| 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 | 44.8 | Very low | 67.1 | Low | 228 Ų | 228 | 113.3 Ų | 113.3 | 100% | 1.123 | 66% | 0.659 | S | S | * | * | 0 | 109.1 | 0 | -60.1 | 160.7 | -165 | 0 | 0 | 107.1 | N3 | M1-N3 PolarHBondContact O-N 2.69Š| |||
| 2 | P | 55 | Low | 68.4 | Low | 106 Ų | 106 | 111 Ų | 111 | 69% | 0.688 | 65% | 0.648 | S | S | * | * | trans | -66.8 | 119.6 | 176.2 | 24.1 | -28.7 | 0 | 0 | 0 | 109.5 | W4 | P2-W4 HydrophobicContact CB-CE3 4.33Å; P2-W4 HydrophobicContact CB-CZ3 4.42Å; P2-W4 HydrophobicContact CG-CE3 4.07Å; P2-W4 HydrophobicContact CG-CZ3 3.97Å; P2-W4 PolarHBondContact O-N 3.46Å | ||
| 3 | N | 54.7 | Low | 69.8 | Low | 165 Ų | 165 | 105.4 Ų | 105.4 | 88% | 0.882 | 62% | 0.618 | S | S | * | * | trans | -62.8 | 92.5 | 178.7 | -105.8 | -57.4 | 0 | 0 | 0 | 109.7 | M1 G5 | M1-N3 PolarHBondContact O-N 2.69Å; N3-G5 PolarHBondContact O-N 2.98Å | ||
| 4 | W | 51.3 | Low | 70.6 | Confident | 237 Ų | 237 | 108.7 Ų | 108.7 | 90% | 0.898 | 62% | 0.624 | S | S | * | * | trans | -77.9 | 21.3 | -179.3 | -131.3 | -76.1 | 0 | 0 | 0 | 114.1 | P2 | P2-W4 HydrophobicContact CB-CE3 4.33Å; P2-W4 HydrophobicContact CB-CZ3 4.42Å; P2-W4 HydrophobicContact CG-CE3 4.07Å; P2-W4 HydrophobicContact CG-CZ3 3.97Å; P2-W4 PolarHBondContact O-N 3.46Å | ||
| 5 | G | 57 | Low | 71.6 | Confident | 66 Ų | 66 | 110.9 Ų | 110.9 | 68% | 0.68 | 62% | 0.624 | S | S | * | * | trans | -117.3 | 33 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | N3 G7 | N3-G5 PolarHBondContact O-N 2.98Å; G5-G7 PolarHBondContact O-N 2.83Å | ||
| 6 | G | 66.1 | Low | 72.6 | Confident | 79 Ų | 79 | 108.3 Ų | 108.3 | 81% | 0.814 | 61% | 0.612 | S | S | * | * | trans | -71.8 | 59.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 7 | G | 74.7 | Confident | 73.4 | Confident | 44 Ų | 44 | 102.3 Ų | 102.3 | 45% | 0.454 | 58% | 0.578 | S | S | . | * | P | Polyproline II helix | trans | -62.2 | 146.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | G5 K9 | G5-G7 PolarHBondContact O-N 2.83Å; G7-K9 PolarHBondContact O-N 3.27Å |
| 8 | K | 80.8 | Confident | 73.9 | Confident | 118 Ų | 118 | 106.2 Ų | 106.2 | 51% | 0.513 | 58% | 0.583 | S | S | . | * | P | Polyproline II helix | trans | -66 | 133 | 173.2 | -59.9 | -75.3 | -171.4 | 163.6 | 0 | 108.4 | V17 S29 | K8-V17 PolarHBondContact O-N 2.94Å; K8-S29 VanDerWaalsContact CB-CB 3.47Å; K8-S29 WeakPolarHBondContact CB-OG 3.42Å; K8-S29 VanDerWaalsContact CG-OG 3.29Å; K8-S29 WeakPolarHBondContact CG-OG 3.4Å |
| 9 | K | 86.3 | Confident | 74.2 | Confident | 149 Ų | 149 | 110.2 Ų | 110.2 | 65% | 0.648 | 60% | 0.595 | S | S | * | * | B | Isolated β-bridge | trans | -95.7 | 145.6 | 176.5 | 62.4 | 178.3 | 178.7 | 178.2 | 0 | 110.5 | G7 G11 | G7-K9 PolarHBondContact O-N 3.27Å; K9-G11 PolarHBondContact O-N 3Å |
| 10 | C | 87.2 | Confident | 74.6 | Confident | 1 Ų | 1 | 109.1 Ų | 109.1 | 1% | 0.007 | 60% | 0.601 | C | S | . | * | P | Polyproline II helix | trans | -65.6 | 126.1 | 177.6 | -173.9 | 0 | 0 | 0 | 0 | 110.2 | V12 C13 Q14 K15 V17 S29 H31 C34 | C10-V12 PolarHBondContact O-N 3.12Å; C10-C13 WeakPolarHBondContact CB-SG 3.22Å; C10-Q14 WeakPolarHBondContact O-CA 3.26Å; C10-Q14 PolarHBondContact O-N 3.16Å; C10-K15 WeakPolarHBondContact CB-O 3.17Å; C10-K15 PolarHBondContact N-O 3.48Å; C10-V17 HydrophobicContact CB-CG2 3.68Å; C10-V17 VanDerWaalsContact N-CG2 3.32Å; C10-S29 VanDerWaalsContact CA-O 3.28Å; C10-S29 WeakPolarHBondContact CA-O 3.47Å; C10-H31 VanDerWaalsContact CB-CE1 3.48Å; C10-H31 WeakPolarHBondContact CB-CE1 3.42Å; C10-H31 WeakPolarHBondContact CB-ND1 3.2Å; C10-H31 PolarHBondContact SG-ND1 2.87Å; C10-C34 VanDerWaalsContact SG-CB 3.54Å |
| 11 | G | 80.1 | Confident | 74.8 | Confident | 53 Ų | 53 | 108.8 Ų | 108.8 | 55% | 0.546 | 60% | 0.595 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.6 | -27 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | K9 | K9-G11 PolarHBondContact O-N 3Š|
| 12 | V | 82.6 | Confident | 76.5 | Confident | 86 Ų | 86 | 100.1 Ų | 100.1 | 52% | 0.521 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.5 | -54.6 | -176.7 | 179.4 | 0 | 0 | 0 | 0 | 112.3 | C10 F30 C34 | C10-V12 PolarHBondContact O-N 3.12Å; V12-F30 HydrophobicContact CG2-CD1 3.84Å; V12-F30 HydrophobicContact CG2-CE1 3.94Å; V12-C34 HydrophobicContact CB-CB 4.06Å; V12-C34 HydrophobicContact CG1-CB 4.37Å; V12-C34 HydrophobicContact CG2-CB 4.5Å |
| 13 | C | 86.1 | Confident | 78 | Confident | 38 Ų | 38 | 96.3 Ų | 96.3 | 26% | 0.257 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -0.9 | -174.5 | 77.4 | 0 | 0 | 0 | 0 | 114.1 | C10 K15 H31 | C10-C13 WeakPolarHBondContact CB-SG 3.22Å; C13-K15 PolarHBondContact O-N 3.15Å; C13-K15 WeakPolarHBondContact SG-CE 3.11Å; C13-H31 PolarHBondContact SG-CE1 3.44Å; C13-H31 PolarHBondContact SG-ND1 3.04Å |
| 14 | Q | 81.5 | Confident | 79.3 | Confident | 152 Ų | 152 | 94.9 Ų | 94.9 | 71% | 0.71 | 52% | 0.515 | S | S | * | . | trans | 59.6 | -2.2 | 179.8 | -54.2 | 180 | 33 | 0 | 0 | 115.7 | C10 | C10-Q14 WeakPolarHBondContact O-CA 3.26Å; C10-Q14 PolarHBondContact O-N 3.16Å | ||
| 15 | K | 86.1 | Confident | 80.5 | Confident | 141 Ų | 141 | 84.2 Ų | 84.2 | 61% | 0.613 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -74.5 | 150.9 | 174.3 | -68.2 | 176.7 | -79.8 | -178.6 | 0 | 110.7 | C10 C13 V17 H31 | C10-K15 WeakPolarHBondContact CB-O 3.17Å; C10-K15 PolarHBondContact N-O 3.48Å; C13-K15 PolarHBondContact O-N 3.15Å; C13-K15 WeakPolarHBondContact SG-CE 3.11Å; K15-V17 PolarHBondContact O-N 3.01Å; K15-H31 PolarHBondContact O-CE1 2.81Å |
| 16 | T | 86.9 | Confident | 81.4 | Confident | 70 Ų | 70 | 89.1 Ų | 89.1 | 43% | 0.429 | 48% | 0.481 | S | S | . | . | B | Isolated β-bridge | trans | -57.1 | 132.1 | 173.5 | -44.8 | 0 | 0 | 0 | 0 | 110.1 | H31 | T16-H31 PolarHBondContact O-NE2 2.86Å |
| 17 | V | 85.7 | Confident | 82 | Confident | 6 Ų | 6 | 88 Ų | 88 | 4% | 0.036 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -96.3 | 122.1 | 175.1 | -157.4 | 0 | 0 | 0 | 0 | 107.4 | K8 C10 K15 E22 | K8-V17 PolarHBondContact O-N 2.94Å; C10-V17 HydrophobicContact CB-CG2 3.68Å; C10-V17 VanDerWaalsContact N-CG2 3.32Å; K15-V17 PolarHBondContact O-N 3.01Å; V17-E22 HydrophobicContact CB-CB 4.06Å; V17-E22 VanDerWaalsContact CG1-CA 3.42Å; V17-E22 HydrophobicContact CG1-CB 3.26Å |
| 18 | Y | 83.5 | Confident | 82.3 | Confident | 173 Ų | 173 | 90 Ų | 90 | 68% | 0.678 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -85.7 | 148.2 | 175.3 | -62.1 | -74.3 | 0 | 0 | 0 | 109.5 | A20 E21 E22 | Y18-A20 PolarHBondContact O-N 3.01Å; Y18-E21 PolarHBondContact O-N 2.9Å; Y18-E22 PolarHBondContact O-N 3.28Å; Y18-E22 VanDerWaalsContact O-N 3.13Å |
| 19 | F | 80.1 | Confident | 82.5 | Confident | 182 Ų | 182 | 84.5 Ų | 84.5 | 80% | 0.798 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.3 | -32.3 | -178.1 | -175.8 | -104.7 | 0 | 0 | 0 | 114.5 | E21 E22 | F19-E21 PolarHBondContact O-N 3.03Å; F19-E22 WeakPolarHBondContact CA-OE1 3.34Å |
| 20 | A | 81 | Confident | 82.6 | Confident | 87 Ų | 87 | 78 Ų | 78 | 72% | 0.719 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -29.1 | 180 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y18 | Y18-A20 PolarHBondContact O-N 3.01Š|
| 21 | E | 78.6 | Confident | 82.7 | Confident | 104 Ų | 104 | 79.2 Ų | 79.2 | 49% | 0.486 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.2 | 9.2 | -172.1 | -67.3 | -67.2 | 134.2 | 0 | 0 | 112.3 | Y18 F19 H31 K32 | Y18-E21 PolarHBondContact O-N 2.9Å; F19-E21 PolarHBondContact O-N 3.03Å; E21-H31 CarbonylContact O-C 3.57Å; E21-H31 WeakPolarHBondContact O-CA 3.34Å; E21-K32 PolarHBondContact O-N 3.2Å |
| 22 | E | 81.9 | Confident | 82.9 | Confident | 45 Ų | 45 | 83.3 Ų | 83.3 | 21% | 0.21 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 125.5 | -179 | 79.6 | 176.7 | 126.8 | 0 | 0 | 112.3 | V17 Y18 F19 S29 F30 | V17-E22 HydrophobicContact CB-CB 4.06Å; V17-E22 VanDerWaalsContact CG1-CA 3.42Å; V17-E22 HydrophobicContact CG1-CB 3.26Å; Y18-E22 PolarHBondContact O-N 3.28Å; Y18-E22 VanDerWaalsContact O-N 3.13Å; F19-E22 WeakPolarHBondContact CA-OE1 3.34Å; E22-S29 WeakPolarHBondContact OE2-CB 3.39Å; E22-S29 PolarHBondContact OE2-OG 2.78Å; E22-F30 CarbonylContact C-O 3.5Å; E22-F30 WeakPolarHBondContact CA-O 3.33Å |
| 23 | V | 86 | Confident | 83 | Confident | 27 Ų | 27 | 83 Ų | 83 | 16% | 0.164 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 115.9 | 165 | -173.3 | 0 | 0 | 0 | 0 | 106.6 | F30 K32 F35 | V23-F30 PolarHBondContact N-O 3.48Å; V23-F30 PolarHBondContact O-N 2.94Å; V23-K32 HydrophobicContact CG2-CB 4.49Å; V23-F35 HydrophobicContact CB-CD1 4.36Å; V23-F35 HydrophobicContact CB-CD2 4.31Å; V23-F35 HydrophobicContact CB-CG 4.18Å; V23-F35 HydrophobicContact CG1-CD1 3.8Å; V23-F35 HydrophobicContact CG1-CD2 4.16Å; V23-F35 HydrophobicContact CG1-CE1 3.69Å; V23-F35 HydrophobicContact CG1-CE2 4.05Å; V23-F35 HydrophobicContact CG1-CG 4.03Å; V23-F35 HydrophobicContact CG1-CZ 3.79Å; V23-F35 HydrophobicContact CG2-CB 4.47Å; V23-F35 HydrophobicContact CG2-CG 4.48Å |
| 24 | Q | 80.7 | Confident | 83 | Confident | 135 Ų | 135 | 82.1 Ų | 82.1 | 63% | 0.631 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 130.1 | 175.6 | -67.8 | -178.1 | -3.3 | 0 | 0 | 109.7 | N28 | Q24-N28 WeakPolarHBondContact CA-O 2.96Å |
| 25 | C | 78.1 | Confident | 83.4 | Confident | 13 Ų | 13 | 74.9 Ų | 74.9 | 9% | 0.088 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 116 | 179 | -163.9 | 0 | 0 | 0 | 0 | 109 | G27 N28 F30 F35 V51 | C25-G27 PolarHBondContact O-N 3.02Å; C25-N28 PolarHBondContact N-O 2.94Å; C25-N28 PolarHBondContact O-N 3.16Å; C25-F30 HydrophobicContact CB-CD2 4.1Å; C25-F30 HydrophobicContact CB-CE2 3.96Å; C25-F35 HydrophobicContact CB-CE2 3.68Å; C25-F35 HydrophobicContact CB-CZ 3.97Å; C25-V51 WeakPolarHBondContact SG-CG2 3.36Å |
| 26 | E | 74.7 | Confident | 83.5 | Confident | 168 Ų | 168 | 71.1 Ų | 71.1 | 79% | 0.785 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.6 | 36.2 | 179.4 | -135.6 | -176.7 | 127 | 0 | 0 | 115.3 | V51 | E26-V51 HydrophobicContact CB-CG2 4.32Å; E26-V51 WeakPolarHBondContact OE2-CB 3.1Å |
| 27 | G | 79.2 | Confident | 83.7 | Confident | 56 Ų | 56 | 67.9 Ų | 67.9 | 58% | 0.577 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.7 | -10.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | C25 | C25-G27 PolarHBondContact O-N 3.02Š|
| 28 | N | 82.1 | Confident | 83.7 | Confident | 86 Ų | 86 | 73.1 Ų | 73.1 | 46% | 0.46 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 142.2 | 177.3 | -67.3 | -9.4 | 0 | 0 | 0 | 111.2 | Q24 C25 F30 | Q24-N28 WeakPolarHBondContact CA-O 2.96Å; C25-N28 PolarHBondContact N-O 2.94Å; C25-N28 PolarHBondContact O-N 3.16Å; N28-F30 HydrophobicContact CB-CE2 3.69Å; N28-F30 HydrophobicContact CB-CZ 3.97Å |
| 29 | S | 84.3 | Confident | 83.8 | Confident | 2 Ų | 2 | 68.7 Ų | 68.7 | 1% | 0.014 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 136.1 | 174.3 | -55.4 | 0 | 0 | 0 | 0 | 109.9 | K8 C10 E22 | K8-S29 VanDerWaalsContact CB-CB 3.47Å; K8-S29 WeakPolarHBondContact CB-OG 3.42Å; K8-S29 VanDerWaalsContact CG-OG 3.29Å; K8-S29 WeakPolarHBondContact CG-OG 3.4Å; C10-S29 VanDerWaalsContact CA-O 3.28Å; C10-S29 WeakPolarHBondContact CA-O 3.47Å; E22-S29 WeakPolarHBondContact OE2-CB 3.39Å; E22-S29 PolarHBondContact OE2-OG 2.78Å |
| 30 | F | 87.7 | Confident | 84.2 | Confident | 13 Ų | 13 | 62.2 Ų | 62.2 | 6% | 0.057 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 150.5 | 174.6 | -61 | -88.9 | 0 | 0 | 0 | 109.6 | V12 E22 V23 C25 N28 F35 I56 | V12-F30 HydrophobicContact CG2-CD1 3.84Å; V12-F30 HydrophobicContact CG2-CE1 3.94Å; E22-F30 CarbonylContact C-O 3.5Å; E22-F30 WeakPolarHBondContact CA-O 3.33Å; V23-F30 PolarHBondContact N-O 3.48Å; V23-F30 PolarHBondContact O-N 2.94Å; C25-F30 HydrophobicContact CB-CD2 4.1Å; C25-F30 HydrophobicContact CB-CE2 3.96Å; N28-F30 HydrophobicContact CB-CE2 3.69Å; N28-F30 HydrophobicContact CB-CZ 3.97Å; F30-F35 HydrophobicContact CB-CB 4.44Å; F30-F35 HydrophobicContact CB-CD2 3.77Å; F30-F35 AromaticContact CD2-CD2 3.95Å; F30-F35 HydrophobicContact CD2-CD2 3.95Å; F30-F35 AromaticContact CD2-CE2 3.96Å; F30-F35 HydrophobicContact CD2-CE2 3.96Å; F30-F35 AromaticContact CG-CD2 3.93Å; F30-F35 HydrophobicContact CG-CD2 3.93Å; F30-F35 HydrophobicContact CG-CE2 4.41Å; F30-I56 HydrophobicContact CE2-CG2 4.48Å; F30-I56 HydrophobicContact CZ-CG2 4.32Å |
| 31 | H | 88.9 | Confident | 84.5 | Confident | 27 Ų | 27 | 66.1 Ų | 66.1 | 13% | 0.125 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 147.3 | 167.7 | -58.3 | 97.9 | 0 | 0 | 0 | 110 | C10 C13 K15 T16 E21 S33 C34 F35 | C10-H31 VanDerWaalsContact CB-CE1 3.48Å; C10-H31 WeakPolarHBondContact CB-CE1 3.42Å; C10-H31 WeakPolarHBondContact CB-ND1 3.2Å; C10-H31 PolarHBondContact SG-ND1 2.87Å; C13-H31 PolarHBondContact SG-CE1 3.44Å; C13-H31 PolarHBondContact SG-ND1 3.04Å; K15-H31 PolarHBondContact O-CE1 2.81Å; T16-H31 PolarHBondContact O-NE2 2.86Å; E21-H31 CarbonylContact O-C 3.57Å; E21-H31 WeakPolarHBondContact O-CA 3.34Å; H31-S33 PolarHBondContact O-N 3.25Å; H31-S33 VanDerWaalsContact O-N 3.08Å; H31-C34 HydrophobicContact CB-CB 3.94Å; H31-C34 CarbonylContact O-C 3.59Å; H31-C34 WeakPolarHBondContact O-CA 3.45Å; H31-C34 PolarHBondContact O-N 2.83Å; H31-F35 PolarHBondContact O-N 3.17Å |
| 32 | K | 84.8 | Confident | 84.9 | Confident | 138 Ų | 138 | 67.4 Ų | 67.4 | 60% | 0.6 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.7 | -35.9 | 170.6 | -162.5 | 173.6 | -156.3 | -78.3 | 0 | 113.5 | E21 V23 | E21-K32 PolarHBondContact O-N 3.2Å; V23-K32 HydrophobicContact CG2-CB 4.49Å |
| 33 | S | 84.7 | Confident | 85.1 | Confident | 81 Ų | 81 | 70.5 Ų | 70.5 | 57% | 0.566 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -24.9 | 175.8 | 57 | 0 | 0 | 0 | 0 | 114.2 | H31 L36 | H31-S33 PolarHBondContact O-N 3.25Å; H31-S33 VanDerWaalsContact O-N 3.08Å; S33-L36 WeakPolarHBondContact O-CG 3.28Å |
| 34 | C | 87.2 | Confident | 85.1 | Confident | 19 Ų | 19 | 70 Ų | 70 | 13% | 0.128 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -12.1 | 177.4 | -67.7 | 0 | 0 | 0 | 0 | 113.1 | C10 V12 H31 L36 | C10-C34 VanDerWaalsContact SG-CB 3.54Å; V12-C34 HydrophobicContact CB-CB 4.06Å; V12-C34 HydrophobicContact CG1-CB 4.37Å; V12-C34 HydrophobicContact CG2-CB 4.5Å; H31-C34 HydrophobicContact CB-CB 3.94Å; H31-C34 CarbonylContact O-C 3.59Å; H31-C34 WeakPolarHBondContact O-CA 3.45Å; H31-C34 PolarHBondContact O-N 2.83Å; C34-L36 PolarHBondContact O-N 3.43Å |
| 35 | F | 89 | Confident | 85.2 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 36% | 0.355 | C | S | . | . | trans | -77.1 | 71.1 | 179.7 | -155.7 | -120.5 | 0 | 0 | 0 | 110.7 | V23 C25 F30 H31 L44 V49 I56 | V23-F35 HydrophobicContact CB-CD1 4.36Å; V23-F35 HydrophobicContact CB-CD2 4.31Å; V23-F35 HydrophobicContact CB-CG 4.18Å; V23-F35 HydrophobicContact CG1-CD1 3.8Å; V23-F35 HydrophobicContact CG1-CD2 4.16Å; V23-F35 HydrophobicContact CG1-CE1 3.69Å; V23-F35 HydrophobicContact CG1-CE2 4.05Å; V23-F35 HydrophobicContact CG1-CG 4.03Å; V23-F35 HydrophobicContact CG1-CZ 3.79Å; V23-F35 HydrophobicContact CG2-CB 4.47Å; V23-F35 HydrophobicContact CG2-CG 4.48Å; C25-F35 HydrophobicContact CB-CE2 3.68Å; C25-F35 HydrophobicContact CB-CZ 3.97Å; F30-F35 HydrophobicContact CB-CB 4.44Å; F30-F35 HydrophobicContact CB-CD2 3.77Å; F30-F35 AromaticContact CD2-CD2 3.95Å; F30-F35 HydrophobicContact CD2-CD2 3.95Å; F30-F35 AromaticContact CD2-CE2 3.96Å; F30-F35 HydrophobicContact CD2-CE2 3.96Å; F30-F35 AromaticContact CG-CD2 3.93Å; F30-F35 HydrophobicContact CG-CD2 3.93Å; F30-F35 HydrophobicContact CG-CE2 4.41Å; H31-F35 PolarHBondContact O-N 3.17Å; F35-L44 HydrophobicContact CD1-CB 3.45Å; F35-L44 VanDerWaalsContact CD1-CB 3.45Å; F35-L44 WeakPolarHBondContact CD1-O 3.45Å; F35-L44 HydrophobicContact CE1-CB 3.57Å; F35-L44 HydrophobicContact CG-CB 4.27Å; F35-L44 HydrophobicContact CZ-CB 4.5Å; F35-L44 PolarHBondContact O-N 3.09Å; F35-V49 HydrophobicContact CE1-CB 3.81Å; F35-V49 HydrophobicContact CE1-CG1 4.12Å; F35-V49 HydrophobicContact CE1-CG2 4.18Å; F35-V49 HydrophobicContact CE2-CG2 4.16Å; F35-V49 HydrophobicContact CZ-CB 3.57Å; F35-V49 HydrophobicContact CZ-CG1 3.74Å; F35-V49 HydrophobicContact CZ-CG2 3.54Å; F35-I56 HydrophobicContact CD2-CD1 3.68Å; F35-I56 HydrophobicContact CE2-CD1 3.99Å; F35-I56 HydrophobicContact CG-CD1 4.38Å | ||
| 36 | L | 88.9 | Confident | 85.2 | Confident | 62 Ų | 62 | 70.7 Ų | 70.7 | 33% | 0.325 | 38% | 0.382 | S | S | . | . | B | Isolated β-bridge | trans | -118.5 | 141.1 | -173.5 | -58.2 | 173.1 | 0 | 0 | 0 | 110.1 | S33 C34 M38 K42 N43 I56 | S33-L36 WeakPolarHBondContact O-CG 3.28Å; C34-L36 PolarHBondContact O-N 3.43Å; L36-M38 PolarHBondContact O-N 2.79Å; L36-K42 WeakPolarHBondContact CA-O 3.48Å; L36-N43 HydrophobicContact CD2-CB 4.21Å; L36-N43 VanDerWaalsContact CD2-ND2 3.31Å; L36-N43 WeakPolarHBondContact CD2-ND2 3.37Å; L36-I56 WeakPolarHBondContact O-CD1 3.44Å; L36-I56 WeakPolarHBondContact O-CG1 3.27Å |
| 37 | C | 90.6 | Very high | 85.6 | Confident | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.007 | 38% | 0.38 | C | S | . | . | trans | -67.4 | 130.7 | 172.8 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | V39 C40 K41 K42 L44 C58 | C37-V39 PolarHBondContact O-N 3.25Å; C37-V39 PolarHBondContact SG-N 2.81Å; C37-C40 WeakPolarHBondContact CB-SG 3.42Å; C37-K41 WeakPolarHBondContact O-CA 3.41Å; C37-K41 PolarHBondContact O-N 3.43Å; C37-K42 PolarHBondContact N-O 3.15Å; C37-L44 HydrophobicContact CB-CD1 3.97Å; C37-L44 HydrophobicContact CB-CD2 4.25Å; C37-L44 HydrophobicContact CB-CG 4.17Å; C37-C58 HydrophobicContact CB-CB 4.14Å; C37-C58 PolarHBondContact SG-N 3.2Å | ||
| 38 | M | 84.9 | Confident | 85.9 | Confident | 116 Ų | 116 | 68.5 Ų | 68.5 | 57% | 0.571 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -34.8 | 179.8 | -166.9 | -175.1 | -171.3 | 0 | 0 | 113.7 | L36 E55 I56 Y57 | L36-M38 PolarHBondContact O-N 2.79Å; M38-E55 VanDerWaalsContact CE-OE1 3.29Å; M38-E55 WeakPolarHBondContact CE-OE1 3.41Å; M38-E55 HydrophobicContact SD-CB 4.48Å; M38-E55 HydrophobicContact SD-CG 4.24Å; M38-I56 PolarHBondContact N-O 2.64Å; M38-I56 VanDerWaalsContact N-O 3.11Å; M38-Y57 HydrophobicContact CB-CE1 4.3Å |
| 39 | V | 86.4 | Confident | 86.1 | Confident | 81 Ų | 81 | 66 Ų | 66 | 49% | 0.491 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -47 | -175.5 | 179.5 | 0 | 0 | 0 | 0 | 112.5 | C37 Y57 C61 | C37-V39 PolarHBondContact O-N 3.25Å; C37-V39 PolarHBondContact SG-N 2.81Å; V39-Y57 HydrophobicContact CG2-CD1 3.71Å; V39-Y57 HydrophobicContact CG2-CE1 3.61Å; V39-C61 HydrophobicContact CB-CB 3.97Å; V39-C61 HydrophobicContact CG1-CB 4.28Å; V39-C61 HydrophobicContact CG2-CB 4.26Å |
| 40 | C | 89.2 | Confident | 86.3 | Confident | 46 Ų | 46 | 66.9 Ų | 66.9 | 31% | 0.311 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -4.6 | -173.5 | 66.6 | 0 | 0 | 0 | 0 | 114.2 | C37 K42 C58 | C37-C40 WeakPolarHBondContact CB-SG 3.42Å; C40-K42 HydrophobicContact CB-CG 4.37Å; C40-K42 PolarHBondContact O-N 3.07Å; C40-C58 VanDerWaalsContact SG-SG 3.63Å |
| 41 | K | 86 | Confident | 86.1 | Confident | 168 Ų | 168 | 68.1 Ų | 68.1 | 73% | 0.73 | 37% | 0.373 | S | S | * | . | trans | 51.4 | 17.4 | -175.6 | -58 | -171.5 | -180 | -169.4 | 0 | 114.8 | C37 | C37-K41 WeakPolarHBondContact O-CA 3.41Å; C37-K41 PolarHBondContact O-N 3.43Å | ||
| 42 | K | 86.6 | Confident | 85.7 | Confident | 131 Ų | 131 | 70.2 Ų | 70.2 | 57% | 0.57 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -76.9 | 142.4 | 174.4 | -68.3 | -162.4 | -63.2 | -179 | 0 | 110 | L36 C37 C40 L44 | L36-K42 WeakPolarHBondContact CA-O 3.48Å; C37-K42 PolarHBondContact N-O 3.15Å; C40-K42 HydrophobicContact CB-CG 4.37Å; C40-K42 PolarHBondContact O-N 3.07Å; K42-L44 PolarHBondContact O-N 3Å |
| 43 | N | 87.2 | Confident | 85.5 | Confident | 111 Ų | 111 | 67 Ų | 67 | 59% | 0.594 | 39% | 0.388 | S | S | * | . | B | Isolated β-bridge | trans | -55 | 126.2 | 165.5 | -60.4 | 85.8 | 0 | 0 | 0 | 109.8 | L36 | L36-N43 HydrophobicContact CD2-CB 4.21Å; L36-N43 VanDerWaalsContact CD2-ND2 3.31Å; L36-N43 WeakPolarHBondContact CD2-ND2 3.37Å |
| 44 | L | 85.4 | Confident | 85.2 | Confident | 15 Ų | 15 | 72 Ų | 72 | 8% | 0.079 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -93.4 | 162.8 | 172.4 | -67.5 | 161.2 | 0 | 0 | 0 | 108.3 | F35 C37 K42 V49 I56 C58 | F35-L44 HydrophobicContact CD1-CB 3.45Å; F35-L44 VanDerWaalsContact CD1-CB 3.45Å; F35-L44 WeakPolarHBondContact CD1-O 3.45Å; F35-L44 HydrophobicContact CE1-CB 3.57Å; F35-L44 HydrophobicContact CG-CB 4.27Å; F35-L44 HydrophobicContact CZ-CB 4.5Å; F35-L44 PolarHBondContact O-N 3.09Å; C37-L44 HydrophobicContact CB-CD1 3.97Å; C37-L44 HydrophobicContact CB-CD2 4.25Å; C37-L44 HydrophobicContact CB-CG 4.17Å; K42-L44 PolarHBondContact O-N 3Å; L44-V49 HydrophobicContact CB-CB 4.43Å; L44-V49 HydrophobicContact CD1-CG2 4.18Å; L44-I56 HydrophobicContact CD1-CB 4.31Å; L44-I56 HydrophobicContact CD1-CD1 4.07Å; L44-I56 HydrophobicContact CD1-CG1 4.28Å; L44-C58 HydrophobicContact CD2-CB 3.39Å |
| 45 | D | 83.5 | Confident | 85.1 | Confident | 69 Ų | 69 | 74.6 Ų | 74.6 | 37% | 0.369 | 41% | 0.413 | S | S | . | . | trans | -125.2 | 167.5 | 167.5 | 61.8 | -91 | 0 | 0 | 0 | 108.3 | T47 T48 V49 | D45-T47 PolarHBondContact O-N 2.76Å; D45-T47 VanDerWaalsContact OD2-CA 3.26Å; D45-T47 WeakPolarHBondContact OD2-CA 3.44Å; D45-T47 WeakPolarHBondContact OD2-CB 3.48Å; D45-T47 PolarHBondContact OD2-N 2.9Å; D45-T47 PolarHBondContact OD2-OG1 2.96Å; D45-T48 VanDerWaalsContact CG-OG1 3.26Å; D45-T48 PolarHBondContact N-OG1 2.88Å; D45-T48 PolarHBondContact O-N 3.1Å; D45-T48 VanDerWaalsContact O-N 3.15Å; D45-T48 WeakPolarHBondContact OD1-CB 3.25Å; D45-T48 WeakPolarHBondContact OD1-CG2 3.29Å; D45-T48 PolarHBondContact OD1-OG1 2.92Å; D45-T48 PolarHBondContact OD2-N 3.18Å; D45-V49 PolarHBondContact O-N 3.17Å | ||
| 46 | S | 78.9 | Confident | 85 | Confident | 94 Ų | 94 | 75.3 Ų | 75.3 | 66% | 0.657 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -16.1 | -179.4 | 48.2 | 0 | 0 | 0 | 0 | 114.1 | ||
| 47 | T | 81.6 | Confident | 85 | Confident | 122 Ų | 122 | 72.9 Ų | 72.9 | 75% | 0.748 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | -28.1 | -179.2 | -39.9 | 0 | 0 | 0 | 0 | 112.9 | D45 | D45-T47 PolarHBondContact O-N 2.76Å; D45-T47 VanDerWaalsContact OD2-CA 3.26Å; D45-T47 WeakPolarHBondContact OD2-CA 3.44Å; D45-T47 WeakPolarHBondContact OD2-CB 3.48Å; D45-T47 PolarHBondContact OD2-N 2.9Å; D45-T47 PolarHBondContact OD2-OG1 2.96Å |
| 48 | T | 85.2 | Confident | 85 | Confident | 57 Ų | 57 | 73.3 Ų | 73.3 | 35% | 0.35 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | -3.6 | -174.7 | 64.8 | 0 | 0 | 0 | 0 | 115 | D45 C58 K59 | D45-T48 VanDerWaalsContact CG-OG1 3.26Å; D45-T48 PolarHBondContact N-OG1 2.88Å; D45-T48 PolarHBondContact O-N 3.1Å; D45-T48 VanDerWaalsContact O-N 3.15Å; D45-T48 WeakPolarHBondContact OD1-CB 3.25Å; D45-T48 WeakPolarHBondContact OD1-CG2 3.29Å; D45-T48 PolarHBondContact OD1-OG1 2.92Å; D45-T48 PolarHBondContact OD2-N 3.18Å; T48-C58 WeakPolarHBondContact O-CA 3.43Å; T48-K59 PolarHBondContact O-N 2.89Å |
| 49 | V | 86.4 | Confident | 85.2 | Confident | 32 Ų | 32 | 75.8 Ų | 75.8 | 19% | 0.194 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 140.7 | 173.6 | 64.5 | 0 | 0 | 0 | 0 | 112 | F35 L44 D45 V51 I56 Y57 | F35-V49 HydrophobicContact CE1-CB 3.81Å; F35-V49 HydrophobicContact CE1-CG1 4.12Å; F35-V49 HydrophobicContact CE1-CG2 4.18Å; F35-V49 HydrophobicContact CE2-CG2 4.16Å; F35-V49 HydrophobicContact CZ-CB 3.57Å; F35-V49 HydrophobicContact CZ-CG1 3.74Å; F35-V49 HydrophobicContact CZ-CG2 3.54Å; L44-V49 HydrophobicContact CB-CB 4.43Å; L44-V49 HydrophobicContact CD1-CG2 4.18Å; D45-V49 PolarHBondContact O-N 3.17Å; V49-V51 HydrophobicContact CG2-CG2 4.38Å; V49-I56 HydrophobicContact CG2-CB 4.11Å; V49-I56 HydrophobicContact CG2-CG2 4.2Å; V49-Y57 CarbonylContact C-O 3.49Å; V49-Y57 WeakPolarHBondContact CA-O 3.1Å |
| 50 | A | 88.8 | Confident | 85.2 | Confident | 22 Ų | 22 | 75.6 Ų | 75.6 | 18% | 0.182 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 122 | 166.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | Y57 Y62 | A50-Y57 PolarHBondContact N-O 3.03Å; A50-Y57 WeakPolarHBondContact O-CA 3.26Å; A50-Y57 WeakPolarHBondContact O-CB 3.46Å; A50-Y57 PolarHBondContact O-N 3.2Å; A50-Y62 HydrophobicContact CB-CD1 4.35Å; A50-Y62 HydrophobicContact CB-CD2 3.86Å; A50-Y62 HydrophobicContact CB-CG 3.73Å |
| 51 | V | 83.4 | Confident | 85.2 | Confident | 38 Ų | 38 | 73.5 Ų | 73.5 | 23% | 0.23 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 138.2 | 177.8 | -171.5 | 0 | 0 | 0 | 0 | 108.6 | C25 E26 V49 G53 E55 I56 | C25-V51 WeakPolarHBondContact SG-CG2 3.36Å; E26-V51 HydrophobicContact CB-CG2 4.32Å; E26-V51 WeakPolarHBondContact OE2-CB 3.1Å; V49-V51 HydrophobicContact CG2-CG2 4.38Å; V51-G53 WeakPolarHBondContact CG1-O 3.13Å; V51-E55 WeakPolarHBondContact CA-O 3.38Å; V51-I56 HydrophobicContact CG2-CG2 4.27Å |
| 52 | H | 81.8 | Confident | 85.3 | Confident | 72 Ų | 72 | 69.7 Ų | 69.7 | 33% | 0.333 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 98.1 | 169.6 | -170.6 | -73.8 | 0 | 0 | 0 | 109.1 | E54 E55 Y57 Y62 Y66 | H52-E54 PolarHBondContact O-N 3.46Å; H52-E55 PolarHBondContact N-O 3.2Å; H52-E55 PolarHBondContact O-N 2.92Å; H52-Y57 HydrophobicContact CB-CD2 3.99Å; H52-Y57 HydrophobicContact CB-CE2 3.86Å; H52-Y62 HydrophobicContact CB-CD2 4.36Å; H52-Y62 HydrophobicContact CB-CE2 3.96Å; H52-Y62 AromaticContact CD2-CE2 3.8Å; H52-Y66 HydrophobicContact CB-CD2 4.48Å; H52-Y66 HydrophobicContact CB-CE2 3.84Å; H52-Y66 AromaticContact CD2-CD1 3.63Å; H52-Y66 AromaticContact CD2-CD2 3.77Å; H52-Y66 AromaticContact CD2-CE1 3.45Å; H52-Y66 VanDerWaalsContact CD2-CE1 3.45Å; H52-Y66 WeakPolarHBondContact CD2-CE1 3.4Å; H52-Y66 AromaticContact CD2-CE2 3.59Å; H52-Y66 AromaticContact CD2-CG 3.79Å; H52-Y66 AromaticContact CD2-CZ 3.41Å; H52-Y66 VanDerWaalsContact CD2-CZ 3.41Å; H52-Y66 AromaticContact CE1-CE1 3.39Å; H52-Y66 WeakPolarHBondContact CE1-CE1 3.45Å; H52-Y66 AromaticContact CE1-CZ 3.55Å; H52-Y66 AromaticContact CG-CE1 3.85Å; H52-Y66 AromaticContact CG-CE2 3.54Å; H52-Y66 AromaticContact CG-CZ 3.36Å; H52-Y66 AromaticContact ND1-CE1 3.8Å; H52-Y66 AromaticContact ND1-CZ 3.44Å; H52-Y66 PolarHBondContact ND1-OH 2.8Å; H52-Y66 AromaticContact NE2-CD1 3.45Å; H52-Y66 WeakPolarHBondContact NE2-CD1 3.33Å; H52-Y66 AromaticContact NE2-CE1 3.14Å; H52-Y66 WeakPolarHBondContact NE2-CE1 3.4Å; H52-Y66 AromaticContact NE2-CZ 3.55Å |
| 53 | G | 80.5 | Confident | 85.2 | Confident | 70 Ų | 70 | 65.4 Ų | 65.4 | 72% | 0.722 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.5 | -120 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111 | V51 | V51-G53 WeakPolarHBondContact CG1-O 3.13Š|
| 54 | E | 78.1 | Confident | 85.1 | Confident | 187 Ų | 187 | 67.3 Ų | 67.3 | 87% | 0.874 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | 3.8 | -178 | -128.5 | 172.5 | 107.5 | 0 | 0 | 113.7 | H52 | H52-E54 PolarHBondContact O-N 3.46Š|
| 55 | E | 84 | Confident | 84.8 | Confident | 72 Ų | 72 | 73.3 Ų | 73.3 | 34% | 0.336 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 144.6 | -169.9 | -60.2 | 177.2 | 133.8 | 0 | 0 | 112.4 | M38 V51 H52 Y57 | M38-E55 VanDerWaalsContact CE-OE1 3.29Å; M38-E55 WeakPolarHBondContact CE-OE1 3.41Å; M38-E55 HydrophobicContact SD-CB 4.48Å; M38-E55 HydrophobicContact SD-CG 4.24Å; V51-E55 WeakPolarHBondContact CA-O 3.38Å; H52-E55 PolarHBondContact N-O 3.2Å; H52-E55 PolarHBondContact O-N 2.92Å; E55-Y57 HydrophobicContact CB-CD2 4.41Å; E55-Y57 HydrophobicContact CB-CE2 3.56Å; E55-Y57 PolarHBondContact OE2-OH 3.47Å |
| 56 | I | 86.8 | Confident | 84.8 | Confident | 15 Ų | 15 | 74.4 Ų | 74.4 | 8% | 0.077 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 131.2 | 179 | 60.1 | 170.6 | 0 | 0 | 0 | 112.5 | F30 F35 L36 M38 L44 V49 V51 | F30-I56 HydrophobicContact CE2-CG2 4.48Å; F30-I56 HydrophobicContact CZ-CG2 4.32Å; F35-I56 HydrophobicContact CD2-CD1 3.68Å; F35-I56 HydrophobicContact CE2-CD1 3.99Å; F35-I56 HydrophobicContact CG-CD1 4.38Å; L36-I56 WeakPolarHBondContact O-CD1 3.44Å; L36-I56 WeakPolarHBondContact O-CG1 3.27Å; M38-I56 PolarHBondContact N-O 2.64Å; M38-I56 VanDerWaalsContact N-O 3.11Å; L44-I56 HydrophobicContact CD1-CB 4.31Å; L44-I56 HydrophobicContact CD1-CD1 4.07Å; L44-I56 HydrophobicContact CD1-CG1 4.28Å; V49-I56 HydrophobicContact CG2-CB 4.11Å; V49-I56 HydrophobicContact CG2-CG2 4.2Å; V51-I56 HydrophobicContact CG2-CG2 4.27Å |
| 57 | Y | 90.4 | Very high | 84.7 | Confident | 12 Ų | 12 | 70.9 Ų | 70.9 | 5% | 0.047 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 159 | -178.8 | -62.4 | -86.9 | 0 | 0 | 0 | 110.8 | M38 V39 V49 A50 H52 E55 Y66 | M38-Y57 HydrophobicContact CB-CE1 4.3Å; V39-Y57 HydrophobicContact CG2-CD1 3.71Å; V39-Y57 HydrophobicContact CG2-CE1 3.61Å; V49-Y57 CarbonylContact C-O 3.49Å; V49-Y57 WeakPolarHBondContact CA-O 3.1Å; A50-Y57 PolarHBondContact N-O 3.03Å; A50-Y57 WeakPolarHBondContact O-CA 3.26Å; A50-Y57 WeakPolarHBondContact O-CB 3.46Å; A50-Y57 PolarHBondContact O-N 3.2Å; H52-Y57 HydrophobicContact CB-CD2 3.99Å; H52-Y57 HydrophobicContact CB-CE2 3.86Å; E55-Y57 HydrophobicContact CB-CD2 4.41Å; E55-Y57 HydrophobicContact CB-CE2 3.56Å; E55-Y57 PolarHBondContact OE2-OH 3.47Å; Y57-Y66 HydrophobicContact CE2-CE2 4.24Å |
| 58 | C | 90.6 | Very high | 84.3 | Confident | 10 Ų | 10 | 69.8 Ų | 69.8 | 7% | 0.068 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 153.6 | 165.2 | 70.7 | 0 | 0 | 0 | 0 | 110.1 | C37 C40 L44 T48 S60 C61 Y62 | C37-C58 HydrophobicContact CB-CB 4.14Å; C37-C58 PolarHBondContact SG-N 3.2Å; C40-C58 VanDerWaalsContact SG-SG 3.63Å; L44-C58 HydrophobicContact CD2-CB 3.39Å; T48-C58 WeakPolarHBondContact O-CA 3.43Å; C58-S60 PolarHBondContact O-N 2.97Å; C58-C61 PolarHBondContact O-N 3.36Å; C58-C61 VanDerWaalsContact SG-CB 3.57Å; C58-C61 PolarHBondContact SG-N 2.88Å; C58-C61 PolarHBondContact SG-SG 2.98Å; C58-Y62 WeakPolarHBondContact O-CB 3.28Å; C58-Y62 PolarHBondContact O-N 2.81Å |
| 59 | K | 88.4 | Confident | 83.1 | Confident | 168 Ų | 168 | 77.3 Ų | 77.3 | 73% | 0.73 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -45.5 | -41.1 | 175.4 | -170.3 | 172.6 | -173.7 | 172.8 | 0 | 113.3 | T48 G63 | T48-K59 PolarHBondContact O-N 2.89Å; K59-G63 PolarHBondContact O-N 3.4Å |
| 60 | S | 87.4 | Confident | 81.9 | Confident | 76 Ų | 76 | 79.5 Ų | 79.5 | 53% | 0.531 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -68.3 | -40.5 | 178 | -49 | 0 | 0 | 0 | 0 | 113.4 | C58 K64 | C58-S60 PolarHBondContact O-N 2.97Å; S60-K64 WeakPolarHBondContact O-CB 3.5Å; S60-K64 WeakPolarHBondContact O-CE 3.44Å; S60-K64 VanDerWaalsContact O-CG 3.28Å; S60-K64 WeakPolarHBondContact O-CG 2.99Å; S60-K64 PolarHBondContact O-N 3.17Å |
| 61 | C | 88.4 | Confident | 80.4 | Confident | 3 Ų | 3 | 87.7 Ų | 87.7 | 2% | 0.02 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -77.9 | -36.8 | 179.7 | -72.3 | 0 | 0 | 0 | 0 | 111.8 | V39 C58 K64 K65 | V39-C61 HydrophobicContact CB-CB 3.97Å; V39-C61 HydrophobicContact CG1-CB 4.28Å; V39-C61 HydrophobicContact CG2-CB 4.26Å; C58-C61 PolarHBondContact O-N 3.36Å; C58-C61 VanDerWaalsContact SG-CB 3.57Å; C58-C61 PolarHBondContact SG-N 2.88Å; C58-C61 PolarHBondContact SG-SG 2.98Å; C61-K64 PolarHBondContact O-N 3.47Å; C61-K64 VanDerWaalsContact O-N 3.16Å; C61-K65 WeakPolarHBondContact O-CG 3.14Å; C61-K65 PolarHBondContact O-N 3.49Å |
| 62 | Y | 87.8 | Confident | 79 | Confident | 88 Ų | 88 | 89.2 Ų | 89.2 | 35% | 0.345 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.6 | -50 | 172.3 | -175.3 | -92.2 | 0 | 0 | 0 | 111 | A50 H52 C58 K64 K65 Y66 G67 | A50-Y62 HydrophobicContact CB-CD1 4.35Å; A50-Y62 HydrophobicContact CB-CD2 3.86Å; A50-Y62 HydrophobicContact CB-CG 3.73Å; H52-Y62 HydrophobicContact CB-CD2 4.36Å; H52-Y62 HydrophobicContact CB-CE2 3.96Å; H52-Y62 AromaticContact CD2-CE2 3.8Å; C58-Y62 WeakPolarHBondContact O-CB 3.28Å; C58-Y62 PolarHBondContact O-N 2.81Å; Y62-K64 VanDerWaalsContact C-N 3.25Å; Y62-K64 PolarHBondContact O-N 3.38Å; Y62-K65 PolarHBondContact O-N 2.9Å; Y62-K65 VanDerWaalsContact O-N 3.16Å; Y62-Y66 AromaticContact CD2-CD2 3.62Å; Y62-Y66 HydrophobicContact CD2-CD2 3.62Å; Y62-Y66 HydrophobicContact CD2-CE2 4.26Å; Y62-Y66 HydrophobicContact CD2-CG 4.46Å; Y62-Y66 AromaticContact CE2-CD2 3.72Å; Y62-Y66 HydrophobicContact CE2-CD2 3.72Å; Y62-Y66 HydrophobicContact CE2-CE2 4.39Å; Y62-Y66 HydrophobicContact CE2-CG 4.21Å; Y62-Y66 HydrophobicContact CG-CD2 4.27Å; Y62-Y66 PolarHBondContact O-N 3.02Å; Y62-G67 PolarHBondContact O-N 2.99Å |
| 63 | G | 85.1 | Confident | 77.8 | Confident | 40 Ų | 40 | 97.2 Ų | 97.2 | 41% | 0.412 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.3 | -29 | 175 | 0 | 0 | 0 | 0 | 0 | 114 | K59 G67 | K59-G63 PolarHBondContact O-N 3.4Å; G63-G67 WeakPolarHBondContact O-CA 3.45Å; G63-G67 PolarHBondContact O-N 3.03Å; G63-G67 VanDerWaalsContact O-N 3.08Å |
| 64 | K | 84.5 | Confident | 76.7 | Confident | 152 Ų | 152 | 96.6 Ų | 96.6 | 66% | 0.661 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -76.1 | -31.3 | 175.2 | -78.6 | 179.8 | -78 | 174.8 | 0 | 113.5 | S60 C61 Y62 | S60-K64 WeakPolarHBondContact O-CB 3.5Å; S60-K64 WeakPolarHBondContact O-CE 3.44Å; S60-K64 VanDerWaalsContact O-CG 3.28Å; S60-K64 WeakPolarHBondContact O-CG 2.99Å; S60-K64 PolarHBondContact O-N 3.17Å; C61-K64 PolarHBondContact O-N 3.47Å; C61-K64 VanDerWaalsContact O-N 3.16Å; Y62-K64 VanDerWaalsContact C-N 3.25Å; Y62-K64 PolarHBondContact O-N 3.38Å |
| 65 | K | 80.1 | Confident | 75.5 | Confident | 140 Ų | 140 | 97.8 Ų | 97.8 | 61% | 0.609 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -94.6 | -43.3 | -176.2 | -68.5 | -70.7 | -67.2 | -173.9 | 0 | 112.9 | C61 Y62 | C61-K65 WeakPolarHBondContact O-CG 3.14Å; C61-K65 PolarHBondContact O-N 3.49Å; Y62-K65 PolarHBondContact O-N 2.9Å; Y62-K65 VanDerWaalsContact O-N 3.16Å |
| 66 | Y | 83.5 | Confident | 73.8 | Confident | 93 Ų | 93 | 96.9 Ų | 96.9 | 37% | 0.365 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | -8.8 | -176.2 | -57.7 | -75.8 | 0 | 0 | 0 | 113.5 | H52 Y57 Y62 | H52-Y66 HydrophobicContact CB-CD2 4.48Å; H52-Y66 HydrophobicContact CB-CE2 3.84Å; H52-Y66 AromaticContact CD2-CD1 3.63Å; H52-Y66 AromaticContact CD2-CD2 3.77Å; H52-Y66 AromaticContact CD2-CE1 3.45Å; H52-Y66 VanDerWaalsContact CD2-CE1 3.45Å; H52-Y66 WeakPolarHBondContact CD2-CE1 3.4Å; H52-Y66 AromaticContact CD2-CE2 3.59Å; H52-Y66 AromaticContact CD2-CG 3.79Å; H52-Y66 AromaticContact CD2-CZ 3.41Å; H52-Y66 VanDerWaalsContact CD2-CZ 3.41Å; H52-Y66 AromaticContact CE1-CE1 3.39Å; H52-Y66 WeakPolarHBondContact CE1-CE1 3.45Å; H52-Y66 AromaticContact CE1-CZ 3.55Å; H52-Y66 AromaticContact CG-CE1 3.85Å; H52-Y66 AromaticContact CG-CE2 3.54Å; H52-Y66 AromaticContact CG-CZ 3.36Å; H52-Y66 AromaticContact ND1-CE1 3.8Å; H52-Y66 AromaticContact ND1-CZ 3.44Å; H52-Y66 PolarHBondContact ND1-OH 2.8Å; H52-Y66 AromaticContact NE2-CD1 3.45Å; H52-Y66 WeakPolarHBondContact NE2-CD1 3.33Å; H52-Y66 AromaticContact NE2-CE1 3.14Å; H52-Y66 WeakPolarHBondContact NE2-CE1 3.4Å; H52-Y66 AromaticContact NE2-CZ 3.55Å; Y57-Y66 HydrophobicContact CE2-CE2 4.24Å; Y62-Y66 AromaticContact CD2-CD2 3.62Å; Y62-Y66 HydrophobicContact CD2-CD2 3.62Å; Y62-Y66 HydrophobicContact CD2-CE2 4.26Å; Y62-Y66 HydrophobicContact CD2-CG 4.46Å; Y62-Y66 AromaticContact CE2-CD2 3.72Å; Y62-Y66 HydrophobicContact CE2-CD2 3.72Å; Y62-Y66 HydrophobicContact CE2-CE2 4.39Å; Y62-Y66 HydrophobicContact CE2-CG 4.21Å; Y62-Y66 HydrophobicContact CG-CD2 4.27Å; Y62-Y66 PolarHBondContact O-N 3.02Å |
| 67 | G | 76.8 | Confident | 72.3 | Confident | 20 Ų | 20 | 101 Ų | 101 | 21% | 0.206 | 56% | 0.56 | C | S | . | * | S | Bend | trans | -66.2 | 161.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y62 G63 K69 | Y62-G67 PolarHBondContact O-N 2.99Å; G63-G67 WeakPolarHBondContact O-CA 3.45Å; G63-G67 PolarHBondContact O-N 3.03Å; G63-G67 VanDerWaalsContact O-N 3.08Å; G67-K69 PolarHBondContact O-N 2.85Å |
| 68 | P | 71.9 | Confident | 70.6 | Confident | 99 Ų | 99 | 103.9 Ų | 103.9 | 64% | 0.643 | 59% | 0.594 | S | S | * | * | trans | -53.7 | 107.9 | -173.7 | 22.3 | -33.6 | 0 | 0 | 0 | 110.8 | G70 Y71 | P68-G70 PolarHBondContact O-N 3.06Å; P68-Y71 PolarHBondContact O-N 2.87Å | ||
| 69 | K | 61.3 | Low | 68.7 | Low | 214 Ų | 214 | 109.6 Ų | 109.6 | 93% | 0.93 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | 70.1 | 179.3 | -170.5 | 100.4 | 172.9 | 164.9 | 0 | 109.6 | G67 | G67-K69 PolarHBondContact O-N 2.85Š|
| 70 | G | 61.3 | Low | 66.9 | Low | 79 Ų | 79 | 108.8 Ų | 108.8 | 81% | 0.814 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 157.7 | -16.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | P68 | P68-G70 PolarHBondContact O-N 3.06Š|
| 71 | Y | 56.8 | Low | 65.5 | Low | 194 Ų | 194 | 109.5 Ų | 109.5 | 76% | 0.761 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -110.2 | 96.7 | 175 | -140.8 | 93.9 | 0 | 0 | 0 | 109.1 | P68 Y73 | P68-Y71 PolarHBondContact O-N 2.87Å; Y71-Y73 PolarHBondContact O-N 3.37Å |
| 72 | G | 53.3 | Low | 64.3 | Low | 70 Ų | 70 | 114.8 Ų | 114.8 | 72% | 0.722 | 67% | 0.669 | S | S | * | * | trans | -60.1 | 101.6 | -170 | 0 | 0 | 0 | 0 | 0 | 113.8 | G74 | G72-G74 PolarHBondContact O-N 3.19Š| ||
| 73 | Y | 57.2 | Low | 62.5 | Low | 239 Ų | 239 | 116.5 Ų | 116.5 | 94% | 0.937 | 68% | 0.684 | S | S | * | * | trans | -80.2 | 32.3 | 157.6 | -114.3 | -87.3 | 0 | 0 | 0 | 112 | Y71 | Y71-Y73 PolarHBondContact O-N 3.37Š| ||
| 74 | G | 57.7 | Low | 61.2 | Low | 57 Ų | 57 | 122.9 Ų | 122.9 | 59% | 0.588 | 70% | 0.7 | S | S | * | * | trans | -129.4 | 84 | 174.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | G72 G76 | G72-G74 PolarHBondContact O-N 3.19Å; G74-G76 PolarHBondContact O-N 2.91Å | ||
| 75 | Q | 51.8 | Low | 59.7 | Low | 213 Ų | 213 | 117.5 Ų | 117.5 | 100% | 0.995 | 69% | 0.688 | S | S | * | * | trans | -71.3 | 76.2 | 173.7 | -166.1 | -168.8 | -21.8 | 0 | 0 | 108.5 | ||||
| 76 | G | 48.6 | Very low | 58.5 | Low | 53 Ų | 53 | 119.6 Ų | 119.6 | 55% | 0.546 | 70% | 0.7 | S | S | . | * | trans | 160.7 | 124.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | G74 G78 | G74-G76 PolarHBondContact O-N 2.91Å; G76-G78 PolarHBondContact O-N 2.72Å | ||
| 77 | A | 55.3 | Low | 57.3 | Low | 100 Ų | 100 | 120.3 Ų | 120.3 | 83% | 0.826 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | 12.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 78 | G | 55.8 | Low | 56.4 | Low | 74 Ų | 74 | 125.8 Ų | 125.8 | 76% | 0.763 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | -4.3 | -167.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | G76 | G76-G78 PolarHBondContact O-N 2.72Š|
| 79 | T | 49.1 | Very low | 55.2 | Low | 130 Ų | 130 | 124.2 Ų | 124.2 | 80% | 0.798 | 75% | 0.745 | S | S | * | * | trans | -128.9 | 37 | -178.3 | 82 | 0 | 0 | 0 | 0 | 113.1 | S81 | T79-S81 PolarHBondContact O-N 3.4Š| ||
| 80 | L | 51.7 | Low | 54.7 | Low | 150 Ų | 150 | 119.9 Ų | 119.9 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | trans | -70.8 | 70.8 | 162 | -80.5 | 165.9 | 0 | 0 | 0 | 108.9 | T82 | L80-T82 VanDerWaalsContact C-N 3.3Å; L80-T82 PolarHBondContact O-N 2.97Å; L80-T82 VanDerWaalsContact O-N 3.1Å | ||
| 81 | S | 57.4 | Low | 53.5 | Low | 92 Ų | 92 | 125.7 Ų | 125.7 | 64% | 0.643 | 73% | 0.733 | S | S | * | * | trans | -69.9 | 99.4 | 153.8 | -172 | 0 | 0 | 0 | 0 | 105.9 | T79 D83 | T79-S81 PolarHBondContact O-N 3.4Å; S81-D83 PolarHBondContact O-N 2.95Å; S81-D83 PolarHBondContact OG-OD1 2.82Å | ||
| 82 | T | 62.8 | Low | 53.4 | Low | 114 Ų | 114 | 125 Ų | 125 | 70% | 0.699 | 74% | 0.736 | S | S | * | * | trans | -83.8 | 66.5 | 159.4 | -61.9 | 0 | 0 | 0 | 0 | 106.9 | L80 K84 | L80-T82 VanDerWaalsContact C-N 3.3Å; L80-T82 PolarHBondContact O-N 2.97Å; L80-T82 VanDerWaalsContact O-N 3.1Å; T82-K84 HydrophobicContact CG2-CB 4.24Å; T82-K84 PolarHBondContact O-N 2.98Å; T82-K84 VanDerWaalsContact O-N 3.13Å | ||
| 83 | D | 51.7 | Low | 53.1 | Low | 123 Ų | 123 | 131 Ų | 131 | 66% | 0.658 | 75% | 0.745 | S | S | * | * | trans | -80.9 | 81.2 | 151 | 69.7 | -73.3 | 0 | 0 | 0 | 106.1 | S81 G85 | S81-D83 PolarHBondContact O-N 2.95Å; S81-D83 PolarHBondContact OG-OD1 2.82Å; D83-G85 VanDerWaalsContact C-N 3.28Å; D83-G85 PolarHBondContact O-N 3.17Å | ||
| 84 | K | 56.1 | Low | 52.4 | Low | 174 Ų | 174 | 128.5 Ų | 128.5 | 76% | 0.757 | 74% | 0.742 | S | S | * | * | trans | -55.7 | 104.6 | 154.8 | -176 | 152.8 | 174.8 | 169.6 | 0 | 104.2 | T82 E86 | T82-K84 HydrophobicContact CG2-CB 4.24Å; T82-K84 PolarHBondContact O-N 2.98Å; T82-K84 VanDerWaalsContact O-N 3.13Å; K84-E86 PolarHBondContact O-N 2.76Å | ||
| 85 | G | 53.8 | Low | 51.5 | Low | 39 Ų | 39 | 130 Ų | 130 | 40% | 0.402 | 75% | 0.75 | S | S | . | * | trans | -63 | 66.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | D83 S87 L88 | D83-G85 VanDerWaalsContact C-N 3.28Å; D83-G85 PolarHBondContact O-N 3.17Å; G85-S87 PolarHBondContact O-N 2.93Å; G85-L88 PolarHBondContact O-N 3.29Å | ||
| 86 | E | 55.9 | Low | 51.3 | Low | 184 Ų | 184 | 125.3 Ų | 125.3 | 86% | 0.86 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -62.3 | -19.8 | 173.5 | -156.8 | 155.4 | 92.3 | 0 | 0 | 111.2 | K84 L88 | K84-E86 PolarHBondContact O-N 2.76Å; E86-L88 VanDerWaalsContact C-N 3.33Å; E86-L88 PolarHBondContact O-N 2.91Å |
| 87 | S | 58.3 | Low | 50.8 | Low | 108 Ų | 108 | 126.1 Ų | 126.1 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -75.8 | -9.5 | 178.8 | 49.8 | 0 | 0 | 0 | 0 | 115.4 | G85 | G85-S87 PolarHBondContact O-N 2.93Š|
| 88 | L | 57.7 | Low | 50.5 | Low | 135 Ų | 135 | 130.5 Ų | 130.5 | 71% | 0.707 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -117.3 | 12.7 | -176.8 | -66.1 | 177.9 | 0 | 0 | 0 | 115.2 | G85 E86 I90 | G85-L88 PolarHBondContact O-N 3.29Å; E86-L88 VanDerWaalsContact C-N 3.33Å; E86-L88 PolarHBondContact O-N 2.91Å; L88-I90 HydrophobicContact CB-CD1 3.52Å; L88-I90 WeakPolarHBondContact O-CD1 3.39Å; L88-I90 PolarHBondContact O-N 3.16Å |
| 89 | G | 45.9 | Very low | 49.9 | Very low | 67 Ų | 67 | 136.9 Ų | 136.9 | 69% | 0.691 | 75% | 0.75 | S | S | * | * | trans | 58.3 | 22.3 | 163.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | K91 | G89-K91 VanDerWaalsContact C-N 3.29Å; G89-K91 PolarHBondContact O-N 3.39Å | ||
| 90 | I | 49.6 | Very low | 50 | Low | 123 Ų | 123 | 135.4 Ų | 135.4 | 63% | 0.631 | 74% | 0.742 | S | S | * | * | trans | -73.2 | 89.3 | 175.3 | -56.9 | 102.1 | 0 | 0 | 0 | 107.9 | L88 H92 | L88-I90 HydrophobicContact CB-CD1 3.52Å; L88-I90 WeakPolarHBondContact O-CD1 3.39Å; L88-I90 PolarHBondContact O-N 3.16Å; I90-H92 PolarHBondContact O-N 3.5Å | ||
| 91 | K | 37.8 | Very low | 49.9 | Very low | 200 Ų | 200 | 134.4 Ų | 134.4 | 87% | 0.87 | 74% | 0.743 | S | S | * | * | trans | -55.7 | 106.7 | 163.7 | -83.7 | 179 | 158.9 | 178.6 | 0 | 107.8 | G89 E93 | G89-K91 VanDerWaalsContact C-N 3.29Å; G89-K91 PolarHBondContact O-N 3.39Å; K91-E93 PolarHBondContact O-N 2.87Å; K91-E93 VanDerWaalsContact O-N 3.08Å | ||
| 92 | H | 54.5 | Low | 49.4 | Very low | 179 Ų | 179 | 134.4 Ų | 134.4 | 83% | 0.829 | 74% | 0.739 | S | S | * | * | trans | -64.3 | 105.7 | 163.3 | -90.6 | -105.6 | 0 | 0 | 0 | 107.2 | I90 E94 | I90-H92 PolarHBondContact O-N 3.5Å; H92-E94 PolarHBondContact O-N 3.08Å | ||
| 93 | E | 45.4 | Very low | 48.7 | Very low | 196 Ų | 196 | 134.6 Ų | 134.6 | 92% | 0.916 | 74% | 0.736 | S | S | * | * | trans | -69.6 | 114.5 | 164.9 | -161.1 | 150.4 | 85.1 | 0 | 0 | 107.5 | K91 A95 | K91-E93 PolarHBondContact O-N 2.87Å; K91-E93 VanDerWaalsContact O-N 3.08Å; E93-A95 PolarHBondContact O-N 3.1Å; E93-A95 VanDerWaalsContact O-N 3.16Å | ||
| 94 | E | 43.4 | Very low | 48.7 | Very low | 187 Ų | 187 | 133.7 Ų | 133.7 | 87% | 0.874 | 74% | 0.737 | S | S | * | * | trans | -77.9 | 89.9 | -168 | -168.9 | 172 | 94.3 | 0 | 0 | 109.7 | H92 | H92-E94 PolarHBondContact O-N 3.08Š| ||
| 95 | A | 39.1 | Very low | 48 | Very low | 90 Ų | 90 | 131.2 Ų | 131.2 | 74% | 0.744 | 73% | 0.732 | S | S | * | * | trans | -94 | 140.6 | 158.8 | 0 | 0 | 0 | 0 | 0 | 109 | E93 | E93-A95 PolarHBondContact O-N 3.1Å; E93-A95 VanDerWaalsContact O-N 3.16Å | ||
| 96 | P | 46.4 | Very low | 47.7 | Very low | 114 Ų | 114 | 133 Ų | 133 | 74% | 0.74 | 74% | 0.743 | S | S | * | * | -71.3 | 146.8 | -121.3 | 29.8 | -34.6 | 0 | 0 | 0 | 111.2 | H98 | P96-H98 PolarHBondContact O-N 3.29Š| |||
| 97 | G | 40 | Very low | 47.3 | Very low | 70 Ų | 70 | 129.7 Ų | 129.7 | 72% | 0.722 | 74% | 0.74 | S | S | * | * | trans | -37.2 | 112.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | R99 | G97-R99 PolarHBondContact O-N 3.13Š| ||
| 98 | H | 48.6 | Very low | 47.1 | Very low | 192 Ų | 192 | 132.6 Ų | 132.6 | 89% | 0.889 | 74% | 0.739 | S | S | * | * | trans | -60.6 | 90.4 | 148.1 | -102.1 | -84.9 | 0 | 0 | 0 | 104.8 | P96 P100 | P96-H98 PolarHBondContact O-N 3.29Å; H98-P100 VanDerWaalsContact O-N 3.15Å | ||
| 99 | R | 43.4 | Very low | 46.5 | Very low | 208 Ų | 208 | 135.4 Ų | 135.4 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | trans | -33.2 | 123.4 | 158.8 | -168.1 | -177.3 | -172.1 | -147.2 | 3.2 | 104.6 | G97 T101 | G97-R99 PolarHBondContact O-N 3.13Å; R99-T101 PolarHBondContact O-N 3.08Å | ||
| 100 | P | 49.7 | Very low | 46.6 | Very low | 98 Ų | 98 | 136.4 Ų | 136.4 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | trans | -48.2 | 125.2 | 164.6 | 21.6 | -30.1 | 0 | 0 | 0 | 103.7 | H98 T102 | H98-P100 VanDerWaalsContact O-N 3.15Å; P100-T102 PolarHBondContact O-N 3.26Å | ||
| 101 | T | 51.2 | Low | 46.8 | Very low | 129 Ų | 129 | 136.8 Ų | 136.8 | 79% | 0.791 | 75% | 0.747 | S | S | * | * | trans | -65.8 | 73 | 156.9 | -172 | 0 | 0 | 0 | 0 | 104.2 | R99 N103 | R99-T101 PolarHBondContact O-N 3.08Å; T101-N103 PolarHBondContact O-N 3.05Å | ||
| 102 | T | 47.1 | Very low | 47.8 | Very low | 92 Ų | 92 | 135.8 Ų | 135.8 | 56% | 0.564 | 74% | 0.743 | S | S | * | * | trans | -58.1 | 85.6 | 145.8 | -179.6 | 0 | 0 | 0 | 0 | 101 | P100 P104 | P100-T102 PolarHBondContact O-N 3.26Å; T102-P104 WeakPolarHBondContact O-CD 3.15Å | ||
| 103 | N | 48 | Very low | 48 | Very low | 119 Ų | 119 | 135.2 Ų | 135.2 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | trans | -59.6 | 97.4 | 162.4 | -165.8 | 19.5 | 0 | 0 | 0 | 101.9 | T101 N105 | T101-N103 PolarHBondContact O-N 3.05Å; N103-N105 PolarHBondContact O-N 3.2Å; N103-N105 VanDerWaalsContact O-N 3.17Å | ||
| 104 | P | 50.3 | Low | 48 | Very low | 104 Ų | 104 | 128.8 Ų | 128.8 | 68% | 0.675 | 73% | 0.73 | S | S | * | * | trans | -66.9 | 126 | 171.6 | 30 | -21.7 | 0 | 0 | 0 | 103.2 | T102 | T102-P104 WeakPolarHBondContact O-CD 3.15Š| ||
| 105 | N | 42.6 | Very low | 48.6 | Very low | 121 Ų | 121 | 123.7 Ų | 123.7 | 65% | 0.647 | 73% | 0.728 | S | S | * | * | trans | 93.4 | 91.1 | 178.3 | -147.8 | -10.2 | 0 | 0 | 0 | 113 | N103 | N103-N105 PolarHBondContact O-N 3.2Å; N103-N105 VanDerWaalsContact O-N 3.17Å | ||
| 106 | A | 46.7 | Very low | 49.7 | Very low | 78 Ų | 78 | 122.5 Ų | 122.5 | 65% | 0.645 | 71% | 0.714 | S | S | * | * | S | Bend | -148.3 | 31.8 | 95.7 | 0 | 0 | 0 | 0 | 0 | 115 | K108 | A106-K108 PolarHBondContact O-N 3.04Å; A106-K108 VanDerWaalsContact O-N 3.15Å | |
| 107 | S | 48.2 | Very low | 50.9 | Low | 114 Ų | 114 | 120.9 Ų | 120.9 | 80% | 0.797 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 11.8 | 165.4 | -62.6 | 0 | 0 | 0 | 0 | 114 | ||
| 108 | K | 52.5 | Low | 52.9 | Low | 168 Ų | 168 | 124.9 Ų | 124.9 | 73% | 0.73 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141 | 4.1 | -174.4 | -134.3 | 173.1 | 169.1 | 175.1 | 0 | 118.5 | A106 | A106-K108 PolarHBondContact O-N 3.04Å; A106-K108 VanDerWaalsContact O-N 3.15Å |
| 109 | F | 46.4 | Very low | 54.6 | Low | 194 Ų | 194 | 115.8 Ų | 115.8 | 85% | 0.851 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.3 | 0.1 | 174 | -130.1 | -93.9 | 0 | 0 | 0 | 117.3 | ||
| 110 | A | 48.5 | Very low | 56.4 | Low | 89 Ų | 89 | 109.1 Ų | 109.1 | 74% | 0.736 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -105.1 | 11.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | K112 | A110-K112 PolarHBondContact O-N 2.79Š|
| 111 | Q | 53.4 | Low | 57.8 | Low | 130 Ų | 130 | 111.5 Ų | 111.5 | 61% | 0.607 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -76.5 | 56.8 | 161.9 | -66.1 | 178.2 | -46.1 | 0 | 0 | 110.1 | ||
| 112 | K | 58.9 | Low | 59.4 | Low | 180 Ų | 180 | 107.4 Ų | 107.4 | 78% | 0.783 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -171.4 | 125.7 | 162.5 | -115.8 | 172.4 | 177.4 | -171.6 | 0 | 109.1 | A110 | A110-K112 PolarHBondContact O-N 2.79Š|
| 113 | I | 57.6 | Low | 60.8 | Low | 167 Ų | 167 | 107.3 Ų | 107.3 | 86% | 0.856 | 61% | 0.607 | S | S | * | * | S | Bend | trans | 85.8 | 47.8 | 164.8 | -31.8 | -54.7 | 0 | 0 | 0 | 117.7 | ||
| 114 | G | 46 | Very low | 62.3 | Low | 60 Ų | 60 | 107.4 Ų | 107.4 | 62% | 0.619 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -172.3 | 114.3 | 159.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S116 | G114-S116 PolarHBondContact O-N 3.16Å; G114-S116 PolarHBondContact O-OG 3.27Å |
| 115 | G | 55.3 | Low | 63.8 | Low | 81 Ų | 81 | 104 Ų | 104 | 84% | 0.835 | 58% | 0.584 | S | S | * | * | trans | -60.2 | 72 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | E117 | G115-E117 PolarHBondContact O-N 2.95Š| ||
| 116 | S | 62.9 | Low | 65.5 | Low | 65 Ų | 65 | 98.7 Ų | 98.7 | 46% | 0.455 | 56% | 0.557 | S | S | . | * | trans | -80.1 | 74.2 | 168.1 | 46.9 | 0 | 0 | 0 | 0 | 108.6 | G114 R118 | G114-S116 PolarHBondContact O-N 3.16Å; G114-S116 PolarHBondContact O-OG 3.27Å; S116-R118 WeakPolarHBondContact O-CG 3.39Å; S116-R118 PolarHBondContact O-N 3.16Å; S116-R118 VanDerWaalsContact O-N 3.12Å | ||
| 117 | E | 72.6 | Confident | 67.2 | Low | 79 Ų | 79 | 103.5 Ų | 103.5 | 37% | 0.369 | 56% | 0.559 | S | S | . | * | trans | -18 | 109.6 | 150.7 | -69.4 | -72 | 88.4 | 0 | 0 | 111.4 | G115 V126 K131 S138 | G115-E117 PolarHBondContact O-N 2.95Å; E117-V126 WeakPolarHBondContact O-CB 3.49Å; E117-V126 PolarHBondContact O-N 2.87Å; E117-K131 VanDerWaalsContact OE2-CE 3.26Å; E117-K131 WeakPolarHBondContact OE2-CE 3.46Å; E117-K131 IonicContact OE2-NZ 2.83Å; E117-K131 PolarHBondContact OE2-NZ 3.47Å; E117-S138 WeakPolarHBondContact CA-OG 3.26Å; E117-S138 VanDerWaalsContact CB-OG 3.22Å; E117-S138 WeakPolarHBondContact CB-OG 3.5Å | ||
| 118 | R | 81.2 | Confident | 68.5 | Low | 155 Ų | 155 | 102.7 Ų | 102.7 | 59% | 0.585 | 56% | 0.56 | S | S | * | * | B | Isolated β-bridge | trans | -105.9 | 140.3 | -175.5 | -59.3 | -169.9 | -177.2 | 139.8 | 1.5 | 110.9 | S116 S138 | S116-R118 WeakPolarHBondContact O-CG 3.39Å; S116-R118 PolarHBondContact O-N 3.16Å; S116-R118 VanDerWaalsContact O-N 3.12Å; R118-S138 PolarHBondContact N-OG 2.93Å; R118-S138 VanDerWaalsContact O-O 3.14Å; R118-S138 PolarHBondContact O-OG 3.4Å |
| 119 | C | 84.4 | Confident | 69.8 | Low | 0 Ų | 0 | 99.6 Ų | 99.6 | 0% | 0 | 57% | 0.565 | C | S | . | * | trans | -79.6 | 125.6 | 173.8 | -177.2 | 0 | 0 | 0 | 0 | 110.1 | R121 C122 S123 Q124 V126 S138 H140 C143 | C119-R121 PolarHBondContact O-N 2.93Å; C119-R121 PolarHBondContact SG-N 2.68Å; C119-C122 VanDerWaalsContact CB-SG 3.58Å; C119-S123 WeakPolarHBondContact O-CA 3.49Å; C119-S123 PolarHBondContact O-N 2.97Å; C119-Q124 PolarHBondContact N-O 3.24Å; C119-V126 HydrophobicContact CB-CG2 3.65Å; C119-S138 WeakPolarHBondContact CA-O 3.11Å; C119-H140 VanDerWaalsContact CB-CE1 3.48Å; C119-H140 WeakPolarHBondContact CB-CE1 3.49Å; C119-H140 VanDerWaalsContact CB-ND1 3.25Å; C119-H140 WeakPolarHBondContact CB-ND1 3.47Å; C119-C143 WeakPolarHBondContact SG-CB 3.13Å | ||
| 120 | P | 80.3 | Confident | 71.2 | Confident | 69 Ų | 69 | 94.4 Ų | 94.4 | 45% | 0.448 | 54% | 0.544 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -14.8 | 177.9 | 29.3 | -36.4 | 0 | 0 | 0 | 113.4 | K137 W139 | P120-K137 HydrophobicContact CG-CD 4.4Å; P120-W139 HydrophobicContact CB-CH2 4.45Å; P120-W139 HydrophobicContact CG-CD2 4.05Å; P120-W139 HydrophobicContact CG-CE3 3.91Å; P120-W139 HydrophobicContact CG-CH2 3.3Å; P120-W139 HydrophobicContact CG-CZ2 3.43Å; P120-W139 VanDerWaalsContact CG-CZ2 3.43Å; P120-W139 HydrophobicContact CG-CZ3 3.56Å |
| 121 | R | 80 | Confident | 72.7 | Confident | 147 Ų | 147 | 94 Ų | 94 | 56% | 0.555 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -43.4 | 179.8 | -173.6 | 117.6 | -84.5 | -145.9 | -4.1 | 113 | C119 W139 C143 | C119-R121 PolarHBondContact O-N 2.93Å; C119-R121 PolarHBondContact SG-N 2.68Å; R121-W139 HydrophobicContact CB-CE3 4.37Å; R121-W139 HydrophobicContact CB-CZ3 4.11Å; R121-C143 HydrophobicContact CB-CB 3.99Å; R121-C143 HydrophobicContact CG-CB 4.28Å |
| 122 | C | 84 | Confident | 74.1 | Confident | 43 Ų | 43 | 89.2 Ų | 89.2 | 29% | 0.291 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | -0.7 | -177.6 | 65.7 | 0 | 0 | 0 | 0 | 113.4 | C119 Q124 H140 | C119-C122 VanDerWaalsContact CB-SG 3.58Å; C122-Q124 HydrophobicContact CB-CG 4.4Å; C122-Q124 WeakPolarHBondContact O-CG 3.47Å; C122-Q124 PolarHBondContact O-N 3.35Å; C122-H140 PolarHBondContact SG-CE1 2.59Å; C122-H140 PolarHBondContact SG-ND1 3.23Å |
| 123 | S | 77.6 | Confident | 75.2 | Confident | 91 Ų | 91 | 85.6 Ų | 85.6 | 64% | 0.636 | 49% | 0.493 | S | S | * | . | trans | 53.7 | 10.6 | -175 | 61.3 | 0 | 0 | 0 | 0 | 115.6 | C119 | C119-S123 WeakPolarHBondContact O-CA 3.49Å; C119-S123 PolarHBondContact O-N 2.97Å | ||
| 124 | Q | 79.4 | Confident | 76.1 | Confident | 120 Ų | 120 | 77.9 Ų | 77.9 | 56% | 0.561 | 46% | 0.455 | S | S | * | . | trans | -87.2 | 155.7 | 177.4 | -60.8 | -53.9 | -61.9 | 0 | 0 | 112 | C119 C122 | C119-Q124 PolarHBondContact N-O 3.24Å; C122-Q124 HydrophobicContact CB-CG 4.4Å; C122-Q124 WeakPolarHBondContact O-CG 3.47Å; C122-Q124 PolarHBondContact O-N 3.35Å | ||
| 125 | A | 81.7 | Confident | 77.3 | Confident | 32 Ų | 32 | 76.7 Ų | 76.7 | 26% | 0.264 | 44% | 0.439 | S | S | . | . | B | Isolated β-bridge | trans | -63 | 136 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | H140 | A125-H140 PolarHBondContact O-NE2 3.05Å |
| 126 | V | 78.5 | Confident | 78.3 | Confident | 11 Ų | 11 | 76.6 Ų | 76.6 | 7% | 0.067 | 44% | 0.438 | C | S | . | . | trans | -95.7 | 105.2 | 177.8 | -173.8 | 0 | 0 | 0 | 0 | 108 | E117 C119 K131 W139 | E117-V126 WeakPolarHBondContact O-CB 3.49Å; E117-V126 PolarHBondContact O-N 2.87Å; C119-V126 HydrophobicContact CB-CG2 3.65Å; V126-K131 HydrophobicContact CG1-CB 3.64Å; V126-K131 HydrophobicContact CG1-CG 3.92Å; V126-W139 WeakPolarHBondContact CG1-O 3.48Å | ||
| 127 | Y | 82.1 | Confident | 79.2 | Confident | 178 Ų | 178 | 78.7 Ų | 78.7 | 70% | 0.698 | 44% | 0.439 | S | S | * | . | trans | -72.6 | 153.3 | 175 | -68.4 | -82 | 0 | 0 | 0 | 111 | A129 E130 K131 | Y127-A129 PolarHBondContact O-N 3.26Å; Y127-E130 PolarHBondContact O-N 3.03Å; Y127-K131 PolarHBondContact O-N 2.9Å; Y127-K131 VanDerWaalsContact O-N 3.09Å | ||
| 128 | A | 76.4 | Confident | 79.8 | Confident | 98 Ų | 98 | 75.1 Ų | 75.1 | 81% | 0.81 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | -29.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | E130 | A128-E130 PolarHBondContact O-N 2.77Š|
| 129 | A | 78 | Confident | 80.1 | Confident | 102 Ų | 102 | 68 Ų | 68 | 84% | 0.843 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -29.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y127 | Y127-A129 PolarHBondContact O-N 3.26Š|
| 130 | E | 76.7 | Confident | 80.1 | Confident | 86 Ų | 86 | 69 Ų | 69 | 40% | 0.402 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119 | 7.6 | -179.1 | -66.8 | -139.9 | 109 | 0 | 0 | 113.1 | Y127 A128 V132 W139 H140 K141 | Y127-E130 PolarHBondContact O-N 3.03Å; A128-E130 PolarHBondContact O-N 2.77Å; E130-V132 PolarHBondContact O-N 2.83Å; E130-W139 VanDerWaalsContact O-O 3.13Å; E130-H140 CarbonylContact O-C 3.54Å; E130-H140 WeakPolarHBondContact O-CA 3.23Å; E130-K141 PolarHBondContact O-N 3.36Å |
| 131 | K | 79.9 | Confident | 80.2 | Confident | 79 Ų | 79 | 72 Ų | 72 | 34% | 0.343 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 112.5 | -177.1 | -174.4 | -178.1 | 176.1 | 177.7 | 0 | 110.9 | E117 V126 Y127 | E117-K131 VanDerWaalsContact OE2-CE 3.26Å; E117-K131 WeakPolarHBondContact OE2-CE 3.46Å; E117-K131 IonicContact OE2-NZ 2.83Å; E117-K131 PolarHBondContact OE2-NZ 3.47Å; V126-K131 HydrophobicContact CG1-CB 3.64Å; V126-K131 HydrophobicContact CG1-CG 3.92Å; Y127-K131 PolarHBondContact O-N 2.9Å; Y127-K131 VanDerWaalsContact O-N 3.09Å |
| 132 | V | 83.8 | Confident | 80.4 | Confident | 31 Ų | 31 | 67.7 Ų | 67.7 | 19% | 0.188 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 137.8 | 161 | -58 | 0 | 0 | 0 | 0 | 109.3 | E130 W139 F144 | E130-V132 PolarHBondContact O-N 2.83Å; V132-W139 HydrophobicContact CG2-CB 3.86Å; V132-W139 WeakPolarHBondContact CG2-O 3.4Å; V132-W139 PolarHBondContact N-O 3.3Å; V132-W139 PolarHBondContact O-N 2.93Å; V132-F144 HydrophobicContact CG2-CB 3.59Å; V132-F144 HydrophobicContact CG2-CD1 3.88Å; V132-F144 HydrophobicContact CG2-CD2 3.55Å; V132-F144 HydrophobicContact CG2-CE1 4.39Å; V132-F144 HydrophobicContact CG2-CE2 4.06Å; V132-F144 HydrophobicContact CG2-CG 3.42Å; V132-F144 VanDerWaalsContact CG2-CG 3.42Å; V132-F144 HydrophobicContact CG2-CZ 4.43Å |
| 133 | I | 81.2 | Confident | 80.5 | Confident | 103 Ų | 103 | 66.5 Ų | 66.5 | 53% | 0.528 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 126.5 | 178.2 | -58.8 | 166.6 | 0 | 0 | 0 | 107.3 | ||
| 134 | G | 76.1 | Confident | 80.9 | Confident | 6 Ų | 6 | 62.3 Ų | 62.3 | 6% | 0.062 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 142.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | G136 K137 W139 | G134-G136 PolarHBondContact O-N 2.61Å; G134-K137 PolarHBondContact N-O 2.8Å; G134-K137 PolarHBondContact O-N 3.2Å; G134-W139 PolarHBondContact O-NE1 3.35Å |
| 135 | A | 70.8 | Confident | 81.3 | Confident | 35 Ų | 35 | 62.8 Ų | 62.8 | 29% | 0.289 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 28.3 | -176 | 0 | 0 | 0 | 0 | 0 | 114.3 | K137 D160 | A135-K137 PolarHBondContact O-N 3.44Å; A135-K137 VanDerWaalsContact O-N 3.16Å; A135-D160 HydrophobicContact CB-CB 3.21Å |
| 136 | G | 77.3 | Confident | 81.6 | Confident | 78 Ų | 78 | 61.3 Ų | 61.3 | 80% | 0.804 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.8 | 9.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115 | G134 | G134-G136 PolarHBondContact O-N 2.61Š|
| 137 | K | 82 | Confident | 81.9 | Confident | 109 Ų | 109 | 62.6 Ų | 62.6 | 47% | 0.474 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 156.4 | 176.2 | -65.3 | 176 | -172.6 | -74.4 | 0 | 110.7 | P120 G134 A135 W139 | P120-K137 HydrophobicContact CG-CD 4.4Å; G134-K137 PolarHBondContact N-O 2.8Å; G134-K137 PolarHBondContact O-N 3.2Å; A135-K137 PolarHBondContact O-N 3.44Å; A135-K137 VanDerWaalsContact O-N 3.16Å; K137-W139 PolarHBondContact O-NE1 3.38Å |
| 138 | S | 84.4 | Confident | 82.1 | Confident | 4 Ų | 4 | 60.3 Ų | 60.3 | 3% | 0.028 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 136 | 174 | 51.7 | 0 | 0 | 0 | 0 | 112 | E117 R118 C119 | E117-S138 WeakPolarHBondContact CA-OG 3.26Å; E117-S138 VanDerWaalsContact CB-OG 3.22Å; E117-S138 WeakPolarHBondContact CB-OG 3.5Å; R118-S138 PolarHBondContact N-OG 2.93Å; R118-S138 VanDerWaalsContact O-O 3.14Å; R118-S138 PolarHBondContact O-OG 3.4Å; C119-S138 WeakPolarHBondContact CA-O 3.11Å |
| 139 | W | 86.8 | Confident | 82.6 | Confident | 7 Ų | 7 | 58.9 Ų | 58.9 | 3% | 0.027 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 155 | 178.6 | -54.8 | 76.6 | 0 | 0 | 0 | 110.1 | P120 R121 V126 E130 V132 G134 K137 F144 I165 | P120-W139 HydrophobicContact CB-CH2 4.45Å; P120-W139 HydrophobicContact CG-CD2 4.05Å; P120-W139 HydrophobicContact CG-CE3 3.91Å; P120-W139 HydrophobicContact CG-CH2 3.3Å; P120-W139 HydrophobicContact CG-CZ2 3.43Å; P120-W139 VanDerWaalsContact CG-CZ2 3.43Å; P120-W139 HydrophobicContact CG-CZ3 3.56Å; R121-W139 HydrophobicContact CB-CE3 4.37Å; R121-W139 HydrophobicContact CB-CZ3 4.11Å; V126-W139 WeakPolarHBondContact CG1-O 3.48Å; E130-W139 VanDerWaalsContact O-O 3.13Å; V132-W139 HydrophobicContact CG2-CB 3.86Å; V132-W139 WeakPolarHBondContact CG2-O 3.4Å; V132-W139 PolarHBondContact N-O 3.3Å; V132-W139 PolarHBondContact O-N 2.93Å; G134-W139 PolarHBondContact O-NE1 3.35Å; K137-W139 PolarHBondContact O-NE1 3.38Å; W139-F144 HydrophobicContact CB-CB 4.32Å; W139-F144 HydrophobicContact CB-CD2 3.56Å; W139-F144 HydrophobicContact CB-CE2 4.3Å; W139-F144 HydrophobicContact CB-CG 4.38Å; W139-F144 AromaticContact CD1-CD2 3.81Å; W139-F144 AromaticContact CD1-CE2 3.72Å; W139-F144 HydrophobicContact CD2-CD2 4.08Å; W139-F144 AromaticContact CG-CD2 3.55Å; W139-F144 HydrophobicContact CG-CD2 3.55Å; W139-F144 AromaticContact CG-CE2 3.96Å; W139-F144 HydrophobicContact CG-CE2 3.96Å; W139-I165 HydrophobicContact CD2-CD1 4.4Å; W139-I165 HydrophobicContact CE3-CD1 4.22Å; W139-I165 HydrophobicContact CH2-CD1 4.47Å; W139-I165 HydrophobicContact CH2-CG1 4.26Å; W139-I165 HydrophobicContact CH2-CG2 4.13Å; W139-I165 HydrophobicContact CZ2-CG2 3.71Å; W139-I165 HydrophobicContact CZ3-CD1 4.24Å; W139-I165 HydrophobicContact CZ3-CG1 4.37Å |
| 140 | H | 86.3 | Confident | 82.9 | Confident | 19 Ų | 19 | 56.2 Ų | 56.2 | 9% | 0.088 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 146.2 | 165.4 | -55 | 95.6 | 0 | 0 | 0 | 110.1 | C119 C122 A125 E130 S142 C143 F144 | C119-H140 VanDerWaalsContact CB-CE1 3.48Å; C119-H140 WeakPolarHBondContact CB-CE1 3.49Å; C119-H140 VanDerWaalsContact CB-ND1 3.25Å; C119-H140 WeakPolarHBondContact CB-ND1 3.47Å; C122-H140 PolarHBondContact SG-CE1 2.59Å; C122-H140 PolarHBondContact SG-ND1 3.23Å; A125-H140 PolarHBondContact O-NE2 3.05Å; E130-H140 CarbonylContact O-C 3.54Å; E130-H140 WeakPolarHBondContact O-CA 3.23Å; H140-S142 PolarHBondContact O-N 3.03Å; H140-S142 VanDerWaalsContact O-N 3.1Å; H140-C143 HydrophobicContact CB-CB 3.98Å; H140-C143 CarbonylContact O-C 3.55Å; H140-C143 WeakPolarHBondContact O-CA 3.35Å; H140-C143 PolarHBondContact O-N 2.81Å; H140-F144 WeakPolarHBondContact O-CB 3.29Å; H140-F144 PolarHBondContact O-N 2.96Å |
| 141 | K | 82.3 | Confident | 83.2 | Confident | 134 Ų | 134 | 59 Ų | 59 | 58% | 0.583 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.8 | -37.1 | 170.1 | -163.5 | -178.1 | -149.8 | -67 | 0 | 112.4 | E130 | E130-K141 PolarHBondContact O-N 3.36Š|
| 142 | S | 82.9 | Confident | 83.3 | Confident | 56 Ų | 56 | 57.5 Ų | 57.5 | 39% | 0.392 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -33 | 176.1 | 56.6 | 0 | 0 | 0 | 0 | 114.1 | H140 R145 | H140-S142 PolarHBondContact O-N 3.03Å; H140-S142 VanDerWaalsContact O-N 3.1Å; S142-R145 WeakPolarHBondContact O-CD 3.4Å; S142-R145 PolarHBondContact O-NE 3.15Å |
| 143 | C | 86.1 | Confident | 83 | Confident | 18 Ų | 18 | 56.9 Ų | 56.9 | 12% | 0.122 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -15.8 | 179.9 | -69.4 | 0 | 0 | 0 | 0 | 113.5 | C119 R121 H140 R145 | C119-C143 WeakPolarHBondContact SG-CB 3.13Å; R121-C143 HydrophobicContact CB-CB 3.99Å; R121-C143 HydrophobicContact CG-CB 4.28Å; H140-C143 HydrophobicContact CB-CB 3.98Å; H140-C143 CarbonylContact O-C 3.55Å; H140-C143 WeakPolarHBondContact O-CA 3.35Å; H140-C143 PolarHBondContact O-N 2.81Å; C143-R145 PolarHBondContact O-N 2.95Å |
| 144 | F | 86.8 | Confident | 82.7 | Confident | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.009 | 33% | 0.334 | C | S | . | . | trans | -77.4 | 67.5 | -178 | -155 | -116.2 | 0 | 0 | 0 | 111.7 | V132 W139 H140 L153 L158 I165 | V132-F144 HydrophobicContact CG2-CB 3.59Å; V132-F144 HydrophobicContact CG2-CD1 3.88Å; V132-F144 HydrophobicContact CG2-CD2 3.55Å; V132-F144 HydrophobicContact CG2-CE1 4.39Å; V132-F144 HydrophobicContact CG2-CE2 4.06Å; V132-F144 HydrophobicContact CG2-CG 3.42Å; V132-F144 VanDerWaalsContact CG2-CG 3.42Å; V132-F144 HydrophobicContact CG2-CZ 4.43Å; W139-F144 HydrophobicContact CB-CB 4.32Å; W139-F144 HydrophobicContact CB-CD2 3.56Å; W139-F144 HydrophobicContact CB-CE2 4.3Å; W139-F144 HydrophobicContact CB-CG 4.38Å; W139-F144 AromaticContact CD1-CD2 3.81Å; W139-F144 AromaticContact CD1-CE2 3.72Å; W139-F144 HydrophobicContact CD2-CD2 4.08Å; W139-F144 AromaticContact CG-CD2 3.55Å; W139-F144 HydrophobicContact CG-CD2 3.55Å; W139-F144 AromaticContact CG-CE2 3.96Å; W139-F144 HydrophobicContact CG-CE2 3.96Å; H140-F144 WeakPolarHBondContact O-CB 3.29Å; H140-F144 PolarHBondContact O-N 2.96Å; F144-L153 HydrophobicContact CD1-CB 4.04Å; F144-L153 VanDerWaalsContact CD1-O 3.28Å; F144-L153 WeakPolarHBondContact CD1-O 3.36Å; F144-L153 HydrophobicContact CE1-CB 4.11Å; F144-L153 PolarHBondContact O-N 2.86Å; F144-L158 HydrophobicContact CE1-CD2 3.85Å; F144-L158 HydrophobicContact CE2-CD1 4.09Å; F144-L158 HydrophobicContact CZ-CB 4.42Å; F144-L158 HydrophobicContact CZ-CD1 3.65Å; F144-L158 HydrophobicContact CZ-CD2 3.44Å; F144-L158 VanDerWaalsContact CZ-CD2 3.44Å; F144-L158 HydrophobicContact CZ-CG 4.01Å; F144-I165 HydrophobicContact CB-CD1 4.48Å; F144-I165 HydrophobicContact CD2-CD1 3.49Å; F144-I165 VanDerWaalsContact CD2-CD1 3.49Å; F144-I165 HydrophobicContact CE2-CD1 3.9Å; F144-I165 HydrophobicContact CG-CD1 3.97Å | ||
| 145 | R | 87.6 | Confident | 82.3 | Confident | 130 Ų | 130 | 61.5 Ų | 61.5 | 49% | 0.491 | 36% | 0.356 | S | S | . | . | B | Isolated β-bridge | trans | -125.5 | 142.7 | -175.6 | -67.7 | 177.2 | -179.9 | 165.7 | 3.2 | 110.7 | S142 C143 A147 G150 K151 I165 | S142-R145 WeakPolarHBondContact O-CD 3.4Å; S142-R145 PolarHBondContact O-NE 3.15Å; C143-R145 PolarHBondContact O-N 2.95Å; R145-A147 PolarHBondContact O-N 2.94Å; R145-G150 WeakPolarHBondContact CD-O 3.31Å; R145-K151 WeakPolarHBondContact CA-O 3.41Å; R145-I165 WeakPolarHBondContact O-CG1 3.01Å |
| 146 | C | 88.7 | Confident | 82.3 | Confident | 2 Ų | 2 | 65.9 Ų | 65.9 | 1% | 0.014 | 38% | 0.379 | C | S | . | . | trans | -56.5 | 129.1 | 175.2 | -179.4 | 0 | 0 | 0 | 0 | 111.1 | K148 C149 G150 K151 L153 I165 C167 | C146-K148 PolarHBondContact O-N 3.11Å; C146-K148 PolarHBondContact SG-N 3.18Å; C146-C149 WeakPolarHBondContact CB-SG 3.46Å; C146-C149 PolarHBondContact SG-SG 3.43Å; C146-G150 VanDerWaalsContact O-CA 3.26Å; C146-G150 WeakPolarHBondContact O-CA 3.37Å; C146-G150 PolarHBondContact O-N 3.46Å; C146-K151 PolarHBondContact N-O 2.84Å; C146-L153 HydrophobicContact CB-CD1 4.03Å; C146-L153 HydrophobicContact CB-CG 4.44Å; C146-I165 WeakPolarHBondContact CA-O 3.46Å; C146-C167 HydrophobicContact CB-CB 4.23Å; C146-C167 PolarHBondContact SG-N 3.18Å; C146-C167 VanDerWaalsContact SG-N 3.4Å | ||
| 147 | A | 84.5 | Confident | 82 | Confident | 37 Ų | 37 | 65.8 Ų | 65.8 | 31% | 0.306 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -26.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | R145 E164 I165 Y166 | R145-A147 PolarHBondContact O-N 2.94Å; A147-E164 HydrophobicContact CB-CB 4.31Å; A147-I165 PolarHBondContact N-O 2.84Å; A147-Y166 HydrophobicContact CB-CE1 4.36Å |
| 148 | K | 85.1 | Confident | 81.8 | Confident | 130 Ų | 130 | 62.4 Ų | 62.4 | 57% | 0.565 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -45.8 | -177.2 | -66.9 | -70.9 | -176.7 | 178.1 | 0 | 114.2 | C146 Y166 C170 | C146-K148 PolarHBondContact O-N 3.11Å; C146-K148 PolarHBondContact SG-N 3.18Å; K148-Y166 HydrophobicContact CD-CE1 4.32Å; K148-Y166 HydrophobicContact CG-CD1 3.75Å; K148-Y166 HydrophobicContact CG-CE1 3.54Å; K148-C170 HydrophobicContact CB-CB 4.29Å |
| 149 | C | 88 | Confident | 81.8 | Confident | 69 Ų | 69 | 63.1 Ų | 63.1 | 47% | 0.466 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | -5.5 | -175.2 | 64.9 | 0 | 0 | 0 | 0 | 114 | C146 K151 | C146-C149 WeakPolarHBondContact CB-SG 3.46Å; C146-C149 PolarHBondContact SG-SG 3.43Å; C149-K151 PolarHBondContact O-N 2.78Å; C149-K151 VanDerWaalsContact SG-CB 3.56Å |
| 150 | G | 83.3 | Confident | 81.6 | Confident | 45 Ų | 45 | 67 Ų | 67 | 46% | 0.464 | 38% | 0.378 | S | S | . | . | trans | 66.4 | -1.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | R145 C146 G152 | R145-G150 WeakPolarHBondContact CD-O 3.31Å; C146-G150 VanDerWaalsContact O-CA 3.26Å; C146-G150 WeakPolarHBondContact O-CA 3.37Å; C146-G150 PolarHBondContact O-N 3.46Å; G150-G152 PolarHBondContact O-N 3.31Å | ||
| 151 | K | 83.6 | Confident | 81.3 | Confident | 144 Ų | 144 | 69.7 Ų | 69.7 | 63% | 0.626 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 130.5 | 178.3 | 178.5 | 173.1 | -93 | -168.3 | 0 | 109.6 | R145 C146 C149 L153 | R145-K151 WeakPolarHBondContact CA-O 3.41Å; C146-K151 PolarHBondContact N-O 2.84Å; C149-K151 PolarHBondContact O-N 2.78Å; C149-K151 VanDerWaalsContact SG-CB 3.56Å; K151-L153 PolarHBondContact O-N 2.85Å |
| 152 | G | 82.4 | Confident | 81.1 | Confident | 48 Ų | 48 | 69.6 Ų | 69.6 | 50% | 0.495 | 40% | 0.395 | S | S | . | . | B | Isolated β-bridge | trans | -58.4 | 126.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110 | G150 | G150-G152 PolarHBondContact O-N 3.31Å |
| 153 | L | 76.8 | Confident | 80.8 | Confident | 19 Ų | 19 | 69.2 Ų | 69.2 | 10% | 0.099 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -99.8 | 165.3 | 175.6 | -63.9 | 169.9 | 0 | 0 | 0 | 109.6 | F144 C146 K151 L158 Y166 C167 | F144-L153 HydrophobicContact CD1-CB 4.04Å; F144-L153 VanDerWaalsContact CD1-O 3.28Å; F144-L153 WeakPolarHBondContact CD1-O 3.36Å; F144-L153 HydrophobicContact CE1-CB 4.11Å; F144-L153 PolarHBondContact O-N 2.86Å; C146-L153 HydrophobicContact CB-CD1 4.03Å; C146-L153 HydrophobicContact CB-CG 4.44Å; K151-L153 PolarHBondContact O-N 2.85Å; L153-L158 HydrophobicContact CD1-CB 4.13Å; L153-Y166 VanDerWaalsContact CD1-C 3.48Å; L153-Y166 WeakPolarHBondContact CD1-O 3.45Å; L153-C167 HydrophobicContact CD1-CB 4.01Å; L153-C167 HydrophobicContact CD2-CB 3.2Å; L153-C167 HydrophobicContact CG-CB 4.15Å |
| 154 | E | 75.3 | Confident | 80.6 | Confident | 131 Ų | 131 | 72.4 Ų | 72.4 | 61% | 0.612 | 41% | 0.413 | S | S | * | . | trans | -119.6 | 153.1 | 168.7 | -61.9 | -163.9 | 117.8 | 0 | 0 | 108 | T156 T157 | E154-T156 PolarHBondContact O-N 3Å; E154-T157 PolarHBondContact O-N 2.94Å | ||
| 155 | S | 67 | Low | 80.5 | Confident | 75 Ų | 75 | 72.5 Ų | 72.5 | 52% | 0.524 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -20.8 | -174.1 | 34.2 | 0 | 0 | 0 | 0 | 114.1 | L158 | S155-L158 WeakPolarHBondContact O-CD2 3.45Š|
| 156 | T | 70.8 | Confident | 80.5 | Confident | 127 Ų | 127 | 67 Ų | 67 | 78% | 0.779 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -25.2 | -178.8 | -49.6 | 0 | 0 | 0 | 0 | 114.5 | E154 | E154-T156 PolarHBondContact O-N 3Š|
| 157 | T | 72 | Confident | 80.5 | Confident | 76 Ų | 76 | 67.8 Ų | 67.8 | 47% | 0.466 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -133.9 | 31 | -167.3 | 61.2 | 0 | 0 | 0 | 0 | 115.7 | E154 K168 | E154-T157 PolarHBondContact O-N 2.94Å; T157-K168 PolarHBondContact O-N 2.78Å |
| 158 | L | 76.3 | Confident | 80.4 | Confident | 37 Ų | 37 | 73.7 Ų | 73.7 | 19% | 0.194 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 158.3 | 172 | 69.6 | 143.9 | 0 | 0 | 0 | 112.9 | F144 L153 S155 I165 Y166 | F144-L158 HydrophobicContact CE1-CD2 3.85Å; F144-L158 HydrophobicContact CE2-CD1 4.09Å; F144-L158 HydrophobicContact CZ-CB 4.42Å; F144-L158 HydrophobicContact CZ-CD1 3.65Å; F144-L158 HydrophobicContact CZ-CD2 3.44Å; F144-L158 VanDerWaalsContact CZ-CD2 3.44Å; F144-L158 HydrophobicContact CZ-CG 4.01Å; L153-L158 HydrophobicContact CD1-CB 4.13Å; S155-L158 WeakPolarHBondContact O-CD2 3.45Å; L158-I165 HydrophobicContact CD1-CB 4.45Å; L158-I165 HydrophobicContact CD1-CG2 3.89Å; L158-Y166 WeakPolarHBondContact CA-O 3.42Å |
| 159 | A | 84.8 | Confident | 80.5 | Confident | 20 Ų | 20 | 69.1 Ų | 69.1 | 17% | 0.165 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 134 | 163.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | Y166 Y171 | A159-Y166 PolarHBondContact N-O 2.93Å; A159-Y166 PolarHBondContact O-N 3.08Å; A159-Y171 HydrophobicContact CB-CD1 3.99Å; A159-Y171 HydrophobicContact CB-CD2 3.46Å; A159-Y171 VanDerWaalsContact CB-CD2 3.46Å; A159-Y171 HydrophobicContact CB-CE1 4.49Å; A159-Y171 HydrophobicContact CB-CE2 4.03Å; A159-Y171 HydrophobicContact CB-CG 3.44Å; A159-Y171 VanDerWaalsContact CB-CG 3.44Å |
| 160 | D | 82.1 | Confident | 80.4 | Confident | 88 Ų | 88 | 66.7 Ų | 66.7 | 47% | 0.471 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 140.8 | 176.7 | 64 | -81.5 | 0 | 0 | 0 | 112 | A135 E164 I165 | A135-D160 HydrophobicContact CB-CB 3.21Å; D160-E164 WeakPolarHBondContact CA-O 3.29Å; D160-I165 HydrophobicContact CB-CG2 4.48Å |
| 161 | K | 80.4 | Confident | 80.5 | Confident | 76 Ų | 76 | 68.8 Ų | 68.8 | 33% | 0.33 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 122.6 | -176.9 | -142.2 | -72.4 | -172 | 170.9 | 0 | 108.4 | G163 E164 Y166 Y171 F175 | K161-G163 PolarHBondContact O-N 2.86Å; K161-G163 VanDerWaalsContact O-N 3.16Å; K161-E164 PolarHBondContact N-O 2.77Å; K161-E164 PolarHBondContact O-N 2.9Å; K161-Y166 HydrophobicContact CB-CD2 4.02Å; K161-Y166 HydrophobicContact CB-CE2 3.81Å; K161-Y171 HydrophobicContact CB-CE2 4.3Å; K161-Y171 HydrophobicContact CG-CE2 4.06Å; K161-F175 HydrophobicContact CB-CE2 4.37Å; K161-F175 HydrophobicContact CB-CZ 4.29Å; K161-F175 HydrophobicContact CD-CE1 3.95Å; K161-F175 HydrophobicContact CD-CZ 4.13Å; K161-F175 HydrophobicContact CG-CD1 4.42Å; K161-F175 HydrophobicContact CG-CE1 4.09Å; K161-F175 HydrophobicContact CG-CE2 4.3Å; K161-F175 HydrophobicContact CG-CZ 4.01Å |
| 162 | D | 78.2 | Confident | 80.6 | Confident | 132 Ų | 132 | 64.9 Ų | 64.9 | 71% | 0.706 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 32 | 178.8 | -68.2 | -69.1 | 0 | 0 | 0 | 115 | E164 | D162-E164 VanDerWaalsContact C-N 3.35Š|
| 163 | G | 76.2 | Confident | 80.6 | Confident | 47 Ų | 47 | 69.7 Ų | 69.7 | 49% | 0.485 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | 3.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | K161 | K161-G163 PolarHBondContact O-N 2.86Å; K161-G163 VanDerWaalsContact O-N 3.16Å |
| 164 | E | 81.9 | Confident | 80.8 | Confident | 85 Ų | 85 | 72.8 Ų | 72.8 | 40% | 0.397 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 150.8 | 173.5 | -73 | 153.3 | 58.7 | 0 | 0 | 111.5 | A147 D160 K161 D162 Y166 | A147-E164 HydrophobicContact CB-CB 4.31Å; D160-E164 WeakPolarHBondContact CA-O 3.29Å; K161-E164 PolarHBondContact N-O 2.77Å; K161-E164 PolarHBondContact O-N 2.9Å; D162-E164 VanDerWaalsContact C-N 3.35Å; E164-Y166 HydrophobicContact CB-CE2 3.71Å; E164-Y166 PolarHBondContact OE1-OH 3.39Å |
| 165 | I | 86 | Confident | 81.1 | Confident | 4 Ų | 4 | 70.2 Ų | 70.2 | 2% | 0.021 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 136.9 | 178 | 58.7 | 172.9 | 0 | 0 | 0 | 111.2 | W139 F144 R145 C146 A147 L158 D160 | W139-I165 HydrophobicContact CD2-CD1 4.4Å; W139-I165 HydrophobicContact CE3-CD1 4.22Å; W139-I165 HydrophobicContact CH2-CD1 4.47Å; W139-I165 HydrophobicContact CH2-CG1 4.26Å; W139-I165 HydrophobicContact CH2-CG2 4.13Å; W139-I165 HydrophobicContact CZ2-CG2 3.71Å; W139-I165 HydrophobicContact CZ3-CD1 4.24Å; W139-I165 HydrophobicContact CZ3-CG1 4.37Å; F144-I165 HydrophobicContact CB-CD1 4.48Å; F144-I165 HydrophobicContact CD2-CD1 3.49Å; F144-I165 VanDerWaalsContact CD2-CD1 3.49Å; F144-I165 HydrophobicContact CE2-CD1 3.9Å; F144-I165 HydrophobicContact CG-CD1 3.97Å; R145-I165 WeakPolarHBondContact O-CG1 3.01Å; C146-I165 WeakPolarHBondContact CA-O 3.46Å; A147-I165 PolarHBondContact N-O 2.84Å; L158-I165 HydrophobicContact CD1-CB 4.45Å; L158-I165 HydrophobicContact CD1-CG2 3.89Å; D160-I165 HydrophobicContact CB-CG2 4.48Å |
| 166 | Y | 87.7 | Confident | 81.5 | Confident | 16 Ų | 16 | 67.6 Ų | 67.6 | 6% | 0.063 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 151 | -178 | -62.4 | -94.6 | 0 | 0 | 0 | 109.9 | A147 K148 L153 L158 A159 K161 E164 F175 | A147-Y166 HydrophobicContact CB-CE1 4.36Å; K148-Y166 HydrophobicContact CD-CE1 4.32Å; K148-Y166 HydrophobicContact CG-CD1 3.75Å; K148-Y166 HydrophobicContact CG-CE1 3.54Å; L153-Y166 VanDerWaalsContact CD1-C 3.48Å; L153-Y166 WeakPolarHBondContact CD1-O 3.45Å; L158-Y166 WeakPolarHBondContact CA-O 3.42Å; A159-Y166 PolarHBondContact N-O 2.93Å; A159-Y166 PolarHBondContact O-N 3.08Å; K161-Y166 HydrophobicContact CB-CD2 4.02Å; K161-Y166 HydrophobicContact CB-CE2 3.81Å; E164-Y166 HydrophobicContact CB-CE2 3.71Å; E164-Y166 PolarHBondContact OE1-OH 3.39Å; Y166-F175 HydrophobicContact CD1-CE2 4.14Å; Y166-F175 HydrophobicContact CD2-CE2 4.27Å; Y166-F175 HydrophobicContact CE1-CE2 4Å; Y166-F175 HydrophobicContact CE1-CZ 4.38Å; Y166-F175 HydrophobicContact CE2-CE2 4.19Å; Y166-F175 HydrophobicContact CE2-CZ 4.4Å; Y166-F175 HydrophobicContact CG-CE2 4.26Å |
| 167 | C | 88 | Confident | 81.5 | Confident | 18 Ų | 18 | 68 Ų | 68 | 12% | 0.122 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 152.6 | 171.4 | 75.8 | 0 | 0 | 0 | 0 | 110.4 | C146 L153 G169 C170 Y171 | C146-C167 HydrophobicContact CB-CB 4.23Å; C146-C167 PolarHBondContact SG-N 3.18Å; C146-C167 VanDerWaalsContact SG-N 3.4Å; L153-C167 HydrophobicContact CD1-CB 4.01Å; L153-C167 HydrophobicContact CD2-CB 3.2Å; L153-C167 HydrophobicContact CG-CB 4.15Å; C167-G169 PolarHBondContact O-N 2.99Å; C167-C170 PolarHBondContact O-N 2.86Å; C167-C170 VanDerWaalsContact SG-CB 3.6Å; C167-C170 PolarHBondContact SG-N 3.47Å; C167-C170 PolarHBondContact SG-SG 2.97Å; C167-Y171 WeakPolarHBondContact O-CB 3.36Å; C167-Y171 PolarHBondContact O-N 3.13Å |
| 168 | K | 83.6 | Confident | 80.9 | Confident | 161 Ų | 161 | 73 Ų | 73 | 70% | 0.7 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -46.3 | -39.9 | 176.1 | -172.3 | -179.6 | -179.4 | -179.9 | 0 | 113.1 | T157 A172 | T157-K168 PolarHBondContact O-N 2.78Å; K168-A172 VanDerWaalsContact O-CB 3.29Å; K168-A172 WeakPolarHBondContact O-CB 3.5Å; K168-A172 PolarHBondContact O-N 2.86Å |
| 169 | G | 85.2 | Confident | 79.8 | Confident | 34 Ų | 34 | 74.3 Ų | 74.3 | 35% | 0.351 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -68.2 | -43.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | C167 K173 | C167-G169 PolarHBondContact O-N 2.99Å; G169-K173 WeakPolarHBondContact O-CB 3.43Å; G169-K173 WeakPolarHBondContact O-CD 3.11Å; G169-K173 WeakPolarHBondContact O-CG 3.28Å; G169-K173 PolarHBondContact O-N 3.4Å |
| 170 | C | 86.2 | Confident | 78.7 | Confident | 18 Ų | 18 | 83.4 Ų | 83.4 | 12% | 0.122 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -71.6 | -39.3 | 176 | -73.5 | 0 | 0 | 0 | 0 | 110.8 | K148 C167 K173 N174 | K148-C170 HydrophobicContact CB-CB 4.29Å; C167-C170 PolarHBondContact O-N 2.86Å; C167-C170 VanDerWaalsContact SG-CB 3.6Å; C167-C170 PolarHBondContact SG-N 3.47Å; C167-C170 PolarHBondContact SG-SG 2.97Å; C170-K173 PolarHBondContact O-N 3.48Å; C170-N174 VanDerWaalsContact O-CB 3.27Å; C170-N174 WeakPolarHBondContact O-CB 3.39Å; C170-N174 PolarHBondContact O-N 2.82Å; C170-N174 PolarHBondContact O-OD1 2.84Å |
| 171 | Y | 86.5 | Confident | 77.1 | Confident | 89 Ų | 89 | 82.1 Ų | 82.1 | 35% | 0.349 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.4 | -48.8 | 178.1 | -171 | -94.8 | 0 | 0 | 0 | 111.3 | A159 K161 C167 K173 N174 F175 G176 | A159-Y171 HydrophobicContact CB-CD1 3.99Å; A159-Y171 HydrophobicContact CB-CD2 3.46Å; A159-Y171 VanDerWaalsContact CB-CD2 3.46Å; A159-Y171 HydrophobicContact CB-CE1 4.49Å; A159-Y171 HydrophobicContact CB-CE2 4.03Å; A159-Y171 HydrophobicContact CB-CG 3.44Å; A159-Y171 VanDerWaalsContact CB-CG 3.44Å; K161-Y171 HydrophobicContact CB-CE2 4.3Å; K161-Y171 HydrophobicContact CG-CE2 4.06Å; C167-Y171 WeakPolarHBondContact O-CB 3.36Å; C167-Y171 PolarHBondContact O-N 3.13Å; Y171-K173 PolarHBondContact O-N 3.02Å; Y171-N174 PolarHBondContact O-N 3.11Å; Y171-F175 HydrophobicContact CD2-CB 4.28Å; Y171-F175 AromaticContact CD2-CD2 3.42Å; Y171-F175 HydrophobicContact CD2-CD2 3.42Å; Y171-F175 VanDerWaalsContact CD2-CD2 3.42Å; Y171-F175 HydrophobicContact CD2-CE2 4.06Å; Y171-F175 HydrophobicContact CD2-CG 4.16Å; Y171-F175 HydrophobicContact CE1-CB 4.4Å; Y171-F175 HydrophobicContact CE2-CB 4.04Å; Y171-F175 AromaticContact CE2-CD2 3.69Å; Y171-F175 HydrophobicContact CE2-CD2 3.69Å; Y171-F175 HydrophobicContact CE2-CE2 4.39Å; Y171-F175 HydrophobicContact CE2-CG 4.03Å; Y171-F175 HydrophobicContact CG-CD2 4.11Å; Y171-F175 WeakPolarHBondContact O-CA 3.46Å; Y171-F175 WeakPolarHBondContact O-CB 3.48Å; Y171-F175 PolarHBondContact O-N 3.46Å; Y171-G176 PolarHBondContact O-N 3.46Å |
| 172 | A | 85 | Confident | 75.9 | Confident | 61 Ų | 61 | 89 Ų | 89 | 50% | 0.504 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.9 | -38.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | K168 G176 | K168-A172 VanDerWaalsContact O-CB 3.29Å; K168-A172 WeakPolarHBondContact O-CB 3.5Å; K168-A172 PolarHBondContact O-N 2.86Å; A172-G176 WeakPolarHBondContact O-CA 3.48Å; A172-G176 PolarHBondContact O-N 2.81Å; A172-G176 VanDerWaalsContact O-N 3.07Å |
| 173 | K | 83.5 | Confident | 74.6 | Confident | 150 Ų | 150 | 85.9 Ų | 85.9 | 65% | 0.652 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -73.9 | -29.2 | -179 | -70.8 | 172.7 | -163.8 | -175.5 | 0 | 114.1 | G169 C170 Y171 K178 | G169-K173 WeakPolarHBondContact O-CB 3.43Å; G169-K173 WeakPolarHBondContact O-CD 3.11Å; G169-K173 WeakPolarHBondContact O-CG 3.28Å; G169-K173 PolarHBondContact O-N 3.4Å; C170-K173 PolarHBondContact O-N 3.48Å; Y171-K173 PolarHBondContact O-N 3.02Å; K173-K178 PolarHBondContact O-NZ 3.22Å |
| 174 | N | 80.4 | Confident | 73.3 | Confident | 83 Ų | 83 | 92.9 Ų | 92.9 | 44% | 0.444 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -102.1 | -38.7 | -174.4 | -72 | 77.2 | 0 | 0 | 0 | 113.2 | C170 Y171 | C170-N174 VanDerWaalsContact O-CB 3.27Å; C170-N174 WeakPolarHBondContact O-CB 3.39Å; C170-N174 PolarHBondContact O-N 2.82Å; C170-N174 PolarHBondContact O-OD1 2.84Å; Y171-N174 PolarHBondContact O-N 3.11Å |
| 175 | F | 81.4 | Confident | 71.7 | Confident | 78 Ų | 78 | 92.6 Ų | 92.6 | 34% | 0.342 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -115 | -8.4 | -177.1 | -55.1 | -76.6 | 0 | 0 | 0 | 113.5 | K161 Y166 Y171 | K161-F175 HydrophobicContact CB-CE2 4.37Å; K161-F175 HydrophobicContact CB-CZ 4.29Å; K161-F175 HydrophobicContact CD-CE1 3.95Å; K161-F175 HydrophobicContact CD-CZ 4.13Å; K161-F175 HydrophobicContact CG-CD1 4.42Å; K161-F175 HydrophobicContact CG-CE1 4.09Å; K161-F175 HydrophobicContact CG-CE2 4.3Å; K161-F175 HydrophobicContact CG-CZ 4.01Å; Y166-F175 HydrophobicContact CD1-CE2 4.14Å; Y166-F175 HydrophobicContact CD2-CE2 4.27Å; Y166-F175 HydrophobicContact CE1-CE2 4Å; Y166-F175 HydrophobicContact CE1-CZ 4.38Å; Y166-F175 HydrophobicContact CE2-CE2 4.19Å; Y166-F175 HydrophobicContact CE2-CZ 4.4Å; Y166-F175 HydrophobicContact CG-CE2 4.26Å; Y171-F175 HydrophobicContact CD2-CB 4.28Å; Y171-F175 AromaticContact CD2-CD2 3.42Å; Y171-F175 HydrophobicContact CD2-CD2 3.42Å; Y171-F175 VanDerWaalsContact CD2-CD2 3.42Å; Y171-F175 HydrophobicContact CD2-CE2 4.06Å; Y171-F175 HydrophobicContact CD2-CG 4.16Å; Y171-F175 HydrophobicContact CE1-CB 4.4Å; Y171-F175 HydrophobicContact CE2-CB 4.04Å; Y171-F175 AromaticContact CE2-CD2 3.69Å; Y171-F175 HydrophobicContact CE2-CD2 3.69Å; Y171-F175 HydrophobicContact CE2-CE2 4.39Å; Y171-F175 HydrophobicContact CE2-CG 4.03Å; Y171-F175 HydrophobicContact CG-CD2 4.11Å; Y171-F175 WeakPolarHBondContact O-CA 3.46Å; Y171-F175 WeakPolarHBondContact O-CB 3.48Å; Y171-F175 PolarHBondContact O-N 3.46Å |
| 176 | G | 75.7 | Confident | 69.8 | Low | 20 Ų | 20 | 97.4 Ų | 97.4 | 21% | 0.206 | 57% | 0.57 | C | S | . | * | S | Bend | trans | -63 | 156.5 | 171 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y171 A172 K178 | Y171-G176 PolarHBondContact O-N 3.46Å; A172-G176 WeakPolarHBondContact O-CA 3.48Å; A172-G176 PolarHBondContact O-N 2.81Å; A172-G176 VanDerWaalsContact O-N 3.07Å; G176-K178 PolarHBondContact O-N 2.92Å |
| 177 | P | 71.1 | Confident | 68.2 | Low | 134 Ų | 134 | 100 Ų | 100 | 87% | 0.87 | 60% | 0.602 | S | S | * | * | trans | -57.5 | 100.7 | 180 | 24.7 | -33.9 | 0 | 0 | 0 | 109.7 | G179 | P177-G179 PolarHBondContact O-N 3.05Å; P177-G179 VanDerWaalsContact O-N 3.15Å | ||
| 178 | K | 59.8 | Low | 66.3 | Low | 181 Ų | 181 | 102.8 Ų | 102.8 | 79% | 0.787 | 63% | 0.626 | S | S | * | * | trans | -91.6 | 62.9 | -179.5 | -149.2 | 160 | -174.5 | 158.6 | 0 | 107.9 | K173 G176 | K173-K178 PolarHBondContact O-NZ 3.22Å; G176-K178 PolarHBondContact O-N 2.92Å | ||
| 179 | G | 53.2 | Low | 64.8 | Low | 65 Ų | 65 | 102.5 Ų | 102.5 | 67% | 0.67 | 63% | 0.631 | S | S | * | * | trans | 163.3 | 87.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.3 | P177 | P177-G179 PolarHBondContact O-N 3.05Å; P177-G179 VanDerWaalsContact O-N 3.15Å | ||
| 180 | F | 60.7 | Low | 63.3 | Low | 212 Ų | 212 | 107.5 Ų | 107.5 | 93% | 0.93 | 66% | 0.655 | S | S | * | * | trans | -160.4 | 126.8 | 137.4 | -158.9 | -106.5 | 0 | 0 | 0 | 108 | ||||
| 181 | G | 48.8 | Very low | 61.4 | Low | 61 Ų | 61 | 114.4 Ų | 114.4 | 63% | 0.629 | 69% | 0.685 | S | S | * | * | trans | -82.1 | 169.6 | -157.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 182 | F | 54.9 | Low | 59.5 | Low | 221 Ų | 221 | 115.5 Ų | 115.5 | 97% | 0.969 | 71% | 0.706 | S | S | * | * | trans | 160.6 | 121.7 | 153.7 | -105.5 | -86.7 | 0 | 0 | 0 | 103.9 | ||||
| 183 | G | 49.9 | Very low | 58.3 | Low | 66 Ų | 66 | 124.5 Ų | 124.5 | 68% | 0.68 | 74% | 0.737 | S | S | * | * | cis | 130.5 | 116.2 | 28.6 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 184 | Q | 50.3 | Low | 57.1 | Low | 194 Ų | 194 | 123.2 Ų | 123.2 | 91% | 0.907 | 74% | 0.742 | S | S | * | * | trans | 61.8 | 114.4 | 165.4 | -134.4 | 83.8 | 21.3 | 0 | 0 | 120.5 | ||||
| 185 | G | 48.2 | Very low | 55.8 | Low | 79 Ų | 79 | 125.3 Ų | 125.3 | 81% | 0.814 | 76% | 0.757 | S | S | * | * | trans | -173.1 | 43 | 163.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | G187 | G185-G187 PolarHBondContact O-N 3.28Š| ||
| 186 | A | 46.6 | Very low | 54.4 | Low | 105 Ų | 105 | 127.9 Ų | 127.9 | 87% | 0.868 | 78% | 0.78 | S | S | * | * | trans | -68.1 | 124.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 187 | G | 52.7 | Low | 53.2 | Low | 71 Ų | 71 | 134.3 Ų | 134.3 | 73% | 0.732 | 81% | 0.814 | S | S | * | * | trans | -162.3 | 90.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | G185 | G185-G187 PolarHBondContact O-N 3.28Š| ||
| 188 | A | 49 | Very low | 52 | Low | 76 Ų | 76 | 134.3 Ų | 134.3 | 63% | 0.628 | 81% | 0.811 | S | S | * | * | trans | 57.1 | 95.7 | 153.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 189 | L | 50.7 | Low | 51.5 | Low | 154 Ų | 154 | 131.2 Ų | 131.2 | 81% | 0.806 | 81% | 0.812 | S | S | * | * | 18.7 | 105 | 79.5 | 62.8 | 157.6 | 0 | 0 | 0 | 115 | |||||
| 190 | V | 53.6 | Low | 51.4 | Low | 140 Ų | 140 | 135.9 Ų | 135.9 | 85% | 0.848 | 82% | 0.822 | S | S | * | * | trans | -114.1 | 126.5 | 153.2 | -66 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 191 | H | 48.1 | Very low | 50.7 | Low | 163 Ų | 163 | 130.1 Ų | 130.1 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | trans | -67.1 | 146.9 | -171.7 | -103.4 | 103.8 | 0 | 0 | 0 | 112.8 | E193 | H191-E193 IonicContact CD2-OE2 3.98Š| ||
| 192 | S | 46.8 | Very low | 50.8 | Low | 112 Ų | 112 | 135.8 Ų | 135.8 | 78% | 0.783 | 83% | 0.83 | S | S | * | * | trans | -90 | 126.9 | 157.5 | -59 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 193 | E | 59.2 | Low | 50.5 | Low | 249 Ų | 249 | 128.1 Ų | 128.1 | 100% | 1.164 | 82% | 0.817 | S | S | * | * | trans | -137.6 | 0 | 153.4 | -116.6 | 122.1 | 78.8 | 0 | 0 | 108.4 | H191 | H191-E193 IonicContact CD2-OE2 3.98Š|
Retrieved 193 of 193 residues in 152.2 ms
(Link to these results)