| 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 | 50.4 | Low | 76.5 | Confident | 240 Ų | 240 | 97.9 Ų | 97.9 | 100% | 1.182 | 53% | 0.529 | S | S | * | . | 0 | 120.9 | 0 | -68.8 | 164.7 | 174.7 | 0 | 0 | 107.5 | |||||
| 2 | K | 60.4 | Low | 76.8 | Confident | 215 Ų | 215 | 93.5 Ų | 93.5 | 94% | 0.935 | 51% | 0.511 | S | S | * | . | trans | -83.6 | 113.1 | 171.8 | -69.5 | -179.5 | 179.8 | -179.6 | 0 | 106.6 | ||||
| 3 | V | 73.8 | Confident | 76.9 | Confident | 62 Ų | 62 | 97.4 Ų | 97.4 | 38% | 0.376 | 52% | 0.52 | S | S | . | . | trans | -78.3 | 131.5 | 174.5 | -179.5 | 0 | 0 | 0 | 0 | 106.9 | T7 C8 W20 C27 | V3-T7 HydrophobicContact CG1-CG2 4.19Å; V3-C8 HydrophobicContact CG1-CB 4.21Å; V3-W20 HydrophobicContact CB-CZ3 4.41Å; V3-W20 HydrophobicContact CG1-CZ3 4.46Å; V3-W20 WeakPolarHBondContact O-CH2 3.35Å; V3-W20 WeakPolarHBondContact O-CZ3 3.32Å; V3-C27 HydrophobicContact CG1-CB 4.07Å | ||
| 4 | S | 81.3 | Confident | 76.8 | Confident | 38 Ų | 38 | 101.1 Ų | 101.1 | 27% | 0.266 | 55% | 0.552 | S | S | . | * | trans | -85.2 | 159.4 | 172.5 | 63.7 | 0 | 0 | 0 | 0 | 110.8 | E6 T7 C8 | S4-E6 VanDerWaalsContact C-N 3.28Å; S4-E6 WeakPolarHBondContact CB-OE1 3.38Å; S4-E6 PolarHBondContact O-N 3.25Å; S4-E6 WeakPolarHBondContact OG-CG 3.27Å; S4-E6 PolarHBondContact OG-OE1 2.84Å; S4-T7 WeakPolarHBondContact O-CB 3.36Å; S4-T7 PolarHBondContact O-N 3.23Å; S4-T7 VanDerWaalsContact O-N 3.09Å; S4-T7 PolarHBondContact OG-OG1 3.03Å; S4-C8 PolarHBondContact O-N 3.04Å | ||
| 5 | N | 81.4 | Confident | 76.7 | Confident | 63 Ų | 63 | 103 Ų | 103 | 34% | 0.337 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -53.6 | -45.8 | 178 | -176.5 | 15.5 | 0 | 0 | 0 | 111.8 | T7 C8 L9 W20 | N5-T7 VanDerWaalsContact C-N 3.28Å; N5-T7 PolarHBondContact O-N 3.48Å; N5-C8 WeakPolarHBondContact O-CB 3.21Å; N5-C8 PolarHBondContact O-N 3.39Å; N5-C8 VanDerWaalsContact O-N 3.16Å; N5-L9 WeakPolarHBondContact O-CG 3.37Å; N5-L9 PolarHBondContact O-N 3.31Å; N5-L9 WeakPolarHBondContact OD1-CD1 3.48Å; N5-W20 HydrophobicContact CB-CD2 3.87Å; N5-W20 HydrophobicContact CB-CG 3.83Å; N5-W20 WeakPolarHBondContact OD1-CB 3.32Å; N5-W20 VanDerWaalsContact OD1-CG 3.24Å |
| 6 | E | 81.1 | Confident | 76.4 | Confident | 144 Ų | 144 | 102.9 Ų | 102.9 | 67% | 0.673 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.1 | -34.2 | 179.6 | 72.6 | -128.4 | 137.8 | 0 | 0 | 112.7 | S4 S10 | S4-E6 VanDerWaalsContact C-N 3.28Å; S4-E6 WeakPolarHBondContact CB-OE1 3.38Å; S4-E6 PolarHBondContact O-N 3.25Å; S4-E6 WeakPolarHBondContact OG-CG 3.27Å; S4-E6 PolarHBondContact OG-OE1 2.84Å; E6-S10 VanDerWaalsContact O-CB 3.29Å; E6-S10 WeakPolarHBondContact O-CB 3.34Å; E6-S10 PolarHBondContact O-N 2.84Å; E6-S10 PolarHBondContact O-OG 3.3Å |
| 7 | T | 83.2 | Confident | 76.5 | Confident | 72 Ų | 72 | 103.9 Ų | 103.9 | 44% | 0.442 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -72.5 | -37.2 | 177.9 | -54 | 0 | 0 | 0 | 0 | 110.5 | V3 S4 N5 S10 A11 | V3-T7 HydrophobicContact CG1-CG2 4.19Å; S4-T7 WeakPolarHBondContact O-CB 3.36Å; S4-T7 PolarHBondContact O-N 3.23Å; S4-T7 VanDerWaalsContact O-N 3.09Å; S4-T7 PolarHBondContact OG-OG1 3.03Å; N5-T7 VanDerWaalsContact C-N 3.28Å; N5-T7 PolarHBondContact O-N 3.48Å; T7-S10 WeakPolarHBondContact CA-OG 3.35Å; T7-S10 PolarHBondContact O-OG 2.95Å; T7-S10 VanDerWaalsContact O-OG 3.09Å; T7-A11 WeakPolarHBondContact O-CB 3.38Å; T7-A11 PolarHBondContact O-N 3.45Å; T7-A11 VanDerWaalsContact O-N 3.14Å |
| 8 | C | 83.7 | Confident | 76.7 | Confident | 1 Ų | 1 | 99.3 Ų | 99.3 | 1% | 0.007 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -64 | -48.8 | 176.1 | -179 | 0 | 0 | 0 | 0 | 112 | V3 S4 N5 A11 S12 C18 H19 W20 C27 | V3-C8 HydrophobicContact CG1-CB 4.21Å; S4-C8 PolarHBondContact O-N 3.04Å; N5-C8 WeakPolarHBondContact O-CB 3.21Å; N5-C8 PolarHBondContact O-N 3.39Å; N5-C8 VanDerWaalsContact O-N 3.16Å; C8-A11 PolarHBondContact O-N 3.16Å; C8-S12 PolarHBondContact O-N 3.36Å; C8-C18 WeakPolarHBondContact O-CB 3.39Å; C8-H19 VanDerWaalsContact SG-C 3.56Å; C8-H19 PolarHBondContact SG-O 3.43Å; C8-H19 VanDerWaalsContact SG-O 3.36Å; C8-W20 HydrophobicContact CB-CE3 3.82Å; C8-C27 WeakPolarHBondContact CA-SG 3.33Å; C8-C27 HydrophobicContact CB-CB 3.53Å; C8-C27 WeakPolarHBondContact CB-SG 3.23Å; C8-C27 VanDerWaalsContact SG-CA 3.56Å; C8-C27 WeakPolarHBondContact SG-CB 3.27Å; C8-C27 CovalentContact SG-SG 2.02Å; C8-C27 PolarHBondContact SG-SG 3.32Å |
| 9 | L | 81.5 | Confident | 77 | Confident | 93 Ų | 93 | 96.7 Ų | 96.7 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -70 | -36.5 | -177.6 | -66 | 175.1 | 0 | 0 | 0 | 111.9 | N5 A11 S12 | N5-L9 WeakPolarHBondContact O-CG 3.37Å; N5-L9 PolarHBondContact O-N 3.31Å; N5-L9 WeakPolarHBondContact OD1-CD1 3.48Å; L9-A11 VanDerWaalsContact C-N 3.29Å; L9-A11 PolarHBondContact O-N 2.87Å; L9-S12 WeakPolarHBondContact O-CB 3.45Å; L9-S12 PolarHBondContact O-N 3.48Å |
| 10 | S | 83.1 | Confident | 77.3 | Confident | 93 Ų | 93 | 93.2 Ų | 93.2 | 65% | 0.65 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -70.4 | -24.6 | 175.2 | 56.2 | 0 | 0 | 0 | 0 | 113.5 | E6 T7 S12 | E6-S10 VanDerWaalsContact O-CB 3.29Å; E6-S10 WeakPolarHBondContact O-CB 3.34Å; E6-S10 PolarHBondContact O-N 2.84Å; E6-S10 PolarHBondContact O-OG 3.3Å; T7-S10 WeakPolarHBondContact CA-OG 3.35Å; T7-S10 PolarHBondContact O-OG 2.95Å; T7-S10 VanDerWaalsContact O-OG 3.09Å; S10-S12 VanDerWaalsContact C-N 3.25Å; S10-S12 PolarHBondContact O-N 2.86Å |
| 11 | A | 81.6 | Confident | 77.5 | Confident | 56 Ų | 56 | 88.7 Ų | 88.7 | 46% | 0.463 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -10.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | T7 C8 L9 K13 | T7-A11 WeakPolarHBondContact O-CB 3.38Å; T7-A11 PolarHBondContact O-N 3.45Å; T7-A11 VanDerWaalsContact O-N 3.14Å; C8-A11 PolarHBondContact O-N 3.16Å; L9-A11 VanDerWaalsContact C-N 3.29Å; L9-A11 PolarHBondContact O-N 2.87Å; A11-K13 PolarHBondContact O-N 3.28Å |
| 12 | S | 80.3 | Confident | 79 | Confident | 45 Ų | 45 | 79 Ų | 79 | 32% | 0.315 | 43% | 0.43 | S | S | . | . | trans | -65.4 | 124.2 | 178.4 | -164.4 | 0 | 0 | 0 | 0 | 110.5 | C8 L9 S10 E17 C18 | C8-S12 PolarHBondContact O-N 3.36Å; L9-S12 WeakPolarHBondContact O-CB 3.45Å; L9-S12 PolarHBondContact O-N 3.48Å; S10-S12 VanDerWaalsContact C-N 3.25Å; S10-S12 PolarHBondContact O-N 2.86Å; S12-E17 WeakPolarHBondContact OG-CA 3.2Å; S12-C18 PolarHBondContact OG-N 2.91Å; S12-C18 VanDerWaalsContact OG-N 3.11Å | ||
| 13 | K | 78.2 | Confident | 79.8 | Confident | 144 Ų | 144 | 72.3 Ų | 72.3 | 63% | 0.626 | 41% | 0.407 | S | S | * | . | B | Isolated β-bridge | trans | -112.1 | 156.8 | 178.1 | -70.2 | -178.4 | -176.2 | 180 | 0 | 109.2 | A11 D15 M16 | A11-K13 PolarHBondContact O-N 3.28Å; K13-D15 PolarHBondContact O-N 3.31Å; K13-M16 PolarHBondContact N-O 2.92Å; K13-M16 CarbonylContact O-C 3.09Å; K13-M16 PolarHBondContact O-N 2.92Å; K13-M16 VanDerWaalsContact O-O 3.06Å |
| 14 | P | 74.7 | Confident | 79.9 | Confident | 150 Ų | 150 | 70.8 Ų | 70.8 | 97% | 0.974 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -26.2 | 176.3 | 22 | -33.7 | 0 | 0 | 0 | 113.4 | ||
| 15 | D | 75.7 | Confident | 79.8 | Confident | 129 Ų | 129 | 74.6 Ų | 74.6 | 69% | 0.69 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -19.8 | 176.9 | -165 | 50.8 | 0 | 0 | 0 | 113.4 | K13 | K13-D15 PolarHBondContact O-N 3.31Š|
| 16 | M | 71.8 | Confident | 79.7 | Confident | 102 Ų | 102 | 72.8 Ų | 72.8 | 50% | 0.502 | 41% | 0.408 | S | S | . | . | B | Isolated β-bridge | trans | -139.9 | 91.2 | -177.9 | -65.5 | -152 | -172.9 | 0 | 0 | 110.7 | K13 C18 | K13-M16 PolarHBondContact N-O 2.92Å; K13-M16 CarbonylContact O-C 3.09Å; K13-M16 PolarHBondContact O-N 2.92Å; K13-M16 VanDerWaalsContact O-O 3.06Å; M16-C18 PolarHBondContact O-N 3.33Å |
| 17 | E | 77.6 | Confident | 79.6 | Confident | 120 Ų | 120 | 67.3 Ų | 67.3 | 56% | 0.561 | 39% | 0.386 | S | S | * | . | trans | -75.6 | 112.3 | 177.3 | -169.5 | 173.5 | 167.1 | 0 | 0 | 110.4 | S12 H19 N29 | S12-E17 WeakPolarHBondContact OG-CA 3.2Å; E17-H19 IonicContact OE1-CE1 3.12Å; E17-H19 PolarHBondContact OE1-CE1 3.23Å; E17-H19 IonicContact OE1-NE2 3.89Å; E17-N29 WeakPolarHBondContact O-CA 3.34Å; E17-N29 WeakPolarHBondContact O-CB 3.36Å | ||
| 18 | C | 80.1 | Confident | 79.5 | Confident | 20 Ų | 20 | 64 Ų | 64 | 14% | 0.135 | 37% | 0.365 | C | S | . | . | trans | -92.9 | 139.4 | 177.7 | -73.5 | 0 | 0 | 0 | 0 | 110.7 | C8 S12 M16 | C8-C18 WeakPolarHBondContact O-CB 3.39Å; S12-C18 PolarHBondContact OG-N 2.91Å; S12-C18 VanDerWaalsContact OG-N 3.11Å; M16-C18 PolarHBondContact O-N 3.33Å | ||
| 19 | H | 82.4 | Confident | 79.1 | Confident | 51 Ų | 51 | 65 Ų | 65 | 24% | 0.236 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 146.7 | 178.9 | -64 | -59.3 | 0 | 0 | 0 | 111.5 | C8 E17 C27 S28 W38 N47 | C8-H19 VanDerWaalsContact SG-C 3.56Å; C8-H19 PolarHBondContact SG-O 3.43Å; C8-H19 VanDerWaalsContact SG-O 3.36Å; E17-H19 IonicContact OE1-CE1 3.12Å; E17-H19 PolarHBondContact OE1-CE1 3.23Å; E17-H19 IonicContact OE1-NE2 3.89Å; H19-C27 WeakPolarHBondContact O-CA 3.15Å; H19-S28 PolarHBondContact N-O 3.48Å; H19-S28 PolarHBondContact O-N 3.09Å; H19-W38 HydrophobicContact CB-CH2 3.27Å; H19-W38 HydrophobicContact CB-CZ2 3.64Å; H19-W38 HydrophobicContact CB-CZ3 4.2Å; H19-W38 VanDerWaalsContact O-CH2 3.32Å; H19-W38 WeakPolarHBondContact O-CH2 3.37Å; H19-W38 VanDerWaalsContact O-CZ3 3.25Å; H19-W38 WeakPolarHBondContact O-CZ3 3.25Å; H19-N47 VanDerWaalsContact CB-ND2 3.26Å; H19-N47 WeakPolarHBondContact CB-ND2 3.41Å; H19-N47 PolarHBondContact ND1-ND2 2.86Å |
| 20 | W | 84 | Confident | 78.4 | Confident | 25 Ų | 25 | 61.9 Ų | 61.9 | 10% | 0.095 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 120.1 | -179.6 | 178.5 | -105.9 | 0 | 0 | 0 | 112.1 | V3 N5 C8 S22 N25 C27 N47 | V3-W20 HydrophobicContact CB-CZ3 4.41Å; V3-W20 HydrophobicContact CG1-CZ3 4.46Å; V3-W20 WeakPolarHBondContact O-CH2 3.35Å; V3-W20 WeakPolarHBondContact O-CZ3 3.32Å; N5-W20 HydrophobicContact CB-CD2 3.87Å; N5-W20 HydrophobicContact CB-CG 3.83Å; N5-W20 WeakPolarHBondContact OD1-CB 3.32Å; N5-W20 VanDerWaalsContact OD1-CG 3.24Å; C8-W20 HydrophobicContact CB-CE3 3.82Å; W20-S22 PolarHBondContact NE1-OG 3.5Å; W20-N25 HydrophobicContact CH2-CB 4.36Å; W20-N25 HydrophobicContact CZ2-CB 4.35Å; W20-C27 HydrophobicContact CE3-CB 4.2Å; W20-C27 HydrophobicContact CZ3-CB 4.39Å; W20-N47 PolarHBondContact O-OD1 2.94Å |
| 21 | C | 82.1 | Confident | 77.5 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 106.4 | 172.1 | -172.1 | 0 | 0 | 0 | 0 | 111.8 | T23 A24 N25 L26 W38 C43 | C21-T23 VanDerWaalsContact C-N 3.29Å; C21-T23 PolarHBondContact O-N 3.42Å; C21-A24 PolarHBondContact O-N 3.03Å; C21-N25 WeakPolarHBondContact O-CA 3.37Å; C21-N25 PolarHBondContact O-N 3.39Å; C21-L26 HydrophobicContact CB-CD1 3.96Å; C21-L26 HydrophobicContact CB-CG 4.15Å; C21-L26 PolarHBondContact N-O 3.31Å; C21-L26 PolarHBondContact O-N 2.91Å; C21-W38 HydrophobicContact CB-CE3 4.17Å; C21-W38 HydrophobicContact CB-CH2 4.02Å; C21-W38 HydrophobicContact CB-CZ3 3.71Å; C21-C43 HydrophobicContact CB-CB 3.48Å; C21-C43 VanDerWaalsContact CB-CB 3.48Å; C21-C43 WeakPolarHBondContact CB-SG 3.32Å; C21-C43 WeakPolarHBondContact SG-CB 3.28Å; C21-C43 CovalentContact SG-SG 2Å; C21-C43 PolarHBondContact SG-SG 2.89Å |
| 22 | S | 81.2 | Confident | 76.7 | Confident | 37 Ų | 37 | 67.7 Ų | 67.7 | 26% | 0.259 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -28.6 | 176.2 | -63.8 | 0 | 0 | 0 | 0 | 113.5 | W20 A24 K50 | W20-S22 PolarHBondContact NE1-OG 3.5Å; S22-A24 VanDerWaalsContact C-N 3.34Å; S22-A24 PolarHBondContact O-N 3.5Å; S22-K50 WeakPolarHBondContact OG-CE 2.84Å; S22-K50 PolarHBondContact OG-NZ 3.37Å |
| 23 | T | 77.9 | Confident | 76 | Confident | 74 Ų | 74 | 72.5 Ų | 72.5 | 45% | 0.454 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -40.2 | 179.2 | -44.5 | 0 | 0 | 0 | 0 | 111.8 | C21 N41 N46 | C21-T23 VanDerWaalsContact C-N 3.29Å; C21-T23 PolarHBondContact O-N 3.42Å; T23-N41 HydrophobicContact CG2-CB 4.12Å; T23-N41 PolarHBondContact OG1-O 3.15Å; T23-N46 PolarHBondContact OG1-ND2 3.4Å |
| 24 | A | 74.4 | Confident | 75.4 | Confident | 29 Ų | 29 | 69.5 Ų | 69.5 | 24% | 0.24 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | 1.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | C21 S22 L26 N41 | C21-A24 PolarHBondContact O-N 3.03Å; S22-A24 VanDerWaalsContact C-N 3.34Å; S22-A24 PolarHBondContact O-N 3.5Å; A24-L26 HydrophobicContact CB-CD2 3.36Å; A24-L26 HydrophobicContact CB-CG 3.69Å; A24-L26 PolarHBondContact O-N 2.94Å; A24-N41 HydrophobicContact CB-CB 3.77Å; A24-N41 WeakPolarHBondContact CB-ND2 3.32Å |
| 25 | N | 80.3 | Confident | 75 | Confident | 118 Ų | 118 | 64.1 Ų | 64.1 | 63% | 0.631 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47 | 44.8 | -174.7 | -65.2 | -67.1 | 0 | 0 | 0 | 112.5 | W20 C21 | W20-N25 HydrophobicContact CH2-CB 4.36Å; W20-N25 HydrophobicContact CZ2-CB 4.35Å; C21-N25 WeakPolarHBondContact O-CA 3.37Å; C21-N25 PolarHBondContact O-N 3.39Å |
| 26 | L | 79.1 | Confident | 74.7 | Confident | 25 Ų | 25 | 65.5 Ų | 65.5 | 13% | 0.131 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 149.6 | -178.1 | 64.9 | 83.1 | 0 | 0 | 0 | 110.8 | C21 A24 L34 A37 W38 | C21-L26 HydrophobicContact CB-CD1 3.96Å; C21-L26 HydrophobicContact CB-CG 4.15Å; C21-L26 PolarHBondContact N-O 3.31Å; C21-L26 PolarHBondContact O-N 2.91Å; A24-L26 HydrophobicContact CB-CD2 3.36Å; A24-L26 HydrophobicContact CB-CG 3.69Å; A24-L26 PolarHBondContact O-N 2.94Å; L26-L34 HydrophobicContact CB-CD2 4.18Å; L26-L34 HydrophobicContact CD1-CD2 4.15Å; L26-L34 HydrophobicContact CD2-CD2 4.19Å; L26-L34 HydrophobicContact CG-CD2 4.41Å; L26-A37 HydrophobicContact CD2-CB 4.05Å; L26-W38 HydrophobicContact CD1-CE3 3.42Å; L26-W38 VanDerWaalsContact CD1-CE3 3.42Å; L26-W38 HydrophobicContact CD1-CZ3 3.75Å |
| 27 | C | 79.8 | Confident | 74.5 | Confident | 30 Ų | 30 | 62.1 Ų | 62.1 | 20% | 0.203 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 131.3 | 171.8 | -176.1 | 0 | 0 | 0 | 0 | 108.3 | V3 C8 H19 W20 | V3-C27 HydrophobicContact CG1-CB 4.07Å; C8-C27 WeakPolarHBondContact CA-SG 3.33Å; C8-C27 HydrophobicContact CB-CB 3.53Å; C8-C27 WeakPolarHBondContact CB-SG 3.23Å; C8-C27 VanDerWaalsContact SG-CA 3.56Å; C8-C27 WeakPolarHBondContact SG-CB 3.27Å; C8-C27 CovalentContact SG-SG 2.02Å; C8-C27 PolarHBondContact SG-SG 3.32Å; H19-C27 WeakPolarHBondContact O-CA 3.15Å; W20-C27 HydrophobicContact CE3-CB 4.2Å; W20-C27 HydrophobicContact CZ3-CB 4.39Å |
| 28 | S | 80.2 | Confident | 74.2 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.007 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 152.7 | 170.8 | -175.5 | 0 | 0 | 0 | 0 | 110.5 | H19 G30 D32 | H19-S28 PolarHBondContact N-O 3.48Å; H19-S28 PolarHBondContact O-N 3.09Å; S28-G30 PolarHBondContact O-N 3.05Å; S28-G30 PolarHBondContact OG-N 3.22Å; S28-D32 PolarHBondContact OG-OD2 3.41Å |
| 29 | N | 75.3 | Confident | 73.8 | Confident | 23 Ų | 23 | 61.3 Ų | 61.3 | 12% | 0.123 | 33% | 0.328 | C | S | . | . | trans | -84.4 | 6.7 | 173 | 64.5 | 18.8 | 0 | 0 | 0 | 113.5 | E17 R31 D32 | E17-N29 WeakPolarHBondContact O-CA 3.34Å; E17-N29 WeakPolarHBondContact O-CB 3.36Å; N29-R31 PolarHBondContact O-N 3.29Å; N29-R31 WeakPolarHBondContact OD1-CA 3.24Å; N29-R31 PolarHBondContact OD1-N 3.3Å; N29-D32 VanDerWaalsContact CG-OD1 3.29Å; N29-D32 PolarHBondContact N-OD2 3.04Å; N29-D32 VanDerWaalsContact N-OD2 3.08Å; N29-D32 VanDerWaalsContact ND2-CG 3.32Å; N29-D32 PolarHBondContact ND2-OD1 2.93Å; N29-D32 PolarHBondContact ND2-OD2 3.28Å; N29-D32 PolarHBondContact OD1-N 3.39Å; N29-D32 PolarHBondContact OD1-OD1 2.86Å; N29-D32 PolarHBondContact OD1-OD2 3.3Å | ||
| 30 | G | 66.7 | Low | 73.5 | Confident | 27 Ų | 27 | 65.1 Ų | 65.1 | 28% | 0.278 | 35% | 0.349 | S | S | . | . | S | Bend | trans | 73 | -12.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | S28 S35 | S28-G30 PolarHBondContact O-N 3.05Å; S28-G30 PolarHBondContact OG-N 3.22Å; G30-S35 PolarHBondContact O-OG 3.44Å; G30-S35 VanDerWaalsContact O-OG 3.1Å |
| 31 | R | 64.1 | Low | 72.8 | Confident | 205 Ų | 205 | 66.4 Ų | 66.4 | 77% | 0.774 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -102.6 | -12.5 | 175.7 | -80.6 | -173.8 | -88.5 | 165.9 | -4.6 | 113.8 | N29 | N29-R31 PolarHBondContact O-N 3.29Å; N29-R31 WeakPolarHBondContact OD1-CA 3.24Å; N29-R31 PolarHBondContact OD1-N 3.3Å |
| 32 | D | 64.3 | Low | 72.2 | Confident | 66 Ų | 66 | 71.3 Ų | 71.3 | 35% | 0.353 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -69.8 | 166 | 178.7 | -56.1 | -49.8 | 0 | 0 | 0 | 112.6 | S28 N29 L34 S35 | S28-D32 PolarHBondContact OG-OD2 3.41Å; N29-D32 VanDerWaalsContact CG-OD1 3.29Å; N29-D32 PolarHBondContact N-OD2 3.04Å; N29-D32 VanDerWaalsContact N-OD2 3.08Å; N29-D32 VanDerWaalsContact ND2-CG 3.32Å; N29-D32 PolarHBondContact ND2-OD1 2.93Å; N29-D32 PolarHBondContact ND2-OD2 3.28Å; N29-D32 PolarHBondContact OD1-N 3.39Å; N29-D32 PolarHBondContact OD1-OD1 2.86Å; N29-D32 PolarHBondContact OD1-OD2 3.3Å; D32-L34 HydrophobicContact CB-CB 4.48Å; D32-L34 PolarHBondContact O-N 3.45Å; D32-S35 VanDerWaalsContact O-CB 3.23Å; D32-S35 WeakPolarHBondContact O-CB 3.41Å; D32-S35 PolarHBondContact O-N 3.49Å |
| 33 | T | 66 | Low | 71.9 | Confident | 147 Ų | 147 | 69.6 Ų | 69.6 | 90% | 0.902 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | -20 | 170.4 | -40 | 0 | 0 | 0 | 0 | 113.1 | S35 | T33-S35 VanDerWaalsContact C-N 3.28Å; T33-S35 PolarHBondContact O-N 2.81Å |
| 34 | L | 65.7 | Low | 71.4 | Confident | 81 Ų | 81 | 70.9 Ų | 70.9 | 42% | 0.424 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -1.6 | 176.2 | -128.4 | 69.8 | 0 | 0 | 0 | 114.5 | L26 D32 K36 A37 W38 | L26-L34 HydrophobicContact CB-CD2 4.18Å; L26-L34 HydrophobicContact CD1-CD2 4.15Å; L26-L34 HydrophobicContact CD2-CD2 4.19Å; L26-L34 HydrophobicContact CG-CD2 4.41Å; D32-L34 HydrophobicContact CB-CB 4.48Å; D32-L34 PolarHBondContact O-N 3.45Å; L34-K36 PolarHBondContact O-N 3.23Å; L34-K36 VanDerWaalsContact O-N 3.13Å; L34-A37 HydrophobicContact CG-CB 4.4Å; L34-A37 PolarHBondContact O-N 2.95Å; L34-W38 PolarHBondContact O-N 3.09Å |
| 35 | S | 65.8 | Low | 70.6 | Confident | 36 Ų | 36 | 77.2 Ų | 77.2 | 25% | 0.252 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -54.8 | -32.3 | 179.4 | -172.6 | 0 | 0 | 0 | 0 | 112.7 | G30 D32 T33 W38 M39 | G30-S35 PolarHBondContact O-OG 3.44Å; G30-S35 VanDerWaalsContact O-OG 3.1Å; D32-S35 VanDerWaalsContact O-CB 3.23Å; D32-S35 WeakPolarHBondContact O-CB 3.41Å; D32-S35 PolarHBondContact O-N 3.49Å; T33-S35 VanDerWaalsContact C-N 3.28Å; T33-S35 PolarHBondContact O-N 2.81Å; S35-W38 WeakPolarHBondContact O-CB 3.5Å; S35-W38 PolarHBondContact O-N 3.14Å; S35-M39 WeakPolarHBondContact O-CG 3.34Å; S35-M39 PolarHBondContact O-N 3.36Å |
| 36 | K | 69.2 | Low | 69.3 | Low | 159 Ų | 159 | 74.9 Ų | 74.9 | 69% | 0.691 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -61.2 | -50.2 | 172.7 | -71.2 | -177.8 | -179 | 178.1 | 0 | 112.4 | L34 W38 M39 I40 | L34-K36 PolarHBondContact O-N 3.23Å; L34-K36 VanDerWaalsContact O-N 3.13Å; K36-W38 VanDerWaalsContact C-N 3.28Å; K36-W38 PolarHBondContact O-N 3.47Å; K36-M39 PolarHBondContact O-N 3.01Å; K36-I40 WeakPolarHBondContact O-CB 3.23Å; K36-I40 WeakPolarHBondContact O-CD1 3.38Å; K36-I40 WeakPolarHBondContact O-CG1 3.4Å; K36-I40 PolarHBondContact O-N 2.93Å |
| 37 | A | 67.8 | Low | 68.1 | Low | 31 Ų | 31 | 77.1 Ų | 77.1 | 26% | 0.256 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67.5 | -33 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L26 L34 N41 | L26-A37 HydrophobicContact CD2-CB 4.05Å; L34-A37 HydrophobicContact CG-CB 4.4Å; L34-A37 PolarHBondContact O-N 2.95Å; A37-N41 WeakPolarHBondContact O-CB 3.08Å; A37-N41 PolarHBondContact O-N 3.04Å; A37-N41 VanDerWaalsContact O-N 3.14Å; A37-N41 PolarHBondContact O-ND2 3.44Å |
| 38 | W | 73.1 | Confident | 66.6 | Low | 12 Ų | 12 | 84.2 Ų | 84.2 | 5% | 0.045 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -60.2 | -48.3 | 173.5 | -170 | -87.3 | 0 | 0 | 0 | 112 | H19 C21 L26 L34 S35 K36 N42 C43 T44 | H19-W38 HydrophobicContact CB-CH2 3.27Å; H19-W38 HydrophobicContact CB-CZ2 3.64Å; H19-W38 HydrophobicContact CB-CZ3 4.2Å; H19-W38 VanDerWaalsContact O-CH2 3.32Å; H19-W38 WeakPolarHBondContact O-CH2 3.37Å; H19-W38 VanDerWaalsContact O-CZ3 3.25Å; H19-W38 WeakPolarHBondContact O-CZ3 3.25Å; C21-W38 HydrophobicContact CB-CE3 4.17Å; C21-W38 HydrophobicContact CB-CH2 4.02Å; C21-W38 HydrophobicContact CB-CZ3 3.71Å; L26-W38 HydrophobicContact CD1-CE3 3.42Å; L26-W38 VanDerWaalsContact CD1-CE3 3.42Å; L26-W38 HydrophobicContact CD1-CZ3 3.75Å; L34-W38 PolarHBondContact O-N 3.09Å; S35-W38 WeakPolarHBondContact O-CB 3.5Å; S35-W38 PolarHBondContact O-N 3.14Å; K36-W38 VanDerWaalsContact C-N 3.28Å; K36-W38 PolarHBondContact O-N 3.47Å; W38-N42 PolarHBondContact O-N 3.39Å; W38-C43 HydrophobicContact CD2-CB 3.4Å; W38-C43 VanDerWaalsContact CD2-CB 3.4Å; W38-C43 HydrophobicContact CE3-CB 3.87Å; W38-C43 HydrophobicContact CG-CB 3.73Å; W38-C43 HydrophobicContact CH2-CB 4.06Å; W38-C43 HydrophobicContact CZ2-CB 3.68Å; W38-C43 HydrophobicContact CZ3-CB 4.18Å; W38-C43 VanDerWaalsContact O-CB 3.28Å; W38-C43 WeakPolarHBondContact O-CB 3.13Å; W38-C43 PolarHBondContact O-N 2.97Å; W38-C43 PolarHBondContact O-SG 3.49Å; W38-C43 VanDerWaalsContact O-SG 3.38Å; W38-T44 PolarHBondContact NE1-OG1 3.1Å |
| 39 | M | 71.6 | Confident | 65.1 | Low | 110 Ų | 110 | 92.2 Ų | 92.2 | 54% | 0.542 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -68 | -45.3 | 178.2 | -71.9 | -172 | -69.7 | 0 | 0 | 112.3 | S35 K36 N41 N42 | S35-M39 WeakPolarHBondContact O-CG 3.34Å; S35-M39 PolarHBondContact O-N 3.36Å; K36-M39 PolarHBondContact O-N 3.01Å; M39-N41 PolarHBondContact O-N 3.32Å; M39-N42 PolarHBondContact O-N 3.04Å; M39-N42 VanDerWaalsContact O-N 3.07Å |
| 40 | I | 74.9 | Confident | 63.8 | Low | 131 Ų | 131 | 98 Ų | 98 | 67% | 0.672 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.7 | -38.1 | -179.4 | -69.9 | 164 | 0 | 0 | 0 | 111.2 | K36 N42 | K36-I40 WeakPolarHBondContact O-CB 3.23Å; K36-I40 WeakPolarHBondContact O-CD1 3.38Å; K36-I40 WeakPolarHBondContact O-CG1 3.4Å; K36-I40 PolarHBondContact O-N 2.93Å; I40-N42 VanDerWaalsContact C-N 3.29Å; I40-N42 PolarHBondContact O-N 2.82Å |
| 41 | N | 68.8 | Low | 63.1 | Low | 53 Ų | 53 | 104.4 Ų | 104.4 | 28% | 0.283 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 13.6 | -178.6 | -68.5 | -67.9 | 0 | 0 | 0 | 113.8 | T23 A24 A37 M39 C43 | T23-N41 HydrophobicContact CG2-CB 4.12Å; T23-N41 PolarHBondContact OG1-O 3.15Å; A24-N41 HydrophobicContact CB-CB 3.77Å; A24-N41 WeakPolarHBondContact CB-ND2 3.32Å; A37-N41 WeakPolarHBondContact O-CB 3.08Å; A37-N41 PolarHBondContact O-N 3.04Å; A37-N41 VanDerWaalsContact O-N 3.14Å; A37-N41 PolarHBondContact O-ND2 3.44Å; M39-N41 PolarHBondContact O-N 3.32Å; N41-C43 VanDerWaalsContact CB-SG 3.53Å; N41-C43 PolarHBondContact O-N 3.03Å; N41-C43 VanDerWaalsContact O-N 3.1Å |
| 42 | N | 70.2 | Confident | 62.3 | Low | 103 Ų | 103 | 104.8 Ų | 104.8 | 55% | 0.551 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 30 | -179.4 | -74 | -60 | 0 | 0 | 0 | 113.9 | W38 M39 I40 T44 K45 | W38-N42 PolarHBondContact O-N 3.39Å; M39-N42 PolarHBondContact O-N 3.04Å; M39-N42 VanDerWaalsContact O-N 3.07Å; I40-N42 VanDerWaalsContact C-N 3.29Å; I40-N42 PolarHBondContact O-N 2.82Å; N42-T44 PolarHBondContact O-N 3.13Å; N42-K45 PolarHBondContact O-N 2.81Å |
| 43 | C | 75.1 | Confident | 61.2 | Low | 0 Ų | 0 | 111.3 Ų | 111.3 | 0% | 0 | 56% | 0.556 | C | S | . | * | G | 310 helix | trans | -66 | -22.2 | -174.8 | -57.8 | 0 | 0 | 0 | 0 | 112.9 | C21 W38 N41 K45 N46 | C21-C43 HydrophobicContact CB-CB 3.48Å; C21-C43 VanDerWaalsContact CB-CB 3.48Å; C21-C43 WeakPolarHBondContact CB-SG 3.32Å; C21-C43 WeakPolarHBondContact SG-CB 3.28Å; C21-C43 CovalentContact SG-SG 2Å; C21-C43 PolarHBondContact SG-SG 2.89Å; W38-C43 HydrophobicContact CD2-CB 3.4Å; W38-C43 VanDerWaalsContact CD2-CB 3.4Å; W38-C43 HydrophobicContact CE3-CB 3.87Å; W38-C43 HydrophobicContact CG-CB 3.73Å; W38-C43 HydrophobicContact CH2-CB 4.06Å; W38-C43 HydrophobicContact CZ2-CB 3.68Å; W38-C43 HydrophobicContact CZ3-CB 4.18Å; W38-C43 VanDerWaalsContact O-CB 3.28Å; W38-C43 WeakPolarHBondContact O-CB 3.13Å; W38-C43 PolarHBondContact O-N 2.97Å; W38-C43 PolarHBondContact O-SG 3.49Å; W38-C43 VanDerWaalsContact O-SG 3.38Å; N41-C43 VanDerWaalsContact CB-SG 3.53Å; N41-C43 PolarHBondContact O-N 3.03Å; N41-C43 VanDerWaalsContact O-N 3.1Å; C43-K45 PolarHBondContact O-N 3.46Å; C43-N46 PolarHBondContact O-N 2.84Å |
| 44 | T | 67 | Low | 60.2 | Low | 101 Ų | 101 | 109.5 Ų | 109.5 | 62% | 0.62 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -61.9 | -24.8 | 177.5 | -41.1 | 0 | 0 | 0 | 0 | 113.3 | W38 N42 | W38-T44 PolarHBondContact NE1-OG1 3.1Å; N42-T44 PolarHBondContact O-N 3.13Å |
| 45 | K | 57.6 | Low | 59.3 | Low | 163 Ų | 163 | 113.9 Ų | 113.9 | 71% | 0.709 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -94.9 | -17.5 | -179.7 | -69.2 | -178.4 | 178.3 | 178.7 | 0 | 113.6 | N42 C43 | N42-K45 PolarHBondContact O-N 2.81Å; C43-K45 PolarHBondContact O-N 3.46Å |
| 46 | N | 53.6 | Low | 58.4 | Low | 68 Ų | 68 | 120.6 Ų | 120.6 | 36% | 0.364 | 60% | 0.6 | S | S | . | * | G | 310 helix | trans | -93.6 | 0 | -163.5 | -73.5 | 2 | 0 | 0 | 0 | 114.8 | T23 C43 M48 | T23-N46 PolarHBondContact OG1-ND2 3.4Å; C43-N46 PolarHBondContact O-N 2.84Å; N46-M48 PolarHBondContact O-N 3.35Å |
| 47 | N | 53.3 | Low | 57.2 | Low | 73 Ų | 73 | 120.9 Ų | 120.9 | 39% | 0.39 | 60% | 0.601 | S | S | . | * | G | 310 helix | trans | -74.5 | -4 | 172.8 | -76.5 | -10.6 | 0 | 0 | 0 | 114.4 | H19 W20 | H19-N47 VanDerWaalsContact CB-ND2 3.26Å; H19-N47 WeakPolarHBondContact CB-ND2 3.41Å; H19-N47 PolarHBondContact ND1-ND2 2.86Å; W20-N47 PolarHBondContact O-OD1 2.94Å |
| 48 | M | 49.2 | Very low | 56.3 | Low | 178 Ų | 178 | 125.4 Ų | 125.4 | 88% | 0.877 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -107.5 | 2.3 | -179 | -70.9 | -167.3 | 79.3 | 0 | 0 | 115 | N46 | N46-M48 PolarHBondContact O-N 3.35Š|
| 49 | Q | 47.9 | Very low | 55 | Low | 170 Ų | 170 | 134.6 Ų | 134.6 | 79% | 0.794 | 66% | 0.661 | S | S | * | * | trans | -135.8 | 74.1 | -176 | -75.8 | -174.5 | 2.7 | 0 | 0 | 112.2 | ||||
| 50 | K | 48 | Very low | 53.5 | Low | 145 Ų | 145 | 139.3 Ų | 139.3 | 63% | 0.63 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -145.9 | 35.9 | 163.2 | -121.5 | -175.3 | -171.5 | -175.3 | 0 | 115.9 | S22 | S22-K50 WeakPolarHBondContact OG-CE 2.84Å; S22-K50 PolarHBondContact OG-NZ 3.37Å |
| 51 | D | 51.7 | Low | 52.1 | Low | 161 Ų | 161 | 138.2 Ų | 138.2 | 86% | 0.861 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -137.8 | 12.8 | 172 | -70.8 | -52.6 | 0 | 0 | 0 | 115.6 | ||
| 52 | K | 48 | Very low | 50.7 | Low | 212 Ų | 212 | 144.4 Ų | 144.4 | 92% | 0.922 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -138.8 | 38.8 | -174.5 | -68.4 | -168.2 | -179.5 | 179 | 0 | 116.7 | ||
| 53 | K | 41.6 | Very low | 49.3 | Very low | 204 Ų | 204 | 146.4 Ų | 146.4 | 89% | 0.887 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -156.6 | 74.7 | 170.5 | -158 | 165.1 | -175.7 | 173.9 | 0 | 114.4 | ||
| 54 | S | 43.5 | Very low | 47.8 | Very low | 108 Ų | 108 | 153.8 Ų | 153.8 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | trans | 175.9 | 68.2 | 143.8 | 56.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 55 | D | 47.4 | Very low | 46.8 | Very low | 173 Ų | 173 | 154.9 Ų | 154.9 | 93% | 0.925 | 75% | 0.754 | S | S | * | * | trans | -131.8 | 99.6 | 154.2 | -79.9 | -51.2 | 0 | 0 | 0 | 109 | ||||
| 56 | H | 47.7 | Very low | 46 | Very low | 178 Ų | 178 | 154.6 Ų | 154.6 | 82% | 0.824 | 76% | 0.76 | S | S | * | * | trans | -53.3 | 139.7 | 162.7 | -123.7 | -77.4 | 0 | 0 | 0 | 109 | ||||
| 57 | K | 44.4 | Very low | 45.3 | Very low | 164 Ų | 164 | 161.3 Ų | 161.3 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | trans | 88.6 | 101.4 | 135.4 | -143.5 | 164.8 | -163.6 | 179.3 | 0 | 118 | ||||
| 58 | D | 48 | Very low | 44.9 | Very low | 126 Ų | 126 | 163.3 Ų | 163.3 | 67% | 0.674 | 81% | 0.806 | S | S | * | * | 77 | 124.2 | 129.6 | -59.3 | -19.6 | 0 | 0 | 0 | 121 | |||||
| 59 | K | 46.6 | Very low | 44.8 | Very low | 206 Ų | 206 | 161.5 Ų | 161.5 | 90% | 0.896 | 80% | 0.8 | S | S | * | * | trans | 78.3 | 100.4 | 151.6 | -66.3 | 170.6 | 179.5 | 179.3 | 0 | 117.9 | ||||
| 60 | K | 40 | Very low | 44.6 | Very low | 209 Ų | 209 | 162.5 Ų | 162.5 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | trans | -125.9 | 105.7 | 145.9 | -171.5 | 153.7 | -177.7 | 172.1 | 0 | 109.9 | ||||
| 61 | S | 44.2 | Very low | 44.4 | Very low | 108 Ų | 108 | 164.1 Ų | 164.1 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | trans | -74.7 | 166.4 | 164.1 | 62.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 62 | E | 40.1 | Very low | 44.2 | Very low | 182 Ų | 182 | 162.7 Ų | 162.7 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | trans | -71 | 162.8 | -165.9 | -63.7 | 157.2 | 159.6 | 0 | 0 | 115 | ||||
| 63 | H | 41.3 | Very low | 44.1 | Very low | 145 Ų | 145 | 163 Ų | 163 | 67% | 0.671 | 81% | 0.805 | S | S | * | * | trans | 82.8 | 111.7 | 148 | -132.1 | -2.3 | 0 | 0 | 0 | 118.8 | ||||
| 64 | M | 43.5 | Very low | 43.9 | Very low | 156 Ų | 156 | 162.2 Ų | 162.2 | 77% | 0.768 | 80% | 0.802 | S | S | * | * | 171.5 | 137.5 | 104.7 | -86.9 | -64.2 | 179.3 | 0 | 0 | 110.5 | |||||
| 65 | D | 44.5 | Very low | 43.5 | Very low | 123 Ų | 123 | 161.7 Ų | 161.7 | 66% | 0.658 | 80% | 0.798 | S | S | * | * | trans | -69.1 | 158.9 | -176.6 | -62.3 | -76.8 | 0 | 0 | 0 | 114.3 | ||||
| 66 | N | 42.5 | Very low | 43 | Very low | 158 Ų | 158 | 161.9 Ų | 161.9 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | trans | 92.1 | 117.1 | 148.8 | -67.9 | -30.8 | 0 | 0 | 0 | 120.5 | ||||
| 67 | K | 37.3 | Very low | 42.6 | Very low | 209 Ų | 209 | 162.3 Ų | 162.3 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | trans | 95.7 | 83.9 | 142 | -151.4 | 171 | -171.2 | 174 | 0 | 116.2 | ||||
| 68 | S | 46.1 | Very low | 42.4 | Very low | 115 Ų | 115 | 161.6 Ų | 161.6 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -158.7 | 139.7 | 142.9 | -172.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 69 | D | 47.2 | Very low | 41.9 | Very low | 140 Ų | 140 | 162.1 Ų | 162.1 | 75% | 0.749 | 80% | 0.8 | S | S | * | * | trans | -54 | 152.7 | -173.5 | -59.9 | -84.5 | 0 | 0 | 0 | 115.9 | ||||
| 70 | Q | 43.2 | Very low | 41.6 | Very low | 191 Ų | 191 | 159.7 Ų | 159.7 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | trans | 52.9 | 120.4 | 156.4 | -72 | 179.2 | -9.3 | 0 | 0 | 117.1 | ||||
| 71 | K | 43.9 | Very low | 41.3 | Very low | 179 Ų | 179 | 159.4 Ų | 159.4 | 78% | 0.778 | 80% | 0.795 | S | S | * | * | 159.7 | 115.8 | 108.9 | -167.3 | 160.9 | -172.1 | 173.5 | 0 | 110.9 | |||||
| 72 | D | 48.4 | Very low | 41.2 | Very low | 130 Ų | 130 | 158.7 Ų | 158.7 | 70% | 0.695 | 79% | 0.79 | S | S | * | * | trans | 68.9 | 103.3 | 149.1 | -54.2 | -23.2 | 0 | 0 | 0 | 119.6 | K74 | D72-K74 PolarHBondContact O-N 3.43Š| ||
| 73 | K | 44.9 | Very low | 41.3 | Very low | 218 Ų | 218 | 156.9 Ų | 156.9 | 95% | 0.948 | 79% | 0.786 | S | S | * | * | trans | -48.7 | 118.1 | 162.8 | -75.8 | 172.4 | 172 | 177.4 | 0 | 111.1 | ||||
| 74 | K | 37.5 | Very low | 41.4 | Very low | 189 Ų | 189 | 158.6 Ų | 158.6 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | trans | -80.7 | 151.3 | 163.3 | 174.9 | 173.3 | 176.2 | -176.5 | 0 | 109.9 | D72 | D72-K74 PolarHBondContact O-N 3.43Š| ||
| 75 | S | 34.6 | Very low | 41.3 | Very low | 96 Ų | 96 | 158.6 Ų | 158.6 | 67% | 0.671 | 79% | 0.79 | S | S | * | * | trans | 75 | 105.1 | 165.6 | -81.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 76 | E | 37.9 | Very low | 41.3 | Very low | 177 Ų | 177 | 160.3 Ų | 160.3 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | 170 | 110.2 | 113.1 | -88.8 | 167.5 | -172.4 | 0 | 0 | 109.3 | |||||
| 77 | Q | 38.3 | Very low | 41.5 | Very low | 188 Ų | 188 | 159.6 Ų | 159.6 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | trans | -157.1 | 95.2 | 152.4 | -119.4 | -176.7 | -47 | 0 | 0 | 105.3 | ||||
| 78 | M | 39.9 | Very low | 42.1 | Very low | 149 Ų | 149 | 159 Ų | 159 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | 42.6 | 107 | 74.8 | -75.5 | -167 | 178.7 | 0 | 0 | 111.8 | |||||
| 79 | D | 37.3 | Very low | 42.6 | Very low | 137 Ų | 137 | 157.3 Ų | 157.3 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | 30.9 | 107.8 | 127.1 | -52.6 | -66.9 | 0 | 0 | 0 | 115.5 | |||||
| 80 | N | 41.5 | Very low | 43.2 | Very low | 154 Ų | 154 | 158.3 Ų | 158.3 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | trans | -177.8 | 106.5 | 134.1 | -89.3 | -34.4 | 0 | 0 | 0 | 111.6 | ||||
| 81 | K | 34.3 | Very low | 44.3 | Very low | 203 Ų | 203 | 157.7 Ų | 157.7 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | trans | -11.6 | 119.3 | 137.3 | -174.9 | 174.9 | -168 | 161.7 | 0 | 114.9 | ||||
| 82 | S | 40.4 | Very low | 45.8 | Very low | 93 Ų | 93 | 153.9 Ų | 153.9 | 65% | 0.65 | 76% | 0.764 | S | S | * | * | trans | 169.6 | 130.8 | 134.5 | 37 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 83 | D | 43.7 | Very low | 47.4 | Very low | 144 Ų | 144 | 155.1 Ų | 155.1 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | trans | 53.2 | 117.6 | 140.3 | -56.2 | -66.1 | 0 | 0 | 0 | 118.6 | ||||
| 84 | Q | 42.7 | Very low | 49.2 | Very low | 181 Ų | 181 | 149.1 Ų | 149.1 | 85% | 0.846 | 74% | 0.738 | S | S | * | * | -173.1 | 101.9 | 86.7 | -176.3 | 171.2 | 7.1 | 0 | 0 | 108.7 | |||||
| 85 | K | 42.3 | Very low | 51.5 | Low | 157 Ų | 157 | 148.7 Ų | 148.7 | 68% | 0.683 | 73% | 0.733 | S | S | * | * | 35.2 | 114.3 | 104.3 | -93.1 | 173.8 | 176.6 | 162 | 0 | 113.1 | |||||
| 86 | D | 44.1 | Very low | 54.1 | Low | 158 Ų | 158 | 148.5 Ų | 148.5 | 85% | 0.845 | 73% | 0.727 | S | S | * | * | -139.4 | 70.2 | 92.1 | -65 | -45.1 | 0 | 0 | 0 | 114.4 | |||||
| 87 | N | 47.2 | Very low | 56.6 | Low | 144 Ų | 144 | 143.3 Ų | 143.3 | 77% | 0.77 | 71% | 0.705 | S | S | * | * | trans | -98.1 | 83.4 | 164.3 | -12 | -45.8 | 0 | 0 | 0 | 106.9 | ||||
| 88 | K | 49.9 | Very low | 59.1 | Low | 196 Ų | 196 | 138.5 Ų | 138.5 | 85% | 0.852 | 68% | 0.684 | S | S | * | * | trans | -62.8 | 137.8 | 172.2 | -135.9 | 169.8 | -168.7 | -112.7 | 0 | 108.4 | M90 | K88-M90 PolarHBondContact O-N 3.27Š| ||
| 89 | P | 55 | Low | 61.7 | Low | 79 Ų | 79 | 134.6 Ų | 134.6 | 51% | 0.513 | 67% | 0.67 | S | S | . | * | trans | -76.5 | 94.3 | -156.6 | 30.6 | -34.9 | 0 | 0 | 0 | 111.7 | F91 N92 | P89-F91 PolarHBondContact O-N 3.07Å; P89-F91 VanDerWaalsContact O-N 3.15Å; P89-N92 HydrophobicContact CB-CB 4.33Å; P89-N92 HydrophobicContact CG-CB 4.23Å; P89-N92 PolarHBondContact O-N 2.92Å; P89-N92 VanDerWaalsContact O-N 3.14Å | ||
| 90 | M | 60 | Low | 64.4 | Low | 161 Ų | 161 | 131.2 Ų | 131.2 | 79% | 0.793 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -55.8 | -27.4 | 167.5 | -110.1 | -164.3 | 172.7 | 0 | 0 | 111.7 | K88 N92 Y93 L94 | K88-M90 PolarHBondContact O-N 3.27Å; M90-N92 VanDerWaalsContact C-N 3.31Å; M90-N92 PolarHBondContact O-N 3.32Å; M90-Y93 PolarHBondContact O-N 2.92Å; M90-L94 WeakPolarHBondContact O-CB 3.37Å; M90-L94 PolarHBondContact O-N 3.04Å |
| 91 | F | 67.3 | Low | 67 | Low | 178 Ų | 178 | 127.5 Ų | 127.5 | 78% | 0.781 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -61.3 | -34.7 | 177.5 | -64.3 | -70 | 0 | 0 | 0 | 113.6 | P89 L94 Y95 | P89-F91 PolarHBondContact O-N 3.07Å; P89-F91 VanDerWaalsContact O-N 3.15Å; F91-L94 PolarHBondContact O-N 3.38Å; F91-Y95 WeakPolarHBondContact O-CB 3.17Å; F91-Y95 PolarHBondContact O-N 3.37Å |
| 92 | N | 75 | Confident | 70 | Confident | 100 Ų | 100 | 122.4 Ų | 122.4 | 54% | 0.535 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -72.6 | -39.3 | 179.8 | -161.8 | 17.9 | 0 | 0 | 0 | 111.2 | P89 M90 Y95 V96 | P89-N92 HydrophobicContact CB-CB 4.33Å; P89-N92 HydrophobicContact CG-CB 4.23Å; P89-N92 PolarHBondContact O-N 2.92Å; P89-N92 VanDerWaalsContact O-N 3.14Å; M90-N92 VanDerWaalsContact C-N 3.31Å; M90-N92 PolarHBondContact O-N 3.32Å; N92-Y95 PolarHBondContact O-N 2.82Å; N92-V96 WeakPolarHBondContact O-CG2 3.47Å; N92-V96 PolarHBondContact O-N 3.08Å |
| 93 | Y | 80.8 | Confident | 72.6 | Confident | 156 Ų | 156 | 119.5 Ų | 119.5 | 61% | 0.612 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.2 | -42.8 | 174.6 | -177.3 | -101.5 | 0 | 0 | 0 | 111.4 | M90 Y95 V96 L97 | M90-Y93 PolarHBondContact O-N 2.92Å; Y93-Y95 VanDerWaalsContact C-N 3.34Å; Y93-Y95 PolarHBondContact O-N 2.84Å; Y93-V96 PolarHBondContact O-N 3.03Å; Y93-L97 HydrophobicContact CD1-CD2 4.49Å; Y93-L97 HydrophobicContact CE1-CB 4.31Å; Y93-L97 HydrophobicContact CE1-CD2 3.73Å; Y93-L97 HydrophobicContact CE1-CG 4.42Å; Y93-L97 VanDerWaalsContact O-CB 3.23Å; Y93-L97 WeakPolarHBondContact O-CB 3.26Å; Y93-L97 PolarHBondContact O-N 3.31Å |
| 94 | L | 83.9 | Confident | 75.1 | Confident | 92 Ų | 92 | 117.9 Ų | 117.9 | 48% | 0.482 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63 | -41.4 | 177.8 | -163.9 | 71.7 | 0 | 0 | 0 | 111.6 | M90 F91 V96 L97 I98 | M90-L94 WeakPolarHBondContact O-CB 3.37Å; M90-L94 PolarHBondContact O-N 3.04Å; F91-L94 PolarHBondContact O-N 3.38Å; L94-V96 VanDerWaalsContact C-N 3.32Å; L94-V96 PolarHBondContact O-N 3.15Å; L94-L97 PolarHBondContact O-N 2.96Å; L94-I98 HydrophobicContact CD1-CD1 4.01Å; L94-I98 HydrophobicContact CD1-CG1 4.32Å; L94-I98 HydrophobicContact CD2-CD1 4.23Å; L94-I98 HydrophobicContact CG-CD1 3.64Å; L94-I98 HydrophobicContact CG-CG1 4.28Å; L94-I98 WeakPolarHBondContact O-CB 3.36Å; L94-I98 VanDerWaalsContact O-CG1 3.24Å; L94-I98 WeakPolarHBondContact O-CG1 2.97Å; L94-I98 PolarHBondContact O-N 2.98Å |
| 95 | Y | 86 | Confident | 77.7 | Confident | 180 Ų | 180 | 113.2 Ų | 113.2 | 71% | 0.706 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -66.5 | -28.7 | 176.1 | -175.5 | -98.3 | 0 | 0 | 0 | 113.5 | F91 N92 Y93 P99 | F91-Y95 WeakPolarHBondContact O-CB 3.17Å; F91-Y95 PolarHBondContact O-N 3.37Å; N92-Y95 PolarHBondContact O-N 2.82Å; Y93-Y95 VanDerWaalsContact C-N 3.34Å; Y93-Y95 PolarHBondContact O-N 2.84Å; Y95-P99 WeakPolarHBondContact O-CD 2.96Å; Y95-P99 WeakPolarHBondContact O-CG 3.4Å |
| 96 | V | 88.7 | Confident | 80.3 | Confident | 91 Ų | 91 | 111.2 Ų | 111.2 | 55% | 0.552 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -83.7 | -40.7 | 175.2 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | N92 Y93 L94 S100 | N92-V96 WeakPolarHBondContact O-CG2 3.47Å; N92-V96 PolarHBondContact O-N 3.08Å; Y93-V96 PolarHBondContact O-N 3.03Å; L94-V96 VanDerWaalsContact C-N 3.32Å; L94-V96 PolarHBondContact O-N 3.15Å; V96-S100 VanDerWaalsContact O-CB 3.32Å; V96-S100 WeakPolarHBondContact O-CB 3.12Å; V96-S100 PolarHBondContact O-N 3.11Å |
| 97 | L | 90.2 | Very high | 82.8 | Confident | 69 Ų | 69 | 107.5 Ų | 107.5 | 36% | 0.361 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.2 | -43.7 | -176.4 | -172.2 | 72.5 | 0 | 0 | 0 | 111.9 | Y93 L94 S100 V101 | Y93-L97 HydrophobicContact CD1-CD2 4.49Å; Y93-L97 HydrophobicContact CE1-CB 4.31Å; Y93-L97 HydrophobicContact CE1-CD2 3.73Å; Y93-L97 HydrophobicContact CE1-CG 4.42Å; Y93-L97 VanDerWaalsContact O-CB 3.23Å; Y93-L97 WeakPolarHBondContact O-CB 3.26Å; Y93-L97 PolarHBondContact O-N 3.31Å; L94-L97 PolarHBondContact O-N 2.96Å; L97-S100 PolarHBondContact O-N 3.49Å; L97-V101 HydrophobicContact CD1-CG2 4.37Å; L97-V101 HydrophobicContact CG-CG2 4.31Å; L97-V101 WeakPolarHBondContact O-CG2 3Å; L97-V101 PolarHBondContact O-N 2.98Å |
| 98 | I | 91.3 | Very high | 85.1 | Confident | 86 Ų | 86 | 104.1 Ų | 104.1 | 44% | 0.441 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.7 | -54.5 | -175.9 | -68.7 | 170.8 | 0 | 0 | 0 | 111.4 | L94 S100 V101 I102 | L94-I98 HydrophobicContact CD1-CD1 4.01Å; L94-I98 HydrophobicContact CD1-CG1 4.32Å; L94-I98 HydrophobicContact CD2-CD1 4.23Å; L94-I98 HydrophobicContact CG-CD1 3.64Å; L94-I98 HydrophobicContact CG-CG1 4.28Å; L94-I98 WeakPolarHBondContact O-CB 3.36Å; L94-I98 VanDerWaalsContact O-CG1 3.24Å; L94-I98 WeakPolarHBondContact O-CG1 2.97Å; L94-I98 PolarHBondContact O-N 2.98Å; I98-S100 VanDerWaalsContact C-N 3.31Å; I98-S100 PolarHBondContact O-N 2.87Å; I98-V101 PolarHBondContact O-N 3.36Å; I98-I102 HydrophobicContact CG2-CD1 3.65Å; I98-I102 VanDerWaalsContact O-CG1 3.27Å; I98-I102 WeakPolarHBondContact O-CG1 3.44Å; I98-I102 PolarHBondContact O-N 3.47Å |
| 99 | P | 94.7 | Very high | 87.4 | Confident | 67 Ų | 67 | 98.7 Ų | 98.7 | 44% | 0.435 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.1 | -34.9 | 176.6 | -22.8 | 35.5 | 0 | 0 | 0 | 113.1 | Y95 I102 G103 | Y95-P99 WeakPolarHBondContact O-CD 2.96Å; Y95-P99 WeakPolarHBondContact O-CG 3.4Å; P99-I102 PolarHBondContact O-N 3.38Å; P99-G103 PolarHBondContact O-N 3.02Å |
| 100 | S | 94 | Very high | 89.3 | Confident | 66 Ų | 66 | 96.9 Ų | 96.9 | 46% | 0.462 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 176.7 | -174 | 0 | 0 | 0 | 0 | 111.8 | V96 L97 I98 L104 | V96-S100 VanDerWaalsContact O-CB 3.32Å; V96-S100 WeakPolarHBondContact O-CB 3.12Å; V96-S100 PolarHBondContact O-N 3.11Å; L97-S100 PolarHBondContact O-N 3.49Å; I98-S100 VanDerWaalsContact C-N 3.31Å; I98-S100 PolarHBondContact O-N 2.87Å; S100-L104 WeakPolarHBondContact O-CG 3.35Å; S100-L104 PolarHBondContact O-N 3.14Å; S100-L104 VanDerWaalsContact O-N 3.09Å |
| 101 | V | 96.1 | Very high | 91 | Very high | 77 Ų | 77 | 96.2 Ų | 96.2 | 47% | 0.467 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68 | -43.3 | 178 | 174 | 0 | 0 | 0 | 0 | 110.7 | L97 I98 G103 L104 V105 | L97-V101 HydrophobicContact CD1-CG2 4.37Å; L97-V101 HydrophobicContact CG-CG2 4.31Å; L97-V101 WeakPolarHBondContact O-CG2 3Å; L97-V101 PolarHBondContact O-N 2.98Å; I98-V101 PolarHBondContact O-N 3.36Å; V101-G103 VanDerWaalsContact C-N 3.34Å; V101-G103 PolarHBondContact O-N 3.46Å; V101-L104 PolarHBondContact O-N 3.12Å; V101-V105 WeakPolarHBondContact O-CG2 3.47Å; V101-V105 PolarHBondContact O-N 3.2Å |
| 102 | I | 96 | Very high | 92.4 | Very high | 95 Ų | 95 | 92.3 Ų | 92.3 | 49% | 0.487 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60 | -45.6 | 177.1 | -66.3 | 165.9 | 0 | 0 | 0 | 110.7 | I98 P99 L104 V105 I106 | I98-I102 HydrophobicContact CG2-CD1 3.65Å; I98-I102 VanDerWaalsContact O-CG1 3.27Å; I98-I102 WeakPolarHBondContact O-CG1 3.44Å; I98-I102 PolarHBondContact O-N 3.47Å; P99-I102 PolarHBondContact O-N 3.38Å; I102-L104 PolarHBondContact O-N 3Å; I102-V105 PolarHBondContact O-N 2Å; I102-I106 HydrophobicContact CG2-CD1 3.93Å; I102-I106 WeakPolarHBondContact O-CG1 3.45Å; I102-I106 PolarHBondContact O-N 3.1Å; I102-I106 VanDerWaalsContact O-N 3.09Å |
| 103 | G | 95.7 | Very high | 93.4 | Very high | 32 Ų | 32 | 91.4 Ų | 91.4 | 33% | 0.33 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60 | -45.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | P99 V101 V105 I106 V107 | P99-G103 PolarHBondContact O-N 3.02Å; V101-G103 VanDerWaalsContact C-N 3.34Å; V101-G103 PolarHBondContact O-N 3.46Å; G103-V105 VanDerWaalsContact C-N 3.35Å; G103-V105 PolarHBondContact O-N 3.25Å; G103-I106 PolarHBondContact O-N 2.83Å; G103-V107 WeakPolarHBondContact O-CG2 3.14Å; G103-V107 PolarHBondContact O-N 3.43Å |
| 104 | L | 96.2 | Very high | 94.1 | Very high | 110 Ų | 110 | 92.5 Ų | 92.5 | 58% | 0.576 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61 | -41.6 | 176.5 | -73.5 | 172.9 | 0 | 0 | 0 | 112.3 | S100 V101 I102 V107 C108 | S100-L104 WeakPolarHBondContact O-CG 3.35Å; S100-L104 PolarHBondContact O-N 3.14Å; S100-L104 VanDerWaalsContact O-N 3.09Å; V101-L104 PolarHBondContact O-N 3.12Å; I102-L104 PolarHBondContact O-N 3Å; L104-V107 PolarHBondContact O-N 3.32Å; L104-C108 WeakPolarHBondContact O-CB 3.37Å; L104-C108 PolarHBondContact O-N 3.04Å; L104-C108 PolarHBondContact O-SG 2.87Å |
| 105 | V | 96.7 | Very high | 94.7 | Very high | 84 Ų | 84 | 94.6 Ų | 94.6 | 51% | 0.509 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 177.8 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | V101 I102 G103 V107 C108 V109 | V101-V105 WeakPolarHBondContact O-CG2 3.47Å; V101-V105 PolarHBondContact O-N 3.2Å; I102-V105 PolarHBondContact O-N 2Å; G103-V105 VanDerWaalsContact C-N 3.35Å; G103-V105 PolarHBondContact O-N 3.25Å; V105-V107 PolarHBondContact O-N 3.5Å; V105-C108 PolarHBondContact O-N 3.36Å; V105-V109 HydrophobicContact CG1-CG2 4.39Å; V105-V109 VanDerWaalsContact O-CG2 3.32Å; V105-V109 WeakPolarHBondContact O-CG2 2.95Å; V105-V109 PolarHBondContact O-N 3.22Å |
| 106 | I | 97 | Very high | 95.1 | Very high | 115 Ų | 115 | 94.2 Ų | 94.2 | 59% | 0.59 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.4 | -45.3 | 178.6 | -65.9 | 167.1 | 0 | 0 | 0 | 110.8 | I102 G103 V109 G110 | I102-I106 HydrophobicContact CG2-CD1 3.93Å; I102-I106 WeakPolarHBondContact O-CG1 3.45Å; I102-I106 PolarHBondContact O-N 3.1Å; I102-I106 VanDerWaalsContact O-N 3.09Å; G103-I106 PolarHBondContact O-N 2.83Å; I106-V109 PolarHBondContact O-N 3.26Å; I106-G110 PolarHBondContact O-N 3.43Å |
| 107 | V | 97 | Very high | 95.3 | Very high | 80 Ų | 80 | 94.8 Ų | 94.8 | 49% | 0.485 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.6 | -48.2 | 176.8 | 172.9 | 0 | 0 | 0 | 0 | 110.3 | G103 L104 V105 V109 G110 F111 | G103-V107 WeakPolarHBondContact O-CG2 3.14Å; G103-V107 PolarHBondContact O-N 3.43Å; L104-V107 PolarHBondContact O-N 3.32Å; V105-V107 PolarHBondContact O-N 3.5Å; V107-V109 PolarHBondContact O-N 3.19Å; V107-G110 PolarHBondContact O-N 3.45Å; V107-F111 HydrophobicContact CG1-CD2 3.61Å; V107-F111 HydrophobicContact CG1-CE2 3.72Å; V107-F111 WeakPolarHBondContact O-CD2 3.37Å; V107-F111 PolarHBondContact O-N 2.02Å |
| 108 | C | 96.4 | Very high | 95.4 | Very high | 72 Ų | 72 | 94.3 Ų | 94.3 | 49% | 0.486 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.2 | -46.7 | 177.6 | -73.4 | 0 | 0 | 0 | 0 | 112.4 | L104 V105 G110 F111 I112 | L104-C108 WeakPolarHBondContact O-CB 3.37Å; L104-C108 PolarHBondContact O-N 3.04Å; L104-C108 PolarHBondContact O-SG 2.87Å; V105-C108 PolarHBondContact O-N 3.36Å; C108-G110 PolarHBondContact O-N 2.91Å; C108-F111 PolarHBondContact O-N 3.43Å; C108-I112 WeakPolarHBondContact O-CB 3.44Å; C108-I112 WeakPolarHBondContact O-CD1 2.95Å; C108-I112 WeakPolarHBondContact O-CG1 3.13Å; C108-I112 PolarHBondContact O-N 3.38Å |
| 109 | V | 96.7 | Very high | 95.4 | Very high | 82 Ų | 82 | 98 Ų | 98 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 177.5 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | V105 I106 V107 I112 V113 | V105-V109 HydrophobicContact CG1-CG2 4.39Å; V105-V109 VanDerWaalsContact O-CG2 3.32Å; V105-V109 WeakPolarHBondContact O-CG2 2.95Å; V105-V109 PolarHBondContact O-N 3.22Å; I106-V109 PolarHBondContact O-N 3.26Å; V107-V109 PolarHBondContact O-N 3.19Å; V109-I112 PolarHBondContact O-N 3.5Å; V109-V113 HydrophobicContact CG1-CG2 4.47Å; V109-V113 WeakPolarHBondContact O-CG2 3.47Å; V109-V113 PolarHBondContact O-N 3.33Å |
| 110 | G | 96 | Very high | 95.1 | Very high | 41 Ų | 41 | 105.2 Ų | 105.2 | 42% | 0.423 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.3 | -45.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | I106 V107 C108 V113 W114 | I106-G110 PolarHBondContact O-N 3.43Å; V107-G110 PolarHBondContact O-N 3.45Å; C108-G110 PolarHBondContact O-N 2.91Å; G110-V113 PolarHBondContact O-N 3.39Å; G110-W114 VanDerWaalsContact O-CB 3.27Å; G110-W114 WeakPolarHBondContact O-CB 3.45Å; G110-W114 PolarHBondContact O-N 3.32Å |
| 111 | F | 96.3 | Very high | 94.3 | Very high | 148 Ų | 148 | 113.2 Ų | 113.2 | 65% | 0.649 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.3 | -42.3 | 175.4 | -96 | -86.7 | 0 | 0 | 0 | 112.4 | V107 C108 W114 F115 | V107-F111 HydrophobicContact CG1-CD2 3.61Å; V107-F111 HydrophobicContact CG1-CE2 3.72Å; V107-F111 WeakPolarHBondContact O-CD2 3.37Å; V107-F111 PolarHBondContact O-N 2.02Å; C108-F111 PolarHBondContact O-N 3.43Å; F111-W114 PolarHBondContact O-N 3.46Å; F111-F115 WeakPolarHBondContact O-CB 3.29Å; F111-F115 PolarHBondContact O-N 3.14Å |
| 112 | I | 96.3 | Very high | 94.2 | Very high | 95 Ų | 95 | 115 Ų | 115 | 49% | 0.487 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -60 | -54.8 | 176.1 | -69.9 | 164.4 | 0 | 0 | 0 | 109 | C108 V109 W114 F115 W116 | C108-I112 WeakPolarHBondContact O-CB 3.44Å; C108-I112 WeakPolarHBondContact O-CD1 2.95Å; C108-I112 WeakPolarHBondContact O-CG1 3.13Å; C108-I112 PolarHBondContact O-N 3.38Å; V109-I112 PolarHBondContact O-N 3.5Å; I112-W114 VanDerWaalsContact C-N 3.34Å; I112-W114 PolarHBondContact O-N 3.31Å; I112-F115 PolarHBondContact O-N 2.76Å; I112-F115 VanDerWaalsContact O-N 3.16Å; I112-W116 VanDerWaalsContact CG2-CD1 3.49Å; I112-W116 PolarHBondContact O-N 3.16Å |
| 113 | V | 96 | Very high | 94.1 | Very high | 81 Ų | 81 | 116.1 Ų | 116.1 | 49% | 0.491 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -58 | -45.5 | -180 | 174 | 0 | 0 | 0 | 0 | 111.5 | V109 G110 F115 W116 L117 | V109-V113 HydrophobicContact CG1-CG2 4.47Å; V109-V113 WeakPolarHBondContact O-CG2 3.47Å; V109-V113 PolarHBondContact O-N 3.33Å; G110-V113 PolarHBondContact O-N 3.39Å; V113-F115 PolarHBondContact O-N 3.09Å; V113-W116 PolarHBondContact O-N 3.05Å; V113-L117 HydrophobicContact CG1-CD1 4.09Å; V113-L117 HydrophobicContact CG1-CG 4.47Å; V113-L117 WeakPolarHBondContact O-CG 3.35Å; V113-L117 PolarHBondContact O-N 2.98Å |
| 114 | W | 95.1 | Very high | 94 | Very high | 180 Ų | 180 | 120.7 Ų | 120.7 | 68% | 0.682 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -58.8 | -45.3 | 176.5 | 177.5 | -89.9 | 0 | 0 | 0 | 112.3 | G110 F111 I112 L117 S118 | G110-W114 VanDerWaalsContact O-CB 3.27Å; G110-W114 WeakPolarHBondContact O-CB 3.45Å; G110-W114 PolarHBondContact O-N 3.32Å; F111-W114 PolarHBondContact O-N 3.46Å; I112-W114 VanDerWaalsContact C-N 3.34Å; I112-W114 PolarHBondContact O-N 3.31Å; W114-L117 PolarHBondContact O-N 3.32Å; W114-S118 PolarHBondContact NE1-OG 3.24Å; W114-S118 WeakPolarHBondContact O-CB 3.38Å; W114-S118 PolarHBondContact O-N 3.09Å; W114-S118 PolarHBondContact O-OG 3.32Å |
| 115 | F | 95.5 | Very high | 93.8 | Very high | 135 Ų | 135 | 121.4 Ų | 121.4 | 59% | 0.592 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.7 | -41.6 | 178.2 | -176.9 | -99.8 | 0 | 0 | 0 | 111.7 | F111 I112 V113 S118 K119 | F111-F115 WeakPolarHBondContact O-CB 3.29Å; F111-F115 PolarHBondContact O-N 3.14Å; I112-F115 PolarHBondContact O-N 2.76Å; I112-F115 VanDerWaalsContact O-N 3.16Å; V113-F115 PolarHBondContact O-N 3.09Å; F115-S118 PolarHBondContact O-N 3.01Å; F115-K119 WeakPolarHBondContact O-CB 3.2Å; F115-K119 PolarHBondContact O-N 3.01Å |
| 116 | W | 94.7 | Very high | 93.7 | Very high | 172 Ų | 172 | 123.7 Ų | 123.7 | 65% | 0.652 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -63.9 | -38.6 | 174.9 | -81.6 | 99.7 | 0 | 0 | 0 | 112.6 | I112 V113 R120 | I112-W116 VanDerWaalsContact CG2-CD1 3.49Å; I112-W116 PolarHBondContact O-N 3.16Å; V113-W116 PolarHBondContact O-N 3.05Å; W116-R120 PolarHBondContact O-N 2.8Å |
| 117 | L | 93.9 | Very high | 93.4 | Very high | 104 Ų | 104 | 124.3 Ų | 124.3 | 55% | 0.545 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -71.2 | -43.5 | 176.3 | -70.2 | 175.9 | 0 | 0 | 0 | 112 | V113 W114 K119 R120 Q121 | V113-L117 HydrophobicContact CG1-CD1 4.09Å; V113-L117 HydrophobicContact CG1-CG 4.47Å; V113-L117 WeakPolarHBondContact O-CG 3.35Å; V113-L117 PolarHBondContact O-N 2.98Å; W114-L117 PolarHBondContact O-N 3.32Å; L117-K119 PolarHBondContact O-N 3.37Å; L117-R120 PolarHBondContact O-N 2.81Å; L117-Q121 PolarHBondContact O-N 2.69Å |
| 118 | S | 92.1 | Very high | 93.2 | Very high | 59 Ų | 59 | 127.4 Ų | 127.4 | 41% | 0.413 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -64.7 | -28 | 178.7 | -58.3 | 0 | 0 | 0 | 0 | 112.5 | W114 F115 | W114-S118 PolarHBondContact NE1-OG 3.24Å; W114-S118 WeakPolarHBondContact O-CB 3.38Å; W114-S118 PolarHBondContact O-N 3.09Å; W114-S118 PolarHBondContact O-OG 3.32Å; F115-S118 PolarHBondContact O-N 3.01Å |
| 119 | K | 91.8 | Very high | 92.9 | Very high | 163 Ų | 163 | 131.7 Ų | 131.7 | 71% | 0.709 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -17.4 | 175.1 | -167.5 | 172.8 | -179.3 | 176.1 | 0 | 113 | F115 L117 | F115-K119 WeakPolarHBondContact O-CB 3.2Å; F115-K119 PolarHBondContact O-N 3.01Å; L117-K119 PolarHBondContact O-N 3.37Å |
| 120 | R | 88.1 | Confident | 92.6 | Very high | 218 Ų | 218 | 135.8 Ų | 135.8 | 82% | 0.823 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -25.2 | 176.9 | -87.7 | -163.7 | -172.9 | -177.5 | 4.1 | 113.4 | W116 L117 | W116-R120 PolarHBondContact O-N 2.8Å; L117-R120 PolarHBondContact O-N 2.81Å |
| 121 | Q | 76 | Confident | 92.3 | Very high | 234 Ų | 234 | 144.5 Ų | 144.5 | 100% | 1.093 | 65% | 0.649 | S | S | * | * | trans | -82.9 | 0 | 168.1 | -74 | -156 | -14.9 | 0 | 0 | 110.7 | L117 | L117-Q121 PolarHBondContact O-N 2.69Š|
Retrieved 121 of 121 residues in 33.9 ms
(Link to these results)