| 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 | 56.6 | Low | 71.2 | Confident | 230 Ų | 230 | 95.3 Ų | 95.3 | 100% | 1.133 | 56% | 0.561 | S | S | * | * | 0 | 132.8 | 0 | -72.1 | 179.4 | -159.1 | 0 | 0 | 107 | |||||
| 2 | S | 58.3 | Low | 72.9 | Confident | 30 Ų | 30 | 87.9 Ų | 87.9 | 21% | 0.21 | 52% | 0.518 | C | S | . | . | trans | -65.4 | 138 | 174.1 | -179.4 | 0 | 0 | 0 | 0 | 109.6 | N4 E11 | S2-N4 PolarHBondContact O-N 2.9Å; S2-N4 PolarHBondContact OG-N 3.37Å; S2-N4 PolarHBondContact OG-O 3.32Å; S2-E11 WeakPolarHBondContact CB-OE1 3.37Å; S2-E11 VanDerWaalsContact CB-OE2 3.23Å; S2-E11 WeakPolarHBondContact CB-OE2 3.45Å; S2-E11 VanDerWaalsContact OG-CD 3.3Å; S2-E11 PolarHBondContact OG-OE1 2.87Å; S2-E11 PolarHBondContact OG-OE2 2.81Å | ||
| 3 | P | 68.8 | Low | 74.3 | Confident | 125 Ų | 125 | 88 Ų | 88 | 81% | 0.812 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -68.6 | -15.4 | 172.6 | 29.8 | -34.8 | 0 | 0 | 0 | 112.5 | ||
| 4 | N | 69.9 | Low | 75.6 | Confident | 70 Ų | 70 | 85.7 Ų | 85.7 | 37% | 0.374 | 50% | 0.502 | S | S | . | . | trans | -118.4 | 99.8 | -179.4 | -167.4 | 13.8 | 0 | 0 | 0 | 111.3 | S2 D6 T7 A8 | S2-N4 PolarHBondContact O-N 2.9Å; S2-N4 PolarHBondContact OG-N 3.37Å; S2-N4 PolarHBondContact OG-O 3.32Å; N4-D6 PolarHBondContact O-N 3.41Å; N4-T7 WeakPolarHBondContact CB-OG1 3.39Å; N4-T7 VanDerWaalsContact CG-OG1 3.28Å; N4-T7 PolarHBondContact ND2-OG1 2.7Å; N4-T7 PolarHBondContact O-N 3.42Å; N4-A8 PolarHBondContact O-N 2.97Å; N4-A8 VanDerWaalsContact O-N 3.12Å | ||
| 5 | P | 66.7 | Low | 76.8 | Confident | 105 Ų | 105 | 86.3 Ų | 86.3 | 68% | 0.682 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -23.1 | -176.6 | 25.6 | -32.7 | 0 | 0 | 0 | 113.4 | ||
| 6 | D | 69.7 | Low | 77.8 | Confident | 145 Ų | 145 | 89.4 Ų | 89.4 | 78% | 0.775 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -30.9 | -179.3 | -62.6 | -48.4 | 0 | 0 | 0 | 112.8 | N4 | N4-D6 PolarHBondContact O-N 3.41Š|
| 7 | T | 69.6 | Low | 78.6 | Confident | 49 Ų | 49 | 88.9 Ų | 88.9 | 30% | 0.301 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | -3.2 | 175.5 | 44.9 | 0 | 0 | 0 | 0 | 113.5 | N4 A9 E10 E11 | N4-T7 WeakPolarHBondContact CB-OG1 3.39Å; N4-T7 VanDerWaalsContact CG-OG1 3.28Å; N4-T7 PolarHBondContact ND2-OG1 2.7Å; N4-T7 PolarHBondContact O-N 3.42Å; T7-A9 PolarHBondContact O-N 3.42Å; T7-A9 VanDerWaalsContact O-N 3.08Å; T7-E10 PolarHBondContact O-N 3.04Å; T7-E11 PolarHBondContact O-N 3.32Å |
| 8 | A | 72.7 | Confident | 79.4 | Confident | 43 Ų | 43 | 87.7 Ų | 87.7 | 36% | 0.355 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -24.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | N4 E10 | N4-A8 PolarHBondContact O-N 2.97Å; N4-A8 VanDerWaalsContact O-N 3.12Å; A8-E10 VanDerWaalsContact C-N 3.31Å |
| 9 | A | 76.8 | Confident | 80.1 | Confident | 100 Ų | 100 | 85.8 Ų | 85.8 | 83% | 0.826 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -20.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | T7 | T7-A9 PolarHBondContact O-N 3.42Å; T7-A9 VanDerWaalsContact O-N 3.08Å |
| 10 | E | 84.4 | Confident | 80.8 | Confident | 112 Ų | 112 | 83 Ų | 83 | 52% | 0.523 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -15.2 | 179.3 | -54.7 | -173.4 | 155.3 | 0 | 0 | 112.1 | T7 A8 G41 Y42 | T7-E10 PolarHBondContact O-N 3.04Å; A8-E10 VanDerWaalsContact C-N 3.31Å; E10-G41 CarbonylContact O-C 3.57Å; E10-G41 WeakPolarHBondContact O-CA 3.29Å; E10-Y42 HydrophobicContact CB-CD2 3.88Å; E10-Y42 HydrophobicContact CB-CE2 4.22Å; E10-Y42 PolarHBondContact O-N 3.43Å |
| 11 | E | 89.2 | Confident | 81.4 | Confident | 39 Ų | 39 | 84.7 Ų | 84.7 | 18% | 0.182 | 50% | 0.503 | C | S | . | . | B | Isolated β-bridge | trans | -76.6 | 138.6 | 175.1 | -68.7 | 178 | -157.7 | 0 | 0 | 111.5 | S2 T7 P13 Y42 | S2-E11 WeakPolarHBondContact CB-OE1 3.37Å; S2-E11 VanDerWaalsContact CB-OE2 3.23Å; S2-E11 WeakPolarHBondContact CB-OE2 3.45Å; S2-E11 VanDerWaalsContact OG-CD 3.3Å; S2-E11 PolarHBondContact OG-OE1 2.87Å; S2-E11 PolarHBondContact OG-OE2 2.81Å; T7-E11 PolarHBondContact O-N 3.32Å; E11-P13 WeakPolarHBondContact O-CD 3.25Å; E11-Y42 CarbonylContact C-O 3.53Å; E11-Y42 WeakPolarHBondContact CA-O 3.42Å |
| 12 | L | 92.3 | Very high | 83.2 | Confident | 7 Ų | 7 | 76.7 Ų | 76.7 | 4% | 0.037 | 47% | 0.467 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 125.2 | 174.5 | -173.2 | 72.6 | 0 | 0 | 0 | 109.5 | F14 I20 L39 Y42 V43 | L12-F14 WeakPolarHBondContact O-CD1 3.4Å; L12-F14 WeakPolarHBondContact O-CE1 3.31Å; L12-I20 HydrophobicContact CD2-CG2 3.72Å; L12-L39 VanDerWaalsContact CD1-C 3.48Å; L12-L39 HydrophobicContact CD1-CB 3.68Å; L12-L39 VanDerWaalsContact CD1-O 3.24Å; L12-L39 WeakPolarHBondContact CD1-O 3.31Å; L12-Y42 PolarHBondContact N-O 3.4Å; L12-V43 HydrophobicContact CB-CG2 4.06Å; L12-V43 HydrophobicContact CD2-CG2 3.91Å |
| 13 | P | 90.8 | Very high | 84.7 | Confident | 89 Ų | 89 | 79.3 Ų | 79.3 | 58% | 0.578 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -76.2 | 129.9 | 172.9 | 29.5 | -32.8 | 0 | 0 | 0 | 110.8 | E11 L39 | E11-P13 WeakPolarHBondContact O-CD 3.25Å; P13-L39 HydrophobicContact CG-CD1 3.96Å |
| 14 | F | 92.8 | Very high | 85.8 | Confident | 56 Ų | 56 | 76.4 Ų | 76.4 | 25% | 0.246 | 47% | 0.467 | C | S | . | . | trans | -147.7 | 166 | 175.7 | 56 | -91.9 | 0 | 0 | 0 | 112.3 | L12 Q18 I20 V43 P44 M47 V48 | L12-F14 WeakPolarHBondContact O-CD1 3.4Å; L12-F14 WeakPolarHBondContact O-CE1 3.31Å; F14-Q18 HydrophobicContact CB-CB 4.49Å; F14-Q18 HydrophobicContact CB-CG 4.5Å; F14-I20 HydrophobicContact CB-CD1 3.83Å; F14-I20 HydrophobicContact CB-CG1 4.47Å; F14-I20 HydrophobicContact CD1-CD1 3.65Å; F14-I20 HydrophobicContact CD2-CD1 4.02Å; F14-I20 HydrophobicContact CE1-CD1 4.24Å; F14-I20 HydrophobicContact CG-CD1 3.56Å; F14-V43 HydrophobicContact CE1-CG1 4.02Å; F14-V43 HydrophobicContact CZ-CG1 4.31Å; F14-P44 HydrophobicContact CZ-CG 4.26Å; F14-M47 HydrophobicContact CE2-CB 4.05Å; F14-M47 HydrophobicContact CZ-CB 3.95Å; F14-M47 HydrophobicContact CZ-SD 4.37Å; F14-V48 HydrophobicContact CE2-CG1 4.21Å; F14-V48 HydrophobicContact CZ-CG1 4.25Å | ||
| 15 | V | 93.4 | Very high | 86.9 | Confident | 94 Ų | 94 | 80.4 Ų | 80.4 | 57% | 0.57 | 49% | 0.489 | S | S | * | . | trans | -118.4 | 160.3 | 177.9 | -60.2 | 0 | 0 | 0 | 0 | 111.7 | G17 Q18 | V15-G17 PolarHBondContact O-N 2.92Å; V15-Q18 HydrophobicContact CG2-CB 4.17Å; V15-Q18 WeakPolarHBondContact O-CB 3.41Å; V15-Q18 PolarHBondContact O-N 3.14Å; V15-Q18 VanDerWaalsContact O-N 3.12Å | ||
| 16 | P | 93.4 | Very high | 88.1 | Confident | 136 Ų | 136 | 80.4 Ų | 80.4 | 88% | 0.883 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 132.5 | 176.7 | -26.5 | 35.7 | 0 | 0 | 0 | 112.5 | Q18 | P16-Q18 VanDerWaalsContact C-N 3.32Š|
| 17 | G | 90.8 | Very high | 89.1 | Confident | 81 Ų | 81 | 76.2 Ų | 76.2 | 84% | 0.835 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.5 | -1.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | V15 | V15-G17 PolarHBondContact O-N 2.92Š|
| 18 | Q | 92.9 | Very high | 90.1 | Very high | 67 Ų | 67 | 79.5 Ų | 79.5 | 31% | 0.313 | 48% | 0.481 | S | S | . | . | trans | -71.8 | 132.4 | 174.3 | -175.4 | 171.7 | -10.8 | 0 | 0 | 111 | F14 V15 P16 S36 | F14-Q18 HydrophobicContact CB-CB 4.49Å; F14-Q18 HydrophobicContact CB-CG 4.5Å; V15-Q18 HydrophobicContact CG2-CB 4.17Å; V15-Q18 WeakPolarHBondContact O-CB 3.41Å; V15-Q18 PolarHBondContact O-N 3.14Å; V15-Q18 VanDerWaalsContact O-N 3.12Å; P16-Q18 VanDerWaalsContact C-N 3.32Å; Q18-S36 PolarHBondContact NE2-OG 3.22Å | ||
| 19 | I | 92.8 | Very high | 90.9 | Very high | 52 Ų | 52 | 83.6 Ų | 83.6 | 27% | 0.267 | 50% | 0.497 | S | S | . | . | trans | -81.2 | 130.1 | 172.3 | -53.8 | -56.6 | 0 | 0 | 0 | 109.1 | S36 V51 L62 F67 | I19-S36 PolarHBondContact O-OG 3.24Å; I19-S36 VanDerWaalsContact O-OG 3.06Å; I19-V51 HydrophobicContact CD1-CG2 4.36Å; I19-L62 HydrophobicContact CD1-CD2 4.41Å; I19-L62 HydrophobicContact CG1-CD2 4.28Å; I19-L62 HydrophobicContact CG2-CD2 4.42Å; I19-F67 HydrophobicContact CB-CD1 4.06Å; I19-F67 HydrophobicContact CB-CD2 4.26Å; I19-F67 HydrophobicContact CB-CE1 3.82Å; I19-F67 HydrophobicContact CB-CE2 4.04Å; I19-F67 HydrophobicContact CB-CG 4.28Å; I19-F67 HydrophobicContact CB-CZ 3.82Å; I19-F67 HydrophobicContact CG1-CD2 4.32Å; I19-F67 HydrophobicContact CG1-CE2 4.07Å; I19-F67 HydrophobicContact CG1-CZ 4.29Å; I19-F67 HydrophobicContact CG2-CB 4.28Å; I19-F67 HydrophobicContact CG2-CD1 3.65Å; I19-F67 HydrophobicContact CG2-CD2 4.15Å; I19-F67 HydrophobicContact CG2-CE1 3.96Å; I19-F67 HydrophobicContact CG2-CE2 4.41Å; I19-F67 HydrophobicContact CG2-CG 3.77Å; I19-F67 HydrophobicContact CG2-CZ 4.33Å | ||
| 20 | I | 94.4 | Very high | 91.6 | Very high | 29 Ų | 29 | 79.4 Ų | 79.4 | 15% | 0.149 | 46% | 0.464 | C | S | . | . | trans | -121.3 | 129.2 | -179.9 | -55.9 | 170.9 | 0 | 0 | 0 | 107.4 | L12 F14 V22 V43 V48 | L12-I20 HydrophobicContact CD2-CG2 3.72Å; F14-I20 HydrophobicContact CB-CD1 3.83Å; F14-I20 HydrophobicContact CB-CG1 4.47Å; F14-I20 HydrophobicContact CD1-CD1 3.65Å; F14-I20 HydrophobicContact CD2-CD1 4.02Å; F14-I20 HydrophobicContact CE1-CD1 4.24Å; F14-I20 HydrophobicContact CG-CD1 3.56Å; I20-V22 PolarHBondContact O-N 2.93Å; I20-V43 HydrophobicContact CD1-CG1 4.09Å; I20-V43 HydrophobicContact CD1-CG2 4.49Å; I20-V43 HydrophobicContact CG2-CG2 4Å; I20-V48 HydrophobicContact CD1-CG1 4.21Å | ||
| 21 | K | 93.2 | Very high | 92 | Very high | 119 Ų | 119 | 77 Ų | 77 | 52% | 0.517 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 115.1 | 173.8 | -176.8 | 175.8 | -179.3 | 179.5 | 0 | 108.5 | F23 G34 E35 | K21-F23 HydrophobicContact CD-CE1 4.14Å; K21-F23 HydrophobicContact CD-CZ 3.89Å; K21-F23 HydrophobicContact CG-CE1 4.37Å; K21-F23 HydrophobicContact CG-CE2 4.43Å; K21-F23 HydrophobicContact CG-CZ 4.09Å; K21-G34 CarbonylContact O-C 3.59Å; K21-G34 WeakPolarHBondContact O-CA 3.49Å; K21-E35 PolarHBondContact N-O 2.88Å; K21-E35 PolarHBondContact O-N 3.32Å |
| 22 | V | 94.1 | Very high | 92.3 | Very high | 62 Ų | 62 | 77 Ų | 77 | 38% | 0.376 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 142.2 | 177.4 | 171.3 | 0 | 0 | 0 | 0 | 110.2 | I20 Y32 | I20-V22 PolarHBondContact O-N 2.93Å; V22-Y32 HydrophobicContact CG1-CD1 3.65Å; V22-Y32 HydrophobicContact CG1-CG 3.97Å; V22-Y32 HydrophobicContact CG2-CG 4.38Å |
| 23 | F | 91.1 | Very high | 92.4 | Very high | 86 Ų | 86 | 81 Ų | 81 | 38% | 0.377 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 117 | 176 | -56.1 | -87.5 | 0 | 0 | 0 | 110.1 | K21 H33 E35 | K21-F23 HydrophobicContact CD-CE1 4.14Å; K21-F23 HydrophobicContact CD-CZ 3.89Å; K21-F23 HydrophobicContact CG-CE1 4.37Å; K21-F23 HydrophobicContact CG-CE2 4.43Å; K21-F23 HydrophobicContact CG-CZ 4.09Å; F23-H33 PolarHBondContact N-O 3.02Å; F23-E35 HydrophobicContact CE2-CB 3.63Å; F23-E35 HydrophobicContact CZ-CB 4.15Å |
| 24 | G | 90.1 | Very high | 92.6 | Very high | 63 Ų | 63 | 76.8 Ų | 76.8 | 65% | 0.649 | 44% | 0.441 | S | S | * | . | S | Bend | trans | 73.4 | -166.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 25 | D | 92.9 | Very high | 92.7 | Very high | 154 Ų | 154 | 77.9 Ų | 77.9 | 82% | 0.824 | 45% | 0.447 | S | S | * | . | trans | -89.9 | 168.2 | -178 | -64.8 | -50.5 | 0 | 0 | 0 | 112.2 | ||||
| 26 | K | 92.1 | Very high | 92.6 | Very high | 105 Ų | 105 | 74.3 Ų | 74.3 | 46% | 0.457 | 43% | 0.426 | S | S | . | . | trans | -61.8 | 137.1 | 171.1 | -163.9 | 179.3 | 69.5 | 174.1 | 0 | 110.7 | F31 Y32 | K26-F31 CarbonylContact C-O 3.6Å; K26-F31 WeakPolarHBondContact CA-O 3.38Å; K26-Y32 HydrophobicContact CB-CD1 3.93Å; K26-Y32 HydrophobicContact CB-CE1 3.53Å; K26-Y32 HydrophobicContact CD-CE2 4.46Å; K26-Y32 HydrophobicContact CG-CD1 4.44Å; K26-Y32 HydrophobicContact CG-CE1 4.22Å; K26-Y32 HydrophobicContact CG-CE2 4.46Å | ||
| 27 | D | 91.6 | Very high | 92.3 | Very high | 58 Ų | 58 | 71.6 Ų | 71.6 | 31% | 0.31 | 42% | 0.423 | S | S | . | . | trans | -75.4 | -178.8 | 174.5 | 68.1 | 23.3 | 0 | 0 | 0 | 113.3 | D29 G30 F31 | D27-D29 PolarHBondContact O-N 3.01Å; D27-D29 WeakPolarHBondContact OD1-CA 3.41Å; D27-D29 PolarHBondContact OD1-N 3.44Å; D27-G30 PolarHBondContact O-N 3.25Å; D27-G30 PolarHBondContact OD1-N 3.44Å; D27-F31 PolarHBondContact N-O 3.3Å; D27-F31 PolarHBondContact OD1-N 3.24Å | ||
| 28 | S | 91.6 | Very high | 92.2 | Very high | 118 Ų | 118 | 71 Ų | 71 | 83% | 0.825 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -26.2 | 179 | 44.6 | 0 | 0 | 0 | 0 | 114 | ||
| 29 | D | 88.1 | Confident | 92.2 | Very high | 128 Ų | 128 | 72.5 Ų | 72.5 | 68% | 0.684 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -8.1 | -175.5 | -62.3 | -62.9 | 0 | 0 | 0 | 112 | D27 F31 | D27-D29 PolarHBondContact O-N 3.01Å; D27-D29 WeakPolarHBondContact OD1-CA 3.41Å; D27-D29 PolarHBondContact OD1-N 3.44Å; D29-F31 HydrophobicContact CB-CD2 3.93Å; D29-F31 HydrophobicContact CB-CE2 4.19Å |
| 30 | G | 91.3 | Very high | 92.2 | Very high | 13 Ų | 13 | 73.5 Ų | 73.5 | 13% | 0.134 | 44% | 0.438 | C | S | . | . | S | Bend | trans | 95.3 | 22.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | D27 S45 | D27-G30 PolarHBondContact O-N 3.25Å; D27-G30 PolarHBondContact OD1-N 3.44Å; G30-S45 WeakPolarHBondContact O-CB 3.35Å; G30-S45 PolarHBondContact O-N 2.94Å; G30-S45 PolarHBondContact O-OG 2.98Å; G30-S45 VanDerWaalsContact O-OG 3.07Å |
| 31 | F | 93.2 | Very high | 92.1 | Very high | 60 Ų | 60 | 72.4 Ų | 72.4 | 26% | 0.263 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 149.1 | 177.9 | -63.1 | -98.3 | 0 | 0 | 0 | 111.4 | K26 D27 D29 Y42 V43 P44 | K26-F31 CarbonylContact C-O 3.6Å; K26-F31 WeakPolarHBondContact CA-O 3.38Å; D27-F31 PolarHBondContact N-O 3.3Å; D27-F31 PolarHBondContact OD1-N 3.24Å; D29-F31 HydrophobicContact CB-CD2 3.93Å; D29-F31 HydrophobicContact CB-CE2 4.19Å; F31-Y42 HydrophobicContact CB-CD1 4.06Å; F31-V43 WeakPolarHBondContact CA-O 3.16Å; F31-P44 HydrophobicContact CD1-CB 4.02Å; F31-P44 HydrophobicContact CE1-CB 3.8Å |
| 32 | Y | 95.1 | Very high | 92.2 | Very high | 40 Ų | 40 | 71.3 Ų | 71.3 | 16% | 0.157 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 154.1 | 165.9 | -62.4 | -78.1 | 0 | 0 | 0 | 109.6 | V22 K26 Y42 V43 V48 | V22-Y32 HydrophobicContact CG1-CD1 3.65Å; V22-Y32 HydrophobicContact CG1-CG 3.97Å; V22-Y32 HydrophobicContact CG2-CG 4.38Å; K26-Y32 HydrophobicContact CB-CD1 3.93Å; K26-Y32 HydrophobicContact CB-CE1 3.53Å; K26-Y32 HydrophobicContact CD-CE2 4.46Å; K26-Y32 HydrophobicContact CG-CD1 4.44Å; K26-Y32 HydrophobicContact CG-CE1 4.22Å; K26-Y32 HydrophobicContact CG-CE2 4.46Å; Y32-Y42 CarbonylContact O-C 3.47Å; Y32-Y42 WeakPolarHBondContact O-CA 3.45Å; Y32-V43 PolarHBondContact N-O 3.47Å; Y32-V43 PolarHBondContact O-N 2.84Å; Y32-V48 HydrophobicContact CD2-CG2 4.21Å; Y32-V48 HydrophobicContact CE2-CG2 4.17Å |
| 33 | H | 95 | Very high | 92.2 | Very high | 91 Ų | 91 | 68.4 Ų | 68.4 | 42% | 0.421 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 122 | 164.6 | -164.1 | -109.3 | 0 | 0 | 0 | 109 | F23 | F23-H33 PolarHBondContact N-O 3.02Å |
| 34 | G | 95.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 162.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | K21 S40 G41 | K21-G34 CarbonylContact O-C 3.59Å; K21-G34 WeakPolarHBondContact O-CA 3.49Å; G34-S40 VanDerWaalsContact O-CA 3.27Å; G34-S40 WeakPolarHBondContact O-CA 3.14Å; G34-G41 PolarHBondContact N-O 2.99Å; G34-G41 PolarHBondContact O-N 3.26Å |
| 35 | E | 94.4 | Very high | 92.4 | Very high | 80 Ų | 80 | 63.5 Ų | 63.5 | 37% | 0.374 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 138.2 | 174.5 | -176.8 | -170.7 | 111.1 | 0 | 0 | 110.9 | K21 F23 L39 | K21-E35 PolarHBondContact N-O 2.88Å; K21-E35 PolarHBondContact O-N 3.32Å; F23-E35 HydrophobicContact CE2-CB 3.63Å; F23-E35 HydrophobicContact CZ-CB 4.15Å; E35-L39 CarbonylContact C-O 3.57Å; E35-L39 WeakPolarHBondContact CA-O 3.37Å; E35-L39 VanDerWaalsContact CG-O 3.29Å; E35-L39 WeakPolarHBondContact CG-O 3.43Å |
| 36 | S | 91.9 | Very high | 92.3 | Very high | 18 Ų | 18 | 62.4 Ų | 62.4 | 13% | 0.126 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 139.9 | 170.6 | -163.6 | 0 | 0 | 0 | 0 | 110.4 | Q18 I19 G38 L39 | Q18-S36 PolarHBondContact NE2-OG 3.22Å; I19-S36 PolarHBondContact O-OG 3.24Å; I19-S36 VanDerWaalsContact O-OG 3.06Å; S36-G38 PolarHBondContact O-N 3Å; S36-G38 VanDerWaalsContact O-N 3.16Å; S36-L39 PolarHBondContact N-O 3.03Å; S36-L39 PolarHBondContact O-N 3.31Å |
| 37 | G | 87.3 | Confident | 92.3 | Very high | 80 Ų | 80 | 62.6 Ų | 62.6 | 83% | 0.825 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | 25.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | L39 | G37-L39 VanDerWaalsContact C-N 3.29Å; G37-L39 PolarHBondContact O-N 3.5Å |
| 38 | G | 88.4 | Confident | 92.4 | Very high | 68 Ų | 68 | 62.1 Ų | 62.1 | 70% | 0.701 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | 6.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | S36 | S36-G38 PolarHBondContact O-N 3Å; S36-G38 VanDerWaalsContact O-N 3.16Å |
| 39 | L | 92.4 | Very high | 92.5 | Very high | 99 Ų | 99 | 60.8 Ų | 60.8 | 52% | 0.518 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 146.2 | 170.8 | -62.2 | 176.5 | 0 | 0 | 0 | 109.6 | L12 P13 E35 S36 G37 | L12-L39 VanDerWaalsContact CD1-C 3.48Å; L12-L39 HydrophobicContact CD1-CB 3.68Å; L12-L39 VanDerWaalsContact CD1-O 3.24Å; L12-L39 WeakPolarHBondContact CD1-O 3.31Å; P13-L39 HydrophobicContact CG-CD1 3.96Å; E35-L39 CarbonylContact C-O 3.57Å; E35-L39 WeakPolarHBondContact CA-O 3.37Å; E35-L39 VanDerWaalsContact CG-O 3.29Å; E35-L39 WeakPolarHBondContact CG-O 3.43Å; S36-L39 PolarHBondContact N-O 3.03Å; S36-L39 PolarHBondContact O-N 3.31Å; G37-L39 VanDerWaalsContact C-N 3.29Å; G37-L39 PolarHBondContact O-N 3.5Å |
| 40 | S | 92.8 | Very high | 92.6 | Very high | 72 Ų | 72 | 62.6 Ų | 62.6 | 50% | 0.503 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 145.7 | 175.2 | -47.4 | 0 | 0 | 0 | 0 | 109.8 | G34 | G34-S40 VanDerWaalsContact O-CA 3.27Å; G34-S40 WeakPolarHBondContact O-CA 3.14Å |
| 41 | G | 93.6 | Very high | 92.4 | Very high | 6 Ų | 6 | 64.9 Ų | 64.9 | 6% | 0.062 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.7 | -173.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E10 G34 | E10-G41 CarbonylContact O-C 3.57Å; E10-G41 WeakPolarHBondContact O-CA 3.29Å; G34-G41 PolarHBondContact N-O 2.99Å; G34-G41 PolarHBondContact O-N 3.26Å |
| 42 | Y | 93.9 | Very high | 91.9 | Very high | 96 Ų | 96 | 65.8 Ų | 65.8 | 38% | 0.376 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 138.8 | 178.2 | -67.7 | -71.7 | 0 | 0 | 0 | 112.2 | E10 E11 L12 F31 Y32 | E10-Y42 HydrophobicContact CB-CD2 3.88Å; E10-Y42 HydrophobicContact CB-CE2 4.22Å; E10-Y42 PolarHBondContact O-N 3.43Å; E11-Y42 CarbonylContact C-O 3.53Å; E11-Y42 WeakPolarHBondContact CA-O 3.42Å; L12-Y42 PolarHBondContact N-O 3.4Å; F31-Y42 HydrophobicContact CB-CD1 4.06Å; Y32-Y42 CarbonylContact O-C 3.47Å; Y32-Y42 WeakPolarHBondContact O-CA 3.45Å |
| 43 | V | 94.1 | Very high | 91 | Very high | 1 Ų | 1 | 66.9 Ų | 66.9 | 1% | 0.006 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 116 | -179.7 | -177.7 | 0 | 0 | 0 | 0 | 108.1 | L12 F14 I20 F31 Y32 S45 V48 | L12-V43 HydrophobicContact CB-CG2 4.06Å; L12-V43 HydrophobicContact CD2-CG2 3.91Å; F14-V43 HydrophobicContact CE1-CG1 4.02Å; F14-V43 HydrophobicContact CZ-CG1 4.31Å; I20-V43 HydrophobicContact CD1-CG1 4.09Å; I20-V43 HydrophobicContact CD1-CG2 4.49Å; I20-V43 HydrophobicContact CG2-CG2 4Å; F31-V43 WeakPolarHBondContact CA-O 3.16Å; Y32-V43 PolarHBondContact N-O 3.47Å; Y32-V43 PolarHBondContact O-N 2.84Å; V43-S45 PolarHBondContact O-N 2.85Å; V43-V48 HydrophobicContact CG1-CB 4.47Å; V43-V48 HydrophobicContact CG1-CG1 3.56Å; V43-V48 HydrophobicContact CG1-CG2 4.09Å |
| 44 | P | 92.8 | Very high | 90.3 | Very high | 11 Ų | 11 | 69.4 Ų | 69.4 | 7% | 0.071 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 124.8 | -177.4 | 30.3 | -35 | 0 | 0 | 0 | 110.4 | F14 F31 N46 M47 | F14-P44 HydrophobicContact CZ-CG 4.26Å; F31-P44 HydrophobicContact CD1-CB 4.02Å; F31-P44 HydrophobicContact CE1-CB 3.8Å; P44-N46 WeakPolarHBondContact CB-OD1 3.39Å; P44-N46 PolarHBondContact O-N 2.93Å; P44-M47 HydrophobicContact CG-CB 4.16Å; P44-M47 HydrophobicContact CG-CE 4.4Å; P44-M47 HydrophobicContact CG-CG 3.91Å; P44-M47 HydrophobicContact CG-SD 3.86Å; P44-M47 PolarHBondContact O-N 3.35Å; P44-M47 VanDerWaalsContact O-N 3.08Å |
| 45 | S | 92.5 | Very high | 89.8 | Confident | 36 Ų | 36 | 73.4 Ų | 73.4 | 25% | 0.252 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -20.2 | -171.8 | 74.8 | 0 | 0 | 0 | 0 | 114.1 | G30 V43 M47 | G30-S45 WeakPolarHBondContact O-CB 3.35Å; G30-S45 PolarHBondContact O-N 2.94Å; G30-S45 PolarHBondContact O-OG 2.98Å; G30-S45 VanDerWaalsContact O-OG 3.07Å; V43-S45 PolarHBondContact O-N 2.85Å; S45-M47 VanDerWaalsContact C-N 3.31Å |
| 46 | N | 92.1 | Very high | 89.4 | Confident | 131 Ų | 131 | 74.5 Ų | 74.5 | 70% | 0.701 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -10.8 | 179.7 | 64.9 | -14.1 | 0 | 0 | 0 | 113.8 | P44 | P44-N46 WeakPolarHBondContact CB-OD1 3.39Å; P44-N46 PolarHBondContact O-N 2.93Å |
| 47 | M | 91.8 | Very high | 89.2 | Confident | 108 Ų | 108 | 82 Ų | 82 | 53% | 0.532 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -105.5 | -2.4 | 179.2 | -60.2 | -167.2 | -174.7 | 0 | 0 | 113.3 | F14 P44 S45 | F14-M47 HydrophobicContact CE2-CB 4.05Å; F14-M47 HydrophobicContact CZ-CB 3.95Å; F14-M47 HydrophobicContact CZ-SD 4.37Å; P44-M47 HydrophobicContact CG-CB 4.16Å; P44-M47 HydrophobicContact CG-CE 4.4Å; P44-M47 HydrophobicContact CG-CG 3.91Å; P44-M47 HydrophobicContact CG-SD 3.86Å; P44-M47 PolarHBondContact O-N 3.35Å; P44-M47 VanDerWaalsContact O-N 3.08Å; S45-M47 VanDerWaalsContact C-N 3.31Å |
| 48 | V | 93 | Very high | 89.1 | Confident | 49 Ų | 49 | 81.1 Ų | 81.1 | 30% | 0.297 | 45% | 0.453 | S | S | . | . | trans | -128 | 161.1 | -176.4 | -63.2 | 0 | 0 | 0 | 0 | 110.9 | F14 I20 Y32 V43 | F14-V48 HydrophobicContact CE2-CG1 4.21Å; F14-V48 HydrophobicContact CZ-CG1 4.25Å; I20-V48 HydrophobicContact CD1-CG1 4.21Å; Y32-V48 HydrophobicContact CD2-CG2 4.21Å; Y32-V48 HydrophobicContact CE2-CG2 4.17Å; V43-V48 HydrophobicContact CG1-CB 4.47Å; V43-V48 HydrophobicContact CG1-CG1 3.56Å; V43-V48 HydrophobicContact CG1-CG2 4.09Å | ||
| 49 | A | 93.3 | Very high | 89.1 | Confident | 90 Ų | 90 | 81 Ų | 81 | 74% | 0.744 | 43% | 0.433 | S | S | * | . | trans | -132.5 | 144.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 50 | E | 90.4 | Very high | 88.8 | Confident | 166 Ų | 166 | 81.3 Ų | 81.3 | 78% | 0.776 | 43% | 0.432 | S | S | * | . | trans | -64.2 | 138.3 | 171.9 | -70.8 | 177.2 | -149.9 | 0 | 0 | 109.9 | P52 | E50-P52 WeakPolarHBondContact O-CD 3.27Š| ||
| 51 | V | 87.5 | Confident | 88.6 | Confident | 61 Ų | 61 | 79.8 Ų | 79.8 | 37% | 0.37 | 42% | 0.419 | S | S | . | . | trans | -89.1 | 115.8 | 178.2 | -177.9 | 0 | 0 | 0 | 0 | 107.8 | I19 V53 L58 L62 | I19-V51 HydrophobicContact CD1-CG2 4.36Å; V51-V53 PolarHBondContact O-N 2.85Å; V51-L58 HydrophobicContact CG1-CD2 3.36Å; V51-L58 HydrophobicContact CG1-CG 4.43Å; V51-L62 HydrophobicContact CG1-CD1 3.86Å | ||
| 52 | P | 81.8 | Confident | 88.4 | Confident | 78 Ų | 78 | 80.2 Ų | 80.2 | 51% | 0.506 | 42% | 0.42 | S | S | . | . | trans | -69.7 | 107 | -178.6 | 27.8 | -32.8 | 0 | 0 | 0 | 109.3 | E50 D54 | E50-P52 WeakPolarHBondContact O-CD 3.27Å; P52-D54 PolarHBondContact O-N 3.35Å | ||
| 53 | V | 76.3 | Confident | 88.1 | Confident | 63 Ų | 63 | 77.8 Ų | 77.8 | 38% | 0.382 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 0.9 | 177.4 | -66.2 | 0 | 0 | 0 | 0 | 113.1 | V51 D55 L62 L68 | V51-V53 PolarHBondContact O-N 2.85Å; V53-D55 PolarHBondContact O-N 2.85Å; V53-L62 HydrophobicContact CG1-CD1 4.29Å; V53-L68 HydrophobicContact CG1-CD1 4.02Å |
| 54 | D | 80.7 | Confident | 87.8 | Confident | 145 Ų | 145 | 86 Ų | 86 | 78% | 0.775 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -23.6 | 175.4 | -38.6 | -27.1 | 0 | 0 | 0 | 111.4 | P52 E56 | P52-D54 PolarHBondContact O-N 3.35Å; D54-E56 PolarHBondContact O-N 2.95Å |
| 55 | D | 85.5 | Confident | 87.5 | Confident | 83 Ų | 83 | 91.2 Ų | 91.2 | 44% | 0.444 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -77 | 108.1 | 170.6 | -173.1 | -57.1 | 0 | 0 | 0 | 109.1 | V53 Y57 L58 K59 | V53-D55 PolarHBondContact O-N 2.85Å; D55-Y57 PolarHBondContact O-N 2.88Å; D55-Y57 WeakPolarHBondContact OD1-CA 3.24Å; D55-Y57 VanDerWaalsContact OD1-CB 3.25Å; D55-Y57 WeakPolarHBondContact OD1-CB 3.41Å; D55-Y57 PolarHBondContact OD1-N 2.87Å; D55-L58 HydrophobicContact CB-CB 3.94Å; D55-L58 PolarHBondContact O-N 2.85Å; D55-L58 VanDerWaalsContact O-N 3.14Å; D55-L58 PolarHBondContact OD1-N 2.77Å; D55-K59 WeakPolarHBondContact O-CB 3.21Å; D55-K59 PolarHBondContact O-N 3.38Å |
| 56 | E | 85.1 | Confident | 87.1 | Confident | 104 Ų | 104 | 92.4 Ų | 92.4 | 49% | 0.486 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.4 | -33.5 | -178.9 | -77.7 | -71.8 | 120.7 | 0 | 0 | 112.5 | D54 K59 H60 | D54-E56 PolarHBondContact O-N 2.95Å; E56-K59 WeakPolarHBondContact OE1-CD 3.37Å; E56-K59 IonicContact OE1-NZ 2.9Å; E56-K59 PolarHBondContact OE1-NZ 3.07Å; E56-H60 WeakPolarHBondContact O-CB 3.36Å; E56-H60 PolarHBondContact O-N 3.04Å; E56-H60 PolarHBondContact O-ND1 3.05Å; E56-H60 IonicContact OE2-CE1 3.6Å |
| 57 | Y | 87.3 | Confident | 86.9 | Confident | 174 Ų | 174 | 90.3 Ų | 90.3 | 68% | 0.682 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -66.7 | -47.7 | 176.2 | 170.1 | -97.6 | 0 | 0 | 0 | 110.8 | D55 K59 H60 V61 | D55-Y57 PolarHBondContact O-N 2.88Å; D55-Y57 WeakPolarHBondContact OD1-CA 3.24Å; D55-Y57 VanDerWaalsContact OD1-CB 3.25Å; D55-Y57 WeakPolarHBondContact OD1-CB 3.41Å; D55-Y57 PolarHBondContact OD1-N 2.87Å; Y57-K59 VanDerWaalsContact C-N 3.33Å; Y57-K59 PolarHBondContact O-N 3.05Å; Y57-H60 PolarHBondContact O-N 3.08Å; Y57-V61 HydrophobicContact CD1-CG2 4.49Å; Y57-V61 HydrophobicContact CE1-CG2 4.06Å; Y57-V61 HydrophobicContact CE2-CG2 4.18Å; Y57-V61 WeakPolarHBondContact O-CG2 3.44Å; Y57-V61 PolarHBondContact O-N 2.99Å |
| 58 | L | 86.6 | Confident | 86.6 | Confident | 62 Ų | 62 | 87.6 Ų | 87.6 | 33% | 0.325 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.8 | -42.4 | -180 | -147.2 | 81.2 | 0 | 0 | 0 | 111.5 | V51 D55 V61 L62 | V51-L58 HydrophobicContact CG1-CD2 3.36Å; V51-L58 HydrophobicContact CG1-CG 4.43Å; D55-L58 HydrophobicContact CB-CB 3.94Å; D55-L58 PolarHBondContact O-N 2.85Å; D55-L58 VanDerWaalsContact O-N 3.14Å; D55-L58 PolarHBondContact OD1-N 2.77Å; L58-V61 PolarHBondContact O-N 3.06Å; L58-L62 VanDerWaalsContact O-CG 3.31Å; L58-L62 WeakPolarHBondContact O-CG 3.06Å; L58-L62 PolarHBondContact O-N 2.95Å |
| 59 | K | 86.8 | Confident | 86 | Confident | 65 Ų | 65 | 90.1 Ų | 90.1 | 28% | 0.283 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.5 | -46.8 | 174 | -180 | -177.1 | 171.9 | -171.6 | 0 | 112 | D55 E56 Y57 V61 L62 M63 L68 | D55-K59 WeakPolarHBondContact O-CB 3.21Å; D55-K59 PolarHBondContact O-N 3.38Å; E56-K59 WeakPolarHBondContact OE1-CD 3.37Å; E56-K59 IonicContact OE1-NZ 2.9Å; E56-K59 PolarHBondContact OE1-NZ 3.07Å; Y57-K59 VanDerWaalsContact C-N 3.33Å; Y57-K59 PolarHBondContact O-N 3.05Å; K59-V61 VanDerWaalsContact C-N 3.33Å; K59-V61 PolarHBondContact O-N 3.49Å; K59-L62 PolarHBondContact O-N 3.16Å; K59-M63 HydrophobicContact CD-CE 4.28Å; K59-M63 HydrophobicContact CG-CE 3.83Å; K59-M63 HydrophobicContact CG-SD 4.31Å; K59-M63 VanDerWaalsContact O-CG 3.31Å; K59-M63 WeakPolarHBondContact O-CG 3.2Å; K59-M63 PolarHBondContact O-N 2.84Å; K59-L68 HydrophobicContact CG-CD1 4.12Å |
| 60 | H | 87.4 | Confident | 85.2 | Confident | 106 Ų | 106 | 89.6 Ų | 89.6 | 49% | 0.491 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.8 | -41.7 | 176.3 | -81.7 | 82.3 | 0 | 0 | 0 | 111.9 | E56 Y57 M63 Q64 | E56-H60 WeakPolarHBondContact O-CB 3.36Å; E56-H60 PolarHBondContact O-N 3.04Å; E56-H60 PolarHBondContact O-ND1 3.05Å; E56-H60 IonicContact OE2-CE1 3.6Å; Y57-H60 PolarHBondContact O-N 3.08Å; H60-M63 PolarHBondContact O-N 2.82Å; H60-Q64 WeakPolarHBondContact O-CG 3.42Å; H60-Q64 PolarHBondContact O-N 3.35Å |
| 61 | V | 88.3 | Confident | 84.1 | Confident | 41 Ų | 41 | 88.9 Ų | 88.9 | 25% | 0.248 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -61.9 | -47 | 176.5 | 171.6 | 0 | 0 | 0 | 0 | 111 | Y57 L58 K59 M63 Q64 Q65 | Y57-V61 HydrophobicContact CD1-CG2 4.49Å; Y57-V61 HydrophobicContact CE1-CG2 4.06Å; Y57-V61 HydrophobicContact CE2-CG2 4.18Å; Y57-V61 WeakPolarHBondContact O-CG2 3.44Å; Y57-V61 PolarHBondContact O-N 2.99Å; L58-V61 PolarHBondContact O-N 3.06Å; K59-V61 VanDerWaalsContact C-N 3.33Å; K59-V61 PolarHBondContact O-N 3.49Å; V61-M63 VanDerWaalsContact C-N 3.33Å; V61-M63 PolarHBondContact O-N 3.12Å; V61-Q64 PolarHBondContact O-N 2.86Å; V61-Q65 WeakPolarHBondContact O-CG 3.23Å; V61-Q65 PolarHBondContact O-N 3.35Å |
| 62 | L | 88.7 | Confident | 82.5 | Confident | 14 Ų | 14 | 93.9 Ų | 93.9 | 7% | 0.073 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -65.2 | -35.2 | 179.4 | -68.3 | 170.7 | 0 | 0 | 0 | 112.5 | I19 V51 V53 L58 K59 Q65 G66 F67 L68 | I19-L62 HydrophobicContact CD1-CD2 4.41Å; I19-L62 HydrophobicContact CG1-CD2 4.28Å; I19-L62 HydrophobicContact CG2-CD2 4.42Å; V51-L62 HydrophobicContact CG1-CD1 3.86Å; V53-L62 HydrophobicContact CG1-CD1 4.29Å; L58-L62 VanDerWaalsContact O-CG 3.31Å; L58-L62 WeakPolarHBondContact O-CG 3.06Å; L58-L62 PolarHBondContact O-N 2.95Å; K59-L62 PolarHBondContact O-N 3.16Å; L62-Q65 PolarHBondContact O-N 2.61Å; L62-G66 PolarHBondContact O-N 3.08Å; L62-F67 HydrophobicContact CB-CB 4.3Å; L62-F67 HydrophobicContact CD2-CB 4.13Å; L62-F67 HydrophobicContact CD2-CD2 3.97Å; L62-F67 HydrophobicContact CD2-CG 4.37Å; L62-F67 PolarHBondContact O-N 2.93Å; L62-L68 HydrophobicContact CB-CD1 3.72Å; L62-L68 HydrophobicContact CB-CG 3.84Å; L62-L68 HydrophobicContact CD1-CD1 4.09Å; L62-L68 HydrophobicContact CD1-CG 4.5Å; L62-L68 PolarHBondContact O-N 3.32Å |
| 63 | M | 88.5 | Confident | 80.7 | Confident | 46 Ų | 46 | 98.3 Ų | 98.3 | 23% | 0.227 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -64.7 | -46.4 | 172.3 | -73.8 | 175.9 | 173.6 | 0 | 0 | 111.8 | K59 H60 V61 Q65 G66 L68 V70 | K59-M63 HydrophobicContact CD-CE 4.28Å; K59-M63 HydrophobicContact CG-CE 3.83Å; K59-M63 HydrophobicContact CG-SD 4.31Å; K59-M63 VanDerWaalsContact O-CG 3.31Å; K59-M63 WeakPolarHBondContact O-CG 3.2Å; K59-M63 PolarHBondContact O-N 2.84Å; H60-M63 PolarHBondContact O-N 2.82Å; V61-M63 VanDerWaalsContact C-N 3.33Å; V61-M63 PolarHBondContact O-N 3.12Å; M63-Q65 PolarHBondContact O-N 3.12Å; M63-G66 PolarHBondContact O-N 3.4Å; M63-L68 HydrophobicContact CG-CB 3.81Å; M63-L68 HydrophobicContact CG-CD1 4.39Å; M63-V70 HydrophobicContact CB-CG1 4.32Å |
| 64 | Q | 87.5 | Confident | 81 | Confident | 174 Ų | 174 | 100.1 Ų | 100.1 | 81% | 0.813 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.7 | -31.6 | 178.3 | -75.4 | -171.4 | -28.4 | 0 | 0 | 112.9 | H60 V61 G66 | H60-Q64 WeakPolarHBondContact O-CG 3.42Å; H60-Q64 PolarHBondContact O-N 3.35Å; V61-Q64 PolarHBondContact O-N 2.86Å; Q64-G66 VanDerWaalsContact C-N 3.28Å |
| 65 | Q | 85.7 | Confident | 81 | Confident | 119 Ų | 119 | 97.7 Ų | 97.7 | 56% | 0.556 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -4.4 | 176.1 | -69 | -176.7 | -27.6 | 0 | 0 | 113.4 | V61 L62 M63 F67 | V61-Q65 WeakPolarHBondContact O-CG 3.23Å; V61-Q65 PolarHBondContact O-N 3.35Å; L62-Q65 PolarHBondContact O-N 2.61Å; M63-Q65 PolarHBondContact O-N 3.12Å; Q65-F67 VanDerWaalsContact C-N 3.32Å; Q65-F67 HydrophobicContact CB-CD2 3.5Å; Q65-F67 HydrophobicContact CB-CE2 3.67Å; Q65-F67 HydrophobicContact CG-CE2 4.46Å |
| 66 | G | 86.1 | Confident | 80.7 | Confident | 62 Ų | 62 | 98.5 Ų | 98.5 | 64% | 0.639 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | 14.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L62 M63 Q64 | L62-G66 PolarHBondContact O-N 3.08Å; M63-G66 PolarHBondContact O-N 3.4Å; Q64-G66 VanDerWaalsContact C-N 3.28Å |
| 67 | F | 86.7 | Confident | 80.5 | Confident | 87 Ų | 87 | 98.2 Ų | 98.2 | 38% | 0.382 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -79.1 | -28.7 | 175.2 | -68.9 | -62 | 0 | 0 | 0 | 112.5 | I19 L62 Q65 | I19-F67 HydrophobicContact CB-CD1 4.06Å; I19-F67 HydrophobicContact CB-CD2 4.26Å; I19-F67 HydrophobicContact CB-CE1 3.82Å; I19-F67 HydrophobicContact CB-CE2 4.04Å; I19-F67 HydrophobicContact CB-CG 4.28Å; I19-F67 HydrophobicContact CB-CZ 3.82Å; I19-F67 HydrophobicContact CG1-CD2 4.32Å; I19-F67 HydrophobicContact CG1-CE2 4.07Å; I19-F67 HydrophobicContact CG1-CZ 4.29Å; I19-F67 HydrophobicContact CG2-CB 4.28Å; I19-F67 HydrophobicContact CG2-CD1 3.65Å; I19-F67 HydrophobicContact CG2-CD2 4.15Å; I19-F67 HydrophobicContact CG2-CE1 3.96Å; I19-F67 HydrophobicContact CG2-CE2 4.41Å; I19-F67 HydrophobicContact CG2-CG 3.77Å; I19-F67 HydrophobicContact CG2-CZ 4.33Å; L62-F67 HydrophobicContact CB-CB 4.3Å; L62-F67 HydrophobicContact CD2-CB 4.13Å; L62-F67 HydrophobicContact CD2-CD2 3.97Å; L62-F67 HydrophobicContact CD2-CG 4.37Å; L62-F67 PolarHBondContact O-N 2.93Å; Q65-F67 VanDerWaalsContact C-N 3.32Å; Q65-F67 HydrophobicContact CB-CD2 3.5Å; Q65-F67 HydrophobicContact CB-CE2 3.67Å; Q65-F67 HydrophobicContact CG-CE2 4.46Å |
| 68 | L | 85.7 | Confident | 80 | Confident | 50 Ų | 50 | 93.4 Ų | 93.4 | 26% | 0.262 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -111.3 | 145 | 172.5 | -64.9 | 177.1 | 0 | 0 | 0 | 110 | V53 K59 L62 M63 V70 | V53-L68 HydrophobicContact CG1-CD1 4.02Å; K59-L68 HydrophobicContact CG-CD1 4.12Å; L62-L68 HydrophobicContact CB-CD1 3.72Å; L62-L68 HydrophobicContact CB-CG 3.84Å; L62-L68 HydrophobicContact CD1-CD1 4.09Å; L62-L68 HydrophobicContact CD1-CG 4.5Å; L62-L68 PolarHBondContact O-N 3.32Å; M63-L68 HydrophobicContact CG-CB 3.81Å; M63-L68 HydrophobicContact CG-CD1 4.39Å; L68-V70 PolarHBondContact O-N 3.19Å |
| 69 | P | 80.9 | Confident | 79.6 | Confident | 102 Ų | 102 | 95.5 Ų | 95.5 | 66% | 0.662 | 54% | 0.54 | S | S | * | . | trans | -60.8 | 135.2 | 170.2 | 27.2 | -32.5 | 0 | 0 | 0 | 109.3 | D71 | P69-D71 PolarHBondContact O-N 3.33Š| ||
| 70 | V | 75.4 | Confident | 79.1 | Confident | 79 Ų | 79 | 97.7 Ų | 97.7 | 48% | 0.479 | 56% | 0.558 | S | S | . | * | trans | -74.4 | 112.8 | 161 | -82.1 | 0 | 0 | 0 | 0 | 106.3 | M63 L68 H72 | M63-V70 HydrophobicContact CB-CG1 4.32Å; L68-V70 PolarHBondContact O-N 3.19Å; V70-H72 VanDerWaalsContact C-N 3.3Å; V70-H72 WeakPolarHBondContact CG2-NE2 3.34Å; V70-H72 PolarHBondContact O-N 3.37Å | ||
| 71 | D | 66.7 | Low | 78.4 | Confident | 151 Ų | 151 | 97.1 Ų | 97.1 | 81% | 0.807 | 56% | 0.564 | S | S | * | * | trans | -58.4 | 98.8 | 170.4 | -91.3 | -46.2 | 0 | 0 | 0 | 108 | P69 A73 | P69-D71 PolarHBondContact O-N 3.33Å; D71-A73 PolarHBondContact O-N 3.23Å | ||
| 72 | H | 55.7 | Low | 77.6 | Confident | 167 Ų | 167 | 101.8 Ų | 101.8 | 77% | 0.773 | 59% | 0.59 | S | S | * | * | trans | -84.2 | 91.9 | 162 | -70.5 | -65.5 | 0 | 0 | 0 | 106 | V70 | V70-H72 VanDerWaalsContact C-N 3.3Å; V70-H72 WeakPolarHBondContact CG2-NE2 3.34Å; V70-H72 PolarHBondContact O-N 3.37Å | ||
| 73 | A | 43.8 | Very low | 76.6 | Confident | 170 Ų | 170 | 109.7 Ų | 109.7 | 100% | 1.405 | 64% | 0.637 | S | S | * | * | trans | -56.5 | 0 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | D71 | D71-A73 PolarHBondContact O-N 3.23Š|
Retrieved 73 of 73 residues in 146.7 ms
(Link to these results)