| 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 | 34.2 | Very low | 49.8 | Very low | 242 Ų | 242 | 160.8 Ų | 160.8 | 100% | 1.192 | 84% | 0.838 | S | S | * | * | 0 | 99.7 | 0 | -66.9 | -96.1 | -98.5 | 0 | 0 | 107.4 | |||||
| 2 | A | 40 | Very low | 50.4 | Low | 102 Ų | 102 | 154.6 Ų | 154.6 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | trans | -71.4 | 137.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R4 | A2-R4 PolarHBondContact O-N 3.34Š| ||
| 3 | R | 46.9 | Very low | 50.9 | Low | 235 Ų | 235 | 149 Ų | 149 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | trans | -63.5 | 127.4 | -176.5 | -75.5 | 178.9 | 139 | 168.6 | -5.7 | 110.9 | Q5 | R3-Q5 PolarHBondContact O-N 3.28Å; R3-Q5 VanDerWaalsContact O-N 3.13Å | ||
| 4 | R | 57.4 | Low | 51.7 | Low | 245 Ų | 245 | 146.4 Ų | 146.4 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | trans | -73.3 | 95.4 | 170.9 | -62.9 | -179.1 | -178.1 | -174.8 | 0.6 | 108.7 | A2 D6 | A2-R4 PolarHBondContact O-N 3.34Å; R4-D6 VanDerWaalsContact C-N 3.3Å; R4-D6 PolarHBondContact O-N 2.95Å | ||
| 5 | Q | 54.3 | Low | 52.3 | Low | 186 Ų | 186 | 150.9 Ų | 150.9 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | trans | -85.5 | 81.1 | 161.6 | -73.5 | -179.1 | 6.2 | 0 | 0 | 107.4 | R3 | R3-Q5 PolarHBondContact O-N 3.28Å; R3-Q5 VanDerWaalsContact O-N 3.13Å | ||
| 6 | D | 52.2 | Low | 52.9 | Low | 118 Ų | 118 | 146.9 Ų | 146.9 | 63% | 0.631 | 76% | 0.762 | S | S | * | * | trans | -104.1 | 75.9 | 167.8 | -139.5 | -80.3 | 0 | 0 | 0 | 106.3 | R4 K39 | R4-D6 VanDerWaalsContact C-N 3.3Å; R4-D6 PolarHBondContact O-N 2.95Å; D6-K39 IonicContact OD1-NZ 3.13Å; D6-K39 IonicContact OD2-NZ 3.27Å; D6-K39 PolarHBondContact OD2-NZ 3.02Å; D6-K39 VanDerWaalsContact OD2-NZ 3.14Å | ||
| 7 | E | 45.7 | Very low | 53.5 | Low | 181 Ų | 181 | 149.4 Ų | 149.4 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | trans | -108.5 | 84.5 | 165.8 | -162.5 | 170.9 | 103 | 0 | 0 | 107.2 | R9 | E7-R9 VanDerWaalsContact C-N 3.31Å; E7-R9 PolarHBondContact O-N 3.19Å | ||
| 8 | A | 57.9 | Low | 54.1 | Low | 83 Ų | 83 | 143.9 Ų | 143.9 | 69% | 0.686 | 76% | 0.756 | S | S | * | * | trans | -66.6 | 91.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | A10 | A8-A10 PolarHBondContact O-N 3.15Š| ||
| 9 | R | 51.4 | Low | 54.9 | Low | 205 Ų | 205 | 140.3 Ų | 140.3 | 77% | 0.774 | 74% | 0.741 | S | S | * | * | trans | -72.8 | 73.8 | 165.7 | -166.9 | 173.8 | 172.5 | -135.2 | -0.2 | 108.8 | E7 G11 | E7-R9 VanDerWaalsContact C-N 3.31Å; E7-R9 PolarHBondContact O-N 3.19Å; R9-G11 PolarHBondContact O-N 3.35Å | ||
| 10 | A | 53.4 | Low | 55.2 | Low | 99 Ų | 99 | 140.1 Ų | 140.1 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | 121.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | A8 | A8-A10 PolarHBondContact O-N 3.15Š|
| 11 | G | 54.3 | Low | 55.7 | Low | 73 Ų | 73 | 141 Ų | 141 | 75% | 0.753 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 128.1 | 2 | 161.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | R9 P13 | R9-G11 PolarHBondContact O-N 3.35Å; G11-P13 WeakPolarHBondContact O-CD 3.4Å |
| 12 | V | 57.1 | Low | 57.3 | Low | 86 Ų | 86 | 136.9 Ų | 136.9 | 52% | 0.521 | 73% | 0.729 | S | S | . | * | trans | -90.7 | 115.6 | 168.8 | -175.1 | 0 | 0 | 0 | 0 | 108.7 | L14 | V12-L14 PolarHBondContact O-N 2.76Š| ||
| 13 | P | 56.8 | Low | 58.9 | Low | 82 Ų | 82 | 138.3 Ų | 138.3 | 53% | 0.532 | 72% | 0.718 | S | S | . | * | trans | -57.9 | 132.5 | 169.1 | 23.2 | -29.7 | 0 | 0 | 0 | 108.1 | G11 R15 | G11-P13 WeakPolarHBondContact O-CD 3.4Å; P13-R15 VanDerWaalsContact C-N 3.29Å; P13-R15 PolarHBondContact O-N 3.31Å | ||
| 14 | L | 62.8 | Low | 60.3 | Low | 113 Ų | 113 | 131.2 Ų | 131.2 | 59% | 0.592 | 70% | 0.701 | S | S | * | * | trans | -58.6 | 94 | 176.4 | -168.1 | 78.6 | 0 | 0 | 0 | 107.9 | V12 V16 L49 | V12-L14 PolarHBondContact O-N 2.76Å; L14-V16 PolarHBondContact O-N 3.34Å; L14-L49 HydrophobicContact CD2-CD1 3.86Å | ||
| 15 | R | 60.4 | Low | 61.7 | Low | 214 Ų | 214 | 126.7 Ų | 126.7 | 81% | 0.808 | 69% | 0.69 | S | S | * | * | trans | -77.2 | 114.2 | 175.7 | -84.5 | -174.8 | 170.8 | -157.5 | -2.3 | 106.8 | P13 E17 | P13-R15 VanDerWaalsContact C-N 3.29Å; P13-R15 PolarHBondContact O-N 3.31Å; R15-E17 PolarHBondContact O-N 3.42Å | ||
| 16 | V | 61.3 | Low | 63.4 | Low | 86 Ų | 86 | 120.6 Ų | 120.6 | 52% | 0.521 | 66% | 0.663 | S | S | . | * | trans | -77.4 | 106.5 | 163.1 | -177.2 | 0 | 0 | 0 | 0 | 106.8 | L14 G18 V24 | L14-V16 PolarHBondContact O-N 3.34Å; V16-G18 PolarHBondContact O-N 2.95Å; V16-V24 HydrophobicContact CB-CG2 4.27Å; V16-V24 HydrophobicContact CG1-CB 4.34Å; V16-V24 HydrophobicContact CG1-CG1 4.14Å; V16-V24 HydrophobicContact CG1-CG2 3.37Å; V16-V24 HydrophobicContact CG2-CG1 4.45Å; V16-V24 HydrophobicContact CG2-CG2 4.4Å | ||
| 17 | E | 63.8 | Low | 65.4 | Low | 190 Ų | 190 | 119 Ų | 119 | 89% | 0.888 | 65% | 0.654 | S | S | * | * | trans | -75.3 | 110.4 | 166.8 | -81.2 | 179.6 | 78.1 | 0 | 0 | 108.4 | R15 | R15-E17 PolarHBondContact O-N 3.42Š| ||
| 18 | G | 64.1 | Low | 67.6 | Low | 50 Ų | 50 | 111.5 Ų | 111.5 | 52% | 0.515 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -177 | 159.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | V16 | V16-G18 PolarHBondContact O-N 2.95Š|
| 19 | P | 69.3 | Low | 69.3 | Low | 75 Ų | 75 | 114.1 Ų | 114.1 | 49% | 0.487 | 61% | 0.612 | S | S | . | * | trans | -56.6 | 137.6 | 173.5 | 24.6 | -33.1 | 0 | 0 | 0 | 109.6 | D21 K22 | P19-D21 PolarHBondContact O-N 3.3Å; P19-K22 HydrophobicContact CG-CB 4.31Å; P19-K22 HydrophobicContact CG-CD 3.62Å; P19-K22 HydrophobicContact CG-CG 3.81Å; P19-K22 PolarHBondContact O-N 2.85Å | ||
| 20 | P | 60.8 | Low | 71.2 | Confident | 137 Ų | 137 | 105 Ų | 105 | 89% | 0.89 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -12.1 | -169.7 | 25.2 | -35.3 | 0 | 0 | 0 | 114.4 | ||
| 21 | D | 64.7 | Low | 73 | Confident | 159 Ų | 159 | 106.2 Ų | 106.2 | 85% | 0.85 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | 0.5 | -175.3 | -119.6 | -102.1 | 0 | 0 | 0 | 114.2 | P19 | P19-D21 PolarHBondContact O-N 3.3Š|
| 22 | K | 69.3 | Low | 74.5 | Confident | 155 Ų | 155 | 105.2 Ų | 105.2 | 67% | 0.674 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -96.2 | 117 | 177.6 | -72.1 | -170.9 | -175.4 | -175.1 | 0 | 110.5 | P19 V24 | P19-K22 HydrophobicContact CG-CB 4.31Å; P19-K22 HydrophobicContact CG-CD 3.62Å; P19-K22 HydrophobicContact CG-CG 3.81Å; P19-K22 PolarHBondContact O-N 2.85Å; K22-V24 PolarHBondContact O-N 2.9Å; K22-V24 VanDerWaalsContact O-N 3.15Å |
| 23 | E | 72.1 | Confident | 75.9 | Confident | 133 Ų | 133 | 108 Ų | 108 | 62% | 0.621 | 55% | 0.549 | S | S | * | . | trans | -61.6 | 114.2 | 168.7 | -170.8 | 172.8 | -162.1 | 0 | 0 | 109.5 | H25 K50 | E23-H25 PolarHBondContact O-N 3.36Å; E23-H25 PolarHBondContact O-ND1 3.41Å; E23-H25 IonicContact OE2-CE1 3.14Å; E23-K50 IonicContact OE1-NZ 3.98Å | ||
| 24 | V | 77.9 | Confident | 77.5 | Confident | 86 Ų | 86 | 105.9 Ų | 105.9 | 52% | 0.521 | 54% | 0.535 | S | S | . | . | trans | -81.6 | 114.5 | -178.5 | -179.5 | 0 | 0 | 0 | 0 | 108.4 | V16 K22 | V16-V24 HydrophobicContact CB-CG2 4.27Å; V16-V24 HydrophobicContact CG1-CB 4.34Å; V16-V24 HydrophobicContact CG1-CG1 4.14Å; V16-V24 HydrophobicContact CG1-CG2 3.37Å; V16-V24 HydrophobicContact CG2-CG1 4.45Å; V16-V24 HydrophobicContact CG2-CG2 4.4Å; K22-V24 PolarHBondContact O-N 2.9Å; K22-V24 VanDerWaalsContact O-N 3.15Å | ||
| 25 | H | 85.3 | Confident | 78.8 | Confident | 149 Ų | 149 | 107 Ų | 107 | 69% | 0.69 | 54% | 0.535 | S | S | * | . | trans | -89.4 | 116.6 | 174.1 | -76 | 60.2 | 0 | 0 | 0 | 109.6 | E23 | E23-H25 PolarHBondContact O-N 3.36Å; E23-H25 PolarHBondContact O-ND1 3.41Å; E23-H25 IonicContact OE2-CE1 3.14Å | ||
| 26 | L | 90.6 | Very high | 80.3 | Confident | 59 Ų | 59 | 100.6 Ų | 100.6 | 31% | 0.309 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 129.3 | 176.6 | -163 | 81.2 | 0 | 0 | 0 | 109.5 | I44 K50 C51 E52 | L26-I44 HydrophobicContact CD2-CD1 3.72Å; L26-I44 HydrophobicContact CD2-CG1 3.77Å; L26-K50 WeakPolarHBondContact CB-O 3.42Å; L26-C51 HydrophobicContact CB-CB 4.35Å; L26-C51 HydrophobicContact CD2-CB 3.91Å; L26-C51 WeakPolarHBondContact O-CA 3.22Å; L26-E52 PolarHBondContact O-N 3.01Å |
| 27 | I | 93.9 | Very high | 81.7 | Confident | 85 Ų | 85 | 97.3 Ų | 97.3 | 44% | 0.436 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 123.3 | 174.1 | -53.8 | 177 | 0 | 0 | 0 | 108 | Y29 E52 H54 | I27-Y29 HydrophobicContact CG2-CD2 4.24Å; I27-Y29 HydrophobicContact CG2-CE2 3.67Å; I27-E52 CarbonylContact C-O 3.58Å; I27-E52 WeakPolarHBondContact CA-O 3.45Å; I27-E52 HydrophobicContact CG1-CB 4.33Å; I27-H54 VanDerWaalsContact CG2-CD2 3.48Å; I27-H54 WeakPolarHBondContact CG2-CD2 3.42Å |
| 28 | L | 92.7 | Very high | 83.1 | Confident | 22 Ų | 22 | 92.4 Ų | 92.4 | 12% | 0.115 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 108.8 | 178.2 | 179.7 | 64.8 | 0 | 0 | 0 | 110.3 | H30 V40 R41 I44 C51 E52 H54 | L28-H30 HydrophobicContact CD2-CB 4.38Å; L28-H30 HydrophobicContact CG-CB 4.16Å; L28-V40 HydrophobicContact CD1-CG1 3.71Å; L28-V40 HydrophobicContact CD2-CG1 4.21Å; L28-R41 HydrophobicContact CD2-CG 3.67Å; L28-I44 HydrophobicContact CB-CD1 4.46Å; L28-I44 HydrophobicContact CD2-CD1 3.92Å; L28-C51 VanDerWaalsContact CB-SG 3.54Å; L28-E52 PolarHBondContact N-O 3.02Å; L28-H54 PolarHBondContact O-N 3.4Å |
| 29 | Y | 94.1 | Very high | 84.6 | Confident | 139 Ų | 139 | 94 Ų | 94 | 55% | 0.545 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 120 | 163.2 | -65.6 | -80.4 | 0 | 0 | 0 | 109.2 | I27 H54 | I27-Y29 HydrophobicContact CG2-CD2 4.24Å; I27-Y29 HydrophobicContact CG2-CE2 3.67Å; Y29-H54 HydrophobicContact CD1-CB 3.56Å; Y29-H54 AromaticContact CD1-CD2 3.9Å; Y29-H54 HydrophobicContact CE1-CB 3.71Å; Y29-H54 AromaticContact CE1-CD2 3.31Å; Y29-H54 WeakPolarHBondContact CE1-CD2 3.4Å; Y29-H54 AromaticContact CE1-CG 3.68Å; Y29-H54 HydrophobicContact CG-CB 4.48Å; Y29-H54 AromaticContact CZ-CD2 3.58Å |
| 30 | H | 90.8 | Very high | 85.7 | Confident | 14 Ų | 14 | 93.6 Ų | 93.6 | 7% | 0.065 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 168.7 | -178.2 | 68.9 | 77.8 | 0 | 0 | 0 | 112.3 | L28 E53 H54 D55 K56 | L28-H30 HydrophobicContact CD2-CB 4.38Å; L28-H30 HydrophobicContact CG-CB 4.16Å; H30-E53 IonicContact NE2-OE2 3.54Å; H30-H54 PolarHBondContact N-O 3.22Å; H30-D55 IonicContact ND1-OD1 3.72Å; H30-D55 WeakPolarHBondContact O-CA 3.25Å; H30-K56 PolarHBondContact O-N 3.18Å |
| 31 | W | 91.4 | Very high | 87.2 | Confident | 123 Ų | 123 | 91.9 Ų | 91.9 | 47% | 0.466 | 45% | 0.446 | S | S | . | . | trans | -119.4 | 127.2 | 162.4 | -177.3 | 40.8 | 0 | 0 | 0 | 108.3 | H33 S34 S37 D55 | W31-H33 HydrophobicContact CD2-CB 4.19Å; W31-H33 HydrophobicContact CE3-CB 4.35Å; W31-H33 HydrophobicContact CH2-CB 4.18Å; W31-H33 HydrophobicContact CZ2-CB 3.99Å; W31-H33 HydrophobicContact CZ3-CB 4.35Å; W31-H33 PolarHBondContact O-N 3.13Å; W31-H33 VanDerWaalsContact O-N 3.14Å; W31-S34 WeakPolarHBondContact O-CB 3.38Å; W31-S34 PolarHBondContact O-N 3.09Å; W31-S37 PolarHBondContact N-OG 3.13Å; W31-S37 WeakPolarHBondContact O-CB 3.36Å; W31-S37 PolarHBondContact O-OG 3.48Å; W31-D55 WeakPolarHBondContact CA-OD1 3.26Å | ||
| 32 | T | 85.8 | Confident | 88.5 | Confident | 52 Ų | 52 | 89.7 Ų | 89.7 | 32% | 0.319 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -25.8 | -171.6 | -68.9 | 0 | 0 | 0 | 0 | 114.1 | D55 | T32-D55 WeakPolarHBondContact CB-OD2 3.38Å; T32-D55 PolarHBondContact N-OD1 2.72Å; T32-D55 PolarHBondContact OG1-OD1 3.16Å; T32-D55 PolarHBondContact OG1-OD2 3.47Å |
| 33 | H | 86.4 | Confident | 89.7 | Confident | 146 Ų | 146 | 85.4 Ų | 85.4 | 68% | 0.676 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -0.5 | 178.4 | -63.9 | 176.2 | 0 | 0 | 0 | 114.5 | W31 | W31-H33 HydrophobicContact CD2-CB 4.19Å; W31-H33 HydrophobicContact CE3-CB 4.35Å; W31-H33 HydrophobicContact CH2-CB 4.18Å; W31-H33 HydrophobicContact CZ2-CB 3.99Å; W31-H33 HydrophobicContact CZ3-CB 4.35Å; W31-H33 PolarHBondContact O-N 3.13Å; W31-H33 VanDerWaalsContact O-N 3.14Å |
| 34 | S | 89.6 | Confident | 90.6 | Very high | 36 Ų | 36 | 80.2 Ų | 80.2 | 25% | 0.252 | 40% | 0.397 | S | S | . | . | trans | -84.9 | 120.4 | 176.3 | 165.3 | 0 | 0 | 0 | 0 | 111.1 | W31 S36 S37 Q38 | W31-S34 WeakPolarHBondContact O-CB 3.38Å; W31-S34 PolarHBondContact O-N 3.09Å; S34-S36 PolarHBondContact O-N 3.06Å; S34-S36 PolarHBondContact OG-N 3.25Å; S34-S37 VanDerWaalsContact CB-OG 3.26Å; S34-S37 WeakPolarHBondContact CB-OG 3.47Å; S34-S37 VanDerWaalsContact O-CB 3.25Å; S34-S37 WeakPolarHBondContact O-CB 3.38Å; S34-S37 PolarHBondContact O-N 3.13Å; S34-S37 PolarHBondContact OG-N 3.47Å; S34-S37 PolarHBondContact OG-OG 2.86Å; S34-Q38 PolarHBondContact O-N 3.31Å | ||
| 35 | F | 90.7 | Very high | 91.2 | Very high | 136 Ų | 136 | 79.6 Ų | 79.6 | 60% | 0.596 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -58.4 | -34.3 | 174.7 | -173.5 | -114.8 | 0 | 0 | 0 | 112.2 | S37 Q38 K39 | F35-S37 VanDerWaalsContact C-N 3.34Å; F35-Q38 WeakPolarHBondContact O-CB 3.46Å; F35-Q38 PolarHBondContact O-N 3.21Å; F35-K39 HydrophobicContact CE1-CD 4.38Å; F35-K39 PolarHBondContact O-N 3.4Å; F35-K39 VanDerWaalsContact O-N 3.16Å |
| 36 | S | 90.8 | Very high | 91.5 | Very high | 81 Ų | 81 | 79.6 Ų | 79.6 | 57% | 0.566 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -64.2 | -39.6 | 174.2 | -59.3 | 0 | 0 | 0 | 0 | 111.8 | S34 Q38 K39 V40 | S34-S36 PolarHBondContact O-N 3.06Å; S34-S36 PolarHBondContact OG-N 3.25Å; S36-Q38 VanDerWaalsContact C-N 3.3Å; S36-Q38 PolarHBondContact O-N 3.27Å; S36-K39 PolarHBondContact O-N 2.79Å; S36-V40 WeakPolarHBondContact O-CG2 3.49Å; S36-V40 PolarHBondContact O-N 3.43Å |
| 37 | S | 91.9 | Very high | 91.4 | Very high | 16 Ų | 16 | 82.2 Ų | 82.2 | 11% | 0.112 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -60.8 | -41.4 | 174.7 | -56.2 | 0 | 0 | 0 | 0 | 111.4 | W31 S34 F35 K39 V40 R41 | W31-S37 PolarHBondContact N-OG 3.13Å; W31-S37 WeakPolarHBondContact O-CB 3.36Å; W31-S37 PolarHBondContact O-OG 3.48Å; S34-S37 VanDerWaalsContact CB-OG 3.26Å; S34-S37 WeakPolarHBondContact CB-OG 3.47Å; S34-S37 VanDerWaalsContact O-CB 3.25Å; S34-S37 WeakPolarHBondContact O-CB 3.38Å; S34-S37 PolarHBondContact O-N 3.13Å; S34-S37 PolarHBondContact OG-N 3.47Å; S34-S37 PolarHBondContact OG-OG 2.86Å; F35-S37 VanDerWaalsContact C-N 3.34Å; S37-K39 PolarHBondContact O-N 2.87Å; S37-V40 PolarHBondContact O-N 3.28Å; S37-R41 WeakPolarHBondContact O-CG 3.34Å; S37-R41 PolarHBondContact O-N 3.07Å |
| 38 | Q | 93 | Very high | 91.1 | Very high | 88 Ų | 88 | 82.5 Ų | 82.5 | 41% | 0.411 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 178.7 | -65.8 | 171.5 | 9.6 | 0 | 0 | 111.6 | S34 F35 S36 V40 R41 L42 | S34-Q38 PolarHBondContact O-N 3.31Å; F35-Q38 WeakPolarHBondContact O-CB 3.46Å; F35-Q38 PolarHBondContact O-N 3.21Å; S36-Q38 VanDerWaalsContact C-N 3.3Å; S36-Q38 PolarHBondContact O-N 3.27Å; Q38-V40 VanDerWaalsContact C-N 3.32Å; Q38-V40 PolarHBondContact O-N 3.16Å; Q38-R41 PolarHBondContact O-N 3.13Å; Q38-L42 WeakPolarHBondContact O-CG 3.31Å; Q38-L42 PolarHBondContact O-N 2.95Å |
| 39 | K | 94.6 | Very high | 91 | Very high | 83 Ų | 83 | 84.8 Ų | 84.8 | 36% | 0.361 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -58.8 | -43.7 | 175.7 | -63.5 | -172.9 | -164.2 | -175.8 | 0 | 111.7 | D6 F35 S36 S37 L42 V43 | D6-K39 IonicContact OD1-NZ 3.13Å; D6-K39 IonicContact OD2-NZ 3.27Å; D6-K39 PolarHBondContact OD2-NZ 3.02Å; D6-K39 VanDerWaalsContact OD2-NZ 3.14Å; F35-K39 HydrophobicContact CE1-CD 4.38Å; F35-K39 PolarHBondContact O-N 3.4Å; F35-K39 VanDerWaalsContact O-N 3.16Å; S36-K39 PolarHBondContact O-N 2.79Å; S37-K39 PolarHBondContact O-N 2.87Å; K39-L42 PolarHBondContact O-N 3.33Å; K39-V43 WeakPolarHBondContact O-CG2 3.48Å; K39-V43 PolarHBondContact O-N 3.25Å; K39-V43 VanDerWaalsContact O-N 3.13Å |
| 40 | V | 93.2 | Very high | 90.8 | Very high | 67 Ų | 67 | 86.1 Ų | 86.1 | 41% | 0.406 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.6 | -43.9 | 179.6 | 176.7 | 0 | 0 | 0 | 0 | 111.3 | L28 S36 S37 Q38 L42 V43 I44 | L28-V40 HydrophobicContact CD1-CG1 3.71Å; L28-V40 HydrophobicContact CD2-CG1 4.21Å; S36-V40 WeakPolarHBondContact O-CG2 3.49Å; S36-V40 PolarHBondContact O-N 3.43Å; S37-V40 PolarHBondContact O-N 3.28Å; Q38-V40 VanDerWaalsContact C-N 3.32Å; Q38-V40 PolarHBondContact O-N 3.16Å; V40-L42 VanDerWaalsContact C-N 3.3Å; V40-L42 PolarHBondContact O-N 3.4Å; V40-V43 PolarHBondContact O-N 3.19Å; V40-I44 HydrophobicContact CG1-CD1 3.85Å; V40-I44 HydrophobicContact CG1-CG1 4.48Å; V40-I44 WeakPolarHBondContact O-CG1 3.44Å; V40-I44 PolarHBondContact O-N 3.48Å |
| 41 | R | 91.6 | Very high | 90.8 | Very high | 101 Ų | 101 | 87.2 Ų | 87.2 | 38% | 0.381 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -59.2 | -40.5 | 176.2 | -68.4 | 176.6 | 79.8 | -166.2 | 3.3 | 112.2 | L28 S37 Q38 I44 A45 E53 | L28-R41 HydrophobicContact CD2-CG 3.67Å; S37-R41 WeakPolarHBondContact O-CG 3.34Å; S37-R41 PolarHBondContact O-N 3.07Å; Q38-R41 PolarHBondContact O-N 3.13Å; R41-I44 PolarHBondContact O-N 3.32Å; R41-A45 PolarHBondContact O-N 3.27Å; R41-E53 IonicContact CZ-OE2 3.28Å; R41-E53 VanDerWaalsContact CZ-OE2 3.28Å; R41-E53 IonicContact NE-OE2 2.72Å; R41-E53 PolarHBondContact NE-OE2 3.45Å; R41-E53 IonicContact NH2-OE2 3.14Å; R41-E53 PolarHBondContact NH2-OE2 3.33Å; R41-E53 VanDerWaalsContact NH2-OE2 3.14Å |
| 42 | L | 93.8 | Very high | 91 | Very high | 112 Ų | 112 | 86.3 Ų | 86.3 | 59% | 0.586 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -62 | -47.3 | 175.5 | -71.2 | 171.4 | 0 | 0 | 0 | 111.8 | Q38 K39 V40 I44 A45 E46 | Q38-L42 WeakPolarHBondContact O-CG 3.31Å; Q38-L42 PolarHBondContact O-N 2.95Å; K39-L42 PolarHBondContact O-N 3.33Å; V40-L42 VanDerWaalsContact C-N 3.3Å; V40-L42 PolarHBondContact O-N 3.4Å; L42-I44 VanDerWaalsContact C-N 3.32Å; L42-I44 PolarHBondContact O-N 3.02Å; L42-A45 PolarHBondContact O-N 3.44Å; L42-E46 WeakPolarHBondContact O-CB 3.35Å; L42-E46 WeakPolarHBondContact O-CG 3.32Å; L42-E46 PolarHBondContact O-N 3.18Å |
| 43 | V | 92.5 | Very high | 91.3 | Very high | 66 Ų | 66 | 88.2 Ų | 88.2 | 40% | 0.4 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.9 | -39.4 | 179 | 174.5 | 0 | 0 | 0 | 0 | 111.6 | K39 V40 A45 E46 K47 | K39-V43 WeakPolarHBondContact O-CG2 3.48Å; K39-V43 PolarHBondContact O-N 3.25Å; K39-V43 VanDerWaalsContact O-N 3.13Å; V40-V43 PolarHBondContact O-N 3.19Å; V43-A45 VanDerWaalsContact C-N 3.35Å; V43-E46 PolarHBondContact O-N 3.39Å; V43-K47 HydrophobicContact CG1-CG 4.32Å; V43-K47 WeakPolarHBondContact O-CB 3.43Å; V43-K47 WeakPolarHBondContact O-CG 3.26Å; V43-K47 PolarHBondContact O-N 2.97Å |
| 44 | I | 91.6 | Very high | 91.6 | Very high | 24 Ų | 24 | 84.2 Ų | 84.2 | 12% | 0.123 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -60.5 | -46 | 175.7 | -70.8 | 166.5 | 0 | 0 | 0 | 110.6 | L26 L28 V40 R41 L42 K47 A48 L49 C51 | L26-I44 HydrophobicContact CD2-CD1 3.72Å; L26-I44 HydrophobicContact CD2-CG1 3.77Å; L28-I44 HydrophobicContact CB-CD1 4.46Å; L28-I44 HydrophobicContact CD2-CD1 3.92Å; V40-I44 HydrophobicContact CG1-CD1 3.85Å; V40-I44 HydrophobicContact CG1-CG1 4.48Å; V40-I44 WeakPolarHBondContact O-CG1 3.44Å; V40-I44 PolarHBondContact O-N 3.48Å; R41-I44 PolarHBondContact O-N 3.32Å; L42-I44 VanDerWaalsContact C-N 3.32Å; L42-I44 PolarHBondContact O-N 3.02Å; I44-K47 PolarHBondContact O-N 3.39Å; I44-A48 PolarHBondContact O-N 3.32Å; I44-A48 VanDerWaalsContact O-N 3.13Å; I44-L49 HydrophobicContact CG2-CB 4.21Å; I44-L49 PolarHBondContact O-N 3.14Å; I44-L49 VanDerWaalsContact O-N 3.09Å; I44-C51 HydrophobicContact CD1-CB 4.4Å; I44-C51 HydrophobicContact CG2-CB 3.75Å |
| 45 | A | 90.6 | Very high | 91.5 | Very high | 73 Ų | 73 | 85.2 Ų | 85.2 | 60% | 0.603 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -65.3 | -45.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | R41 L42 V43 K47 A48 | R41-A45 PolarHBondContact O-N 3.27Å; L42-A45 PolarHBondContact O-N 3.44Å; V43-A45 VanDerWaalsContact C-N 3.35Å; A45-K47 PolarHBondContact O-N 3.06Å; A45-A48 PolarHBondContact O-N 3.21Å |
| 46 | E | 92.7 | Very high | 91.1 | Very high | 148 Ų | 148 | 85.5 Ų | 85.5 | 69% | 0.692 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -60.4 | -30.2 | 177.5 | -76.2 | 179.6 | 174.4 | 0 | 0 | 113 | L42 V43 | L42-E46 WeakPolarHBondContact O-CB 3.35Å; L42-E46 WeakPolarHBondContact O-CG 3.32Å; L42-E46 PolarHBondContact O-N 3.18Å; V43-E46 PolarHBondContact O-N 3.39Å |
| 47 | K | 88.6 | Confident | 90.1 | Very high | 114 Ų | 114 | 88.9 Ų | 88.9 | 50% | 0.496 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 1.6 | 179.1 | -61 | -63 | 175.8 | -167.2 | 0 | 113.3 | V43 I44 A45 L49 | V43-K47 HydrophobicContact CG1-CG 4.32Å; V43-K47 WeakPolarHBondContact O-CB 3.43Å; V43-K47 WeakPolarHBondContact O-CG 3.26Å; V43-K47 PolarHBondContact O-N 2.97Å; I44-K47 PolarHBondContact O-N 3.39Å; A45-K47 PolarHBondContact O-N 3.06Å; K47-L49 HydrophobicContact CB-CD1 3.99Å; K47-L49 HydrophobicContact CB-CD2 4.42Å; K47-L49 HydrophobicContact CB-CG 3.75Å; K47-L49 PolarHBondContact O-N 2.85Å |
| 48 | A | 87.6 | Confident | 88.6 | Confident | 91 Ų | 91 | 96 Ų | 96 | 75% | 0.752 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 39.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | I44 A45 | I44-A48 PolarHBondContact O-N 3.32Å; I44-A48 VanDerWaalsContact O-N 3.13Å; A45-A48 PolarHBondContact O-N 3.21Å |
| 49 | L | 88.8 | Confident | 86.8 | Confident | 70 Ų | 70 | 97.3 Ų | 97.3 | 37% | 0.366 | 50% | 0.5 | S | S | . | . | trans | -81 | 133.7 | -179.6 | -62.3 | 174.2 | 0 | 0 | 0 | 110 | L14 I44 K47 C51 | L14-L49 HydrophobicContact CD2-CD1 3.86Å; I44-L49 HydrophobicContact CG2-CB 4.21Å; I44-L49 PolarHBondContact O-N 3.14Å; I44-L49 VanDerWaalsContact O-N 3.09Å; K47-L49 HydrophobicContact CB-CD1 3.99Å; K47-L49 HydrophobicContact CB-CD2 4.42Å; K47-L49 HydrophobicContact CB-CG 3.75Å; K47-L49 PolarHBondContact O-N 2.85Å; L49-C51 PolarHBondContact O-N 3.45Å | ||
| 50 | K | 90 | Very high | 85 | Confident | 167 Ų | 167 | 100.5 Ų | 100.5 | 73% | 0.726 | 56% | 0.556 | S | S | * | * | trans | -66.2 | 125.4 | 166.9 | -66.5 | -176.5 | -173.9 | 171.8 | 0 | 108.4 | E23 L26 | E23-K50 IonicContact OE1-NZ 3.98Å; L26-K50 WeakPolarHBondContact CB-O 3.42Å | ||
| 51 | C | 92.4 | Very high | 84.6 | Confident | 37 Ų | 37 | 102.2 Ų | 102.2 | 25% | 0.25 | 56% | 0.564 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -140.1 | 134.7 | -179 | -171.5 | 0 | 0 | 0 | 0 | 110.6 | L26 L28 I44 L49 | L26-C51 HydrophobicContact CB-CB 4.35Å; L26-C51 HydrophobicContact CD2-CB 3.91Å; L26-C51 WeakPolarHBondContact O-CA 3.22Å; L28-C51 VanDerWaalsContact CB-SG 3.54Å; I44-C51 HydrophobicContact CD1-CB 4.4Å; I44-C51 HydrophobicContact CG2-CB 3.75Å; L49-C51 PolarHBondContact O-N 3.45Å |
| 52 | E | 94.4 | Very high | 84.2 | Confident | 104 Ų | 104 | 102.2 Ų | 102.2 | 49% | 0.486 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.3 | 125.8 | 164.9 | -173.5 | 174.1 | 174.2 | 0 | 0 | 108.8 | L26 I27 L28 H54 | L26-E52 PolarHBondContact O-N 3.01Å; I27-E52 CarbonylContact C-O 3.58Å; I27-E52 WeakPolarHBondContact CA-O 3.45Å; I27-E52 HydrophobicContact CG1-CB 4.33Å; L28-E52 PolarHBondContact N-O 3.02Å; E52-H54 IonicContact OE1-CE1 3.52Å; E52-H54 PolarHBondContact OE1-CE1 3.14Å; E52-H54 IonicContact OE1-NE2 3.88Å; E52-H54 PolarHBondContact OE1-NE2 3.01Å |
| 53 | E | 91.8 | Very high | 83.7 | Confident | 93 Ų | 93 | 101.7 Ų | 101.7 | 44% | 0.435 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.5 | 130.3 | -177.9 | -71.7 | -178.5 | -98.5 | 0 | 0 | 110.7 | H30 R41 | H30-E53 IonicContact NE2-OE2 3.54Å; R41-E53 IonicContact CZ-OE2 3.28Å; R41-E53 VanDerWaalsContact CZ-OE2 3.28Å; R41-E53 IonicContact NE-OE2 2.72Å; R41-E53 PolarHBondContact NE-OE2 3.45Å; R41-E53 IonicContact NH2-OE2 3.14Å; R41-E53 PolarHBondContact NH2-OE2 3.33Å; R41-E53 VanDerWaalsContact NH2-OE2 3.14Å |
| 54 | H | 92.8 | Very high | 83.1 | Confident | 61 Ų | 61 | 103.8 Ų | 103.8 | 28% | 0.282 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.3 | 109.9 | 172.6 | -61.1 | -67.6 | 0 | 0 | 0 | 110.1 | I27 L28 Y29 H30 E52 | I27-H54 VanDerWaalsContact CG2-CD2 3.48Å; I27-H54 WeakPolarHBondContact CG2-CD2 3.42Å; L28-H54 PolarHBondContact O-N 3.4Å; Y29-H54 HydrophobicContact CD1-CB 3.56Å; Y29-H54 AromaticContact CD1-CD2 3.9Å; Y29-H54 HydrophobicContact CE1-CB 3.71Å; Y29-H54 AromaticContact CE1-CD2 3.31Å; Y29-H54 WeakPolarHBondContact CE1-CD2 3.4Å; Y29-H54 AromaticContact CE1-CG 3.68Å; Y29-H54 HydrophobicContact CG-CB 4.48Å; Y29-H54 AromaticContact CZ-CD2 3.58Å; H30-H54 PolarHBondContact N-O 3.22Å; E52-H54 IonicContact OE1-CE1 3.52Å; E52-H54 PolarHBondContact OE1-CE1 3.14Å; E52-H54 IonicContact OE1-NE2 3.88Å; E52-H54 PolarHBondContact OE1-NE2 3.01Å |
| 55 | D | 89.4 | Confident | 82.6 | Confident | 58 Ų | 58 | 108.8 Ų | 108.8 | 31% | 0.31 | 61% | 0.612 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.5 | 124.4 | 171.2 | -163 | 5.7 | 0 | 0 | 0 | 110.2 | H30 W31 T32 E57 | H30-D55 IonicContact ND1-OD1 3.72Å; H30-D55 WeakPolarHBondContact O-CA 3.25Å; W31-D55 WeakPolarHBondContact CA-OD1 3.26Å; T32-D55 WeakPolarHBondContact CB-OD2 3.38Å; T32-D55 PolarHBondContact N-OD1 2.72Å; T32-D55 PolarHBondContact OG1-OD1 3.16Å; T32-D55 PolarHBondContact OG1-OD2 3.47Å; D55-E57 PolarHBondContact O-N 3.14Å |
| 56 | K | 80.4 | Confident | 82.1 | Confident | 142 Ų | 142 | 111.1 Ų | 111.1 | 62% | 0.617 | 61% | 0.612 | S | S | * | * | trans | -95.7 | 79.8 | 166.8 | -63.6 | -163.5 | -177.5 | -176.2 | 0 | 107.6 | H30 H58 | H30-K56 PolarHBondContact O-N 3.18Å; K56-H58 PolarHBondContact O-N 2.56Å; K56-H58 VanDerWaalsContact O-N 3.16Å | ||
| 57 | E | 70.3 | Confident | 81.3 | Confident | 151 Ų | 151 | 108.5 Ų | 108.5 | 71% | 0.706 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -59 | 116.6 | 164.1 | -58.3 | -173.9 | 170.9 | 0 | 0 | 107.2 | D55 P59 | D55-E57 PolarHBondContact O-N 3.14Å; E57-P59 VanDerWaalsContact O-CD 3.26Å; E57-P59 WeakPolarHBondContact O-CD 3.38Å |
| 58 | H | 59.8 | Low | 80.8 | Confident | 165 Ų | 165 | 108.1 Ų | 108.1 | 76% | 0.764 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 118.4 | 170.7 | -139.3 | 84.7 | 0 | 0 | 0 | 106.5 | K56 G60 | K56-H58 PolarHBondContact O-N 2.56Å; K56-H58 VanDerWaalsContact O-N 3.16Å; H58-G60 PolarHBondContact O-N 3.16Å; H58-G60 VanDerWaalsContact O-N 3.16Å |
| 59 | P | 55.6 | Low | 80.2 | Confident | 116 Ų | 116 | 109.5 Ų | 109.5 | 75% | 0.753 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 121.5 | 174 | 25.8 | -30.3 | 0 | 0 | 0 | 107.5 | E57 | E57-P59 VanDerWaalsContact O-CD 3.26Å; E57-P59 WeakPolarHBondContact O-CD 3.38Å |
| 60 | G | 56.8 | Low | 79.4 | Confident | 150 Ų | 150 | 113.1 Ų | 113.1 | 100% | 1.546 | 63% | 0.625 | S | S | * | * | trans | -79.6 | 0 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | H58 | H58-G60 PolarHBondContact O-N 3.16Å; H58-G60 VanDerWaalsContact O-N 3.16Å |
Retrieved 60 of 60 residues in 101.7 ms
(Link to these results)