| 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 | 77.8 | Confident | 88.2 | Confident | 246 Ų | 246 | 139.3 Ų | 139.3 | 100% | 1.212 | 66% | 0.661 | S | S | * | * | 0 | 127.4 | 0 | -172.6 | 179.7 | -105.4 | 0 | 0 | 108.3 | |||||
| 2 | T | 90.5 | Very high | 87.9 | Confident | 136 Ų | 136 | 134.9 Ų | 134.9 | 83% | 0.834 | 64% | 0.638 | S | S | * | * | trans | -87.9 | 147.9 | -177 | 52.9 | 0 | 0 | 0 | 0 | 111.8 | K4 | T2-K4 PolarHBondContact O-N 3.31Š| ||
| 3 | R | 89.6 | Confident | 87.8 | Confident | 160 Ų | 160 | 137.9 Ų | 137.9 | 60% | 0.604 | 65% | 0.647 | S | S | * | * | trans | -77.1 | 105.2 | 176 | -176.6 | -178.6 | -178 | -166.6 | 11 | 109.7 | R5 R6 H8 | R3-R5 PolarHBondContact NE-O 2.78Å; R3-R5 PolarHBondContact O-N 2.95Å; R3-R6 PolarHBondContact NH2-O 3.25Å; R3-H8 PolarHBondContact NE-NE2 2.76Å | ||
| 4 | K | 91.9 | Very high | 87.5 | Confident | 201 Ų | 201 | 134.5 Ų | 134.5 | 87% | 0.874 | 67% | 0.667 | S | S | * | * | trans | -64.1 | -37.8 | -179.9 | -169.7 | 174.8 | -179.1 | 170.9 | 0 | 114.1 | T2 | T2-K4 PolarHBondContact O-N 3.31Š| ||
| 5 | R | 90.9 | Very high | 87 | Confident | 176 Ų | 176 | 135 Ų | 135 | 66% | 0.664 | 66% | 0.658 | S | S | * | * | trans | -145.5 | 144.2 | -176.5 | -57.6 | -178.7 | 82.3 | 129.8 | -0.1 | 112.1 | R3 N7 H8 | R3-R5 PolarHBondContact NE-O 2.78Å; R3-R5 PolarHBondContact O-N 2.95Å; R5-N7 VanDerWaalsContact C-N 3.34Å; R5-N7 PolarHBondContact O-N 3.21Å; R5-H8 PolarHBondContact O-N 3.48Å | ||
| 6 | R | 89.9 | Confident | 87 | Confident | 207 Ų | 207 | 129.8 Ų | 129.8 | 78% | 0.781 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.3 | -45.3 | 177.3 | -167 | 175.7 | -175.2 | 160.7 | 1.4 | 112.5 | R3 | R3-R6 PolarHBondContact NH2-O 3.25Š|
| 7 | N | 87.8 | Confident | 87 | Confident | 102 Ų | 102 | 130.1 Ų | 130.1 | 55% | 0.545 | 65% | 0.649 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.2 | 5.1 | -176.3 | -65.3 | -14.8 | 0 | 0 | 0 | 114.7 | R5 G9 R10 | R5-N7 VanDerWaalsContact C-N 3.34Å; R5-N7 PolarHBondContact O-N 3.21Å; N7-G9 PolarHBondContact O-N 3.42Å; N7-R10 PolarHBondContact O-N 3.12Å |
| 8 | H | 87.7 | Confident | 87.1 | Confident | 118 Ų | 118 | 124.1 Ų | 124.1 | 55% | 0.546 | 62% | 0.62 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 54.1 | 16.9 | -176.1 | -55.8 | -87.1 | 0 | 0 | 0 | 115.6 | R3 R5 R10 | R3-H8 PolarHBondContact NE-NE2 2.76Å; R5-H8 PolarHBondContact O-N 3.48Å; H8-R10 VanDerWaalsContact C-N 3.32Å |
| 9 | G | 86.1 | Confident | 87.2 | Confident | 45 Ų | 45 | 120.3 Ų | 120.3 | 46% | 0.464 | 62% | 0.616 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 70.6 | 24.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | N7 | N7-G9 PolarHBondContact O-N 3.42Š|
| 10 | R | 90.5 | Very high | 87.5 | Confident | 74 Ų | 74 | 120.6 Ų | 120.6 | 28% | 0.279 | 61% | 0.612 | S | S | . | * | trans | -126.2 | 137.6 | -174.2 | -72.4 | -169.3 | 73.7 | 167.7 | 7.2 | 111.2 | N7 H8 K12 D33 K34 | N7-R10 PolarHBondContact O-N 3.12Å; H8-R10 VanDerWaalsContact C-N 3.32Å; R10-K12 HydrophobicContact CB-CB 4.28Å; R10-K12 PolarHBondContact O-N 3.4Å; R10-D33 WeakPolarHBondContact CB-OD2 3.46Å; R10-D33 VanDerWaalsContact CG-OD2 3.27Å; R10-D33 WeakPolarHBondContact CG-OD2 3.36Å; R10-D33 IonicContact CZ-OD1 3.68Å; R10-D33 IonicContact CZ-OD2 3.44Å; R10-D33 IonicContact NE-OD1 3.67Å; R10-D33 IonicContact NE-OD2 2.67Å; R10-D33 PolarHBondContact NE-OD2 3.23Å; R10-D33 IonicContact NH2-OD1 2.82Å; R10-D33 PolarHBondContact NH2-OD1 2.9Å; R10-D33 IonicContact NH2-OD2 3.35Å; R10-D33 PolarHBondContact NH2-OD2 3.33Å; R10-K34 HydrophobicContact CG-CB 4.27Å; R10-K34 HydrophobicContact CG-CD 4.16Å; R10-K34 HydrophobicContact CG-CG 4.24Å | ||
| 11 | S | 87.4 | Confident | 87.7 | Confident | 67 Ų | 67 | 118.4 Ų | 118.4 | 47% | 0.469 | 60% | 0.602 | S | S | . | * | trans | -87.5 | 55.5 | 167.8 | -168 | 0 | 0 | 0 | 0 | 110.9 | R15 D33 | S11-R15 PolarHBondContact O-NH2 3.3Å; S11-D33 PolarHBondContact N-O 2.73Å; S11-D33 VanDerWaalsContact N-O 3.15Å | ||
| 12 | K | 84.5 | Confident | 88.5 | Confident | 87 Ų | 87 | 115.1 Ų | 115.1 | 38% | 0.378 | 58% | 0.576 | S | S | . | * | trans | -113.9 | 82.1 | -179 | -173.9 | 169.5 | 156 | 159.3 | 0 | 109.2 | R10 R15 G16 | R10-K12 HydrophobicContact CB-CB 4.28Å; R10-K12 PolarHBondContact O-N 3.4Å; K12-R15 WeakPolarHBondContact CE-O 3.23Å; K12-R15 WeakPolarHBondContact CG-O 3.41Å; K12-G16 WeakPolarHBondContact CD-O 3.5Å; K12-G16 WeakPolarHBondContact CE-O 3.14Å; K12-G16 PolarHBondContact NZ-O 3.39Å | ||
| 13 | K | 86.2 | Confident | 88.7 | Confident | 174 Ų | 174 | 110.8 Ų | 110.8 | 76% | 0.757 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -105.4 | 97.2 | 176.9 | -62.6 | -176.2 | -178.6 | -179 | 0 | 109 | R15 | K13-R15 PolarHBondContact O-N 2.98Å; K13-R15 VanDerWaalsContact O-N 3.07Å |
| 14 | G | 84.2 | Confident | 88.8 | Confident | 90 Ų | 90 | 109.7 Ų | 109.7 | 93% | 0.928 | 56% | 0.562 | S | S | * | * | S | Bend | trans | 71.4 | -2.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 15 | R | 80.7 | Confident | 88.9 | Confident | 142 Ų | 142 | 107.3 Ų | 107.3 | 54% | 0.536 | 56% | 0.559 | S | S | . | * | trans | -81.3 | 136.6 | 171.8 | -63.5 | -165.9 | -72.6 | -139.4 | 0.2 | 109.7 | S11 K12 K13 V18 | S11-R15 PolarHBondContact O-NH2 3.3Å; K12-R15 WeakPolarHBondContact CE-O 3.23Å; K12-R15 WeakPolarHBondContact CG-O 3.41Å; K13-R15 PolarHBondContact O-N 2.98Å; K13-R15 VanDerWaalsContact O-N 3.07Å; R15-V18 HydrophobicContact CB-CG2 4.36Å | ||
| 16 | G | 86.2 | Confident | 89.1 | Confident | 52 Ų | 52 | 103.2 Ų | 103.2 | 54% | 0.536 | 56% | 0.556 | S | S | . | * | trans | -69 | -128.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K12 | K12-G16 WeakPolarHBondContact CD-O 3.5Å; K12-G16 WeakPolarHBondContact CE-O 3.14Å; K12-G16 PolarHBondContact NZ-O 3.39Å | ||
| 17 | H | 87.4 | Confident | 89.2 | Confident | 134 Ų | 134 | 95.1 Ų | 95.1 | 62% | 0.62 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -72 | 132.9 | 172.8 | -166.3 | -80.2 | 0 | 0 | 0 | 110.2 | F20 | H17-F20 AromaticContact CE1-CD2 3.75Å; H17-F20 AromaticContact CE1-CE2 3.13Å; H17-F20 WeakPolarHBondContact CE1-CE2 3.2Å; H17-F20 AromaticContact CE1-CZ 3.35Å; H17-F20 WeakPolarHBondContact CE1-CZ 3.46Å; H17-F20 AromaticContact NE2-CE2 3.35Å; H17-F20 VanDerWaalsContact NE2-CE2 3.35Å; H17-F20 WeakPolarHBondContact NE2-CE2 3.38Å; H17-F20 AromaticContact NE2-CZ 3.14Å; H17-F20 WeakPolarHBondContact NE2-CZ 3.31Å |
| 18 | V | 88 | Confident | 89.4 | Confident | 22 Ų | 22 | 99 Ų | 99 | 13% | 0.133 | 54% | 0.544 | C | S | . | . | P | Polyproline II helix | trans | -103.2 | 140.4 | 177 | -178.5 | 0 | 0 | 0 | 0 | 107.8 | R15 K32 | R15-V18 HydrophobicContact CB-CG2 4.36Å; V18-K32 HydrophobicContact CG1-CB 3.92Å |
| 19 | G | 90.4 | Very high | 89.7 | Confident | 52 Ų | 52 | 95.5 Ų | 95.5 | 54% | 0.536 | 54% | 0.535 | S | S | . | . | P | Polyproline II helix | trans | -50.9 | 144.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | K32 | G19-K32 PolarHBondContact O-N 3.13Å; G19-K32 VanDerWaalsContact O-N 3.16Å |
| 20 | F | 92.3 | Very high | 89.9 | Confident | 126 Ų | 126 | 95.5 Ų | 95.5 | 55% | 0.553 | 53% | 0.527 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 146.7 | 177 | -66.4 | -71.5 | 0 | 0 | 0 | 111.3 | H17 P31 | H17-F20 AromaticContact CE1-CD2 3.75Å; H17-F20 AromaticContact CE1-CE2 3.13Å; H17-F20 WeakPolarHBondContact CE1-CE2 3.2Å; H17-F20 AromaticContact CE1-CZ 3.35Å; H17-F20 WeakPolarHBondContact CE1-CZ 3.46Å; H17-F20 AromaticContact NE2-CE2 3.35Å; H17-F20 VanDerWaalsContact NE2-CE2 3.35Å; H17-F20 WeakPolarHBondContact NE2-CE2 3.38Å; H17-F20 AromaticContact NE2-CZ 3.14Å; H17-F20 WeakPolarHBondContact NE2-CZ 3.31Å; F20-P31 HydrophobicContact CD1-CB 4.29Å; F20-P31 HydrophobicContact CE1-CB 4.3Å |
| 21 | I | 92.4 | Very high | 89.9 | Confident | 75 Ų | 75 | 93 Ų | 93 | 39% | 0.385 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 146.6 | 170.9 | -62.1 | 177.2 | 0 | 0 | 0 | 107.7 | C30 K32 | I21-C30 PolarHBondContact N-O 3.13Å; I21-C30 PolarHBondContact O-N 3.49Å; I21-C30 VanDerWaalsContact O-O 3.06Å; I21-K32 HydrophobicContact CD1-CB 3.61Å; I21-K32 HydrophobicContact CD1-CD 3.94Å; I21-K32 HydrophobicContact CD1-CG 3.53Å; I21-K32 HydrophobicContact CG1-CB 4.07Å; I21-K32 HydrophobicContact CG1-CG 4.48Å |
| 22 | R | 94.4 | Very high | 90.1 | Very high | 177 Ų | 177 | 96.3 Ų | 96.3 | 67% | 0.668 | 53% | 0.527 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 133.1 | 175.2 | -66.3 | -72.3 | -176.9 | 170.9 | 3.5 | 110.1 | G27 | R22-G27 WeakPolarHBondContact CD-O 3.28Å; R22-G27 PolarHBondContact NH1-O 3.21Å |
| 23 | C | 93.8 | Very high | 90.4 | Very high | 46 Ų | 46 | 93.1 Ų | 93.1 | 31% | 0.311 | 51% | 0.514 | S | S | . | . | trans | -65.7 | 137.3 | 173.7 | -178.1 | 0 | 0 | 0 | 0 | 110.7 | N25 G27 R28 | C23-N25 VanDerWaalsContact C-N 3.31Å; C23-N25 PolarHBondContact O-N 3.45Å; C23-G27 VanDerWaalsContact O-CA 3.28Å; C23-G27 WeakPolarHBondContact O-CA 3.11Å; C23-G27 PolarHBondContact O-N 3.08Å; C23-R28 PolarHBondContact N-O 3.11Å | ||
| 24 | T | 92.6 | Very high | 90.6 | Very high | 137 Ų | 137 | 90.4 Ų | 90.4 | 84% | 0.84 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -31.4 | 178.5 | 52.6 | 0 | 0 | 0 | 0 | 113.2 | ||
| 25 | N | 93.5 | Very high | 90.9 | Very high | 151 Ų | 151 | 88 Ų | 88 | 81% | 0.807 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -37.2 | -172.9 | -62.2 | 6.2 | 0 | 0 | 0 | 112.7 | C23 | C23-N25 VanDerWaalsContact C-N 3.31Å; C23-N25 PolarHBondContact O-N 3.45Å |
| 26 | C | 94.5 | Very high | 91.3 | Very high | 90 Ų | 90 | 88.2 Ų | 88.2 | 61% | 0.608 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.1 | -1.2 | -172.7 | 64.4 | 0 | 0 | 0 | 0 | 114.6 | R28 | C26-R28 PolarHBondContact O-N 3.35Š|
| 27 | G | 91.9 | Very high | 91.4 | Very high | 36 Ų | 36 | 95.5 Ų | 95.5 | 37% | 0.371 | 50% | 0.499 | S | S | . | . | trans | 65.8 | 2.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | R22 C23 | R22-G27 WeakPolarHBondContact CD-O 3.28Å; R22-G27 PolarHBondContact NH1-O 3.21Å; C23-G27 VanDerWaalsContact O-CA 3.28Å; C23-G27 WeakPolarHBondContact O-CA 3.11Å; C23-G27 PolarHBondContact O-N 3.08Å | ||
| 28 | R | 93.8 | Very high | 91.7 | Very high | 185 Ų | 185 | 97.3 Ų | 97.3 | 70% | 0.698 | 51% | 0.505 | S | S | * | . | trans | -65.7 | 139.5 | -179.8 | -167.7 | 171.7 | -177.5 | 173.4 | 3 | 110.8 | C23 C26 C30 | C23-R28 PolarHBondContact N-O 3.11Å; C26-R28 PolarHBondContact O-N 3.35Å; R28-C30 PolarHBondContact O-N 3.23Å | ||
| 29 | A | 93.2 | Very high | 91.9 | Very high | 43 Ų | 43 | 102.8 Ų | 102.8 | 36% | 0.355 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 119.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 30 | C | 90.2 | Very high | 92 | Very high | 45 Ų | 45 | 103.6 Ų | 103.6 | 30% | 0.304 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 137.6 | 176.2 | -71.6 | 0 | 0 | 0 | 0 | 108.7 | I21 R28 | I21-C30 PolarHBondContact N-O 3.13Å; I21-C30 PolarHBondContact O-N 3.49Å; I21-C30 VanDerWaalsContact O-O 3.06Å; R28-C30 PolarHBondContact O-N 3.23Å |
| 31 | P | 91.3 | Very high | 92 | Very high | 22 Ų | 22 | 103.7 Ų | 103.7 | 14% | 0.143 | 54% | 0.538 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 138.2 | 175.7 | 27.9 | -31.6 | 0 | 0 | 0 | 109.8 | F20 D33 K34 S35 | F20-P31 HydrophobicContact CD1-CB 4.29Å; F20-P31 HydrophobicContact CE1-CB 4.3Å; P31-D33 PolarHBondContact O-N 3.1Å; P31-K34 HydrophobicContact CG-CB 3.75Å; P31-K34 HydrophobicContact CG-CD 4.46Å; P31-K34 PolarHBondContact O-N 2.69Å; P31-S35 PolarHBondContact O-N 3.47Å; P31-S35 VanDerWaalsContact O-N 3.08Å |
| 32 | K | 90.3 | Very high | 91.9 | Very high | 137 Ų | 137 | 110 Ų | 110 | 60% | 0.596 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.6 | -32.9 | -176.2 | 178.2 | 173.6 | -174.4 | 178.3 | 0 | 113.7 | V18 G19 I21 K34 S35 | V18-K32 HydrophobicContact CG1-CB 3.92Å; G19-K32 PolarHBondContact O-N 3.13Å; G19-K32 VanDerWaalsContact O-N 3.16Å; I21-K32 HydrophobicContact CD1-CB 3.61Å; I21-K32 HydrophobicContact CD1-CD 3.94Å; I21-K32 HydrophobicContact CD1-CG 3.53Å; I21-K32 HydrophobicContact CG1-CB 4.07Å; I21-K32 HydrophobicContact CG1-CG 4.48Å; K32-K34 PolarHBondContact O-N 3.45Å; K32-S35 PolarHBondContact O-OG 3.45Å |
| 33 | D | 90.2 | Very high | 91.7 | Very high | 19 Ų | 19 | 106 Ų | 106 | 10% | 0.102 | 56% | 0.556 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -77.7 | -8.7 | -178.9 | 66.8 | -84 | 0 | 0 | 0 | 114.1 | R10 S11 P31 | R10-D33 WeakPolarHBondContact CB-OD2 3.46Å; R10-D33 VanDerWaalsContact CG-OD2 3.27Å; R10-D33 WeakPolarHBondContact CG-OD2 3.36Å; R10-D33 IonicContact CZ-OD1 3.68Å; R10-D33 IonicContact CZ-OD2 3.44Å; R10-D33 IonicContact NE-OD1 3.67Å; R10-D33 IonicContact NE-OD2 2.67Å; R10-D33 PolarHBondContact NE-OD2 3.23Å; R10-D33 IonicContact NH2-OD1 2.82Å; R10-D33 PolarHBondContact NH2-OD1 2.9Å; R10-D33 IonicContact NH2-OD2 3.35Å; R10-D33 PolarHBondContact NH2-OD2 3.33Å; S11-D33 PolarHBondContact N-O 2.73Å; S11-D33 VanDerWaalsContact N-O 3.15Å; P31-D33 PolarHBondContact O-N 3.1Å |
| 34 | K | 91.3 | Very high | 91.4 | Very high | 118 Ų | 118 | 113.3 Ų | 113.3 | 51% | 0.513 | 59% | 0.588 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -114.8 | -9.1 | 176.2 | -156.7 | 174.6 | -157.6 | -176.9 | 0 | 112.7 | R10 P31 K32 | R10-K34 HydrophobicContact CG-CB 4.27Å; R10-K34 HydrophobicContact CG-CD 4.16Å; R10-K34 HydrophobicContact CG-CG 4.24Å; P31-K34 HydrophobicContact CG-CB 3.75Å; P31-K34 HydrophobicContact CG-CD 4.46Å; P31-K34 PolarHBondContact O-N 2.69Å; K32-K34 PolarHBondContact O-N 3.45Å |
| 35 | S | 90.3 | Very high | 91.2 | Very high | 38 Ų | 38 | 109.1 Ų | 109.1 | 27% | 0.266 | 56% | 0.562 | S | S | . | * | trans | -66.8 | 136.6 | 178 | 54.4 | 0 | 0 | 0 | 0 | 110.2 | P31 K32 W37 | P31-S35 PolarHBondContact O-N 3.47Å; P31-S35 VanDerWaalsContact O-N 3.08Å; K32-S35 PolarHBondContact O-OG 3.45Å; S35-W37 PolarHBondContact O-N 3.46Å | ||
| 36 | V | 90.2 | Very high | 91 | Very high | 147 Ų | 147 | 107.6 Ų | 107.6 | 89% | 0.891 | 55% | 0.55 | S | S | * | * | trans | -83.8 | 109.3 | 167.2 | -177.7 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 37 | W | 88.3 | Confident | 90.7 | Very high | 205 Ų | 205 | 107.1 Ų | 107.1 | 78% | 0.777 | 55% | 0.553 | S | S | * | * | trans | -95.3 | 141.5 | 174.2 | 70.1 | -81.2 | 0 | 0 | 0 | 108.8 | S35 L39 | S35-W37 PolarHBondContact O-N 3.46Å; W37-L39 HydrophobicContact CE3-CB 4.4Å; W37-L39 HydrophobicContact CZ3-CB 3.9Å | ||
| 38 | K | 92.5 | Very high | 90.6 | Very high | 173 Ų | 173 | 108.7 Ų | 108.7 | 75% | 0.752 | 56% | 0.562 | S | S | * | * | trans | -132.1 | 115.5 | 175.3 | -170.2 | -175.9 | -179.3 | 179.9 | 0 | 107.2 | V40 | K38-V40 HydrophobicContact CB-CG2 4.34Å; K38-V40 HydrophobicContact CD-CG2 3.63Å; K38-V40 HydrophobicContact CG-CG2 3.65Å | ||
| 39 | L | 93.1 | Very high | 90.4 | Very high | 137 Ų | 137 | 101.3 Ų | 101.3 | 72% | 0.717 | 54% | 0.541 | S | S | * | . | trans | -78.5 | 119.6 | 166.9 | -176.1 | 67.6 | 0 | 0 | 0 | 107.3 | W37 | W37-L39 HydrophobicContact CE3-CB 4.4Å; W37-L39 HydrophobicContact CZ3-CB 3.9Å | ||
| 40 | V | 92.8 | Very high | 90.1 | Very high | 68 Ų | 68 | 102 Ų | 102 | 41% | 0.412 | 54% | 0.541 | S | S | . | . | trans | -120.6 | 99.7 | 176.7 | -168.3 | 0 | 0 | 0 | 0 | 107.1 | K38 R42 | K38-V40 HydrophobicContact CB-CG2 4.34Å; K38-V40 HydrophobicContact CD-CG2 3.63Å; K38-V40 HydrophobicContact CG-CG2 3.65Å; V40-R42 HydrophobicContact CG1-CG 3.78Å; V40-R42 PolarHBondContact O-N 3.33Å | ||
| 41 | T | 91.7 | Very high | 89.8 | Confident | 129 Ų | 129 | 106.4 Ų | 106.4 | 79% | 0.791 | 56% | 0.555 | S | S | * | * | trans | -79.9 | 115.1 | 168.6 | -49.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 42 | R | 90.7 | Very high | 89.7 | Confident | 207 Ų | 207 | 110.8 Ų | 110.8 | 78% | 0.781 | 58% | 0.577 | S | S | * | * | trans | -115.8 | 145.2 | 171.1 | -63.5 | -176.4 | 168.8 | 153 | -6.6 | 107.7 | V40 | V40-R42 HydrophobicContact CG1-CG 3.78Å; V40-R42 PolarHBondContact O-N 3.33Å | ||
| 43 | S | 88.9 | Confident | 89.5 | Confident | 92 Ų | 92 | 108.9 Ų | 108.9 | 64% | 0.643 | 57% | 0.573 | S | S | * | * | trans | -55.7 | 146.4 | 165 | 48.9 | 0 | 0 | 0 | 0 | 109.1 | V45 | S43-V45 VanDerWaalsContact CB-O 3.31Å; S43-V45 WeakPolarHBondContact CB-O 3.27Å; S43-V45 PolarHBondContact O-N 3.22Å; S43-V45 PolarHBondContact OG-O 2.62Å | ||
| 44 | M | 87.8 | Confident | 89.3 | Confident | 200 Ų | 200 | 113.7 Ų | 113.7 | 99% | 0.985 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -65.1 | -32.9 | 175.2 | -65.9 | -173.1 | -70.1 | 0 | 0 | 111.1 | ||
| 45 | V | 88.8 | Confident | 89 | Confident | 49 Ų | 49 | 113.9 Ų | 113.9 | 30% | 0.297 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -101.1 | 140 | 179.9 | -172 | 0 | 0 | 0 | 0 | 109.3 | S43 A49 V50 L53 | S43-V45 VanDerWaalsContact CB-O 3.31Å; S43-V45 WeakPolarHBondContact CB-O 3.27Å; S43-V45 PolarHBondContact O-N 3.22Å; S43-V45 PolarHBondContact OG-O 2.62Å; V45-A49 HydrophobicContact CG1-CB 3.86Å; V45-V50 HydrophobicContact CB-CG2 4.24Å; V45-V50 HydrophobicContact CG1-CG2 3.96Å; V45-L53 HydrophobicContact CB-CD1 4.22Å; V45-L53 HydrophobicContact CG1-CD1 3.46Å; V45-L53 VanDerWaalsContact CG1-CD1 3.46Å; V45-L53 HydrophobicContact CG1-CG 4.49Å; V45-L53 HydrophobicContact CG2-CD1 3.62Å |
| 46 | E | 89.7 | Confident | 88.9 | Confident | 119 Ų | 119 | 116.2 Ų | 116.2 | 56% | 0.556 | 62% | 0.623 | S | S | * | * | trans | -66.6 | 146.4 | 170.5 | -172.8 | -75.5 | 134.7 | 0 | 0 | 110.1 | A48 A49 V50 | E46-A48 VanDerWaalsContact C-N 3.3Å; E46-A48 VanDerWaalsContact CD-N 3.27Å; E46-A48 PolarHBondContact O-N 3.08Å; E46-A48 PolarHBondContact OE1-N 2.92Å; E46-A48 VanDerWaalsContact OE1-N 3.13Å; E46-A48 WeakPolarHBondContact OE2-CA 3.2Å; E46-A48 WeakPolarHBondContact OE2-CB 3.08Å; E46-A48 PolarHBondContact OE2-N 3.43Å; E46-A49 HydrophobicContact CB-CB 4.49Å; E46-A49 PolarHBondContact O-N 3.18Å; E46-A49 VanDerWaalsContact O-N 3.1Å; E46-A49 PolarHBondContact OE2-N 2.75Å; E46-A49 VanDerWaalsContact OE2-N 3.13Å; E46-V50 WeakPolarHBondContact O-CG2 3.5Å; E46-V50 PolarHBondContact O-N 2.92Å | ||
| 47 | A | 87.7 | Confident | 88.7 | Confident | 80 Ų | 80 | 110.9 Ų | 110.9 | 66% | 0.661 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -34.1 | -167.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 48 | A | 89.6 | Confident | 88.5 | Confident | 69 Ų | 69 | 107.4 Ų | 107.4 | 57% | 0.57 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -36.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E46 V50 | E46-A48 VanDerWaalsContact C-N 3.3Å; E46-A48 VanDerWaalsContact CD-N 3.27Å; E46-A48 PolarHBondContact O-N 3.08Å; E46-A48 PolarHBondContact OE1-N 2.92Å; E46-A48 VanDerWaalsContact OE1-N 3.13Å; E46-A48 WeakPolarHBondContact OE2-CA 3.2Å; E46-A48 WeakPolarHBondContact OE2-CB 3.08Å; E46-A48 PolarHBondContact OE2-N 3.43Å; A48-V50 VanDerWaalsContact C-N 3.25Å; A48-V50 PolarHBondContact O-N 2.95Å |
| 49 | A | 89.6 | Confident | 88 | Confident | 31 Ų | 31 | 106.5 Ų | 106.5 | 26% | 0.256 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -73.3 | -10.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | V45 E46 K51 D52 L53 | V45-A49 HydrophobicContact CG1-CB 3.86Å; E46-A49 HydrophobicContact CB-CB 4.49Å; E46-A49 PolarHBondContact O-N 3.18Å; E46-A49 VanDerWaalsContact O-N 3.1Å; E46-A49 PolarHBondContact OE2-N 2.75Å; E46-A49 VanDerWaalsContact OE2-N 3.13Å; A49-K51 VanDerWaalsContact C-N 3.31Å; A49-K51 PolarHBondContact O-N 2.67Å; A49-D52 PolarHBondContact O-N 3.15Å; A49-L53 WeakPolarHBondContact O-CB 2.96Å; A49-L53 WeakPolarHBondContact O-CG 3.1Å; A49-L53 PolarHBondContact O-N 3.37Å; A49-L53 VanDerWaalsContact O-N 3.08Å |
| 50 | V | 86.9 | Confident | 87.1 | Confident | 57 Ų | 57 | 104.3 Ų | 104.3 | 35% | 0.345 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -57.4 | -46.6 | 179.9 | 178 | 0 | 0 | 0 | 0 | 110.9 | V45 E46 A48 L53 E54 | V45-V50 HydrophobicContact CB-CG2 4.24Å; V45-V50 HydrophobicContact CG1-CG2 3.96Å; E46-V50 WeakPolarHBondContact O-CG2 3.5Å; E46-V50 PolarHBondContact O-N 2.92Å; A48-V50 VanDerWaalsContact C-N 3.25Å; A48-V50 PolarHBondContact O-N 2.95Å; V50-L53 PolarHBondContact O-N 2.88Å; V50-E54 WeakPolarHBondContact CG1-OE1 3.35Å; V50-E54 WeakPolarHBondContact O-CG 3.35Å; V50-E54 PolarHBondContact O-N 3.35Å |
| 51 | K | 84.9 | Confident | 86.1 | Confident | 138 Ų | 138 | 105.7 Ų | 105.7 | 60% | 0.6 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -68.5 | -43.1 | -177.2 | -177.4 | 166.9 | 177.8 | 144.5 | 0 | 112.6 | A49 L53 E54 D55 | A49-K51 VanDerWaalsContact C-N 3.31Å; A49-K51 PolarHBondContact O-N 2.67Å; K51-L53 PolarHBondContact O-N 3.06Å; K51-E54 PolarHBondContact O-N 3.16Å; K51-D55 PolarHBondContact O-N 3.47Å |
| 52 | D | 88.3 | Confident | 84.9 | Confident | 113 Ų | 113 | 107.1 Ų | 107.1 | 60% | 0.604 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62.4 | -36.4 | 178.5 | -62.3 | -43.6 | 0 | 0 | 0 | 111.4 | A49 A56 | A49-D52 PolarHBondContact O-N 3.15Å; D52-A56 VanDerWaalsContact O-CB 3.23Å; D52-A56 WeakPolarHBondContact O-CB 3.14Å; D52-A56 PolarHBondContact O-N 2.82Å; D52-A56 VanDerWaalsContact O-N 3.11Å |
| 53 | L | 86.4 | Confident | 83.4 | Confident | 98 Ų | 98 | 108.7 Ų | 108.7 | 51% | 0.513 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -72.1 | -39.4 | 175.3 | -73.4 | -179.5 | 0 | 0 | 0 | 112.6 | V45 A49 V50 K51 A56 S57 | V45-L53 HydrophobicContact CB-CD1 4.22Å; V45-L53 HydrophobicContact CG1-CD1 3.46Å; V45-L53 VanDerWaalsContact CG1-CD1 3.46Å; V45-L53 HydrophobicContact CG1-CG 4.49Å; V45-L53 HydrophobicContact CG2-CD1 3.62Å; A49-L53 WeakPolarHBondContact O-CB 2.96Å; A49-L53 WeakPolarHBondContact O-CG 3.1Å; A49-L53 PolarHBondContact O-N 3.37Å; A49-L53 VanDerWaalsContact O-N 3.08Å; V50-L53 PolarHBondContact O-N 2.88Å; K51-L53 PolarHBondContact O-N 3.06Å; L53-A56 PolarHBondContact O-N 2.82Å; L53-S57 WeakPolarHBondContact O-CB 3.13Å; L53-S57 PolarHBondContact O-N 3.42Å; L53-S57 PolarHBondContact O-OG 2.98Å |
| 54 | E | 86.1 | Confident | 83.1 | Confident | 120 Ų | 120 | 109.5 Ų | 109.5 | 56% | 0.561 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -60.5 | -48.7 | 175.1 | -75.7 | 172.8 | -180 | 0 | 0 | 110.9 | V50 K51 A56 S57 | V50-E54 WeakPolarHBondContact CG1-OE1 3.35Å; V50-E54 WeakPolarHBondContact O-CG 3.35Å; V50-E54 PolarHBondContact O-N 3.35Å; K51-E54 PolarHBondContact O-N 3.16Å; E54-A56 PolarHBondContact O-N 3.07Å; E54-S57 PolarHBondContact O-N 3.23Å; E54-S57 PolarHBondContact O-OG 2.96Å |
| 55 | D | 85.7 | Confident | 82.8 | Confident | 122 Ų | 122 | 104.7 Ų | 104.7 | 65% | 0.652 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66 | -33.7 | -179.2 | -71.4 | -22.8 | 0 | 0 | 0 | 112.8 | K51 S57 | K51-D55 PolarHBondContact O-N 3.47Å; D55-S57 VanDerWaalsContact C-N 3.32Å |
| 56 | A | 88 | Confident | 82.5 | Confident | 86 Ų | 86 | 107.8 Ų | 107.8 | 71% | 0.711 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114 | D52 L53 E54 | D52-A56 VanDerWaalsContact O-CB 3.23Å; D52-A56 WeakPolarHBondContact O-CB 3.14Å; D52-A56 PolarHBondContact O-N 2.82Å; D52-A56 VanDerWaalsContact O-N 3.11Å; L53-A56 PolarHBondContact O-N 2.82Å; E54-A56 PolarHBondContact O-N 3.07Å |
| 57 | S | 86.1 | Confident | 82.1 | Confident | 35 Ų | 35 | 107.2 Ų | 107.2 | 25% | 0.245 | 62% | 0.624 | C | S | . | * | trans | -96.8 | 146.9 | -170.8 | 72.3 | 0 | 0 | 0 | 0 | 113.5 | L53 E54 D55 Y59 W62 | L53-S57 WeakPolarHBondContact O-CB 3.13Å; L53-S57 PolarHBondContact O-N 3.42Å; L53-S57 PolarHBondContact O-OG 2.98Å; E54-S57 PolarHBondContact O-N 3.23Å; E54-S57 PolarHBondContact O-OG 2.96Å; D55-S57 VanDerWaalsContact C-N 3.32Å; S57-Y59 VanDerWaalsContact C-N 3.35Å; S57-Y59 PolarHBondContact O-N 3.37Å; S57-Y59 PolarHBondContact OG-O 2.83Å; S57-W62 PolarHBondContact OG-NE1 2.84Å | ||
| 58 | V | 84.1 | Confident | 81.7 | Confident | 133 Ų | 133 | 108.9 Ų | 108.9 | 81% | 0.806 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -72.3 | -28.6 | -174.7 | 178.4 | 0 | 0 | 0 | 0 | 112.7 | ||
| 59 | Y | 80.8 | Confident | 81.2 | Confident | 153 Ų | 153 | 111.5 Ų | 111.5 | 60% | 0.6 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -109.5 | 134.9 | -178 | -59.9 | -102.9 | 0 | 0 | 0 | 108.7 | S57 S61 W62 | S57-Y59 VanDerWaalsContact C-N 3.35Å; S57-Y59 PolarHBondContact O-N 3.37Å; S57-Y59 PolarHBondContact OG-O 2.83Å; Y59-S61 PolarHBondContact O-N 2.72Å; Y59-S61 VanDerWaalsContact O-N 3.12Å; Y59-W62 AromaticContact CD2-CH2 2.97Å; Y59-W62 HydrophobicContact CD2-CH2 2.97Å; Y59-W62 AromaticContact CD2-CZ2 3.28Å; Y59-W62 HydrophobicContact CD2-CZ2 3.28Å; Y59-W62 AromaticContact CD2-CZ3 3.68Å; Y59-W62 HydrophobicContact CD2-CZ3 3.68Å; Y59-W62 AromaticContact CE2-CH2 3.6Å; Y59-W62 HydrophobicContact CE2-CH2 3.6Å; Y59-W62 HydrophobicContact CE2-CZ2 4.27Å; Y59-W62 HydrophobicContact CE2-CZ3 4.2Å; Y59-W62 AromaticContact CG-CH2 3.77Å; Y59-W62 HydrophobicContact CG-CH2 3.77Å; Y59-W62 AromaticContact CG-CZ2 3.86Å; Y59-W62 HydrophobicContact CG-CZ2 3.86Å; Y59-W62 HydrophobicContact CG-CZ3 4.17Å; Y59-W62 PolarHBondContact O-NE1 2.91Å |
| 60 | G | 73.8 | Confident | 80.6 | Confident | 92 Ų | 92 | 117.3 Ų | 117.3 | 95% | 0.948 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -72.5 | -0.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 61 | S | 73.4 | Confident | 80.1 | Confident | 97 Ų | 97 | 121.9 Ų | 121.9 | 68% | 0.678 | 68% | 0.675 | S | S | * | * | trans | -152.7 | 123.2 | 178.7 | 61.8 | 0 | 0 | 0 | 0 | 110.2 | Y59 | Y59-S61 PolarHBondContact O-N 2.72Å; Y59-S61 VanDerWaalsContact O-N 3.12Å | ||
| 62 | W | 66.5 | Low | 79.7 | Confident | 159 Ų | 159 | 120.6 Ų | 120.6 | 60% | 0.602 | 68% | 0.681 | S | S | * | * | trans | -120.5 | 16.4 | 179.7 | -60.7 | 99.7 | 0 | 0 | 0 | 114 | S57 Y59 | S57-W62 PolarHBondContact OG-NE1 2.84Å; Y59-W62 AromaticContact CD2-CH2 2.97Å; Y59-W62 HydrophobicContact CD2-CH2 2.97Å; Y59-W62 AromaticContact CD2-CZ2 3.28Å; Y59-W62 HydrophobicContact CD2-CZ2 3.28Å; Y59-W62 AromaticContact CD2-CZ3 3.68Å; Y59-W62 HydrophobicContact CD2-CZ3 3.68Å; Y59-W62 AromaticContact CE2-CH2 3.6Å; Y59-W62 HydrophobicContact CE2-CH2 3.6Å; Y59-W62 HydrophobicContact CE2-CZ2 4.27Å; Y59-W62 HydrophobicContact CE2-CZ3 4.2Å; Y59-W62 AromaticContact CG-CH2 3.77Å; Y59-W62 HydrophobicContact CG-CH2 3.77Å; Y59-W62 AromaticContact CG-CZ2 3.86Å; Y59-W62 HydrophobicContact CG-CZ2 3.86Å; Y59-W62 HydrophobicContact CG-CZ3 4.17Å; Y59-W62 PolarHBondContact O-NE1 2.91Å | ||
| 63 | L | 57.4 | Low | 78.9 | Confident | 239 Ų | 239 | 121.3 Ų | 121.3 | 100% | 1.251 | 69% | 0.688 | S | S | * | * | trans | -134.5 | 0 | -175.3 | -113.8 | 145 | 0 | 0 | 0 | 111.4 |
Retrieved 63 of 63 residues in 58.3 ms
(Link to these results)