| 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 | 53.3 | Low | 77 | Confident | 220 Ų | 220 | 108.6 Ų | 108.6 | 100% | 1.084 | 58% | 0.58 | S | S | * | * | 0 | 97.1 | 0 | -171.2 | 168.1 | -170.4 | 0 | 0 | 105.7 | |||||
| 2 | E | 68.9 | Low | 78.1 | Confident | 191 Ų | 191 | 102.3 Ų | 102.3 | 89% | 0.893 | 54% | 0.544 | S | S | * | . | trans | -90.1 | 115.3 | -172.1 | -65.8 | 168.4 | 144.6 | 0 | 0 | 107.6 | ||||
| 3 | F | 62.6 | Low | 78.8 | Confident | 167 Ų | 167 | 103.3 Ų | 103.3 | 73% | 0.732 | 56% | 0.56 | S | S | * | * | trans | -74.2 | 128.4 | 166.1 | -78.1 | -95.9 | 0 | 0 | 0 | 107.2 | ||||
| 4 | P | 71.6 | Confident | 79.6 | Confident | 96 Ų | 96 | 102.9 Ų | 102.9 | 62% | 0.623 | 57% | 0.568 | S | S | * | * | trans | -61.7 | 155.1 | 172.2 | 28.2 | -34.3 | 0 | 0 | 0 | 109.7 | L6 | P4-L6 HydrophobicContact CG-CD2 4.37Å; P4-L6 HydrophobicContact CG-CG 4.49Å; P4-L6 WeakPolarHBondContact O-CG 3.47Å; P4-L6 PolarHBondContact O-N 3.28Å | ||
| 5 | D | 68.8 | Low | 80.2 | Confident | 160 Ų | 160 | 97.3 Ų | 97.3 | 86% | 0.856 | 54% | 0.539 | S | S | * | . | trans | -70.3 | 94.6 | -176.5 | -159.4 | 11.1 | 0 | 0 | 0 | 110.2 | G7 | D5-G7 PolarHBondContact O-N 2.91Š| ||
| 6 | L | 76.3 | Confident | 80.3 | Confident | 117 Ų | 117 | 101.1 Ų | 101.1 | 61% | 0.613 | 55% | 0.552 | S | S | * | * | trans | -87.7 | 92.4 | -170.4 | -74.5 | 179.5 | 0 | 0 | 0 | 111.2 | P4 F20 | P4-L6 HydrophobicContact CG-CD2 4.37Å; P4-L6 HydrophobicContact CG-CG 4.49Å; P4-L6 WeakPolarHBondContact O-CG 3.47Å; P4-L6 PolarHBondContact O-N 3.28Å; L6-F20 HydrophobicContact CB-CD1 4.5Å; L6-F20 WeakPolarHBondContact O-CD1 3.3Å; L6-F20 VanDerWaalsContact O-CE1 3.24Å; L6-F20 WeakPolarHBondContact O-CE1 3.45Å | ||
| 7 | G | 82.1 | Confident | 80.7 | Confident | 31 Ų | 31 | 103.3 Ų | 103.3 | 32% | 0.32 | 55% | 0.55 | S | S | . | . | trans | 143.8 | -163.8 | 168 | 0 | 0 | 0 | 0 | 0 | 112.4 | D5 D19 | D5-G7 PolarHBondContact O-N 2.91Å; G7-D19 WeakPolarHBondContact CA-O 3.2Å | ||
| 8 | A | 88.3 | Confident | 81.1 | Confident | 24 Ų | 24 | 102.3 Ų | 102.3 | 20% | 0.198 | 54% | 0.544 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 150.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | D19 P22 I31 | A8-D19 PolarHBondContact N-O 2.76Å; A8-D19 PolarHBondContact O-N 3.38Å; A8-P22 HydrophobicContact CB-CB 3.88Å; A8-P22 HydrophobicContact CB-CG 3.75Å; A8-I31 HydrophobicContact CB-CG2 3.79Å |
| 9 | H | 92 | Very high | 81.2 | Confident | 111 Ų | 111 | 98.8 Ų | 98.8 | 51% | 0.514 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 146.5 | 169.1 | -67.2 | -88.1 | 0 | 0 | 0 | 110.6 | Q16 R17 | H9-Q16 PolarHBondContact ND1-O 2.67Å; H9-R17 WeakPolarHBondContact CA-O 3.48Å |
| 10 | C | 92 | Very high | 81.4 | Confident | 9 Ų | 9 | 101.5 Ų | 101.5 | 6% | 0.061 | 53% | 0.533 | C | S | . | . | trans | -61.8 | 140.9 | 164.5 | -177.3 | 0 | 0 | 0 | 0 | 110.7 | E12 C15 R17 C33 | C10-E12 VanDerWaalsContact C-N 3.35Å; C10-C15 VanDerWaalsContact CB-O 3.3Å; C10-C15 WeakPolarHBondContact CB-O 3.38Å; C10-R17 PolarHBondContact N-O 2.86Å; C10-C33 HydrophobicContact CB-CB 4.1Å; C10-C33 PolarHBondContact SG-N 3.33Å; C10-C33 VanDerWaalsContact SG-N 3.42Å | ||
| 11 | S | 90.8 | Very high | 81.6 | Confident | 69 Ų | 69 | 102.7 Ų | 102.7 | 48% | 0.483 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -87.1 | -5.3 | -176.1 | -49.2 | 0 | 0 | 0 | 0 | 113.3 | I31 | S11-I31 WeakPolarHBondContact CB-O 3.37Å; S11-I31 PolarHBondContact N-O 3.33Å; S11-I31 PolarHBondContact OG-N 3.01Å; S11-I31 PolarHBondContact OG-O 3.49Å |
| 12 | E | 90.1 | Very high | 83 | Confident | 32 Ų | 32 | 95 Ų | 95 | 15% | 0.15 | 51% | 0.506 | C | S | . | . | S | Bend | trans | -70.6 | 118.8 | 175.4 | 169.2 | 46.3 | -126.5 | 0 | 0 | 108.9 | C10 S14 C15 F32 H36 | C10-E12 VanDerWaalsContact C-N 3.35Å; E12-S14 WeakPolarHBondContact CG-OG 3.24Å; E12-S14 PolarHBondContact O-N 2.9Å; E12-S14 WeakPolarHBondContact OE1-CB 3.09Å; E12-S14 PolarHBondContact OE1-N 2.9Å; E12-S14 VanDerWaalsContact OE1-N 3.16Å; E12-S14 PolarHBondContact OE1-OG 3.18Å; E12-C15 HydrophobicContact CB-CB 4.26Å; E12-C15 HydrophobicContact CG-CB 4.1Å; E12-C15 CarbonylContact O-C 3.47Å; E12-C15 PolarHBondContact O-N 3.35Å; E12-F32 HydrophobicContact CB-CD1 4.26Å; E12-F32 HydrophobicContact CB-CE1 4.33Å; E12-H36 HydrophobicContact CB-CB 4.4Å |
| 13 | P | 87.8 | Confident | 84.1 | Confident | 116 Ų | 116 | 88.8 Ų | 88.8 | 75% | 0.753 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -22.6 | -172.3 | 23 | -35.6 | 0 | 0 | 0 | 114.2 | ||
| 14 | S | 90.3 | Very high | 85.5 | Confident | 97 Ų | 97 | 88.2 Ų | 88.2 | 68% | 0.678 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -10.3 | 173.6 | 62.4 | 0 | 0 | 0 | 0 | 114.6 | E12 | E12-S14 WeakPolarHBondContact CG-OG 3.24Å; E12-S14 PolarHBondContact O-N 2.9Å; E12-S14 WeakPolarHBondContact OE1-CB 3.09Å; E12-S14 PolarHBondContact OE1-N 2.9Å; E12-S14 VanDerWaalsContact OE1-N 3.16Å; E12-S14 PolarHBondContact OE1-OG 3.18Å |
| 15 | C | 87.8 | Confident | 86.4 | Confident | 19 Ų | 19 | 83.8 Ų | 83.8 | 13% | 0.128 | 45% | 0.446 | C | S | . | . | trans | -133.7 | 97 | -173.7 | -170.7 | 0 | 0 | 0 | 0 | 112.3 | C10 E12 R17 H36 | C10-C15 VanDerWaalsContact CB-O 3.3Å; C10-C15 WeakPolarHBondContact CB-O 3.38Å; E12-C15 HydrophobicContact CB-CB 4.26Å; E12-C15 HydrophobicContact CG-CB 4.1Å; E12-C15 CarbonylContact O-C 3.47Å; E12-C15 PolarHBondContact O-N 3.35Å; C15-R17 PolarHBondContact O-N 3.05Å; C15-H36 VanDerWaalsContact CB-CE1 3.45Å; C15-H36 WeakPolarHBondContact CB-CE1 3.33Å; C15-H36 PolarHBondContact SG-CE1 3.23Å | ||
| 16 | Q | 82.9 | Confident | 87.4 | Confident | 159 Ų | 159 | 82.2 Ų | 82.2 | 74% | 0.743 | 44% | 0.438 | S | S | * | . | trans | -88.4 | 22.3 | 176.6 | -63.7 | -178.3 | -12.1 | 0 | 0 | 113.6 | H9 L18 | H9-Q16 PolarHBondContact ND1-O 2.67Å; Q16-L18 PolarHBondContact O-N 2.85Å | ||
| 17 | R | 86.7 | Confident | 87.9 | Confident | 138 Ų | 138 | 77.7 Ų | 77.7 | 52% | 0.521 | 42% | 0.417 | S | S | . | . | trans | -61.9 | 125.9 | -177 | -172.6 | 175.5 | -173.7 | 167.6 | 6.2 | 110.4 | H9 C10 C15 C33 D35 | H9-R17 WeakPolarHBondContact CA-O 3.48Å; C10-R17 PolarHBondContact N-O 2.86Å; C15-R17 PolarHBondContact O-N 3.05Å; R17-C33 HydrophobicContact CB-CB 4.49Å; R17-D35 IonicContact CZ-OD2 2.74Å; R17-D35 IonicContact NH1-OD1 3.77Å; R17-D35 IonicContact NH1-OD2 2.69Å; R17-D35 PolarHBondContact NH1-OD2 3.16Å | ||
| 18 | L | 87.3 | Confident | 88.3 | Confident | 85 Ų | 85 | 78.3 Ų | 78.3 | 45% | 0.445 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 129.3 | 164.4 | -80.7 | 170 | 0 | 0 | 0 | 109 | Q16 | Q16-L18 PolarHBondContact O-N 2.85Å |
| 19 | D | 83.2 | Confident | 88.4 | Confident | 37 Ų | 37 | 82 Ų | 82 | 20% | 0.198 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 132.1 | 170.9 | -140.9 | -38.1 | 0 | 0 | 0 | 109.5 | G7 A8 L21 C33 A34 | G7-D19 WeakPolarHBondContact CA-O 3.2Å; A8-D19 PolarHBondContact N-O 2.76Å; A8-D19 PolarHBondContact O-N 3.38Å; D19-L21 VanDerWaalsContact C-N 3.28Å; D19-L21 PolarHBondContact O-N 3.31Å; D19-C33 HydrophobicContact CB-CB 4.23Å; D19-C33 VanDerWaalsContact OD2-CA 3.3Å; D19-C33 WeakPolarHBondContact OD2-CA 3.42Å; D19-C33 VanDerWaalsContact OD2-CB 3.27Å; D19-C33 WeakPolarHBondContact OD2-CB 3.42Å; D19-A34 PolarHBondContact OD2-N 3.42Å |
| 20 | F | 84.4 | Confident | 88.3 | Confident | 152 Ų | 152 | 77.6 Ų | 77.6 | 67% | 0.667 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -78.4 | -17 | -175.5 | -66 | -77.9 | 0 | 0 | 0 | 112.2 | L6 | L6-F20 HydrophobicContact CB-CD1 4.5Å; L6-F20 WeakPolarHBondContact O-CD1 3.3Å; L6-F20 VanDerWaalsContact O-CE1 3.24Å; L6-F20 WeakPolarHBondContact O-CE1 3.45Å |
| 21 | L | 85.6 | Confident | 88.4 | Confident | 127 Ų | 127 | 78.9 Ų | 78.9 | 67% | 0.665 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -113.8 | 96.1 | 169.4 | -85.3 | 68.1 | 0 | 0 | 0 | 108.5 | D19 L23 | D19-L21 VanDerWaalsContact C-N 3.28Å; D19-L21 PolarHBondContact O-N 3.31Å; L21-L23 PolarHBondContact O-N 2.99Å |
| 22 | P | 83.8 | Confident | 88.5 | Confident | 58 Ų | 58 | 76.2 Ų | 76.2 | 38% | 0.377 | 41% | 0.411 | S | S | . | . | trans | -64.8 | 104.5 | -177.4 | -24.6 | 35.9 | 0 | 0 | 0 | 112.4 | A8 K24 I31 | A8-P22 HydrophobicContact CB-CB 3.88Å; A8-P22 HydrophobicContact CB-CG 3.75Å; P22-K24 PolarHBondContact O-N 3.48Å; P22-I31 HydrophobicContact CB-CD1 4.13Å; P22-I31 HydrophobicContact CB-CG2 3.9Å | ||
| 23 | L | 91.5 | Very high | 88.6 | Confident | 60 Ų | 60 | 74.7 Ų | 74.7 | 31% | 0.314 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 118 | 180 | -49.2 | -179 | 0 | 0 | 0 | 109.9 | L21 I31 F32 A34 V37 | L21-L23 PolarHBondContact O-N 2.99Å; L23-I31 CarbonylContact O-C 3.47Å; L23-I31 WeakPolarHBondContact O-CA 3.46Å; L23-F32 WeakPolarHBondContact CB-O 3.35Å; L23-F32 PolarHBondContact N-O 2.98Å; L23-F32 PolarHBondContact O-N 3.32Å; L23-A34 HydrophobicContact CD1-CB 4.29Å; L23-V37 HydrophobicContact CB-CB 4.25Å; L23-V37 HydrophobicContact CB-CG2 3.77Å; L23-V37 HydrophobicContact CD1-CB 4.08Å; L23-V37 HydrophobicContact CD1-CG1 4.01Å; L23-V37 HydrophobicContact CD1-CG2 4.28Å |
| 24 | K | 92.3 | Very high | 88.7 | Confident | 155 Ų | 155 | 72.2 Ų | 72.2 | 67% | 0.674 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 125.6 | 178.5 | -75.6 | 168.9 | -178.7 | 176.5 | 0 | 110.3 | P22 D26 G30 I31 | P22-K24 PolarHBondContact O-N 3.48Å; K24-D26 PolarHBondContact O-N 3.41Å; K24-G30 WeakPolarHBondContact CA-O 3.3Å; K24-I31 HydrophobicContact CD-CD1 4.22Å; K24-I31 HydrophobicContact CG-CD1 3.45Å; K24-I31 VanDerWaalsContact CG-CD1 3.45Å |
| 25 | C | 91.4 | Very high | 88.8 | Confident | 3 Ų | 3 | 71.1 Ų | 71.1 | 2% | 0.02 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 122.3 | 165.4 | 178.8 | 0 | 0 | 0 | 0 | 109.1 | A27 C28 S29 G30 F32 H42 | C25-A27 VanDerWaalsContact C-N 3.29Å; C25-A27 PolarHBondContact O-N 3.3Å; C25-C28 VanDerWaalsContact CB-SG 3.6Å; C25-C28 PolarHBondContact SG-SG 2.69Å; C25-S29 WeakPolarHBondContact O-CA 3.27Å; C25-S29 PolarHBondContact O-N 2.74Å; C25-G30 PolarHBondContact N-O 2.92Å; C25-F32 HydrophobicContact CB-CD2 3.97Å; C25-F32 HydrophobicContact CB-CE2 3.78Å; C25-H42 PolarHBondContact SG-NE2 3.05Å |
| 26 | D | 88.6 | Confident | 89 | Confident | 128 Ų | 128 | 72.2 Ų | 72.2 | 68% | 0.684 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -26.6 | -179.3 | 60.6 | -46.2 | 0 | 0 | 0 | 113 | K24 Y39 | K24-D26 PolarHBondContact O-N 3.41Å; D26-Y39 PolarHBondContact OD1-OH 3.01Å; D26-Y39 PolarHBondContact OD2-OH 2.86Å |
| 27 | A | 88.1 | Confident | 89.4 | Confident | 21 Ų | 21 | 67 Ų | 67 | 17% | 0.174 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -38.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114 | C25 Y39 S46 | C25-A27 VanDerWaalsContact C-N 3.29Å; C25-A27 PolarHBondContact O-N 3.3Å; A27-Y39 HydrophobicContact CB-CD1 4.31Å; A27-Y39 HydrophobicContact CB-CE1 3.62Å; A27-S46 VanDerWaalsContact C-CB 3.42Å; A27-S46 WeakPolarHBondContact O-CB 3.49Å; A27-S46 PolarHBondContact O-OG 2.91Å |
| 28 | C | 89.8 | Confident | 89.6 | Confident | 44 Ų | 44 | 62.7 Ų | 62.7 | 30% | 0.297 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | 1.7 | -176.7 | 72.4 | 0 | 0 | 0 | 0 | 115.5 | C25 G30 | C25-C28 VanDerWaalsContact CB-SG 3.6Å; C25-C28 PolarHBondContact SG-SG 2.69Å; C28-G30 PolarHBondContact O-N 3.21Å |
| 29 | S | 89.8 | Confident | 89.8 | Confident | 102 Ų | 102 | 63 Ų | 63 | 71% | 0.713 | 35% | 0.352 | S | S | * | . | trans | 56.4 | 1.5 | -176.6 | 69.2 | 0 | 0 | 0 | 0 | 117.6 | C25 | C25-S29 WeakPolarHBondContact O-CA 3.27Å; C25-S29 PolarHBondContact O-N 2.74Å | ||
| 30 | G | 90.8 | Very high | 90.1 | Very high | 18 Ų | 18 | 65.3 Ų | 65.3 | 19% | 0.186 | 38% | 0.376 | C | S | . | . | trans | -64.2 | 153.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | K24 C25 C28 F32 | K24-G30 WeakPolarHBondContact CA-O 3.3Å; C25-G30 PolarHBondContact N-O 2.92Å; C28-G30 PolarHBondContact O-N 3.21Å; G30-F32 WeakPolarHBondContact O-CD2 3.39Å | ||
| 31 | I | 93.1 | Very high | 90.4 | Very high | 36 Ų | 36 | 62.2 Ų | 62.2 | 19% | 0.185 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 131.6 | 176.7 | -55.8 | -66 | 0 | 0 | 0 | 109.5 | A8 S11 P22 L23 K24 | A8-I31 HydrophobicContact CB-CG2 3.79Å; S11-I31 WeakPolarHBondContact CB-O 3.37Å; S11-I31 PolarHBondContact N-O 3.33Å; S11-I31 PolarHBondContact OG-N 3.01Å; S11-I31 PolarHBondContact OG-O 3.49Å; P22-I31 HydrophobicContact CB-CD1 4.13Å; P22-I31 HydrophobicContact CB-CG2 3.9Å; L23-I31 CarbonylContact O-C 3.47Å; L23-I31 WeakPolarHBondContact O-CA 3.46Å; K24-I31 HydrophobicContact CD-CD1 4.22Å; K24-I31 HydrophobicContact CG-CD1 3.45Å; K24-I31 VanDerWaalsContact CG-CD1 3.45Å |
| 32 | F | 92.9 | Very high | 90.6 | Very high | 13 Ų | 13 | 57 Ų | 57 | 6% | 0.057 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 157.6 | 177.8 | -58.4 | -80.4 | 0 | 0 | 0 | 111.2 | E12 L23 C25 G30 H36 V37 H42 | E12-F32 HydrophobicContact CB-CD1 4.26Å; E12-F32 HydrophobicContact CB-CE1 4.33Å; L23-F32 WeakPolarHBondContact CB-O 3.35Å; L23-F32 PolarHBondContact N-O 2.98Å; L23-F32 PolarHBondContact O-N 3.32Å; C25-F32 HydrophobicContact CB-CD2 3.97Å; C25-F32 HydrophobicContact CB-CE2 3.78Å; G30-F32 WeakPolarHBondContact O-CD2 3.39Å; F32-H36 HydrophobicContact CB-CB 4.29Å; F32-H36 HydrophobicContact CD1-CB 4.29Å; F32-V37 HydrophobicContact CB-CB 4.2Å; F32-H42 HydrophobicContact CD1-CB 3.89Å; F32-H42 AromaticContact CD2-ND1 3.95Å; F32-H42 HydrophobicContact CE1-CB 3.36Å; F32-H42 AromaticContact CE1-CG 3.65Å; F32-H42 HydrophobicContact CE2-CB 4.45Å; F32-H42 AromaticContact CE2-CD2 3.73Å; F32-H42 AromaticContact CE2-CE1 3.82Å; F32-H42 AromaticContact CE2-CG 3.82Å; F32-H42 AromaticContact CE2-ND1 3.88Å; F32-H42 AromaticContact CE2-NE2 3.76Å; F32-H42 HydrophobicContact CZ-CB 3.69Å; F32-H42 AromaticContact CZ-CD2 3.49Å; F32-H42 VanDerWaalsContact CZ-CD2 3.49Å; F32-H42 WeakPolarHBondContact CZ-CD2 3.34Å; F32-H42 AromaticContact CZ-CG 3.48Å; F32-H42 VanDerWaalsContact CZ-CG 3.48Å; F32-H42 AromaticContact CZ-ND1 3.99Å |
| 33 | C | 92.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 35% | 0.354 | C | S | . | . | trans | -78 | 169.5 | 166.9 | 67.7 | 0 | 0 | 0 | 0 | 110.7 | C10 R17 D19 D35 H36 V37 | C10-C33 HydrophobicContact CB-CB 4.1Å; C10-C33 PolarHBondContact SG-N 3.33Å; C10-C33 VanDerWaalsContact SG-N 3.42Å; R17-C33 HydrophobicContact CB-CB 4.49Å; D19-C33 HydrophobicContact CB-CB 4.23Å; D19-C33 VanDerWaalsContact OD2-CA 3.3Å; D19-C33 WeakPolarHBondContact OD2-CA 3.42Å; D19-C33 VanDerWaalsContact OD2-CB 3.27Å; D19-C33 WeakPolarHBondContact OD2-CB 3.42Å; C33-D35 PolarHBondContact O-N 3.3Å; C33-H36 PolarHBondContact O-N 2.81Å; C33-H36 PolarHBondContact SG-ND1 2.74Å; C33-V37 PolarHBondContact O-N 2.98Å; C33-V37 VanDerWaalsContact O-N 3.12Å | ||
| 34 | A | 90.3 | Very high | 90.7 | Very high | 64 Ų | 64 | 59.8 Ų | 59.8 | 53% | 0.529 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -31.9 | 177 | 0 | 0 | 0 | 0 | 0 | 114.1 | D19 L23 | D19-A34 PolarHBondContact OD2-N 3.42Å; L23-A34 HydrophobicContact CD1-CB 4.29Å |
| 35 | D | 91.3 | Very high | 90.4 | Very high | 75 Ų | 75 | 56.4 Ų | 56.4 | 40% | 0.401 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -10.8 | -177.6 | -40.8 | -69.8 | 0 | 0 | 0 | 114.4 | R17 C33 Q41 | R17-D35 IonicContact CZ-OD2 2.74Å; R17-D35 IonicContact NH1-OD1 3.77Å; R17-D35 IonicContact NH1-OD2 2.69Å; R17-D35 PolarHBondContact NH1-OD2 3.16Å; C33-D35 PolarHBondContact O-N 3.3Å; D35-Q41 PolarHBondContact O-NE2 3.42Å; D35-Q41 PolarHBondContact O-OE1 2.86Å |
| 36 | H | 92 | Very high | 90 | Very high | 42 Ų | 42 | 57.9 Ų | 57.9 | 19% | 0.194 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -131.5 | -2.1 | -173.9 | -65.3 | 96.9 | 0 | 0 | 0 | 114.7 | E12 C15 F32 C33 A38 H42 | E12-H36 HydrophobicContact CB-CB 4.4Å; C15-H36 VanDerWaalsContact CB-CE1 3.45Å; C15-H36 WeakPolarHBondContact CB-CE1 3.33Å; C15-H36 PolarHBondContact SG-CE1 3.23Å; F32-H36 HydrophobicContact CB-CB 4.29Å; F32-H36 HydrophobicContact CD1-CB 4.29Å; C33-H36 PolarHBondContact O-N 2.81Å; C33-H36 PolarHBondContact SG-ND1 2.74Å; H36-A38 VanDerWaalsContact C-N 3.26Å; H36-A38 PolarHBondContact O-N 2.99Å; H36-H42 PolarHBondContact O-ND1 3.28Å |
| 37 | V | 91.8 | Very high | 89.5 | Confident | 48 Ų | 48 | 53.5 Ų | 53.5 | 29% | 0.291 | 34% | 0.344 | S | S | . | . | trans | -65.8 | -22.4 | -177.3 | 68.7 | 0 | 0 | 0 | 0 | 113.8 | L23 F32 C33 H42 | L23-V37 HydrophobicContact CB-CB 4.25Å; L23-V37 HydrophobicContact CB-CG2 3.77Å; L23-V37 HydrophobicContact CD1-CB 4.08Å; L23-V37 HydrophobicContact CD1-CG1 4.01Å; L23-V37 HydrophobicContact CD1-CG2 4.28Å; F32-V37 HydrophobicContact CB-CB 4.2Å; C33-V37 PolarHBondContact O-N 2.98Å; C33-V37 VanDerWaalsContact O-N 3.12Å; V37-H42 PolarHBondContact O-CE1 3.03Å; V37-H42 VanDerWaalsContact O-CE1 3.29Å | ||
| 38 | A | 91.4 | Very high | 88.8 | Confident | 49 Ų | 49 | 63.1 Ų | 63.1 | 41% | 0.405 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -73.9 | 138.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | H36 A40 Q41 H42 | H36-A38 VanDerWaalsContact C-N 3.26Å; H36-A38 PolarHBondContact O-N 2.99Å; A38-A40 PolarHBondContact O-N 2.95Å; A38-Q41 HydrophobicContact CB-CG 4.46Å; A38-Q41 VanDerWaalsContact CB-OE1 3.24Å; A38-Q41 VanDerWaalsContact N-OE1 3.1Å; A38-Q41 WeakPolarHBondContact O-CB 3.47Å; A38-Q41 PolarHBondContact O-N 2.65Å; A38-H42 PolarHBondContact O-ND1 3.44Å |
| 39 | Y | 91.4 | Very high | 88 | Confident | 90 Ų | 90 | 68 Ų | 68 | 35% | 0.353 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -32.4 | -174.5 | -54.9 | -56.6 | 0 | 0 | 0 | 115.5 | D26 A27 H43 C44 A47 | D26-Y39 PolarHBondContact OD1-OH 3.01Å; D26-Y39 PolarHBondContact OD2-OH 2.86Å; A27-Y39 HydrophobicContact CB-CD1 4.31Å; A27-Y39 HydrophobicContact CB-CE1 3.62Å; Y39-H43 PolarHBondContact O-N 3.01Å; Y39-C44 HydrophobicContact CD1-CB 3.92Å; Y39-C44 HydrophobicContact CG-CB 4.36Å; Y39-C44 PolarHBondContact O-N 3.19Å; Y39-A47 HydrophobicContact CD1-CB 4.36Å; Y39-A47 HydrophobicContact CD2-CB 4.49Å; Y39-A47 HydrophobicContact CG-CB 4.09Å |
| 40 | A | 89.4 | Confident | 87.3 | Confident | 86 Ų | 86 | 71 Ų | 71 | 71% | 0.711 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -22.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A38 | A38-A40 PolarHBondContact O-N 2.95Š|
| 41 | Q | 90.1 | Very high | 86.7 | Confident | 87 Ų | 87 | 74.6 Ų | 74.6 | 41% | 0.407 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -49.6 | -177.8 | -66.3 | 162.9 | -39.4 | 0 | 0 | 110.3 | D35 A38 H43 | D35-Q41 PolarHBondContact O-NE2 3.42Å; D35-Q41 PolarHBondContact O-OE1 2.86Å; A38-Q41 HydrophobicContact CB-CG 4.46Å; A38-Q41 VanDerWaalsContact CB-OE1 3.24Å; A38-Q41 VanDerWaalsContact N-OE1 3.1Å; A38-Q41 WeakPolarHBondContact O-CB 3.47Å; A38-Q41 PolarHBondContact O-N 2.65Å; Q41-H43 VanDerWaalsContact C-N 3.33Å; Q41-H43 PolarHBondContact O-N 2.94Å; Q41-H43 PolarHBondContact O-ND1 2.96Å |
| 42 | H | 89.6 | Confident | 86.2 | Confident | 18 Ų | 18 | 78.1 Ų | 78.1 | 8% | 0.083 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 20.4 | 177.5 | 67.7 | -98.2 | 0 | 0 | 0 | 114.2 | C25 F32 H36 V37 A38 C44 | C25-H42 PolarHBondContact SG-NE2 3.05Å; F32-H42 HydrophobicContact CD1-CB 3.89Å; F32-H42 AromaticContact CD2-ND1 3.95Å; F32-H42 HydrophobicContact CE1-CB 3.36Å; F32-H42 AromaticContact CE1-CG 3.65Å; F32-H42 HydrophobicContact CE2-CB 4.45Å; F32-H42 AromaticContact CE2-CD2 3.73Å; F32-H42 AromaticContact CE2-CE1 3.82Å; F32-H42 AromaticContact CE2-CG 3.82Å; F32-H42 AromaticContact CE2-ND1 3.88Å; F32-H42 AromaticContact CE2-NE2 3.76Å; F32-H42 HydrophobicContact CZ-CB 3.69Å; F32-H42 AromaticContact CZ-CD2 3.49Å; F32-H42 VanDerWaalsContact CZ-CD2 3.49Å; F32-H42 WeakPolarHBondContact CZ-CD2 3.34Å; F32-H42 AromaticContact CZ-CG 3.48Å; F32-H42 VanDerWaalsContact CZ-CG 3.48Å; F32-H42 AromaticContact CZ-ND1 3.99Å; H36-H42 PolarHBondContact O-ND1 3.28Å; V37-H42 PolarHBondContact O-CE1 3.03Å; V37-H42 VanDerWaalsContact O-CE1 3.29Å; A38-H42 PolarHBondContact O-ND1 3.44Å; H42-C44 VanDerWaalsContact NE2-CB 3.34Å; H42-C44 WeakPolarHBondContact NE2-CB 3.47Å; H42-C44 PolarHBondContact O-N 3.43Å |
| 43 | H | 88.7 | Confident | 85.9 | Confident | 164 Ų | 164 | 81.2 Ų | 81.2 | 76% | 0.759 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | 50.2 | 175 | -66.9 | 74.6 | 0 | 0 | 0 | 114.3 | Y39 Q41 G45 | Y39-H43 PolarHBondContact O-N 3.01Å; Q41-H43 VanDerWaalsContact C-N 3.33Å; Q41-H43 PolarHBondContact O-N 2.94Å; Q41-H43 PolarHBondContact O-ND1 2.96Å; H43-G45 PolarHBondContact O-N 3.24Å |
| 44 | C | 89.6 | Confident | 85.9 | Confident | 13 Ų | 13 | 82.7 Ų | 82.7 | 9% | 0.088 | 45% | 0.452 | C | S | . | . | trans | -63.8 | 102.3 | -167 | -166.3 | 0 | 0 | 0 | 0 | 113.8 | Y39 H42 S46 A47 | Y39-C44 HydrophobicContact CD1-CB 3.92Å; Y39-C44 HydrophobicContact CG-CB 4.36Å; Y39-C44 PolarHBondContact O-N 3.19Å; H42-C44 VanDerWaalsContact NE2-CB 3.34Å; H42-C44 WeakPolarHBondContact NE2-CB 3.47Å; H42-C44 PolarHBondContact O-N 3.43Å; C44-S46 PolarHBondContact O-N 3.46Å; C44-A47 HydrophobicContact CB-CB 4.2Å; C44-A47 WeakPolarHBondContact O-CB 3.14Å; C44-A47 PolarHBondContact O-N 2.83Å | ||
| 45 | G | 85.7 | Confident | 86.1 | Confident | 83 Ų | 83 | 85.3 Ų | 85.3 | 86% | 0.856 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -17.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115 | H43 | H43-G45 PolarHBondContact O-N 3.24Š|
| 46 | S | 83 | Confident | 86.3 | Confident | 35 Ų | 35 | 81.8 Ų | 81.8 | 25% | 0.245 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -4.9 | 177.2 | -61.5 | 0 | 0 | 0 | 0 | 114.8 | A27 C44 Y48 Q49 | A27-S46 VanDerWaalsContact C-CB 3.42Å; A27-S46 WeakPolarHBondContact O-CB 3.49Å; A27-S46 PolarHBondContact O-OG 2.91Å; C44-S46 PolarHBondContact O-N 3.46Å; S46-Y48 PolarHBondContact O-N 2.92Å; S46-Q49 WeakPolarHBondContact O-CB 3.34Å; S46-Q49 PolarHBondContact O-N 3.21Å |
| 47 | A | 78.4 | Confident | 86.4 | Confident | 35 Ų | 35 | 84.3 Ų | 84.3 | 29% | 0.289 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -22.3 | -169.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y39 C44 | Y39-A47 HydrophobicContact CD1-CB 4.36Å; Y39-A47 HydrophobicContact CD2-CB 4.49Å; Y39-A47 HydrophobicContact CG-CB 4.09Å; C44-A47 HydrophobicContact CB-CB 4.2Å; C44-A47 WeakPolarHBondContact O-CB 3.14Å; C44-A47 PolarHBondContact O-N 2.83Å |
| 48 | Y | 73.2 | Confident | 86.5 | Confident | 224 Ų | 224 | 84.1 Ų | 84.1 | 88% | 0.878 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.2 | 17.8 | 179.9 | -60.9 | -74.4 | 0 | 0 | 0 | 113.9 | S46 | S46-Y48 PolarHBondContact O-N 2.92Š|
| 49 | Q | 73.9 | Confident | 86.5 | Confident | 147 Ų | 147 | 85.9 Ų | 85.9 | 69% | 0.687 | 45% | 0.453 | S | S | * | . | trans | -65.7 | 142.7 | 176.1 | -153.6 | 175.2 | 77.1 | 0 | 0 | 110.8 | S46 I51 | S46-Q49 WeakPolarHBondContact O-CB 3.34Å; S46-Q49 PolarHBondContact O-N 3.21Å; Q49-I51 PolarHBondContact O-N 2.89Å | ||
| 50 | K | 74.9 | Confident | 86.6 | Confident | 163 Ų | 163 | 85.6 Ų | 85.6 | 71% | 0.709 | 48% | 0.478 | S | S | * | . | trans | -78.2 | 84.7 | -167.5 | -69.2 | 172.9 | -178.7 | 168.5 | 0 | 111.9 | F52 T53 | K50-F52 PolarHBondContact O-N 3.29Å; K50-F52 VanDerWaalsContact O-N 3.13Å; K50-T53 VanDerWaalsContact O-CG2 3.24Å; K50-T53 WeakPolarHBondContact O-CG2 3.46Å | ||
| 51 | I | 77.9 | Confident | 86.9 | Confident | 95 Ų | 95 | 82.3 Ų | 82.3 | 49% | 0.487 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -46.1 | -44.5 | 180 | -57 | 176.3 | 0 | 0 | 0 | 112.7 | Q49 T53 M66 | Q49-I51 PolarHBondContact O-N 2.89Å; I51-T53 PolarHBondContact O-N 2.97Å; I51-T53 VanDerWaalsContact O-N 3.16Å; I51-M66 HydrophobicContact CG2-CB 4.2Å; I51-M66 HydrophobicContact CG2-CE 3.93Å; I51-M66 HydrophobicContact CG2-CG 3.62Å; I51-M66 HydrophobicContact CG2-SD 3.63Å |
| 52 | F | 81.6 | Confident | 87 | Confident | 109 Ų | 109 | 89.4 Ų | 89.4 | 48% | 0.478 | 47% | 0.473 | S | S | . | . | trans | -87.5 | 76.9 | 178.9 | -62.6 | -85 | 0 | 0 | 0 | 111.8 | K50 R64 M66 | K50-F52 PolarHBondContact O-N 3.29Å; K50-F52 VanDerWaalsContact O-N 3.13Å; F52-R64 HydrophobicContact CB-CB 3.98Å; F52-R64 PolarHBondContact O-NE 3.31Å; F52-R64 VanDerWaalsContact O-NE 3.11Å; F52-R64 PolarHBondContact O-NH1 2.9Å; F52-R64 PolarHBondContact O-NH2 2.96Å; F52-M66 HydrophobicContact CD1-CB 4.46Å; F52-M66 HydrophobicContact CE1-CB 4.34Å | ||
| 53 | T | 87.9 | Confident | 87.2 | Confident | 78 Ų | 78 | 93 Ų | 93 | 48% | 0.479 | 49% | 0.489 | S | S | . | . | trans | -82.1 | -47.5 | 176.8 | 48.7 | 0 | 0 | 0 | 0 | 113.3 | K50 I51 K55 R64 | K50-T53 VanDerWaalsContact O-CG2 3.24Å; K50-T53 WeakPolarHBondContact O-CG2 3.46Å; I51-T53 PolarHBondContact O-N 2.97Å; I51-T53 VanDerWaalsContact O-N 3.16Å; T53-K55 PolarHBondContact O-N 3.05Å; T53-R64 PolarHBondContact O-NE 2.87Å; T53-R64 PolarHBondContact O-NH2 3.28Å | ||
| 54 | N | 92.3 | Very high | 87.5 | Confident | 32 Ų | 32 | 90.3 Ų | 90.3 | 17% | 0.171 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 109.7 | -164.4 | -53.9 | -78.1 | 0 | 0 | 0 | 111.3 | R64 E65 M66 K68 | N54-R64 CarbonylContact O-C 3.58Å; N54-R64 WeakPolarHBondContact O-CA 3.47Å; N54-E65 HydrophobicContact CB-CB 4.34Å; N54-E65 WeakPolarHBondContact CB-O 3.49Å; N54-E65 PolarHBondContact N-O 2.99Å; N54-E65 PolarHBondContact ND2-O 2.97Å; N54-E65 PolarHBondContact O-N 3.03Å; N54-M66 PolarHBondContact ND2-O 3.43Å; N54-K68 PolarHBondContact ND2-N 2.92Å; N54-K68 VanDerWaalsContact OD1-CB 3.28Å; N54-K68 WeakPolarHBondContact OD1-CB 3.48Å |
| 55 | K | 94.4 | Very high | 87.6 | Confident | 118 Ų | 118 | 90.9 Ų | 90.9 | 51% | 0.513 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 123.6 | -177.5 | -179.7 | -158.6 | 161.6 | -69.6 | 0 | 110.1 | T53 E57 N77 | T53-K55 PolarHBondContact O-N 3.05Å; K55-E57 PolarHBondContact O-N 3.22Å; K55-N77 PolarHBondContact N-OD1 3.06Å; K55-N77 PolarHBondContact O-OD1 2.93Å |
| 56 | C | 95.4 | Very high | 87.7 | Confident | 1 Ų | 1 | 93 Ų | 93 | 1% | 0.007 | 46% | 0.463 | C | S | . | . | trans | -54.4 | 131.9 | 171.9 | -172 | 0 | 0 | 0 | 0 | 112.3 | C61 Q63 C79 | C56-C61 HydrophobicContact CB-CB 4.13Å; C56-Q63 WeakPolarHBondContact CB-O 3.35Å; C56-Q63 PolarHBondContact N-O 3.2Å; C56-Q63 VanDerWaalsContact N-O 3.14Å; C56-C79 HydrophobicContact CB-CB 4.11Å; C56-C79 PolarHBondContact SG-N 3.11Å | ||
| 57 | E | 93.9 | Very high | 88 | Confident | 95 Ų | 95 | 97.7 Ų | 97.7 | 44% | 0.444 | 48% | 0.483 | S | S | . | . | trans | -89.8 | -16.6 | -175.3 | -69.4 | -180 | -130.8 | 0 | 0 | 114.1 | K55 A59 R76 N77 F78 | K55-E57 PolarHBondContact O-N 3.22Å; E57-A59 PolarHBondContact O-N 2.92Å; E57-R76 HydrophobicContact CB-CB 4.38Å; E57-R76 WeakPolarHBondContact OE2-CB 3.48Å; E57-R76 WeakPolarHBondContact OE2-CD 3.46Å; E57-R76 WeakPolarHBondContact OE2-CG 3.4Å; E57-N77 WeakPolarHBondContact CB-O 3.45Å; E57-N77 WeakPolarHBondContact CG-O 3.38Å; E57-N77 PolarHBondContact N-O 3.44Å; E57-N77 PolarHBondContact OE1-N 3.44Å; E57-F78 HydrophobicContact CB-CE1 4.23Å | ||
| 58 | R | 93.6 | Very high | 88.6 | Confident | 44 Ų | 44 | 101.9 Ų | 101.9 | 17% | 0.166 | 50% | 0.495 | C | S | . | . | S | Bend | trans | -59.5 | 137.2 | 175.6 | 174 | 166.8 | 53.5 | 131.7 | 15.4 | 111.3 | C61 F78 H82 D87 H88 | R58-C61 HydrophobicContact CB-CB 4.48Å; R58-C61 WeakPolarHBondContact O-CB 3.28Å; R58-C61 PolarHBondContact O-N 3.29Å; R58-C61 VanDerWaalsContact O-N 3.14Å; R58-F78 HydrophobicContact CB-CD1 3.94Å; R58-F78 HydrophobicContact CB-CE1 3.93Å; R58-H82 VanDerWaalsContact CZ-CB 3.44Å; R58-H82 PolarHBondContact NE-CD2 3.34Å; R58-H82 VanDerWaalsContact NE-CD2 3.31Å; R58-H82 PolarHBondContact NE-CE1 3.26Å; R58-H82 PolarHBondContact NE-ND1 3.04Å; R58-H82 PolarHBondContact NH1-CD2 3.47Å; R58-H82 PolarHBondContact NH1-CE1 3.46Å; R58-H82 VanDerWaalsContact NH1-CG 3.33Å; R58-H82 PolarHBondContact NH1-NE2 3.29Å; R58-H82 PolarHBondContact NH2-CD2 3.26Å; R58-H82 PolarHBondContact NH2-CE1 3.47Å; R58-H82 PolarHBondContact NH2-ND1 2.93Å; R58-H82 PolarHBondContact NH2-NE2 3.02Å; R58-D87 WeakPolarHBondContact CD-O 3.46Å; R58-D87 VanDerWaalsContact CZ-O 3.23Å; R58-D87 PolarHBondContact NE-O 3.31Å; R58-D87 PolarHBondContact NH1-O 3.22Å; R58-H88 HydrophobicContact CB-CB 4.26Å; R58-H88 HydrophobicContact CG-CB 4.46Å |
| 59 | A | 92.1 | Very high | 89.6 | Confident | 86 Ų | 86 | 93.2 Ų | 93.2 | 71% | 0.711 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | 143.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E57 C61 | E57-A59 PolarHBondContact O-N 2.92Å; A59-C61 PolarHBondContact O-N 3.27Å |
| 60 | G | 93.4 | Very high | 90.6 | Very high | 85 Ų | 85 | 89.6 Ų | 89.6 | 88% | 0.876 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | -17 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | R62 | G60-R62 PolarHBondContact O-N 2.84Š|
| 61 | C | 94.6 | Very high | 91.5 | Very high | 17 Ų | 17 | 82.2 Ų | 82.2 | 12% | 0.115 | 42% | 0.42 | C | S | . | . | trans | -79.8 | 124.8 | -177.4 | -162.4 | 0 | 0 | 0 | 0 | 112.4 | C56 R58 A59 H82 | C56-C61 HydrophobicContact CB-CB 4.13Å; R58-C61 HydrophobicContact CB-CB 4.48Å; R58-C61 WeakPolarHBondContact O-CB 3.28Å; R58-C61 PolarHBondContact O-N 3.29Å; R58-C61 VanDerWaalsContact O-N 3.14Å; A59-C61 PolarHBondContact O-N 3.27Å; C61-H82 PolarHBondContact SG-ND1 3.31Å | ||
| 62 | R | 93.6 | Very high | 92.1 | Very high | 236 Ų | 236 | 87 Ų | 87 | 89% | 0.891 | 44% | 0.44 | S | S | * | . | trans | -104.2 | 1.7 | 173.9 | -62.8 | -174.5 | 178.5 | -169.7 | -0.6 | 113.8 | G60 | G60-R62 PolarHBondContact O-N 2.84Š| ||
| 63 | Q | 93.3 | Very high | 92.5 | Very high | 92 Ų | 92 | 88.5 Ų | 88.5 | 43% | 0.43 | 44% | 0.443 | S | S | . | . | trans | -63.7 | 136.5 | -178.8 | -171.2 | 62.3 | 44.6 | 0 | 0 | 110.8 | C56 C79 | C56-Q63 WeakPolarHBondContact CB-O 3.35Å; C56-Q63 PolarHBondContact N-O 3.2Å; C56-Q63 VanDerWaalsContact N-O 3.14Å; Q63-C79 HydrophobicContact CB-CB 3.74Å; Q63-C79 HydrophobicContact CG-CB 3.41Å; Q63-C79 VanDerWaalsContact CG-CB 3.41Å | ||
| 64 | R | 94.4 | Very high | 92.7 | Very high | 108 Ų | 108 | 85.5 Ų | 85.5 | 41% | 0.408 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 147.7 | 169.3 | -55 | -175.7 | 77.6 | -166.1 | 5.4 | 109.3 | F52 T53 N54 | F52-R64 HydrophobicContact CB-CB 3.98Å; F52-R64 PolarHBondContact O-NE 3.31Å; F52-R64 VanDerWaalsContact O-NE 3.11Å; F52-R64 PolarHBondContact O-NH1 2.9Å; F52-R64 PolarHBondContact O-NH2 2.96Å; T53-R64 PolarHBondContact O-NE 2.87Å; T53-R64 PolarHBondContact O-NH2 3.28Å; N54-R64 CarbonylContact O-C 3.58Å; N54-R64 WeakPolarHBondContact O-CA 3.47Å |
| 65 | E | 92.4 | Very high | 92.7 | Very high | 26 Ų | 26 | 88.5 Ų | 88.5 | 12% | 0.121 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 146.8 | -170.4 | -152.8 | 66.6 | -95.7 | 0 | 0 | 110.5 | N54 C79 I80 | N54-E65 HydrophobicContact CB-CB 4.34Å; N54-E65 WeakPolarHBondContact CB-O 3.49Å; N54-E65 PolarHBondContact N-O 2.99Å; N54-E65 PolarHBondContact ND2-O 2.97Å; N54-E65 PolarHBondContact O-N 3.03Å; E65-C79 WeakPolarHBondContact OE2-CA 3.41Å; E65-C79 WeakPolarHBondContact OE2-CB 3.42Å; E65-I80 HydrophobicContact CG-CG1 4.33Å; E65-I80 WeakPolarHBondContact OE2-CG1 3.4Å; E65-I80 PolarHBondContact OE2-N 3.12Å |
| 66 | M | 88.1 | Confident | 92.7 | Very high | 127 Ų | 127 | 87.6 Ų | 87.6 | 63% | 0.626 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -70.3 | -36.8 | 176.7 | -177.4 | 174.7 | -179.2 | 0 | 0 | 111.6 | I51 F52 N54 | I51-M66 HydrophobicContact CG2-CB 4.2Å; I51-M66 HydrophobicContact CG2-CE 3.93Å; I51-M66 HydrophobicContact CG2-CG 3.62Å; I51-M66 HydrophobicContact CG2-SD 3.63Å; F52-M66 HydrophobicContact CD1-CB 4.46Å; F52-M66 HydrophobicContact CE1-CB 4.34Å; N54-M66 PolarHBondContact ND2-O 3.43Å |
| 67 | M | 88 | Confident | 92.7 | Very high | 133 Ų | 133 | 87.8 Ų | 87.8 | 66% | 0.655 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -103.4 | 144.4 | 176.5 | -178.7 | 175.6 | -77 | 0 | 0 | 111.5 | L69 | M67-L69 HydrophobicContact CG-CD2 4.22Å; M67-L69 PolarHBondContact O-N 3.26Å; M67-L69 VanDerWaalsContact O-N 3.16Å; M67-L69 HydrophobicContact SD-CD2 4.11Å |
| 68 | K | 92 | Very high | 92.8 | Very high | 124 Ų | 124 | 83.5 Ų | 83.5 | 54% | 0.539 | 42% | 0.422 | S | S | . | . | trans | -78.4 | 94.5 | 172 | -162.1 | -167.6 | -179.3 | -167.4 | 0 | 110.8 | N54 T70 N77 | N54-K68 PolarHBondContact ND2-N 2.92Å; N54-K68 VanDerWaalsContact OD1-CB 3.28Å; N54-K68 WeakPolarHBondContact OD1-CB 3.48Å; K68-T70 HydrophobicContact CD-CG2 3.82Å; K68-T70 VanDerWaalsContact CE-CG2 3.46Å; K68-T70 HydrophobicContact CG-CG2 4.08Å; K68-T70 PolarHBondContact O-N 2.9Å; K68-N77 HydrophobicContact CG-CB 4.17Å | ||
| 69 | L | 94.6 | Very high | 92.9 | Very high | 41 Ų | 41 | 81.4 Ų | 81.4 | 22% | 0.215 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 102 | 168.8 | -52.4 | 177.8 | 0 | 0 | 0 | 109.3 | M67 N77 F78 I80 R83 | M67-L69 HydrophobicContact CG-CD2 4.22Å; M67-L69 PolarHBondContact O-N 3.26Å; M67-L69 VanDerWaalsContact O-N 3.16Å; M67-L69 HydrophobicContact SD-CD2 4.11Å; L69-N77 PolarHBondContact N-ND2 2.91Å; L69-N77 WeakPolarHBondContact O-CA 3.47Å; L69-N77 PolarHBondContact O-ND2 3.33Å; L69-F78 PolarHBondContact O-N 2.94Å; L69-I80 HydrophobicContact CD1-CB 4.28Å; L69-I80 HydrophobicContact CD1-CG1 3.67Å; L69-R83 HydrophobicContact CD1-CB 4.35Å |
| 70 | T | 95.2 | Very high | 93 | Very high | 72 Ų | 72 | 81.9 Ų | 81.9 | 44% | 0.442 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 136.2 | 173.7 | 43.9 | 0 | 0 | 0 | 0 | 111.1 | K68 E72 S75 R76 | K68-T70 HydrophobicContact CD-CG2 3.82Å; K68-T70 VanDerWaalsContact CE-CG2 3.46Å; K68-T70 HydrophobicContact CG-CG2 4.08Å; K68-T70 PolarHBondContact O-N 2.9Å; T70-E72 PolarHBondContact O-N 3.44Å; T70-S75 WeakPolarHBondContact CG2-O 3.48Å; T70-R76 WeakPolarHBondContact CA-O 3.47Å |
| 71 | C | 93.4 | Very high | 93.1 | Very high | 7 Ų | 7 | 85.6 Ų | 85.6 | 5% | 0.047 | 40% | 0.396 | C | S | . | . | trans | -71.9 | 127.7 | 170.3 | -180 | 0 | 0 | 0 | 0 | 110.6 | R73 C74 S75 R76 F78 C90 | C71-R73 PolarHBondContact O-N 2.97Å; C71-C74 PolarHBondContact O-N 3.41Å; C71-S75 WeakPolarHBondContact O-CA 3.25Å; C71-S75 PolarHBondContact O-N 3.41Å; C71-R76 PolarHBondContact N-O 3.31Å; C71-F78 HydrophobicContact CB-CD2 4.05Å; C71-F78 HydrophobicContact CB-CE2 3.82Å; C71-C90 VanDerWaalsContact SG-SG 3.62Å | ||
| 72 | E | 90.6 | Very high | 93.1 | Very high | 196 Ų | 196 | 87.4 Ų | 87.4 | 92% | 0.916 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -31.5 | 179.7 | -64.3 | 167.8 | -179.2 | 0 | 0 | 113.7 | T70 | T70-E72 PolarHBondContact O-N 3.44Š|
| 73 | R | 90.3 | Very high | 93.1 | Very high | 141 Ų | 141 | 84 Ų | 84 | 53% | 0.532 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -38.2 | -176.5 | -57.9 | -170.9 | -169.9 | -175.1 | 9.8 | 113.8 | C71 G92 G94 | C71-R73 PolarHBondContact O-N 2.97Å; R73-G92 WeakPolarHBondContact O-CA 3.47Å; R73-G94 PolarHBondContact NH1-O 2.93Å |
| 74 | C | 91.9 | Very high | 93.1 | Very high | 15 Ų | 15 | 84.5 Ų | 84.5 | 10% | 0.101 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118 | 2.3 | -172 | 76.6 | 0 | 0 | 0 | 0 | 114.6 | C71 R76 | C71-C74 PolarHBondContact O-N 3.41Å; C74-R76 PolarHBondContact O-N 2.96Å |
| 75 | S | 92.4 | Very high | 92.9 | Very high | 94 Ų | 94 | 80.9 Ų | 80.9 | 66% | 0.657 | 38% | 0.383 | S | S | * | . | trans | 55.8 | -9.1 | -180 | 73.9 | 0 | 0 | 0 | 0 | 118.4 | T70 C71 | T70-S75 WeakPolarHBondContact CG2-O 3.48Å; C71-S75 WeakPolarHBondContact O-CA 3.25Å; C71-S75 PolarHBondContact O-N 3.41Å | ||
| 76 | R | 93.5 | Very high | 92.8 | Very high | 99 Ų | 99 | 86.8 Ų | 86.8 | 37% | 0.374 | 41% | 0.414 | S | S | . | . | trans | -63.9 | 151.2 | 174.4 | -63.7 | -171.6 | -170.2 | 133.3 | 7.4 | 113.1 | E57 T70 C71 C74 F78 S91 | E57-R76 HydrophobicContact CB-CB 4.38Å; E57-R76 WeakPolarHBondContact OE2-CB 3.48Å; E57-R76 WeakPolarHBondContact OE2-CD 3.46Å; E57-R76 WeakPolarHBondContact OE2-CG 3.4Å; T70-R76 WeakPolarHBondContact CA-O 3.47Å; C71-R76 PolarHBondContact N-O 3.31Å; C74-R76 PolarHBondContact O-N 2.96Å; R76-F78 HydrophobicContact CB-CE2 3.69Å; R76-F78 HydrophobicContact CB-CZ 3.66Å; R76-F78 WeakPolarHBondContact O-CD2 2.91Å; R76-F78 WeakPolarHBondContact O-CE2 3.34Å; R76-S91 PolarHBondContact NH1-OG 2.72Å; R76-S91 PolarHBondContact NH2-OG 3.03Å | ||
| 77 | N | 95.7 | Very high | 92.9 | Very high | 5 Ų | 5 | 83.9 Ų | 83.9 | 3% | 0.027 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 135.2 | 176.4 | 173.4 | -125.3 | 0 | 0 | 0 | 112.9 | K55 E57 K68 L69 | K55-N77 PolarHBondContact N-OD1 3.06Å; K55-N77 PolarHBondContact O-OD1 2.93Å; E57-N77 WeakPolarHBondContact CB-O 3.45Å; E57-N77 WeakPolarHBondContact CG-O 3.38Å; E57-N77 PolarHBondContact N-O 3.44Å; E57-N77 PolarHBondContact OE1-N 3.44Å; K68-N77 HydrophobicContact CG-CB 4.17Å; L69-N77 PolarHBondContact N-ND2 2.91Å; L69-N77 WeakPolarHBondContact O-CA 3.47Å; L69-N77 PolarHBondContact O-ND2 3.33Å |
| 78 | F | 95.9 | Very high | 93.1 | Very high | 5 Ų | 5 | 78.2 Ų | 78.2 | 2% | 0.022 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 166.7 | 172.2 | -56.2 | -77.7 | 0 | 0 | 0 | 110.9 | E57 R58 L69 C71 R76 H82 H88 | E57-F78 HydrophobicContact CB-CE1 4.23Å; R58-F78 HydrophobicContact CB-CD1 3.94Å; R58-F78 HydrophobicContact CB-CE1 3.93Å; L69-F78 PolarHBondContact O-N 2.94Å; C71-F78 HydrophobicContact CB-CD2 4.05Å; C71-F78 HydrophobicContact CB-CE2 3.82Å; R76-F78 HydrophobicContact CB-CE2 3.69Å; R76-F78 HydrophobicContact CB-CZ 3.66Å; R76-F78 WeakPolarHBondContact O-CD2 2.91Å; R76-F78 WeakPolarHBondContact O-CE2 3.34Å; F78-H82 HydrophobicContact CB-CB 4.11Å; F78-H82 WeakPolarHBondContact CB-O 3.34Å; F78-H88 HydrophobicContact CD1-CB 3.92Å; F78-H88 AromaticContact CD1-CG 3.98Å; F78-H88 AromaticContact CD2-CE1 3.65Å; F78-H88 AromaticContact CD2-ND1 3.66Å; F78-H88 HydrophobicContact CE1-CB 3.61Å; F78-H88 AromaticContact CE1-CD2 3.89Å; F78-H88 AromaticContact CE1-CG 3.64Å; F78-H88 AromaticContact CE2-CD2 3.49Å; F78-H88 VanDerWaalsContact CE2-CD2 3.49Å; F78-H88 WeakPolarHBondContact CE2-CD2 3.35Å; F78-H88 AromaticContact CE2-CE1 3.5Å; F78-H88 VanDerWaalsContact CE2-CE1 3.5Å; F78-H88 WeakPolarHBondContact CE2-CE1 3.33Å; F78-H88 AromaticContact CE2-CG 3.71Å; F78-H88 AromaticContact CE2-ND1 3.7Å; F78-H88 AromaticContact CE2-NE2 3.37Å; F78-H88 WeakPolarHBondContact CE2-NE2 3.44Å; F78-H88 AromaticContact CG-ND1 3.9Å; F78-H88 HydrophobicContact CZ-CB 3.97Å; F78-H88 AromaticContact CZ-CD2 3.29Å; F78-H88 WeakPolarHBondContact CZ-CD2 3.3Å; F78-H88 AromaticContact CZ-CG 3.49Å; F78-H88 VanDerWaalsContact CZ-CG 3.49Å; F78-H88 AromaticContact CZ-ND1 3.97Å; F78-H88 AromaticContact CZ-NE2 3.7Å |
| 79 | C | 95.6 | Very high | 93 | Very high | 1 Ų | 1 | 77.8 Ų | 77.8 | 1% | 0.007 | 38% | 0.377 | C | S | . | . | trans | -83.2 | 170.2 | 170.2 | 59.3 | 0 | 0 | 0 | 0 | 111.1 | C56 Q63 E65 K81 H82 R83 | C56-C79 HydrophobicContact CB-CB 4.11Å; C56-C79 PolarHBondContact SG-N 3.11Å; Q63-C79 HydrophobicContact CB-CB 3.74Å; Q63-C79 HydrophobicContact CG-CB 3.41Å; Q63-C79 VanDerWaalsContact CG-CB 3.41Å; E65-C79 WeakPolarHBondContact OE2-CA 3.41Å; E65-C79 WeakPolarHBondContact OE2-CB 3.42Å; C79-K81 PolarHBondContact O-N 3.21Å; C79-K81 VanDerWaalsContact O-N 3.09Å; C79-H82 CarbonylContact O-C 3.54Å; C79-H82 PolarHBondContact O-N 3.39Å; C79-R83 PolarHBondContact O-N 3.47Å | ||
| 80 | I | 93.8 | Very high | 92.8 | Very high | 95 Ų | 95 | 77.5 Ų | 77.5 | 49% | 0.487 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -50 | -41.8 | -179.4 | -68.2 | 161.4 | 0 | 0 | 0 | 111.9 | E65 L69 H82 | E65-I80 HydrophobicContact CG-CG1 4.33Å; E65-I80 WeakPolarHBondContact OE2-CG1 3.4Å; E65-I80 PolarHBondContact OE2-N 3.12Å; L69-I80 HydrophobicContact CD1-CB 4.28Å; L69-I80 HydrophobicContact CD1-CG1 3.67Å; I80-H82 VanDerWaalsContact C-N 3.25Å; I80-H82 PolarHBondContact O-N 2.77Å |
| 81 | K | 94.9 | Very high | 92.2 | Very high | 163 Ų | 163 | 77.8 Ų | 77.8 | 71% | 0.709 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -67 | -16.1 | 179.4 | -67.4 | -170.9 | 177.7 | -174.4 | 0 | 115 | C79 | C79-K81 PolarHBondContact O-N 3.21Å; C79-K81 VanDerWaalsContact O-N 3.09Å |
| 82 | H | 95.2 | Very high | 91.4 | Very high | 56 Ų | 56 | 78 Ų | 78 | 26% | 0.259 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -128.5 | 19 | -176.7 | -64 | 150.6 | 0 | 0 | 0 | 113.6 | R58 C61 F78 C79 I80 H84 D87 H88 | R58-H82 VanDerWaalsContact CZ-CB 3.44Å; R58-H82 PolarHBondContact NE-CD2 3.34Å; R58-H82 VanDerWaalsContact NE-CD2 3.31Å; R58-H82 PolarHBondContact NE-CE1 3.26Å; R58-H82 PolarHBondContact NE-ND1 3.04Å; R58-H82 PolarHBondContact NH1-CD2 3.47Å; R58-H82 PolarHBondContact NH1-CE1 3.46Å; R58-H82 VanDerWaalsContact NH1-CG 3.33Å; R58-H82 PolarHBondContact NH1-NE2 3.29Å; R58-H82 PolarHBondContact NH2-CD2 3.26Å; R58-H82 PolarHBondContact NH2-CE1 3.47Å; R58-H82 PolarHBondContact NH2-ND1 2.93Å; R58-H82 PolarHBondContact NH2-NE2 3.02Å; C61-H82 PolarHBondContact SG-ND1 3.31Å; F78-H82 HydrophobicContact CB-CB 4.11Å; F78-H82 WeakPolarHBondContact CB-O 3.34Å; C79-H82 CarbonylContact O-C 3.54Å; C79-H82 PolarHBondContact O-N 3.39Å; I80-H82 VanDerWaalsContact C-N 3.25Å; I80-H82 PolarHBondContact O-N 2.77Å; H82-H84 VanDerWaalsContact C-N 3.27Å; H82-H84 PolarHBondContact O-N 2.94Å; H82-D87 HydrophobicContact CB-CB 4.08Å; H82-H88 PolarHBondContact O-ND1 3.38Å |
| 83 | R | 94.5 | Very high | 90.2 | Very high | 164 Ų | 164 | 78.4 Ų | 78.4 | 62% | 0.619 | 39% | 0.388 | S | S | * | . | trans | -65.5 | -27.2 | -176.3 | 77.4 | 178.7 | -163.6 | -94.6 | 4.1 | 113.7 | L69 C79 | L69-R83 HydrophobicContact CD1-CB 4.35Å; C79-R83 PolarHBondContact O-N 3.47Å | ||
| 84 | H | 92.9 | Very high | 88.8 | Confident | 103 Ų | 103 | 72.9 Ų | 72.9 | 48% | 0.477 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -82 | 144.9 | -173.9 | -167.1 | -116.6 | 0 | 0 | 0 | 111.2 | H82 L86 D87 H88 | H82-H84 VanDerWaalsContact C-N 3.27Å; H82-H84 PolarHBondContact O-N 2.94Å; H84-L86 PolarHBondContact O-N 3.38Å; H84-D87 VanDerWaalsContact CB-OD2 3.27Å; H84-D87 WeakPolarHBondContact CB-OD2 3.5Å; H84-D87 PolarHBondContact O-N 2.92Å; H84-H88 PolarHBondContact O-CE1 2.95Å; H84-H88 PolarHBondContact O-ND1 2.93Å |
| 85 | P | 89.8 | Confident | 86.9 | Confident | 31 Ų | 31 | 78.8 Ų | 78.8 | 20% | 0.201 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -13.2 | 179.3 | -27.8 | 37.2 | 0 | 0 | 0 | 116.4 | C90 | P85-C90 HydrophobicContact CB-CB 4.23Å; P85-C90 WeakPolarHBondContact O-CB 3.28Å |
| 86 | L | 89.6 | Confident | 85.1 | Confident | 150 Ų | 150 | 79.9 Ų | 79.9 | 79% | 0.785 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -17.9 | 174.2 | -59.2 | 179.4 | 0 | 0 | 0 | 113.2 | H84 H88 | H84-L86 PolarHBondContact O-N 3.38Å; L86-H88 VanDerWaalsContact C-N 3.31Å |
| 87 | D | 91.6 | Very high | 83.6 | Confident | 67 Ų | 67 | 77.1 Ų | 77.1 | 36% | 0.358 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -5 | -179.6 | -68.3 | -47.7 | 0 | 0 | 0 | 112.8 | R58 H82 H84 | R58-D87 WeakPolarHBondContact CD-O 3.46Å; R58-D87 VanDerWaalsContact CZ-O 3.23Å; R58-D87 PolarHBondContact NE-O 3.31Å; R58-D87 PolarHBondContact NH1-O 3.22Å; H82-D87 HydrophobicContact CB-CB 4.08Å; H84-D87 VanDerWaalsContact CB-OD2 3.27Å; H84-D87 WeakPolarHBondContact CB-OD2 3.5Å; H84-D87 PolarHBondContact O-N 2.92Å |
| 88 | H | 92.1 | Very high | 82.5 | Confident | 13 Ų | 13 | 80.3 Ų | 80.3 | 6% | 0.06 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -148 | 162.1 | -178.4 | 66.7 | -100.5 | 0 | 0 | 0 | 112.8 | R58 F78 H82 H84 L86 C90 | R58-H88 HydrophobicContact CB-CB 4.26Å; R58-H88 HydrophobicContact CG-CB 4.46Å; F78-H88 HydrophobicContact CD1-CB 3.92Å; F78-H88 AromaticContact CD1-CG 3.98Å; F78-H88 AromaticContact CD2-CE1 3.65Å; F78-H88 AromaticContact CD2-ND1 3.66Å; F78-H88 HydrophobicContact CE1-CB 3.61Å; F78-H88 AromaticContact CE1-CD2 3.89Å; F78-H88 AromaticContact CE1-CG 3.64Å; F78-H88 AromaticContact CE2-CD2 3.49Å; F78-H88 VanDerWaalsContact CE2-CD2 3.49Å; F78-H88 WeakPolarHBondContact CE2-CD2 3.35Å; F78-H88 AromaticContact CE2-CE1 3.5Å; F78-H88 VanDerWaalsContact CE2-CE1 3.5Å; F78-H88 WeakPolarHBondContact CE2-CE1 3.33Å; F78-H88 AromaticContact CE2-CG 3.71Å; F78-H88 AromaticContact CE2-ND1 3.7Å; F78-H88 AromaticContact CE2-NE2 3.37Å; F78-H88 WeakPolarHBondContact CE2-NE2 3.44Å; F78-H88 AromaticContact CG-ND1 3.9Å; F78-H88 HydrophobicContact CZ-CB 3.97Å; F78-H88 AromaticContact CZ-CD2 3.29Å; F78-H88 WeakPolarHBondContact CZ-CD2 3.3Å; F78-H88 AromaticContact CZ-CG 3.49Å; F78-H88 VanDerWaalsContact CZ-CG 3.49Å; F78-H88 AromaticContact CZ-ND1 3.97Å; F78-H88 AromaticContact CZ-NE2 3.7Å; H82-H88 PolarHBondContact O-ND1 3.38Å; H84-H88 PolarHBondContact O-CE1 2.95Å; H84-H88 PolarHBondContact O-ND1 2.93Å; L86-H88 VanDerWaalsContact C-N 3.31Å; H88-C90 PolarHBondContact NE2-SG 3.39Å; H88-C90 PolarHBondContact O-N 2.98Å |
| 89 | D | 89.8 | Confident | 81.4 | Confident | 115 Ų | 115 | 91 Ų | 91 | 62% | 0.615 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | 75.5 | 178.9 | -43.8 | -88.2 | 0 | 0 | 0 | 110.4 | S91 | D89-S91 PolarHBondContact O-N 2.94Å; D89-S91 PolarHBondContact O-OG 2.85Å |
| 90 | C | 89.6 | Confident | 80.2 | Confident | 35 Ų | 35 | 94.1 Ų | 94.1 | 24% | 0.236 | 49% | 0.489 | C | S | . | . | trans | -75 | 85.7 | -167.3 | -160.8 | 0 | 0 | 0 | 0 | 111.6 | C71 P85 H88 G92 | C71-C90 VanDerWaalsContact SG-SG 3.62Å; P85-C90 HydrophobicContact CB-CB 4.23Å; P85-C90 WeakPolarHBondContact O-CB 3.28Å; H88-C90 PolarHBondContact NE2-SG 3.39Å; H88-C90 PolarHBondContact O-N 2.98Å; C90-G92 PolarHBondContact O-N 2.84Å | ||
| 91 | S | 84 | Confident | 79.7 | Confident | 78 Ų | 78 | 90.7 Ų | 90.7 | 55% | 0.545 | 48% | 0.477 | S | S | . | . | trans | -71.2 | 27.7 | 178.1 | -40.1 | 0 | 0 | 0 | 0 | 114.4 | R76 D89 | R76-S91 PolarHBondContact NH1-OG 2.72Å; R76-S91 PolarHBondContact NH2-OG 3.03Å; D89-S91 PolarHBondContact O-N 2.94Å; D89-S91 PolarHBondContact O-OG 2.85Å | ||
| 92 | G | 76.4 | Confident | 78.9 | Confident | 13 Ų | 13 | 87.8 Ų | 87.8 | 13% | 0.134 | 47% | 0.469 | C | S | . | . | S | Bend | trans | -86 | 125.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | R73 C90 G94 | R73-G92 WeakPolarHBondContact O-CA 3.47Å; C90-G92 PolarHBondContact O-N 2.84Å; G92-G94 WeakPolarHBondContact O-CA 3.48Å; G92-G94 PolarHBondContact O-N 2.76Å |
| 93 | E | 65.6 | Low | 78.2 | Confident | 203 Ų | 203 | 86.9 Ų | 86.9 | 95% | 0.949 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -58.7 | 84.6 | 174.4 | -74.4 | -69.1 | 99 | 0 | 0 | 110 | ||
| 94 | G | 59.7 | Low | 77.5 | Confident | 26 Ų | 26 | 81.1 Ų | 81.1 | 27% | 0.268 | 46% | 0.459 | S | S | . | . | trans | -179.6 | 29.3 | -150.3 | 0 | 0 | 0 | 0 | 0 | 114 | R73 G92 P96 | R73-G94 PolarHBondContact NH1-O 2.93Å; G92-G94 WeakPolarHBondContact O-CA 3.48Å; G92-G94 PolarHBondContact O-N 2.76Å; G94-P96 VanDerWaalsContact O-CD 3.27Å; G94-P96 WeakPolarHBondContact O-CD 3.31Å | ||
| 95 | H | 52.9 | Low | 76.8 | Confident | 139 Ų | 139 | 80.1 Ų | 80.1 | 64% | 0.644 | 46% | 0.456 | S | S | * | . | trans | -106.2 | 81.4 | 156.7 | -162.2 | -71 | 0 | 0 | 0 | 110.4 | T97 | H95-T97 WeakPolarHBondContact CE1-CG2 3.43Å; H95-T97 PolarHBondContact ND1-N 2.88Å; H95-T97 PolarHBondContact ND1-OG1 3.23Å; H95-T97 PolarHBondContact O-N 3.15Å; H95-T97 PolarHBondContact O-OG1 3.5Å | ||
| 96 | P | 54.4 | Low | 76.4 | Confident | 117 Ų | 117 | 82 Ų | 82 | 76% | 0.76 | 47% | 0.47 | S | S | * | . | trans | -73.8 | 63.7 | 170.2 | 34.2 | -36.5 | 0 | 0 | 0 | 110.5 | G94 S98 | G94-P96 VanDerWaalsContact O-CD 3.27Å; G94-P96 WeakPolarHBondContact O-CD 3.31Å; P96-S98 PolarHBondContact O-N 3.49Å | ||
| 97 | T | 61.3 | Low | 76 | Confident | 40 Ų | 40 | 82.5 Ų | 82.5 | 25% | 0.245 | 46% | 0.461 | C | S | . | . | trans | -60.7 | 100.5 | 147.9 | 19.4 | 0 | 0 | 0 | 0 | 105.4 | H95 L102 I105 | H95-T97 WeakPolarHBondContact CE1-CG2 3.43Å; H95-T97 PolarHBondContact ND1-N 2.88Å; H95-T97 PolarHBondContact ND1-OG1 3.23Å; H95-T97 PolarHBondContact O-N 3.15Å; H95-T97 PolarHBondContact O-OG1 3.5Å; T97-L102 HydrophobicContact CG2-CG 4.35Å; T97-I105 HydrophobicContact CG2-CD1 3.84Å | ||
| 98 | S | 72.7 | Confident | 75.2 | Confident | 72 Ų | 72 | 82.3 Ų | 82.3 | 50% | 0.503 | 47% | 0.469 | S | S | . | . | trans | -54.2 | 163.9 | 164.9 | 69.3 | 0 | 0 | 0 | 0 | 109.3 | P96 A100 G101 L102 | P96-S98 PolarHBondContact O-N 3.49Å; S98-A100 PolarHBondContact O-N 2.93Å; S98-A100 PolarHBondContact OG-N 3.19Å; S98-G101 WeakPolarHBondContact O-CA 3.34Å; S98-G101 PolarHBondContact O-N 3.04Å; S98-G101 PolarHBondContact OG-N 3.29Å; S98-L102 PolarHBondContact O-N 3.21Å | ||
| 99 | R | 72.9 | Confident | 74.2 | Confident | 230 Ų | 230 | 87.5 Ų | 87.5 | 87% | 0.868 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -52.5 | -29.1 | 173.8 | -175.1 | 174.5 | 171.9 | -176.3 | -3.1 | 112.4 | A103 | R99-A103 VanDerWaalsContact O-CB 3.28Å; R99-A103 WeakPolarHBondContact O-CB 3.36Å; R99-A103 PolarHBondContact O-N 3.48Å |
| 100 | A | 71.4 | Confident | 72.8 | Confident | 67 Ų | 67 | 85.2 Ų | 85.2 | 55% | 0.554 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -73.1 | -38.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S98 A103 A104 | S98-A100 PolarHBondContact O-N 2.93Å; S98-A100 PolarHBondContact OG-N 3.19Å; A100-A103 PolarHBondContact O-N 3.21Å; A100-A104 WeakPolarHBondContact O-CB 3.24Å; A100-A104 PolarHBondContact O-N 2.95Å |
| 101 | G | 81.4 | Confident | 71.1 | Confident | 23 Ų | 23 | 89.8 Ų | 89.8 | 24% | 0.237 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -64.7 | -47 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S98 A103 A104 I105 | S98-G101 WeakPolarHBondContact O-CA 3.34Å; S98-G101 PolarHBondContact O-N 3.04Å; S98-G101 PolarHBondContact OG-N 3.29Å; G101-A103 VanDerWaalsContact C-N 3.34Å; G101-A103 PolarHBondContact O-N 3.49Å; G101-A104 WeakPolarHBondContact O-CB 3.16Å; G101-A104 PolarHBondContact O-N 3.16Å; G101-I105 WeakPolarHBondContact O-CG1 3.41Å; G101-I105 PolarHBondContact O-N 3.16Å; G101-I105 VanDerWaalsContact O-N 3.12Å |
| 102 | L | 78.3 | Confident | 69.6 | Low | 101 Ų | 101 | 89.8 Ų | 89.8 | 53% | 0.529 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -57.5 | -48.7 | 172.2 | -86.6 | 169.8 | 0 | 0 | 0 | 110.6 | T97 S98 A104 I105 S106 | T97-L102 HydrophobicContact CG2-CG 4.35Å; S98-L102 PolarHBondContact O-N 3.21Å; L102-A104 VanDerWaalsContact C-N 3.26Å; L102-A104 PolarHBondContact O-N 3.11Å; L102-I105 PolarHBondContact O-N 3.13Å; L102-I105 VanDerWaalsContact O-N 3.16Å; L102-S106 PolarHBondContact O-N 2.92Å; L102-S106 PolarHBondContact O-OG 2.72Å |
| 103 | A | 82.3 | Confident | 68.6 | Low | 37 Ų | 37 | 93.9 Ų | 93.9 | 31% | 0.306 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.7 | -28.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R99 A100 G101 R107 | R99-A103 VanDerWaalsContact O-CB 3.28Å; R99-A103 WeakPolarHBondContact O-CB 3.36Å; R99-A103 PolarHBondContact O-N 3.48Å; A100-A103 PolarHBondContact O-N 3.21Å; G101-A103 VanDerWaalsContact C-N 3.34Å; G101-A103 PolarHBondContact O-N 3.49Å; A103-R107 WeakPolarHBondContact O-CG 3.47Å; A103-R107 PolarHBondContact O-N 3.1Å; A103-R107 VanDerWaalsContact O-N 3.14Å; A103-R107 PolarHBondContact O-NH1 2.79Å; A103-R107 VanDerWaalsContact O-NH1 3.12Å |
| 104 | A | 78.2 | Confident | 67.7 | Low | 44 Ų | 44 | 89.8 Ų | 89.8 | 36% | 0.364 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.8 | -44.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A100 G101 L102 R107 A108 | A100-A104 WeakPolarHBondContact O-CB 3.24Å; A100-A104 PolarHBondContact O-N 2.95Å; G101-A104 WeakPolarHBondContact O-CB 3.16Å; G101-A104 PolarHBondContact O-N 3.16Å; L102-A104 VanDerWaalsContact C-N 3.26Å; L102-A104 PolarHBondContact O-N 3.11Å; A104-R107 PolarHBondContact O-N 3.44Å; A104-A108 PolarHBondContact O-N 3.23Å |
| 105 | I | 78.9 | Confident | 67.3 | Low | 82 Ų | 82 | 94.9 Ų | 94.9 | 42% | 0.421 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.1 | -44.8 | 176 | -63.4 | 167.8 | 0 | 0 | 0 | 110.5 | T97 G101 L102 R107 A108 Q109 | T97-I105 HydrophobicContact CG2-CD1 3.84Å; G101-I105 WeakPolarHBondContact O-CG1 3.41Å; G101-I105 PolarHBondContact O-N 3.16Å; G101-I105 VanDerWaalsContact O-N 3.12Å; L102-I105 PolarHBondContact O-N 3.13Å; L102-I105 VanDerWaalsContact O-N 3.16Å; I105-R107 VanDerWaalsContact C-N 3.32Å; I105-R107 PolarHBondContact O-N 3.41Å; I105-A108 PolarHBondContact O-N 2.88Å; I105-A108 VanDerWaalsContact O-N 3.11Å; I105-Q109 HydrophobicContact CG2-CG 4.46Å; I105-Q109 WeakPolarHBondContact O-CG 3.21Å; I105-Q109 PolarHBondContact O-N 2.95Å |
| 106 | S | 81.9 | Confident | 66.8 | Low | 69 Ų | 69 | 94 Ų | 94 | 48% | 0.483 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61.6 | -36.4 | 176.8 | -54.4 | 0 | 0 | 0 | 0 | 113.1 | L102 Q109 A110 | L102-S106 PolarHBondContact O-N 2.92Å; L102-S106 PolarHBondContact O-OG 2.72Å; S106-Q109 PolarHBondContact O-N 3.47Å; S106-A110 PolarHBondContact O-N 2.88Å; S106-A110 VanDerWaalsContact O-N 3.11Å |
| 107 | R | 81.2 | Confident | 66.5 | Low | 161 Ų | 161 | 95 Ų | 95 | 61% | 0.608 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -68.5 | -38.9 | 172.7 | -73.4 | -173.2 | -55.6 | -88.4 | 3 | 112.4 | A103 A104 I105 Q109 A110 | A103-R107 WeakPolarHBondContact O-CG 3.47Å; A103-R107 PolarHBondContact O-N 3.1Å; A103-R107 VanDerWaalsContact O-N 3.14Å; A103-R107 PolarHBondContact O-NH1 2.79Å; A103-R107 VanDerWaalsContact O-NH1 3.12Å; A104-R107 PolarHBondContact O-N 3.44Å; I105-R107 VanDerWaalsContact C-N 3.32Å; I105-R107 PolarHBondContact O-N 3.41Å; R107-Q109 VanDerWaalsContact C-N 3.3Å; R107-Q109 PolarHBondContact O-N 3.34Å; R107-A110 PolarHBondContact O-N 2.9Å |
| 108 | A | 74.1 | Confident | 65.7 | Low | 63 Ų | 63 | 99 Ų | 99 | 52% | 0.521 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -68.3 | -27.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | A104 I105 V111 | A104-A108 PolarHBondContact O-N 3.23Å; I105-A108 PolarHBondContact O-N 2.88Å; I105-A108 VanDerWaalsContact O-N 3.11Å; A108-V111 WeakPolarHBondContact O-CG2 3.39Å |
| 109 | Q | 70.7 | Confident | 64.2 | Low | 123 Ų | 123 | 100.8 Ų | 100.8 | 58% | 0.575 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -77.9 | -34.5 | 173.4 | -72.5 | 170.8 | -23.4 | 0 | 0 | 112.3 | I105 S106 R107 V111 A112 | I105-Q109 HydrophobicContact CG2-CG 4.46Å; I105-Q109 WeakPolarHBondContact O-CG 3.21Å; I105-Q109 PolarHBondContact O-N 2.95Å; S106-Q109 PolarHBondContact O-N 3.47Å; R107-Q109 VanDerWaalsContact C-N 3.3Å; R107-Q109 PolarHBondContact O-N 3.34Å; Q109-V111 VanDerWaalsContact C-N 3.27Å; Q109-V111 PolarHBondContact O-N 3.42Å; Q109-A112 PolarHBondContact O-N 2.85Å |
| 110 | A | 60.1 | Low | 63.2 | Low | 67 Ų | 67 | 96 Ų | 96 | 55% | 0.554 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -61.1 | -31.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.7 | S106 R107 A112 | S106-A110 PolarHBondContact O-N 2.88Å; S106-A110 VanDerWaalsContact O-N 3.11Å; R107-A110 PolarHBondContact O-N 2.9Å; A110-A112 VanDerWaalsContact C-N 3.26Å; A110-A112 PolarHBondContact O-N 2.84Å |
| 111 | V | 53.8 | Low | 61.7 | Low | 130 Ų | 130 | 98.4 Ų | 98.4 | 79% | 0.788 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -7.6 | 176.1 | -62.4 | 0 | 0 | 0 | 0 | 114 | A108 Q109 | A108-V111 WeakPolarHBondContact O-CG2 3.39Å; Q109-V111 VanDerWaalsContact C-N 3.27Å; Q109-V111 PolarHBondContact O-N 3.42Å |
| 112 | A | 54.2 | Low | 60.3 | Low | 79 Ų | 79 | 106.6 Ų | 106.6 | 65% | 0.653 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | 7.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q109 A110 | Q109-A112 PolarHBondContact O-N 2.85Å; A110-A112 VanDerWaalsContact C-N 3.26Å; A110-A112 PolarHBondContact O-N 2.84Å |
| 113 | S | 55.4 | Low | 58.1 | Low | 99 Ų | 99 | 108.3 Ų | 108.3 | 69% | 0.692 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -148.1 | 35.4 | -168 | -65.1 | 0 | 0 | 0 | 0 | 116.7 | ||
| 114 | T | 45.2 | Very low | 56.4 | Low | 117 Ų | 117 | 114.4 Ų | 114.4 | 72% | 0.718 | 70% | 0.699 | S | S | * | * | trans | -154.2 | 120.4 | 156.6 | 12.4 | 0 | 0 | 0 | 0 | 112.3 | T116 | T114-T116 PolarHBondContact O-N 3.14Š| ||
| 115 | S | 52.4 | Low | 55 | Low | 132 Ų | 132 | 118.1 Ų | 118.1 | 92% | 0.923 | 72% | 0.719 | S | S | * | * | trans | -95.5 | 71.4 | 169.3 | -63.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 116 | T | 42.9 | Very low | 53 | Low | 122 Ų | 122 | 119.4 Ų | 119.4 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | trans | -150.7 | 140.5 | 172.3 | 1 | 0 | 0 | 0 | 0 | 113.3 | T114 | T114-T116 PolarHBondContact O-N 3.14Š| ||
| 117 | V | 46.4 | Very low | 51.1 | Low | 136 Ų | 136 | 121.8 Ų | 121.8 | 82% | 0.824 | 75% | 0.751 | S | S | * | * | trans | -72.7 | 163.1 | -177.9 | -101.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 118 | P | 46.1 | Very low | 48.9 | Very low | 126 Ų | 126 | 121.1 Ų | 121.1 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | cis | -145.2 | -168.8 | 44.8 | 42.3 | -20.5 | 0 | 0 | 0 | 118.4 | ||||
| 119 | S | 39.8 | Very low | 47.2 | Very low | 108 Ų | 108 | 123.5 Ų | 123.5 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | -64.9 | 154.6 | -167.2 | -46 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 120 | P | 51.7 | Low | 46.5 | Very low | 130 Ų | 130 | 123 Ų | 123 | 84% | 0.844 | 79% | 0.785 | S | S | * | * | trans | -84.9 | 137 | 172.2 | 34 | -33.3 | 0 | 0 | 0 | 112.9 | ||||
| 121 | S | 40.3 | Very low | 45.4 | Very low | 117 Ų | 117 | 125.1 Ų | 125.1 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -117.8 | 127.6 | 167.9 | -77.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 122 | Q | 52.2 | Low | 44.7 | Very low | 195 Ų | 195 | 130.8 Ų | 130.8 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | trans | -27.9 | 129.8 | 177 | -54.4 | 165.8 | 47.1 | 0 | 0 | 117.1 | ||||
| 123 | T | 32.6 | Very low | 44 | Very low | 138 Ų | 138 | 131.1 Ų | 131.1 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | trans | -153.8 | 131.3 | 137.8 | -24.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 124 | M | 46.7 | Very low | 43.1 | Very low | 165 Ų | 165 | 132.8 Ų | 132.8 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | trans | -93.1 | 151 | 164.5 | -70.9 | -82.3 | -74.8 | 0 | 0 | 109.2 | ||||
| 125 | P | 49 | Very low | 42.6 | Very low | 122 Ų | 122 | 133.6 Ų | 133.6 | 79% | 0.792 | 82% | 0.817 | S | S | * | * | trans | -124.8 | 147.7 | 139.8 | 35.1 | -27.6 | 0 | 0 | 0 | 112.1 | ||||
| 126 | S | 36.5 | Very low | 42.3 | Very low | 109 Ų | 109 | 138.7 Ų | 138.7 | 76% | 0.762 | 82% | 0.816 | S | S | * | * | trans | -89 | 171 | -173.4 | -61.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 127 | C | 42.4 | Very low | 41.8 | Very low | 119 Ų | 119 | 138.1 Ų | 138.1 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -55.2 | 154.1 | -174.3 | 52.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 128 | T | 34.5 | Very low | 41.7 | Very low | 146 Ų | 146 | 137.8 Ų | 137.8 | 90% | 0.896 | 82% | 0.817 | S | S | * | * | trans | -141.4 | 148.8 | 138.5 | 23.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 129 | S | 38 | Very low | 41.3 | Very low | 113 Ų | 113 | 136.1 Ų | 136.1 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | trans | -87.2 | -168.7 | -168.2 | -38.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 130 | P | 55.8 | Low | 41.6 | Very low | 113 Ų | 113 | 143.4 Ų | 143.4 | 73% | 0.734 | 82% | 0.82 | S | S | * | * | cis | -136.7 | 170.3 | -10 | 40.7 | -24.9 | 0 | 0 | 0 | 115.6 | ||||
| 131 | S | 36.7 | Very low | 41 | Very low | 111 Ų | 111 | 142.9 Ų | 142.9 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | 167.8 | 123 | 123.9 | -79.4 | 0 | 0 | 0 | 0 | 116 | |||||
| 132 | R | 39.3 | Very low | 41.3 | Very low | 249 Ų | 249 | 141.4 Ų | 141.4 | 94% | 0.94 | 81% | 0.81 | S | S | * | * | 41.5 | 134.9 | 126.6 | -167.9 | 156.1 | 149.6 | -111.6 | 2.1 | 121.2 | |||||
| 133 | A | 39.2 | Very low | 41.1 | Very low | 87 Ų | 87 | 137.5 Ų | 137.5 | 72% | 0.719 | 80% | 0.801 | S | S | * | * | trans | -87.5 | -174.3 | -168.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 134 | T | 37.7 | Very low | 41.7 | Very low | 133 Ų | 133 | 136 Ų | 136 | 82% | 0.816 | 79% | 0.793 | S | S | * | * | trans | 96.1 | 129.3 | -178.1 | -39.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 135 | T | 34.3 | Very low | 41.7 | Very low | 135 Ų | 135 | 135 Ų | 135 | 83% | 0.828 | 80% | 0.797 | S | S | * | * | cis | -131.9 | 166.3 | 12.4 | -23.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 136 | R | 45.5 | Very low | 41.7 | Very low | 239 Ų | 239 | 135.4 Ų | 135.4 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | trans | -104.4 | 134.7 | 179.5 | -152.8 | 170.4 | 71.5 | -150 | 4 | 111 | ||||
| 137 | S | 34.2 | Very low | 42.4 | Very low | 110 Ų | 110 | 134.9 Ų | 134.9 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -156.5 | 137.7 | 166 | -73.7 | 0 | 0 | 0 | 0 | 108.9 | S139 | S137-S139 PolarHBondContact O-N 2.84Š| ||
| 138 | P | 43.1 | Very low | 42.8 | Very low | 128 Ų | 128 | 136.4 Ų | 136.4 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | trans | -81 | 120.5 | -169.2 | 30.6 | -33.6 | 0 | 0 | 0 | 112.1 | ||||
| 139 | S | 38 | Very low | 43.4 | Very low | 92 Ų | 92 | 138.4 Ų | 138.4 | 64% | 0.643 | 79% | 0.792 | S | S | * | * | trans | -88 | 141.8 | 159.2 | 50.8 | 0 | 0 | 0 | 0 | 109.7 | S137 T141 | S137-S139 PolarHBondContact O-N 2.84Å; S139-T141 VanDerWaalsContact C-N 3.3Å; S139-T141 PolarHBondContact O-N 2.8Å | ||
| 140 | W | 46.7 | Very low | 44.4 | Very low | 261 Ų | 261 | 141.2 Ų | 141.2 | 99% | 0.989 | 80% | 0.798 | S | S | * | * | trans | -74.8 | 83.9 | 171 | -78.5 | 62.5 | 0 | 0 | 0 | 109.5 | A142 | W140-A142 PolarHBondContact O-N 3.42Š| ||
| 141 | T | 37.7 | Very low | 44.4 | Very low | 119 Ų | 119 | 139.3 Ų | 139.3 | 73% | 0.73 | 80% | 0.799 | S | S | * | * | trans | -77.2 | 107.2 | 169.1 | 47.2 | 0 | 0 | 0 | 0 | 109.7 | S139 | S139-T141 VanDerWaalsContact C-N 3.3Å; S139-T141 PolarHBondContact O-N 2.8Å | ||
| 142 | A | 47.6 | Very low | 45.1 | Very low | 86 Ų | 86 | 139 Ų | 139 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 144.1 | 158 | 0 | 0 | 0 | 0 | 0 | 109.4 | W140 | W140-A142 PolarHBondContact O-N 3.42Š|
| 143 | P | 47.1 | Very low | 46.6 | Very low | 112 Ų | 112 | 130.4 Ų | 130.4 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 148 | 178.4 | 26.6 | -34.5 | 0 | 0 | 0 | 110.5 | V145 | P143-V145 PolarHBondContact O-N 2.85Š|
| 144 | P | 45.5 | Very low | 48.5 | Very low | 106 Ų | 106 | 134.9 Ų | 134.9 | 69% | 0.688 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 127.9 | 176.6 | 27.3 | -33.6 | 0 | 0 | 0 | 109.6 | I146 | P144-I146 HydrophobicContact CG-CG1 4.41Å; P144-I146 PolarHBondContact O-N 2.77Å |
| 145 | V | 47.1 | Very low | 50.4 | Low | 146 Ų | 146 | 133.9 Ų | 133.9 | 89% | 0.885 | 76% | 0.762 | S | S | * | * | trans | -68.5 | 85.5 | 167.7 | -77.6 | 0 | 0 | 0 | 0 | 109.2 | P143 A147 | P143-V145 PolarHBondContact O-N 2.85Å; V145-A147 PolarHBondContact O-N 3.32Å | ||
| 146 | I | 48.7 | Very low | 52.6 | Low | 129 Ų | 129 | 131.2 Ų | 131.2 | 66% | 0.662 | 74% | 0.74 | S | S | * | * | trans | -66.7 | 105.8 | 174.2 | -65.7 | 167.5 | 0 | 0 | 0 | 107.5 | P144 L148 | P144-I146 HydrophobicContact CG-CG1 4.41Å; P144-I146 PolarHBondContact O-N 2.77Å; I146-L148 HydrophobicContact CG2-CD1 3.64Å; I146-L148 PolarHBondContact O-N 3.35Å | ||
| 147 | A | 52.4 | Low | 54.2 | Low | 99 Ų | 99 | 122.2 Ų | 122.2 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | trans | -69.9 | 95.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | V145 | V145-A147 PolarHBondContact O-N 3.32Š| ||
| 148 | L | 48.9 | Very low | 56.6 | Low | 151 Ų | 151 | 122 Ų | 122 | 79% | 0.791 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 145.6 | 164.6 | -119.6 | 73.5 | 0 | 0 | 0 | 110 | I146 | I146-L148 HydrophobicContact CG2-CD1 3.64Å; I146-L148 PolarHBondContact O-N 3.35Å |
| 149 | Q | 47.8 | Very low | 58.6 | Low | 187 Ų | 187 | 121 Ų | 121 | 87% | 0.874 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 152.3 | -172.1 | -67.9 | 149.3 | -90.1 | 0 | 0 | 112.2 | ||
| 150 | N | 58.9 | Low | 60.6 | Low | 172 Ų | 172 | 121.2 Ų | 121.2 | 92% | 0.92 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -49.9 | 137.4 | -176.9 | -55.9 | 23.4 | 0 | 0 | 0 | 112.8 | ||
| 151 | G | 55.6 | Low | 62.3 | Low | 73 Ų | 73 | 111.1 Ų | 111.1 | 75% | 0.753 | 65% | 0.649 | S | S | * | * | trans | -171.6 | -7.6 | 175 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 152 | L | 50.8 | Low | 64.3 | Low | 106 Ų | 106 | 110.2 Ų | 110.2 | 56% | 0.555 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -114.9 | 144.4 | 179.4 | -54.6 | -178.9 | 0 | 0 | 0 | 109.8 | R160 | L152-R160 VanDerWaalsContact CD1-NH2 3.27Š|
| 153 | S | 72 | Confident | 65.8 | Low | 67 Ų | 67 | 110.9 Ų | 110.9 | 47% | 0.469 | 63% | 0.628 | S | S | . | * | trans | -73.6 | 157.1 | 169.8 | 63.6 | 0 | 0 | 0 | 0 | 110.7 | D155 E156 A157 | S153-D155 PolarHBondContact O-N 2.98Å; S153-E156 PolarHBondContact O-N 3.33Å; S153-E156 VanDerWaalsContact O-N 3.17Å; S153-E156 WeakPolarHBondContact OG-CB 3.32Å; S153-E156 PolarHBondContact OG-N 3.18Å; S153-A157 PolarHBondContact O-N 2.87Å | ||
| 154 | E | 78.3 | Confident | 66.8 | Low | 181 Ų | 181 | 112 Ų | 112 | 85% | 0.846 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -55.9 | -39 | 177.4 | -170.7 | 173.1 | 112 | 0 | 0 | 111.7 | A157 L158 | E154-A157 PolarHBondContact O-N 3.09Å; E154-L158 WeakPolarHBondContact O-CB 3.36Å; E154-L158 PolarHBondContact O-N 2.99Å |
| 155 | D | 78.4 | Confident | 68.2 | Low | 113 Ų | 113 | 110.9 Ų | 110.9 | 60% | 0.604 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -65.8 | -42.4 | 177.1 | -163.1 | 55.5 | 0 | 0 | 0 | 112.5 | S153 A157 L158 Q159 | S153-D155 PolarHBondContact O-N 2.98Å; D155-A157 VanDerWaalsContact C-N 3.32Å; D155-A157 PolarHBondContact O-N 3.46Å; D155-L158 PolarHBondContact O-N 2.81Å; D155-Q159 WeakPolarHBondContact O-CB 3.35Å; D155-Q159 PolarHBondContact O-N 3.04Å |
| 156 | E | 80 | Confident | 69.2 | Low | 79 Ų | 79 | 109.8 Ų | 109.8 | 37% | 0.369 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -71.3 | -28.5 | 177.7 | -156.6 | -166.6 | 160.4 | 0 | 0 | 112.2 | S153 R160 | S153-E156 PolarHBondContact O-N 3.33Å; S153-E156 VanDerWaalsContact O-N 3.17Å; S153-E156 WeakPolarHBondContact OG-CB 3.32Å; S153-E156 PolarHBondContact OG-N 3.18Å; E156-R160 WeakPolarHBondContact O-CB 3.18Å; E156-R160 PolarHBondContact O-N 3.01Å; E156-R160 IonicContact OE1-CZ 3.72Å; E156-R160 IonicContact OE1-NH1 2.7Å; E156-R160 PolarHBondContact OE1-NH1 3.2Å; E156-R160 IonicContact OE1-NH2 3.81Å; E156-R160 PolarHBondContact OE1-NH2 3.02Å; E156-R160 IonicContact OE2-NH2 3.16Å |
| 157 | A | 79.3 | Confident | 69.6 | Low | 49 Ų | 49 | 107.1 Ų | 107.1 | 41% | 0.405 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -73.2 | -41.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S153 E154 D155 A161 | S153-A157 PolarHBondContact O-N 2.87Å; E154-A157 PolarHBondContact O-N 3.09Å; D155-A157 VanDerWaalsContact C-N 3.32Å; D155-A157 PolarHBondContact O-N 3.46Å; A157-A161 WeakPolarHBondContact O-CB 3.32Å; A157-A161 PolarHBondContact O-N 2.88Å |
| 158 | L | 85.4 | Confident | 69.5 | Low | 105 Ų | 105 | 110.6 Ų | 110.6 | 55% | 0.55 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65.3 | -46 | 176.8 | -170.2 | 76.4 | 0 | 0 | 0 | 111.4 | E154 D155 R160 A161 L162 | E154-L158 WeakPolarHBondContact O-CB 3.36Å; E154-L158 PolarHBondContact O-N 2.99Å; D155-L158 PolarHBondContact O-N 2.81Å; L158-R160 PolarHBondContact O-N 2.94Å; L158-A161 WeakPolarHBondContact O-CB 3.29Å; L158-A161 PolarHBondContact O-N 2.95Å; L158-L162 HydrophobicContact CG-CD1 4.37Å; L158-L162 WeakPolarHBondContact O-CG 3.46Å; L158-L162 PolarHBondContact O-N 3.45Å |
| 159 | Q | 84.6 | Confident | 69.9 | Low | 109 Ų | 109 | 109 Ų | 109 | 51% | 0.509 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -63.8 | -42 | 178.5 | -171.5 | 173.8 | -34.8 | 0 | 0 | 111.1 | D155 A161 L162 E163 | D155-Q159 WeakPolarHBondContact O-CB 3.35Å; D155-Q159 PolarHBondContact O-N 3.04Å; Q159-A161 PolarHBondContact O-N 3.29Å; Q159-L162 PolarHBondContact O-N 3.23Å; Q159-E163 PolarHBondContact NE2-OE1 3.14Å; Q159-E163 VanDerWaalsContact NE2-OE1 3.11Å; Q159-E163 WeakPolarHBondContact O-CB 3.26Å; Q159-E163 VanDerWaalsContact O-CG 3.31Å; Q159-E163 WeakPolarHBondContact O-CG 3.34Å; Q159-E163 PolarHBondContact O-N 3.5Å |
| 160 | R | 79.3 | Confident | 69.5 | Low | 95 Ų | 95 | 108.5 Ų | 108.5 | 36% | 0.358 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66.1 | -33.9 | 172.3 | -84.2 | -164.3 | -80.3 | -87.7 | 7.2 | 113.7 | L152 E156 L158 E163 M164 | L152-R160 VanDerWaalsContact CD1-NH2 3.27Å; E156-R160 WeakPolarHBondContact O-CB 3.18Å; E156-R160 PolarHBondContact O-N 3.01Å; E156-R160 IonicContact OE1-CZ 3.72Å; E156-R160 IonicContact OE1-NH1 2.7Å; E156-R160 PolarHBondContact OE1-NH1 3.2Å; E156-R160 IonicContact OE1-NH2 3.81Å; E156-R160 PolarHBondContact OE1-NH2 3.02Å; E156-R160 IonicContact OE2-NH2 3.16Å; L158-R160 PolarHBondContact O-N 2.94Å; R160-E163 PolarHBondContact O-N 2.94Å; R160-M164 WeakPolarHBondContact O-CB 3.17Å; R160-M164 VanDerWaalsContact O-CG 3.25Å; R160-M164 WeakPolarHBondContact O-CG 3.27Å; R160-M164 PolarHBondContact O-N 2.98Å |
| 161 | A | 81.9 | Confident | 68.9 | Low | 49 Ų | 49 | 106.2 Ų | 106.2 | 41% | 0.405 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64 | -42.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | A157 L158 Q159 M164 S165 | A157-A161 WeakPolarHBondContact O-CB 3.32Å; A157-A161 PolarHBondContact O-N 2.88Å; L158-A161 WeakPolarHBondContact O-CB 3.29Å; L158-A161 PolarHBondContact O-N 2.95Å; Q159-A161 PolarHBondContact O-N 3.29Å; A161-M164 PolarHBondContact O-N 3.49Å; A161-S165 PolarHBondContact O-N 2.68Å; A161-S165 PolarHBondContact O-OG 3.04Å; A161-S165 VanDerWaalsContact O-OG 3.13Å |
| 162 | L | 81.3 | Confident | 68 | Low | 101 Ų | 101 | 111.6 Ų | 111.6 | 53% | 0.529 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.8 | -42 | 174.7 | -68.4 | 168.6 | 0 | 0 | 0 | 112.1 | L158 Q159 M164 S165 L166 | L158-L162 HydrophobicContact CG-CD1 4.37Å; L158-L162 WeakPolarHBondContact O-CG 3.46Å; L158-L162 PolarHBondContact O-N 3.45Å; Q159-L162 PolarHBondContact O-N 3.23Å; L162-M164 VanDerWaalsContact C-N 3.33Å; L162-M164 PolarHBondContact O-N 2.81Å; L162-S165 PolarHBondContact O-N 2.47Å; L162-L166 WeakPolarHBondContact O-CB 3.45Å; L162-L166 VanDerWaalsContact O-CG 3.3Å; L162-L166 WeakPolarHBondContact O-CG 3.36Å; L162-L166 PolarHBondContact O-N 3.33Å |
| 163 | E | 78.8 | Confident | 67.9 | Low | 100 Ų | 100 | 112.7 Ų | 112.7 | 47% | 0.467 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -62.5 | -38.4 | 174 | -74.2 | 169.4 | 177.9 | 0 | 0 | 111.7 | Q159 R160 L166 A167 | Q159-E163 PolarHBondContact NE2-OE1 3.14Å; Q159-E163 VanDerWaalsContact NE2-OE1 3.11Å; Q159-E163 WeakPolarHBondContact O-CB 3.26Å; Q159-E163 VanDerWaalsContact O-CG 3.31Å; Q159-E163 WeakPolarHBondContact O-CG 3.34Å; Q159-E163 PolarHBondContact O-N 3.5Å; R160-E163 PolarHBondContact O-N 2.94Å; E163-L166 PolarHBondContact O-N 2.17Å; E163-A167 VanDerWaalsContact O-CB 3.26Å; E163-A167 WeakPolarHBondContact O-CB 3.37Å; E163-A167 PolarHBondContact O-N 3.1Å |
| 164 | M | 66.8 | Low | 66.8 | Low | 135 Ų | 135 | 113.3 Ų | 113.3 | 67% | 0.665 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.1 | -47.2 | 172.8 | -74.5 | 174.5 | 65 | 0 | 0 | 111.8 | R160 A161 L162 L166 A167 E168 | R160-M164 WeakPolarHBondContact O-CB 3.17Å; R160-M164 VanDerWaalsContact O-CG 3.25Å; R160-M164 WeakPolarHBondContact O-CG 3.27Å; R160-M164 PolarHBondContact O-N 2.98Å; A161-M164 PolarHBondContact O-N 3.49Å; L162-M164 VanDerWaalsContact C-N 3.33Å; L162-M164 PolarHBondContact O-N 2.81Å; M164-L166 PolarHBondContact O-N 2.99Å; M164-A167 PolarHBondContact O-N 2.17Å; M164-A167 VanDerWaalsContact O-N 3.14Å; M164-E168 PolarHBondContact O-N 2.49Å; M164-E168 VanDerWaalsContact O-N 3.08Å |
| 165 | S | 76.1 | Confident | 65.5 | Low | 83 Ų | 83 | 107.8 Ų | 107.8 | 58% | 0.58 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -61.4 | -28.7 | 175.6 | -60.9 | 0 | 0 | 0 | 0 | 113.5 | A161 L162 | A161-S165 PolarHBondContact O-N 2.68Å; A161-S165 PolarHBondContact O-OG 3.04Å; A161-S165 VanDerWaalsContact O-OG 3.13Å; L162-S165 PolarHBondContact O-N 2.47Å |
| 166 | L | 67.5 | Low | 64.6 | Low | 122 Ų | 122 | 107.6 Ų | 107.6 | 64% | 0.639 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -83.7 | -31.5 | 174.2 | -69.6 | 170.1 | 0 | 0 | 0 | 112.6 | L162 E163 M164 E168 T169 | L162-L166 WeakPolarHBondContact O-CB 3.45Å; L162-L166 VanDerWaalsContact O-CG 3.3Å; L162-L166 WeakPolarHBondContact O-CG 3.36Å; L162-L166 PolarHBondContact O-N 3.33Å; E163-L166 PolarHBondContact O-N 2.17Å; M164-L166 PolarHBondContact O-N 2.99Å; L166-E168 VanDerWaalsContact C-N 3.28Å; L166-E168 PolarHBondContact O-N 3.24Å; L166-T169 WeakPolarHBondContact O-CB 3.5Å; L166-T169 WeakPolarHBondContact O-CG2 3.5Å; L166-T169 PolarHBondContact O-N 2.16Å; L166-T169 PolarHBondContact O-OG1 2.18Å |
| 167 | A | 56.5 | Low | 63.8 | Low | 73 Ų | 73 | 110.3 Ų | 110.3 | 60% | 0.603 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -68.5 | -27 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E163 M164 T169 | E163-A167 VanDerWaalsContact O-CB 3.26Å; E163-A167 WeakPolarHBondContact O-CB 3.37Å; E163-A167 PolarHBondContact O-N 3.1Å; M164-A167 PolarHBondContact O-N 2.17Å; M164-A167 VanDerWaalsContact O-N 3.14Å; A167-T169 PolarHBondContact O-N 3.31Å |
| 168 | E | 51.4 | Low | 63.9 | Low | 173 Ų | 173 | 113.5 Ų | 113.5 | 81% | 0.808 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -0.9 | 175.2 | -147.8 | 160.3 | 111.9 | 0 | 0 | 113.5 | M164 L166 | M164-E168 PolarHBondContact O-N 2.49Å; M164-E168 VanDerWaalsContact O-N 3.08Å; L166-E168 VanDerWaalsContact C-N 3.28Å; L166-E168 PolarHBondContact O-N 3.24Å |
| 169 | T | 57.8 | Low | 63.8 | Low | 116 Ų | 116 | 114.9 Ų | 114.9 | 71% | 0.712 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | 11.6 | 179.7 | 68.4 | 0 | 0 | 0 | 0 | 115.2 | L166 A167 | L166-T169 WeakPolarHBondContact O-CB 3.5Å; L166-T169 WeakPolarHBondContact O-CG2 3.5Å; L166-T169 PolarHBondContact O-N 2.16Å; L166-T169 PolarHBondContact O-OG1 2.18Å; A167-T169 PolarHBondContact O-N 3.31Å |
| 170 | K | 38.4 | Very low | 63.7 | Low | 177 Ų | 177 | 117 Ų | 117 | 77% | 0.77 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -135.2 | 130.5 | 178.9 | -157.5 | 161.9 | -174 | 171.7 | 0 | 111.7 | ||
| 171 | P | 46.3 | Very low | 64.2 | Low | 125 Ų | 125 | 117 Ų | 117 | 81% | 0.812 | 64% | 0.637 | S | S | * | * | trans | -77.8 | 132.9 | -143.9 | 27.3 | -36.4 | 0 | 0 | 0 | 114.7 | ||||
| 172 | Q | 36.9 | Very low | 64.7 | Low | 186 Ų | 186 | 119 Ų | 119 | 87% | 0.869 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -118.5 | 83.2 | 163.3 | -71.3 | -151.5 | -29.5 | 0 | 0 | 111.1 | ||
| 173 | V | 49.5 | Very low | 65.2 | Low | 128 Ų | 128 | 116.9 Ų | 116.9 | 78% | 0.776 | 64% | 0.638 | S | S | * | * | trans | 65.5 | 128.2 | 172.8 | -159.4 | 0 | 0 | 0 | 0 | 113.9 | S175 | V173-S175 PolarHBondContact O-N 3.2Å; V173-S175 VanDerWaalsContact O-N 3.1Å | ||
| 174 | P | 47.4 | Very low | 66 | Low | 81 Ų | 81 | 117 Ų | 117 | 53% | 0.526 | 64% | 0.64 | S | S | . | * | trans | -56.6 | 120.8 | 168.7 | -22.2 | 33.3 | 0 | 0 | 0 | 109.7 | C176 | P174-C176 PolarHBondContact O-N 3.46Š| ||
| 175 | S | 52.4 | Low | 67.3 | Low | 65 Ų | 65 | 112.9 Ų | 112.9 | 46% | 0.455 | 63% | 0.628 | S | S | . | * | trans | -60.2 | 136 | 160.5 | -179.5 | 0 | 0 | 0 | 0 | 107.1 | V173 Q177 E178 E179 | V173-S175 PolarHBondContact O-N 3.2Å; V173-S175 VanDerWaalsContact O-N 3.1Å; S175-Q177 PolarHBondContact O-N 2.96Å; S175-E178 PolarHBondContact O-N 3.17Å; S175-E179 PolarHBondContact O-N 3.12Å | ||
| 176 | C | 59.2 | Low | 68.2 | Low | 108 Ų | 108 | 115.4 Ų | 115.4 | 73% | 0.73 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -55.9 | -26.9 | 178.4 | 51.1 | 0 | 0 | 0 | 0 | 112.3 | P174 E180 | P174-C176 PolarHBondContact O-N 3.46Å; C176-E180 WeakPolarHBondContact O-CB 3.49Å; C176-E180 PolarHBondContact O-N 3.45Å |
| 177 | Q | 64.1 | Low | 69.6 | Low | 136 Ų | 136 | 112.4 Ų | 112.4 | 64% | 0.636 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -70.6 | -35.3 | 174.5 | -169 | 172.4 | -13.9 | 0 | 0 | 113.4 | S175 E180 D181 | S175-Q177 PolarHBondContact O-N 2.96Å; Q177-E180 PolarHBondContact O-N 3.16Å; Q177-D181 WeakPolarHBondContact O-CB 3.34Å; Q177-D181 PolarHBondContact O-N 3.29Å |
| 178 | E | 80.6 | Confident | 71.4 | Confident | 116 Ų | 116 | 114.4 Ų | 114.4 | 54% | 0.542 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -70.9 | -37.5 | 178.4 | -172.1 | -178.1 | 118.9 | 0 | 0 | 111.5 | S175 E180 L182 | S175-E178 PolarHBondContact O-N 3.17Å; E178-E180 VanDerWaalsContact C-N 3.34Å; E178-L182 HydrophobicContact CG-CD1 4.26Å; E178-L182 VanDerWaalsContact O-CB 3.31Å; E178-L182 WeakPolarHBondContact O-CB 3.39Å; E178-L182 VanDerWaalsContact O-CG 3.26Å; E178-L182 WeakPolarHBondContact O-CG 3.4Å; E178-L182 PolarHBondContact O-N 3.2Å |
| 179 | E | 82.9 | Confident | 73.5 | Confident | 134 Ų | 134 | 110 Ų | 110 | 63% | 0.626 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66.1 | -37.4 | 173.4 | -168.7 | 169.9 | 111.9 | 0 | 0 | 111.6 | S175 A183 | S175-E179 PolarHBondContact O-N 3.12Å; E179-A183 VanDerWaalsContact O-CB 3.3Å; E179-A183 WeakPolarHBondContact O-CB 3.39Å; E179-A183 PolarHBondContact O-N 2.88Å |
| 180 | E | 82.4 | Confident | 75.3 | Confident | 153 Ų | 153 | 107.1 Ų | 107.1 | 72% | 0.715 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -70.2 | -43 | 177.3 | -154.8 | 169.8 | 116.1 | 0 | 0 | 112.2 | C176 Q177 E178 A183 L184 | C176-E180 WeakPolarHBondContact O-CB 3.49Å; C176-E180 PolarHBondContact O-N 3.45Å; Q177-E180 PolarHBondContact O-N 3.16Å; E178-E180 VanDerWaalsContact C-N 3.34Å; E180-A183 PolarHBondContact O-N 3.12Å; E180-L184 WeakPolarHBondContact O-CB 3.33Å; E180-L184 PolarHBondContact O-N 3.33Å |
| 181 | D | 90.9 | Very high | 78 | Confident | 95 Ų | 95 | 102.2 Ų | 102.2 | 51% | 0.508 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64 | -41 | 173.2 | -85.3 | -47 | 0 | 0 | 0 | 112 | Q177 L184 A185 | Q177-D181 WeakPolarHBondContact O-CB 3.34Å; Q177-D181 PolarHBondContact O-N 3.29Å; D181-L184 PolarHBondContact O-N 3.07Å; D181-A185 WeakPolarHBondContact O-CB 3.27Å; D181-A185 PolarHBondContact O-N 3.3Å |
| 182 | L | 91.8 | Very high | 80.4 | Confident | 93 Ų | 93 | 102.1 Ų | 102.1 | 49% | 0.487 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.8 | -40.9 | 174.8 | -77.9 | 170.3 | 0 | 0 | 0 | 112.2 | E178 A185 Q186 | E178-L182 HydrophobicContact CG-CD1 4.26Å; E178-L182 VanDerWaalsContact O-CB 3.31Å; E178-L182 WeakPolarHBondContact O-CB 3.39Å; E178-L182 VanDerWaalsContact O-CG 3.26Å; E178-L182 WeakPolarHBondContact O-CG 3.4Å; E178-L182 PolarHBondContact O-N 3.2Å; L182-A185 PolarHBondContact O-N 3.11Å; L182-Q186 WeakPolarHBondContact O-CG 3.44Å; L182-Q186 PolarHBondContact O-N 2.97Å |
| 183 | A | 91.6 | Very high | 83.1 | Confident | 56 Ų | 56 | 95.3 Ų | 95.3 | 46% | 0.463 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.3 | -41.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E179 E180 Q186 A187 | E179-A183 VanDerWaalsContact O-CB 3.3Å; E179-A183 WeakPolarHBondContact O-CB 3.39Å; E179-A183 PolarHBondContact O-N 2.88Å; E180-A183 PolarHBondContact O-N 3.12Å; A183-Q186 PolarHBondContact O-N 3.29Å; A183-A187 WeakPolarHBondContact O-CB 3.05Å; A183-A187 PolarHBondContact O-N 2.9Å |
| 184 | L | 95.1 | Very high | 85.3 | Confident | 101 Ų | 101 | 94.7 Ų | 94.7 | 53% | 0.529 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.5 | -44.8 | 175 | -179.6 | 59.5 | 0 | 0 | 0 | 111.9 | E180 D181 Q186 A187 L188 | E180-L184 WeakPolarHBondContact O-CB 3.33Å; E180-L184 PolarHBondContact O-N 3.33Å; D181-L184 PolarHBondContact O-N 3.07Å; L184-Q186 VanDerWaalsContact C-N 3.34Å; L184-Q186 PolarHBondContact O-N 3.14Å; L184-A187 PolarHBondContact O-N 2.84Å; L184-L188 HydrophobicContact CD1-CD1 4.33Å; L184-L188 HydrophobicContact CD1-CG 4.33Å; L184-L188 HydrophobicContact CG-CD1 4.24Å; L184-L188 WeakPolarHBondContact O-CG 3.28Å; L184-L188 PolarHBondContact O-N 3.35Å |
| 185 | A | 94.2 | Very high | 87.4 | Confident | 50 Ų | 50 | 97.4 Ų | 97.4 | 41% | 0.413 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.3 | -40.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | D181 L182 S189 | D181-A185 WeakPolarHBondContact O-CB 3.27Å; D181-A185 PolarHBondContact O-N 3.3Å; L182-A185 PolarHBondContact O-N 3.11Å; A185-S189 WeakPolarHBondContact O-CB 3.49Å; A185-S189 PolarHBondContact O-N 2.93Å; A185-S189 PolarHBondContact O-OG 3.13Å |
| 186 | Q | 96 | Very high | 89.3 | Confident | 136 Ų | 136 | 99.5 Ų | 99.5 | 64% | 0.636 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.3 | -42.4 | 174.4 | -72.1 | 178.8 | 20.3 | 0 | 0 | 112.2 | L182 A183 L184 S189 A190 | L182-Q186 WeakPolarHBondContact O-CG 3.44Å; L182-Q186 PolarHBondContact O-N 2.97Å; A183-Q186 PolarHBondContact O-N 3.29Å; L184-Q186 VanDerWaalsContact C-N 3.34Å; L184-Q186 PolarHBondContact O-N 3.14Å; Q186-S189 PolarHBondContact O-N 3.33Å; Q186-A190 WeakPolarHBondContact O-CB 3.32Å; Q186-A190 PolarHBondContact O-N 3.08Å |
| 187 | A | 95.3 | Very high | 90.8 | Very high | 59 Ų | 59 | 102.7 Ų | 102.7 | 49% | 0.488 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63 | -44.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A183 L184 A190 S191 | A183-A187 WeakPolarHBondContact O-CB 3.05Å; A183-A187 PolarHBondContact O-N 2.9Å; L184-A187 PolarHBondContact O-N 2.84Å; A187-A190 PolarHBondContact O-N 3.47Å; A187-S191 WeakPolarHBondContact O-CB 3.42Å; A187-S191 PolarHBondContact O-N 2.83Å |
| 188 | L | 95 | Very high | 91.9 | Very high | 115 Ų | 115 | 101.8 Ų | 101.8 | 60% | 0.602 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.5 | -45.8 | 174.4 | -69.6 | 171.6 | 0 | 0 | 0 | 111.4 | L184 A190 S191 E192 | L184-L188 HydrophobicContact CD1-CD1 4.33Å; L184-L188 HydrophobicContact CD1-CG 4.33Å; L184-L188 HydrophobicContact CG-CD1 4.24Å; L184-L188 WeakPolarHBondContact O-CG 3.28Å; L184-L188 PolarHBondContact O-N 3.35Å; L188-A190 PolarHBondContact O-N 3.14Å; L188-S191 PolarHBondContact O-N 3.27Å; L188-E192 PolarHBondContact O-N 3.06Å |
| 189 | S | 95.9 | Very high | 92.1 | Very high | 81 Ų | 81 | 99.9 Ų | 99.9 | 57% | 0.566 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.8 | -40.8 | 178.8 | -58.2 | 0 | 0 | 0 | 0 | 112.6 | A185 Q186 A193 | A185-S189 WeakPolarHBondContact O-CB 3.49Å; A185-S189 PolarHBondContact O-N 2.93Å; A185-S189 PolarHBondContact O-OG 3.13Å; Q186-S189 PolarHBondContact O-N 3.33Å; S189-A193 WeakPolarHBondContact O-CB 3.5Å; S189-A193 PolarHBondContact O-N 3.47Å; S189-A193 VanDerWaalsContact O-N 3.11Å |
| 190 | A | 95.1 | Very high | 92 | Very high | 55 Ų | 55 | 96.3 Ų | 96.3 | 46% | 0.455 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.3 | -46.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q186 A187 L188 E192 A193 E194 | Q186-A190 WeakPolarHBondContact O-CB 3.32Å; Q186-A190 PolarHBondContact O-N 3.08Å; A187-A190 PolarHBondContact O-N 3.47Å; L188-A190 PolarHBondContact O-N 3.14Å; A190-E192 PolarHBondContact O-N 3.4Å; A190-A193 PolarHBondContact O-N 3.29Å; A190-E194 WeakPolarHBondContact O-CG 3.44Å; A190-E194 PolarHBondContact O-N 3.36Å |
| 191 | S | 96.4 | Very high | 91.8 | Very high | 74 Ų | 74 | 95 Ų | 95 | 52% | 0.517 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.9 | -35.9 | -178.9 | -156.3 | 0 | 0 | 0 | 0 | 112.4 | A187 L188 E194 Y195 | A187-S191 WeakPolarHBondContact O-CB 3.42Å; A187-S191 PolarHBondContact O-N 2.83Å; L188-S191 PolarHBondContact O-N 3.27Å; S191-E194 PolarHBondContact O-N 2.66Å; S191-Y195 WeakPolarHBondContact O-CB 3.35Å; S191-Y195 PolarHBondContact O-N 3Å |
| 192 | E | 96.4 | Very high | 90.7 | Very high | 122 Ų | 122 | 93.5 Ų | 93.5 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.1 | -44.5 | 171.5 | -163.6 | -170.5 | 110.3 | 0 | 0 | 111.5 | L188 A190 E194 Y195 Q196 | L188-E192 PolarHBondContact O-N 3.06Å; A190-E192 PolarHBondContact O-N 3.4Å; E192-E194 VanDerWaalsContact C-N 3.31Å; E192-E194 PolarHBondContact O-N 3.11Å; E192-Y195 PolarHBondContact O-N 3.36Å; E192-Q196 HydrophobicContact CG-CG 4.47Å; E192-Q196 WeakPolarHBondContact O-CB 3.4Å; E192-Q196 WeakPolarHBondContact O-CG 3.26Å; E192-Q196 PolarHBondContact O-N 3.45Å; E192-Q196 PolarHBondContact OE1-NE2 2.85Å |
| 193 | A | 93.5 | Very high | 89.3 | Confident | 44 Ų | 44 | 98.2 Ų | 98.2 | 36% | 0.364 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.8 | -36.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S189 A190 R197 | S189-A193 WeakPolarHBondContact O-CB 3.5Å; S189-A193 PolarHBondContact O-N 3.47Å; S189-A193 VanDerWaalsContact O-N 3.11Å; A190-A193 PolarHBondContact O-N 3.29Å; A193-R197 WeakPolarHBondContact O-CB 3.19Å; A193-R197 VanDerWaalsContact O-CG 3.25Å; A193-R197 WeakPolarHBondContact O-CG 3.4Å; A193-R197 PolarHBondContact O-N 2.94Å |
| 194 | E | 94 | Very high | 87.8 | Confident | 115 Ų | 115 | 100.1 Ų | 100.1 | 54% | 0.537 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.2 | -43.8 | 172 | -71.3 | -172.9 | 144.9 | 0 | 0 | 112.2 | A190 S191 E192 R197 Q198 | A190-E194 WeakPolarHBondContact O-CG 3.44Å; A190-E194 PolarHBondContact O-N 3.36Å; S191-E194 PolarHBondContact O-N 2.66Å; E192-E194 VanDerWaalsContact C-N 3.31Å; E192-E194 PolarHBondContact O-N 3.11Å; E194-R197 WeakPolarHBondContact O-CB 3.41Å; E194-R197 PolarHBondContact O-N 3.04Å; E194-Q198 WeakPolarHBondContact O-CG 3.48Å; E194-Q198 PolarHBondContact O-N 3.48Å |
| 195 | Y | 92.6 | Very high | 86.1 | Confident | 137 Ų | 137 | 99.5 Ų | 99.5 | 54% | 0.537 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 176.3 | -179.5 | -102.6 | 0 | 0 | 0 | 112.2 | S191 E192 R197 Q198 Q199 | S191-Y195 WeakPolarHBondContact O-CB 3.35Å; S191-Y195 PolarHBondContact O-N 3Å; E192-Y195 PolarHBondContact O-N 3.36Å; Y195-R197 VanDerWaalsContact C-N 3.34Å; Y195-R197 PolarHBondContact O-N 2.87Å; Y195-Q198 PolarHBondContact O-N 3.49Å; Y195-Q199 HydrophobicContact CE1-CG 4.11Å; Y195-Q199 PolarHBondContact O-N 3.48Å; Y195-Q199 PolarHBondContact OH-NE2 3.18Å |
| 196 | Q | 91.6 | Very high | 84.5 | Confident | 109 Ų | 109 | 104.7 Ų | 104.7 | 51% | 0.509 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.1 | -41 | 173.3 | -70.8 | -174.5 | 24.2 | 0 | 0 | 111.7 | E192 Q199 A200 | E192-Q196 HydrophobicContact CG-CG 4.47Å; E192-Q196 WeakPolarHBondContact O-CB 3.4Å; E192-Q196 WeakPolarHBondContact O-CG 3.26Å; E192-Q196 PolarHBondContact O-N 3.45Å; E192-Q196 PolarHBondContact OE1-NE2 2.85Å; Q196-Q199 PolarHBondContact O-N 3.31Å; Q196-A200 WeakPolarHBondContact O-CB 3.42Å; Q196-A200 PolarHBondContact O-N 3.43Å |
| 197 | R | 90.7 | Very high | 82.4 | Confident | 175 Ų | 175 | 104 Ų | 104 | 66% | 0.66 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.9 | -41 | 174.3 | -76.7 | 170 | 176.5 | -171.2 | 0.2 | 112.1 | A193 E194 Y195 A200 Q201 | A193-R197 WeakPolarHBondContact O-CB 3.19Å; A193-R197 VanDerWaalsContact O-CG 3.25Å; A193-R197 WeakPolarHBondContact O-CG 3.4Å; A193-R197 PolarHBondContact O-N 2.94Å; E194-R197 WeakPolarHBondContact O-CB 3.41Å; E194-R197 PolarHBondContact O-N 3.04Å; Y195-R197 VanDerWaalsContact C-N 3.34Å; Y195-R197 PolarHBondContact O-N 2.87Å; R197-A200 PolarHBondContact O-N 3.29Å; R197-Q201 WeakPolarHBondContact O-CB 3.46Å; R197-Q201 WeakPolarHBondContact O-CG 3.36Å; R197-Q201 PolarHBondContact O-N 2.86Å |
| 198 | Q | 87.1 | Confident | 80.8 | Confident | 117 Ų | 117 | 107.2 Ų | 107.2 | 55% | 0.547 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.3 | -38 | 175.1 | -68.9 | 175.4 | 40.9 | 0 | 0 | 112.1 | E194 Y195 S202 | E194-Q198 WeakPolarHBondContact O-CG 3.48Å; E194-Q198 PolarHBondContact O-N 3.48Å; Y195-Q198 PolarHBondContact O-N 3.49Å; Q198-S202 WeakPolarHBondContact O-CB 3.36Å; Q198-S202 PolarHBondContact O-N 2.94Å; Q198-S202 PolarHBondContact O-OG 2.92Å |
| 199 | Q | 84.8 | Confident | 79 | Confident | 77 Ų | 77 | 108 Ų | 108 | 36% | 0.36 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.8 | -42.3 | 170.6 | -76.7 | -152.3 | 13.4 | 0 | 0 | 112.4 | Y195 Q196 S202 R203 | Y195-Q199 HydrophobicContact CE1-CG 4.11Å; Y195-Q199 PolarHBondContact O-N 3.48Å; Y195-Q199 PolarHBondContact OH-NE2 3.18Å; Q196-Q199 PolarHBondContact O-N 3.31Å; Q199-S202 WeakPolarHBondContact CA-OG 3.46Å; Q199-S202 PolarHBondContact O-OG 3.45Å; Q199-R203 WeakPolarHBondContact O-CB 3.25Å; Q199-R203 VanDerWaalsContact O-CG 3.28Å; Q199-R203 WeakPolarHBondContact O-CG 3.39Å; Q199-R203 PolarHBondContact O-N 3.39Å |
| 200 | A | 82 | Confident | 77.3 | Confident | 59 Ų | 59 | 109.4 Ų | 109.4 | 49% | 0.488 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.3 | -44.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q196 R197 R203 S204 | Q196-A200 WeakPolarHBondContact O-CB 3.42Å; Q196-A200 PolarHBondContact O-N 3.43Å; R197-A200 PolarHBondContact O-N 3.29Å; A200-R203 PolarHBondContact O-N 3.03Å; A200-S204 PolarHBondContact O-N 2.7Å |
| 201 | Q | 76.7 | Confident | 75.6 | Confident | 125 Ų | 125 | 111.3 Ų | 111.3 | 58% | 0.584 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -62.6 | -48.7 | 176.9 | -74.9 | 176.5 | -3.8 | 0 | 0 | 111.7 | R197 R203 S204 S205 | R197-Q201 WeakPolarHBondContact O-CB 3.46Å; R197-Q201 WeakPolarHBondContact O-CG 3.36Å; R197-Q201 PolarHBondContact O-N 2.86Å; Q201-R203 VanDerWaalsContact C-N 3.27Å; Q201-R203 PolarHBondContact O-N 2.82Å; Q201-S204 WeakPolarHBondContact CA-OG 3.3Å; Q201-S204 CarbonylContact O-C 3.54Å; Q201-S204 WeakPolarHBondContact O-CA 3.31Å; Q201-S204 PolarHBondContact O-N 2.74Å; Q201-S204 PolarHBondContact O-OG 3.21Å; Q201-S205 WeakPolarHBondContact O-CB 3.44Å; Q201-S205 PolarHBondContact O-N 3.5Å; Q201-S205 PolarHBondContact O-OG 3.11Å |
| 202 | S | 67.9 | Low | 73.5 | Confident | 64 Ų | 64 | 115.1 Ų | 115.1 | 45% | 0.448 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -68.9 | -19.3 | 178 | 57.8 | 0 | 0 | 0 | 0 | 114.5 | Q198 Q199 | Q198-S202 WeakPolarHBondContact O-CB 3.36Å; Q198-S202 PolarHBondContact O-N 2.94Å; Q198-S202 PolarHBondContact O-OG 2.92Å; Q199-S202 WeakPolarHBondContact CA-OG 3.46Å; Q199-S202 PolarHBondContact O-OG 3.45Å |
| 203 | R | 63.5 | Low | 71 | Confident | 192 Ų | 192 | 119 Ų | 119 | 73% | 0.725 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -74 | -40.5 | 164.3 | -77.3 | 176.3 | 176.4 | -154.1 | 0.3 | 111.9 | Q199 A200 Q201 | Q199-R203 WeakPolarHBondContact O-CB 3.25Å; Q199-R203 VanDerWaalsContact O-CG 3.28Å; Q199-R203 WeakPolarHBondContact O-CG 3.39Å; Q199-R203 PolarHBondContact O-N 3.39Å; A200-R203 PolarHBondContact O-N 3.03Å; Q201-R203 VanDerWaalsContact C-N 3.27Å; Q201-R203 PolarHBondContact O-N 2.82Å |
| 204 | S | 60.2 | Low | 69.9 | Low | 95 Ų | 95 | 122.7 Ų | 122.7 | 66% | 0.664 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -76.3 | -27.9 | -180 | 73.1 | 0 | 0 | 0 | 0 | 114.4 | A200 Q201 K206 | A200-S204 PolarHBondContact O-N 2.7Å; Q201-S204 WeakPolarHBondContact CA-OG 3.3Å; Q201-S204 CarbonylContact O-C 3.54Å; Q201-S204 WeakPolarHBondContact O-CA 3.31Å; Q201-S204 PolarHBondContact O-N 2.74Å; Q201-S204 PolarHBondContact O-OG 3.21Å; S204-K206 VanDerWaalsContact C-N 3.27Å; S204-K206 PolarHBondContact O-N 3.46Å |
| 205 | S | 59.3 | Low | 68.6 | Low | 88 Ų | 88 | 123.1 Ų | 123.1 | 62% | 0.615 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | 14.4 | -173.3 | 74.1 | 0 | 0 | 0 | 0 | 114.1 | Q201 P207 | Q201-S205 WeakPolarHBondContact O-CB 3.44Å; Q201-S205 PolarHBondContact O-N 3.5Å; Q201-S205 PolarHBondContact O-OG 3.11Å; S205-P207 WeakPolarHBondContact O-CD 3.42Å |
| 206 | K | 59.3 | Low | 67.2 | Low | 160 Ų | 160 | 122.3 Ų | 122.3 | 70% | 0.696 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -86.3 | 109 | 172.4 | -69.9 | -175.9 | 178.6 | -175.6 | 0 | 108.6 | S204 S208 | S204-K206 VanDerWaalsContact C-N 3.27Å; S204-K206 PolarHBondContact O-N 3.46Å; K206-S208 PolarHBondContact O-N 3.17Å |
| 207 | P | 52.2 | Low | 65.8 | Low | 121 Ų | 121 | 123.1 Ų | 123.1 | 79% | 0.786 | 69% | 0.691 | S | S | * | * | trans | -67.3 | 118.2 | -178.3 | 27.4 | -33.8 | 0 | 0 | 0 | 110.2 | S205 N209 | S205-P207 WeakPolarHBondContact O-CD 3.42Å; P207-N209 PolarHBondContact O-N 3.29Å | ||
| 208 | S | 63 | Low | 64.3 | Low | 127 Ų | 127 | 119.9 Ų | 119.9 | 89% | 0.888 | 69% | 0.693 | S | S | * | * | trans | -76.5 | 68.9 | 173.1 | 59.8 | 0 | 0 | 0 | 0 | 110.6 | K206 | K206-S208 PolarHBondContact O-N 3.17Š| ||
| 209 | N | 56.3 | Low | 62.7 | Low | 131 Ų | 131 | 120.1 Ų | 120.1 | 70% | 0.701 | 70% | 0.703 | S | S | * | * | trans | -118.2 | 91 | 174.2 | -163.1 | -3.8 | 0 | 0 | 0 | 110.8 | P207 | P207-N209 PolarHBondContact O-N 3.29Š| ||
| 210 | C | 60.6 | Low | 61.2 | Low | 111 Ų | 111 | 123.1 Ų | 123.1 | 75% | 0.75 | 73% | 0.727 | S | S | * | * | trans | -119.4 | 71.3 | 167.3 | -170.5 | 0 | 0 | 0 | 0 | 107.9 | L212 | C210-L212 PolarHBondContact O-N 3.29Š| ||
| 211 | S | 59.2 | Low | 59.6 | Low | 94 Ų | 94 | 128.1 Ų | 128.1 | 66% | 0.657 | 75% | 0.745 | S | S | * | * | trans | -74.5 | 109 | 169.2 | 55 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 212 | L | 53.6 | Low | 58.1 | Low | 154 Ų | 154 | 128.3 Ų | 128.3 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | trans | -68.4 | 134.4 | 172.7 | -75.9 | 85.4 | 0 | 0 | 0 | 110.5 | C210 | C210-L212 PolarHBondContact O-N 3.29Š| ||
| 213 | C | 42.5 | Very low | 57.2 | Low | 203 Ų | 203 | 134.2 Ų | 134.2 | 100% | 1.372 | 79% | 0.787 | S | S | * | * | trans | -141.8 | 0 | 158.2 | -75 | 0 | 0 | 0 | 0 | 107.6 |
Retrieved 213 of 213 residues in 267.8 ms
(Link to these results)