| 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 | 44.9 | Very low | 47.7 | Very low | 241 Ų | 241 | 179.5 Ų | 179.5 | 100% | 1.187 | 86% | 0.857 | S | S | * | * | 0 | 129.6 | 0 | -72 | 169 | 150.6 | 0 | 0 | 108.7 | |||||
| 2 | Q | 47 | Very low | 47.5 | Very low | 195 Ų | 195 | 171.3 Ų | 171.3 | 91% | 0.911 | 83% | 0.832 | S | S | * | * | trans | 53.5 | 89.3 | 170.8 | -66.7 | 171.9 | 34.8 | 0 | 0 | 119.3 | S4 | Q2-S4 PolarHBondContact O-N 3.32Š| ||
| 3 | K | 44.6 | Very low | 47.9 | Very low | 214 Ų | 214 | 169 Ų | 169 | 93% | 0.93 | 83% | 0.827 | S | S | * | * | trans | -65.7 | 108.2 | 160.6 | -93.7 | 170.3 | 163.5 | 177.8 | 0 | 109.6 | Q5 | K3-Q5 PolarHBondContact O-N 2.8Š| ||
| 4 | S | 49 | Very low | 48.7 | Very low | 110 Ų | 110 | 161.8 Ų | 161.8 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | -74.1 | 108.3 | 169.9 | -161 | 0 | 0 | 0 | 0 | 109.2 | Q2 R6 | Q2-S4 PolarHBondContact O-N 3.32Å; S4-R6 PolarHBondContact O-N 3.28Å | ||
| 5 | Q | 53 | Low | 50 | Low | 198 Ų | 198 | 151.9 Ų | 151.9 | 93% | 0.925 | 76% | 0.755 | S | S | * | * | trans | -69.2 | 64.1 | 169.8 | -72.7 | -164.5 | -4.2 | 0 | 0 | 111.2 | K3 S7 | K3-Q5 PolarHBondContact O-N 2.8Å; Q5-S7 PolarHBondContact O-N 3.24Å | ||
| 6 | R | 50.6 | Low | 51.4 | Low | 210 Ų | 210 | 150.4 Ų | 150.4 | 79% | 0.792 | 74% | 0.739 | S | S | * | * | trans | -89.3 | 88.9 | 175 | -160.8 | 168 | -168.7 | 175.7 | 4.1 | 108.3 | S4 | S4-R6 PolarHBondContact O-N 3.28Š| ||
| 7 | S | 44.5 | Very low | 52.7 | Low | 93 Ų | 93 | 141.8 Ų | 141.8 | 65% | 0.65 | 70% | 0.697 | S | S | * | * | trans | 35.5 | 94.1 | 155 | -152.5 | 0 | 0 | 0 | 0 | 114.5 | Q5 R9 | Q5-S7 PolarHBondContact O-N 3.24Å; S7-R9 PolarHBondContact O-N 2.8Å | ||
| 8 | H | 49.8 | Very low | 53.6 | Low | 202 Ų | 202 | 139.4 Ų | 139.4 | 94% | 0.935 | 69% | 0.694 | S | S | * | * | trans | -65.7 | 31.2 | 164.1 | -96.1 | -111.4 | 0 | 0 | 0 | 112.7 | P10 | H8-P10 WeakPolarHBondContact O-CD 3.4Š| ||
| 9 | R | 48.1 | Very low | 54.6 | Low | 205 Ų | 205 | 138 Ų | 138 | 77% | 0.774 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -69.6 | 120 | 156.4 | -161.9 | -174.6 | 176.9 | -150 | -5.1 | 104.7 | S7 K11 | S7-R9 PolarHBondContact O-N 2.8Å; R9-K11 PolarHBondContact O-N 2.77Å |
| 10 | P | 48.5 | Very low | 55.6 | Low | 101 Ų | 101 | 132.7 Ų | 132.7 | 66% | 0.656 | 67% | 0.668 | S | S | * | * | trans | -55.2 | 114.5 | 169 | 24 | -30.9 | 0 | 0 | 0 | 105.4 | H8 S12 | H8-P10 WeakPolarHBondContact O-CD 3.4Å; P10-S12 PolarHBondContact O-N 2.82Å | ||
| 11 | K | 44.6 | Very low | 56.6 | Low | 206 Ų | 206 | 133.5 Ų | 133.5 | 90% | 0.896 | 67% | 0.67 | S | S | * | * | trans | -70.4 | 48.3 | 162.4 | -146.7 | 177.7 | -174 | -173.7 | 0 | 107 | R9 N13 | R9-K11 PolarHBondContact O-N 2.77Å; K11-N13 PolarHBondContact O-N 2.79Å | ||
| 12 | S | 45.5 | Very low | 58.1 | Low | 80 Ų | 80 | 126.8 Ų | 126.8 | 56% | 0.559 | 64% | 0.635 | S | S | * | * | trans | -80.3 | 107.4 | 174.4 | -170.9 | 0 | 0 | 0 | 0 | 103.9 | P10 S14 | P10-S12 PolarHBondContact O-N 2.82Å; S12-S14 PolarHBondContact O-N 3.28Å; S12-S14 VanDerWaalsContact OG-CB 3.27Å; S12-S14 WeakPolarHBondContact OG-CB 3.27Å | ||
| 13 | N | 52.9 | Low | 59.4 | Low | 142 Ų | 142 | 121.4 Ų | 121.4 | 76% | 0.759 | 62% | 0.618 | S | S | * | * | trans | -66.5 | 29.4 | 171.3 | -156.8 | 27.8 | 0 | 0 | 0 | 111.4 | K11 R35 | K11-N13 PolarHBondContact O-N 2.79Å; N13-R35 PolarHBondContact O-NH1 2.01Å; N13-R35 PolarHBondContact O-NH2 2.78Å | ||
| 14 | S | 58.4 | Low | 60.9 | Low | 68 Ų | 68 | 112 Ų | 112 | 48% | 0.476 | 58% | 0.578 | S | S | . | * | trans | -101.9 | 110 | -178.5 | -163.3 | 0 | 0 | 0 | 0 | 107.2 | S12 Y16 | S12-S14 PolarHBondContact O-N 3.28Å; S12-S14 VanDerWaalsContact OG-CB 3.27Å; S12-S14 WeakPolarHBondContact OG-CB 3.27Å; S14-Y16 PolarHBondContact O-N 2.76Å | ||
| 15 | S | 68.7 | Low | 62.2 | Low | 14 Ų | 14 | 110.2 Ų | 110.2 | 10% | 0.098 | 57% | 0.566 | C | S | . | * | trans | -65.2 | 133.9 | 175.7 | -64 | 0 | 0 | 0 | 0 | 107.4 | C24 R35 I45 | S15-C24 WeakPolarHBondContact CB-SG 3.44Å; S15-C24 WeakPolarHBondContact O-CA 3.09Å; S15-C24 WeakPolarHBondContact O-CB 3.49Å; S15-C24 PolarHBondContact O-N 2.79Å; S15-C24 PolarHBondContact O-SG 3.01Å; S15-R35 VanDerWaalsContact CB-CD 3.44Å; S15-R35 WeakPolarHBondContact OG-CD 3.38Å; S15-R35 PolarHBondContact OG-NH1 2.89Å; S15-I45 WeakPolarHBondContact OG-CD1 3.1Å; S15-I45 WeakPolarHBondContact OG-CG1 3.35Å | ||
| 16 | Y | 72.9 | Confident | 63.5 | Low | 127 Ų | 127 | 107.8 Ų | 107.8 | 50% | 0.498 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.5 | 137.5 | 176.1 | -175.5 | -100.5 | 0 | 0 | 0 | 107.8 | S14 P18 E21 Q22 C24 | S14-Y16 PolarHBondContact O-N 2.76Å; Y16-P18 WeakPolarHBondContact O-CD 3.45Å; Y16-E21 WeakPolarHBondContact OH-CA 3.35Å; Y16-E21 WeakPolarHBondContact OH-CB 3.35Å; Y16-E21 PolarHBondContact OH-O 3.38Å; Y16-Q22 WeakPolarHBondContact CD2-O 3.2Å; Y16-C24 VanDerWaalsContact C-SG 3.6Å |
| 17 | C | 73 | Confident | 64.8 | Low | 5 Ų | 5 | 98.7 Ų | 98.7 | 3% | 0.034 | 52% | 0.524 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 107.6 | -179.8 | -165.6 | 0 | 0 | 0 | 0 | 109.5 | V19 V20 E21 Q22 C37 | C17-V19 PolarHBondContact O-N 3.21Å; C17-V20 HydrophobicContact CB-CG2 3.63Å; C17-V20 PolarHBondContact O-N 2.83Å; C17-E21 WeakPolarHBondContact O-CA 3.44Å; C17-E21 PolarHBondContact O-N 2.69Å; C17-Q22 PolarHBondContact N-O 3Å; C17-Q22 PolarHBondContact O-N 2.96Å; C17-C37 HydrophobicContact CB-CB 3.73Å; C17-C37 WeakPolarHBondContact CB-SG 3.12Å; C17-C37 WeakPolarHBondContact SG-CB 3.32Å; C17-C37 CovalentContact SG-SG 2.01Å; C17-C37 PolarHBondContact SG-SG 3.4Å |
| 18 | P | 69.7 | Low | 66.2 | Low | 98 Ų | 98 | 100 Ų | 100 | 64% | 0.636 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -18.1 | -176.5 | 28.9 | -35.8 | 0 | 0 | 0 | 112.9 | Y16 | Y16-P18 WeakPolarHBondContact O-CD 3.45Š|
| 19 | V | 71.7 | Confident | 67.2 | Low | 113 Ų | 113 | 93.1 Ų | 93.1 | 69% | 0.685 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -35.5 | -178.8 | 179.7 | 0 | 0 | 0 | 0 | 112.2 | C17 | C17-V19 PolarHBondContact O-N 3.21Š|
| 20 | V | 75 | Confident | 68.4 | Low | 32 Ų | 32 | 87.2 Ų | 87.2 | 19% | 0.194 | 49% | 0.488 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115 | 3.6 | -175.9 | -62.9 | 0 | 0 | 0 | 0 | 112.3 | C17 Q22 C37 T39 | C17-V20 HydrophobicContact CB-CG2 3.63Å; C17-V20 PolarHBondContact O-N 2.83Å; V20-Q22 HydrophobicContact CG2-CB 3.93Å; V20-Q22 WeakPolarHBondContact O-CG 3.03Å; V20-Q22 PolarHBondContact O-N 3.21Å; V20-Q22 PolarHBondContact O-NE2 3.45Å; V20-C37 HydrophobicContact CG2-CB 3.8Å; V20-T39 HydrophobicContact CG1-CG2 3.66Å |
| 21 | E | 76.7 | Confident | 69.6 | Low | 149 Ų | 149 | 91.8 Ų | 91.8 | 70% | 0.696 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.6 | 45 | -176.5 | -60.2 | -164.4 | 95.3 | 0 | 0 | 113.1 | Y16 C17 | Y16-E21 WeakPolarHBondContact OH-CA 3.35Å; Y16-E21 WeakPolarHBondContact OH-CB 3.35Å; Y16-E21 PolarHBondContact OH-O 3.38Å; C17-E21 WeakPolarHBondContact O-CA 3.44Å; C17-E21 PolarHBondContact O-N 2.69Å |
| 22 | Q | 75.5 | Confident | 70.8 | Confident | 100 Ų | 100 | 85.5 Ų | 85.5 | 47% | 0.467 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 152.4 | -177.5 | -78.6 | 173.6 | 78.5 | 0 | 0 | 112.1 | Y16 C17 V20 | Y16-Q22 WeakPolarHBondContact CD2-O 3.2Å; C17-Q22 PolarHBondContact N-O 3Å; C17-Q22 PolarHBondContact O-N 2.96Å; V20-Q22 HydrophobicContact CG2-CB 3.93Å; V20-Q22 WeakPolarHBondContact O-CG 3.03Å; V20-Q22 PolarHBondContact O-N 3.21Å; V20-Q22 PolarHBondContact O-NE2 3.45Å |
| 23 | P | 75.3 | Confident | 72.1 | Confident | 83 Ų | 83 | 87.5 Ų | 87.5 | 54% | 0.539 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 140.6 | 171.4 | 27.2 | -34 | 0 | 0 | 0 | 110.2 | ||
| 24 | C | 76.1 | Confident | 73.2 | Confident | 15 Ų | 15 | 82.1 Ų | 82.1 | 10% | 0.101 | 46% | 0.458 | C | S | . | . | P | Polyproline II helix | trans | -74.8 | 129.7 | 175.5 | -61.5 | 0 | 0 | 0 | 0 | 110.4 | S15 Y16 R35 L36 C43 | S15-C24 WeakPolarHBondContact CB-SG 3.44Å; S15-C24 WeakPolarHBondContact O-CA 3.09Å; S15-C24 WeakPolarHBondContact O-CB 3.49Å; S15-C24 PolarHBondContact O-N 2.79Å; S15-C24 PolarHBondContact O-SG 3.01Å; Y16-C24 VanDerWaalsContact C-SG 3.6Å; C24-R35 HydrophobicContact CB-CB 3.89Å; C24-L36 CarbonylContact C-O 3.56Å; C24-L36 VanDerWaalsContact CA-O 3.28Å; C24-L36 WeakPolarHBondContact CA-O 2.9Å; C24-C43 HydrophobicContact CB-CB 3.84Å; C24-C43 WeakPolarHBondContact CB-SG 3.28Å; C24-C43 WeakPolarHBondContact SG-CB 3.08Å; C24-C43 CovalentContact SG-SG 1.99Å; C24-C43 PolarHBondContact SG-SG 2.86Å |
| 25 | S | 76.5 | Confident | 74.1 | Confident | 74 Ų | 74 | 82.7 Ų | 82.7 | 52% | 0.517 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 146.3 | 172.4 | -61.8 | 0 | 0 | 0 | 0 | 109.9 | R35 L36 | S25-R35 CarbonylContact O-C 3.53Å; S25-R35 WeakPolarHBondContact O-CA 3.05Å; S25-L36 PolarHBondContact N-O 2.88Å; S25-L36 PolarHBondContact O-N 2.87Å |
| 26 | K | 79 | Confident | 74.5 | Confident | 147 Ų | 147 | 83.1 Ų | 83.1 | 64% | 0.639 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 134.6 | 169 | -167.2 | 179.1 | 180 | -168.6 | 0 | 108.6 | E33 | K26-E33 WeakPolarHBondContact CE-OE1 2.91Å; K26-E33 WeakPolarHBondContact CE-OE2 3.4Å; K26-E33 IonicContact NZ-OE1 2.89Å; K26-E33 PolarHBondContact NZ-OE1 2.89Å; K26-E33 IonicContact NZ-OE2 2.76Å; K26-E33 PolarHBondContact NZ-OE2 3.17Å |
| 27 | G | 77.6 | Confident | 74.6 | Confident | 19 Ų | 19 | 77.3 Ų | 77.3 | 20% | 0.196 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.7 | 169.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | G34 | G27-G34 PolarHBondContact N-O 2.98Å; G27-G34 CarbonylContact O-C 3.55Å; G27-G34 PolarHBondContact O-N 2.74Å |
| 28 | I | 75.4 | Confident | 74.5 | Confident | 121 Ų | 121 | 79.9 Ų | 79.9 | 62% | 0.621 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109 | 125.9 | -178.1 | -56.9 | 171.4 | 0 | 0 | 0 | 107.6 | ||
| 29 | L | 70 | Confident | 74.4 | Confident | 56 Ų | 56 | 78.8 Ų | 78.8 | 29% | 0.293 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 115.3 | 177.7 | -159 | 120.4 | 0 | 0 | 0 | 110.5 | T32 L36 R40 R42 | L29-T32 PolarHBondContact N-O 3.3Å; L29-T32 PolarHBondContact O-N 1.99Å; L29-L36 HydrophobicContact CB-CD1 4.48Å; L29-L36 HydrophobicContact CB-CD2 3.88Å; L29-L36 HydrophobicContact CD1-CD1 4.31Å; L29-L36 HydrophobicContact CD1-CD2 4.05Å; L29-R40 WeakPolarHBondContact CD1-O 3.27Å; L29-R42 HydrophobicContact CD2-CG 4.11Å; L29-R42 PolarHBondContact O-NH2 2.8Å |
| 30 | A | 73.6 | Confident | 73.9 | Confident | 82 Ų | 82 | 83.4 Ų | 83.4 | 68% | 0.678 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 58.7 | -174 | 0 | 0 | 0 | 0 | 0 | 111.7 | T32 | A30-T32 PolarHBondContact O-N 2.78Å; A30-T32 PolarHBondContact O-OG1 3.19Å |
| 31 | E | 72.9 | Confident | 73.6 | Confident | 196 Ų | 196 | 88.4 Ų | 88.4 | 92% | 0.916 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | -0 | 179.5 | -59.8 | 179.9 | 87.2 | 0 | 0 | 116.1 | ||
| 32 | T | 69.8 | Low | 73.1 | Confident | 74 Ų | 74 | 87.3 Ų | 87.3 | 45% | 0.454 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 120.2 | 175 | -47.2 | 0 | 0 | 0 | 0 | 110.1 | L29 A30 R42 | L29-T32 PolarHBondContact N-O 3.3Å; L29-T32 PolarHBondContact O-N 1.99Å; A30-T32 PolarHBondContact O-N 2.78Å; A30-T32 PolarHBondContact O-OG1 3.19Å; T32-R42 PolarHBondContact OG1-NH2 2.76Å |
| 33 | E | 73.5 | Confident | 72.9 | Confident | 123 Ų | 123 | 83.1 Ų | 83.1 | 58% | 0.575 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 129 | 167.9 | -172.6 | 178.5 | 94.6 | 0 | 0 | 109.8 | K26 | K26-E33 WeakPolarHBondContact CE-OE1 2.91Å; K26-E33 WeakPolarHBondContact CE-OE2 3.4Å; K26-E33 IonicContact NZ-OE1 2.89Å; K26-E33 PolarHBondContact NZ-OE1 2.89Å; K26-E33 IonicContact NZ-OE2 2.76Å; K26-E33 PolarHBondContact NZ-OE2 3.17Å |
| 34 | G | 76.1 | Confident | 72.3 | Confident | 29 Ų | 29 | 86.2 Ų | 86.2 | 30% | 0.299 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | -174.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G27 | G27-G34 PolarHBondContact N-O 2.98Å; G27-G34 CarbonylContact O-C 3.55Å; G27-G34 PolarHBondContact O-N 2.74Å |
| 35 | R | 77.2 | Confident | 71.4 | Confident | 79 Ų | 79 | 89.7 Ų | 89.7 | 30% | 0.298 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 136 | 169.7 | -72.4 | -174.2 | -174.5 | 176.1 | -6.5 | 108.4 | N13 S15 C24 S25 C43 I45 | N13-R35 PolarHBondContact O-NH1 2.01Å; N13-R35 PolarHBondContact O-NH2 2.78Å; S15-R35 VanDerWaalsContact CB-CD 3.44Å; S15-R35 WeakPolarHBondContact OG-CD 3.38Å; S15-R35 PolarHBondContact OG-NH1 2.89Å; C24-R35 HydrophobicContact CB-CB 3.89Å; S25-R35 CarbonylContact O-C 3.53Å; S25-R35 WeakPolarHBondContact O-CA 3.05Å; R35-C43 HydrophobicContact CB-CB 4Å; R35-C43 WeakPolarHBondContact O-CA 3.49Å; R35-C43 VanDerWaalsContact O-CB 3.27Å; R35-C43 WeakPolarHBondContact O-CB 3.4Å; R35-C43 PolarHBondContact O-N 2.75Å; R35-I45 HydrophobicContact CB-CD1 4.31Å; R35-I45 HydrophobicContact CG-CD1 4.43Å |
| 36 | L | 77.1 | Confident | 70.2 | Confident | 24 Ų | 24 | 96.5 Ų | 96.5 | 13% | 0.126 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 144.6 | -174.9 | -56.2 | -178.7 | 0 | 0 | 0 | 110.1 | C24 S25 L29 K41 R42 C43 | C24-L36 CarbonylContact C-O 3.56Å; C24-L36 VanDerWaalsContact CA-O 3.28Å; C24-L36 WeakPolarHBondContact CA-O 2.9Å; S25-L36 PolarHBondContact N-O 2.88Å; S25-L36 PolarHBondContact O-N 2.87Å; L29-L36 HydrophobicContact CB-CD1 4.48Å; L29-L36 HydrophobicContact CB-CD2 3.88Å; L29-L36 HydrophobicContact CD1-CD1 4.31Å; L29-L36 HydrophobicContact CD1-CD2 4.05Å; L36-K41 CarbonylContact C-O 3.53Å; L36-K41 WeakPolarHBondContact CA-O 2.96Å; L36-R42 HydrophobicContact CD2-CG 4.26Å; L36-C43 PolarHBondContact O-SG 2.81Å |
| 37 | C | 74.8 | Confident | 68.8 | Low | 5 Ų | 5 | 94.2 Ų | 94.2 | 3% | 0.034 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 149.9 | 165.3 | -46.6 | 0 | 0 | 0 | 0 | 108.1 | C17 V20 T39 R40 K41 C43 | C17-C37 HydrophobicContact CB-CB 3.73Å; C17-C37 WeakPolarHBondContact CB-SG 3.12Å; C17-C37 WeakPolarHBondContact SG-CB 3.32Å; C17-C37 CovalentContact SG-SG 2.01Å; C17-C37 PolarHBondContact SG-SG 3.4Å; V20-C37 HydrophobicContact CG2-CB 3.8Å; C37-T39 PolarHBondContact O-N 3.44Å; C37-R40 PolarHBondContact O-N 3.22Å; C37-K41 PolarHBondContact N-O 2.78Å; C37-C43 PolarHBondContact N-SG 3.33Å; C37-C43 PolarHBondContact SG-SG 3.4Å |
| 38 | G | 70.3 | Confident | 67.5 | Low | 58 Ų | 58 | 98 Ų | 98 | 60% | 0.598 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | -17.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | R40 | G38-R40 VanDerWaalsContact C-N 3.28Å; G38-R40 PolarHBondContact O-N 3.32Å |
| 39 | T | 68.1 | Low | 65.8 | Low | 76 Ų | 76 | 101.5 Ų | 101.5 | 47% | 0.466 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 17.7 | 174.8 | 51.4 | 0 | 0 | 0 | 0 | 115.1 | V20 C37 K41 | V20-T39 HydrophobicContact CG1-CG2 3.66Å; C37-T39 PolarHBondContact O-N 3.44Å; T39-K41 PolarHBondContact O-N 3.25Å; T39-K41 VanDerWaalsContact O-N 3.11Å |
| 40 | R | 62.5 | Low | 65.6 | Low | 210 Ų | 210 | 103.8 Ų | 103.8 | 79% | 0.792 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 55.9 | 20.1 | -171.4 | -62.4 | -174 | 174.9 | -176.4 | -0.9 | 113.9 | L29 C37 G38 | L29-R40 WeakPolarHBondContact CD1-O 3.27Å; C37-R40 PolarHBondContact O-N 3.22Å; G38-R40 VanDerWaalsContact C-N 3.28Å; G38-R40 PolarHBondContact O-N 3.32Å |
| 41 | K | 66.8 | Low | 65.2 | Low | 136 Ų | 136 | 104.9 Ų | 104.9 | 59% | 0.591 | 55% | 0.552 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90 | 144.9 | 171.4 | -67.6 | -171.2 | 177.7 | -177.5 | 0 | 109.2 | L36 C37 T39 C43 | L36-K41 CarbonylContact C-O 3.53Å; L36-K41 WeakPolarHBondContact CA-O 2.96Å; C37-K41 PolarHBondContact N-O 2.78Å; T39-K41 PolarHBondContact O-N 3.25Å; T39-K41 VanDerWaalsContact O-N 3.11Å; K41-C43 PolarHBondContact O-N 2.98Å |
| 42 | R | 66.2 | Low | 64.8 | Low | 127 Ų | 127 | 99.9 Ų | 99.9 | 48% | 0.479 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 128.6 | 171 | -74.2 | -176.6 | 175.8 | 177.9 | -3.2 | 108.2 | L29 T32 L36 L44 | L29-R42 HydrophobicContact CD2-CG 4.11Å; L29-R42 PolarHBondContact O-NH2 2.8Å; T32-R42 PolarHBondContact OG1-NH2 2.76Å; L36-R42 HydrophobicContact CD2-CG 4.26Å; R42-L44 PolarHBondContact O-N 3.35Å |
| 43 | C | 71.1 | Confident | 64.5 | Low | 11 Ų | 11 | 101.4 Ų | 101.4 | 7% | 0.074 | 54% | 0.537 | C | S | . | . | trans | -63.4 | 109.6 | 162.9 | -85.4 | 0 | 0 | 0 | 0 | 106.5 | C24 R35 L36 C37 K41 I45 | C24-C43 HydrophobicContact CB-CB 3.84Å; C24-C43 WeakPolarHBondContact CB-SG 3.28Å; C24-C43 WeakPolarHBondContact SG-CB 3.08Å; C24-C43 CovalentContact SG-SG 1.99Å; C24-C43 PolarHBondContact SG-SG 2.86Å; R35-C43 HydrophobicContact CB-CB 4Å; R35-C43 WeakPolarHBondContact O-CA 3.49Å; R35-C43 VanDerWaalsContact O-CB 3.27Å; R35-C43 WeakPolarHBondContact O-CB 3.4Å; R35-C43 PolarHBondContact O-N 2.75Å; L36-C43 PolarHBondContact O-SG 2.81Å; C37-C43 PolarHBondContact N-SG 3.33Å; C37-C43 PolarHBondContact SG-SG 3.4Å; K41-C43 PolarHBondContact O-N 2.98Å; C43-I45 PolarHBondContact O-N 3.23Å | ||
| 44 | L | 63 | Low | 63.9 | Low | 149 Ų | 149 | 100.1 Ų | 100.1 | 78% | 0.78 | 53% | 0.534 | S | S | * | . | trans | -64.7 | 83.2 | 162.1 | -61.8 | 174.1 | 0 | 0 | 0 | 105.4 | R42 R46 | R42-L44 PolarHBondContact O-N 3.35Å; L44-R46 VanDerWaalsContact C-N 3.3Å; L44-R46 PolarHBondContact O-N 2.97Å | ||
| 45 | I | 57.7 | Low | 63.1 | Low | 88 Ų | 88 | 104.8 Ų | 104.8 | 45% | 0.451 | 55% | 0.55 | S | S | . | * | trans | -56.1 | 112.2 | 156.7 | -48.6 | -175.6 | 0 | 0 | 0 | 101.9 | S15 R35 C43 S47 | S15-I45 WeakPolarHBondContact OG-CD1 3.1Å; S15-I45 WeakPolarHBondContact OG-CG1 3.35Å; R35-I45 HydrophobicContact CB-CD1 4.31Å; R35-I45 HydrophobicContact CG-CD1 4.43Å; C43-I45 PolarHBondContact O-N 3.23Å; I45-S47 PolarHBondContact O-N 3.36Å | ||
| 46 | R | 52 | Low | 62.1 | Low | 217 Ų | 217 | 106.6 Ų | 106.6 | 82% | 0.819 | 57% | 0.568 | S | S | * | * | trans | -64 | 84.6 | 164.1 | -164.9 | 172.7 | 94.8 | 167.8 | 7.7 | 104.5 | L44 S48 | L44-R46 VanDerWaalsContact C-N 3.3Å; L44-R46 PolarHBondContact O-N 2.97Å; R46-S48 PolarHBondContact O-N 3.11Å | ||
| 47 | S | 49 | Very low | 60.9 | Low | 98 Ų | 98 | 113 Ų | 113 | 69% | 0.685 | 60% | 0.602 | S | S | * | * | trans | -54.6 | 101.2 | 159.2 | -63.9 | 0 | 0 | 0 | 0 | 102.9 | I45 S49 | I45-S47 PolarHBondContact O-N 3.36Å; S47-S49 PolarHBondContact O-N 2.88Å | ||
| 48 | S | 50.8 | Low | 59.8 | Low | 98 Ų | 98 | 122 Ų | 122 | 69% | 0.685 | 65% | 0.649 | S | S | * | * | trans | -61.2 | 122.3 | 163.1 | -56.9 | 0 | 0 | 0 | 0 | 103.4 | R46 | R46-S48 PolarHBondContact O-N 3.11Š| ||
| 49 | S | 39.8 | Very low | 58.8 | Low | 196 Ų | 196 | 127.8 Ų | 127.8 | 100% | 1.371 | 65% | 0.654 | S | S | * | * | trans | -32.3 | 0 | -171.3 | -61.2 | 0 | 0 | 0 | 0 | 115.6 | S47 | S47-S49 PolarHBondContact O-N 2.88Š|
Retrieved 49 of 49 residues in 146.8 ms
(Link to these results)