| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.5 | Very low | 44.7 | Very low | 232 Ų | 232 | 146.1 Ų | 146.1 | 100% | 1.143 | 79% | 0.786 | S | S | * | * | 0 | 122.9 | 0 | -67.7 | 98.2 | 175.5 | 0 | 0 | 107.3 | |||||
| 2 | D | 34.5 | Very low | 46 | Very low | 150 Ų | 150 | 140.5 Ų | 140.5 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | trans | -59.8 | 136.8 | -156.4 | -58.9 | -86.3 | 0 | 0 | 0 | 113.7 | L4 | D2-L4 PolarHBondContact O-N 3.29Š| ||
| 3 | R | 42.8 | Very low | 48.3 | Very low | 250 Ų | 250 | 138.2 Ų | 138.2 | 94% | 0.943 | 75% | 0.753 | S | S | * | * | trans | -64.7 | 87.6 | 166.3 | -76.4 | -179.8 | 147.5 | -172.4 | -7.5 | 107.6 | G5 | R3-G5 PolarHBondContact O-N 2.68Š| ||
| 4 | L | 46.7 | Very low | 50.8 | Low | 155 Ų | 155 | 135.8 Ų | 135.8 | 81% | 0.812 | 73% | 0.732 | S | S | * | * | trans | -52.4 | 123.1 | 164.5 | -73.2 | 162.3 | 0 | 0 | 0 | 106.9 | D2 | D2-L4 PolarHBondContact O-N 3.29Š| ||
| 5 | G | 39.4 | Very low | 53.6 | Low | 54 Ų | 54 | 128.8 Ų | 128.8 | 56% | 0.557 | 70% | 0.697 | S | S | * | * | trans | -53.1 | 152 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112 | R3 F7 | R3-G5 PolarHBondContact O-N 2.68Å; G5-F7 VanDerWaalsContact C-N 3.32Å; G5-F7 PolarHBondContact O-N 2.98Å | ||
| 6 | S | 42.6 | Very low | 56.2 | Low | 113 Ų | 113 | 124.9 Ų | 124.9 | 79% | 0.79 | 68% | 0.68 | S | S | * | * | trans | -52.7 | 98.5 | 169.7 | -65.7 | 0 | 0 | 0 | 0 | 109.3 | S8 | S6-S8 WeakPolarHBondContact CB-OG 3.11Å; S6-S8 PolarHBondContact O-N 2.84Å | ||
| 7 | F | 39.1 | Very low | 58.6 | Low | 191 Ų | 191 | 117.7 Ų | 117.7 | 84% | 0.838 | 64% | 0.641 | S | S | * | * | trans | -68.2 | 75.4 | 153.6 | -72.5 | -81.2 | 0 | 0 | 0 | 105.9 | G5 N9 | G5-F7 VanDerWaalsContact C-N 3.32Å; G5-F7 PolarHBondContact O-N 2.98Å; F7-N9 PolarHBondContact O-N 2.77Å | ||
| 8 | S | 47.7 | Very low | 60.8 | Low | 86 Ų | 86 | 117.6 Ų | 117.6 | 60% | 0.601 | 63% | 0.63 | S | S | * | * | trans | -73 | 77.7 | 170.9 | -62.2 | 0 | 0 | 0 | 0 | 107.6 | S6 | S6-S8 WeakPolarHBondContact CB-OG 3.11Å; S6-S8 PolarHBondContact O-N 2.84Å | ||
| 9 | N | 48.3 | Very low | 62.7 | Low | 151 Ų | 151 | 112.7 Ų | 112.7 | 81% | 0.807 | 61% | 0.61 | S | S | * | * | trans | -168.2 | 57.6 | 165.6 | -82 | -31.1 | 0 | 0 | 0 | 106.8 | F7 P11 | F7-N9 PolarHBondContact O-N 2.77Å; N9-P11 WeakPolarHBondContact O-CD 3.38Å | ||
| 10 | D | 57.1 | Low | 64.4 | Low | 92 Ų | 92 | 110.2 Ų | 110.2 | 49% | 0.492 | 60% | 0.6 | S | S | . | * | trans | -61.2 | 125.9 | 159.8 | -170 | -36.5 | 0 | 0 | 0 | 106.3 | S12 D13 | D10-S12 PolarHBondContact O-N 3.43Å; D10-S12 WeakPolarHBondContact OD1-CB 3.4Å; D10-S12 PolarHBondContact OD1-N 3.34Å; D10-D13 HydrophobicContact CB-CB 4.33Å; D10-D13 WeakPolarHBondContact O-CB 3.32Å; D10-D13 PolarHBondContact O-N 3.45Å | ||
| 11 | P | 56.5 | Low | 66 | Low | 133 Ų | 133 | 109.6 Ų | 109.6 | 86% | 0.864 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.4 | -23 | 173.3 | -25.4 | 34.3 | 0 | 0 | 0 | 113.3 | N9 | N9-P11 WeakPolarHBondContact O-CD 3.38Š|
| 12 | S | 59.5 | Low | 68.8 | Low | 79 Ų | 79 | 101.2 Ų | 101.2 | 55% | 0.552 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -14.5 | 177.5 | -151.9 | 0 | 0 | 0 | 0 | 114.5 | D10 K14 | D10-S12 PolarHBondContact O-N 3.43Å; D10-S12 WeakPolarHBondContact OD1-CB 3.4Å; D10-S12 PolarHBondContact OD1-N 3.34Å; S12-K14 PolarHBondContact O-N 3.09Å |
| 13 | D | 75.8 | Confident | 71.7 | Confident | 111 Ų | 111 | 102.6 Ų | 102.6 | 59% | 0.594 | 56% | 0.564 | S | S | * | * | trans | -70.9 | 95 | -179.1 | -88.1 | -27 | 0 | 0 | 0 | 110.9 | D10 P15 | D10-D13 HydrophobicContact CB-CB 4.33Å; D10-D13 WeakPolarHBondContact O-CB 3.32Å; D10-D13 PolarHBondContact O-N 3.45Å; D13-P15 WeakPolarHBondContact O-CD 3.33Å | ||
| 14 | K | 84.2 | Confident | 74.2 | Confident | 104 Ų | 104 | 90.8 Ų | 90.8 | 45% | 0.452 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 119.2 | 175.9 | -72.3 | 167.8 | -177.2 | 171.4 | 0 | 110.1 | S12 Y23 L24 M25 | S12-K14 PolarHBondContact O-N 3.09Å; K14-Y23 VanDerWaalsContact O-CD1 3.27Å; K14-Y23 WeakPolarHBondContact O-CD1 3.36Å; K14-L24 WeakPolarHBondContact CB-O 3.44Å; K14-L24 WeakPolarHBondContact CD-O 3.41Å; K14-L24 WeakPolarHBondContact CG-O 3.48Å; K14-M25 HydrophobicContact CD-SD 3.72Å; K14-M25 VanDerWaalsContact CE-SD 3.59Å; K14-M25 PolarHBondContact NZ-SD 2.97Å |
| 15 | P | 91.7 | Very high | 76.4 | Confident | 31 Ų | 31 | 89.3 Ų | 89.3 | 20% | 0.201 | 51% | 0.51 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 153.3 | 179.5 | 24 | -29.3 | 0 | 0 | 0 | 111.4 | D13 L24 Y28 F40 | D13-P15 WeakPolarHBondContact O-CD 3.33Å; P15-L24 HydrophobicContact CB-CD1 4.47Å; P15-L24 HydrophobicContact CG-CD1 4.09Å; P15-L24 VanDerWaalsContact O-CB 3.25Å; P15-L24 WeakPolarHBondContact O-CB 3.17Å; P15-L24 WeakPolarHBondContact O-CD1 3.26Å; P15-L24 WeakPolarHBondContact O-CG 3.47Å; P15-L24 PolarHBondContact O-N 2.75Å; P15-Y28 HydrophobicContact CG-CE2 4.38Å; P15-F40 HydrophobicContact CB-CD2 3.78Å; P15-F40 HydrophobicContact CB-CE2 3.97Å; P15-F40 HydrophobicContact CG-CD2 3.98Å; P15-F40 HydrophobicContact CG-CE2 4.08Å; P15-F40 HydrophobicContact CG-CG 4.49Å |
| 16 | P | 95.8 | Very high | 79 | Confident | 66 Ų | 66 | 90.7 Ų | 90.7 | 43% | 0.429 | 50% | 0.502 | S | S | . | . | B | Isolated β-bridge | trans | -78.9 | 144.3 | 175.5 | 31 | -34.1 | 0 | 0 | 0 | 112.1 | R18 | P16-R18 PolarHBondContact O-N 3.18Å |
| 17 | C | 97.6 | Very high | 81.6 | Confident | 3 Ų | 3 | 88.1 Ų | 88.1 | 2% | 0.02 | 48% | 0.483 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 130.4 | 169.9 | 179.1 | 0 | 0 | 0 | 0 | 110.7 | G19 C20 S21 S22 L24 C42 | C17-G19 PolarHBondContact O-N 3.22Å; C17-G19 PolarHBondContact SG-N 2.83Å; C17-G19 VanDerWaalsContact SG-N 3.35Å; C17-C20 PolarHBondContact SG-SG 2.86Å; C17-S21 VanDerWaalsContact O-CA 3.22Å; C17-S21 WeakPolarHBondContact O-CA 3.47Å; C17-S21 PolarHBondContact O-N 3.28Å; C17-S22 WeakPolarHBondContact CB-O 3.45Å; C17-S22 PolarHBondContact N-O 3.43Å; C17-L24 HydrophobicContact CB-CD2 3.74Å; C17-L24 HydrophobicContact CB-CG 4.28Å; C17-C42 HydrophobicContact CB-CB 4.35Å; C17-C42 PolarHBondContact SG-N 3.1Å |
| 18 | R | 97.1 | Very high | 84.4 | Confident | 115 Ų | 115 | 80.4 Ų | 80.4 | 43% | 0.434 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -16.6 | 177.8 | -60.2 | -67.2 | -88.5 | -159.8 | -9.8 | 113.7 | P16 F39 F40 L41 | P16-R18 PolarHBondContact O-N 3.18Å; R18-F39 HydrophobicContact CB-CD1 4.23Å; R18-F39 HydrophobicContact CB-CD2 4.22Å; R18-F39 HydrophobicContact CB-CE1 3.83Å; R18-F39 HydrophobicContact CB-CE2 3.82Å; R18-F39 HydrophobicContact CB-CG 4.41Å; R18-F39 HydrophobicContact CB-CZ 3.62Å; R18-F39 HydrophobicContact CG-CD1 4.18Å; R18-F39 HydrophobicContact CG-CD2 3.97Å; R18-F39 HydrophobicContact CG-CE1 4.29Å; R18-F39 HydrophobicContact CG-CE2 4.09Å; R18-F39 HydrophobicContact CG-CG 4.02Å; R18-F39 HydrophobicContact CG-CZ 4.25Å; R18-F40 WeakPolarHBondContact CB-O 3.23Å; R18-F40 WeakPolarHBondContact CG-O 3.49Å; R18-F40 PolarHBondContact N-O 2.76Å; R18-L41 HydrophobicContact CB-CD2 4.25Å |
| 19 | G | 97.3 | Very high | 86.8 | Confident | 25 Ų | 25 | 76.7 Ų | 76.7 | 26% | 0.258 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -42.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | C17 F50 | C17-G19 PolarHBondContact O-N 3.22Å; C17-G19 PolarHBondContact SG-N 2.83Å; C17-G19 VanDerWaalsContact SG-N 3.35Å; G19-F50 VanDerWaalsContact CA-CZ 3.48Å |
| 20 | C | 97.6 | Very high | 89.2 | Confident | 62 Ų | 62 | 72.5 Ų | 72.5 | 42% | 0.419 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.6 | 0.6 | -174.4 | 61.5 | 0 | 0 | 0 | 0 | 114.6 | C17 S22 C42 | C17-C20 PolarHBondContact SG-SG 2.86Å; C20-S22 PolarHBondContact O-N 3.47Å; C20-S22 PolarHBondContact SG-OG 3.26Å; C20-C42 VanDerWaalsContact SG-SG 3.7Å |
| 21 | S | 96.6 | Very high | 91.2 | Very high | 99 Ų | 99 | 68.4 Ų | 68.4 | 69% | 0.692 | 38% | 0.375 | S | S | * | . | trans | 62.1 | 3.1 | 179.9 | -52.3 | 0 | 0 | 0 | 0 | 116 | C17 | C17-S21 VanDerWaalsContact O-CA 3.22Å; C17-S21 WeakPolarHBondContact O-CA 3.47Å; C17-S21 PolarHBondContact O-N 3.28Å | ||
| 22 | S | 96.3 | Very high | 93.2 | Very high | 56 Ų | 56 | 64.6 Ų | 64.6 | 39% | 0.392 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 147.4 | 172.2 | 65.5 | 0 | 0 | 0 | 0 | 110.7 | C17 C20 | C17-S22 WeakPolarHBondContact CB-O 3.45Å; C17-S22 PolarHBondContact N-O 3.43Å; C20-S22 PolarHBondContact O-N 3.47Å; C20-S22 PolarHBondContact SG-OG 3.26Å |
| 23 | Y | 95.6 | Very high | 95 | Very high | 178 Ų | 178 | 65.9 Ų | 65.9 | 70% | 0.698 | 35% | 0.352 | S | S | * | . | B | Isolated β-bridge | trans | -61.8 | 138.1 | 170.3 | -66.9 | -69.3 | 0 | 0 | 0 | 110.9 | K14 | K14-Y23 VanDerWaalsContact O-CD1 3.27Å; K14-Y23 WeakPolarHBondContact O-CD1 3.36Å |
| 24 | L | 95.9 | Very high | 96 | Very high | 3 Ų | 3 | 61.5 Ų | 61.5 | 2% | 0.016 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -80 | 140.3 | -176.5 | -68 | 168.5 | 0 | 0 | 0 | 111.2 | K14 P15 C17 Y28 F40 C42 | K14-L24 WeakPolarHBondContact CB-O 3.44Å; K14-L24 WeakPolarHBondContact CD-O 3.41Å; K14-L24 WeakPolarHBondContact CG-O 3.48Å; P15-L24 HydrophobicContact CB-CD1 4.47Å; P15-L24 HydrophobicContact CG-CD1 4.09Å; P15-L24 VanDerWaalsContact O-CB 3.25Å; P15-L24 WeakPolarHBondContact O-CB 3.17Å; P15-L24 WeakPolarHBondContact O-CD1 3.26Å; P15-L24 WeakPolarHBondContact O-CG 3.47Å; P15-L24 PolarHBondContact O-N 2.75Å; C17-L24 HydrophobicContact CB-CD2 3.74Å; C17-L24 HydrophobicContact CB-CG 4.28Å; L24-Y28 HydrophobicContact CB-CD1 4.04Å; L24-Y28 HydrophobicContact CB-CD2 4.5Å; L24-Y28 HydrophobicContact CB-CG 4.02Å; L24-Y28 HydrophobicContact CD1-CD2 3.76Å; L24-Y28 HydrophobicContact CD1-CE2 4.21Å; L24-Y28 HydrophobicContact CD1-CG 4.05Å; L24-Y28 HydrophobicContact CD2-CG 4.46Å; L24-Y28 HydrophobicContact CG-CG 4.4Å; L24-F40 HydrophobicContact CD1-CB 3.33Å; L24-F40 HydrophobicContact CD1-CG 4.16Å; L24-C42 HydrophobicContact CD2-CB 3.66Å; L24-C42 VanDerWaalsContact CD2-N 3.32Å |
| 25 | M | 92.8 | Very high | 96.4 | Very high | 123 Ų | 123 | 59.2 Ų | 59.2 | 61% | 0.606 | 34% | 0.336 | S | S | * | . | trans | -115.1 | 143.5 | 167.3 | -65.2 | -64.6 | -62.9 | 0 | 0 | 106.8 | K14 P27 | K14-M25 HydrophobicContact CD-SD 3.72Å; K14-M25 VanDerWaalsContact CE-SD 3.59Å; K14-M25 PolarHBondContact NZ-SD 2.97Å; M25-P27 CarbonylContact O-C 3.54Å | ||
| 26 | E | 94.9 | Very high | 96.4 | Very high | 83 Ų | 83 | 64.1 Ų | 64.1 | 39% | 0.388 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -66.1 | 146.6 | 172.7 | -66.8 | -171.6 | 170.4 | 0 | 0 | 111.3 | Y28 T65 S66 | E26-Y28 HydrophobicContact CG-CD1 3.99Å; E26-Y28 HydrophobicContact CG-CE1 3.81Å; E26-T65 WeakPolarHBondContact OE2-CA 3.5Å; E26-S66 PolarHBondContact OE1-OG 3.05Å; E26-S66 VanDerWaalsContact OE2-CB 3.25Å; E26-S66 WeakPolarHBondContact OE2-CB 3.27Å; E26-S66 PolarHBondContact OE2-N 3.02Å; E26-S66 PolarHBondContact OE2-OG 3.17Å |
| 27 | P | 97 | Very high | 96.2 | Very high | 60 Ų | 60 | 64.6 Ų | 64.6 | 39% | 0.39 | 37% | 0.37 | S | S | . | . | S | Bend | cis | -77.9 | 145.3 | -8.3 | 30.7 | -31.2 | 0 | 0 | 0 | 112 | M25 L43 I63 M64 | M25-P27 CarbonylContact O-C 3.54Å; P27-L43 HydrophobicContact CG-CD1 4.22Å; P27-L43 WeakPolarHBondContact O-CG 3.31Å; P27-I63 HydrophobicContact CB-CG2 3.96Å; P27-M64 VanDerWaalsContact CA-O 3.26Å; P27-M64 WeakPolarHBondContact CA-O 3.39Å |
| 28 | Y | 97.8 | Very high | 96.1 | Very high | 28 Ų | 28 | 67.7 Ų | 67.7 | 11% | 0.11 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 168.1 | 172.8 | 63.4 | -89.7 | 0 | 0 | 0 | 111.5 | P15 L24 E26 F40 M64 | P15-Y28 HydrophobicContact CG-CE2 4.38Å; L24-Y28 HydrophobicContact CB-CD1 4.04Å; L24-Y28 HydrophobicContact CB-CD2 4.5Å; L24-Y28 HydrophobicContact CB-CG 4.02Å; L24-Y28 HydrophobicContact CD1-CD2 3.76Å; L24-Y28 HydrophobicContact CD1-CE2 4.21Å; L24-Y28 HydrophobicContact CD1-CG 4.05Å; L24-Y28 HydrophobicContact CD2-CG 4.46Å; L24-Y28 HydrophobicContact CG-CG 4.4Å; E26-Y28 HydrophobicContact CG-CD1 3.99Å; E26-Y28 HydrophobicContact CG-CE1 3.81Å; Y28-F40 HydrophobicContact CD2-CB 4.36Å; Y28-F40 HydrophobicContact CD2-CD1 4.07Å; Y28-F40 HydrophobicContact CD2-CG 4.49Å; Y28-F40 AromaticContact CE2-CD1 3.64Å; Y28-F40 HydrophobicContact CE2-CD1 3.64Å; Y28-F40 AromaticContact CE2-CE1 3.99Å; Y28-F40 HydrophobicContact CE2-CE1 3.99Å; Y28-F40 HydrophobicContact CE2-CG 4.2Å; Y28-M64 HydrophobicContact CD1-CB 4.04Å; Y28-M64 HydrophobicContact CD2-CB 3.82Å; Y28-M64 HydrophobicContact CD2-CG 3.86Å; Y28-M64 HydrophobicContact CE1-CB 3.7Å; Y28-M64 HydrophobicContact CE2-CB 3.5Å; Y28-M64 VanDerWaalsContact CE2-CB 3.5Å; Y28-M64 HydrophobicContact CE2-CG 3.41Å; Y28-M64 VanDerWaalsContact CE2-CG 3.41Å; Y28-M64 HydrophobicContact CG-CB 4.08Å; Y28-M64 VanDerWaalsContact CZ-CB 3.41Å; Y28-M64 PolarHBondContact N-O 2.92Å; Y28-M64 VanDerWaalsContact N-O 3.15Å; Y28-M64 PolarHBondContact O-N 2.97Å |
| 29 | I | 98.3 | Very high | 96.1 | Very high | 9 Ų | 9 | 62.8 Ų | 62.8 | 5% | 0.046 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 131.9 | -174.8 | -55 | -56.9 | 0 | 0 | 0 | 109.9 | F40 L41 L43 F46 Y61 I63 | I29-F40 CarbonylContact O-C 3.57Å; I29-F40 VanDerWaalsContact O-CA 3.23Å; I29-F40 WeakPolarHBondContact O-CA 3.21Å; I29-L41 HydrophobicContact CB-CB 4.47Å; I29-L41 PolarHBondContact N-O 3.16Å; I29-L41 PolarHBondContact O-N 2.91Å; I29-L43 HydrophobicContact CD1-CD2 4.14Å; I29-L43 HydrophobicContact CG1-CD2 4.18Å; I29-F46 HydrophobicContact CB-CD2 4.22Å; I29-F46 HydrophobicContact CB-CG 4.39Å; I29-F46 HydrophobicContact CD1-CD1 4.45Å; I29-F46 HydrophobicContact CG1-CB 3.93Å; I29-F46 HydrophobicContact CG1-CD1 4.01Å; I29-F46 HydrophobicContact CG1-CD2 3.95Å; I29-F46 HydrophobicContact CG1-CE2 4.47Å; I29-F46 HydrophobicContact CG1-CG 3.69Å; I29-F46 HydrophobicContact CG2-CD2 3.84Å; I29-F46 HydrophobicContact CG2-CE2 4.01Å; I29-F46 HydrophobicContact CG2-CG 4.46Å; I29-Y61 HydrophobicContact CD1-CD2 4.08Å; I29-Y61 HydrophobicContact CD1-CE2 4.26Å; I29-Y61 HydrophobicContact CG2-CD2 3.96Å; I29-Y61 HydrophobicContact CG2-CG 4.01Å; I29-I63 HydrophobicContact CD1-CG1 4.04Å |
| 30 | K | 98.2 | Very high | 96.1 | Very high | 62 Ų | 62 | 63.3 Ų | 63.3 | 27% | 0.27 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 122.6 | 165.3 | 176.6 | -175 | 162 | -149.6 | 0 | 108.5 | A32 F40 Y61 E62 M64 | K30-A32 PolarHBondContact O-N 3.42Å; K30-F40 HydrophobicContact CB-CD1 3.72Å; K30-F40 HydrophobicContact CB-CE1 3.73Å; K30-F40 HydrophobicContact CD-CE1 3.85Å; K30-F40 HydrophobicContact CG-CD1 3.94Å; K30-F40 HydrophobicContact CG-CE1 3.59Å; K30-Y61 CarbonylContact O-C 3.47Å; K30-Y61 WeakPolarHBondContact O-CA 3.37Å; K30-E62 HydrophobicContact CB-CB 4.37Å; K30-E62 WeakPolarHBondContact CD-OE2 3.31Å; K30-E62 WeakPolarHBondContact CE-OE2 3.49Å; K30-E62 PolarHBondContact N-O 3.12Å; K30-E62 IonicContact NZ-OE1 3.97Å; K30-E62 IonicContact NZ-OE2 2.75Å; K30-E62 PolarHBondContact NZ-OE2 3.49Å; K30-E62 PolarHBondContact O-N 3.16Å; K30-M64 HydrophobicContact CB-CG 3.8Å; K30-M64 HydrophobicContact CB-SD 3.9Å; K30-M64 HydrophobicContact CD-SD 3.9Å |
| 31 | C | 98.4 | Very high | 96.1 | Very high | 7 Ų | 7 | 60.6 Ų | 60.6 | 5% | 0.047 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 128 | 171.9 | -177.6 | 0 | 0 | 0 | 0 | 109.5 | E33 C34 F39 H59 | C31-E33 VanDerWaalsContact C-N 3.31Å; C31-C34 HydrophobicContact CB-CB 4Å; C31-C34 PolarHBondContact SG-SG 3.25Å; C31-F39 HydrophobicContact CB-CB 4.06Å; C31-F39 HydrophobicContact CB-CD1 4.37Å; C31-F39 PolarHBondContact N-O 3.42Å; C31-H59 PolarHBondContact SG-ND1 2.54Å |
| 32 | A | 98.2 | Very high | 96.2 | Very high | 52 Ų | 52 | 56.8 Ų | 56.8 | 43% | 0.43 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -79.4 | -16.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | K30 T60 | K30-A32 PolarHBondContact O-N 3.42Å; A32-T60 WeakPolarHBondContact CB-O 3.22Å; A32-T60 PolarHBondContact N-O 2.83Å |
| 33 | E | 98.3 | Very high | 96.3 | Very high | 106 Ų | 106 | 58 Ų | 58 | 50% | 0.495 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -104.2 | -18.4 | -174.3 | -61.8 | -179.6 | -138.4 | 0 | 0 | 113.5 | C31 H59 T60 | C31-E33 VanDerWaalsContact C-N 3.31Å; E33-H59 HydrophobicContact CB-CB 4.34Å; E33-H59 HydrophobicContact CG-CB 4.38Å; E33-H59 WeakPolarHBondContact OE1-CA 3.46Å; E33-H59 IonicContact OE2-CD2 3.62Å; E33-H59 IonicContact OE2-CG 3.82Å; E33-H59 IonicContact OE2-NE2 3.92Å; E33-T60 WeakPolarHBondContact CG-OG1 3.44Å; E33-T60 PolarHBondContact OE1-N 2.76Å; E33-T60 PolarHBondContact OE1-OG1 3.15Å |
| 34 | C | 97.3 | Very high | 96.4 | Very high | 20 Ų | 20 | 56.6 Ų | 56.6 | 14% | 0.135 | 32% | 0.323 | C | S | . | . | trans | -98.4 | 123.7 | -174.9 | -72.8 | 0 | 0 | 0 | 0 | 112.8 | C31 F39 H59 | C31-C34 HydrophobicContact CB-CB 4Å; C31-C34 PolarHBondContact SG-SG 3.25Å; C34-F39 HydrophobicContact CB-CB 3.51Å; C34-F39 HydrophobicContact CB-CG 4.17Å; C34-H59 PolarHBondContact SG-ND1 2.79Å; C34-H59 VanDerWaalsContact SG-ND1 3.43Å | ||
| 35 | G | 91.6 | Very high | 96.6 | Very high | 56 Ų | 56 | 57.2 Ų | 57.2 | 58% | 0.577 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 164.8 | 174.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | P37 | G35-P37 WeakPolarHBondContact CA-O 3.5Š|
| 36 | P | 92.3 | Very high | 96.8 | Very high | 133 Ų | 133 | 54 Ų | 54 | 86% | 0.864 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -83 | 151.5 | -15.5 | 31.7 | -32.4 | 0 | 0 | 0 | 113.5 | ||
| 37 | P | 91.4 | Very high | 97 | Very high | 76 Ų | 76 | 55.4 Ų | 55.4 | 49% | 0.494 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -77 | 161.6 | -1.6 | 33.7 | -36.5 | 0 | 0 | 0 | 112.7 | G35 | G35-P37 WeakPolarHBondContact CA-O 3.5Š|
| 38 | P | 94.6 | Very high | 97 | Very high | 68 Ų | 68 | 63.1 Ų | 63.1 | 44% | 0.442 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | 149 | 177.7 | -25.1 | 33.7 | 0 | 0 | 0 | 112.8 | F40 | P38-F40 HydrophobicContact CB-CD2 4.44Å; P38-F40 HydrophobicContact CB-CE1 4.32Å; P38-F40 HydrophobicContact CB-CE2 3.73Å; P38-F40 HydrophobicContact CB-CZ 3.65Å; P38-F40 HydrophobicContact CG-CZ 4.44Å |
| 39 | F | 97.3 | Very high | 97.1 | Very high | 13 Ų | 13 | 63.3 Ų | 63.3 | 6% | 0.057 | 36% | 0.357 | C | S | . | . | trans | -113.2 | 110.1 | -177.7 | -162.7 | -77.4 | 0 | 0 | 0 | 110.7 | R18 C31 C34 L41 F50 H55 | R18-F39 HydrophobicContact CB-CD1 4.23Å; R18-F39 HydrophobicContact CB-CD2 4.22Å; R18-F39 HydrophobicContact CB-CE1 3.83Å; R18-F39 HydrophobicContact CB-CE2 3.82Å; R18-F39 HydrophobicContact CB-CG 4.41Å; R18-F39 HydrophobicContact CB-CZ 3.62Å; R18-F39 HydrophobicContact CG-CD1 4.18Å; R18-F39 HydrophobicContact CG-CD2 3.97Å; R18-F39 HydrophobicContact CG-CE1 4.29Å; R18-F39 HydrophobicContact CG-CE2 4.09Å; R18-F39 HydrophobicContact CG-CG 4.02Å; R18-F39 HydrophobicContact CG-CZ 4.25Å; C31-F39 HydrophobicContact CB-CB 4.06Å; C31-F39 HydrophobicContact CB-CD1 4.37Å; C31-F39 PolarHBondContact N-O 3.42Å; C34-F39 HydrophobicContact CB-CB 3.51Å; C34-F39 HydrophobicContact CB-CG 4.17Å; F39-L41 HydrophobicContact CD1-CG 4.21Å; F39-L41 HydrophobicContact CE1-CD1 4.08Å; F39-L41 HydrophobicContact CE1-CD2 3.72Å; F39-L41 HydrophobicContact CE1-CG 3.75Å; F39-L41 HydrophobicContact CZ-CD2 4.45Å; F39-F50 HydrophobicContact CZ-CD1 4.31Å; F39-F50 HydrophobicContact CZ-CE1 4.02Å; F39-H55 HydrophobicContact CD1-CB 4.44Å; F39-H55 AromaticContact CD1-CD2 3.95Å; F39-H55 AromaticContact CD1-CG 3.96Å; F39-H55 HydrophobicContact CD2-CB 4.28Å; F39-H55 HydrophobicContact CE1-CB 4.04Å; F39-H55 AromaticContact CE1-CD2 3.17Å; F39-H55 WeakPolarHBondContact CE1-CD2 3.4Å; F39-H55 AromaticContact CE1-CG 3.54Å; F39-H55 AromaticContact CE1-NE2 3.62Å; F39-H55 HydrophobicContact CE2-CB 3.86Å; F39-H55 HydrophobicContact CZ-CB 3.73Å; F39-H55 AromaticContact CZ-CD2 3.47Å; F39-H55 VanDerWaalsContact CZ-CD2 3.47Å; F39-H55 WeakPolarHBondContact CZ-CD2 3.43Å; F39-H55 AromaticContact CZ-CG 3.72Å | ||
| 40 | F | 97.9 | Very high | 97.1 | Very high | 36 Ų | 36 | 65.6 Ų | 65.6 | 16% | 0.158 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 141.8 | -178.7 | -54.8 | -67.1 | 0 | 0 | 0 | 112.2 | P15 R18 L24 Y28 I29 K30 P38 | P15-F40 HydrophobicContact CB-CD2 3.78Å; P15-F40 HydrophobicContact CB-CE2 3.97Å; P15-F40 HydrophobicContact CG-CD2 3.98Å; P15-F40 HydrophobicContact CG-CE2 4.08Å; P15-F40 HydrophobicContact CG-CG 4.49Å; R18-F40 WeakPolarHBondContact CB-O 3.23Å; R18-F40 WeakPolarHBondContact CG-O 3.49Å; R18-F40 PolarHBondContact N-O 2.76Å; L24-F40 HydrophobicContact CD1-CB 3.33Å; L24-F40 HydrophobicContact CD1-CG 4.16Å; Y28-F40 HydrophobicContact CD2-CB 4.36Å; Y28-F40 HydrophobicContact CD2-CD1 4.07Å; Y28-F40 HydrophobicContact CD2-CG 4.49Å; Y28-F40 AromaticContact CE2-CD1 3.64Å; Y28-F40 HydrophobicContact CE2-CD1 3.64Å; Y28-F40 AromaticContact CE2-CE1 3.99Å; Y28-F40 HydrophobicContact CE2-CE1 3.99Å; Y28-F40 HydrophobicContact CE2-CG 4.2Å; I29-F40 CarbonylContact O-C 3.57Å; I29-F40 VanDerWaalsContact O-CA 3.23Å; I29-F40 WeakPolarHBondContact O-CA 3.21Å; K30-F40 HydrophobicContact CB-CD1 3.72Å; K30-F40 HydrophobicContact CB-CE1 3.73Å; K30-F40 HydrophobicContact CD-CE1 3.85Å; K30-F40 HydrophobicContact CG-CD1 3.94Å; K30-F40 HydrophobicContact CG-CE1 3.59Å; P38-F40 HydrophobicContact CB-CD2 4.44Å; P38-F40 HydrophobicContact CB-CE1 4.32Å; P38-F40 HydrophobicContact CB-CE2 3.73Å; P38-F40 HydrophobicContact CB-CZ 3.65Å; P38-F40 HydrophobicContact CG-CZ 4.44Å |
| 41 | L | 98.4 | Very high | 97.1 | Very high | 4 Ų | 4 | 67 Ų | 67 | 2% | 0.021 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 142.5 | 175.2 | -68.1 | 179.9 | 0 | 0 | 0 | 111 | R18 I29 F39 C45 F46 F50 H55 | R18-L41 HydrophobicContact CB-CD2 4.25Å; I29-L41 HydrophobicContact CB-CB 4.47Å; I29-L41 PolarHBondContact N-O 3.16Å; I29-L41 PolarHBondContact O-N 2.91Å; F39-L41 HydrophobicContact CD1-CG 4.21Å; F39-L41 HydrophobicContact CE1-CD1 4.08Å; F39-L41 HydrophobicContact CE1-CD2 3.72Å; F39-L41 HydrophobicContact CE1-CG 3.75Å; F39-L41 HydrophobicContact CZ-CD2 4.45Å; L41-C45 HydrophobicContact CB-CB 4.39Å; L41-C45 HydrophobicContact CD2-CB 3.93Å; L41-F46 HydrophobicContact CB-CB 4.35Å; L41-F46 HydrophobicContact CD1-CB 4.47Å; L41-F50 HydrophobicContact CD1-CB 4.36Å; L41-F50 HydrophobicContact CD1-CD1 4.43Å; L41-F50 HydrophobicContact CD2-CD1 3.76Å; L41-F50 HydrophobicContact CD2-CE1 4.37Å; L41-F50 HydrophobicContact CD2-CG 4.39Å; L41-H55 WeakPolarHBondContact CD1-NE2 3.17Å |
| 42 | C | 98.4 | Very high | 96.9 | Very high | 19 Ų | 19 | 72.2 Ų | 72.2 | 13% | 0.128 | 39% | 0.394 | C | S | . | . | trans | -70.5 | 158.9 | 162.9 | 71.9 | 0 | 0 | 0 | 0 | 109.3 | C17 C20 L24 Q44 C45 F46 | C17-C42 HydrophobicContact CB-CB 4.35Å; C17-C42 PolarHBondContact SG-N 3.1Å; C20-C42 VanDerWaalsContact SG-SG 3.7Å; L24-C42 HydrophobicContact CD2-CB 3.66Å; L24-C42 VanDerWaalsContact CD2-N 3.32Å; C42-Q44 PolarHBondContact O-N 2.9Å; C42-Q44 VanDerWaalsContact O-N 3.16Å; C42-C45 PolarHBondContact O-N 3Å; C42-C45 VanDerWaalsContact O-N 3.13Å; C42-C45 PolarHBondContact SG-N 2.87Å; C42-C45 VanDerWaalsContact SG-N 3.4Å; C42-C45 VanDerWaalsContact SG-SG 3.65Å; C42-F46 PolarHBondContact O-N 2.93Å | ||
| 43 | L | 98.1 | Very high | 96.7 | Very high | 81 Ų | 81 | 77.5 Ų | 77.5 | 42% | 0.424 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -57.2 | -33.9 | -179.7 | -58.4 | -179.6 | 0 | 0 | 0 | 112.9 | P27 I29 F46 T47 | P27-L43 HydrophobicContact CG-CD1 4.22Å; P27-L43 WeakPolarHBondContact O-CG 3.31Å; I29-L43 HydrophobicContact CD1-CD2 4.14Å; I29-L43 HydrophobicContact CG1-CD2 4.18Å; L43-F46 PolarHBondContact O-N 2.83Å; L43-T47 WeakPolarHBondContact O-CB 3.49Å; L43-T47 VanDerWaalsContact O-CG2 3.26Å; L43-T47 WeakPolarHBondContact O-CG2 3.48Å; L43-T47 PolarHBondContact O-N 2.91Å; L43-T47 PolarHBondContact O-OG1 3.16Å |
| 44 | Q | 98.4 | Very high | 96.6 | Very high | 149 Ų | 149 | 81.1 Ų | 81.1 | 70% | 0.696 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -68 | -40.1 | 178.8 | -67.1 | -177 | -23.3 | 0 | 0 | 112.8 | C42 T47 R48 | C42-Q44 PolarHBondContact O-N 2.9Å; C42-Q44 VanDerWaalsContact O-N 3.16Å; Q44-T47 PolarHBondContact O-OG1 3.45Å; Q44-R48 WeakPolarHBondContact O-CB 3.26Å; Q44-R48 WeakPolarHBondContact O-CD 3.41Å; Q44-R48 VanDerWaalsContact O-CG 3.31Å; Q44-R48 WeakPolarHBondContact O-CG 3.25Å; Q44-R48 PolarHBondContact O-N 3.05Å |
| 45 | C | 98.5 | Very high | 96.7 | Very high | 16 Ų | 16 | 80.8 Ų | 80.8 | 11% | 0.108 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -71.1 | -39.3 | 175 | -73 | 0 | 0 | 0 | 0 | 111.1 | L41 C42 R48 F50 | L41-C45 HydrophobicContact CB-CB 4.39Å; L41-C45 HydrophobicContact CD2-CB 3.93Å; C42-C45 PolarHBondContact O-N 3Å; C42-C45 VanDerWaalsContact O-N 3.13Å; C42-C45 PolarHBondContact SG-N 2.87Å; C42-C45 VanDerWaalsContact SG-N 3.4Å; C42-C45 VanDerWaalsContact SG-SG 3.65Å; C45-R48 PolarHBondContact O-N 3.28Å; C45-F50 HydrophobicContact CB-CB 4.09Å; C45-F50 WeakPolarHBondContact O-CB 3.48Å; C45-F50 PolarHBondContact O-N 3.28Å; C45-F50 VanDerWaalsContact O-N 3.1Å |
| 46 | F | 98.4 | Very high | 97 | Very high | 55 Ų | 55 | 81.7 Ų | 81.7 | 24% | 0.241 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -62.5 | -51.4 | 177.9 | 179 | -104.7 | 0 | 0 | 0 | 112.1 | I29 L41 C42 L43 R48 G49 Y61 | I29-F46 HydrophobicContact CB-CD2 4.22Å; I29-F46 HydrophobicContact CB-CG 4.39Å; I29-F46 HydrophobicContact CD1-CD1 4.45Å; I29-F46 HydrophobicContact CG1-CB 3.93Å; I29-F46 HydrophobicContact CG1-CD1 4.01Å; I29-F46 HydrophobicContact CG1-CD2 3.95Å; I29-F46 HydrophobicContact CG1-CE2 4.47Å; I29-F46 HydrophobicContact CG1-CG 3.69Å; I29-F46 HydrophobicContact CG2-CD2 3.84Å; I29-F46 HydrophobicContact CG2-CE2 4.01Å; I29-F46 HydrophobicContact CG2-CG 4.46Å; L41-F46 HydrophobicContact CB-CB 4.35Å; L41-F46 HydrophobicContact CD1-CB 4.47Å; C42-F46 PolarHBondContact O-N 2.93Å; L43-F46 PolarHBondContact O-N 2.83Å; F46-R48 PolarHBondContact O-N 3.15Å; F46-R48 VanDerWaalsContact O-N 3.16Å; F46-G49 PolarHBondContact O-N 3.13Å; F46-Y61 HydrophobicContact CE2-CD1 4.02Å; F46-Y61 HydrophobicContact CE2-CE1 4.27Å; F46-Y61 HydrophobicContact CE2-CG 4.24Å; F46-Y61 AromaticContact CZ-CD1 3.86Å; F46-Y61 HydrophobicContact CZ-CD1 3.86Å; F46-Y61 HydrophobicContact CZ-CD2 4.41Å; F46-Y61 AromaticContact CZ-CE1 3.63Å; F46-Y61 HydrophobicContact CZ-CE1 3.63Å; F46-Y61 HydrophobicContact CZ-CE2 4.21Å; F46-Y61 HydrophobicContact CZ-CG 4.25Å; F46-Y61 AromaticContact CZ-CZ 3.82Å |
| 47 | T | 98.1 | Very high | 97.3 | Very high | 113 Ų | 113 | 78 Ų | 78 | 69% | 0.693 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -64.1 | -20.6 | -179.7 | 50.1 | 0 | 0 | 0 | 0 | 114 | L43 Q44 G49 | L43-T47 WeakPolarHBondContact O-CB 3.49Å; L43-T47 VanDerWaalsContact O-CG2 3.26Å; L43-T47 WeakPolarHBondContact O-CG2 3.48Å; L43-T47 PolarHBondContact O-N 2.91Å; L43-T47 PolarHBondContact O-OG1 3.16Å; Q44-T47 PolarHBondContact O-OG1 3.45Å; T47-G49 VanDerWaalsContact C-N 3.31Å |
| 48 | R | 98.4 | Very high | 97.6 | Very high | 223 Ų | 223 | 80.7 Ų | 80.7 | 84% | 0.842 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -1.2 | 173.3 | -76.4 | 177.2 | 155 | -175.4 | -5.6 | 113.9 | Q44 C45 F46 | Q44-R48 WeakPolarHBondContact O-CB 3.26Å; Q44-R48 WeakPolarHBondContact O-CD 3.41Å; Q44-R48 VanDerWaalsContact O-CG 3.31Å; Q44-R48 WeakPolarHBondContact O-CG 3.25Å; Q44-R48 PolarHBondContact O-N 3.05Å; C45-R48 PolarHBondContact O-N 3.28Å; F46-R48 PolarHBondContact O-N 3.15Å; F46-R48 VanDerWaalsContact O-N 3.16Å |
| 49 | G | 98.3 | Very high | 97.8 | Very high | 32 Ų | 32 | 79 Ų | 79 | 33% | 0.33 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 43.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F46 T47 E51 | F46-G49 PolarHBondContact O-N 3.13Å; T47-G49 VanDerWaalsContact C-N 3.31Å; G49-E51 PolarHBondContact O-N 2.79Å |
| 50 | F | 98.5 | Very high | 97.9 | Very high | 57 Ų | 57 | 82.5 Ų | 82.5 | 25% | 0.25 | 40% | 0.403 | C | S | . | . | trans | -60.4 | 122.8 | 179 | 179.7 | -92.8 | 0 | 0 | 0 | 110.9 | G19 F39 L41 C45 Y52 H55 | G19-F50 VanDerWaalsContact CA-CZ 3.48Å; F39-F50 HydrophobicContact CZ-CD1 4.31Å; F39-F50 HydrophobicContact CZ-CE1 4.02Å; L41-F50 HydrophobicContact CD1-CB 4.36Å; L41-F50 HydrophobicContact CD1-CD1 4.43Å; L41-F50 HydrophobicContact CD2-CD1 3.76Å; L41-F50 HydrophobicContact CD2-CE1 4.37Å; L41-F50 HydrophobicContact CD2-CG 4.39Å; C45-F50 HydrophobicContact CB-CB 4.09Å; C45-F50 WeakPolarHBondContact O-CB 3.48Å; C45-F50 PolarHBondContact O-N 3.28Å; C45-F50 VanDerWaalsContact O-N 3.1Å; F50-Y52 HydrophobicContact CE1-CG 4.49Å; F50-Y52 HydrophobicContact CZ-CG 4.43Å; F50-H55 PolarHBondContact O-CD2 3.4Å; F50-H55 PolarHBondContact O-NE2 2.89Å | ||
| 51 | E | 98.1 | Very high | 97.9 | Very high | 91 Ų | 91 | 86.4 Ų | 86.4 | 43% | 0.425 | 42% | 0.417 | S | S | . | . | trans | -121 | 140.7 | 177.3 | -67.4 | -177.4 | 169 | 0 | 0 | 110.2 | G49 S57 | G49-E51 PolarHBondContact O-N 2.79Å; E51-S57 WeakPolarHBondContact OE1-CB 3.23Å; E51-S57 PolarHBondContact OE1-N 2.72Å; E51-S57 PolarHBondContact OE1-OG 3.2Å | ||
| 52 | Y | 94.8 | Very high | 97.9 | Very high | 116 Ų | 116 | 90.5 Ų | 90.5 | 46% | 0.455 | 44% | 0.436 | S | S | . | . | B | Isolated β-bridge | trans | -157.3 | 127 | 178.6 | -177.7 | -108.6 | 0 | 0 | 0 | 111.8 | F50 K54 H55 | F50-Y52 HydrophobicContact CE1-CG 4.49Å; F50-Y52 HydrophobicContact CZ-CG 4.43Å; Y52-K54 PolarHBondContact O-N 2.86Å; Y52-H55 PolarHBondContact N-O 3.29Å; Y52-H55 WeakPolarHBondContact O-CB 3.39Å; Y52-H55 PolarHBondContact O-N 3.35Å |
| 53 | K | 94.4 | Very high | 97.8 | Very high | 164 Ų | 164 | 94.4 Ų | 94.4 | 71% | 0.713 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | -111.1 | -177.5 | -66 | 176.1 | 172.1 | 162 | 0 | 110.7 | ||
| 54 | K | 96.1 | Very high | 97.8 | Very high | 182 Ų | 182 | 93.2 Ų | 93.2 | 79% | 0.791 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -9.8 | -178.1 | -63.5 | -173.9 | 177.7 | -176.1 | 0 | 113.1 | Y52 H59 | Y52-K54 PolarHBondContact O-N 2.86Å; K54-H59 PolarHBondContact O-CE1 3.1Å |
| 55 | H | 98.1 | Very high | 97.7 | Very high | 12 Ų | 12 | 88.6 Ų | 88.6 | 6% | 0.056 | 43% | 0.43 | C | S | . | . | B | Isolated β-bridge | trans | -79.1 | 126.4 | 176.2 | 178.2 | 51 | 0 | 0 | 0 | 109.7 | F39 L41 F50 Y52 H59 | F39-H55 HydrophobicContact CD1-CB 4.44Å; F39-H55 AromaticContact CD1-CD2 3.95Å; F39-H55 AromaticContact CD1-CG 3.96Å; F39-H55 HydrophobicContact CD2-CB 4.28Å; F39-H55 HydrophobicContact CE1-CB 4.04Å; F39-H55 AromaticContact CE1-CD2 3.17Å; F39-H55 WeakPolarHBondContact CE1-CD2 3.4Å; F39-H55 AromaticContact CE1-CG 3.54Å; F39-H55 AromaticContact CE1-NE2 3.62Å; F39-H55 HydrophobicContact CE2-CB 3.86Å; F39-H55 HydrophobicContact CZ-CB 3.73Å; F39-H55 AromaticContact CZ-CD2 3.47Å; F39-H55 VanDerWaalsContact CZ-CD2 3.47Å; F39-H55 WeakPolarHBondContact CZ-CD2 3.43Å; F39-H55 AromaticContact CZ-CG 3.72Å; L41-H55 WeakPolarHBondContact CD1-NE2 3.17Å; F50-H55 PolarHBondContact O-CD2 3.4Å; F50-H55 PolarHBondContact O-NE2 2.89Å; Y52-H55 PolarHBondContact N-O 3.29Å; Y52-H55 WeakPolarHBondContact O-CB 3.39Å; Y52-H55 PolarHBondContact O-N 3.35Å; H55-H59 AromaticContact ND1-ND1 3.8Å |
| 56 | Q | 98.5 | Very high | 97.5 | Very high | 76 Ų | 76 | 89.4 Ų | 89.4 | 36% | 0.355 | 44% | 0.436 | S | S | . | . | trans | -111.3 | 153.8 | 168.6 | -56.9 | -62.6 | -72.5 | 0 | 0 | 109.8 | D58 H59 | Q56-D58 WeakPolarHBondContact CB-OD1 3.35Å; Q56-D58 PolarHBondContact O-N 3.49Å; Q56-H59 PolarHBondContact O-N 2.93Å | ||
| 57 | S | 98.2 | Very high | 97.4 | Very high | 56 Ų | 56 | 92.7 Ų | 92.7 | 39% | 0.392 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -13.8 | -175.7 | 56.7 | 0 | 0 | 0 | 0 | 113.8 | E51 | E51-S57 WeakPolarHBondContact OE1-CB 3.23Å; E51-S57 PolarHBondContact OE1-N 2.72Å; E51-S57 PolarHBondContact OE1-OG 3.2Å |
| 58 | D | 98.1 | Very high | 97.4 | Very high | 132 Ų | 132 | 92.2 Ų | 92.2 | 71% | 0.706 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | 1 | 179.3 | 66.1 | -14.9 | 0 | 0 | 0 | 114 | Q56 | Q56-D58 WeakPolarHBondContact CB-OD1 3.35Å; Q56-D58 PolarHBondContact O-N 3.49Å |
| 59 | H | 98.6 | Very high | 97.3 | Very high | 33 Ų | 33 | 85.3 Ų | 85.3 | 15% | 0.153 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -58.9 | 142.9 | 173.3 | -74.4 | -169.9 | 0 | 0 | 0 | 111.2 | C31 E33 C34 K54 H55 Q56 | C31-H59 PolarHBondContact SG-ND1 2.54Å; E33-H59 HydrophobicContact CB-CB 4.34Å; E33-H59 HydrophobicContact CG-CB 4.38Å; E33-H59 WeakPolarHBondContact OE1-CA 3.46Å; E33-H59 IonicContact OE2-CD2 3.62Å; E33-H59 IonicContact OE2-CG 3.82Å; E33-H59 IonicContact OE2-NE2 3.92Å; C34-H59 PolarHBondContact SG-ND1 2.79Å; C34-H59 VanDerWaalsContact SG-ND1 3.43Å; K54-H59 PolarHBondContact O-CE1 3.1Å; H55-H59 AromaticContact ND1-ND1 3.8Å; Q56-H59 PolarHBondContact O-N 2.93Å |
| 60 | T | 98.6 | Very high | 97.2 | Very high | 85 Ų | 85 | 87.6 Ų | 87.6 | 52% | 0.521 | 44% | 0.436 | S | S | . | . | trans | -58.4 | 147.3 | 169 | 55.6 | 0 | 0 | 0 | 0 | 111 | A32 E33 | A32-T60 WeakPolarHBondContact CB-O 3.22Å; A32-T60 PolarHBondContact N-O 2.83Å; E33-T60 WeakPolarHBondContact CG-OG1 3.44Å; E33-T60 PolarHBondContact OE1-N 2.76Å; E33-T60 PolarHBondContact OE1-OG1 3.15Å | ||
| 61 | Y | 98.5 | Very high | 97.1 | Very high | 119 Ų | 119 | 92 Ų | 92 | 47% | 0.467 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 158.6 | -170.1 | 67.6 | -91.4 | 0 | 0 | 0 | 112.8 | I29 K30 F46 I63 | I29-Y61 HydrophobicContact CD1-CD2 4.08Å; I29-Y61 HydrophobicContact CD1-CE2 4.26Å; I29-Y61 HydrophobicContact CG2-CD2 3.96Å; I29-Y61 HydrophobicContact CG2-CG 4.01Å; K30-Y61 CarbonylContact O-C 3.47Å; K30-Y61 WeakPolarHBondContact O-CA 3.37Å; F46-Y61 HydrophobicContact CE2-CD1 4.02Å; F46-Y61 HydrophobicContact CE2-CE1 4.27Å; F46-Y61 HydrophobicContact CE2-CG 4.24Å; F46-Y61 AromaticContact CZ-CD1 3.86Å; F46-Y61 HydrophobicContact CZ-CD1 3.86Å; F46-Y61 HydrophobicContact CZ-CD2 4.41Å; F46-Y61 AromaticContact CZ-CE1 3.63Å; F46-Y61 HydrophobicContact CZ-CE1 3.63Å; F46-Y61 HydrophobicContact CZ-CE2 4.21Å; F46-Y61 HydrophobicContact CZ-CG 4.25Å; F46-Y61 AromaticContact CZ-CZ 3.82Å; Y61-I63 HydrophobicContact CD2-CG1 4.29Å; Y61-I63 HydrophobicContact CE2-CD1 4.39Å; Y61-I63 HydrophobicContact CE2-CG1 3.95Å |
| 62 | E | 98.1 | Very high | 97 | Very high | 89 Ų | 89 | 91.4 Ų | 91.4 | 42% | 0.416 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 139.2 | 172.4 | -66.5 | 168.6 | -176.5 | 0 | 0 | 109 | K30 M64 | K30-E62 HydrophobicContact CB-CB 4.37Å; K30-E62 WeakPolarHBondContact CD-OE2 3.31Å; K30-E62 WeakPolarHBondContact CE-OE2 3.49Å; K30-E62 PolarHBondContact N-O 3.12Å; K30-E62 IonicContact NZ-OE1 3.97Å; K30-E62 IonicContact NZ-OE2 2.75Å; K30-E62 PolarHBondContact NZ-OE2 3.49Å; K30-E62 PolarHBondContact O-N 3.16Å; E62-M64 HydrophobicContact CB-SD 4.42Å |
| 63 | I | 97.6 | Very high | 97.1 | Very high | 102 Ų | 102 | 91.5 Ų | 91.5 | 52% | 0.523 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 117.6 | 170.4 | -57.3 | 175.7 | 0 | 0 | 0 | 107.1 | P27 I29 Y61 T65 | P27-I63 HydrophobicContact CB-CG2 3.96Å; I29-I63 HydrophobicContact CD1-CG1 4.04Å; Y61-I63 HydrophobicContact CD2-CG1 4.29Å; Y61-I63 HydrophobicContact CE2-CD1 4.39Å; Y61-I63 HydrophobicContact CE2-CG1 3.95Å; I63-T65 HydrophobicContact CG2-CG2 4.31Å |
| 64 | M | 96.9 | Very high | 97.3 | Very high | 55 Ų | 55 | 87.8 Ų | 87.8 | 27% | 0.271 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 112.4 | 176.4 | -55.7 | -56.9 | -58.3 | 0 | 0 | 108.4 | P27 Y28 K30 E62 | P27-M64 VanDerWaalsContact CA-O 3.26Å; P27-M64 WeakPolarHBondContact CA-O 3.39Å; Y28-M64 HydrophobicContact CD1-CB 4.04Å; Y28-M64 HydrophobicContact CD2-CB 3.82Å; Y28-M64 HydrophobicContact CD2-CG 3.86Å; Y28-M64 HydrophobicContact CE1-CB 3.7Å; Y28-M64 HydrophobicContact CE2-CB 3.5Å; Y28-M64 VanDerWaalsContact CE2-CB 3.5Å; Y28-M64 HydrophobicContact CE2-CG 3.41Å; Y28-M64 VanDerWaalsContact CE2-CG 3.41Å; Y28-M64 HydrophobicContact CG-CB 4.08Å; Y28-M64 VanDerWaalsContact CZ-CB 3.41Å; Y28-M64 PolarHBondContact N-O 2.92Å; Y28-M64 VanDerWaalsContact N-O 3.15Å; Y28-M64 PolarHBondContact O-N 2.97Å; K30-M64 HydrophobicContact CB-CG 3.8Å; K30-M64 HydrophobicContact CB-SD 3.9Å; K30-M64 HydrophobicContact CD-SD 3.9Å; E62-M64 HydrophobicContact CB-SD 4.42Å |
| 65 | T | 95.8 | Very high | 97.3 | Very high | 52 Ų | 52 | 84.3 Ų | 84.3 | 32% | 0.319 | 45% | 0.452 | S | S | . | . | trans | -156.7 | 149 | -179.6 | -175 | 0 | 0 | 0 | 0 | 110.8 | E26 I63 D67 F68 | E26-T65 WeakPolarHBondContact OE2-CA 3.5Å; I63-T65 HydrophobicContact CG2-CG2 4.31Å; T65-D67 PolarHBondContact OG1-N 3.31Å; T65-F68 VanDerWaalsContact O-CE1 3.23Å; T65-F68 WeakPolarHBondContact O-CE1 3.25Å | ||
| 66 | S | 95.7 | Very high | 97.3 | Very high | 33 Ų | 33 | 85 Ų | 85 | 23% | 0.231 | 46% | 0.458 | C | S | . | . | trans | -108.9 | 10.7 | 175.5 | -54.3 | 0 | 0 | 0 | 0 | 112.7 | E26 F68 A77 Q78 | E26-S66 PolarHBondContact OE1-OG 3.05Å; E26-S66 VanDerWaalsContact OE2-CB 3.25Å; E26-S66 WeakPolarHBondContact OE2-CB 3.27Å; E26-S66 PolarHBondContact OE2-N 3.02Å; E26-S66 PolarHBondContact OE2-OG 3.17Å; S66-F68 PolarHBondContact O-N 3.02Å; S66-A77 WeakPolarHBondContact O-CB 3.44Å; S66-A77 PolarHBondContact O-N 2.86Å; S66-Q78 PolarHBondContact O-N 3.38Å | ||
| 67 | D | 96.7 | Very high | 97.2 | Very high | 125 Ų | 125 | 82.3 Ų | 82.3 | 67% | 0.668 | 45% | 0.448 | S | S | * | . | trans | -84.1 | 60.3 | 178.6 | -171.8 | 22.2 | 0 | 0 | 0 | 111.3 | T65 T76 | T65-D67 PolarHBondContact OG1-N 3.31Å; D67-T76 WeakPolarHBondContact OD1-CG2 3.47Å | ||
| 68 | F | 96.3 | Very high | 97.1 | Very high | 102 Ų | 102 | 85.6 Ų | 85.6 | 45% | 0.447 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -151.1 | 150.2 | 177.4 | 65.7 | -87.9 | 0 | 0 | 0 | 111 | T65 S66 V70 T76 A77 | T65-F68 VanDerWaalsContact O-CE1 3.23Å; T65-F68 WeakPolarHBondContact O-CE1 3.25Å; S66-F68 PolarHBondContact O-N 3.02Å; F68-V70 HydrophobicContact CD2-CG2 4.14Å; F68-V70 HydrophobicContact CE2-CG2 3.66Å; F68-V70 HydrophobicContact CZ-CG2 4.39Å; F68-T76 CarbonylContact O-C 3.53Å; F68-T76 WeakPolarHBondContact O-CA 3.29Å; F68-A77 HydrophobicContact CD1-CB 4.48Å; F68-A77 HydrophobicContact CE1-CB 4.07Å; F68-A77 HydrophobicContact CE2-CB 4.19Å; F68-A77 HydrophobicContact CZ-CB 3.91Å; F68-A77 PolarHBondContact O-N 3.33Å |
| 69 | P | 97.6 | Very high | 97 | Very high | 79 Ų | 79 | 83.6 Ų | 83.6 | 51% | 0.513 | 44% | 0.444 | S | S | . | . | B | Isolated β-bridge | trans | -76.5 | 141.6 | 178.3 | 30.8 | -34.5 | 0 | 0 | 0 | 112.3 | D72 W75 | P69-D72 WeakPolarHBondContact CB-O 3.36Å; P69-W75 VanDerWaalsContact CA-O 3.25Å; P69-W75 WeakPolarHBondContact CA-O 3.36Å |
| 70 | V | 95.9 | Very high | 96.9 | Very high | 80 Ų | 80 | 83.6 Ų | 83.6 | 49% | 0.485 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -112.6 | -58 | 177.3 | -178.8 | 0 | 0 | 0 | 0 | 110.8 | F68 A77 E80 | F68-V70 HydrophobicContact CD2-CG2 4.14Å; F68-V70 HydrophobicContact CE2-CG2 3.66Å; F68-V70 HydrophobicContact CZ-CG2 4.39Å; V70-A77 HydrophobicContact CG2-CB 3.56Å; V70-E80 WeakPolarHBondContact CB-OE2 3.34Å |
| 71 | L | 96.1 | Very high | 96.7 | Very high | 150 Ų | 150 | 84.2 Ų | 84.2 | 79% | 0.785 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -104.4 | -43.4 | -177 | -57 | 176 | 0 | 0 | 0 | 112.5 | E80 | L71-E80 VanDerWaalsContact CB-OE1 3.29Å; L71-E80 WeakPolarHBondContact CB-OE1 3.45Å; L71-E80 WeakPolarHBondContact CG-OE1 3.42Å; L71-E80 PolarHBondContact N-OE1 2.98Å |
| 72 | D | 97 | Very high | 96.5 | Very high | 77 Ų | 77 | 81 Ų | 81 | 41% | 0.412 | 44% | 0.44 | S | S | . | . | trans | -124.3 | 137.1 | -179.9 | -171.2 | -81 | 0 | 0 | 0 | 110.9 | P69 S74 W75 | P69-D72 WeakPolarHBondContact CB-O 3.36Å; D72-S74 PolarHBondContact O-N 2.92Å; D72-S74 VanDerWaalsContact O-N 3.1Å; D72-S74 WeakPolarHBondContact OD1-CA 3.25Å; D72-S74 VanDerWaalsContact OD1-CB 3.31Å; D72-S74 WeakPolarHBondContact OD1-CB 3.37Å; D72-S74 PolarHBondContact OD1-N 2.82Å; D72-S74 PolarHBondContact OD1-OG 2.99Å; D72-W75 PolarHBondContact O-N 2.9Å; D72-W75 VanDerWaalsContact O-N 3.15Å; D72-W75 VanDerWaalsContact O-O 3.09Å | ||
| 73 | P | 96.7 | Very high | 96.3 | Very high | 118 Ų | 118 | 79.8 Ų | 79.8 | 77% | 0.766 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -18.7 | -179.8 | -23.7 | 34.1 | 0 | 0 | 0 | 115.4 | ||
| 74 | S | 97.3 | Very high | 96.2 | Very high | 86 Ų | 86 | 80 Ų | 80 | 60% | 0.601 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -5.1 | -179.8 | 65.8 | 0 | 0 | 0 | 0 | 114.1 | D72 | D72-S74 PolarHBondContact O-N 2.92Å; D72-S74 VanDerWaalsContact O-N 3.1Å; D72-S74 WeakPolarHBondContact OD1-CA 3.25Å; D72-S74 VanDerWaalsContact OD1-CB 3.31Å; D72-S74 WeakPolarHBondContact OD1-CB 3.37Å; D72-S74 PolarHBondContact OD1-N 2.82Å; D72-S74 PolarHBondContact OD1-OG 2.99Å |
| 75 | W | 97.6 | Very high | 96 | Very high | 109 Ų | 109 | 81.9 Ų | 81.9 | 41% | 0.413 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -121.5 | 136.1 | -179.8 | -75.6 | 63.1 | 0 | 0 | 0 | 110.8 | P69 D72 E79 E80 L83 | P69-W75 VanDerWaalsContact CA-O 3.25Å; P69-W75 WeakPolarHBondContact CA-O 3.36Å; D72-W75 PolarHBondContact O-N 2.9Å; D72-W75 VanDerWaalsContact O-N 3.15Å; D72-W75 VanDerWaalsContact O-O 3.09Å; W75-E79 HydrophobicContact CD2-CB 4.38Å; W75-E79 HydrophobicContact CE3-CB 3.57Å; W75-E79 HydrophobicContact CZ3-CB 4.05Å; W75-E80 HydrophobicContact CB-CG 4.33Å; W75-L83 HydrophobicContact CZ3-CB 4.17Å; W75-L83 HydrophobicContact CZ3-CD2 4.22Å |
| 76 | T | 97.9 | Very high | 96 | Very high | 28 Ų | 28 | 81.6 Ų | 81.6 | 17% | 0.172 | 45% | 0.448 | C | S | . | . | B | Isolated β-bridge | trans | -82.8 | 157.4 | 171.4 | 59.8 | 0 | 0 | 0 | 0 | 111.3 | D67 F68 Q78 E79 E80 | D67-T76 WeakPolarHBondContact OD1-CG2 3.47Å; F68-T76 CarbonylContact O-C 3.53Å; F68-T76 WeakPolarHBondContact O-CA 3.29Å; T76-Q78 PolarHBondContact O-N 2.91Å; T76-E79 WeakPolarHBondContact CB-OE2 3.46Å; T76-E79 PolarHBondContact N-OE2 3.04Å; T76-E79 PolarHBondContact O-N 2.99Å; T76-E79 VanDerWaalsContact OG1-CG 3.27Å; T76-E79 WeakPolarHBondContact OG1-CG 3.27Å; T76-E79 PolarHBondContact OG1-N 2.92Å; T76-E79 VanDerWaalsContact OG1-N 3.16Å; T76-E79 PolarHBondContact OG1-OE2 3.38Å; T76-E80 PolarHBondContact O-N 2.91Å |
| 77 | A | 96.4 | Very high | 96 | Very high | 18 Ų | 18 | 82 Ų | 82 | 15% | 0.149 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -54.4 | -34 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S66 F68 V70 M81 | S66-A77 WeakPolarHBondContact O-CB 3.44Å; S66-A77 PolarHBondContact O-N 2.86Å; F68-A77 HydrophobicContact CD1-CB 4.48Å; F68-A77 HydrophobicContact CE1-CB 4.07Å; F68-A77 HydrophobicContact CE2-CB 4.19Å; F68-A77 HydrophobicContact CZ-CB 3.91Å; F68-A77 PolarHBondContact O-N 3.33Å; V70-A77 HydrophobicContact CG2-CB 3.56Å; A77-M81 PolarHBondContact O-N 2.95Å |
| 78 | Q | 95.4 | Very high | 95.8 | Very high | 125 Ų | 125 | 83.4 Ų | 83.4 | 58% | 0.584 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -64.9 | -44.8 | 174.7 | -171.7 | -178.4 | -43.6 | 0 | 0 | 112.4 | S66 T76 M81 A82 | S66-Q78 PolarHBondContact O-N 3.38Å; T76-Q78 PolarHBondContact O-N 2.91Å; Q78-M81 PolarHBondContact O-N 2.94Å; Q78-A82 WeakPolarHBondContact O-CB 3.43Å; Q78-A82 PolarHBondContact O-N 3.36Å |
| 79 | E | 96.4 | Very high | 95.7 | Very high | 90 Ų | 90 | 85.2 Ų | 85.2 | 42% | 0.421 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.9 | -38.3 | 178.3 | -72.1 | 163.4 | 134.4 | 0 | 0 | 111.8 | W75 T76 M81 A82 L83 | W75-E79 HydrophobicContact CD2-CB 4.38Å; W75-E79 HydrophobicContact CE3-CB 3.57Å; W75-E79 HydrophobicContact CZ3-CB 4.05Å; T76-E79 WeakPolarHBondContact CB-OE2 3.46Å; T76-E79 PolarHBondContact N-OE2 3.04Å; T76-E79 PolarHBondContact O-N 2.99Å; T76-E79 VanDerWaalsContact OG1-CG 3.27Å; T76-E79 WeakPolarHBondContact OG1-CG 3.27Å; T76-E79 PolarHBondContact OG1-N 2.92Å; T76-E79 VanDerWaalsContact OG1-N 3.16Å; T76-E79 PolarHBondContact OG1-OE2 3.38Å; E79-M81 VanDerWaalsContact C-N 3.35Å; E79-A82 PolarHBondContact O-N 3.14Å; E79-L83 WeakPolarHBondContact O-CB 3.48Å; E79-L83 PolarHBondContact O-N 3.13Å |
| 80 | E | 96.6 | Very high | 95.6 | Very high | 33 Ų | 33 | 85 Ų | 85 | 15% | 0.154 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 172.9 | -69.1 | -176.1 | -173.4 | 0 | 0 | 111.6 | V70 L71 W75 T76 L83 L84 | V70-E80 WeakPolarHBondContact CB-OE2 3.34Å; L71-E80 VanDerWaalsContact CB-OE1 3.29Å; L71-E80 WeakPolarHBondContact CB-OE1 3.45Å; L71-E80 WeakPolarHBondContact CG-OE1 3.42Å; L71-E80 PolarHBondContact N-OE1 2.98Å; W75-E80 HydrophobicContact CB-CG 4.33Å; T76-E80 PolarHBondContact O-N 2.91Å; E80-L83 WeakPolarHBondContact O-CB 3.15Å; E80-L83 PolarHBondContact O-N 3.29Å; E80-L84 WeakPolarHBondContact O-CG 3.42Å; E80-L84 PolarHBondContact O-N 3.22Å; E80-L84 VanDerWaalsContact O-N 3.13Å |
| 81 | M | 94.2 | Very high | 95.5 | Very high | 99 Ų | 99 | 83 Ų | 83 | 49% | 0.488 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.4 | -45.6 | 176.3 | -169.7 | 59.9 | 63.1 | 0 | 0 | 111.6 | A77 Q78 E79 L83 L84 E85 | A77-M81 PolarHBondContact O-N 2.95Å; Q78-M81 PolarHBondContact O-N 2.94Å; E79-M81 VanDerWaalsContact C-N 3.35Å; M81-L83 PolarHBondContact O-N 2.83Å; M81-L84 PolarHBondContact O-N 2.85Å; M81-E85 HydrophobicContact CG-CG 4.49Å; M81-E85 WeakPolarHBondContact O-CG 3.28Å; M81-E85 PolarHBondContact O-N 3.38Å |
| 82 | A | 93.6 | Very high | 95.4 | Very high | 51 Ų | 51 | 84.1 Ų | 84.1 | 42% | 0.421 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59.2 | -36.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q78 E79 A86 | Q78-A82 WeakPolarHBondContact O-CB 3.43Å; Q78-A82 PolarHBondContact O-N 3.36Å; E79-A82 PolarHBondContact O-N 3.14Å; A82-A86 VanDerWaalsContact O-CB 3.29Å; A82-A86 WeakPolarHBondContact O-CB 3.46Å; A82-A86 PolarHBondContact O-N 3.31Å |
| 83 | L | 94.9 | Very high | 95.2 | Very high | 63 Ų | 63 | 82.7 Ų | 82.7 | 33% | 0.33 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63 | -46.7 | 172.8 | 176 | 66.6 | 0 | 0 | 0 | 111.7 | W75 E79 E80 M81 A86 V87 W95 | W75-L83 HydrophobicContact CZ3-CB 4.17Å; W75-L83 HydrophobicContact CZ3-CD2 4.22Å; E79-L83 WeakPolarHBondContact O-CB 3.48Å; E79-L83 PolarHBondContact O-N 3.13Å; E80-L83 WeakPolarHBondContact O-CB 3.15Å; E80-L83 PolarHBondContact O-N 3.29Å; M81-L83 PolarHBondContact O-N 2.83Å; L83-A86 PolarHBondContact O-N 2.78Å; L83-V87 HydrophobicContact CD1-CG2 4.25Å; L83-V87 WeakPolarHBondContact O-CB 3.42Å; L83-V87 VanDerWaalsContact O-CG2 3.28Å; L83-V87 WeakPolarHBondContact O-CG2 3.41Å; L83-V87 PolarHBondContact O-N 2.95Å; L83-W95 HydrophobicContact CD1-CH2 4.46Å; L83-W95 HydrophobicContact CD1-CZ3 3.77Å |
| 84 | L | 94.4 | Very high | 94.9 | Very high | 106 Ų | 106 | 82.4 Ų | 82.4 | 56% | 0.555 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -65.1 | -40.1 | -179.8 | -67.3 | 177.4 | 0 | 0 | 0 | 112 | E80 M81 V87 M88 | E80-L84 WeakPolarHBondContact O-CG 3.42Å; E80-L84 PolarHBondContact O-N 3.22Å; E80-L84 VanDerWaalsContact O-N 3.13Å; M81-L84 PolarHBondContact O-N 2.85Å; L84-V87 PolarHBondContact O-N 2.93Å; L84-M88 WeakPolarHBondContact O-CB 3.38Å; L84-M88 PolarHBondContact O-N 3.45Å |
| 85 | E | 93.9 | Very high | 94.3 | Very high | 96 Ų | 96 | 89.4 Ų | 89.4 | 45% | 0.449 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.1 | -49.7 | 172 | -70.3 | 174.7 | 178.3 | 0 | 0 | 110.7 | M81 V87 M88 D89 | M81-E85 HydrophobicContact CG-CG 4.49Å; M81-E85 WeakPolarHBondContact O-CG 3.28Å; M81-E85 PolarHBondContact O-N 3.38Å; E85-V87 VanDerWaalsContact C-N 3.35Å; E85-V87 PolarHBondContact O-N 2.84Å; E85-M88 WeakPolarHBondContact O-CB 3.13Å; E85-M88 PolarHBondContact O-N 2.8Å; E85-M88 VanDerWaalsContact O-N 3.11Å; E85-D89 PolarHBondContact O-N 3.45Å |
| 86 | A | 94.4 | Very high | 94.1 | Very high | 45 Ų | 45 | 88.4 Ų | 88.4 | 37% | 0.372 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.5 | -40.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A82 L83 M88 D89 C90 | A82-A86 VanDerWaalsContact O-CB 3.29Å; A82-A86 WeakPolarHBondContact O-CB 3.46Å; A82-A86 PolarHBondContact O-N 3.31Å; L83-A86 PolarHBondContact O-N 2.78Å; A86-M88 VanDerWaalsContact C-N 3.32Å; A86-D89 PolarHBondContact O-N 2.94Å; A86-C90 WeakPolarHBondContact O-CA 3.29Å; A86-C90 WeakPolarHBondContact O-CB 3.45Å; A86-C90 PolarHBondContact O-N 3.11Å; A86-C90 PolarHBondContact O-SG 2.97Å |
| 87 | V | 96.1 | Very high | 93.9 | Very high | 41 Ų | 41 | 91.6 Ų | 91.6 | 25% | 0.248 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -65.9 | -36.7 | 175.7 | 168.7 | 0 | 0 | 0 | 0 | 111.3 | L83 L84 E85 G91 F92 W95 | L83-V87 HydrophobicContact CD1-CG2 4.25Å; L83-V87 WeakPolarHBondContact O-CB 3.42Å; L83-V87 VanDerWaalsContact O-CG2 3.28Å; L83-V87 WeakPolarHBondContact O-CG2 3.41Å; L83-V87 PolarHBondContact O-N 2.95Å; L84-V87 PolarHBondContact O-N 2.93Å; E85-V87 VanDerWaalsContact C-N 3.35Å; E85-V87 PolarHBondContact O-N 2.84Å; V87-G91 CarbonylContact O-C 3.44Å; V87-G91 WeakPolarHBondContact O-CA 3.21Å; V87-G91 PolarHBondContact O-N 3.35Å; V87-F92 HydrophobicContact CG1-CB 4.24Å; V87-F92 HydrophobicContact CG1-CD2 4.45Å; V87-W95 HydrophobicContact CG2-CH2 4.39Å; V87-W95 HydrophobicContact CG2-CZ3 4.34Å |
| 88 | M | 93.4 | Very high | 93.8 | Very high | 156 Ų | 156 | 95.7 Ų | 95.7 | 77% | 0.768 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.7 | -43 | 176.8 | -166.8 | -179.2 | -45.8 | 0 | 0 | 111.6 | L84 E85 A86 | L84-M88 WeakPolarHBondContact O-CB 3.38Å; L84-M88 PolarHBondContact O-N 3.45Å; E85-M88 WeakPolarHBondContact O-CB 3.13Å; E85-M88 PolarHBondContact O-N 2.8Å; E85-M88 VanDerWaalsContact O-N 3.11Å; A86-M88 VanDerWaalsContact C-N 3.32Å |
| 89 | D | 93.8 | Very high | 93.7 | Very high | 139 Ų | 139 | 93.9 Ų | 93.9 | 74% | 0.743 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -78.8 | -40.4 | -177.6 | -72.2 | -15.8 | 0 | 0 | 0 | 113 | E85 A86 | E85-D89 PolarHBondContact O-N 3.45Å; A86-D89 PolarHBondContact O-N 2.94Å |
| 90 | C | 94.9 | Very high | 93.5 | Very high | 76 Ų | 76 | 94.2 Ų | 94.2 | 51% | 0.514 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -105.1 | -12.7 | -169.1 | -55.5 | 0 | 0 | 0 | 0 | 113.9 | A86 N94 | A86-C90 WeakPolarHBondContact O-CA 3.29Å; A86-C90 WeakPolarHBondContact O-CB 3.45Å; A86-C90 PolarHBondContact O-N 3.11Å; A86-C90 PolarHBondContact O-SG 2.97Å; C90-N94 PolarHBondContact O-ND2 3.48Å |
| 91 | G | 94.3 | Very high | 93.3 | Very high | 36 Ų | 36 | 98.3 Ų | 98.3 | 37% | 0.371 | 53% | 0.532 | S | S | . | . | trans | 85.2 | 147.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | V87 G93 N94 | V87-G91 CarbonylContact O-C 3.44Å; V87-G91 WeakPolarHBondContact O-CA 3.21Å; V87-G91 PolarHBondContact O-N 3.35Å; G91-G93 PolarHBondContact O-N 3.43Å; G91-N94 PolarHBondContact O-N 3.47Å | ||
| 92 | F | 93.8 | Very high | 93.2 | Very high | 175 Ų | 175 | 98.2 Ų | 98.2 | 77% | 0.768 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | 132.6 | 178.1 | -176.9 | -96.1 | 0 | 0 | 0 | 111.9 | V87 W95 | V87-F92 HydrophobicContact CG1-CB 4.24Å; V87-F92 HydrophobicContact CG1-CD2 4.45Å; F92-W95 HydrophobicContact CD2-CZ2 4.41Å; F92-W95 HydrophobicContact CE2-CH2 4.33Å; F92-W95 HydrophobicContact CE2-CZ2 4.01Å; F92-W95 HydrophobicContact CZ-CZ2 4.4Å |
| 93 | G | 92.4 | Very high | 93.2 | Very high | 46 Ų | 46 | 101.8 Ų | 101.8 | 47% | 0.474 | 54% | 0.544 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.2 | -0.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | G91 W95 | G91-G93 PolarHBondContact O-N 3.43Å; G93-W95 PolarHBondContact O-N 3.24Å |
| 94 | N | 90.4 | Very high | 93.1 | Very high | 113 Ų | 113 | 105.1 Ų | 105.1 | 60% | 0.604 | 56% | 0.562 | S | S | * | * | trans | -92.4 | 71.8 | 173.7 | -169.4 | 13.9 | 0 | 0 | 0 | 110.4 | C90 G91 | C90-N94 PolarHBondContact O-ND2 3.48Å; G91-N94 PolarHBondContact O-N 3.47Å | ||
| 95 | W | 85 | Confident | 92.9 | Very high | 232 Ų | 232 | 105 Ų | 105 | 88% | 0.879 | 56% | 0.563 | S | S | * | * | trans | -85.9 | 0 | -176.1 | -54.9 | 122.7 | 0 | 0 | 0 | 113.6 | L83 V87 F92 G93 | L83-W95 HydrophobicContact CD1-CH2 4.46Å; L83-W95 HydrophobicContact CD1-CZ3 3.77Å; V87-W95 HydrophobicContact CG2-CH2 4.39Å; V87-W95 HydrophobicContact CG2-CZ3 4.34Å; F92-W95 HydrophobicContact CD2-CZ2 4.41Å; F92-W95 HydrophobicContact CE2-CH2 4.33Å; F92-W95 HydrophobicContact CE2-CZ2 4.01Å; F92-W95 HydrophobicContact CZ-CZ2 4.4Å; G93-W95 PolarHBondContact O-N 3.24Å |
Retrieved 95 of 95 residues in 92.7 ms
(Link to these results)