContact O-N 3.36Å; Y234-S236 VanDerWaalsContact C-N 3.28Å; Y234-S236 PolarHBondContact O-N 2.97Å; Y234-F237 PolarHBondContact O-N 2.95Å; Y234-F237 VanDerWaalsContact O-N 3.12Å; Y234-S238 WeakPolarHBondContact O-CB 3.38Å; Y234-S238 PolarHBondContact O-N 2.96Å; Y234-S238 PolarHBondContact O-OG 3.05Å |
| 235 | L | 77.1 | Confident | 67.5 | Low | 54 Ų | 54 | 100.7 Ų | 100.7 | 28% | 0.283 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.2 | -35.2 | 176 | -70.1 | 172.7 | 0 | 0 | 0 | 111.8 | V213 I231 A232 A233 F237 S238 G239 | V213-L235 HydrophobicContact CG2-CD1 3.8Å; I231-L235 HydrophobicContact CG2-CD1 3.82Å; I231-L235 HydrophobicContact CG2-CG 4.29Å; I231-L235 WeakPolarHBondContact O-CG 3.34Å; I231-L235 PolarHBondContact O-N 3.06Å; A232-L235 PolarHBondContact O-N 3.41Å; A233-L235 PolarHBondContact O-N 2.96Å; L235-F237 VanDerWaalsContact C-N 3.26Å; L235-F237 PolarHBondContact O-N 2.91Å; L235-S238 WeakPolarHBondContact CA-OG 2.99Å; L235-S238 PolarHBondContact O-N 2.83Å; L235-G239 PolarHBondContact O-N 3.32Å |
| 236 | S | 74.1 | Confident | 65.6 | Low | 102 Ų | 102 | 106.7 Ų | 106.7 | 71% | 0.713 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.6 | -29.1 | 173.6 | -56.3 | 0 | 0 | 0 | 0 | 112.8 | A232 A233 Y234 | A232-S236 WeakPolarHBondContact O-CB 3.48Å; A232-S236 PolarHBondContact O-N 2.83Å; A232-S236 PolarHBondContact O-OG 2.78Å; A233-S236 WeakPolarHBondContact O-CB 3.07Å; A233-S236 PolarHBondContact O-N 3Å; A233-S236 VanDerWaalsContact O-N 3.16Å; Y234-S236 VanDerWaalsContact C-N 3.28Å; Y234-S236 PolarHBondContact O-N 2.97Å |
| 237 | F | 69 | Low | 63.8 | Low | 185 Ų | 185 | 107.8 Ų | 107.8 | 81% | 0.811 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -89.4 | -28 | 176.6 | -71.6 | -66.4 | 0 | 0 | 0 | 114 | A233 Y234 L235 | A233-F237 WeakPolarHBondContact O-CD2 3.25Å; A233-F237 PolarHBondContact O-N 3.42Å; A233-F237 VanDerWaalsContact O-N 3.13Å; Y234-F237 PolarHBondContact O-N 2.95Å; Y234-F237 VanDerWaalsContact O-N 3.12Å; L235-F237 VanDerWaalsContact C-N 3.26Å; L235-F237 PolarHBondContact O-N 2.91Å |
| 238 | S | 70.6 | Confident | 62.1 | Low | 55 Ų | 55 | 112.5 Ų | 112.5 | 39% | 0.385 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -89.7 | -1.2 | -174.7 | 51.5 | 0 | 0 | 0 | 0 | 114.5 | Y234 L235 Q240 | Y234-S238 WeakPolarHBondContact O-CB 3.38Å; Y234-S238 PolarHBondContact O-N 2.96Å; Y234-S238 PolarHBondContact O-OG 3.05Å; L235-S238 WeakPolarHBondContact CA-OG 2.99Å; L235-S238 PolarHBondContact O-N 2.83Å; S238-Q240 PolarHBondContact O-N 3.49Å |
| 239 | G | 61 | Low | 60.3 | Low | 52 Ų | 52 | 123 Ų | 123 | 54% | 0.536 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 66.1 | 36.1 | 166 | 0 | 0 | 0 | 0 | 0 | 114.6 | L235 E241 | L235-G239 PolarHBondContact O-N 3.32Å; G239-E241 PolarHBondContact O-N 3.18Å; G239-E241 VanDerWaalsContact O-N 3.09Å |
| 240 | Q | 51.1 | Low | 58.7 | Low | 171 Ų | 171 | 130.9 Ų | 130.9 | 80% | 0.799 | 66% | 0.661 | S | S | * | * | trans | -78.7 | 79.9 | 154.6 | -88.6 | -159.5 | -56.4 | 0 | 0 | 108.4 | S238 | S238-Q240 PolarHBondContact O-N 3.49Š| ||
| 241 | E | 43.2 | Very low | 57.2 | Low | 164 Ų | 164 | 136.6 Ų | 136.6 | 77% | 0.766 | 68% | 0.676 | S | S | * | * | trans | -74.8 | 127.1 | 169.7 | -65.2 | -179.1 | 147.7 | 0 | 0 | 109.4 | G239 | G239-E241 PolarHBondContact O-N 3.18Å; G239-E241 VanDerWaalsContact O-N 3.09Å | ||
| 242 | D | 43.4 | Very low | 55.6 | Low | 147 Ų | 147 | 144.3 Ų | 144.3 | 79% | 0.786 | 71% | 0.708 | S | S | * | * | trans | -57.2 | 142.9 | 157.2 | -103.4 | -46.9 | 0 | 0 | 0 | 109.1 | Q244 | D242-Q244 PolarHBondContact O-N 2.9Š| ||
| 243 | P | 37.6 | Very low | 54 | Low | 129 Ų | 129 | 154 Ų | 154 | 84% | 0.838 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | 18 | -164.5 | -18.7 | 32.4 | 0 | 0 | 0 | 117.2 | ||
| 244 | Q | 42.9 | Very low | 52.1 | Low | 183 Ų | 183 | 157.6 Ų | 157.6 | 86% | 0.855 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.6 | 8.8 | -162.2 | -134.9 | 170.7 | -33.1 | 0 | 0 | 118 | D242 | D242-Q244 PolarHBondContact O-N 2.9Š|
| 245 | Q | 44.8 | Very low | 50.2 | Low | 183 Ų | 183 | 160.8 Ų | 160.8 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | trans | -131.9 | 60.1 | 170 | -76.8 | -174.5 | 4.1 | 0 | 0 | 112.6 | G247 | Q245-G247 VanDerWaalsContact C-N 3.28Å; Q245-G247 PolarHBondContact O-N 3.28Å | ||
| 246 | R | 40.3 | Very low | 48.3 | Very low | 256 Ų | 256 | 162.8 Ų | 162.8 | 97% | 0.966 | 80% | 0.799 | S | S | * | * | trans | -79 | 79.4 | 164.5 | -163.3 | -179.4 | -170.4 | -170.6 | 3.5 | 109.3 | ||||
| 247 | G | 40.8 | Very low | 46.4 | Very low | 62 Ų | 62 | 162.9 Ų | 162.9 | 64% | 0.639 | 80% | 0.795 | S | S | * | * | trans | -163.3 | 107.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q245 | Q245-G247 VanDerWaalsContact C-N 3.28Å; Q245-G247 PolarHBondContact O-N 3.28Å | ||
| 248 | D | 46.8 | Very low | 44.7 | Very low | 166 Ų | 166 | 164.4 Ų | 164.4 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | S | Bend | trans | 92.7 | 29.5 | 147.7 | -107.3 | -14.3 | 0 | 0 | 0 | 122.4 | ||
| 249 | R | 47 | Very low | 43 | Very low | 250 Ų | 250 | 167.8 Ų | 167.8 | 94% | 0.943 | 82% | 0.815 | S | S | * | * | trans | -132.9 | 58.8 | 166.2 | -67.5 | -170.7 | 170.7 | -178.2 | -1.9 | 114.5 | ||||
| 250 | R | 45.7 | Very low | 41.9 | Very low | 239 Ų | 239 | 172 Ų | 172 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | trans | -90.8 | 120.3 | 160.1 | -96.1 | -179.6 | 172.8 | 171 | -2.5 | 110.3 | ||||
| 251 | K | 50.7 | Low | 41.2 | Very low | 200 Ų | 200 | 169.6 Ų | 169.6 | 87% | 0.87 | 82% | 0.823 | S | S | * | * | trans | 106.9 | 92.8 | 158 | -58.9 | 175.9 | -177.8 | 179.4 | 0 | 115.6 | ||||
| 252 | K | 44.2 | Very low | 40.7 | Very low | 215 Ų | 215 | 170.6 Ų | 170.6 | 94% | 0.935 | 83% | 0.828 | S | S | * | * | -155 | 98.8 | 128.6 | -105.4 | 164.8 | -176.1 | -179.6 | 0 | 108.4 | S254 | K252-S254 PolarHBondContact O-N 3.34Š| |||
| 253 | K | 44.1 | Very low | 40.5 | Very low | 219 Ų | 219 | 169.1 Ų | 169.1 | 95% | 0.952 | 83% | 0.829 | S | S | * | * | trans | -69 | 110.6 | 168.1 | -83.1 | 178 | 170.7 | -179.3 | 0 | 107.3 | ||||
| 254 | S | 39.7 | Very low | 40.3 | Very low | 116 Ų | 116 | 170.7 Ų | 170.7 | 81% | 0.811 | 83% | 0.831 | S | S | * | * | trans | -98.8 | 116.5 | 163 | 172.5 | 0 | 0 | 0 | 0 | 107.2 | K252 | K252-S254 PolarHBondContact O-N 3.34Š| ||
| 255 | R | 40 | Very low | 40.1 | Very low | 228 Ų | 228 | 169.4 Ų | 169.4 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | trans | -99.4 | 105.3 | 178.5 | 177.1 | 179.4 | 159.9 | 174.8 | -5 | 106.1 | ||||
| 256 | S | 38.1 | Very low | 39.7 | Very low | 97 Ų | 97 | 165.2 Ų | 165.2 | 68% | 0.678 | 83% | 0.826 | S | S | * | * | trans | -94.6 | 115.4 | 172.2 | 65 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 257 | V | 33.8 | Very low | 39.5 | Very low | 103 Ų | 103 | 160.2 Ų | 160.2 | 62% | 0.624 | 82% | 0.819 | S | S | * | * | trans | -91.5 | 118.7 | 168.3 | 176.4 | 0 | 0 | 0 | 0 | 106.8 | V259 | V257-V259 HydrophobicContact CG1-CG2 3.99Š| ||
| 258 | Y | 32.9 | Very low | 39.3 | Very low | 217 Ų | 217 | 163.6 Ų | 163.6 | 85% | 0.851 | 83% | 0.827 | S | S | * | * | trans | -82.5 | 124.6 | 163.2 | -84.4 | -88.7 | 0 | 0 | 0 | 108 | ||||
| 259 | V | 35.4 | Very low | 38.8 | Very low | 126 Ų | 126 | 163 Ų | 163 | 76% | 0.764 | 82% | 0.819 | S | S | * | * | trans | -106.5 | 121.9 | 169.1 | 176.7 | 0 | 0 | 0 | 0 | 107.1 | V257 | V257-V259 HydrophobicContact CG1-CG2 3.99Š| ||
| 260 | I | 37 | Very low | 38.3 | Very low | 141 Ų | 141 | 159.8 Ų | 159.8 | 72% | 0.723 | 81% | 0.808 | S | S | * | * | trans | -93.5 | 130.9 | 171 | -59.5 | 175.7 | 0 | 0 | 0 | 106.7 | ||||
| 261 | P | 35.8 | Very low | 38.2 | Very low | 121 Ų | 121 | 155 Ų | 155 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | trans | -86.3 | 112.6 | 171.5 | 30.7 | -23.9 | 0 | 0 | 0 | 109.3 | ||||
| 262 | E | 34.7 | Very low | 37.8 | Very low | 184 Ų | 184 | 151.2 Ų | 151.2 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | -88.4 | 119.8 | 165.8 | -80.9 | -175.9 | 157.3 | 0 | 0 | 109.9 | ||||
| 263 | S | 38.9 | Very low | 37.9 | Very low | 117 Ų | 117 | 146.7 Ų | 146.7 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -61.2 | 127.1 | 161.3 | 46 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 264 | N | 33.5 | Very low | 38 | Very low | 161 Ų | 161 | 148.8 Ų | 148.8 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | trans | -137.5 | 126.9 | 162 | -146.8 | 13.7 | 0 | 0 | 0 | 112.1 | ||||
| 265 | N | 37 | Very low | 37.9 | Very low | 157 Ų | 157 | 150.4 Ų | 150.4 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | trans | -99.9 | 121.2 | 177.4 | -150.6 | 24.7 | 0 | 0 | 0 | 106.2 | ||||
| 266 | A | 37.7 | Very low | 37.8 | Very low | 95 Ų | 95 | 146.3 Ų | 146.3 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -167.9 | 119.1 | 158.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 267 | N | 35.4 | Very low | 37.7 | Very low | 151 Ų | 151 | 149.1 Ų | 149.1 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | trans | -60.5 | 147.2 | 166.6 | -70.5 | -27.3 | 0 | 0 | 0 | 112.7 | ||||
| 268 | T | 37.8 | Very low | 38 | Very low | 132 Ų | 132 | 151.8 Ų | 151.8 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | 178 | 111.3 | 123.8 | 11.9 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 269 | E | 36.1 | Very low | 38.3 | Very low | 154 Ų | 154 | 147.7 Ų | 147.7 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | 81.5 | 133.5 | 69.9 | -132 | -178.1 | -156.6 | 0 | 0 | 114.6 | |||||
| 270 | Y | 36.6 | Very low | 38.5 | Very low | 182 Ų | 182 | 149.1 Ų | 149.1 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | trans | 76.1 | 135.1 | 169.4 | -69.5 | -97.9 | 0 | 0 | 0 | 118.3 | ||||
| 271 | E | 42.1 | Very low | 38.6 | Very low | 140 Ų | 140 | 149.7 Ų | 149.7 | 65% | 0.654 | 79% | 0.792 | S | S | * | * | cis | -163.5 | 161.7 | -1.1 | -82.1 | -125.6 | 115.7 | 0 | 0 | 111 | ||||
| 272 | D | 43.9 | Very low | 38.8 | Very low | 120 Ų | 120 | 151.9 Ų | 151.9 | 64% | 0.642 | 79% | 0.792 | S | S | * | * | trans | 51.9 | 147.3 | 139.3 | -74 | -36.5 | 0 | 0 | 0 | 121.3 | ||||
| 273 | D | 45.3 | Very low | 39.1 | Very low | 119 Ų | 119 | 149.3 Ų | 149.3 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | cis | -168.5 | 154.3 | 37.2 | -133.6 | -26.9 | 0 | 0 | 0 | 111.4 | ||||
| 274 | F | 45.5 | Very low | 39.2 | Very low | 263 Ų | 263 | 152.2 Ų | 152.2 | 100% | 1.154 | 78% | 0.784 | S | S | * | * | trans | 66.3 | 0 | 166.1 | -69.6 | -83.4 | 0 | 0 | 0 | 122.5 |
Retrieved 274 of 274 residues in 41.1 ms
(Link to these results)