| 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 | 49.9 | Very low | 69.3 | Low | 231 Ų | 231 | 109.6 Ų | 109.6 | 100% | 1.138 | 66% | 0.657 | S | S | * | * | 0 | 118.7 | 0 | -70.4 | 153.6 | 157.7 | 0 | 0 | 107.4 | N3 | M1-N3 PolarHBondContact O-N 3.37Š| |||
| 2 | P | 55 | Low | 70.7 | Confident | 126 Ų | 126 | 104.1 Ų | 104.1 | 82% | 0.818 | 63% | 0.632 | S | S | * | * | trans | -67.4 | 126.3 | -179.4 | -11.8 | 26.6 | 0 | 0 | 0 | 109.6 | W4 | P2-W4 PolarHBondContact O-N 3.19Š| ||
| 3 | N | 51.9 | Low | 72 | Confident | 164 Ų | 164 | 99.3 Ų | 99.3 | 88% | 0.877 | 61% | 0.605 | S | S | * | * | trans | -74.6 | 102.1 | -179.4 | -163.1 | -6.3 | 0 | 0 | 0 | 108.6 | M1 G5 | M1-N3 PolarHBondContact O-N 3.37Å; N3-G5 PolarHBondContact O-N 2.9Å | ||
| 4 | W | 57.4 | Low | 73 | Confident | 252 Ų | 252 | 103.6 Ų | 103.6 | 96% | 0.955 | 62% | 0.615 | S | S | * | * | trans | -70.8 | 114.4 | 179 | -104.7 | -51.1 | 0 | 0 | 0 | 110.6 | P2 | P2-W4 PolarHBondContact O-N 3.19Š| ||
| 5 | G | 55.5 | Low | 74.1 | Confident | 67 Ų | 67 | 106.3 Ų | 106.3 | 69% | 0.691 | 62% | 0.616 | S | S | * | * | trans | 76.8 | 92.3 | 141.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | N3 G7 | N3-G5 PolarHBondContact O-N 2.9Å; G5-G7 VanDerWaalsContact C-N 3.29Å; G5-G7 PolarHBondContact O-N 3.25Å | ||
| 6 | G | 67.8 | Low | 75.1 | Confident | 91 Ų | 91 | 104.1 Ų | 104.1 | 94% | 0.938 | 61% | 0.605 | S | S | * | * | trans | -66 | 88 | 159.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 7 | G | 76.2 | Confident | 75.9 | Confident | 35 Ų | 35 | 98.1 Ų | 98.1 | 36% | 0.361 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -67.6 | 149.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | G5 | G5-G7 VanDerWaalsContact C-N 3.29Å; G5-G7 PolarHBondContact O-N 3.25Å |
| 8 | A | 85.3 | Confident | 76.6 | Confident | 45 Ų | 45 | 101.9 Ų | 101.9 | 37% | 0.372 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -60.1 | 140.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | V17 S29 | A8-V17 PolarHBondContact O-N 3.11Å; A8-S29 WeakPolarHBondContact CB-OG 3.21Å |
| 9 | K | 89.8 | Confident | 76.9 | Confident | 155 Ų | 155 | 104.9 Ų | 104.9 | 67% | 0.674 | 58% | 0.583 | S | S | * | * | B | Isolated β-bridge | trans | -85.3 | 142.3 | 178.9 | -64.6 | -173.2 | 179.8 | -176.7 | 0 | 110.8 | G11 | K9-G11 PolarHBondContact O-N 2.88Å |
| 10 | C | 89.2 | Confident | 77.3 | Confident | 2 Ų | 2 | 103.8 Ų | 103.8 | 1% | 0.014 | 59% | 0.587 | C | S | . | * | B | Isolated β-bridge | trans | -67.8 | 125.4 | 175.5 | -179.6 | 0 | 0 | 0 | 0 | 110.5 | A12 C13 E14 K15 V17 S29 H31 | C10-A12 PolarHBondContact O-N 2.9Å; C10-A12 VanDerWaalsContact O-N 3.11Å; C10-A12 PolarHBondContact SG-N 3.13Å; C10-C13 VanDerWaalsContact CB-SG 3.55Å; C10-C13 PolarHBondContact SG-N 2.86Å; C10-C13 VanDerWaalsContact SG-N 3.44Å; C10-C13 VanDerWaalsContact SG-SG 3.65Å; C10-E14 WeakPolarHBondContact O-CA 3.16Å; C10-E14 PolarHBondContact O-N 3.25Å; C10-K15 WeakPolarHBondContact CB-O 3.47Å; C10-K15 PolarHBondContact N-O 3.41Å; C10-V17 HydrophobicContact CB-CG2 3.55Å; C10-S29 CarbonylContact C-O 3.55Å; C10-S29 WeakPolarHBondContact CA-O 3.36Å; C10-H31 VanDerWaalsContact CB-CE1 3.47Å; C10-H31 WeakPolarHBondContact CB-CE1 3.37Å; C10-H31 WeakPolarHBondContact CB-ND1 3.5Å; C10-H31 PolarHBondContact SG-ND1 2.95Å; C10-H31 VanDerWaalsContact SG-ND1 3.42Å |
| 11 | G | 84.3 | Confident | 77.5 | Confident | 38 Ų | 38 | 103.7 Ų | 103.7 | 39% | 0.392 | 58% | 0.582 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66 | -9.8 | 176 | 0 | 0 | 0 | 0 | 0 | 115.2 | K9 S29 | K9-G11 PolarHBondContact O-N 2.88Å; G11-S29 PolarHBondContact N-O 3.18Å |
| 12 | A | 85.5 | Confident | 79.4 | Confident | 43 Ų | 43 | 94.6 Ų | 94.6 | 36% | 0.355 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | -33.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114 | C10 F30 C34 | C10-A12 PolarHBondContact O-N 2.9Å; C10-A12 VanDerWaalsContact O-N 3.11Å; C10-A12 PolarHBondContact SG-N 3.13Å; A12-F30 HydrophobicContact CB-CD1 3.98Å; A12-F30 HydrophobicContact CB-CE1 4.2Å; A12-C34 HydrophobicContact CB-CB 3.99Å |
| 13 | C | 88.1 | Confident | 80.9 | Confident | 42 Ų | 42 | 90.5 Ų | 90.5 | 28% | 0.284 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.3 | 0.7 | -179.7 | 76 | 0 | 0 | 0 | 0 | 114.3 | C10 K15 H31 | C10-C13 VanDerWaalsContact CB-SG 3.55Å; C10-C13 PolarHBondContact SG-N 2.86Å; C10-C13 VanDerWaalsContact SG-N 3.44Å; C10-C13 VanDerWaalsContact SG-SG 3.65Å; C13-K15 PolarHBondContact O-N 2.81Å; C13-H31 PolarHBondContact SG-CE1 2.81Å; C13-H31 PolarHBondContact SG-ND1 3.11Å |
| 14 | E | 86.2 | Confident | 82.7 | Confident | 160 Ų | 160 | 89.2 Ų | 89.2 | 75% | 0.748 | 50% | 0.496 | S | S | * | . | trans | 60.7 | -2.4 | 178.5 | -58 | -178.3 | 170 | 0 | 0 | 116.3 | C10 | C10-E14 WeakPolarHBondContact O-CA 3.16Å; C10-E14 PolarHBondContact O-N 3.25Å | ||
| 15 | K | 88.9 | Confident | 84 | Confident | 144 Ų | 144 | 78 Ų | 78 | 63% | 0.626 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -72.8 | 154.1 | 174.3 | -60.8 | 172.2 | -171.6 | 177.8 | 0 | 110.8 | C10 C13 V17 | C10-K15 WeakPolarHBondContact CB-O 3.47Å; C10-K15 PolarHBondContact N-O 3.41Å; C13-K15 PolarHBondContact O-N 2.81Å; K15-V17 PolarHBondContact O-N 2.89Å |
| 16 | T | 89.9 | Confident | 85.2 | Confident | 71 Ų | 71 | 80 Ų | 80 | 44% | 0.436 | 45% | 0.451 | S | S | . | . | B | Isolated β-bridge | trans | -61.1 | 132.6 | 174 | 49.2 | 0 | 0 | 0 | 0 | 110.4 | H31 | T16-H31 PolarHBondContact O-NE2 3.38Å; T16-H31 VanDerWaalsContact O-NE2 3.13Å |
| 17 | V | 89.7 | Confident | 86 | Confident | 2 Ų | 2 | 79.9 Ų | 79.9 | 1% | 0.012 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -102.3 | 125.8 | 174.2 | -166.9 | 0 | 0 | 0 | 0 | 107.2 | A8 C10 K15 E22 | A8-V17 PolarHBondContact O-N 3.11Å; C10-V17 HydrophobicContact CB-CG2 3.55Å; K15-V17 PolarHBondContact O-N 2.89Å; V17-E22 HydrophobicContact CB-CB 4.43Å; V17-E22 VanDerWaalsContact CG1-CA 3.44Å; V17-E22 HydrophobicContact CG1-CB 3.51Å |
| 18 | Y | 87.9 | Confident | 86.4 | Confident | 167 Ų | 167 | 83.3 Ų | 83.3 | 66% | 0.655 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -83.2 | 150.1 | 172.6 | -64.2 | -77.2 | 0 | 0 | 0 | 109.8 | A20 E21 E22 | Y18-A20 PolarHBondContact O-N 3.35Å; Y18-E21 PolarHBondContact O-N 2.81Å; Y18-E22 PolarHBondContact O-N 3.43Å; Y18-E22 VanDerWaalsContact O-N 3.11Å |
| 19 | H | 82.3 | Confident | 86.7 | Confident | 159 Ų | 159 | 81.8 Ų | 81.8 | 74% | 0.736 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -26.8 | -176.7 | -138.3 | 34.8 | 0 | 0 | 0 | 113.8 | E22 | H19-E22 IonicContact CE1-OE1 3.08Å; H19-E22 PolarHBondContact CE1-OE1 3.44Å; H19-E22 IonicContact CE1-OE2 3.71Å; H19-E22 IonicContact CG-OE2 3.82Å; H19-E22 IonicContact ND1-OE1 2.95Å; H19-E22 PolarHBondContact ND1-OE1 3.32Å; H19-E22 IonicContact ND1-OE2 2.81Å; H19-E22 PolarHBondContact ND1-OE2 3.42Å |
| 20 | A | 84.3 | Confident | 86.7 | Confident | 81 Ų | 81 | 74.7 Ų | 74.7 | 67% | 0.669 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -24.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y18 K32 | Y18-A20 PolarHBondContact O-N 3.35Å; A20-K32 PolarHBondContact O-NZ 2.92Å; A20-K32 VanDerWaalsContact O-NZ 3.14Å |
| 21 | E | 83.4 | Confident | 86.7 | Confident | 102 Ų | 102 | 75.4 Ų | 75.4 | 48% | 0.477 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | 4.6 | -176.5 | -64.5 | -163.6 | 151.1 | 0 | 0 | 113.2 | Y18 K32 | Y18-E21 PolarHBondContact O-N 2.81Å; E21-K32 PolarHBondContact O-N 3.08Å |
| 22 | E | 88 | Confident | 86.9 | Confident | 40 Ų | 40 | 79.9 Ų | 79.9 | 19% | 0.187 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 135.4 | -177.2 | 79.9 | 179.3 | -144.1 | 0 | 0 | 112.7 | V17 Y18 H19 Q24 F30 | V17-E22 HydrophobicContact CB-CB 4.43Å; V17-E22 VanDerWaalsContact CG1-CA 3.44Å; V17-E22 HydrophobicContact CG1-CB 3.51Å; Y18-E22 PolarHBondContact O-N 3.43Å; Y18-E22 VanDerWaalsContact O-N 3.11Å; H19-E22 IonicContact CE1-OE1 3.08Å; H19-E22 PolarHBondContact CE1-OE1 3.44Å; H19-E22 IonicContact CE1-OE2 3.71Å; H19-E22 IonicContact CG-OE2 3.82Å; H19-E22 IonicContact ND1-OE1 2.95Å; H19-E22 PolarHBondContact ND1-OE1 3.32Å; H19-E22 IonicContact ND1-OE2 2.81Å; H19-E22 PolarHBondContact ND1-OE2 3.42Å; E22-Q24 PolarHBondContact OE1-NE2 3.41Å; E22-F30 CarbonylContact C-O 3.52Å |
| 23 | I | 88.2 | Confident | 87.1 | Confident | 41 Ų | 41 | 83.6 Ų | 83.6 | 21% | 0.21 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 117.7 | 163.9 | -60.4 | -177.2 | 0 | 0 | 0 | 106.1 | S29 F30 K32 F35 | I23-S29 CarbonylContact O-C 3.59Å; I23-S29 WeakPolarHBondContact O-CA 3.38Å; I23-F30 PolarHBondContact N-O 3.08Å; I23-F30 PolarHBondContact O-N 3.23Å; I23-K32 HydrophobicContact CD1-CB 4.27Å; I23-K32 HydrophobicContact CD1-CG 3.93Å; I23-K32 HydrophobicContact CG1-CG 4.01Å; I23-F35 HydrophobicContact CB-CD2 4.41Å; I23-F35 HydrophobicContact CD1-CB 3.8Å; I23-F35 HydrophobicContact CD1-CD1 3.94Å; I23-F35 HydrophobicContact CD1-CG 3.86Å; I23-F35 HydrophobicContact CG2-CD1 4.3Å; I23-F35 HydrophobicContact CG2-CD2 3.87Å; I23-F35 HydrophobicContact CG2-CE1 4.28Å; I23-F35 HydrophobicContact CG2-CE2 3.82Å; I23-F35 HydrophobicContact CG2-CG 4.12Å; I23-F35 HydrophobicContact CG2-CZ 4.03Å |
| 24 | Q | 87.9 | Confident | 87.1 | Confident | 136 Ų | 136 | 82.5 Ų | 82.5 | 64% | 0.636 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 123.6 | 176.2 | -63 | -174.9 | -10 | 0 | 0 | 109.7 | E22 R28 | E22-Q24 PolarHBondContact OE1-NE2 3.41Å; Q24-R28 CarbonylContact C-O 3.51Å; Q24-R28 WeakPolarHBondContact CA-O 3.21Å |
| 25 | C | 84.8 | Confident | 87.3 | Confident | 16 Ų | 16 | 75.2 Ų | 75.2 | 11% | 0.108 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 124.7 | 175.9 | -171.9 | 0 | 0 | 0 | 0 | 109.5 | G27 R28 F30 F35 I56 | C25-G27 VanDerWaalsContact C-N 3.29Å; C25-G27 PolarHBondContact O-N 2.94Å; C25-R28 PolarHBondContact N-O 3.21Å; C25-R28 PolarHBondContact O-N 3.24Å; C25-F30 HydrophobicContact CB-CD2 4.24Å; C25-F30 HydrophobicContact CB-CE2 4.11Å; C25-F35 HydrophobicContact CB-CE2 3.92Å; C25-I56 HydrophobicContact CB-CG2 4.45Å |
| 26 | N | 82.5 | Confident | 87.3 | Confident | 109 Ų | 109 | 70 Ų | 70 | 58% | 0.583 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 43 | 177.3 | -161.5 | 40 | 0 | 0 | 0 | 113.7 | R28 A51 | N26-R28 PolarHBondContact O-N 3.09Å; N26-A51 HydrophobicContact CB-CB 3.54Å |
| 27 | G | 83.3 | Confident | 87.3 | Confident | 89 Ų | 89 | 66.6 Ų | 66.6 | 92% | 0.918 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | 7.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | C25 | C25-G27 VanDerWaalsContact C-N 3.29Å; C25-G27 PolarHBondContact O-N 2.94Å |
| 28 | R | 85.9 | Confident | 87.1 | Confident | 108 Ų | 108 | 70.2 Ų | 70.2 | 41% | 0.408 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 151.9 | 174.6 | -67.7 | -175.3 | 171.4 | -168.9 | -4.8 | 111.2 | Q24 C25 N26 F30 S54 | Q24-R28 CarbonylContact C-O 3.51Å; Q24-R28 WeakPolarHBondContact CA-O 3.21Å; C25-R28 PolarHBondContact N-O 3.21Å; C25-R28 PolarHBondContact O-N 3.24Å; N26-R28 PolarHBondContact O-N 3.09Å; R28-F30 HydrophobicContact CB-CE2 3.72Å; R28-F30 HydrophobicContact CB-CZ 4.06Å; R28-S54 VanDerWaalsContact NH1-CB 3.26Å; R28-S54 PolarHBondContact NH1-O 3.31Å; R28-S54 PolarHBondContact NH1-OG 3.14Å; R28-S54 VanDerWaalsContact NH1-OG 3.09Å; R28-S54 PolarHBondContact NH2-OG 2.99Å |
| 29 | S | 90.1 | Very high | 87 | Confident | 13 Ų | 13 | 63.4 Ų | 63.4 | 9% | 0.091 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 142.6 | 175.1 | -60.5 | 0 | 0 | 0 | 0 | 110.3 | A8 C10 G11 I23 | A8-S29 WeakPolarHBondContact CB-OG 3.21Å; C10-S29 CarbonylContact C-O 3.55Å; C10-S29 WeakPolarHBondContact CA-O 3.36Å; G11-S29 PolarHBondContact N-O 3.18Å; I23-S29 CarbonylContact O-C 3.59Å; I23-S29 WeakPolarHBondContact O-CA 3.38Å |
| 30 | F | 90.3 | Very high | 87.2 | Confident | 6 Ų | 6 | 59 Ų | 59 | 3% | 0.026 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 148.6 | 176.1 | -62 | -90.5 | 0 | 0 | 0 | 109.8 | A12 E22 I23 C25 R28 F35 I56 | A12-F30 HydrophobicContact CB-CD1 3.98Å; A12-F30 HydrophobicContact CB-CE1 4.2Å; E22-F30 CarbonylContact C-O 3.52Å; I23-F30 PolarHBondContact N-O 3.08Å; I23-F30 PolarHBondContact O-N 3.23Å; C25-F30 HydrophobicContact CB-CD2 4.24Å; C25-F30 HydrophobicContact CB-CE2 4.11Å; R28-F30 HydrophobicContact CB-CE2 3.72Å; R28-F30 HydrophobicContact CB-CZ 4.06Å; F30-F35 HydrophobicContact CB-CD2 4.08Å; F30-F35 HydrophobicContact CD2-CD2 4.33Å; F30-F35 HydrophobicContact CG-CD2 4.23Å; F30-I56 HydrophobicContact CD1-CD1 4.31Å; F30-I56 HydrophobicContact CE1-CD1 4.24Å; F30-I56 HydrophobicContact CE2-CG2 4.02Å; F30-I56 HydrophobicContact CZ-CD1 4.49Å; F30-I56 HydrophobicContact CZ-CG2 3.9Å |
| 31 | H | 90.3 | Very high | 87.3 | Confident | 17 Ų | 17 | 64 Ų | 64 | 8% | 0.079 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 151.2 | 165.4 | -57.2 | 92.3 | 0 | 0 | 0 | 110.1 | C10 C13 T16 T33 C34 F35 | C10-H31 VanDerWaalsContact CB-CE1 3.47Å; C10-H31 WeakPolarHBondContact CB-CE1 3.37Å; C10-H31 WeakPolarHBondContact CB-ND1 3.5Å; C10-H31 PolarHBondContact SG-ND1 2.95Å; C10-H31 VanDerWaalsContact SG-ND1 3.42Å; C13-H31 PolarHBondContact SG-CE1 2.81Å; C13-H31 PolarHBondContact SG-ND1 3.11Å; T16-H31 PolarHBondContact O-NE2 3.38Å; T16-H31 VanDerWaalsContact O-NE2 3.13Å; H31-T33 PolarHBondContact O-N 3.04Å; H31-C34 HydrophobicContact CB-CB 3.95Å; H31-C34 CarbonylContact O-C 3.59Å; H31-C34 PolarHBondContact O-N 3.03Å; H31-F35 PolarHBondContact O-N 2.79Å |
| 32 | K | 87.6 | Confident | 87.5 | Confident | 131 Ų | 131 | 64.9 Ų | 64.9 | 57% | 0.57 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -50.4 | -39.2 | 169.6 | -65.9 | 176.6 | -179 | 172.7 | 0 | 112.9 | A20 E21 I23 | A20-K32 PolarHBondContact O-NZ 2.92Å; A20-K32 VanDerWaalsContact O-NZ 3.14Å; E21-K32 PolarHBondContact O-N 3.08Å; I23-K32 HydrophobicContact CD1-CB 4.27Å; I23-K32 HydrophobicContact CD1-CG 3.93Å; I23-K32 HydrophobicContact CG1-CG 4.01Å |
| 33 | T | 88.8 | Confident | 87.5 | Confident | 121 Ų | 121 | 66.2 Ų | 66.2 | 74% | 0.742 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -77.3 | -25.1 | 177.9 | 54.9 | 0 | 0 | 0 | 0 | 113.5 | H31 | H31-T33 PolarHBondContact O-N 3.04Š|
| 34 | C | 88.5 | Confident | 87.4 | Confident | 20 Ų | 20 | 64.7 Ų | 64.7 | 14% | 0.135 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -92.6 | -0.3 | -179.7 | -62.8 | 0 | 0 | 0 | 0 | 113 | A12 H31 H36 | A12-C34 HydrophobicContact CB-CB 3.99Å; H31-C34 HydrophobicContact CB-CB 3.95Å; H31-C34 CarbonylContact O-C 3.59Å; H31-C34 PolarHBondContact O-N 3.03Å; C34-H36 VanDerWaalsContact C-N 3.32Å; C34-H36 PolarHBondContact O-CE1 2.93Å; C34-H36 PolarHBondContact O-N 3.36Å; C34-H36 PolarHBondContact O-ND1 2.76Å; C34-H36 VanDerWaalsContact O-ND1 3.08Å |
| 35 | F | 90.1 | Very high | 87.1 | Confident | 6 Ų | 6 | 62.7 Ų | 62.7 | 3% | 0.026 | 34% | 0.344 | C | S | . | . | trans | -85.1 | 74.1 | -179.3 | -163.7 | -114.6 | 0 | 0 | 0 | 111.4 | I23 C25 F30 H31 L44 V49 I56 | I23-F35 HydrophobicContact CB-CD2 4.41Å; I23-F35 HydrophobicContact CD1-CB 3.8Å; I23-F35 HydrophobicContact CD1-CD1 3.94Å; I23-F35 HydrophobicContact CD1-CG 3.86Å; I23-F35 HydrophobicContact CG2-CD1 4.3Å; I23-F35 HydrophobicContact CG2-CD2 3.87Å; I23-F35 HydrophobicContact CG2-CE1 4.28Å; I23-F35 HydrophobicContact CG2-CE2 3.82Å; I23-F35 HydrophobicContact CG2-CG 4.12Å; I23-F35 HydrophobicContact CG2-CZ 4.03Å; C25-F35 HydrophobicContact CB-CE2 3.92Å; F30-F35 HydrophobicContact CB-CD2 4.08Å; F30-F35 HydrophobicContact CD2-CD2 4.33Å; F30-F35 HydrophobicContact CG-CD2 4.23Å; H31-F35 PolarHBondContact O-N 2.79Å; F35-L44 HydrophobicContact CD1-CB 3.71Å; F35-L44 WeakPolarHBondContact CD1-O 3.36Å; F35-L44 HydrophobicContact CE1-CB 3.49Å; F35-L44 VanDerWaalsContact CE1-CB 3.49Å; F35-L44 HydrophobicContact CG-CB 4.5Å; F35-L44 HydrophobicContact CZ-CB 4.18Å; F35-L44 PolarHBondContact O-N 3.12Å; F35-V49 HydrophobicContact CE1-CB 4.32Å; F35-V49 HydrophobicContact CE2-CG2 4.24Å; F35-V49 HydrophobicContact CZ-CB 3.72Å; F35-V49 HydrophobicContact CZ-CG1 3.86Å; F35-V49 HydrophobicContact CZ-CG2 3.8Å; F35-I56 HydrophobicContact CD2-CD1 3.56Å; F35-I56 HydrophobicContact CE2-CD1 3.83Å; F35-I56 HydrophobicContact CG-CD1 4.31Å | ||
| 36 | H | 90.3 | Very high | 86.6 | Confident | 35 Ų | 35 | 66.9 Ų | 66.9 | 16% | 0.162 | 37% | 0.373 | C | S | . | . | B | Isolated β-bridge | trans | -129 | 151.2 | -179.1 | 54.6 | -93.1 | 0 | 0 | 0 | 111.7 | C34 M38 K42 I56 | C34-H36 VanDerWaalsContact C-N 3.32Å; C34-H36 PolarHBondContact O-CE1 2.93Å; C34-H36 PolarHBondContact O-N 3.36Å; C34-H36 PolarHBondContact O-ND1 2.76Å; C34-H36 VanDerWaalsContact O-ND1 3.08Å; H36-M38 VanDerWaalsContact CD2-CE 3.46Å; H36-M38 WeakPolarHBondContact CD2-CE 3.46Å; H36-M38 WeakPolarHBondContact NE2-CE 3.42Å; H36-M38 WeakPolarHBondContact O-CE 3.46Å; H36-M38 PolarHBondContact O-N 2.82Å; H36-K42 WeakPolarHBondContact CA-O 3.37Å; H36-I56 WeakPolarHBondContact O-CD1 3.37Å; H36-I56 WeakPolarHBondContact O-CG1 3.04Å |
| 37 | C | 89.3 | Confident | 86.2 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 38% | 0.376 | C | S | . | . | trans | -62.7 | 130.6 | 176.7 | 179.6 | 0 | 0 | 0 | 0 | 111.1 | A39 C40 R41 K42 L44 C58 C61 | C37-A39 VanDerWaalsContact C-N 3.27Å; C37-A39 PolarHBondContact O-N 3.43Å; C37-A39 PolarHBondContact SG-N 3.27Å; C37-A39 VanDerWaalsContact SG-N 3.42Å; C37-C40 VanDerWaalsContact CB-SG 3.53Å; C37-R41 WeakPolarHBondContact O-CA 3.48Å; C37-R41 PolarHBondContact O-N 2.97Å; C37-K42 PolarHBondContact N-O 2.87Å; C37-L44 HydrophobicContact CB-CD1 4.16Å; C37-L44 HydrophobicContact CB-CD2 4.11Å; C37-L44 HydrophobicContact CB-CG 4.2Å; C37-C58 HydrophobicContact CB-CB 4.14Å; C37-C58 PolarHBondContact SG-N 2.87Å; C37-C61 PolarHBondContact SG-SG 3Å | ||
| 38 | M | 85.5 | Confident | 85.9 | Confident | 77 Ų | 77 | 64.9 Ų | 64.9 | 38% | 0.379 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -28.8 | 177.2 | -69.7 | -64.8 | 108.4 | 0 | 0 | 113.1 | H36 E55 I56 Y57 | H36-M38 VanDerWaalsContact CD2-CE 3.46Å; H36-M38 WeakPolarHBondContact CD2-CE 3.46Å; H36-M38 WeakPolarHBondContact NE2-CE 3.42Å; H36-M38 WeakPolarHBondContact O-CE 3.46Å; H36-M38 PolarHBondContact O-N 2.82Å; M38-E55 HydrophobicContact CG-CB 4.34Å; M38-I56 PolarHBondContact N-O 3.25Å; M38-Y57 HydrophobicContact CB-CE1 4.11Å |
| 39 | A | 85.8 | Confident | 85.9 | Confident | 24 Ų | 24 | 61.1 Ų | 61.1 | 20% | 0.198 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -45.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | C37 Y57 C61 | C37-A39 VanDerWaalsContact C-N 3.27Å; C37-A39 PolarHBondContact O-N 3.43Å; C37-A39 PolarHBondContact SG-N 3.27Å; C37-A39 VanDerWaalsContact SG-N 3.42Å; A39-Y57 HydrophobicContact CB-CD1 4.02Å; A39-Y57 HydrophobicContact CB-CE1 4.03Å; A39-C61 HydrophobicContact CB-CB 4.12Å |
| 40 | C | 86.9 | Confident | 85.8 | Confident | 66 Ų | 66 | 61.4 Ų | 61.4 | 45% | 0.446 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | 0.2 | -171.9 | 69.2 | 0 | 0 | 0 | 0 | 114.3 | C37 K42 C61 | C37-C40 VanDerWaalsContact CB-SG 3.53Å; C40-K42 PolarHBondContact O-N 3.42Å; C40-K42 VanDerWaalsContact SG-CB 3.52Å; C40-C61 PolarHBondContact SG-SG 3.02Å |
| 41 | R | 86.9 | Confident | 85.6 | Confident | 187 Ų | 187 | 62.7 Ų | 62.7 | 71% | 0.706 | 35% | 0.351 | S | S | * | . | trans | 57.1 | 7.6 | -178.2 | -61.3 | -73.6 | -70.3 | -118.8 | -6.7 | 115.3 | C37 A43 | C37-R41 WeakPolarHBondContact O-CA 3.48Å; C37-R41 PolarHBondContact O-N 2.97Å; R41-A43 PolarHBondContact O-N 3Å | ||
| 42 | K | 86.2 | Confident | 85.2 | Confident | 120 Ų | 120 | 63.8 Ų | 63.8 | 52% | 0.522 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -63 | 132.1 | 173.2 | -172.9 | 179.1 | 177.9 | -72.8 | 0 | 109.4 | H36 C37 C40 L44 | H36-K42 WeakPolarHBondContact CA-O 3.37Å; C37-K42 PolarHBondContact N-O 2.87Å; C40-K42 PolarHBondContact O-N 3.42Å; C40-K42 VanDerWaalsContact SG-CB 3.52Å; K42-L44 PolarHBondContact O-N 3.1Å |
| 43 | A | 87.9 | Confident | 84.5 | Confident | 68 Ų | 68 | 65.2 Ų | 65.2 | 56% | 0.562 | 37% | 0.365 | S | S | * | . | B | Isolated β-bridge | trans | -55.6 | 129.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | R41 | R41-A43 PolarHBondContact O-N 3Å |
| 44 | L | 86.8 | Confident | 83.9 | Confident | 9 Ų | 9 | 61.8 Ų | 61.8 | 5% | 0.047 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -96.1 | 154.5 | 178.6 | -64.6 | 178.6 | 0 | 0 | 0 | 109.2 | F35 C37 K42 V49 I56 C58 | F35-L44 HydrophobicContact CD1-CB 3.71Å; F35-L44 WeakPolarHBondContact CD1-O 3.36Å; F35-L44 HydrophobicContact CE1-CB 3.49Å; F35-L44 VanDerWaalsContact CE1-CB 3.49Å; F35-L44 HydrophobicContact CG-CB 4.5Å; F35-L44 HydrophobicContact CZ-CB 4.18Å; F35-L44 PolarHBondContact O-N 3.12Å; C37-L44 HydrophobicContact CB-CD1 4.16Å; C37-L44 HydrophobicContact CB-CD2 4.11Å; C37-L44 HydrophobicContact CB-CG 4.2Å; K42-L44 PolarHBondContact O-N 3.1Å; L44-V49 HydrophobicContact CB-CB 4.5Å; L44-V49 HydrophobicContact CD1-CB 4.21Å; L44-V49 HydrophobicContact CD1-CG2 3.89Å; L44-I56 HydrophobicContact CD1-CB 4.29Å; L44-I56 HydrophobicContact CD1-CD1 4.31Å; L44-I56 HydrophobicContact CD1-CG1 4.39Å; L44-C58 HydrophobicContact CD2-CB 3.59Å |
| 45 | D | 81.1 | Confident | 83.6 | Confident | 95 Ų | 95 | 64.9 Ų | 64.9 | 51% | 0.508 | 36% | 0.358 | S | S | . | . | trans | -112.3 | 160.1 | 170.8 | -53 | -66.6 | 0 | 0 | 0 | 108.1 | T47 T48 V49 | D45-T47 PolarHBondContact O-N 2.86Å; D45-T48 PolarHBondContact N-OG1 2.54Å; D45-T48 PolarHBondContact O-N 3.1Å; D45-V49 PolarHBondContact O-N 2.84Å | ||
| 46 | S | 74.4 | Confident | 83.5 | Confident | 104 Ų | 104 | 64.8 Ų | 64.8 | 73% | 0.727 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -25.8 | -179.9 | 52.1 | 0 | 0 | 0 | 0 | 113.4 | ||
| 47 | T | 74.8 | Confident | 83.5 | Confident | 105 Ų | 105 | 63.8 Ų | 63.8 | 64% | 0.644 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -18.5 | -178.4 | -40.2 | 0 | 0 | 0 | 0 | 114.4 | D45 K59 | D45-T47 PolarHBondContact O-N 2.86Å; T47-K59 WeakPolarHBondContact O-CE 3.24Å; T47-K59 PolarHBondContact O-NZ 3.39Å |
| 48 | T | 77.1 | Confident | 83.5 | Confident | 51 Ų | 51 | 64.5 Ų | 64.5 | 31% | 0.313 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | 4 | -169.3 | 62.8 | 0 | 0 | 0 | 0 | 114.4 | D45 K59 | D45-T48 PolarHBondContact N-OG1 2.54Å; D45-T48 PolarHBondContact O-N 3.1Å; T48-K59 PolarHBondContact O-N 3.05Å |
| 49 | V | 86.4 | Confident | 83.5 | Confident | 29 Ų | 29 | 66.5 Ų | 66.5 | 18% | 0.176 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 143.9 | 176.1 | 63.8 | 0 | 0 | 0 | 0 | 112 | F35 L44 D45 I56 | F35-V49 HydrophobicContact CE1-CB 4.32Å; F35-V49 HydrophobicContact CE2-CG2 4.24Å; F35-V49 HydrophobicContact CZ-CB 3.72Å; F35-V49 HydrophobicContact CZ-CG1 3.86Å; F35-V49 HydrophobicContact CZ-CG2 3.8Å; L44-V49 HydrophobicContact CB-CB 4.5Å; L44-V49 HydrophobicContact CD1-CB 4.21Å; L44-V49 HydrophobicContact CD1-CG2 3.89Å; D45-V49 PolarHBondContact O-N 2.84Å; V49-I56 HydrophobicContact CG2-CB 4Å; V49-I56 HydrophobicContact CG2-CG2 4.12Å |
| 50 | A | 87.9 | Confident | 83.5 | Confident | 19 Ų | 19 | 69.1 Ų | 69.1 | 16% | 0.157 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 133.6 | 163.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | Y57 Y62 | A50-Y57 PolarHBondContact N-O 2.93Å; A50-Y57 WeakPolarHBondContact O-CA 3.12Å; A50-Y57 PolarHBondContact O-N 3.34Å; A50-Y62 HydrophobicContact CB-CD1 4.1Å; A50-Y62 HydrophobicContact CB-CD2 3.69Å; A50-Y62 HydrophobicContact CB-CE2 4.37Å; A50-Y62 HydrophobicContact CB-CG 3.52Å |
| 51 | A | 84.9 | Confident | 83.5 | Confident | 33 Ų | 33 | 66.4 Ų | 66.4 | 27% | 0.273 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 137.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | N26 E55 | N26-A51 HydrophobicContact CB-CB 3.54Å; A51-E55 WeakPolarHBondContact CA-O 3.12Å |
| 52 | H | 81.9 | Confident | 83.5 | Confident | 40 Ų | 40 | 61.3 Ų | 61.3 | 19% | 0.185 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 126.7 | 173.7 | -167.2 | -89.1 | 0 | 0 | 0 | 109.4 | S54 E55 Y57 Y62 Y66 | H52-S54 PolarHBondContact O-N 3.31Å; H52-E55 PolarHBondContact N-O 2.93Å; H52-E55 PolarHBondContact O-N 3.45Å; H52-Y57 HydrophobicContact CB-CD2 4.15Å; H52-Y57 HydrophobicContact CB-CE2 4.14Å; H52-Y62 HydrophobicContact CB-CD2 4.25Å; H52-Y62 HydrophobicContact CB-CE2 3.86Å; H52-Y62 AromaticContact CD2-CE2 3.94Å; H52-Y66 HydrophobicContact CB-CD2 4.24Å; H52-Y66 HydrophobicContact CB-CE2 3.79Å; H52-Y66 AromaticContact CD2-CD1 3.71Å; H52-Y66 AromaticContact CD2-CE1 3.82Å; H52-Y66 AromaticContact CD2-CG 3.85Å; H52-Y66 AromaticContact CE1-CD1 3.71Å; H52-Y66 AromaticContact CE1-CE1 3.24Å; H52-Y66 WeakPolarHBondContact CE1-CE1 3.28Å; H52-Y66 AromaticContact CE1-CZ 3.75Å; H52-Y66 AromaticContact CG-CE1 3.71Å; H52-Y66 AromaticContact CG-CE2 3.71Å; H52-Y66 AromaticContact CG-CZ 3.51Å; H52-Y66 AromaticContact ND1-CE1 3.35Å; H52-Y66 VanDerWaalsContact ND1-CE1 3.35Å; H52-Y66 WeakPolarHBondContact ND1-CE1 3.35Å; H52-Y66 AromaticContact ND1-CZ 3.32Å; H52-Y66 VanDerWaalsContact ND1-CZ 3.32Å; H52-Y66 PolarHBondContact ND1-OH 3.16Å; H52-Y66 AromaticContact NE2-CD1 3.48Å; H52-Y66 WeakPolarHBondContact NE2-CD1 3.27Å; H52-Y66 AromaticContact NE2-CE1 3.55Å |
| 53 | E | 73.8 | Confident | 83.4 | Confident | 161 Ų | 161 | 56.3 Ų | 56.3 | 75% | 0.752 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 41.3 | 40.1 | 171.5 | -68.3 | 177.1 | 163.1 | 0 | 0 | 114.6 | ||
| 54 | S | 74.6 | Confident | 83.1 | Confident | 49 Ų | 49 | 58.4 Ų | 58.4 | 34% | 0.343 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | 6.7 | 175.4 | 96.5 | 0 | 0 | 0 | 0 | 118.1 | R28 H52 | R28-S54 VanDerWaalsContact NH1-CB 3.26Å; R28-S54 PolarHBondContact NH1-O 3.31Å; R28-S54 PolarHBondContact NH1-OG 3.14Å; R28-S54 VanDerWaalsContact NH1-OG 3.09Å; R28-S54 PolarHBondContact NH2-OG 2.99Å; H52-S54 PolarHBondContact O-N 3.31Å |
| 55 | E | 82.9 | Confident | 82.7 | Confident | 85 Ų | 85 | 63.2 Ų | 63.2 | 40% | 0.397 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 154.8 | 171.7 | -64.5 | 175.9 | 161.8 | 0 | 0 | 111.5 | M38 A51 H52 Y57 | M38-E55 HydrophobicContact CG-CB 4.34Å; A51-E55 WeakPolarHBondContact CA-O 3.12Å; H52-E55 PolarHBondContact N-O 2.93Å; H52-E55 PolarHBondContact O-N 3.45Å; E55-Y57 HydrophobicContact CB-CD2 4.42Å; E55-Y57 HydrophobicContact CB-CE2 3.67Å; E55-Y57 PolarHBondContact OE2-OH 2.9Å |
| 56 | I | 88.4 | Confident | 82.8 | Confident | 4 Ų | 4 | 62.5 Ų | 62.5 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 132.9 | 179.1 | 59.4 | 170.9 | 0 | 0 | 0 | 111.7 | C25 F30 F35 H36 M38 L44 V49 | C25-I56 HydrophobicContact CB-CG2 4.45Å; F30-I56 HydrophobicContact CD1-CD1 4.31Å; F30-I56 HydrophobicContact CE1-CD1 4.24Å; F30-I56 HydrophobicContact CE2-CG2 4.02Å; F30-I56 HydrophobicContact CZ-CD1 4.49Å; F30-I56 HydrophobicContact CZ-CG2 3.9Å; F35-I56 HydrophobicContact CD2-CD1 3.56Å; F35-I56 HydrophobicContact CE2-CD1 3.83Å; F35-I56 HydrophobicContact CG-CD1 4.31Å; H36-I56 WeakPolarHBondContact O-CD1 3.37Å; H36-I56 WeakPolarHBondContact O-CG1 3.04Å; M38-I56 PolarHBondContact N-O 3.25Å; L44-I56 HydrophobicContact CD1-CB 4.29Å; L44-I56 HydrophobicContact CD1-CD1 4.31Å; L44-I56 HydrophobicContact CD1-CG1 4.39Å; V49-I56 HydrophobicContact CG2-CB 4Å; V49-I56 HydrophobicContact CG2-CG2 4.12Å |
| 57 | Y | 89.7 | Confident | 83 | Confident | 13 Ų | 13 | 58.9 Ų | 58.9 | 5% | 0.051 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 155 | -176.7 | -68.5 | -79 | 0 | 0 | 0 | 111.4 | M38 A39 A50 H52 E55 C61 Y66 | M38-Y57 HydrophobicContact CB-CE1 4.11Å; A39-Y57 HydrophobicContact CB-CD1 4.02Å; A39-Y57 HydrophobicContact CB-CE1 4.03Å; A50-Y57 PolarHBondContact N-O 2.93Å; A50-Y57 WeakPolarHBondContact O-CA 3.12Å; A50-Y57 PolarHBondContact O-N 3.34Å; H52-Y57 HydrophobicContact CB-CD2 4.15Å; H52-Y57 HydrophobicContact CB-CE2 4.14Å; E55-Y57 HydrophobicContact CB-CD2 4.42Å; E55-Y57 HydrophobicContact CB-CE2 3.67Å; E55-Y57 PolarHBondContact OE2-OH 2.9Å; Y57-C61 HydrophobicContact CD1-CB 4.45Å; Y57-Y66 HydrophobicContact CD2-CE2 4.16Å; Y57-Y66 AromaticContact CE2-CE2 3.9Å; Y57-Y66 HydrophobicContact CE2-CE2 3.9Å |
| 58 | C | 89.8 | Confident | 83 | Confident | 15 Ų | 15 | 59.1 Ų | 59.1 | 10% | 0.101 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 146.3 | 166.9 | 89.6 | 0 | 0 | 0 | 0 | 109.9 | C37 L44 V60 C61 Y62 | C37-C58 HydrophobicContact CB-CB 4.14Å; C37-C58 PolarHBondContact SG-N 2.87Å; L44-C58 HydrophobicContact CD2-CB 3.59Å; C58-V60 PolarHBondContact O-N 2.67Å; C58-V60 VanDerWaalsContact O-N 3.1Å; C58-C61 HydrophobicContact CB-CB 4.16Å; C58-C61 WeakPolarHBondContact CB-SG 3.5Å; C58-C61 CarbonylContact O-C 3.6Å; C58-C61 WeakPolarHBondContact O-CA 3.48Å; C58-C61 WeakPolarHBondContact O-CB 3.48Å; C58-C61 PolarHBondContact O-N 2.88Å; C58-C61 WeakPolarHBondContact SG-CB 3.44Å; C58-C61 PolarHBondContact SG-N 3.35Å; C58-C61 CovalentContact SG-SG 2.08Å; C58-C61 PolarHBondContact SG-SG 2.82Å; C58-Y62 WeakPolarHBondContact O-CB 3.36Å; C58-Y62 PolarHBondContact O-N 2.83Å |
| 59 | K | 86.3 | Confident | 82.5 | Confident | 120 Ų | 120 | 65.3 Ų | 65.3 | 52% | 0.522 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -49.5 | -40.1 | 177.7 | -76.5 | -179.6 | -178.9 | 177.5 | 0 | 113.7 | T47 T48 G63 | T47-K59 WeakPolarHBondContact O-CE 3.24Å; T47-K59 PolarHBondContact O-NZ 3.39Å; T48-K59 PolarHBondContact O-N 3.05Å; K59-G63 PolarHBondContact O-N 2.8Å |
| 60 | V | 85 | Confident | 81.5 | Confident | 79 Ų | 79 | 66.3 Ų | 66.3 | 48% | 0.479 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 177.4 | -177.7 | 0 | 0 | 0 | 0 | 111.5 | C58 R64 | C58-V60 PolarHBondContact O-N 2.67Å; C58-V60 VanDerWaalsContact O-N 3.1Å; V60-R64 VanDerWaalsContact CG1-NH2 3.31Å; V60-R64 WeakPolarHBondContact O-CG 3.25Å; V60-R64 PolarHBondContact O-N 3.42Å |
| 61 | C | 86.3 | Confident | 80 | Confident | 9 Ų | 9 | 72 Ų | 72 | 6% | 0.061 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -71 | -44.6 | -178.6 | -48.4 | 0 | 0 | 0 | 0 | 110.8 | C37 A39 C40 Y57 C58 G63 R64 R65 | C37-C61 PolarHBondContact SG-SG 3Å; A39-C61 HydrophobicContact CB-CB 4.12Å; C40-C61 PolarHBondContact SG-SG 3.02Å; Y57-C61 HydrophobicContact CD1-CB 4.45Å; C58-C61 HydrophobicContact CB-CB 4.16Å; C58-C61 WeakPolarHBondContact CB-SG 3.5Å; C58-C61 CarbonylContact O-C 3.6Å; C58-C61 WeakPolarHBondContact O-CA 3.48Å; C58-C61 WeakPolarHBondContact O-CB 3.48Å; C58-C61 PolarHBondContact O-N 2.88Å; C58-C61 WeakPolarHBondContact SG-CB 3.44Å; C58-C61 PolarHBondContact SG-N 3.35Å; C58-C61 CovalentContact SG-SG 2.08Å; C58-C61 PolarHBondContact SG-SG 2.82Å; C61-G63 VanDerWaalsContact C-N 3.33Å; C61-R64 PolarHBondContact O-N 3.37Å; C61-R65 WeakPolarHBondContact O-CG 3.47Å; C61-R65 PolarHBondContact O-N 3.28Å |
| 62 | Y | 88.1 | Confident | 78.6 | Confident | 80 Ų | 80 | 71.9 Ų | 71.9 | 31% | 0.314 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.4 | -46 | 175.9 | 179.9 | -87.7 | 0 | 0 | 0 | 110.7 | A50 H52 C58 R65 Y66 | A50-Y62 HydrophobicContact CB-CD1 4.1Å; A50-Y62 HydrophobicContact CB-CD2 3.69Å; A50-Y62 HydrophobicContact CB-CE2 4.37Å; A50-Y62 HydrophobicContact CB-CG 3.52Å; H52-Y62 HydrophobicContact CB-CD2 4.25Å; H52-Y62 HydrophobicContact CB-CE2 3.86Å; H52-Y62 AromaticContact CD2-CE2 3.94Å; C58-Y62 WeakPolarHBondContact O-CB 3.36Å; C58-Y62 PolarHBondContact O-N 2.83Å; Y62-R65 PolarHBondContact O-N 3.18Å; Y62-Y66 AromaticContact CD2-CD2 3.78Å; Y62-Y66 HydrophobicContact CD2-CD2 3.78Å; Y62-Y66 HydrophobicContact CD2-CE2 4.46Å; Y62-Y66 AromaticContact CE2-CD2 3.99Å; Y62-Y66 HydrophobicContact CE2-CD2 3.99Å; Y62-Y66 HydrophobicContact CE2-CG 4.4Å; Y62-Y66 HydrophobicContact CG-CD2 4.34Å; Y62-Y66 WeakPolarHBondContact O-CB 3.43Å; Y62-Y66 PolarHBondContact O-N 3.28Å |
| 63 | G | 84.5 | Confident | 77.4 | Confident | 14 Ų | 14 | 73.1 Ų | 73.1 | 14% | 0.144 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -49.8 | -71.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | K59 C61 R65 Y66 G67 Y73 | K59-G63 PolarHBondContact O-N 2.8Å; C61-G63 VanDerWaalsContact C-N 3.33Å; G63-R65 PolarHBondContact O-N 3.36Å; G63-Y66 PolarHBondContact O-N 3.3Å; G63-Y66 VanDerWaalsContact O-N 3.16Å; G63-G67 PolarHBondContact O-N 2.88Å; G63-G67 VanDerWaalsContact O-N 3.07Å; G63-Y73 WeakPolarHBondContact O-CE1 3.47Å; G63-Y73 PolarHBondContact O-OH 2.91Å |
| 64 | R | 80.9 | Confident | 76.6 | Confident | 112 Ų | 112 | 66.5 Ų | 66.5 | 42% | 0.423 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -47.5 | -35.7 | -175.5 | -69.5 | 177.1 | -162.3 | 161.6 | 0.8 | 114.9 | V60 C61 | V60-R64 VanDerWaalsContact CG1-NH2 3.31Å; V60-R64 WeakPolarHBondContact O-CG 3.25Å; V60-R64 PolarHBondContact O-N 3.42Å; C61-R64 PolarHBondContact O-N 3.37Å |
| 65 | R | 77.4 | Confident | 75.7 | Confident | 111 Ų | 111 | 73.2 Ų | 73.2 | 42% | 0.419 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -87.2 | -39.6 | -177.2 | -62.4 | -160.2 | 80.6 | 136.4 | 8.5 | 114.6 | C61 Y62 G63 | C61-R65 WeakPolarHBondContact O-CG 3.47Å; C61-R65 PolarHBondContact O-N 3.28Å; Y62-R65 PolarHBondContact O-N 3.18Å; G63-R65 PolarHBondContact O-N 3.36Å |
| 66 | Y | 83.4 | Confident | 74.5 | Confident | 79 Ų | 79 | 71.7 Ų | 71.7 | 31% | 0.31 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -123.4 | -18.1 | -163.6 | -63.1 | -70.8 | 0 | 0 | 0 | 116.6 | H52 Y57 Y62 G63 | H52-Y66 HydrophobicContact CB-CD2 4.24Å; H52-Y66 HydrophobicContact CB-CE2 3.79Å; H52-Y66 AromaticContact CD2-CD1 3.71Å; H52-Y66 AromaticContact CD2-CE1 3.82Å; H52-Y66 AromaticContact CD2-CG 3.85Å; H52-Y66 AromaticContact CE1-CD1 3.71Å; H52-Y66 AromaticContact CE1-CE1 3.24Å; H52-Y66 WeakPolarHBondContact CE1-CE1 3.28Å; H52-Y66 AromaticContact CE1-CZ 3.75Å; H52-Y66 AromaticContact CG-CE1 3.71Å; H52-Y66 AromaticContact CG-CE2 3.71Å; H52-Y66 AromaticContact CG-CZ 3.51Å; H52-Y66 AromaticContact ND1-CE1 3.35Å; H52-Y66 VanDerWaalsContact ND1-CE1 3.35Å; H52-Y66 WeakPolarHBondContact ND1-CE1 3.35Å; H52-Y66 AromaticContact ND1-CZ 3.32Å; H52-Y66 VanDerWaalsContact ND1-CZ 3.32Å; H52-Y66 PolarHBondContact ND1-OH 3.16Å; H52-Y66 AromaticContact NE2-CD1 3.48Å; H52-Y66 WeakPolarHBondContact NE2-CD1 3.27Å; H52-Y66 AromaticContact NE2-CE1 3.55Å; Y57-Y66 HydrophobicContact CD2-CE2 4.16Å; Y57-Y66 AromaticContact CE2-CE2 3.9Å; Y57-Y66 HydrophobicContact CE2-CE2 3.9Å; Y62-Y66 AromaticContact CD2-CD2 3.78Å; Y62-Y66 HydrophobicContact CD2-CD2 3.78Å; Y62-Y66 HydrophobicContact CD2-CE2 4.46Å; Y62-Y66 AromaticContact CE2-CD2 3.99Å; Y62-Y66 HydrophobicContact CE2-CD2 3.99Å; Y62-Y66 HydrophobicContact CE2-CG 4.4Å; Y62-Y66 HydrophobicContact CG-CD2 4.34Å; Y62-Y66 WeakPolarHBondContact O-CB 3.43Å; Y62-Y66 PolarHBondContact O-N 3.28Å; G63-Y66 PolarHBondContact O-N 3.3Å; G63-Y66 VanDerWaalsContact O-N 3.16Å |
| 67 | G | 78.6 | Confident | 72.6 | Confident | 28 Ų | 28 | 77.3 Ų | 77.3 | 29% | 0.289 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -76 | -159.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | G63 K69 Y73 | G63-G67 PolarHBondContact O-N 2.88Å; G63-G67 VanDerWaalsContact O-N 3.07Å; G67-K69 PolarHBondContact O-N 2.66Å; G67-K69 VanDerWaalsContact O-N 3.09Å; G67-Y73 WeakPolarHBondContact CA-OH 3.31Å; G67-Y73 PolarHBondContact N-OH 3.49Å; G67-Y73 PolarHBondContact O-OH 3.23Å |
| 68 | P | 75.8 | Confident | 70.9 | Confident | 110 Ų | 110 | 80.5 Ų | 80.5 | 71% | 0.714 | 47% | 0.469 | S | S | * | . | trans | -63.9 | 113.9 | -179.2 | 29 | -34 | 0 | 0 | 0 | 112.3 | G70 Y73 | P68-G70 PolarHBondContact O-N 3.22Å; P68-Y73 WeakPolarHBondContact CD-OH 3.17Å; P68-Y73 WeakPolarHBondContact O-CE2 3.38Å; P68-Y73 PolarHBondContact O-OH 3.01Å | ||
| 69 | K | 66.4 | Low | 69 | Low | 182 Ų | 182 | 82.8 Ų | 82.8 | 79% | 0.791 | 48% | 0.484 | S | S | * | . | trans | -75.8 | 103.9 | 170.8 | -70.6 | 173 | 177.8 | 170.3 | 0 | 108.4 | G67 | G67-K69 PolarHBondContact O-N 2.66Å; G67-K69 VanDerWaalsContact O-N 3.09Å | ||
| 70 | G | 65.1 | Low | 67.2 | Low | 50 Ų | 50 | 83.2 Ų | 83.2 | 52% | 0.515 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -176.4 | -167.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | P68 G72 | P68-G70 PolarHBondContact O-N 3.22Å; G70-G72 PolarHBondContact O-N 2.9Å |
| 71 | I | 56.2 | Low | 65.8 | Low | 139 Ų | 139 | 82.9 Ų | 82.9 | 71% | 0.713 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -66.6 | 103.6 | 177.6 | -66.3 | -174 | 0 | 0 | 0 | 109.7 | L80 | I71-L80 HydrophobicContact CG2-CB 4.32Å; I71-L80 HydrophobicContact CG2-CD1 3.76Å; I71-L80 HydrophobicContact CG2-CD2 3.53Å; I71-L80 HydrophobicContact CG2-CG 4.06Å |
| 72 | G | 56.3 | Low | 64.3 | Low | 30 Ų | 30 | 87.2 Ų | 87.2 | 31% | 0.309 | 52% | 0.519 | S | S | . | . | trans | 105.2 | 89.4 | 162 | 0 | 0 | 0 | 0 | 0 | 116.3 | G70 G74 | G70-G72 PolarHBondContact O-N 2.9Å; G72-G74 PolarHBondContact O-N 2.78Å | ||
| 73 | Y | 55.3 | Low | 62.8 | Low | 65 Ų | 65 | 87.1 Ų | 87.1 | 26% | 0.255 | 52% | 0.524 | S | S | . | . | trans | -80.2 | 29.1 | 156.2 | -99.1 | -75.3 | 0 | 0 | 0 | 113.7 | G63 G67 P68 Q75 S81 | G63-Y73 WeakPolarHBondContact O-CE1 3.47Å; G63-Y73 PolarHBondContact O-OH 2.91Å; G67-Y73 WeakPolarHBondContact CA-OH 3.31Å; G67-Y73 PolarHBondContact N-OH 3.49Å; G67-Y73 PolarHBondContact O-OH 3.23Å; P68-Y73 WeakPolarHBondContact CD-OH 3.17Å; P68-Y73 WeakPolarHBondContact O-CE2 3.38Å; P68-Y73 PolarHBondContact O-OH 3.01Å; Y73-Q75 PolarHBondContact O-N 3Å; Y73-S81 PolarHBondContact N-O 2.97Å; Y73-S81 VanDerWaalsContact N-O 3.15Å | ||
| 74 | G | 57.3 | Low | 61.6 | Low | 22 Ų | 22 | 90.9 Ų | 90.9 | 23% | 0.227 | 55% | 0.545 | C | S | . | . | trans | -82.7 | 113.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | G72 G76 C79 | G72-G74 PolarHBondContact O-N 2.78Å; G74-G76 PolarHBondContact O-N 2.96Å; G74-C79 WeakPolarHBondContact CA-O 3.37Å; G74-C79 WeakPolarHBondContact CA-SG 3.42Å; G74-C79 PolarHBondContact N-O 3.42Å | ||
| 75 | Q | 57.4 | Low | 60.5 | Low | 191 Ų | 191 | 86.6 Ų | 86.6 | 89% | 0.893 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -70.7 | 80.8 | 163.7 | -160 | 169.1 | 16.6 | 0 | 0 | 107.5 | Y73 | Y73-Q75 PolarHBondContact O-N 3Š|
| 76 | G | 57.2 | Low | 59.5 | Low | 52 Ų | 52 | 89 Ų | 89 | 54% | 0.536 | 55% | 0.551 | S | S | . | * | S | Bend | trans | 146.5 | 147.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | G74 G78 | G74-G76 PolarHBondContact O-N 2.96Å; G76-G78 VanDerWaalsContact C-N 3.31Å; G76-G78 PolarHBondContact O-N 3.03Å |
| 77 | A | 48 | Very low | 58 | Low | 123 Ų | 123 | 93 Ų | 93 | 100% | 1.017 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | 86.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 78 | G | 53.8 | Low | 56.7 | Low | 79 Ų | 79 | 97 Ų | 97 | 81% | 0.814 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 154.2 | -7.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 118 | G76 | G76-G78 VanDerWaalsContact C-N 3.31Å; G76-G78 PolarHBondContact O-N 3.03Å |
| 79 | C | 50.4 | Low | 55.3 | Low | 63 Ų | 63 | 94.8 Ų | 94.8 | 43% | 0.426 | 58% | 0.584 | S | S | . | * | trans | -117.8 | 88.7 | 176.8 | 51.5 | 0 | 0 | 0 | 0 | 111.9 | G74 S81 | G74-C79 WeakPolarHBondContact CA-O 3.37Å; G74-C79 WeakPolarHBondContact CA-SG 3.42Å; G74-C79 PolarHBondContact N-O 3.42Å; C79-S81 VanDerWaalsContact C-N 3.29Å; C79-S81 PolarHBondContact O-N 3.03Å | ||
| 80 | L | 47.7 | Very low | 54.6 | Low | 129 Ų | 129 | 91.2 Ų | 91.2 | 68% | 0.675 | 57% | 0.573 | S | S | * | * | trans | -77.3 | 79 | 170.9 | -59.5 | -177.9 | 0 | 0 | 0 | 109.7 | I71 | I71-L80 HydrophobicContact CG2-CB 4.32Å; I71-L80 HydrophobicContact CG2-CD1 3.76Å; I71-L80 HydrophobicContact CG2-CD2 3.53Å; I71-L80 HydrophobicContact CG2-CG 4.06Å | ||
| 81 | S | 55 | Low | 53.5 | Low | 72 Ų | 72 | 97.2 Ų | 97.2 | 50% | 0.503 | 59% | 0.587 | S | S | . | * | trans | -92.6 | 117.3 | 166.8 | -80.2 | 0 | 0 | 0 | 0 | 110.1 | Y73 C79 | Y73-S81 PolarHBondContact N-O 2.97Å; Y73-S81 VanDerWaalsContact N-O 3.15Å; C79-S81 VanDerWaalsContact C-N 3.29Å; C79-S81 PolarHBondContact O-N 3.03Å | ||
| 82 | T | 56.2 | Low | 53 | Low | 100 Ų | 100 | 97.8 Ų | 97.8 | 61% | 0.613 | 59% | 0.585 | S | S | * | * | trans | -98.9 | 26.1 | 172.9 | 55.9 | 0 | 0 | 0 | 0 | 111.5 | T84 | T82-T84 PolarHBondContact O-N 2.08Å; T82-T84 VanDerWaalsContact O-N 3.13Å | ||
| 83 | D | 56.8 | Low | 52.4 | Low | 78 Ų | 78 | 104.9 Ų | 104.9 | 42% | 0.417 | 61% | 0.61 | S | S | . | * | trans | -78.1 | 101.4 | 179.1 | -172 | -107.8 | 0 | 0 | 0 | 109.4 | G85 | D83-G85 PolarHBondContact O-N 3.06Å; D83-G85 VanDerWaalsContact O-N 3.13Å; D83-G85 WeakPolarHBondContact OD1-CA 3.45Å; D83-G85 PolarHBondContact OD1-N 2.96Å | ||
| 84 | T | 58.5 | Low | 51.8 | Low | 94 Ų | 94 | 109.2 Ų | 109.2 | 58% | 0.577 | 63% | 0.633 | S | S | * | * | trans | -66.9 | 4.7 | 170.5 | 41 | 0 | 0 | 0 | 0 | 112.8 | T82 E86 | T82-T84 PolarHBondContact O-N 2.08Å; T82-T84 VanDerWaalsContact O-N 3.13Å; T84-E86 PolarHBondContact O-N 3.22Å; T84-E86 PolarHBondContact OG1-OE2 2.78Å | ||
| 85 | G | 57.9 | Low | 51.1 | Low | 21 Ų | 21 | 113.3 Ų | 113.3 | 22% | 0.216 | 66% | 0.658 | C | S | . | * | S | Bend | trans | 71.5 | 9.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | D83 H87 L88 | D83-G85 PolarHBondContact O-N 3.06Å; D83-G85 VanDerWaalsContact O-N 3.13Å; D83-G85 WeakPolarHBondContact OD1-CA 3.45Å; D83-G85 PolarHBondContact OD1-N 2.96Å; G85-H87 PolarHBondContact O-N 3.1Å; G85-L88 PolarHBondContact O-N 2.91Å |
| 86 | E | 55.5 | Low | 50.8 | Low | 163 Ų | 163 | 109.9 Ų | 109.9 | 76% | 0.762 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -65 | -23.9 | -178.7 | -70.8 | 172.5 | 123.2 | 0 | 0 | 112.4 | T84 L88 | T84-E86 PolarHBondContact O-N 3.22Å; T84-E86 PolarHBondContact OG1-OE2 2.78Å; E86-L88 VanDerWaalsContact C-N 3.29Å; E86-L88 PolarHBondContact O-N 3.26Å |
| 87 | H | 53 | Low | 49.8 | Very low | 162 Ų | 162 | 117 Ų | 117 | 75% | 0.75 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -73.5 | -11.4 | 176.2 | 165.3 | -112.9 | 0 | 0 | 0 | 114.4 | G85 | G85-H87 PolarHBondContact O-N 3.1Š|
| 88 | L | 51.8 | Low | 49.5 | Very low | 111 Ų | 111 | 117.2 Ų | 117.2 | 58% | 0.581 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -91.9 | 11.4 | -179 | -72.4 | 170.3 | 0 | 0 | 0 | 114.8 | G85 E86 L90 | G85-L88 PolarHBondContact O-N 2.91Å; E86-L88 VanDerWaalsContact C-N 3.29Å; E86-L88 PolarHBondContact O-N 3.26Å; L88-L90 PolarHBondContact O-N 3.06Å; L88-L90 VanDerWaalsContact O-N 3.12Å |
| 89 | G | 46.3 | Very low | 49.4 | Very low | 65 Ų | 65 | 117.9 Ų | 117.9 | 67% | 0.67 | 66% | 0.657 | S | S | * | * | trans | 60.8 | 27.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q91 | G89-Q91 VanDerWaalsContact C-N 3.27Å; G89-Q91 PolarHBondContact O-N 3.02Å | ||
| 90 | L | 51.3 | Low | 48.8 | Very low | 107 Ų | 107 | 126.7 Ų | 126.7 | 56% | 0.56 | 68% | 0.682 | S | S | * | * | trans | -81.8 | 76.8 | 174.9 | -63.4 | -179.8 | 0 | 0 | 0 | 109.7 | L88 F92 | L88-L90 PolarHBondContact O-N 3.06Å; L88-L90 VanDerWaalsContact O-N 3.12Å; L90-F92 PolarHBondContact O-N 3.41Å; L90-F92 VanDerWaalsContact O-N 3.1Å | ||
| 91 | Q | 41.6 | Very low | 48.8 | Very low | 175 Ų | 175 | 126.3 Ų | 126.3 | 82% | 0.818 | 69% | 0.69 | S | S | * | * | trans | -64.7 | 106.8 | 165.5 | -160.2 | 81.2 | 31.4 | 0 | 0 | 108.3 | G89 Q93 | G89-Q91 VanDerWaalsContact C-N 3.27Å; G89-Q91 PolarHBondContact O-N 3.02Å; Q91-Q93 PolarHBondContact O-N 2.89Å | ||
| 92 | F | 45.7 | Very low | 48.6 | Very low | 151 Ų | 151 | 127.3 Ų | 127.3 | 66% | 0.662 | 70% | 0.702 | S | S | * | * | trans | -72.2 | 103.1 | 171.5 | -177.6 | -112.5 | 0 | 0 | 0 | 108.8 | L90 Q94 | L90-F92 PolarHBondContact O-N 3.41Å; L90-F92 VanDerWaalsContact O-N 3.1Å; F92-Q94 HydrophobicContact CD1-CG 3.75Å; F92-Q94 HydrophobicContact CE1-CG 3.3Å; F92-Q94 HydrophobicContact CZ-CG 4.11Å; F92-Q94 PolarHBondContact O-N 3.13Å | ||
| 93 | Q | 43.1 | Very low | 47.9 | Very low | 180 Ų | 180 | 128.8 Ų | 128.8 | 84% | 0.841 | 71% | 0.711 | S | S | * | * | trans | -80.8 | 105 | 170.2 | -74.8 | -172.4 | -87.7 | 0 | 0 | 109.8 | Q91 S95 | Q91-Q93 PolarHBondContact O-N 2.89Å; Q93-S95 PolarHBondContact O-N 3.13Å | ||
| 94 | Q | 43.5 | Very low | 47.5 | Very low | 155 Ų | 155 | 130.8 Ų | 130.8 | 72% | 0.724 | 73% | 0.726 | S | S | * | * | trans | -75.9 | 99.3 | 160.9 | -74.6 | 176.8 | -38.5 | 0 | 0 | 109.7 | F92 | F92-Q94 HydrophobicContact CD1-CG 3.75Å; F92-Q94 HydrophobicContact CE1-CG 3.3Å; F92-Q94 HydrophobicContact CZ-CG 4.11Å; F92-Q94 PolarHBondContact O-N 3.13Å | ||
| 95 | S | 43.3 | Very low | 47.1 | Very low | 108 Ų | 108 | 130.8 Ų | 130.8 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | trans | 55.9 | 173 | 142.6 | 78.2 | 0 | 0 | 0 | 0 | 119.9 | Q93 | Q93-S95 PolarHBondContact O-N 3.13Š| ||
| 96 | P | 51.3 | Low | 47.3 | Very low | 119 Ų | 119 | 136.8 Ų | 136.8 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | -107.8 | 144 | -112.3 | 30.4 | -12 | 0 | 0 | 0 | 114 | |||||
| 97 | K | 34.6 | Very low | 46.9 | Very low | 202 Ų | 202 | 134.4 Ų | 134.4 | 88% | 0.878 | 76% | 0.756 | S | S | * | * | trans | -137.4 | 145.8 | 168.1 | -69.2 | -172.9 | -175.1 | 171.4 | 0 | 112 | ||||
| 98 | P | 43 | Very low | 46.8 | Very low | 127 Ų | 127 | 131.9 Ų | 131.9 | 83% | 0.825 | 76% | 0.757 | S | S | * | * | trans | -84.2 | 168 | -151.5 | 34.5 | -35.8 | 0 | 0 | 0 | 113.8 | ||||
| 99 | A | 51.1 | Low | 47.3 | Very low | 94 Ų | 94 | 135.3 Ų | 135.3 | 78% | 0.777 | 77% | 0.767 | S | S | * | * | trans | -39.5 | 137 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 100 | R | 38.5 | Very low | 47.4 | Very low | 248 Ų | 248 | 142.1 Ų | 142.1 | 94% | 0.936 | 78% | 0.779 | S | S | * | * | trans | -153.7 | 132.8 | 138.7 | -111 | -176.9 | -78.5 | -165.6 | -0.3 | 111 | ||||
| 101 | S | 46.1 | Very low | 47.7 | Very low | 121 Ų | 121 | 143.7 Ų | 143.7 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | -68.6 | 161.1 | -176.1 | -55.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 102 | A | 52.4 | Low | 48.2 | Very low | 93 Ų | 93 | 140.1 Ų | 140.1 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -46.5 | 146.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 103 | T | 39.8 | Very low | 48.9 | Very low | 131 Ų | 131 | 141.5 Ų | 141.5 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -161.9 | 119.4 | 137.9 | -8.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 104 | T | 49.3 | Very low | 49 | Very low | 119 Ų | 119 | 142 Ų | 142 | 73% | 0.73 | 80% | 0.798 | S | S | * | * | trans | 54.3 | 135.7 | 138.6 | -160.3 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 105 | S | 49.8 | Very low | 49.4 | Very low | 95 Ų | 95 | 137.3 Ų | 137.3 | 66% | 0.664 | 79% | 0.791 | S | S | * | * | trans | 72.8 | 100.9 | 146.6 | 49 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 106 | N | 62.8 | Low | 50.2 | Low | 147 Ų | 147 | 140.8 Ų | 140.8 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | trans | -39.8 | 143.1 | 144.8 | -74.1 | -18.9 | 0 | 0 | 0 | 111.7 | ||||
| 107 | P | 47.3 | Very low | 50.8 | Low | 113 Ų | 113 | 138.5 Ų | 138.5 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | -137.9 | 103.7 | 106.6 | 32.2 | -17.4 | 0 | 0 | 0 | 110.5 | K109 | P107-K109 VanDerWaalsContact C-N 3.28Å; P107-K109 PolarHBondContact O-N 2.9Å | |||
| 108 | S | 49.6 | Very low | 52.9 | Low | 108 Ų | 108 | 132.2 Ų | 132.2 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | trans | -72 | 84.3 | 170.3 | 33.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 109 | K | 62.7 | Low | 55 | Low | 184 Ų | 184 | 132.8 Ų | 132.8 | 80% | 0.8 | 75% | 0.746 | S | S | * | * | trans | -96.7 | 94.8 | 157.7 | -75.1 | 178.7 | -176.8 | 168.2 | 0 | 108.2 | P107 | P107-K109 VanDerWaalsContact C-N 3.28Å; P107-K109 PolarHBondContact O-N 2.9Å | ||
| 110 | F | 49.2 | Very low | 56.7 | Low | 208 Ų | 208 | 128.3 Ų | 128.3 | 91% | 0.912 | 71% | 0.709 | S | S | * | * | trans | -132.8 | 90 | 153.8 | -93.8 | -85.1 | 0 | 0 | 0 | 108.3 | ||||
| 111 | T | 57.4 | Low | 58.9 | Low | 140 Ų | 140 | 119.7 Ų | 119.7 | 86% | 0.859 | 69% | 0.685 | S | S | * | * | trans | -72.7 | 119.2 | 157.6 | 40.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 112 | A | 52.4 | Low | 60.7 | Low | 99 Ų | 99 | 117.6 Ų | 117.6 | 82% | 0.818 | 66% | 0.658 | S | S | * | * | trans | -155.6 | 122.5 | 148 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 113 | K | 59.1 | Low | 62.3 | Low | 180 Ų | 180 | 115.4 Ų | 115.4 | 78% | 0.783 | 64% | 0.637 | S | S | * | * | trans | -80.9 | 162.4 | -173.1 | -62.6 | 163 | 123.6 | 177.2 | 0 | 111.2 | ||||
| 114 | F | 46.8 | Very low | 64.3 | Low | 191 Ų | 191 | 111.6 Ų | 111.6 | 84% | 0.838 | 62% | 0.624 | S | S | * | * | trans | 81.1 | 66.3 | 159.9 | -57.9 | -74.9 | 0 | 0 | 0 | 118.3 | ||||
| 115 | G | 52.1 | Low | 65.9 | Low | 56 Ų | 56 | 112.9 Ų | 112.9 | 58% | 0.577 | 62% | 0.619 | S | S | * | * | -127.9 | 118.3 | 129.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | S117 | G115-S117 PolarHBondContact O-N 3.44Å; G115-S117 PolarHBondContact O-OG 2.82Å; G115-S117 VanDerWaalsContact O-OG 3.05Å | |||
| 116 | E | 58.7 | Low | 67.7 | Low | 182 Ų | 182 | 110.5 Ų | 110.5 | 85% | 0.85 | 60% | 0.603 | S | S | * | * | trans | -56.9 | 86.4 | 172 | -178.3 | 108.1 | -129.4 | 0 | 0 | 107.7 | E118 | E116-E118 VanDerWaalsContact C-N 3.27Å; E116-E118 PolarHBondContact O-N 2.62Å | ||
| 117 | S | 64.4 | Low | 68.8 | Low | 71 Ų | 71 | 104.1 Ų | 104.1 | 50% | 0.497 | 57% | 0.569 | S | S | . | * | trans | -79.2 | 91.2 | -179.6 | -55.3 | 0 | 0 | 0 | 0 | 104.7 | G115 K119 | G115-S117 PolarHBondContact O-N 3.44Å; G115-S117 PolarHBondContact O-OG 2.82Å; G115-S117 VanDerWaalsContact O-OG 3.05Å; S117-K119 WeakPolarHBondContact O-CG 3.35Å; S117-K119 PolarHBondContact O-N 2.86Å | ||
| 118 | E | 79.2 | Confident | 70.6 | Confident | 70 Ų | 70 | 106.7 Ų | 106.7 | 33% | 0.327 | 57% | 0.566 | S | S | . | * | trans | -40.9 | 108.2 | 174.1 | -70 | -69.6 | -166.6 | 0 | 0 | 110 | E116 V127 P139 | E116-E118 VanDerWaalsContact C-N 3.27Å; E116-E118 PolarHBondContact O-N 2.62Å; E118-V127 WeakPolarHBondContact O-CB 3.39Å; E118-V127 PolarHBondContact O-N 3.42Å; E118-P139 HydrophobicContact CB-CB 3.69Å; E118-P139 HydrophobicContact CB-CG 3.58Å; E118-P139 HydrophobicContact CG-CB 4.4Å; E118-P139 HydrophobicContact CG-CG 4.33Å; E118-P139 WeakPolarHBondContact OE2-CD 3.26Å; E118-P139 WeakPolarHBondContact OE2-CG 3.33Å | ||
| 119 | K | 85.8 | Confident | 72 | Confident | 139 Ų | 139 | 106.2 Ų | 106.2 | 60% | 0.604 | 57% | 0.568 | S | S | * | * | B | Isolated β-bridge | trans | -99.7 | 137 | -174.2 | -54.9 | -171.2 | -175.8 | 170.4 | 0 | 110.7 | S117 P121 | S117-K119 WeakPolarHBondContact O-CG 3.35Å; S117-K119 PolarHBondContact O-N 2.86Å; K119-P121 WeakPolarHBondContact O-CD 2.7Å |
| 120 | C | 87.9 | Confident | 72.9 | Confident | 0 Ų | 0 | 101.2 Ų | 101.2 | 0% | 0 | 56% | 0.561 | C | S | . | * | trans | -71 | 124.8 | 174.3 | 179.7 | 0 | 0 | 0 | 0 | 109.6 | R122 C123 G124 K125 V127 P139 H141 | C120-R122 PolarHBondContact O-N 3.09Å; C120-C123 VanDerWaalsContact CB-SG 3.58Å; C120-G124 VanDerWaalsContact O-CA 3.28Å; C120-G124 WeakPolarHBondContact O-CA 2.97Å; C120-G124 PolarHBondContact O-N 2.99Å; C120-K125 PolarHBondContact N-O 3.07Å; C120-V127 HydrophobicContact CB-CG2 3.58Å; C120-P139 WeakPolarHBondContact CA-O 3.03Å; C120-H141 VanDerWaalsContact CB-CE1 3.43Å; C120-H141 WeakPolarHBondContact CB-CE1 3.4Å; C120-H141 VanDerWaalsContact CB-ND1 3.27Å; C120-H141 WeakPolarHBondContact CB-ND1 3.42Å | ||
| 121 | P | 83.7 | Confident | 74.4 | Confident | 66 Ų | 66 | 95.3 Ų | 95.3 | 43% | 0.429 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -20.3 | -178.8 | 27 | -35.7 | 0 | 0 | 0 | 113.2 | K119 P139 W140 | K119-P121 WeakPolarHBondContact O-CD 2.7Å; P121-P139 VanDerWaalsContact CD-O 3.25Å; P121-P139 WeakPolarHBondContact CD-O 3.49Å; P121-W140 HydrophobicContact CB-CZ2 4.44Å; P121-W140 HydrophobicContact CG-CD2 3.88Å; P121-W140 VanDerWaalsContact CG-CE2 3.42Å; P121-W140 HydrophobicContact CG-CE3 4.17Å; P121-W140 HydrophobicContact CG-CH2 3.59Å; P121-W140 HydrophobicContact CG-CZ2 3.25Å; P121-W140 HydrophobicContact CG-CZ3 4.06Å |
| 122 | R | 84.1 | Confident | 75.6 | Confident | 77 Ų | 77 | 92.8 Ų | 92.8 | 29% | 0.291 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -36.7 | -179 | 173.3 | 164.9 | -74.8 | 174.9 | -5.6 | 114.6 | C120 W140 C144 R146 | C120-R122 PolarHBondContact O-N 3.09Å; R122-W140 HydrophobicContact CB-CE3 4.1Å; R122-W140 HydrophobicContact CB-CH2 4.38Å; R122-W140 HydrophobicContact CB-CZ3 3.53Å; R122-C144 PolarHBondContact NH1-O 3.38Å; R122-R146 PolarHBondContact NH1-O 3.03Å |
| 123 | C | 85.9 | Confident | 77.2 | Confident | 47 Ų | 47 | 89.3 Ų | 89.3 | 32% | 0.318 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | -7.7 | -177.1 | 71.3 | 0 | 0 | 0 | 0 | 113.3 | C120 K125 H141 | C120-C123 VanDerWaalsContact CB-SG 3.58Å; C123-K125 PolarHBondContact O-N 2.87Å; C123-K125 VanDerWaalsContact O-N 3.1Å; C123-H141 PolarHBondContact SG-CE1 3Å; C123-H141 PolarHBondContact SG-ND1 3.4Å |
| 124 | G | 81.9 | Confident | 78.3 | Confident | 52 Ų | 52 | 84.9 Ų | 84.9 | 54% | 0.536 | 47% | 0.465 | S | S | . | . | trans | 69.5 | -0.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | C120 | C120-G124 VanDerWaalsContact O-CA 3.28Å; C120-G124 WeakPolarHBondContact O-CA 2.97Å; C120-G124 PolarHBondContact O-N 2.99Å | ||
| 125 | K | 84.1 | Confident | 79.9 | Confident | 145 Ų | 145 | 76 Ų | 76 | 63% | 0.63 | 43% | 0.427 | S | S | * | . | trans | -86.1 | 151.9 | -178.6 | -58.5 | 173.3 | -174.1 | 176.9 | 0 | 110.8 | C120 C123 H141 | C120-K125 PolarHBondContact N-O 3.07Å; C123-K125 PolarHBondContact O-N 2.87Å; C123-K125 VanDerWaalsContact O-N 3.1Å; K125-H141 PolarHBondContact O-CE1 3.11Å | ||
| 126 | S | 86.4 | Confident | 80.9 | Confident | 45 Ų | 45 | 75 Ų | 75 | 32% | 0.315 | 42% | 0.417 | S | S | . | . | B | Isolated β-bridge | trans | -61.4 | 137.5 | 173.9 | -49.9 | 0 | 0 | 0 | 0 | 111 | H141 | S126-H141 PolarHBondContact O-NE2 2.99Å |
| 127 | V | 85.8 | Confident | 81.9 | Confident | 14 Ų | 14 | 69.7 Ų | 69.7 | 9% | 0.085 | 41% | 0.411 | C | S | . | . | trans | -99.5 | 113.4 | 177.4 | -177.2 | 0 | 0 | 0 | 0 | 108.1 | E118 C120 K132 P139 W140 | E118-V127 WeakPolarHBondContact O-CB 3.39Å; E118-V127 PolarHBondContact O-N 3.42Å; C120-V127 HydrophobicContact CB-CG2 3.58Å; V127-K132 VanDerWaalsContact CG1-CA 3.41Å; V127-K132 HydrophobicContact CG1-CB 3.75Å; V127-K132 HydrophobicContact CG1-CG 4.16Å; V127-P139 HydrophobicContact CB-CB 4.32Å; V127-P139 HydrophobicContact CG2-CB 4.29Å; V127-W140 WeakPolarHBondContact CG1-O 3.4Å | ||
| 128 | Y | 84.9 | Confident | 82.8 | Confident | 167 Ų | 167 | 71.8 Ų | 71.8 | 66% | 0.655 | 41% | 0.411 | S | S | * | . | trans | -83.9 | 154.9 | 176.2 | -63.7 | -81.6 | 0 | 0 | 0 | 110.9 | A130 E131 K132 | Y128-A130 PolarHBondContact O-N 3.45Å; Y128-E131 PolarHBondContact O-N 2.96Å; Y128-K132 PolarHBondContact O-N 2.85Å | ||
| 129 | A | 79.8 | Confident | 83.2 | Confident | 98 Ų | 98 | 68.9 Ų | 68.9 | 81% | 0.81 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -32.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | E131 | A129-E131 VanDerWaalsContact C-N 3.33Å; A129-E131 PolarHBondContact O-N 2.96Å |
| 130 | A | 81.4 | Confident | 83.3 | Confident | 78 Ų | 78 | 62.5 Ų | 62.5 | 65% | 0.645 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -30.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y128 K142 | Y128-A130 PolarHBondContact O-N 3.45Å; A130-K142 PolarHBondContact O-NZ 2.76Å |
| 131 | E | 79.9 | Confident | 83.3 | Confident | 84 Ų | 84 | 63.1 Ų | 63.1 | 39% | 0.393 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | -0 | -176.6 | -62.5 | -165.1 | 124 | 0 | 0 | 113.3 | Y128 A129 V133 H141 K142 | Y128-E131 PolarHBondContact O-N 2.96Å; A129-E131 VanDerWaalsContact C-N 3.33Å; A129-E131 PolarHBondContact O-N 2.96Å; E131-V133 PolarHBondContact O-N 3.44Å; E131-H141 WeakPolarHBondContact O-CA 3.38Å; E131-H141 IonicContact OE2-CD2 3.6Å; E131-K142 PolarHBondContact O-N 3.08Å; E131-K142 VanDerWaalsContact O-N 3.08Å |
| 132 | K | 83.3 | Confident | 83.4 | Confident | 87 Ų | 87 | 65.8 Ų | 65.8 | 38% | 0.378 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 121.3 | -178.2 | -177.3 | 177.2 | 175.7 | 173 | 0 | 111.1 | V127 Y128 M134 | V127-K132 VanDerWaalsContact CG1-CA 3.41Å; V127-K132 HydrophobicContact CG1-CB 3.75Å; V127-K132 HydrophobicContact CG1-CG 4.16Å; Y128-K132 PolarHBondContact O-N 2.85Å; K132-M134 WeakPolarHBondContact CE-SD 3.25Å |
| 133 | V | 85.8 | Confident | 83.4 | Confident | 27 Ų | 27 | 66.7 Ų | 66.7 | 16% | 0.164 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 141.1 | 162.7 | -61.6 | 0 | 0 | 0 | 0 | 109.1 | E131 W140 K142 F145 | E131-V133 PolarHBondContact O-N 3.44Å; V133-W140 HydrophobicContact CG2-CB 3.89Å; V133-W140 WeakPolarHBondContact CG2-O 3.42Å; V133-W140 PolarHBondContact N-O 2.9Å; V133-W140 PolarHBondContact O-N 3.06Å; V133-K142 HydrophobicContact CG1-CG 3.64Å; V133-F145 HydrophobicContact CG2-CB 3.69Å; V133-F145 HydrophobicContact CG2-CD1 4.39Å; V133-F145 HydrophobicContact CG2-CD2 3.48Å; V133-F145 VanDerWaalsContact CG2-CD2 3.48Å; V133-F145 HydrophobicContact CG2-CE2 4.08Å; V133-F145 HydrophobicContact CG2-CG 3.62Å |
| 134 | M | 83.3 | Confident | 83.4 | Confident | 87 Ų | 87 | 65.3 Ų | 65.3 | 43% | 0.429 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 129 | 179.1 | -64.8 | -60.9 | -67.3 | 0 | 0 | 109.4 | K132 P139 | K132-M134 WeakPolarHBondContact CE-SD 3.25Å; M134-P139 HydrophobicContact SD-CB 4.48Å |
| 135 | G | 79.4 | Confident | 83.7 | Confident | 4 Ų | 4 | 63 Ų | 63 | 4% | 0.041 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 132 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | G137 K138 W140 | G135-G137 PolarHBondContact O-N 2.91Å; G135-K138 PolarHBondContact N-O 3.24Å; G135-K138 PolarHBondContact O-N 2.87Å; G135-K138 VanDerWaalsContact O-N 3.1Å; G135-W140 PolarHBondContact O-NE1 2.81Å |
| 136 | G | 73.8 | Confident | 83.9 | Confident | 35 Ų | 35 | 62.2 Ų | 62.2 | 36% | 0.361 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58 | 33.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | K138 D161 | G136-K138 PolarHBondContact O-N 2.89Å; G136-K138 VanDerWaalsContact O-N 3.14Å; G136-D161 VanDerWaalsContact CA-OD1 3.31Å; G136-D161 WeakPolarHBondContact CA-OD1 3.49Å; G136-D161 WeakPolarHBondContact CA-OD2 3.44Å |
| 137 | G | 78.6 | Confident | 84 | Confident | 70 Ų | 70 | 60.1 Ų | 60.1 | 72% | 0.722 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | 4.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | G135 | G135-G137 PolarHBondContact O-N 2.91Š|
| 138 | K | 83.8 | Confident | 84 | Confident | 116 Ų | 116 | 61.8 Ų | 61.8 | 50% | 0.504 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 153.1 | 178.5 | -67.1 | -179.5 | -172.5 | -67.2 | 0 | 111.8 | G135 G136 | G135-K138 PolarHBondContact N-O 3.24Å; G135-K138 PolarHBondContact O-N 2.87Å; G135-K138 VanDerWaalsContact O-N 3.1Å; G136-K138 PolarHBondContact O-N 2.89Å; G136-K138 VanDerWaalsContact O-N 3.14Å |
| 139 | P | 87.3 | Confident | 84 | Confident | 8 Ų | 8 | 58.2 Ų | 58.2 | 5% | 0.052 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 138.6 | 175.3 | 36.1 | -41.7 | 0 | 0 | 0 | 111.8 | E118 C120 P121 V127 M134 | E118-P139 HydrophobicContact CB-CB 3.69Å; E118-P139 HydrophobicContact CB-CG 3.58Å; E118-P139 HydrophobicContact CG-CB 4.4Å; E118-P139 HydrophobicContact CG-CG 4.33Å; E118-P139 WeakPolarHBondContact OE2-CD 3.26Å; E118-P139 WeakPolarHBondContact OE2-CG 3.33Å; C120-P139 WeakPolarHBondContact CA-O 3.03Å; P121-P139 VanDerWaalsContact CD-O 3.25Å; P121-P139 WeakPolarHBondContact CD-O 3.49Å; V127-P139 HydrophobicContact CB-CB 4.32Å; V127-P139 HydrophobicContact CG2-CB 4.29Å; M134-P139 HydrophobicContact SD-CB 4.48Å |
| 140 | W | 88.8 | Confident | 84.3 | Confident | 6 Ų | 6 | 56.4 Ų | 56.4 | 2% | 0.023 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 156.9 | 175.6 | -62.4 | 76.9 | 0 | 0 | 0 | 110.2 | P121 R122 V127 V133 G135 C144 F145 L166 | P121-W140 HydrophobicContact CB-CZ2 4.44Å; P121-W140 HydrophobicContact CG-CD2 3.88Å; P121-W140 VanDerWaalsContact CG-CE2 3.42Å; P121-W140 HydrophobicContact CG-CE3 4.17Å; P121-W140 HydrophobicContact CG-CH2 3.59Å; P121-W140 HydrophobicContact CG-CZ2 3.25Å; P121-W140 HydrophobicContact CG-CZ3 4.06Å; R122-W140 HydrophobicContact CB-CE3 4.1Å; R122-W140 HydrophobicContact CB-CH2 4.38Å; R122-W140 HydrophobicContact CB-CZ3 3.53Å; V127-W140 WeakPolarHBondContact CG1-O 3.4Å; V133-W140 HydrophobicContact CG2-CB 3.89Å; V133-W140 WeakPolarHBondContact CG2-O 3.42Å; V133-W140 PolarHBondContact N-O 2.9Å; V133-W140 PolarHBondContact O-N 3.06Å; G135-W140 PolarHBondContact O-NE1 2.81Å; W140-C144 HydrophobicContact CE3-CB 4.46Å; W140-F145 HydrophobicContact CB-CB 4.49Å; W140-F145 HydrophobicContact CB-CD2 3.78Å; W140-F145 HydrophobicContact CD2-CD2 4.48Å; W140-F145 AromaticContact CG-CD2 3.94Å; W140-F145 HydrophobicContact CG-CD2 3.94Å; W140-L166 HydrophobicContact CD2-CD1 3.62Å; W140-L166 HydrophobicContact CD2-CG 4.31Å; W140-L166 HydrophobicContact CE3-CD1 3.72Å; W140-L166 HydrophobicContact CE3-CG 4.39Å; W140-L166 HydrophobicContact CG-CD1 4.18Å; W140-L166 HydrophobicContact CH2-CD1 3.98Å; W140-L166 HydrophobicContact CH2-CD2 4.46Å; W140-L166 HydrophobicContact CH2-CG 3.72Å; W140-L166 HydrophobicContact CZ2-CD1 3.87Å; W140-L166 HydrophobicContact CZ2-CD2 3.87Å; W140-L166 HydrophobicContact CZ2-CG 3.6Å; W140-L166 HydrophobicContact CZ3-CD1 3.87Å; W140-L166 HydrophobicContact CZ3-CG 4.08Å |
| 141 | H | 88.3 | Confident | 84.4 | Confident | 12 Ų | 12 | 54.6 Ų | 54.6 | 6% | 0.056 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 145.3 | 165.5 | -55.2 | 98.8 | 0 | 0 | 0 | 110.3 | C120 C123 K125 S126 E131 T143 C144 F145 | C120-H141 VanDerWaalsContact CB-CE1 3.43Å; C120-H141 WeakPolarHBondContact CB-CE1 3.4Å; C120-H141 VanDerWaalsContact CB-ND1 3.27Å; C120-H141 WeakPolarHBondContact CB-ND1 3.42Å; C123-H141 PolarHBondContact SG-CE1 3Å; C123-H141 PolarHBondContact SG-ND1 3.4Å; K125-H141 PolarHBondContact O-CE1 3.11Å; S126-H141 PolarHBondContact O-NE2 2.99Å; E131-H141 WeakPolarHBondContact O-CA 3.38Å; E131-H141 IonicContact OE2-CD2 3.6Å; H141-T143 PolarHBondContact O-N 3.32Å; H141-T143 VanDerWaalsContact O-N 3.11Å; H141-C144 HydrophobicContact CB-CB 4.01Å; H141-C144 CarbonylContact O-C 3.58Å; H141-C144 WeakPolarHBondContact O-CA 3.2Å; H141-C144 PolarHBondContact O-N 3.42Å; H141-F145 WeakPolarHBondContact O-CB 3.36Å; H141-F145 PolarHBondContact O-N 2.94Å |
| 142 | K | 84.6 | Confident | 84.6 | Confident | 123 Ų | 123 | 57.7 Ų | 57.7 | 54% | 0.535 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | -38.2 | 169.8 | -71 | 171.7 | 178.8 | 168.3 | 0 | 113.1 | A130 E131 V133 | A130-K142 PolarHBondContact O-NZ 2.76Å; E131-K142 PolarHBondContact O-N 3.08Å; E131-K142 VanDerWaalsContact O-N 3.08Å; V133-K142 HydrophobicContact CG1-CG 3.64Å |
| 143 | T | 85.1 | Confident | 84.7 | Confident | 96 Ų | 96 | 58.3 Ų | 58.3 | 59% | 0.589 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -30.1 | 178 | 54.7 | 0 | 0 | 0 | 0 | 113.6 | H141 | H141-T143 PolarHBondContact O-N 3.32Å; H141-T143 VanDerWaalsContact O-N 3.11Å |
| 144 | C | 85.9 | Confident | 84.4 | Confident | 18 Ų | 18 | 58.2 Ų | 58.2 | 12% | 0.122 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -18.4 | -179.9 | -66.9 | 0 | 0 | 0 | 0 | 112.6 | R122 W140 H141 R146 | R122-C144 PolarHBondContact NH1-O 3.38Å; W140-C144 HydrophobicContact CE3-CB 4.46Å; H141-C144 HydrophobicContact CB-CB 4.01Å; H141-C144 CarbonylContact O-C 3.58Å; H141-C144 WeakPolarHBondContact O-CA 3.2Å; H141-C144 PolarHBondContact O-N 3.42Å; C144-R146 PolarHBondContact O-N 3.15Å |
| 145 | F | 87.2 | Confident | 84 | Confident | 3 Ų | 3 | 60.9 Ų | 60.9 | 1% | 0.013 | 35% | 0.35 | C | S | . | . | trans | -76.9 | 69.3 | -179.1 | -158.1 | -97.7 | 0 | 0 | 0 | 111.6 | V133 W140 H141 L154 V159 L166 | V133-F145 HydrophobicContact CG2-CB 3.69Å; V133-F145 HydrophobicContact CG2-CD1 4.39Å; V133-F145 HydrophobicContact CG2-CD2 3.48Å; V133-F145 VanDerWaalsContact CG2-CD2 3.48Å; V133-F145 HydrophobicContact CG2-CE2 4.08Å; V133-F145 HydrophobicContact CG2-CG 3.62Å; W140-F145 HydrophobicContact CB-CB 4.49Å; W140-F145 HydrophobicContact CB-CD2 3.78Å; W140-F145 HydrophobicContact CD2-CD2 4.48Å; W140-F145 AromaticContact CG-CD2 3.94Å; W140-F145 HydrophobicContact CG-CD2 3.94Å; H141-F145 WeakPolarHBondContact O-CB 3.36Å; H141-F145 PolarHBondContact O-N 2.94Å; F145-L154 HydrophobicContact CD1-CB 3.65Å; F145-L154 WeakPolarHBondContact CD1-O 3.36Å; F145-L154 HydrophobicContact CE1-CB 3.62Å; F145-L154 PolarHBondContact O-N 3.07Å; F145-V159 HydrophobicContact CE1-CB 3.99Å; F145-V159 HydrophobicContact CE1-CG1 4.23Å; F145-V159 HydrophobicContact CE1-CG2 4.25Å; F145-V159 HydrophobicContact CE2-CG1 4.41Å; F145-V159 HydrophobicContact CE2-CG2 4.43Å; F145-V159 HydrophobicContact CZ-CB 3.71Å; F145-V159 HydrophobicContact CZ-CG1 3.53Å; F145-V159 HydrophobicContact CZ-CG2 3.87Å; F145-L166 HydrophobicContact CD2-CD1 3.27Å; F145-L166 HydrophobicContact CE2-CD1 3.53Å; F145-L166 HydrophobicContact CG-CD1 3.94Å; F145-L166 HydrophobicContact CZ-CD1 4.33Å | ||
| 146 | R | 88.6 | Confident | 83.6 | Confident | 128 Ų | 128 | 64.7 Ų | 64.7 | 48% | 0.483 | 38% | 0.376 | S | S | . | . | B | Isolated β-bridge | trans | -132.5 | 152 | -178 | 64.9 | -176.5 | -177.2 | 176.2 | 0.3 | 110.8 | R122 C144 A148 K152 | R122-R146 PolarHBondContact NH1-O 3.03Å; C144-R146 PolarHBondContact O-N 3.15Å; R146-A148 PolarHBondContact O-N 2.08Å; R146-K152 CarbonylContact C-O 3.53Å; R146-K152 VanDerWaalsContact CA-O 3.26Å; R146-K152 WeakPolarHBondContact CA-O 3.3Å |
| 147 | C | 88.4 | Confident | 83.2 | Confident | 2 Ų | 2 | 68.3 Ų | 68.3 | 1% | 0.014 | 39% | 0.391 | C | S | . | . | trans | -63.1 | 133.7 | 177.1 | -177.7 | 0 | 0 | 0 | 0 | 111.2 | I149 C150 G151 K152 L154 L166 C168 C171 | C147-I149 VanDerWaalsContact C-N 3.26Å; C147-I149 PolarHBondContact O-N 3.36Å; C147-I149 PolarHBondContact SG-N 3.01Å; C147-I149 VanDerWaalsContact SG-N 3.38Å; C147-C150 WeakPolarHBondContact CB-SG 3.42Å; C147-G151 VanDerWaalsContact O-CA 3.25Å; C147-G151 WeakPolarHBondContact O-CA 3.49Å; C147-G151 PolarHBondContact O-N 3.07Å; C147-K152 PolarHBondContact N-O 3.23Å; C147-L154 HydrophobicContact CB-CD1 4.14Å; C147-L154 HydrophobicContact CB-CD2 4.28Å; C147-L154 HydrophobicContact CB-CG 4.34Å; C147-L166 WeakPolarHBondContact CA-O 3.15Å; C147-C168 HydrophobicContact CB-CB 4.02Å; C147-C168 PolarHBondContact SG-N 3.39Å; C147-C168 VanDerWaalsContact SG-N 3.36Å; C147-C171 PolarHBondContact SG-SG 3.46Å | ||
| 148 | A | 85.7 | Confident | 82.8 | Confident | 48 Ų | 48 | 68.5 Ų | 68.5 | 40% | 0.397 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -29.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R146 L166 Y167 | R146-A148 PolarHBondContact O-N 2.08Å; A148-L166 PolarHBondContact N-O 3.41Å; A148-Y167 HydrophobicContact CB-CD1 4.47Å; A148-Y167 HydrophobicContact CB-CE1 4Å |
| 149 | I | 84.8 | Confident | 82.6 | Confident | 93 Ų | 93 | 64.3 Ų | 64.3 | 48% | 0.477 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -55.4 | -176.1 | -61.2 | 173.6 | 0 | 0 | 0 | 111.5 | C147 Y167 C171 N175 | C147-I149 VanDerWaalsContact C-N 3.26Å; C147-I149 PolarHBondContact O-N 3.36Å; C147-I149 PolarHBondContact SG-N 3.01Å; C147-I149 VanDerWaalsContact SG-N 3.38Å; I149-Y167 HydrophobicContact CD1-CD1 3.61Å; I149-Y167 HydrophobicContact CD1-CE1 3.74Å; I149-Y167 HydrophobicContact CG1-CD1 3.83Å; I149-Y167 HydrophobicContact CG1-CE1 3.78Å; I149-C171 HydrophobicContact CB-CB 4.28Å; I149-C171 HydrophobicContact CD1-CB 4.01Å; I149-N175 HydrophobicContact CD1-CB 4.2Å |
| 150 | C | 86.6 | Confident | 82.3 | Confident | 59 Ų | 59 | 65.6 Ų | 65.6 | 40% | 0.399 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -3.9 | -172.2 | 70 | 0 | 0 | 0 | 0 | 114.3 | C147 K152 C171 | C147-C150 WeakPolarHBondContact CB-SG 3.42Å; C150-K152 PolarHBondContact O-N 2.85Å; C150-C171 PolarHBondContact SG-SG 3.05Å |
| 151 | G | 83.9 | Confident | 82.1 | Confident | 41 Ų | 41 | 69 Ų | 69 | 42% | 0.423 | 39% | 0.386 | S | S | . | . | trans | 67.9 | -2.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | C147 S153 | C147-G151 VanDerWaalsContact O-CA 3.25Å; C147-G151 WeakPolarHBondContact O-CA 3.49Å; C147-G151 PolarHBondContact O-N 3.07Å; G151-S153 PolarHBondContact O-N 3.38Å | ||
| 152 | K | 83.6 | Confident | 81.6 | Confident | 149 Ų | 149 | 71.6 Ų | 71.6 | 65% | 0.648 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 132.5 | 178 | -73.1 | -173.4 | 179.8 | -168.8 | 0 | 110.5 | R146 C147 C150 L154 | R146-K152 CarbonylContact C-O 3.53Å; R146-K152 VanDerWaalsContact CA-O 3.26Å; R146-K152 WeakPolarHBondContact CA-O 3.3Å; C147-K152 PolarHBondContact N-O 3.23Å; C150-K152 PolarHBondContact O-N 2.85Å; K152-L154 PolarHBondContact O-N 3.3Å |
| 153 | S | 84.3 | Confident | 81 | Confident | 99 Ų | 99 | 72.8 Ų | 72.8 | 69% | 0.692 | 41% | 0.409 | S | S | * | . | B | Isolated β-bridge | trans | -56.7 | 129.6 | 167.6 | -53.3 | 0 | 0 | 0 | 0 | 109.1 | G151 | G151-S153 PolarHBondContact O-N 3.38Å |
| 154 | L | 81.1 | Confident | 80.5 | Confident | 25 Ų | 25 | 70.1 Ų | 70.1 | 13% | 0.131 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -97 | 157 | 178.3 | -59.8 | 175.3 | 0 | 0 | 0 | 108.7 | F145 C147 K152 V159 L166 C168 | F145-L154 HydrophobicContact CD1-CB 3.65Å; F145-L154 WeakPolarHBondContact CD1-O 3.36Å; F145-L154 HydrophobicContact CE1-CB 3.62Å; F145-L154 PolarHBondContact O-N 3.07Å; C147-L154 HydrophobicContact CB-CD1 4.14Å; C147-L154 HydrophobicContact CB-CD2 4.28Å; C147-L154 HydrophobicContact CB-CG 4.34Å; K152-L154 PolarHBondContact O-N 3.3Å; L154-V159 HydrophobicContact CD1-CB 4.36Å; L154-V159 HydrophobicContact CD1-CG2 3.76Å; L154-L166 HydrophobicContact CD1-CB 4.15Å; L154-C168 HydrophobicContact CD2-CB 3.53Å |
| 155 | E | 75 | Confident | 80.3 | Confident | 144 Ų | 144 | 73.6 Ų | 73.6 | 67% | 0.673 | 42% | 0.416 | S | S | * | . | trans | -105.7 | 152 | 168 | -84.2 | 175.5 | 177.9 | 0 | 0 | 109.1 | T157 N158 | E155-T157 PolarHBondContact O-N 3.14Å; E155-N158 PolarHBondContact O-N 3.1Å | ||
| 156 | S | 69.3 | Low | 80.3 | Confident | 84 Ų | 84 | 73.4 Ų | 73.4 | 59% | 0.587 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | -27.3 | -178.2 | 37.3 | 0 | 0 | 0 | 0 | 113.5 | ||
| 157 | T | 67 | Low | 80.2 | Confident | 111 Ų | 111 | 68.4 Ų | 68.4 | 68% | 0.681 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -19.3 | -177.5 | -41.6 | 0 | 0 | 0 | 0 | 114.2 | E155 | E155-T157 PolarHBondContact O-N 3.14Š|
| 158 | N | 69.1 | Low | 80.2 | Confident | 73 Ų | 73 | 69 Ų | 69 | 39% | 0.39 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -132.3 | 34.1 | -169.3 | -73.3 | -66.3 | 0 | 0 | 0 | 114 | E155 K169 | E155-N158 PolarHBondContact O-N 3.1Å; N158-K169 HydrophobicContact CB-CD 4.46Å; N158-K169 VanDerWaalsContact OD1-CE 3.3Å; N158-K169 WeakPolarHBondContact OD1-CE 3.27Å; N158-K169 PolarHBondContact OD1-NZ 2.79Å |
| 159 | V | 79.1 | Confident | 80.1 | Confident | 29 Ų | 29 | 72.2 Ų | 72.2 | 18% | 0.176 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 146.8 | 176.9 | 66.7 | 0 | 0 | 0 | 0 | 111.3 | F145 L154 L166 | F145-V159 HydrophobicContact CE1-CB 3.99Å; F145-V159 HydrophobicContact CE1-CG1 4.23Å; F145-V159 HydrophobicContact CE1-CG2 4.25Å; F145-V159 HydrophobicContact CE2-CG1 4.41Å; F145-V159 HydrophobicContact CE2-CG2 4.43Å; F145-V159 HydrophobicContact CZ-CB 3.71Å; F145-V159 HydrophobicContact CZ-CG1 3.53Å; F145-V159 HydrophobicContact CZ-CG2 3.87Å; L154-V159 HydrophobicContact CD1-CB 4.36Å; L154-V159 HydrophobicContact CD1-CG2 3.76Å; V159-L166 HydrophobicContact CG2-CB 3.91Å; V159-L166 HydrophobicContact CG2-CD1 4.31Å; V159-L166 HydrophobicContact CG2-CD2 3.71Å; V159-L166 HydrophobicContact CG2-CG 4.17Å |
| 160 | T | 82 | Confident | 80.1 | Confident | 34 Ų | 34 | 72.2 Ų | 72.2 | 21% | 0.209 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 125.9 | 166.7 | -50.5 | 0 | 0 | 0 | 0 | 108 | Y167 Y172 | T160-Y167 PolarHBondContact N-O 3.07Å; T160-Y167 VanDerWaalsContact N-O 3.07Å; T160-Y167 PolarHBondContact O-N 3.22Å; T160-Y172 HydrophobicContact CG2-CD1 3.98Å; T160-Y172 HydrophobicContact CG2-CD2 3.95Å; T160-Y172 HydrophobicContact CG2-CE1 3.99Å; T160-Y172 HydrophobicContact CG2-CE2 4.04Å; T160-Y172 HydrophobicContact CG2-CG 3.94Å |
| 161 | D | 83.8 | Confident | 80 | Confident | 79 Ų | 79 | 69.9 Ų | 69.9 | 42% | 0.422 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 135.2 | 172.5 | 63.6 | -67.7 | 0 | 0 | 0 | 110.7 | G136 E165 L166 | G136-D161 VanDerWaalsContact CA-OD1 3.31Å; G136-D161 WeakPolarHBondContact CA-OD1 3.49Å; G136-D161 WeakPolarHBondContact CA-OD2 3.44Å; D161-E165 WeakPolarHBondContact CA-O 3.38Å; D161-L166 HydrophobicContact CB-CD2 4.04Å |
| 162 | K | 77.8 | Confident | 80.2 | Confident | 65 Ų | 65 | 70.9 Ų | 70.9 | 28% | 0.283 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 131.2 | 169.6 | -66.5 | -82.5 | -81.9 | -139.6 | 0 | 107.6 | G164 E165 Y167 Y172 | K162-G164 PolarHBondContact O-N 2.99Å; K162-E165 PolarHBondContact N-O 3.48Å; K162-E165 PolarHBondContact O-N 3.2Å; K162-Y167 HydrophobicContact CB-CD2 4.15Å; K162-Y167 HydrophobicContact CB-CE2 3.9Å; K162-Y167 HydrophobicContact CG-CD2 4.45Å; K162-Y172 HydrophobicContact CD-CE2 3.48Å; K162-Y172 VanDerWaalsContact CD-CE2 3.48Å; K162-Y172 HydrophobicContact CG-CD2 3.9Å; K162-Y172 HydrophobicContact CG-CE2 3.32Å; K162-Y172 PolarHBondContact NZ-OH 3.37Å |
| 163 | D | 73.5 | Confident | 80.2 | Confident | 148 Ų | 148 | 66.7 Ų | 66.7 | 79% | 0.791 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 26.6 | 173.9 | -55.5 | -62.8 | 0 | 0 | 0 | 114.7 | ||
| 164 | G | 74.6 | Confident | 80.2 | Confident | 40 Ų | 40 | 70.3 Ų | 70.3 | 41% | 0.412 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87 | 5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115 | K162 | K162-G164 PolarHBondContact O-N 2.99Š|
| 165 | E | 80.8 | Confident | 80.2 | Confident | 91 Ų | 91 | 74 Ų | 74 | 43% | 0.425 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 146.7 | 179 | -72.4 | 164.1 | 123.6 | 0 | 0 | 112.1 | D161 K162 Y167 | D161-E165 WeakPolarHBondContact CA-O 3.38Å; K162-E165 PolarHBondContact N-O 3.48Å; K162-E165 PolarHBondContact O-N 3.2Å; E165-Y167 HydrophobicContact CB-CE2 3.76Å; E165-Y167 WeakPolarHBondContact O-CD2 3.33Å; E165-Y167 WeakPolarHBondContact O-CE2 3.31Å |
| 166 | L | 86.5 | Confident | 80.5 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 130.3 | -176.5 | -57.1 | 179.8 | 0 | 0 | 0 | 111.2 | W140 F145 C147 A148 L154 V159 D161 | W140-L166 HydrophobicContact CD2-CD1 3.62Å; W140-L166 HydrophobicContact CD2-CG 4.31Å; W140-L166 HydrophobicContact CE3-CD1 3.72Å; W140-L166 HydrophobicContact CE3-CG 4.39Å; W140-L166 HydrophobicContact CG-CD1 4.18Å; W140-L166 HydrophobicContact CH2-CD1 3.98Å; W140-L166 HydrophobicContact CH2-CD2 4.46Å; W140-L166 HydrophobicContact CH2-CG 3.72Å; W140-L166 HydrophobicContact CZ2-CD1 3.87Å; W140-L166 HydrophobicContact CZ2-CD2 3.87Å; W140-L166 HydrophobicContact CZ2-CG 3.6Å; W140-L166 HydrophobicContact CZ3-CD1 3.87Å; W140-L166 HydrophobicContact CZ3-CG 4.08Å; F145-L166 HydrophobicContact CD2-CD1 3.27Å; F145-L166 HydrophobicContact CE2-CD1 3.53Å; F145-L166 HydrophobicContact CG-CD1 3.94Å; F145-L166 HydrophobicContact CZ-CD1 4.33Å; C147-L166 WeakPolarHBondContact CA-O 3.15Å; A148-L166 PolarHBondContact N-O 3.41Å; L154-L166 HydrophobicContact CD1-CB 4.15Å; V159-L166 HydrophobicContact CG2-CB 3.91Å; V159-L166 HydrophobicContact CG2-CD1 4.31Å; V159-L166 HydrophobicContact CG2-CD2 3.71Å; V159-L166 HydrophobicContact CG2-CG 4.17Å; D161-L166 HydrophobicContact CB-CD2 4.04Å |
| 167 | Y | 86.8 | Confident | 80.8 | Confident | 22 Ų | 22 | 67.5 Ų | 67.5 | 9% | 0.086 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 147 | 178.7 | -59 | -84.4 | 0 | 0 | 0 | 111.6 | A148 I149 T160 K162 E165 F176 | A148-Y167 HydrophobicContact CB-CD1 4.47Å; A148-Y167 HydrophobicContact CB-CE1 4Å; I149-Y167 HydrophobicContact CD1-CD1 3.61Å; I149-Y167 HydrophobicContact CD1-CE1 3.74Å; I149-Y167 HydrophobicContact CG1-CD1 3.83Å; I149-Y167 HydrophobicContact CG1-CE1 3.78Å; T160-Y167 PolarHBondContact N-O 3.07Å; T160-Y167 VanDerWaalsContact N-O 3.07Å; T160-Y167 PolarHBondContact O-N 3.22Å; K162-Y167 HydrophobicContact CB-CD2 4.15Å; K162-Y167 HydrophobicContact CB-CE2 3.9Å; K162-Y167 HydrophobicContact CG-CD2 4.45Å; E165-Y167 HydrophobicContact CB-CE2 3.76Å; E165-Y167 WeakPolarHBondContact O-CD2 3.33Å; E165-Y167 WeakPolarHBondContact O-CE2 3.31Å; Y167-F176 HydrophobicContact CD1-CE2 4.18Å; Y167-F176 HydrophobicContact CD2-CE2 4.46Å; Y167-F176 HydrophobicContact CE1-CE2 4Å; Y167-F176 HydrophobicContact CE1-CZ 4.41Å; Y167-F176 HydrophobicContact CE2-CE2 4.31Å; Y167-F176 HydrophobicContact CG-CE2 4.39Å |
| 168 | C | 88 | Confident | 81.1 | Confident | 15 Ų | 15 | 68.5 Ų | 68.5 | 10% | 0.101 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 144.8 | 170 | 92 | 0 | 0 | 0 | 0 | 109.3 | C147 L154 V170 C171 Y172 | C147-C168 HydrophobicContact CB-CB 4.02Å; C147-C168 PolarHBondContact SG-N 3.39Å; C147-C168 VanDerWaalsContact SG-N 3.36Å; L154-C168 HydrophobicContact CD2-CB 3.53Å; C168-V170 PolarHBondContact O-N 3.42Å; C168-V170 VanDerWaalsContact O-N 3.09Å; C168-C171 HydrophobicContact CB-CB 4.14Å; C168-C171 WeakPolarHBondContact CB-SG 3.4Å; C168-C171 CarbonylContact O-C 3.59Å; C168-C171 WeakPolarHBondContact O-CA 3.27Å; C168-C171 WeakPolarHBondContact O-CB 3.16Å; C168-C171 PolarHBondContact O-N 3.03Å; C168-C171 WeakPolarHBondContact SG-CB 3.33Å; C168-C171 PolarHBondContact SG-N 3.45Å; C168-C171 CovalentContact SG-SG 2.08Å; C168-C171 PolarHBondContact SG-SG 2.89Å; C168-Y172 WeakPolarHBondContact O-CB 3.25Å; C168-Y172 PolarHBondContact O-N 2.9Å |
| 169 | K | 84 | Confident | 80.8 | Confident | 115 Ų | 115 | 71.9 Ų | 71.9 | 50% | 0.5 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -49 | -40.9 | 178 | -74.7 | -179.2 | 173.9 | 174.3 | 0 | 113.3 | N158 Y172 A173 | N158-K169 HydrophobicContact CB-CD 4.46Å; N158-K169 VanDerWaalsContact OD1-CE 3.3Å; N158-K169 WeakPolarHBondContact OD1-CE 3.27Å; N158-K169 PolarHBondContact OD1-NZ 2.79Å; K169-Y172 PolarHBondContact O-N 3.49Å; K169-A173 WeakPolarHBondContact O-CB 3.18Å; K169-A173 PolarHBondContact O-N 2.78Å |
| 170 | V | 85.5 | Confident | 79.5 | Confident | 93 Ų | 93 | 73.1 Ų | 73.1 | 56% | 0.564 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -63.9 | -44.5 | 177.6 | 177.1 | 0 | 0 | 0 | 0 | 111.5 | C168 K174 | C168-V170 PolarHBondContact O-N 3.42Å; C168-V170 VanDerWaalsContact O-N 3.09Å; V170-K174 HydrophobicContact CG1-CD 4.21Å; V170-K174 WeakPolarHBondContact O-CB 3.39Å; V170-K174 VanDerWaalsContact O-CG 3.22Å; V170-K174 WeakPolarHBondContact O-CG 3.38Å; V170-K174 PolarHBondContact O-N 3.03Å |
| 171 | C | 85.1 | Confident | 78.1 | Confident | 11 Ų | 11 | 80.2 Ų | 80.2 | 7% | 0.074 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -71.4 | -39.2 | -178.2 | -47.4 | 0 | 0 | 0 | 0 | 110.4 | C147 I149 C150 C168 K174 N175 | C147-C171 PolarHBondContact SG-SG 3.46Å; I149-C171 HydrophobicContact CB-CB 4.28Å; I149-C171 HydrophobicContact CD1-CB 4.01Å; C150-C171 PolarHBondContact SG-SG 3.05Å; C168-C171 HydrophobicContact CB-CB 4.14Å; C168-C171 WeakPolarHBondContact CB-SG 3.4Å; C168-C171 CarbonylContact O-C 3.59Å; C168-C171 WeakPolarHBondContact O-CA 3.27Å; C168-C171 WeakPolarHBondContact O-CB 3.16Å; C168-C171 PolarHBondContact O-N 3.03Å; C168-C171 WeakPolarHBondContact SG-CB 3.33Å; C168-C171 PolarHBondContact SG-N 3.45Å; C168-C171 CovalentContact SG-SG 2.08Å; C168-C171 PolarHBondContact SG-SG 2.89Å; C171-K174 PolarHBondContact O-N 2.92Å; C171-N175 WeakPolarHBondContact O-CB 3.48Å; C171-N175 PolarHBondContact O-N 3Å |
| 172 | Y | 86.8 | Confident | 76.2 | Confident | 62 Ų | 62 | 79.9 Ų | 79.9 | 24% | 0.243 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -64.1 | -48.3 | 176.4 | -176.8 | -106.1 | 0 | 0 | 0 | 111 | T160 K162 C168 K169 K174 N175 F176 G177 | T160-Y172 HydrophobicContact CG2-CD1 3.98Å; T160-Y172 HydrophobicContact CG2-CD2 3.95Å; T160-Y172 HydrophobicContact CG2-CE1 3.99Å; T160-Y172 HydrophobicContact CG2-CE2 4.04Å; T160-Y172 HydrophobicContact CG2-CG 3.94Å; K162-Y172 HydrophobicContact CD-CE2 3.48Å; K162-Y172 VanDerWaalsContact CD-CE2 3.48Å; K162-Y172 HydrophobicContact CG-CD2 3.9Å; K162-Y172 HydrophobicContact CG-CE2 3.32Å; K162-Y172 PolarHBondContact NZ-OH 3.37Å; C168-Y172 WeakPolarHBondContact O-CB 3.25Å; C168-Y172 PolarHBondContact O-N 2.9Å; K169-Y172 PolarHBondContact O-N 3.49Å; Y172-K174 PolarHBondContact O-N 3.09Å; Y172-N175 PolarHBondContact O-N 2.96Å; Y172-F176 HydrophobicContact CD2-CB 3.91Å; Y172-F176 AromaticContact CD2-CD2 3.61Å; Y172-F176 HydrophobicContact CD2-CD2 3.61Å; Y172-F176 HydrophobicContact CD2-CE2 4.46Å; Y172-F176 HydrophobicContact CD2-CG 4.09Å; Y172-F176 HydrophobicContact CE2-CB 3.59Å; Y172-F176 AromaticContact CE2-CD2 3.95Å; Y172-F176 HydrophobicContact CE2-CD2 3.95Å; Y172-F176 AromaticContact CE2-CG 3.97Å; Y172-F176 HydrophobicContact CE2-CG 3.97Å; Y172-F176 CarbonylContact O-C 3.45Å; Y172-F176 WeakPolarHBondContact O-CA 3.33Å; Y172-F176 WeakPolarHBondContact O-CB 3.3Å; Y172-F176 PolarHBondContact O-N 2.83Å; Y172-G177 PolarHBondContact O-N 2.88Å |
| 173 | A | 84.8 | Confident | 74.7 | Confident | 61 Ų | 61 | 87.4 Ų | 87.4 | 50% | 0.504 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.4 | -38.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | K169 G177 | K169-A173 WeakPolarHBondContact O-CB 3.18Å; K169-A173 PolarHBondContact O-N 2.78Å; A173-G177 VanDerWaalsContact O-CA 3.25Å; A173-G177 WeakPolarHBondContact O-CA 3.22Å; A173-G177 PolarHBondContact O-N 3.2Å |
| 174 | K | 83.4 | Confident | 73.4 | Confident | 174 Ų | 174 | 84.4 Ų | 84.4 | 76% | 0.757 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.9 | -37.8 | 178.5 | -76.6 | 178.4 | 179.5 | -167.2 | 0 | 113.6 | V170 C171 Y172 | V170-K174 HydrophobicContact CG1-CD 4.21Å; V170-K174 WeakPolarHBondContact O-CB 3.39Å; V170-K174 VanDerWaalsContact O-CG 3.22Å; V170-K174 WeakPolarHBondContact O-CG 3.38Å; V170-K174 PolarHBondContact O-N 3.03Å; C171-K174 PolarHBondContact O-N 2.92Å; Y172-K174 PolarHBondContact O-N 3.09Å |
| 175 | N | 80.9 | Confident | 72 | Confident | 104 Ų | 104 | 85.6 Ų | 85.6 | 56% | 0.556 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -102.9 | -23.7 | -171.6 | -159.6 | 88.5 | 0 | 0 | 0 | 113.7 | I149 C171 Y172 | I149-N175 HydrophobicContact CD1-CB 4.2Å; C171-N175 WeakPolarHBondContact O-CB 3.48Å; C171-N175 PolarHBondContact O-N 3Å; Y172-N175 PolarHBondContact O-N 2.96Å |
| 176 | F | 81 | Confident | 70.4 | Confident | 72 Ų | 72 | 88.5 Ų | 88.5 | 32% | 0.316 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -134.9 | 5.3 | -174.3 | -51.7 | -81 | 0 | 0 | 0 | 113.2 | Y167 Y172 | Y167-F176 HydrophobicContact CD1-CE2 4.18Å; Y167-F176 HydrophobicContact CD2-CE2 4.46Å; Y167-F176 HydrophobicContact CE1-CE2 4Å; Y167-F176 HydrophobicContact CE1-CZ 4.41Å; Y167-F176 HydrophobicContact CE2-CE2 4.31Å; Y167-F176 HydrophobicContact CG-CE2 4.39Å; Y172-F176 HydrophobicContact CD2-CB 3.91Å; Y172-F176 AromaticContact CD2-CD2 3.61Å; Y172-F176 HydrophobicContact CD2-CD2 3.61Å; Y172-F176 HydrophobicContact CD2-CE2 4.46Å; Y172-F176 HydrophobicContact CD2-CG 4.09Å; Y172-F176 HydrophobicContact CE2-CB 3.59Å; Y172-F176 AromaticContact CE2-CD2 3.95Å; Y172-F176 HydrophobicContact CE2-CD2 3.95Å; Y172-F176 AromaticContact CE2-CG 3.97Å; Y172-F176 HydrophobicContact CE2-CG 3.97Å; Y172-F176 CarbonylContact O-C 3.45Å; Y172-F176 WeakPolarHBondContact O-CA 3.33Å; Y172-F176 WeakPolarHBondContact O-CB 3.3Å; Y172-F176 PolarHBondContact O-N 2.83Å |
| 177 | G | 75.9 | Confident | 68.6 | Low | 19 Ų | 19 | 94 Ų | 94 | 20% | 0.196 | 57% | 0.567 | C | S | . | * | S | Bend | trans | -70 | 159.4 | 170 | 0 | 0 | 0 | 0 | 0 | 111 | Y172 A173 T179 | Y172-G177 PolarHBondContact O-N 2.88Å; A173-G177 VanDerWaalsContact O-CA 3.25Å; A173-G177 WeakPolarHBondContact O-CA 3.22Å; A173-G177 PolarHBondContact O-N 3.2Å; G177-T179 PolarHBondContact O-N 2.97Å |
| 178 | P | 73.1 | Confident | 66.6 | Low | 131 Ų | 131 | 101 Ų | 101 | 85% | 0.851 | 60% | 0.601 | S | S | * | * | trans | -57.6 | 111 | 177.2 | 23.7 | -32.4 | 0 | 0 | 0 | 110 | G180 | P178-G180 PolarHBondContact O-N 2.74Š| ||
| 179 | T | 63.4 | Low | 64.4 | Low | 144 Ų | 144 | 108.6 Ų | 108.6 | 88% | 0.883 | 63% | 0.634 | S | S | * | * | trans | -82 | 89.5 | 174.3 | 48.6 | 0 | 0 | 0 | 0 | 109 | G177 | G177-T179 PolarHBondContact O-N 2.97Š| ||
| 180 | G | 52.4 | Low | 62.9 | Low | 56 Ų | 56 | 109.3 Ų | 109.3 | 58% | 0.577 | 65% | 0.648 | S | S | * | * | trans | 154.2 | 129 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | P178 | P178-G180 PolarHBondContact O-N 2.74Š| ||
| 181 | I | 52.3 | Low | 61.2 | Low | 182 Ų | 182 | 113.3 Ų | 113.3 | 93% | 0.933 | 66% | 0.661 | S | S | * | * | S | Bend | cis | -145.1 | 137.5 | 17 | -79.1 | 103.6 | 0 | 0 | 0 | 107.7 | ||
| 182 | G | 44.4 | Very low | 59.5 | Low | 72 Ų | 72 | 122.7 Ų | 122.7 | 74% | 0.742 | 70% | 0.7 | S | S | * | * | trans | 150.9 | 69.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 183 | F | 46.6 | Very low | 58 | Low | 224 Ų | 224 | 129.6 Ų | 129.6 | 98% | 0.982 | 73% | 0.731 | S | S | * | * | trans | -67.4 | 131 | 177.4 | -100.3 | -98.1 | 0 | 0 | 0 | 112.3 | ||||
| 184 | G | 46.1 | Very low | 56.5 | Low | 84 Ų | 84 | 139.1 Ų | 139.1 | 87% | 0.866 | 77% | 0.765 | S | S | * | * | trans | -165 | 75.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 185 | G | 45.6 | Very low | 55.1 | Low | 65 Ų | 65 | 137.4 Ų | 137.4 | 67% | 0.67 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 117.3 | 95.5 | 157.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||
| 186 | L | 46.8 | Very low | 53.8 | Low | 153 Ų | 153 | 139.1 Ų | 139.1 | 80% | 0.801 | 78% | 0.777 | S | S | * | * | trans | 47.9 | 115.3 | 140 | -82.5 | 84.6 | 0 | 0 | 0 | 123.7 | ||||
| 187 | T | 48.7 | Very low | 52.3 | Low | 116 Ų | 116 | 142.8 Ų | 142.8 | 71% | 0.712 | 80% | 0.803 | S | S | * | * | 56 | 120 | 127.6 | 69.6 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 188 | H | 43.3 | Very low | 50.9 | Low | 169 Ų | 169 | 150.1 Ų | 150.1 | 78% | 0.782 | 84% | 0.838 | S | S | * | * | -165.8 | 114.4 | 96.4 | -145.9 | -90.3 | 0 | 0 | 0 | 109.4 | |||||
| 189 | Q | 43 | Very low | 49.5 | Very low | 173 Ų | 173 | 151.3 Ų | 151.3 | 81% | 0.808 | 84% | 0.837 | S | S | * | * | trans | -73.3 | 129.7 | 165.4 | -67.5 | 176.8 | -10.4 | 0 | 0 | 107.2 | ||||
| 190 | V | 52.9 | Low | 48.6 | Very low | 131 Ų | 131 | 151.8 Ų | 151.8 | 79% | 0.794 | 83% | 0.834 | S | S | * | * | trans | -105.4 | 105.6 | 163.4 | 176.5 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 191 | E | 49.8 | Very low | 48.3 | Very low | 177 Ų | 177 | 158.6 Ų | 158.6 | 83% | 0.827 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 126.9 | 174.9 | -124.9 | 155.1 | 87.6 | 0 | 0 | 110.2 | ||
| 192 | K | 49.1 | Very low | 48 | Very low | 208 Ų | 208 | 156.8 Ų | 156.8 | 90% | 0.904 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 123.1 | 165.8 | -78.5 | -179.6 | 175.3 | 179.2 | 0 | 107.7 | ||
| 193 | K | 54.8 | Low | 48.3 | Very low | 206 Ų | 206 | 163.9 Ų | 163.9 | 90% | 0.896 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 123.2 | 170.2 | -152.1 | 174.5 | -174 | 177.9 | 0 | 108.4 | ||
| 194 | E | 52.5 | Low | 48.4 | Very low | 261 Ų | 261 | 158.5 Ų | 158.5 | 100% | 1.22 | 84% | 0.844 | S | S | * | * | trans | -69.7 | 0 | 170.4 | -60.3 | 179.3 | 119.4 | 0 | 0 | 111.7 |
Retrieved 194 of 194 residues in 260.8 ms
(Link to these results)