| 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 | 38.9 | Very low | 42.3 | Very low | 247 Ų | 247 | 117.3 Ų | 117.3 | 100% | 1.217 | 60% | 0.6 | S | S | * | * | 0 | 35.4 | 0 | -88.9 | 75 | 163.5 | 0 | 0 | 112.8 | |||||
| 2 | G | 46.2 | Very low | 43.3 | Very low | 63 Ų | 63 | 113.1 Ų | 113.1 | 65% | 0.649 | 59% | 0.589 | S | S | * | * | trans | -90.5 | 156.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 3 | F | 37.1 | Very low | 44.3 | Very low | 183 Ų | 183 | 108.4 Ų | 108.4 | 80% | 0.803 | 57% | 0.568 | S | S | * | * | trans | 101.3 | 8.2 | 173.7 | -68.8 | -85.1 | 0 | 0 | 0 | 119.9 | R5 | F3-R5 PolarHBondContact O-N 3.47Š| ||
| 4 | S | 31.9 | Very low | 45.1 | Very low | 120 Ų | 120 | 105.7 Ų | 105.7 | 84% | 0.839 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -84.1 | -3.6 | 175 | -160.2 | 0 | 0 | 0 | 0 | 115.5 | ||
| 5 | R | 39.9 | Very low | 45.6 | Very low | 192 Ų | 192 | 105.3 Ų | 105.3 | 73% | 0.725 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -137.7 | 12.7 | -170.9 | -66.1 | -172.4 | 179.2 | -96.4 | 0.4 | 115.7 | F3 F7 | F3-R5 PolarHBondContact O-N 3.47Å; R5-F7 PolarHBondContact O-N 3.45Å |
| 6 | I | 41.4 | Very low | 46.1 | Very low | 95 Ų | 95 | 102.3 Ų | 102.3 | 49% | 0.487 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -75.5 | -20.7 | 178.1 | -120.2 | 72.9 | 0 | 0 | 0 | 111.8 | ||
| 7 | F | 39.6 | Very low | 46.8 | Very low | 68 Ų | 68 | 104.6 Ų | 104.6 | 30% | 0.298 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -101 | -35.4 | -160.3 | -143.4 | -75.1 | 0 | 0 | 0 | 114.9 | R5 F9 V55 Y56 F57 | R5-F7 PolarHBondContact O-N 3.45Å; F7-F9 VanDerWaalsContact C-N 3.33Å; F7-V55 HydrophobicContact CE2-CB 3.82Å; F7-V55 HydrophobicContact CE2-CG1 4.19Å; F7-V55 WeakPolarHBondContact CE2-O 3.29Å; F7-V55 HydrophobicContact CZ-CB 4.2Å; F7-V55 HydrophobicContact CZ-CG1 4.12Å; F7-V55 WeakPolarHBondContact CZ-O 3.49Å; F7-Y56 VanDerWaalsContact CZ-C 3.4Å; F7-F57 HydrophobicContact CD1-CB 4.32Å; F7-F57 HydrophobicContact CD1-CD2 4.08Å; F7-F57 HydrophobicContact CD2-CD2 4.45Å; F7-F57 HydrophobicContact CE1-CB 3.36Å; F7-F57 AromaticContact CE1-CD2 3.32Å; F7-F57 HydrophobicContact CE1-CD2 3.32Å; F7-F57 HydrophobicContact CE1-CE2 4.42Å; F7-F57 AromaticContact CE1-CG 3.72Å; F7-F57 HydrophobicContact CE1-CG 3.72Å; F7-F57 AromaticContact CE2-CD2 3.67Å; F7-F57 HydrophobicContact CE2-CD2 3.67Å; F7-F57 HydrophobicContact CE2-CE2 4.02Å; F7-F57 HydrophobicContact CZ-CB 3.76Å; F7-F57 AromaticContact CZ-CD2 3.01Å; F7-F57 HydrophobicContact CZ-CD2 3.01Å; F7-F57 AromaticContact CZ-CE2 3.77Å; F7-F57 HydrophobicContact CZ-CE2 3.77Å; F7-F57 AromaticContact CZ-CG 3.62Å; F7-F57 HydrophobicContact CZ-CG 3.62Å |
| 8 | L | 40.5 | Very low | 47.2 | Very low | 144 Ų | 144 | 100.9 Ų | 100.9 | 75% | 0.754 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -7.5 | -178 | -151.6 | 77 | 0 | 0 | 0 | 113.4 | ||
| 9 | F | 42.5 | Very low | 47.6 | Very low | 116 Ų | 116 | 100.8 Ų | 100.8 | 51% | 0.509 | 56% | 0.564 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102 | -5.8 | -171.6 | -100.9 | -80.8 | 0 | 0 | 0 | 114.6 | F7 N23 | F7-F9 VanDerWaalsContact C-N 3.33Å; F9-N23 WeakPolarHBondContact O-CB 2.93Å |
| 10 | L | 52.8 | Low | 48.1 | Very low | 13 Ų | 13 | 97.1 Ų | 97.1 | 7% | 0.068 | 54% | 0.543 | C | S | . | . | S | Bend | trans | -65.2 | -49.4 | -172.3 | -60.7 | 178.6 | 0 | 0 | 0 | 109.9 | N23 F26 Y56 | L10-N23 PolarHBondContact O-N 2.85Å; L10-N23 VanDerWaalsContact O-N 3.1Å; L10-F26 HydrophobicContact CD2-CD1 4.44Å; L10-F26 HydrophobicContact CD2-CD2 3.28Å; L10-F26 HydrophobicContact CD2-CE1 4.23Å; L10-F26 HydrophobicContact CD2-CE2 3Å; L10-F26 HydrophobicContact CD2-CG 4.02Å; L10-F26 HydrophobicContact CD2-CZ 3.53Å; L10-F26 HydrophobicContact CG-CE2 4.45Å; L10-Y56 HydrophobicContact CD1-CD1 3.69Å; L10-Y56 HydrophobicContact CD1-CE1 3.49Å; L10-Y56 VanDerWaalsContact CD1-CE1 3.49Å |
| 11 | L | 54.3 | Low | 48.7 | Very low | 49 Ų | 49 | 95.6 Ų | 95.6 | 26% | 0.257 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 114.5 | -176.7 | -63.2 | 157.7 | 0 | 0 | 0 | 109.8 | S21 Y22 L32 M43 | L11-S21 WeakPolarHBondContact CA-O 3.18Å; L11-Y22 HydrophobicContact CD2-CD1 3.19Å; L11-Y22 HydrophobicContact CD2-CE1 3.84Å; L11-Y22 HydrophobicContact CD2-CG 4.03Å; L11-L32 HydrophobicContact CB-CD2 3.96Å; L11-L32 HydrophobicContact CD1-CB 3.76Å; L11-L32 HydrophobicContact CD1-CD1 3.68Å; L11-L32 HydrophobicContact CD1-CD2 3.87Å; L11-L32 HydrophobicContact CD1-CG 3.93Å; L11-L32 HydrophobicContact CD2-CB 3.7Å; L11-L32 HydrophobicContact CD2-CD2 3.71Å; L11-L32 HydrophobicContact CD2-CG 4.22Å; L11-L32 HydrophobicContact CG-CB 4.31Å; L11-L32 HydrophobicContact CG-CD2 4Å; L11-M43 HydrophobicContact CD1-CE 3.87Å; L11-M43 HydrophobicContact CD1-CG 4Å; L11-M43 HydrophobicContact CD1-SD 3.32Å; L11-M43 WeakPolarHBondContact CD1-SD 3.47Å |
| 12 | S | 54 | Low | 49.7 | Very low | 67 Ų | 67 | 89.9 Ų | 89.9 | 47% | 0.469 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 111.7 | 168.7 | 176.4 | 0 | 0 | 0 | 0 | 108.1 | S21 | S12-S21 PolarHBondContact N-O 3.06Å; S12-S21 PolarHBondContact O-N 3.1Å |
| 13 | V | 57.2 | Low | 50.3 | Low | 52 Ų | 52 | 89 Ų | 89 | 32% | 0.315 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 118.7 | 173.5 | 83 | 0 | 0 | 0 | 0 | 110.2 | T20 V34 | V13-T20 HydrophobicContact CB-CG2 4.27Å; V13-T20 HydrophobicContact CG2-CG2 4.03Å; V13-T20 WeakPolarHBondContact CG2-OG1 3.16Å; V13-V34 HydrophobicContact CB-CG2 4.12Å; V13-V34 HydrophobicContact CG1-CG2 4.32Å; V13-V34 HydrophobicContact CG2-CB 4.13Å; V13-V34 HydrophobicContact CG2-CG1 3.93Å; V13-V34 HydrophobicContact CG2-CG2 3.64Å |
| 14 | T | 55.3 | Low | 51.4 | Low | 71 Ų | 71 | 88.2 Ų | 88.2 | 44% | 0.436 | 49% | 0.485 | S | S | . | . | trans | -95 | 105 | 177 | -46.3 | 0 | 0 | 0 | 0 | 108.3 | G16 N17 G18 D19 | T14-G16 PolarHBondContact O-N 2.96Å; T14-G16 VanDerWaalsContact O-N 3.09Å; T14-N17 PolarHBondContact O-N 3.45Å; T14-G18 PolarHBondContact O-N 3.47Å; T14-D19 PolarHBondContact N-O 3.45Å; T14-D19 VanDerWaalsContact N-O 3.12Å | ||
| 15 | T | 51.8 | Low | 52.8 | Low | 99 Ų | 99 | 90.6 Ų | 90.6 | 61% | 0.607 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -20.2 | -176.6 | 42.2 | 0 | 0 | 0 | 0 | 113.7 | K36 | T15-K36 PolarHBondContact O-NZ 2.77Š|
| 16 | G | 54.5 | Low | 53.8 | Low | 57 Ų | 57 | 82.8 Ų | 82.8 | 59% | 0.588 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -51.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | T14 K36 | T14-G16 PolarHBondContact O-N 2.96Å; T14-G16 VanDerWaalsContact O-N 3.09Å; G16-K36 PolarHBondContact O-NZ 3.09Å |
| 17 | N | 57.1 | Low | 54.8 | Low | 142 Ų | 142 | 86.2 Ų | 86.2 | 76% | 0.759 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.3 | -8 | -168 | -66.7 | 49 | 0 | 0 | 0 | 113.6 | T14 D19 | T14-N17 PolarHBondContact O-N 3.45Å; N17-D19 PolarHBondContact O-N 2.77Å |
| 18 | G | 54 | Low | 56.1 | Low | 39 Ų | 39 | 86.5 Ų | 86.5 | 40% | 0.402 | 49% | 0.485 | S | S | . | . | trans | 69.7 | 3.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | T14 T20 | T14-G18 PolarHBondContact O-N 3.47Å; G18-T20 PolarHBondContact O-N 3.05Å; G18-T20 PolarHBondContact O-OG1 3.14Å | ||
| 19 | D | 55.1 | Low | 57.5 | Low | 99 Ų | 99 | 83 Ų | 83 | 53% | 0.529 | 46% | 0.463 | S | S | . | . | trans | -73.6 | 115.2 | 177.8 | -154.8 | -87.2 | 0 | 0 | 0 | 108.7 | T14 N17 | T14-D19 PolarHBondContact N-O 3.45Å; T14-D19 VanDerWaalsContact N-O 3.12Å; N17-D19 PolarHBondContact O-N 2.77Å | ||
| 20 | T | 58.5 | Low | 58.7 | Low | 25 Ų | 25 | 78.1 Ų | 78.1 | 15% | 0.153 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 108.5 | -178.6 | -45.4 | 0 | 0 | 0 | 0 | 105.7 | V13 G18 Y22 L32 V34 | V13-T20 HydrophobicContact CB-CG2 4.27Å; V13-T20 HydrophobicContact CG2-CG2 4.03Å; V13-T20 WeakPolarHBondContact CG2-OG1 3.16Å; G18-T20 PolarHBondContact O-N 3.05Å; G18-T20 PolarHBondContact O-OG1 3.14Å; T20-Y22 WeakPolarHBondContact CB-OH 3.41Å; T20-Y22 HydrophobicContact CG2-CD1 4.43Å; T20-Y22 HydrophobicContact CG2-CE1 3.71Å; T20-Y22 HydrophobicContact CG2-CE2 4.04Å; T20-Y22 VanDerWaalsContact CG2-CZ 3.45Å; T20-Y22 WeakPolarHBondContact CG2-OH 3.34Å; T20-Y22 WeakPolarHBondContact O-CD2 2.71Å; T20-Y22 WeakPolarHBondContact O-CE2 3.3Å; T20-L32 HydrophobicContact CG2-CD2 3.67Å; T20-V34 HydrophobicContact CG2-CG2 4.47Å |
| 21 | S | 59.6 | Low | 59.5 | Low | 67 Ų | 67 | 81.1 Ų | 81.1 | 47% | 0.469 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 119.7 | 179.5 | -81.4 | 0 | 0 | 0 | 0 | 109.5 | L11 S12 | L11-S21 WeakPolarHBondContact CA-O 3.18Å; S12-S21 PolarHBondContact N-O 3.06Å; S12-S21 PolarHBondContact O-N 3.1Å |
| 22 | Y | 60.2 | Low | 60.2 | Low | 126 Ų | 126 | 79.8 Ų | 79.8 | 49% | 0.494 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 140.2 | -175.6 | -45.7 | -101.1 | 0 | 0 | 0 | 110.6 | L11 T20 Q24 L32 | L11-Y22 HydrophobicContact CD2-CD1 3.19Å; L11-Y22 HydrophobicContact CD2-CE1 3.84Å; L11-Y22 HydrophobicContact CD2-CG 4.03Å; T20-Y22 WeakPolarHBondContact CB-OH 3.41Å; T20-Y22 HydrophobicContact CG2-CD1 4.43Å; T20-Y22 HydrophobicContact CG2-CE1 3.71Å; T20-Y22 HydrophobicContact CG2-CE2 4.04Å; T20-Y22 VanDerWaalsContact CG2-CZ 3.45Å; T20-Y22 WeakPolarHBondContact CG2-OH 3.34Å; T20-Y22 WeakPolarHBondContact O-CD2 2.71Å; T20-Y22 WeakPolarHBondContact O-CE2 3.3Å; Y22-Q24 PolarHBondContact O-N 3.24Å; Y22-L32 HydrophobicContact CE1-CB 4.02Å; Y22-L32 HydrophobicContact CE1-CD2 4.47Å |
| 23 | N | 59.9 | Low | 60.9 | Low | 46 Ų | 46 | 80.3 Ų | 80.3 | 25% | 0.246 | 46% | 0.457 | C | S | . | . | trans | -69.1 | 131.7 | 168.2 | -158.1 | -63.3 | 0 | 0 | 0 | 110.9 | F9 L10 K25 F26 K27 | F9-N23 WeakPolarHBondContact O-CB 2.93Å; L10-N23 PolarHBondContact O-N 2.85Å; L10-N23 VanDerWaalsContact O-N 3.1Å; N23-K25 PolarHBondContact O-N 2.99Å; N23-K25 VanDerWaalsContact O-N 3.14Å; N23-K25 PolarHBondContact OD1-N 3.48Å; N23-F26 HydrophobicContact CB-CD2 4.21Å; N23-F26 PolarHBondContact O-N 2.8Å; N23-K27 PolarHBondContact O-N 2.87Å | ||
| 24 | Q | 58.7 | Low | 61.6 | Low | 165 Ų | 165 | 79.9 Ų | 79.9 | 77% | 0.771 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -26.3 | 179.7 | -160.9 | 171.6 | -0.8 | 0 | 0 | 113.3 | Y22 F26 K27 | Y22-Q24 PolarHBondContact O-N 3.24Å; Q24-F26 PolarHBondContact O-N 3.28Å; Q24-K27 WeakPolarHBondContact O-CB 3.35Å; Q24-K27 PolarHBondContact O-N 3.34Å |
| 25 | K | 61 | Low | 62.2 | Low | 170 Ų | 170 | 79.7 Ų | 79.7 | 74% | 0.739 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -27.5 | 174.4 | -75 | -162.8 | 172.6 | -160.3 | 0 | 113.9 | N23 | N23-K25 PolarHBondContact O-N 2.99Å; N23-K25 VanDerWaalsContact O-N 3.14Å; N23-K25 PolarHBondContact OD1-N 3.48Å |
| 26 | F | 62.7 | Low | 63 | Low | 28 Ų | 28 | 81 Ų | 81 | 12% | 0.123 | 45% | 0.448 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -5.8 | -179.5 | -70.2 | -92.8 | 0 | 0 | 0 | 112 | L10 N23 Q24 G28 K29 A30 | L10-F26 HydrophobicContact CD2-CD1 4.44Å; L10-F26 HydrophobicContact CD2-CD2 3.28Å; L10-F26 HydrophobicContact CD2-CE1 4.23Å; L10-F26 HydrophobicContact CD2-CE2 3Å; L10-F26 HydrophobicContact CD2-CG 4.02Å; L10-F26 HydrophobicContact CD2-CZ 3.53Å; L10-F26 HydrophobicContact CG-CE2 4.45Å; N23-F26 HydrophobicContact CB-CD2 4.21Å; N23-F26 PolarHBondContact O-N 2.8Å; Q24-F26 PolarHBondContact O-N 3.28Å; F26-G28 PolarHBondContact O-N 3.08Å; F26-K29 PolarHBondContact O-N 3.05Å; F26-K29 VanDerWaalsContact O-N 3.08Å; F26-A30 HydrophobicContact CB-CB 4.12Å; F26-A30 HydrophobicContact CD1-CB 4.34Å; F26-A30 PolarHBondContact O-N 2.75Å |
| 27 | K | 60.8 | Low | 63.7 | Low | 167 Ų | 167 | 83.8 Ų | 83.8 | 73% | 0.726 | 46% | 0.459 | S | S | * | . | B | Isolated β-bridge | trans | -65.3 | 106.5 | 175.4 | -164.7 | 178.1 | -174.2 | -177.6 | 0 | 109.2 | N23 Q24 | N23-K27 PolarHBondContact O-N 2.87Å; Q24-K27 WeakPolarHBondContact O-CB 3.35Å; Q24-K27 PolarHBondContact O-N 3.34Å |
| 28 | G | 67.1 | Low | 64.3 | Low | 75 Ų | 75 | 80.9 Ų | 80.9 | 77% | 0.773 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.9 | -15.6 | -178 | 0 | 0 | 0 | 0 | 0 | 115.1 | F26 | F26-G28 PolarHBondContact O-N 3.08Š|
| 29 | K | 69.7 | Low | 65 | Low | 69 Ų | 69 | 83.4 Ų | 83.4 | 30% | 0.3 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | -23.8 | 170.7 | -63.4 | -159.7 | -177 | -170 | 0 | 113.2 | F26 S46 D52 | F26-K29 PolarHBondContact O-N 3.05Å; F26-K29 VanDerWaalsContact O-N 3.08Å; K29-S46 CarbonylContact C-O 3.53Å; K29-S46 WeakPolarHBondContact CA-O 3.43Å; K29-S46 CarbonylContact O-C 3.53Å; K29-S46 PolarHBondContact O-N 3.46Å; K29-D52 IonicContact NZ-OD2 2.77Å; K29-D52 PolarHBondContact NZ-OD2 3.42Å |
| 30 | A | 69.1 | Low | 65.5 | Low | 14 Ų | 14 | 81 Ų | 81 | 12% | 0.116 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 130.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | F26 M43 Q44 L45 | F26-A30 HydrophobicContact CB-CB 4.12Å; F26-A30 HydrophobicContact CD1-CB 4.34Å; F26-A30 PolarHBondContact O-N 2.75Å; A30-M43 HydrophobicContact CB-CE 4.11Å; A30-Q44 CarbonylContact C-O 3.51Å; A30-Q44 VanDerWaalsContact CA-O 3.3Å; A30-Q44 WeakPolarHBondContact CA-O 3.32Å; A30-L45 HydrophobicContact CB-CD2 3.51Å; A30-L45 HydrophobicContact CB-CG 4.45Å |
| 31 | T | 68.7 | Low | 65.9 | Low | 76 Ų | 76 | 82.6 Ų | 82.6 | 47% | 0.466 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 109.3 | 171.7 | -57.3 | 0 | 0 | 0 | 0 | 107.7 | Q44 | T31-Q44 PolarHBondContact N-O 3.05Å; T31-Q44 PolarHBondContact O-N 2.9Å |
| 32 | L | 68.9 | Low | 66.4 | Low | 22 Ų | 22 | 86.1 Ų | 86.1 | 12% | 0.115 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 131.8 | 169.3 | -176.9 | 82.6 | 0 | 0 | 0 | 109.4 | L11 T20 Y22 V34 A41 Y42 M43 | L11-L32 HydrophobicContact CB-CD2 3.96Å; L11-L32 HydrophobicContact CD1-CB 3.76Å; L11-L32 HydrophobicContact CD1-CD1 3.68Å; L11-L32 HydrophobicContact CD1-CD2 3.87Å; L11-L32 HydrophobicContact CD1-CG 3.93Å; L11-L32 HydrophobicContact CD2-CB 3.7Å; L11-L32 HydrophobicContact CD2-CD2 3.71Å; L11-L32 HydrophobicContact CD2-CG 4.22Å; L11-L32 HydrophobicContact CG-CB 4.31Å; L11-L32 HydrophobicContact CG-CD2 4Å; T20-L32 HydrophobicContact CG2-CD2 3.67Å; Y22-L32 HydrophobicContact CE1-CB 4.02Å; Y22-L32 HydrophobicContact CE1-CD2 4.47Å; L32-V34 HydrophobicContact CD2-CG2 3.67Å; L32-V34 HydrophobicContact CG-CG2 4.11Å; L32-A41 HydrophobicContact CD1-CB 4.2Å; L32-Y42 CarbonylContact C-O 3.48Å; L32-Y42 VanDerWaalsContact CA-O 3.3Å; L32-Y42 WeakPolarHBondContact CA-O 3.3Å; L32-Y42 WeakPolarHBondContact CD1-O 3.11Å; L32-M43 HydrophobicContact CD1-CB 3.81Å; L32-M43 HydrophobicContact CD1-CG 4.25Å |
| 33 | T | 69.8 | Low | 66.9 | Low | 77 Ų | 77 | 83.3 Ų | 83.3 | 47% | 0.472 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 122.1 | 171.7 | -54 | 0 | 0 | 0 | 0 | 108.1 | Y42 | T33-Y42 PolarHBondContact N-O 3.11Å; T33-Y42 PolarHBondContact O-N 3.27Å |
| 34 | V | 70.5 | Confident | 67.4 | Low | 44 Ų | 44 | 87.4 Ų | 87.4 | 27% | 0.267 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 119.3 | 175.1 | 176.1 | 0 | 0 | 0 | 0 | 108.9 | V13 T20 L32 K36 A41 | V13-V34 HydrophobicContact CB-CG2 4.12Å; V13-V34 HydrophobicContact CG1-CG2 4.32Å; V13-V34 HydrophobicContact CG2-CB 4.13Å; V13-V34 HydrophobicContact CG2-CG1 3.93Å; V13-V34 HydrophobicContact CG2-CG2 3.64Å; T20-V34 HydrophobicContact CG2-CG2 4.47Å; L32-V34 HydrophobicContact CD2-CG2 3.67Å; L32-V34 HydrophobicContact CG-CG2 4.11Å; V34-K36 PolarHBondContact O-N 2.76Å; V34-A41 HydrophobicContact CG2-CB 3.98Å |
| 35 | D | 69.8 | Low | 68.1 | Low | 67 Ų | 67 | 82.7 Ų | 82.7 | 36% | 0.358 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 101.3 | 170.9 | -164.9 | -89.9 | 0 | 0 | 0 | 108.9 | S37 S38 S39 T40 | D35-S37 PolarHBondContact O-N 2.73Å; D35-S37 VanDerWaalsContact OD1-CB 3.29Å; D35-S37 WeakPolarHBondContact OD1-CB 3.44Å; D35-S37 PolarHBondContact OD1-N 2.99Å; D35-S38 PolarHBondContact O-N 2.96Å; D35-S38 PolarHBondContact OD1-N 3.19Å; D35-S39 WeakPolarHBondContact O-CA 2.94Å; D35-S39 PolarHBondContact O-N 3.22Å; D35-T40 PolarHBondContact N-O 3.21Å; D35-T40 PolarHBondContact O-N 3.17Å; D35-T40 VanDerWaalsContact O-N 3.11Å |
| 36 | K | 66.8 | Low | 68.4 | Low | 125 Ų | 125 | 77.3 Ų | 77.3 | 54% | 0.543 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -22.5 | -179.7 | -161.1 | -179.6 | 166.2 | 88.3 | 0 | 111.9 | T15 G16 V34 | T15-K36 PolarHBondContact O-NZ 2.77Å; G16-K36 PolarHBondContact O-NZ 3.09Å; V34-K36 PolarHBondContact O-N 2.76Å |
| 37 | S | 69.8 | Low | 68.6 | Low | 116 Ų | 116 | 80.8 Ų | 80.8 | 81% | 0.811 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -43.8 | 178.4 | -166.3 | 0 | 0 | 0 | 0 | 111.5 | D35 | D35-S37 PolarHBondContact O-N 2.73Å; D35-S37 VanDerWaalsContact OD1-CB 3.29Å; D35-S37 WeakPolarHBondContact OD1-CB 3.44Å; D35-S37 PolarHBondContact OD1-N 2.99Å |
| 38 | S | 69.8 | Low | 68.9 | Low | 82 Ų | 82 | 76 Ų | 76 | 57% | 0.573 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -1.7 | 177.9 | -63.6 | 0 | 0 | 0 | 0 | 114.3 | D35 T40 | D35-S38 PolarHBondContact O-N 2.96Å; D35-S38 PolarHBondContact OD1-N 3.19Å; S38-T40 VanDerWaalsContact CB-OG1 3.25Å; S38-T40 WeakPolarHBondContact CB-OG1 3.18Å; S38-T40 PolarHBondContact O-N 3.12Å; S38-T40 PolarHBondContact O-OG1 3.26Å |
| 39 | S | 68.7 | Low | 69 | Low | 91 Ų | 91 | 75.5 Ų | 75.5 | 64% | 0.636 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 32.8 | -168.9 | -59.7 | 0 | 0 | 0 | 0 | 112.5 | D35 | D35-S39 WeakPolarHBondContact O-CA 2.94Å; D35-S39 PolarHBondContact O-N 3.22Å |
| 40 | T | 65.3 | Low | 68.8 | Low | 49 Ų | 49 | 77.8 Ų | 77.8 | 30% | 0.301 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 127.8 | -176.7 | -49.8 | 0 | 0 | 0 | 0 | 109.1 | D35 S38 Y42 | D35-T40 PolarHBondContact N-O 3.21Å; D35-T40 PolarHBondContact O-N 3.17Å; D35-T40 VanDerWaalsContact O-N 3.11Å; S38-T40 VanDerWaalsContact CB-OG1 3.25Å; S38-T40 WeakPolarHBondContact CB-OG1 3.18Å; S38-T40 PolarHBondContact O-N 3.12Å; S38-T40 PolarHBondContact O-OG1 3.26Å; T40-Y42 HydrophobicContact CG2-CD2 4.22Å; T40-Y42 HydrophobicContact CG2-CE1 4.16Å; T40-Y42 HydrophobicContact CG2-CE2 3.59Å |
| 41 | A | 67.4 | Low | 68.6 | Low | 58 Ų | 58 | 86 Ų | 86 | 48% | 0.479 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 125.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | L32 V34 | L32-A41 HydrophobicContact CD1-CB 4.2Å; V34-A41 HydrophobicContact CG2-CB 3.98Å |
| 42 | Y | 70 | Confident | 68.4 | Low | 142 Ų | 142 | 84.6 Ų | 84.6 | 56% | 0.557 | 49% | 0.485 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 129.5 | 175.3 | -65.4 | -81.4 | 0 | 0 | 0 | 109.4 | L32 T33 T40 | L32-Y42 CarbonylContact C-O 3.48Å; L32-Y42 VanDerWaalsContact CA-O 3.3Å; L32-Y42 WeakPolarHBondContact CA-O 3.3Å; L32-Y42 WeakPolarHBondContact CD1-O 3.11Å; T33-Y42 PolarHBondContact N-O 3.11Å; T33-Y42 PolarHBondContact O-N 3.27Å; T40-Y42 HydrophobicContact CG2-CD2 4.22Å; T40-Y42 HydrophobicContact CG2-CE1 4.16Å; T40-Y42 HydrophobicContact CG2-CE2 3.59Å |
| 43 | M | 70.4 | Confident | 68.1 | Low | 67 Ų | 67 | 88 Ų | 88 | 33% | 0.33 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 111.1 | 177.6 | -167.7 | 168.6 | 163.6 | 0 | 0 | 109.1 | L11 A30 L32 L45 Y56 | L11-M43 HydrophobicContact CD1-CE 3.87Å; L11-M43 HydrophobicContact CD1-CG 4Å; L11-M43 HydrophobicContact CD1-SD 3.32Å; L11-M43 WeakPolarHBondContact CD1-SD 3.47Å; A30-M43 HydrophobicContact CB-CE 4.11Å; L32-M43 HydrophobicContact CD1-CB 3.81Å; L32-M43 HydrophobicContact CD1-CG 4.25Å; M43-L45 HydrophobicContact CE-CD1 4.11Å; M43-L45 HydrophobicContact CE-CD2 3.7Å; M43-L45 HydrophobicContact CE-CG 4.12Å; M43-L45 HydrophobicContact CG-CG 4.38Å; M43-Y56 HydrophobicContact CE-CD1 3.89Å; M43-Y56 HydrophobicContact CE-CE1 3.54Å; M43-Y56 HydrophobicContact SD-CD1 4.46Å |
| 44 | Q | 71.3 | Confident | 68 | Low | 132 Ų | 132 | 86.2 Ų | 86.2 | 62% | 0.617 | 50% | 0.504 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 127.9 | 170.2 | -114.3 | 174.2 | 81.5 | 0 | 0 | 109 | A30 T31 | A30-Q44 CarbonylContact C-O 3.51Å; A30-Q44 VanDerWaalsContact CA-O 3.3Å; A30-Q44 WeakPolarHBondContact CA-O 3.32Å; T31-Q44 PolarHBondContact N-O 3.05Å; T31-Q44 PolarHBondContact O-N 2.9Å |
| 45 | L | 73.1 | Confident | 67.7 | Low | 65 Ų | 65 | 88.4 Ų | 88.4 | 34% | 0.34 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 120.8 | 178.6 | -73.7 | 154 | 0 | 0 | 0 | 108.1 | A30 M43 L48 Y56 | A30-L45 HydrophobicContact CB-CD2 3.51Å; A30-L45 HydrophobicContact CB-CG 4.45Å; M43-L45 HydrophobicContact CE-CD1 4.11Å; M43-L45 HydrophobicContact CE-CD2 3.7Å; M43-L45 HydrophobicContact CE-CG 4.12Å; M43-L45 HydrophobicContact CG-CG 4.38Å; L45-L48 HydrophobicContact CB-CD1 3.64Å; L45-L48 HydrophobicContact CB-CG 4.05Å; L45-L48 HydrophobicContact CD1-CD1 3.89Å; L45-L48 HydrophobicContact CD2-CD1 3.99Å; L45-L48 HydrophobicContact CD2-CD2 4.08Å; L45-L48 HydrophobicContact CD2-CG 4.11Å; L45-L48 HydrophobicContact CG-CD1 4.03Å; L45-Y56 HydrophobicContact CD1-CE2 4.38Å |
| 46 | S | 67.4 | Low | 67.3 | Low | 58 Ų | 58 | 89 Ų | 89 | 41% | 0.406 | 52% | 0.515 | S | S | . | . | trans | -124.6 | 118.9 | -176 | -56.4 | 0 | 0 | 0 | 0 | 108.4 | K29 | K29-S46 CarbonylContact C-O 3.53Å; K29-S46 WeakPolarHBondContact CA-O 3.43Å; K29-S46 CarbonylContact O-C 3.53Å; K29-S46 PolarHBondContact O-N 3.46Å | ||
| 47 | S | 66.3 | Low | 66.7 | Low | 101 Ų | 101 | 90.3 Ų | 90.3 | 71% | 0.706 | 52% | 0.521 | S | S | * | . | S | Bend | trans | 71.9 | 41.7 | -179.2 | -142.8 | 0 | 0 | 0 | 0 | 115.2 | T49 | S47-T49 PolarHBondContact O-N 3.34Š|
| 48 | L | 67.8 | Low | 66.1 | Low | 67 Ų | 67 | 91.1 Ų | 91.1 | 35% | 0.351 | 53% | 0.525 | S | S | . | . | trans | -68.9 | 124.5 | 163.6 | -76.3 | 172.7 | 0 | 0 | 0 | 109.7 | L45 D52 | L45-L48 HydrophobicContact CB-CD1 3.64Å; L45-L48 HydrophobicContact CB-CG 4.05Å; L45-L48 HydrophobicContact CD1-CD1 3.89Å; L45-L48 HydrophobicContact CD2-CD1 3.99Å; L45-L48 HydrophobicContact CD2-CD2 4.08Å; L45-L48 HydrophobicContact CD2-CG 4.11Å; L45-L48 HydrophobicContact CG-CD1 4.03Å; L48-D52 HydrophobicContact CD2-CB 3.8Å | ||
| 49 | T | 68 | Low | 65.4 | Low | 63 Ų | 63 | 91.3 Ų | 91.3 | 39% | 0.387 | 53% | 0.532 | S | S | . | . | trans | -90.4 | 160.2 | 167.6 | 55.2 | 0 | 0 | 0 | 0 | 109.2 | S47 E51 D52 S53 | S47-T49 PolarHBondContact O-N 3.34Å; T49-E51 PolarHBondContact O-N 2.85Å; T49-D52 WeakPolarHBondContact O-CA 3.39Å; T49-D52 PolarHBondContact O-N 3.28Å; T49-D52 PolarHBondContact OG1-OD2 2.8Å; T49-S53 PolarHBondContact O-N 2.83Å | ||
| 50 | S | 65.4 | Low | 64.8 | Low | 117 Ų | 117 | 102 Ų | 102 | 82% | 0.818 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -57.9 | -22.9 | 178.7 | -50.1 | 0 | 0 | 0 | 0 | 113.1 | ||
| 51 | E | 66 | Low | 64.7 | Low | 188 Ų | 188 | 104.7 Ų | 104.7 | 88% | 0.879 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -71.4 | -25.6 | 172.2 | -70.6 | 178.5 | 84.5 | 0 | 0 | 113.9 | T49 | T49-E51 PolarHBondContact O-N 2.85Š|
| 52 | D | 63.6 | Low | 64.6 | Low | 45 Ų | 45 | 107.2 Ų | 107.2 | 24% | 0.241 | 58% | 0.576 | C | S | . | * | G | 310 helix | trans | -94.9 | 3.8 | 178.5 | -83.1 | -58.3 | 0 | 0 | 0 | 112.3 | K29 L48 T49 A54 | K29-D52 IonicContact NZ-OD2 2.77Å; K29-D52 PolarHBondContact NZ-OD2 3.42Å; L48-D52 HydrophobicContact CD2-CB 3.8Å; T49-D52 WeakPolarHBondContact O-CA 3.39Å; T49-D52 PolarHBondContact O-N 3.28Å; T49-D52 PolarHBondContact OG1-OD2 2.8Å; D52-A54 PolarHBondContact O-N 3.31Å |
| 53 | S | 63.8 | Low | 64.3 | Low | 93 Ų | 93 | 105.2 Ų | 105.2 | 65% | 0.65 | 58% | 0.577 | S | S | * | * | trans | -68.1 | 98 | 175.4 | -76.7 | 0 | 0 | 0 | 0 | 110.7 | T49 | T49-S53 PolarHBondContact O-N 2.83Š| ||
| 54 | A | 66.4 | Low | 63.9 | Low | 41 Ų | 41 | 107.5 Ų | 107.5 | 34% | 0.339 | 59% | 0.592 | S | S | . | * | trans | -109.7 | 158.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | D52 Y56 | D52-A54 PolarHBondContact O-N 3.31Å; A54-Y56 HydrophobicContact CB-CE2 4.39Å; A54-Y56 WeakPolarHBondContact O-CD2 3.25Å; A54-Y56 WeakPolarHBondContact O-CE2 3.32Å | ||
| 55 | V | 64.3 | Low | 63.5 | Low | 90 Ų | 90 | 105.9 Ų | 105.9 | 55% | 0.545 | 59% | 0.59 | S | S | . | * | trans | -67 | 150.8 | 162.8 | -179.8 | 0 | 0 | 0 | 0 | 107.1 | F7 F57 | F7-V55 HydrophobicContact CE2-CB 3.82Å; F7-V55 HydrophobicContact CE2-CG1 4.19Å; F7-V55 WeakPolarHBondContact CE2-O 3.29Å; F7-V55 HydrophobicContact CZ-CB 4.2Å; F7-V55 HydrophobicContact CZ-CG1 4.12Å; F7-V55 WeakPolarHBondContact CZ-O 3.49Å; V55-F57 HydrophobicContact CB-CE2 4.39Å; V55-F57 HydrophobicContact CG1-CD2 4.11Å; V55-F57 HydrophobicContact CG1-CE1 4.08Å; V55-F57 HydrophobicContact CG1-CE2 3.56Å; V55-F57 HydrophobicContact CG1-CZ 3.55Å | ||
| 56 | Y | 61.3 | Low | 62.8 | Low | 78 Ų | 78 | 108.7 Ų | 108.7 | 31% | 0.306 | 61% | 0.607 | S | S | . | * | trans | -127.9 | 127.9 | 172.3 | -62.2 | -97.4 | 0 | 0 | 0 | 107.9 | F7 L10 M43 L45 A54 | F7-Y56 VanDerWaalsContact CZ-C 3.4Å; L10-Y56 HydrophobicContact CD1-CD1 3.69Å; L10-Y56 HydrophobicContact CD1-CE1 3.49Å; L10-Y56 VanDerWaalsContact CD1-CE1 3.49Å; M43-Y56 HydrophobicContact CE-CD1 3.89Å; M43-Y56 HydrophobicContact CE-CE1 3.54Å; M43-Y56 HydrophobicContact SD-CD1 4.46Å; L45-Y56 HydrophobicContact CD1-CE2 4.38Å; A54-Y56 HydrophobicContact CB-CE2 4.39Å; A54-Y56 WeakPolarHBondContact O-CD2 3.25Å; A54-Y56 WeakPolarHBondContact O-CE2 3.32Å | ||
| 57 | F | 55.4 | Low | 62.5 | Low | 154 Ų | 154 | 112.3 Ų | 112.3 | 68% | 0.675 | 62% | 0.621 | S | S | * | * | trans | -122.4 | 129.6 | -176.5 | -67.4 | -69.7 | 0 | 0 | 0 | 106.1 | F7 V55 | F7-F57 HydrophobicContact CD1-CB 4.32Å; F7-F57 HydrophobicContact CD1-CD2 4.08Å; F7-F57 HydrophobicContact CD2-CD2 4.45Å; F7-F57 HydrophobicContact CE1-CB 3.36Å; F7-F57 AromaticContact CE1-CD2 3.32Å; F7-F57 HydrophobicContact CE1-CD2 3.32Å; F7-F57 HydrophobicContact CE1-CE2 4.42Å; F7-F57 AromaticContact CE1-CG 3.72Å; F7-F57 HydrophobicContact CE1-CG 3.72Å; F7-F57 AromaticContact CE2-CD2 3.67Å; F7-F57 HydrophobicContact CE2-CD2 3.67Å; F7-F57 HydrophobicContact CE2-CE2 4.02Å; F7-F57 HydrophobicContact CZ-CB 3.76Å; F7-F57 AromaticContact CZ-CD2 3.01Å; F7-F57 HydrophobicContact CZ-CD2 3.01Å; F7-F57 AromaticContact CZ-CE2 3.77Å; F7-F57 HydrophobicContact CZ-CE2 3.77Å; F7-F57 AromaticContact CZ-CG 3.62Å; F7-F57 HydrophobicContact CZ-CG 3.62Å; V55-F57 HydrophobicContact CB-CE2 4.39Å; V55-F57 HydrophobicContact CG1-CD2 4.11Å; V55-F57 HydrophobicContact CG1-CE1 4.08Å; V55-F57 HydrophobicContact CG1-CE2 3.56Å; V55-F57 HydrophobicContact CG1-CZ 3.55Å | ||
| 58 | C | 56.2 | Low | 62.2 | Low | 133 Ų | 133 | 113.2 Ų | 113.2 | 90% | 0.899 | 62% | 0.615 | S | S | * | * | trans | -82.5 | 117.8 | 170.1 | -171.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 59 | A | 55 | Low | 61.8 | Low | 86 Ų | 86 | 117 Ų | 117 | 71% | 0.711 | 64% | 0.637 | S | S | * | * | trans | -110 | 129 | 166.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 60 | R | 55.8 | Low | 61.2 | Low | 316 Ų | 316 | 121.9 Ų | 121.9 | 100% | 1.192 | 66% | 0.66 | S | S | * | * | trans | -100.3 | 0 | 177.8 | 176.7 | 177.5 | 164.8 | 159.1 | -2.1 | 110.3 |
Retrieved 60 of 60 residues in 80.7 ms
(Link to these results)