| 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 | 61.3 | Low | 85.1 | Confident | 229 Ų | 229 | 94.1 Ų | 94.1 | 100% | 1.128 | 46% | 0.457 | S | S | * | . | 0 | 122.5 | 0 | -75.1 | -92.8 | -110.1 | 0 | 0 | 108.4 | Y30 | M1-Y30 PolarHBondContact O-OH 2.95Š| |||
| 2 | R | 76.4 | Confident | 85.9 | Confident | 145 Ų | 145 | 87.3 Ų | 87.3 | 55% | 0.547 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -86.3 | 117.4 | 179.2 | -150.1 | -177.3 | -173 | 176.6 | 4.4 | 110.2 | Y30 I34 S37 | R2-Y30 VanDerWaalsContact CA-OH 3.26Å; R2-Y30 WeakPolarHBondContact CA-OH 3.38Å; R2-Y30 WeakPolarHBondContact CG-OH 3.33Å; R2-I34 HydrophobicContact CG-CD1 3.82Å; R2-I34 HydrophobicContact CG-CG1 4.31Å; R2-S37 VanDerWaalsContact NH2-CB 3.27Å; R2-S37 PolarHBondContact NH2-OG 3.26Å |
| 3 | L | 82.2 | Confident | 86.5 | Confident | 47 Ų | 47 | 85.1 Ų | 85.1 | 25% | 0.246 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -79.3 | 139 | 175.7 | -65.9 | 175.3 | 0 | 0 | 0 | 109.7 | R7 I8 Y27 Y30 I34 | L3-R7 HydrophobicContact CB-CB 4.35Å; L3-R7 HydrophobicContact CD2-CB 4.33Å; L3-I8 HydrophobicContact CB-CD1 4.23Å; L3-I8 HydrophobicContact CB-CG1 3.7Å; L3-I8 HydrophobicContact CD1-CG1 4.35Å; L3-Y27 HydrophobicContact CD1-CD1 4.07Å; L3-Y27 HydrophobicContact CD1-CE1 3.73Å; L3-Y30 HydrophobicContact CB-CE1 4.21Å; L3-I34 WeakPolarHBondContact O-CD1 3.44Å |
| 4 | S | 85.9 | Confident | 87.2 | Confident | 60 Ų | 60 | 83.1 Ų | 83.1 | 42% | 0.42 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 154.6 | 170.3 | 64.5 | 0 | 0 | 0 | 0 | 110.4 | A6 R7 I8 | S4-A6 PolarHBondContact O-N 3.45Å; S4-A6 VanDerWaalsContact O-N 3.11Å; S4-R7 PolarHBondContact O-N 3Å; S4-R7 WeakPolarHBondContact OG-CG 3.47Å; S4-R7 PolarHBondContact OG-N 2.94Å; S4-I8 WeakPolarHBondContact O-CG1 3.3Å; S4-I8 PolarHBondContact O-N 3.16Å |
| 5 | T | 85.5 | Confident | 87.7 | Confident | 48 Ų | 48 | 81 Ų | 81 | 29% | 0.294 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -53.6 | -33.2 | 175.2 | -51.1 | 0 | 0 | 0 | 0 | 112.5 | R9 R31 | T5-R9 WeakPolarHBondContact O-CG 3.45Å; T5-R9 PolarHBondContact O-N 3.4Å; T5-R31 HydrophobicContact CG2-CG 4.16Å |
| 6 | A | 87.5 | Confident | 88.1 | Confident | 47 Ų | 47 | 82.2 Ų | 82.2 | 39% | 0.388 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66.5 | -46.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S4 I8 R9 I10 | S4-A6 PolarHBondContact O-N 3.45Å; S4-A6 VanDerWaalsContact O-N 3.11Å; A6-I8 VanDerWaalsContact C-N 3.35Å; A6-I8 PolarHBondContact O-N 3.03Å; A6-R9 PolarHBondContact O-N 3.4Å; A6-I10 WeakPolarHBondContact O-CG1 3.5Å; A6-I10 PolarHBondContact O-N 2.88Å |
| 7 | R | 90.9 | Very high | 88.5 | Confident | 157 Ų | 157 | 83.6 Ų | 83.6 | 59% | 0.592 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -64.1 | -40.7 | 177.5 | -74.7 | 177.4 | 174.2 | 165.9 | -1.6 | 111.8 | L3 S4 R9 I10 C11 | L3-R7 HydrophobicContact CB-CB 4.35Å; L3-R7 HydrophobicContact CD2-CB 4.33Å; S4-R7 PolarHBondContact O-N 3Å; S4-R7 WeakPolarHBondContact OG-CG 3.47Å; S4-R7 PolarHBondContact OG-N 2.94Å; R7-R9 VanDerWaalsContact C-N 3.34Å; R7-R9 PolarHBondContact O-N 2.89Å; R7-I10 PolarHBondContact O-N 3.27Å; R7-C11 PolarHBondContact O-N 3.04Å; R7-C11 PolarHBondContact O-SG 3.23Å; R7-C11 VanDerWaalsContact O-SG 3.32Å |
| 8 | I | 91.1 | Very high | 89 | Confident | 0 Ų | 0 | 88 Ų | 88 | 0% | 0 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -56.7 | -48.8 | 176.6 | -70.2 | 167.4 | 0 | 0 | 0 | 110.9 | L3 S4 A6 I10 C11 V12 Y27 Y30 R31 I34 | L3-I8 HydrophobicContact CB-CD1 4.23Å; L3-I8 HydrophobicContact CB-CG1 3.7Å; L3-I8 HydrophobicContact CD1-CG1 4.35Å; S4-I8 WeakPolarHBondContact O-CG1 3.3Å; S4-I8 PolarHBondContact O-N 3.16Å; A6-I8 VanDerWaalsContact C-N 3.35Å; A6-I8 PolarHBondContact O-N 3.03Å; I8-I10 VanDerWaalsContact C-N 3.28Å; I8-I10 PolarHBondContact O-N 3.16Å; I8-C11 WeakPolarHBondContact O-CB 3.41Å; I8-C11 PolarHBondContact O-N 3.32Å; I8-C11 VanDerWaalsContact O-N 3.11Å; I8-V12 HydrophobicContact CG2-CG2 4.1Å; I8-V12 VanDerWaalsContact O-CG2 3.29Å; I8-V12 WeakPolarHBondContact O-CG2 3.29Å; I8-V12 PolarHBondContact O-N 2.81Å; I8-Y27 WeakPolarHBondContact CG2-O 3.46Å; I8-Y30 HydrophobicContact CD1-CD1 3.63Å; I8-Y30 HydrophobicContact CD1-CE1 4.05Å; I8-Y30 HydrophobicContact CG1-CD1 4.23Å; I8-R31 HydrophobicContact CD1-CB 3.97Å; I8-R31 HydrophobicContact CD1-CG 4.38Å; I8-R31 HydrophobicContact CG2-CB 3.94Å; I8-R31 HydrophobicContact CG2-CG 4.43Å; I8-I34 HydrophobicContact CD1-CD1 3.73Å |
| 9 | R | 89.8 | Confident | 89.3 | Confident | 147 Ų | 147 | 86.5 Ų | 86.5 | 56% | 0.555 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -57.6 | -40.5 | 178.2 | -73.9 | -176.3 | -72 | 173.6 | -1.4 | 112.8 | T5 A6 R7 A13 | T5-R9 WeakPolarHBondContact O-CG 3.45Å; T5-R9 PolarHBondContact O-N 3.4Å; A6-R9 PolarHBondContact O-N 3.4Å; R7-R9 VanDerWaalsContact C-N 3.34Å; R7-R9 PolarHBondContact O-N 2.89Å; R9-A13 WeakPolarHBondContact O-CB 3.24Å; R9-A13 PolarHBondContact O-N 2.96Å |
| 10 | I | 93.8 | Very high | 89.6 | Confident | 115 Ų | 115 | 85 Ų | 85 | 59% | 0.59 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -65.6 | -43.7 | 177.2 | -64.1 | 167.2 | 0 | 0 | 0 | 110.7 | A6 R7 I8 S14 | A6-I10 WeakPolarHBondContact O-CG1 3.5Å; A6-I10 PolarHBondContact O-N 2.88Å; R7-I10 PolarHBondContact O-N 3.27Å; I8-I10 VanDerWaalsContact C-N 3.28Å; I8-I10 PolarHBondContact O-N 3.16Å; I10-S14 WeakPolarHBondContact O-CB 3.44Å; I10-S14 PolarHBondContact O-N 2.98Å; I10-S14 PolarHBondContact O-OG 3.22Å |
| 11 | C | 92.3 | Very high | 89.8 | Confident | 40 Ų | 40 | 85.5 Ų | 85.5 | 27% | 0.27 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.9 | -48.7 | 176.6 | -67.8 | 0 | 0 | 0 | 0 | 111.5 | R7 I8 A13 S14 K15 Y27 | R7-C11 PolarHBondContact O-N 3.04Å; R7-C11 PolarHBondContact O-SG 3.23Å; R7-C11 VanDerWaalsContact O-SG 3.32Å; I8-C11 WeakPolarHBondContact O-CB 3.41Å; I8-C11 PolarHBondContact O-N 3.32Å; I8-C11 VanDerWaalsContact O-N 3.11Å; C11-A13 PolarHBondContact O-N 3.29Å; C11-S14 WeakPolarHBondContact O-CB 3.45Å; C11-S14 PolarHBondContact O-N 3.48Å; C11-K15 WeakPolarHBondContact O-CB 3.49Å; C11-K15 VanDerWaalsContact O-CG 3.24Å; C11-K15 WeakPolarHBondContact O-CG 3.5Å; C11-K15 PolarHBondContact O-N 3.21Å; C11-Y27 HydrophobicContact CB-CD1 4.27Å; C11-Y27 HydrophobicContact CB-CD2 4.16Å; C11-Y27 HydrophobicContact CB-CE1 4.3Å; C11-Y27 HydrophobicContact CB-CE2 4.2Å; C11-Y27 HydrophobicContact CB-CG 4.25Å |
| 12 | V | 93.9 | Very high | 91.3 | Very high | 12 Ų | 12 | 81.2 Ų | 81.2 | 7% | 0.073 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -55.8 | -52.2 | 177.3 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | I8 S14 K15 I16 A24 Y27 E28 | I8-V12 HydrophobicContact CG2-CG2 4.1Å; I8-V12 VanDerWaalsContact O-CG2 3.29Å; I8-V12 WeakPolarHBondContact O-CG2 3.29Å; I8-V12 PolarHBondContact O-N 2.81Å; V12-S14 VanDerWaalsContact C-N 3.29Å; V12-S14 PolarHBondContact O-N 3.08Å; V12-K15 PolarHBondContact O-N 3.18Å; V12-K15 VanDerWaalsContact O-N 3.08Å; V12-I16 HydrophobicContact CG1-CD1 3.63Å; V12-I16 HydrophobicContact CG1-CG1 4.33Å; V12-I16 WeakPolarHBondContact O-CG1 3.43Å; V12-I16 PolarHBondContact O-N 2.91Å; V12-A24 HydrophobicContact CG1-CB 4.27Å; V12-Y27 VanDerWaalsContact CG2-CB 3.48Å; V12-Y27 HydrophobicContact CG2-CG 4.44Å; V12-E28 HydrophobicContact CG1-CG 4.33Å; V12-E28 HydrophobicContact CG2-CG 4.04Å |
| 13 | A | 94.1 | Very high | 92.1 | Very high | 59 Ų | 59 | 77.1 Ų | 77.1 | 49% | 0.488 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59.1 | -41.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R9 C11 K15 S17 | R9-A13 WeakPolarHBondContact O-CB 3.24Å; R9-A13 PolarHBondContact O-N 2.96Å; C11-A13 PolarHBondContact O-N 3.29Å; A13-K15 VanDerWaalsContact C-N 3.32Å; A13-K15 PolarHBondContact O-N 3.3Å; A13-S17 WeakPolarHBondContact O-CB 3.44Å; A13-S17 PolarHBondContact O-N 3.03Å |
| 14 | S | 95.7 | Very high | 92.6 | Very high | 57 Ų | 57 | 75.1 Ų | 75.1 | 40% | 0.399 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66 | -33.8 | 177.3 | -58.2 | 0 | 0 | 0 | 0 | 112.7 | I10 C11 V12 K18 | I10-S14 WeakPolarHBondContact O-CB 3.44Å; I10-S14 PolarHBondContact O-N 2.98Å; I10-S14 PolarHBondContact O-OG 3.22Å; C11-S14 WeakPolarHBondContact O-CB 3.45Å; C11-S14 PolarHBondContact O-N 3.48Å; V12-S14 VanDerWaalsContact C-N 3.29Å; V12-S14 PolarHBondContact O-N 3.08Å; S14-K18 VanDerWaalsContact O-CG 3.3Å; S14-K18 WeakPolarHBondContact O-CG 3.1Å; S14-K18 PolarHBondContact O-N 3.19Å |
| 15 | K | 94.7 | Very high | 92.9 | Very high | 52 Ų | 52 | 78.5 Ų | 78.5 | 23% | 0.226 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -77 | -43.2 | 179.6 | -71.7 | -66 | -168.8 | 158.5 | 0 | 112.1 | C11 V12 A13 S17 K18 G19 D20 E23 A24 Y27 | C11-K15 WeakPolarHBondContact O-CB 3.49Å; C11-K15 VanDerWaalsContact O-CG 3.24Å; C11-K15 WeakPolarHBondContact O-CG 3.5Å; C11-K15 PolarHBondContact O-N 3.21Å; V12-K15 PolarHBondContact O-N 3.18Å; V12-K15 VanDerWaalsContact O-N 3.08Å; A13-K15 VanDerWaalsContact C-N 3.32Å; A13-K15 PolarHBondContact O-N 3.3Å; K15-S17 VanDerWaalsContact C-N 3.31Å; K15-S17 PolarHBondContact O-N 3.09Å; K15-K18 PolarHBondContact O-N 2.91Å; K15-G19 PolarHBondContact O-N 3.46Å; K15-D20 HydrophobicContact CB-CB 4.5Å; K15-D20 HydrophobicContact CD-CB 4.21Å; K15-D20 IonicContact NZ-OD2 3.04Å; K15-D20 PolarHBondContact NZ-OD2 3.28Å; K15-D20 PolarHBondContact O-N 2.86Å; K15-E23 HydrophobicContact CD-CB 4.27Å; K15-E23 HydrophobicContact CD-CG 3.75Å; K15-E23 VanDerWaalsContact CE-CG 3.45Å; K15-E23 HydrophobicContact CG-CG 4.03Å; K15-A24 HydrophobicContact CB-CB 3.91Å; K15-Y27 HydrophobicContact CG-CD2 4.49Å; K15-Y27 HydrophobicContact CG-CE2 4.25Å |
| 16 | I | 94.9 | Very high | 93.2 | Very high | 100 Ų | 100 | 82.1 Ų | 82.1 | 51% | 0.513 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -57.9 | -44.9 | 171.4 | -65.6 | 170.1 | 0 | 0 | 0 | 110.6 | V12 K18 G19 A24 | V12-I16 HydrophobicContact CG1-CD1 3.63Å; V12-I16 HydrophobicContact CG1-CG1 4.33Å; V12-I16 WeakPolarHBondContact O-CG1 3.43Å; V12-I16 PolarHBondContact O-N 2.91Å; I16-K18 PolarHBondContact O-N 3.31Å; I16-K18 VanDerWaalsContact O-N 3.16Å; I16-G19 PolarHBondContact O-N 3.27Å; I16-A24 HydrophobicContact CD1-CB 4.45Å; I16-A24 HydrophobicContact CG1-CB 3.72Å |
| 17 | S | 95.4 | Very high | 93.3 | Very high | 106 Ų | 106 | 82 Ų | 82 | 74% | 0.741 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -22.9 | 177.7 | -176.2 | 0 | 0 | 0 | 0 | 113.7 | A13 K15 | A13-S17 WeakPolarHBondContact O-CB 3.44Å; A13-S17 PolarHBondContact O-N 3.03Å; K15-S17 VanDerWaalsContact C-N 3.31Å; K15-S17 PolarHBondContact O-N 3.09Å |
| 18 | K | 96.3 | Very high | 93.1 | Very high | 163 Ų | 163 | 77.7 Ų | 77.7 | 71% | 0.709 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -4.8 | 175.6 | -70 | 174.2 | -178 | -173.6 | 0 | 112.8 | S14 K15 I16 D20 | S14-K18 VanDerWaalsContact O-CG 3.3Å; S14-K18 WeakPolarHBondContact O-CG 3.1Å; S14-K18 PolarHBondContact O-N 3.19Å; K15-K18 PolarHBondContact O-N 2.91Å; I16-K18 PolarHBondContact O-N 3.31Å; I16-K18 VanDerWaalsContact O-N 3.16Å; K18-D20 VanDerWaalsContact C-N 3.3Å |
| 19 | G | 95.8 | Very high | 92.8 | Very high | 59 Ų | 59 | 81.8 Ų | 81.8 | 61% | 0.608 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | 7.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | K15 I16 V21 | K15-G19 PolarHBondContact O-N 3.46Å; I16-G19 PolarHBondContact O-N 3.27Å; G19-V21 PolarHBondContact O-N 3.04Å; G19-V21 VanDerWaalsContact O-N 3.16Å |
| 20 | D | 94.7 | Very high | 92.5 | Very high | 57 Ų | 57 | 77.8 Ų | 77.8 | 31% | 0.305 | 43% | 0.429 | S | S | . | . | trans | -89.4 | 75.8 | -178.9 | -171.8 | 1.9 | 0 | 0 | 0 | 109.6 | K15 K18 E23 A24 | K15-D20 HydrophobicContact CB-CB 4.5Å; K15-D20 HydrophobicContact CD-CB 4.21Å; K15-D20 IonicContact NZ-OD2 3.04Å; K15-D20 PolarHBondContact NZ-OD2 3.28Å; K15-D20 PolarHBondContact O-N 2.86Å; K18-D20 VanDerWaalsContact C-N 3.3Å; D20-E23 WeakPolarHBondContact OD1-CB 3.48Å; D20-E23 PolarHBondContact OD1-N 3.21Å; D20-E23 VanDerWaalsContact OD2-CB 3.29Å; D20-E23 WeakPolarHBondContact OD2-CB 3.4Å; D20-A24 WeakPolarHBondContact O-CB 3.29Å; D20-A24 PolarHBondContact O-N 3.29Å | ||
| 21 | V | 93.2 | Very high | 91.8 | Very high | 96 Ų | 96 | 76 Ų | 76 | 58% | 0.582 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -72.6 | -35.8 | -174.5 | -178.9 | 0 | 0 | 0 | 0 | 111.6 | G19 A24 M25 | G19-V21 PolarHBondContact O-N 3.04Å; G19-V21 VanDerWaalsContact O-N 3.16Å; V21-A24 WeakPolarHBondContact O-CB 3.15Å; V21-A24 PolarHBondContact O-N 3.39Å; V21-M25 WeakPolarHBondContact O-CB 3.47Å; V21-M25 PolarHBondContact O-N 3.01Å |
| 22 | D | 94.5 | Very high | 90.7 | Very high | 138 Ų | 138 | 77.2 Ų | 77.2 | 74% | 0.738 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -63.4 | -46.3 | -179.3 | -64.4 | -34.6 | 0 | 0 | 0 | 111.1 | M25 F26 | D22-M25 WeakPolarHBondContact O-CB 3.37Å; D22-M25 PolarHBondContact O-N 3.5Å; D22-F26 PolarHBondContact O-N 3.11Å |
| 23 | E | 92.6 | Very high | 89.4 | Confident | 60 Ų | 60 | 80.1 Ų | 80.1 | 28% | 0.28 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -68.2 | -36.5 | 176.3 | -178.2 | 70.5 | -168.8 | 0 | 0 | 111.7 | K15 D20 M25 F26 Y27 | K15-E23 HydrophobicContact CD-CB 4.27Å; K15-E23 HydrophobicContact CD-CG 3.75Å; K15-E23 VanDerWaalsContact CE-CG 3.45Å; K15-E23 HydrophobicContact CG-CG 4.03Å; D20-E23 WeakPolarHBondContact OD1-CB 3.48Å; D20-E23 PolarHBondContact OD1-N 3.21Å; D20-E23 VanDerWaalsContact OD2-CB 3.29Å; D20-E23 WeakPolarHBondContact OD2-CB 3.4Å; E23-M25 VanDerWaalsContact C-N 3.31Å; E23-M25 PolarHBondContact O-N 2.95Å; E23-F26 WeakPolarHBondContact O-CB 3.36Å; E23-F26 PolarHBondContact O-N 3.37Å; E23-Y27 HydrophobicContact CG-CD2 4.3Å; E23-Y27 HydrophobicContact CG-CE2 3.74Å; E23-Y27 WeakPolarHBondContact O-CD2 3.47Å; E23-Y27 PolarHBondContact O-N 3.24Å; E23-Y27 WeakPolarHBondContact OE1-CE2 3.41Å; E23-Y27 PolarHBondContact OE1-OH 2.96Å |
| 24 | A | 93.2 | Very high | 87.9 | Confident | 5 Ų | 5 | 78 Ų | 78 | 4% | 0.041 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -60.6 | -41.7 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | V12 K15 I16 D20 V21 Y27 E28 | V12-A24 HydrophobicContact CG1-CB 4.27Å; K15-A24 HydrophobicContact CB-CB 3.91Å; I16-A24 HydrophobicContact CD1-CB 4.45Å; I16-A24 HydrophobicContact CG1-CB 3.72Å; D20-A24 WeakPolarHBondContact O-CB 3.29Å; D20-A24 PolarHBondContact O-N 3.29Å; V21-A24 WeakPolarHBondContact O-CB 3.15Å; V21-A24 PolarHBondContact O-N 3.39Å; A24-Y27 PolarHBondContact O-N 3.43Å; A24-E28 PolarHBondContact O-N 3.11Å |
| 25 | M | 92 | Very high | 86.1 | Confident | 130 Ų | 130 | 78.3 Ų | 78.3 | 64% | 0.64 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -63.9 | -41.2 | 175.7 | -174.9 | -178.9 | -115.2 | 0 | 0 | 111.7 | V21 D22 E23 Y27 E28 V29 | V21-M25 WeakPolarHBondContact O-CB 3.47Å; V21-M25 PolarHBondContact O-N 3.01Å; D22-M25 WeakPolarHBondContact O-CB 3.37Å; D22-M25 PolarHBondContact O-N 3.5Å; E23-M25 VanDerWaalsContact C-N 3.31Å; E23-M25 PolarHBondContact O-N 2.95Å; M25-Y27 VanDerWaalsContact C-N 3.26Å; M25-Y27 PolarHBondContact O-N 3.34Å; M25-E28 PolarHBondContact O-N 3.32Å; M25-E28 VanDerWaalsContact O-N 3.09Å; M25-V29 HydrophobicContact CG-CG2 4.42Å; M25-V29 WeakPolarHBondContact O-CG2 3.36Å; M25-V29 PolarHBondContact O-N 2.97Å |
| 26 | F | 90.6 | Very high | 84.1 | Confident | 125 Ų | 125 | 80.7 Ų | 80.7 | 55% | 0.548 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -55 | -43.3 | 175 | 178.6 | -97.9 | 0 | 0 | 0 | 111.9 | D22 E23 V29 Y30 | D22-F26 PolarHBondContact O-N 3.11Å; E23-F26 WeakPolarHBondContact O-CB 3.36Å; E23-F26 PolarHBondContact O-N 3.37Å; F26-V29 PolarHBondContact O-N 3.1Å; F26-Y30 VanDerWaalsContact O-CB 3.23Å; F26-Y30 WeakPolarHBondContact O-CB 3.48Å; F26-Y30 PolarHBondContact O-N 3.05Å |
| 27 | Y | 90.4 | Very high | 82.1 | Confident | 45 Ų | 45 | 78.7 Ų | 78.7 | 18% | 0.176 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -66.2 | -37.2 | 176 | -74.7 | -66.6 | 0 | 0 | 0 | 113.4 | L3 I8 C11 V12 K15 E23 A24 M25 Y30 R31 | L3-Y27 HydrophobicContact CD1-CD1 4.07Å; L3-Y27 HydrophobicContact CD1-CE1 3.73Å; I8-Y27 WeakPolarHBondContact CG2-O 3.46Å; C11-Y27 HydrophobicContact CB-CD1 4.27Å; C11-Y27 HydrophobicContact CB-CD2 4.16Å; C11-Y27 HydrophobicContact CB-CE1 4.3Å; C11-Y27 HydrophobicContact CB-CE2 4.2Å; C11-Y27 HydrophobicContact CB-CG 4.25Å; V12-Y27 VanDerWaalsContact CG2-CB 3.48Å; V12-Y27 HydrophobicContact CG2-CG 4.44Å; K15-Y27 HydrophobicContact CG-CD2 4.49Å; K15-Y27 HydrophobicContact CG-CE2 4.25Å; E23-Y27 HydrophobicContact CG-CD2 4.3Å; E23-Y27 HydrophobicContact CG-CE2 3.74Å; E23-Y27 WeakPolarHBondContact O-CD2 3.47Å; E23-Y27 PolarHBondContact O-N 3.24Å; E23-Y27 WeakPolarHBondContact OE1-CE2 3.41Å; E23-Y27 PolarHBondContact OE1-OH 2.96Å; A24-Y27 PolarHBondContact O-N 3.43Å; M25-Y27 VanDerWaalsContact C-N 3.26Å; M25-Y27 PolarHBondContact O-N 3.34Å; Y27-Y30 WeakPolarHBondContact O-CB 3.44Å; Y27-Y30 PolarHBondContact O-N 3.41Å; Y27-R31 WeakPolarHBondContact O-CB 3.16Å; Y27-R31 PolarHBondContact O-N 2.98Å |
| 28 | E | 85.9 | Confident | 79.8 | Confident | 65 Ų | 65 | 76 Ų | 76 | 30% | 0.304 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -69.6 | -38.3 | 175.6 | -76.8 | -66 | 161.5 | 0 | 0 | 112.5 | V12 A24 M25 Y30 R31 S32 | V12-E28 HydrophobicContact CG1-CG 4.33Å; V12-E28 HydrophobicContact CG2-CG 4.04Å; A24-E28 PolarHBondContact O-N 3.11Å; M25-E28 PolarHBondContact O-N 3.32Å; M25-E28 VanDerWaalsContact O-N 3.09Å; E28-Y30 VanDerWaalsContact C-N 3.33Å; E28-R31 WeakPolarHBondContact O-CB 3.45Å; E28-R31 PolarHBondContact O-N 3.16Å; E28-R31 IonicContact OE1-NH1 3.89Å; E28-R31 WeakPolarHBondContact OE2-CD 3.35Å; E28-R31 IonicContact OE2-CZ 3.98Å; E28-R31 IonicContact OE2-NH1 2.98Å; E28-R31 PolarHBondContact OE2-NH1 3.4Å; E28-S32 PolarHBondContact O-N 2.87Å; E28-S32 VanDerWaalsContact O-N 3.1Å; E28-S32 PolarHBondContact O-OG 3.1Å |
| 29 | V | 85.5 | Confident | 77.6 | Confident | 87 Ų | 87 | 76.8 Ų | 76.8 | 53% | 0.527 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.3 | -44.9 | 171.4 | 174.1 | 0 | 0 | 0 | 0 | 109.9 | M25 F26 R31 S32 S33 | M25-V29 HydrophobicContact CG-CG2 4.42Å; M25-V29 WeakPolarHBondContact O-CG2 3.36Å; M25-V29 PolarHBondContact O-N 2.97Å; F26-V29 PolarHBondContact O-N 3.1Å; V29-R31 VanDerWaalsContact C-N 3.29Å; V29-R31 PolarHBondContact O-N 3.47Å; V29-S32 WeakPolarHBondContact O-CB 3.5Å; V29-S32 PolarHBondContact O-N 3.46Å; V29-S33 PolarHBondContact O-N 3.48Å; V29-S33 VanDerWaalsContact O-N 3.14Å |
| 30 | Y | 83.6 | Confident | 75.4 | Confident | 63 Ų | 63 | 81.1 Ų | 81.1 | 25% | 0.247 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -57.7 | -42.4 | 175.8 | -176.1 | -102.5 | 0 | 0 | 0 | 112 | M1 R2 L3 I8 F26 Y27 E28 S32 S33 I34 | M1-Y30 PolarHBondContact O-OH 2.95Å; R2-Y30 VanDerWaalsContact CA-OH 3.26Å; R2-Y30 WeakPolarHBondContact CA-OH 3.38Å; R2-Y30 WeakPolarHBondContact CG-OH 3.33Å; L3-Y30 HydrophobicContact CB-CE1 4.21Å; I8-Y30 HydrophobicContact CD1-CD1 3.63Å; I8-Y30 HydrophobicContact CD1-CE1 4.05Å; I8-Y30 HydrophobicContact CG1-CD1 4.23Å; F26-Y30 VanDerWaalsContact O-CB 3.23Å; F26-Y30 WeakPolarHBondContact O-CB 3.48Å; F26-Y30 PolarHBondContact O-N 3.05Å; Y27-Y30 WeakPolarHBondContact O-CB 3.44Å; Y27-Y30 PolarHBondContact O-N 3.41Å; E28-Y30 VanDerWaalsContact C-N 3.33Å; Y30-S32 VanDerWaalsContact C-N 3.3Å; Y30-S32 PolarHBondContact O-N 2.98Å; Y30-S33 WeakPolarHBondContact O-CB 3.23Å; Y30-S33 PolarHBondContact O-N 3.4Å; Y30-I34 HydrophobicContact CD1-CD1 4.06Å; Y30-I34 HydrophobicContact CE1-CD1 3.55Å; Y30-I34 HydrophobicContact CE1-CG1 4.21Å; Y30-I34 WeakPolarHBondContact O-CG1 2.99Å; Y30-I34 PolarHBondContact O-N 2.88Å; Y30-I34 VanDerWaalsContact O-N 3.16Å |
| 31 | R | 78.8 | Confident | 73.2 | Confident | 77 Ų | 77 | 83.1 Ų | 83.1 | 29% | 0.291 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -57.7 | -42 | 173.6 | -174.3 | -175.1 | 160.3 | -146.1 | -4.3 | 112.1 | T5 I8 Y27 E28 V29 S33 I34 I35 | T5-R31 HydrophobicContact CG2-CG 4.16Å; I8-R31 HydrophobicContact CD1-CB 3.97Å; I8-R31 HydrophobicContact CD1-CG 4.38Å; I8-R31 HydrophobicContact CG2-CB 3.94Å; I8-R31 HydrophobicContact CG2-CG 4.43Å; Y27-R31 WeakPolarHBondContact O-CB 3.16Å; Y27-R31 PolarHBondContact O-N 2.98Å; E28-R31 WeakPolarHBondContact O-CB 3.45Å; E28-R31 PolarHBondContact O-N 3.16Å; E28-R31 IonicContact OE1-NH1 3.89Å; E28-R31 WeakPolarHBondContact OE2-CD 3.35Å; E28-R31 IonicContact OE2-CZ 3.98Å; E28-R31 IonicContact OE2-NH1 2.98Å; E28-R31 PolarHBondContact OE2-NH1 3.4Å; V29-R31 VanDerWaalsContact C-N 3.29Å; V29-R31 PolarHBondContact O-N 3.47Å; R31-S33 VanDerWaalsContact C-N 3.32Å; R31-S33 PolarHBondContact O-N 3.32Å; R31-I34 WeakPolarHBondContact O-CA 3.48Å; R31-I34 WeakPolarHBondContact O-CB 3.38Å; R31-I34 PolarHBondContact O-N 2.87Å; R31-I35 HydrophobicContact CG-CD1 3.91Å; R31-I35 HydrophobicContact CG-CG1 4.47Å; R31-I35 WeakPolarHBondContact O-CG1 3.4Å; R31-I35 PolarHBondContact O-N 3.35Å |
| 32 | S | 69.1 | Low | 71.2 | Confident | 66 Ų | 66 | 81.8 Ų | 81.8 | 46% | 0.462 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.9 | -40.4 | 179.1 | -60.1 | 0 | 0 | 0 | 0 | 111.4 | E28 V29 Y30 I34 I35 T36 | E28-S32 PolarHBondContact O-N 2.87Å; E28-S32 VanDerWaalsContact O-N 3.1Å; E28-S32 PolarHBondContact O-OG 3.1Å; V29-S32 WeakPolarHBondContact O-CB 3.5Å; V29-S32 PolarHBondContact O-N 3.46Å; Y30-S32 VanDerWaalsContact C-N 3.3Å; Y30-S32 PolarHBondContact O-N 2.98Å; S32-I34 PolarHBondContact O-N 3.28Å; S32-I35 PolarHBondContact O-N 3.3Å; S32-I35 VanDerWaalsContact O-N 3.13Å; S32-T36 PolarHBondContact O-N 3.22Å; S32-T36 PolarHBondContact O-OG1 2.76Å |
| 33 | S | 67 | Low | 69.2 | Low | 73 Ų | 73 | 79.8 Ų | 79.8 | 51% | 0.51 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.7 | -19.7 | 171.9 | -57.5 | 0 | 0 | 0 | 0 | 113.6 | V29 Y30 R31 T36 | V29-S33 PolarHBondContact O-N 3.48Å; V29-S33 VanDerWaalsContact O-N 3.14Å; Y30-S33 WeakPolarHBondContact O-CB 3.23Å; Y30-S33 PolarHBondContact O-N 3.4Å; R31-S33 VanDerWaalsContact C-N 3.32Å; R31-S33 PolarHBondContact O-N 3.32Å; S33-T36 PolarHBondContact O-OG1 3.03Å |
| 34 | I | 62.5 | Low | 67.3 | Low | 15 Ų | 15 | 87.4 Ų | 87.4 | 8% | 0.077 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -79.9 | -43.2 | 169.6 | -58.9 | -172.8 | 0 | 0 | 0 | 111.5 | R2 L3 I8 Y30 R31 S32 T36 S37 S38 | R2-I34 HydrophobicContact CG-CD1 3.82Å; R2-I34 HydrophobicContact CG-CG1 4.31Å; L3-I34 WeakPolarHBondContact O-CD1 3.44Å; I8-I34 HydrophobicContact CD1-CD1 3.73Å; Y30-I34 HydrophobicContact CD1-CD1 4.06Å; Y30-I34 HydrophobicContact CE1-CD1 3.55Å; Y30-I34 HydrophobicContact CE1-CG1 4.21Å; Y30-I34 WeakPolarHBondContact O-CG1 2.99Å; Y30-I34 PolarHBondContact O-N 2.88Å; Y30-I34 VanDerWaalsContact O-N 3.16Å; R31-I34 WeakPolarHBondContact O-CA 3.48Å; R31-I34 WeakPolarHBondContact O-CB 3.38Å; R31-I34 PolarHBondContact O-N 2.87Å; S32-I34 PolarHBondContact O-N 3.28Å; I34-T36 PolarHBondContact O-N 3.49Å; I34-S37 WeakPolarHBondContact O-CB 3.4Å; I34-S37 PolarHBondContact O-N 3.02Å; I34-S38 PolarHBondContact O-N 3.16Å; I34-S38 PolarHBondContact O-OG 3.44Å |
| 35 | I | 57.6 | Low | 65.4 | Low | 63 Ų | 63 | 91.8 Ų | 91.8 | 32% | 0.323 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.1 | -34 | -176.1 | -65.2 | 167.6 | 0 | 0 | 0 | 111.9 | R31 S32 S37 S38 Y39 | R31-I35 HydrophobicContact CG-CD1 3.91Å; R31-I35 HydrophobicContact CG-CG1 4.47Å; R31-I35 WeakPolarHBondContact O-CG1 3.4Å; R31-I35 PolarHBondContact O-N 3.35Å; S32-I35 PolarHBondContact O-N 3.3Å; S32-I35 VanDerWaalsContact O-N 3.13Å; I35-S37 PolarHBondContact O-N 3.13Å; I35-S38 CarbonylContact O-C 3.52Å; I35-S38 WeakPolarHBondContact O-CA 3.48Å; I35-S38 WeakPolarHBondContact O-CB 3.4Å; I35-S38 PolarHBondContact O-N 3.38Å; I35-Y39 PolarHBondContact O-N 2.87Å |
| 36 | T | 53.5 | Low | 63.4 | Low | 101 Ų | 101 | 88.3 Ų | 88.3 | 62% | 0.62 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.9 | -32.4 | 174.6 | 53 | 0 | 0 | 0 | 0 | 112.2 | S32 S33 I34 S38 | S32-T36 PolarHBondContact O-N 3.22Å; S32-T36 PolarHBondContact O-OG1 2.76Å; S33-T36 PolarHBondContact O-OG1 3.03Å; I34-T36 PolarHBondContact O-N 3.49Å; T36-S38 VanDerWaalsContact C-N 3.3Å |
| 37 | S | 52.2 | Low | 61.6 | Low | 58 Ų | 58 | 93.2 Ų | 93.2 | 41% | 0.406 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -73.4 | -20.9 | 171.2 | 172.5 | 0 | 0 | 0 | 0 | 113 | R2 I34 I35 | R2-S37 VanDerWaalsContact NH2-CB 3.27Å; R2-S37 PolarHBondContact NH2-OG 3.26Å; I34-S37 WeakPolarHBondContact O-CB 3.4Å; I34-S37 PolarHBondContact O-N 3.02Å; I35-S37 PolarHBondContact O-N 3.13Å |
| 38 | S | 47.6 | Very low | 59.9 | Low | 51 Ų | 51 | 100.6 Ų | 100.6 | 36% | 0.357 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -91.8 | -13.7 | 178.8 | -61.2 | 0 | 0 | 0 | 0 | 114.1 | I34 I35 T36 E40 D41 A42 | I34-S38 PolarHBondContact O-N 3.16Å; I34-S38 PolarHBondContact O-OG 3.44Å; I35-S38 CarbonylContact O-C 3.52Å; I35-S38 WeakPolarHBondContact O-CA 3.48Å; I35-S38 WeakPolarHBondContact O-CB 3.4Å; I35-S38 PolarHBondContact O-N 3.38Å; T36-S38 VanDerWaalsContact C-N 3.3Å; S38-E40 PolarHBondContact O-N 3.14Å; S38-D41 CarbonylContact O-C 3.58Å; S38-D41 PolarHBondContact O-N 3.24Å; S38-D41 VanDerWaalsContact O-N 3.1Å; S38-A42 WeakPolarHBondContact O-CB 3.33Å; S38-A42 PolarHBondContact O-N 3.48Å |
| 39 | Y | 50.2 | Low | 58.3 | Low | 179 Ų | 179 | 104.8 Ų | 104.8 | 70% | 0.702 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.5 | -33.6 | 168 | -117.1 | -91.5 | 0 | 0 | 0 | 111 | I35 D41 S43 | I35-Y39 PolarHBondContact O-N 2.87Å; Y39-D41 VanDerWaalsContact C-N 3.35Å; Y39-S43 PolarHBondContact O-N 2.79Å; Y39-S43 PolarHBondContact O-OG 3.44Å |
| 40 | E | 48.5 | Very low | 56.8 | Low | 150 Ų | 150 | 110 Ų | 110 | 70% | 0.701 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -67.3 | -33 | 168.7 | -66.7 | -68.6 | 119.9 | 0 | 0 | 112.4 | S38 | S38-E40 PolarHBondContact O-N 3.14Å |
| 41 | D | 48.1 | Very low | 55.5 | Low | 98 Ų | 98 | 114.8 Ų | 114.8 | 52% | 0.524 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -87.9 | -30.5 | -176.1 | -157.3 | 13.9 | 0 | 0 | 0 | 113.5 | S38 Y39 S43 R44 S45 | S38-D41 CarbonylContact O-C 3.58Å; S38-D41 PolarHBondContact O-N 3.24Å; S38-D41 VanDerWaalsContact O-N 3.1Å; Y39-D41 VanDerWaalsContact C-N 3.35Å; D41-S43 PolarHBondContact O-N 3.2Å; D41-R44 CarbonylContact O-C 3.46Å; D41-R44 WeakPolarHBondContact O-CA 3.26Å; D41-R44 WeakPolarHBondContact O-CB 3.45Å; D41-R44 PolarHBondContact O-N 3.3Å; D41-S45 PolarHBondContact O-N 2.81Å |
| 42 | A | 51 | Low | 54.6 | Low | 68 Ų | 68 | 119.1 Ų | 119.1 | 56% | 0.562 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66.3 | -31 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | S38 R44 S45 | S38-A42 WeakPolarHBondContact O-CB 3.33Å; S38-A42 PolarHBondContact O-N 3.48Å; A42-R44 PolarHBondContact O-N 2.82Å; A42-S45 PolarHBondContact O-N 3.24Å |
| 43 | S | 52.8 | Low | 54.2 | Low | 97 Ų | 97 | 123.5 Ų | 123.5 | 68% | 0.678 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -24.3 | 168.8 | -54.7 | 0 | 0 | 0 | 0 | 112.5 | Y39 D41 | Y39-S43 PolarHBondContact O-N 2.79Å; Y39-S43 PolarHBondContact O-OG 3.44Å; D41-S43 PolarHBondContact O-N 3.2Å |
| 44 | R | 52.4 | Low | 53.8 | Low | 219 Ų | 219 | 127.5 Ų | 127.5 | 83% | 0.826 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -24.2 | 170.9 | -74.7 | -175.7 | 177.9 | -165.2 | -0.6 | 113.8 | D41 A42 G46 | D41-R44 CarbonylContact O-C 3.46Å; D41-R44 WeakPolarHBondContact O-CA 3.26Å; D41-R44 WeakPolarHBondContact O-CB 3.45Å; D41-R44 PolarHBondContact O-N 3.3Å; A42-R44 PolarHBondContact O-N 2.82Å; R44-G46 PolarHBondContact O-N 2.96Å |
| 45 | S | 53.5 | Low | 54.1 | Low | 97 Ų | 97 | 132.9 Ų | 132.9 | 68% | 0.678 | 66% | 0.661 | S | S | * | * | trans | -84.1 | 24.1 | 176.6 | -157.3 | 0 | 0 | 0 | 0 | 113.1 | D41 A42 R47 | D41-S45 PolarHBondContact O-N 2.81Å; A42-S45 PolarHBondContact O-N 3.24Å; S45-R47 PolarHBondContact O-N 2.91Å | ||
| 46 | G | 51.4 | Low | 54.5 | Low | 58 Ų | 58 | 143.1 Ų | 143.1 | 60% | 0.598 | 70% | 0.704 | S | S | * | * | trans | -60.5 | 90.6 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | R44 K48 | R44-G46 PolarHBondContact O-N 2.96Å; G46-K48 PolarHBondContact O-N 3.47Å | ||
| 47 | R | 51.4 | Low | 54.5 | Low | 228 Ų | 228 | 145.3 Ų | 145.3 | 86% | 0.86 | 71% | 0.708 | S | S | * | * | trans | 33.9 | 86.8 | 133.1 | -168.7 | -175 | -155.4 | 171.3 | 4.5 | 111.3 | S45 E49 | S45-R47 PolarHBondContact O-N 2.91Å; R47-E49 PolarHBondContact O-N 3.42Å | ||
| 48 | K | 55.5 | Low | 54.6 | Low | 200 Ų | 200 | 149.8 Ų | 149.8 | 87% | 0.87 | 72% | 0.724 | S | S | * | * | trans | -43.8 | 113.2 | 161.5 | -78.7 | -166.5 | 177.1 | -173.6 | 0 | 106 | G46 K50 | G46-K48 PolarHBondContact O-N 3.47Å; K48-K50 PolarHBondContact O-N 3.47Å | ||
| 49 | E | 52.5 | Low | 55 | Low | 153 Ų | 153 | 155.3 Ų | 155.3 | 72% | 0.715 | 74% | 0.744 | S | S | * | * | trans | -43.7 | 111.2 | 168.2 | -83.3 | 175.4 | 103.2 | 0 | 0 | 105 | R47 K51 | R47-E49 PolarHBondContact O-N 3.42Å; E49-K51 HydrophobicContact CB-CG 4.15Å; E49-K51 PolarHBondContact O-N 2.95Å | ||
| 50 | K | 54.1 | Low | 55.3 | Low | 197 Ų | 197 | 153.9 Ų | 153.9 | 86% | 0.857 | 75% | 0.747 | S | S | * | * | trans | -67.7 | 80.2 | 154.3 | -70.6 | -168.1 | 178.4 | -172.3 | 0 | 103.8 | K48 F52 | K48-K50 PolarHBondContact O-N 3.47Å; K50-F52 PolarHBondContact O-N 3.18Å | ||
| 51 | K | 56 | Low | 55.7 | Low | 163 Ų | 163 | 154.2 Ų | 154.2 | 71% | 0.709 | 75% | 0.749 | S | S | * | * | trans | -62.4 | 90.3 | 150.6 | -74.7 | -161.7 | 179.4 | -173.3 | 0 | 103.4 | E49 Q53 | E49-K51 HydrophobicContact CB-CG 4.15Å; E49-K51 PolarHBondContact O-N 2.95Å; K51-Q53 PolarHBondContact O-N 2.91Å | ||
| 52 | F | 59.2 | Low | 56.2 | Low | 167 Ų | 167 | 157.9 Ų | 157.9 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | trans | -59.8 | 95.6 | 165.9 | -164.9 | -105.7 | 0 | 0 | 0 | 103.5 | K50 E54 | K50-F52 PolarHBondContact O-N 3.18Å; F52-E54 HydrophobicContact CD1-CG 3.66Å; F52-E54 HydrophobicContact CE1-CG 3.69Å; F52-E54 PolarHBondContact O-N 2.78Å | ||
| 53 | Q | 60.2 | Low | 56.6 | Low | 158 Ų | 158 | 164.4 Ų | 164.4 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | trans | -74.6 | 86 | 176.2 | -173.9 | 154.1 | 15.9 | 0 | 0 | 105.6 | K51 D55 | K51-Q53 PolarHBondContact O-N 2.91Å; Q53-D55 VanDerWaalsContact C-N 3.27Å; Q53-D55 WeakPolarHBondContact CG-OD2 3.21Å; Q53-D55 PolarHBondContact NE2-OD2 2.82Å; Q53-D55 PolarHBondContact O-N 2.84Å | ||
| 54 | E | 60.6 | Low | 56.9 | Low | 157 Ų | 157 | 169.5 Ų | 169.5 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | -69 | 90.8 | 157.7 | -85.3 | 172.3 | 157.7 | 0 | 0 | 106.7 | F52 | F52-E54 HydrophobicContact CD1-CG 3.66Å; F52-E54 HydrophobicContact CE1-CG 3.69Å; F52-E54 PolarHBondContact O-N 2.78Å | ||
| 55 | D | 68.4 | Low | 57.3 | Low | 129 Ų | 129 | 165.4 Ų | 165.4 | 69% | 0.69 | 78% | 0.783 | S | S | * | * | trans | -105.7 | 101.8 | 154.4 | -72.3 | -42 | 0 | 0 | 0 | 105.7 | Q53 | Q53-D55 VanDerWaalsContact C-N 3.27Å; Q53-D55 WeakPolarHBondContact CG-OD2 3.21Å; Q53-D55 PolarHBondContact NE2-OD2 2.82Å; Q53-D55 PolarHBondContact O-N 2.84Å | ||
| 56 | F | 64.7 | Low | 57.6 | Low | 278 Ų | 278 | 171.6 Ų | 171.6 | 100% | 1.219 | 79% | 0.793 | S | S | * | * | trans | -80.2 | 0 | 166.8 | -175.5 | -88.5 | 0 | 0 | 0 | 109.2 |
Retrieved 56 of 56 residues in 12.4 ms
(Link to these results)