| 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 | V | 49.4 | Very low | 55.8 | Low | 175 Ų | 175 | 70.8 Ų | 70.8 | 100% | 1.061 | 44% | 0.439 | S | S | * | . | 0 | -37.5 | 0 | -173.7 | 0 | 0 | 0 | 0 | 110.7 | G3 A4 | V1-G3 VanDerWaalsContact C-N 3.31Å; V1-G3 PolarHBondContact O-N 2.99Å; V1-A4 PolarHBondContact O-N 2.8Å | |||
| 2 | S | 45.6 | Very low | 56.6 | Low | 25 Ų | 25 | 72.5 Ų | 72.5 | 18% | 0.175 | 44% | 0.443 | C | S | . | . | G | 310 helix | trans | -55.4 | -35.9 | 176.1 | -26 | 0 | 0 | 0 | 0 | 114.8 | A4 L5 Y38 D42 | S2-A4 VanDerWaalsContact C-N 3.3Å; S2-A4 PolarHBondContact O-N 2.93Å; S2-L5 PolarHBondContact O-N 3.23Å; S2-L5 VanDerWaalsContact O-N 3.15Å; S2-Y38 WeakPolarHBondContact O-CE1 3.31Å; S2-D42 PolarHBondContact OG-OD1 3.28Å |
| 3 | G | 42.9 | Very low | 57.2 | Low | 49 Ų | 49 | 68.1 Ų | 68.1 | 51% | 0.505 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -65 | -20.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | V1 | V1-G3 VanDerWaalsContact C-N 3.31Å; V1-G3 PolarHBondContact O-N 2.99Å |
| 4 | A | 53.4 | Low | 57.6 | Low | 79 Ų | 79 | 69.6 Ų | 69.6 | 65% | 0.653 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -76.8 | -24.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V1 S2 L6 | V1-A4 PolarHBondContact O-N 2.8Å; S2-A4 VanDerWaalsContact C-N 3.3Å; S2-A4 PolarHBondContact O-N 2.93Å; A4-L6 VanDerWaalsContact C-N 3.26Å; A4-L6 PolarHBondContact O-N 3.34Å |
| 5 | L | 51 | Low | 58.1 | Low | 106 Ų | 106 | 74.7 Ų | 74.7 | 56% | 0.555 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -13.2 | 177.9 | -68 | 157.8 | 0 | 0 | 0 | 112.1 | S2 Y38 | S2-L5 PolarHBondContact O-N 3.23Å; S2-L5 VanDerWaalsContact O-N 3.15Å; L5-Y38 HydrophobicContact CB-CE1 3.96Å; L5-Y38 WeakPolarHBondContact CB-OH 3.46Å; L5-Y38 PolarHBondContact O-OH 3.39Å |
| 6 | L | 51.3 | Low | 58.4 | Low | 60 Ų | 60 | 78.9 Ų | 78.9 | 31% | 0.314 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -28 | 179.8 | -94.6 | 169.6 | 0 | 0 | 0 | 113.9 | A4 D8 W9 A34 Y38 | A4-L6 VanDerWaalsContact C-N 3.26Å; A4-L6 PolarHBondContact O-N 3.34Å; L6-D8 PolarHBondContact O-N 1.98Å; L6-W9 PolarHBondContact O-N 3.46Å; L6-A34 HydrophobicContact CD2-CB 3.6Å; L6-Y38 HydrophobicContact CB-CE2 4.26Å; L6-Y38 HydrophobicContact CD1-CD2 3.81Å; L6-Y38 HydrophobicContact CD1-CE2 4.28Å; L6-Y38 HydrophobicContact CD1-CG 4.05Å; L6-Y38 HydrophobicContact CD2-CD2 3.15Å; L6-Y38 HydrophobicContact CD2-CE2 3.17Å; L6-Y38 HydrophobicContact CD2-CG 4.18Å; L6-Y38 HydrophobicContact CG-CD1 4.42Å; L6-Y38 HydrophobicContact CG-CD2 3.26Å; L6-Y38 HydrophobicContact CG-CE1 4.38Å; L6-Y38 HydrophobicContact CG-CE2 3.25Å; L6-Y38 HydrophobicContact CG-CG 3.89Å |
| 7 | T | 61 | Low | 58.5 | Low | 99 Ų | 99 | 77.3 Ų | 77.3 | 61% | 0.607 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -36.1 | -167 | -50.9 | 0 | 0 | 0 | 0 | 111.7 | ||
| 8 | D | 65.3 | Low | 58.3 | Low | 90 Ų | 90 | 81.6 Ų | 81.6 | 48% | 0.481 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | -0.7 | -175.4 | -55.6 | -37.5 | 0 | 0 | 0 | 112.9 | L6 S10 D11 D12 | L6-D8 PolarHBondContact O-N 1.98Å; D8-S10 VanDerWaalsContact C-N 3.3Å; D8-S10 PolarHBondContact O-N 3.47Å; D8-D11 PolarHBondContact O-N 3.32Å; D8-D12 PolarHBondContact O-N 2.86Å |
| 9 | W | 67.6 | Low | 57.9 | Low | 24 Ų | 24 | 81.2 Ų | 81.2 | 9% | 0.091 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -57.5 | -40.1 | -173 | -176.8 | 94.3 | 0 | 0 | 0 | 113.1 | L6 D11 T13 L30 V33 A34 Q66 I70 | L6-W9 PolarHBondContact O-N 3.46Å; W9-D11 VanDerWaalsContact C-N 3.34Å; W9-T13 HydrophobicContact CH2-CG2 4.26Å; W9-T13 HydrophobicContact CZ3-CG2 4.43Å; W9-T13 WeakPolarHBondContact O-CB 3.37Å; W9-T13 PolarHBondContact O-N 2.02Å; W9-T13 PolarHBondContact O-OG1 3.22Å; W9-L30 HydrophobicContact CH2-CD2 4.4Å; W9-L30 HydrophobicContact CZ3-CB 4.03Å; W9-L30 HydrophobicContact CZ3-CD2 3.98Å; W9-L30 WeakPolarHBondContact CZ3-O 3.36Å; W9-V33 HydrophobicContact CH2-CB 3.94Å; W9-V33 HydrophobicContact CH2-CG1 3.63Å; W9-V33 HydrophobicContact CZ2-CG1 4.18Å; W9-V33 HydrophobicContact CZ3-CB 4.41Å; W9-A34 HydrophobicContact CD2-CB 3.78Å; W9-A34 HydrophobicContact CE3-CB 3.49Å; W9-A34 VanDerWaalsContact CE3-CB 3.49Å; W9-A34 HydrophobicContact CG-CB 4.31Å; W9-A34 HydrophobicContact CH2-CB 4.49Å; W9-A34 HydrophobicContact CZ3-CB 3.9Å; W9-Q66 HydrophobicContact CZ2-CG 3.92Å; W9-Q66 VanDerWaalsContact CZ2-NE2 3.29Å; W9-I70 HydrophobicContact CH2-CD1 4.1Å; W9-I70 HydrophobicContact CH2-CG1 4.3Å; W9-I70 HydrophobicContact CZ2-CD1 4.27Å |
| 10 | S | 62.8 | Low | 57 | Low | 3 Ų | 3 | 82.4 Ų | 82.4 | 2% | 0.021 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -64.2 | -42 | 178.1 | 67.6 | 0 | 0 | 0 | 0 | 111.3 | D8 M14 R27 | D8-S10 VanDerWaalsContact C-N 3.3Å; D8-S10 PolarHBondContact O-N 3.47Å; S10-M14 WeakPolarHBondContact O-CB 3.18Å; S10-M14 VanDerWaalsContact O-CG 3.27Å; S10-M14 WeakPolarHBondContact O-CG 3.5Å; S10-M14 PolarHBondContact O-N 3.36Å; S10-R27 PolarHBondContact OG-NH2 3.33Å |
| 11 | D | 63.9 | Low | 56.2 | Low | 69 Ų | 69 | 85 Ų | 85 | 37% | 0.369 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -73.1 | -42.2 | -177.6 | -70.3 | -28.3 | 0 | 0 | 0 | 110.6 | D8 W9 M14 K15 R27 | D8-D11 PolarHBondContact O-N 3.32Å; W9-D11 VanDerWaalsContact C-N 3.34Å; D11-M14 PolarHBondContact O-N 3.46Å; D11-K15 WeakPolarHBondContact O-CB 3.24Å; D11-K15 PolarHBondContact O-N 3.23Å; D11-R27 VanDerWaalsContact CG-NH2 3.26Å; D11-R27 IonicContact OD1-CZ 3.16Å; D11-R27 IonicContact OD1-NH1 2.78Å; D11-R27 PolarHBondContact OD1-NH1 2.69Å; D11-R27 IonicContact OD1-NH2 3.16Å; D11-R27 PolarHBondContact OD1-NH2 2.62Å; D11-R27 VanDerWaalsContact OD1-NH2 3.16Å; D11-R27 IonicContact OD2-CZ 3.52Å; D11-R27 IonicContact OD2-NH1 3.5Å; D11-R27 PolarHBondContact OD2-NH1 3.48Å; D11-R27 IonicContact OD2-NH2 2.74Å; D11-R27 PolarHBondContact OD2-NH2 2.9Å |
| 12 | D | 65.6 | Low | 55.8 | Low | 91 Ų | 91 | 81.8 Ų | 81.8 | 49% | 0.487 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.8 | -45.3 | 173.7 | -72.8 | -21.7 | 0 | 0 | 0 | 111.4 | D8 M14 K15 E16 | D8-D12 PolarHBondContact O-N 2.86Å; D12-M14 PolarHBondContact O-N 3.18Å; D12-K15 WeakPolarHBondContact O-CB 2.96Å; D12-K15 PolarHBondContact O-N 2.82Å; D12-E16 VanDerWaalsContact O-CG 3.31Å; D12-E16 WeakPolarHBondContact O-CG 3.46Å; D12-E16 PolarHBondContact O-N 3.46Å |
| 13 | T | 64.2 | Low | 56.1 | Low | 15 Ų | 15 | 81.3 Ų | 81.3 | 9% | 0.092 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 178.3 | -61.7 | 0 | 0 | 0 | 0 | 111.4 | W9 K15 E16 L17 L30 I70 | W9-T13 HydrophobicContact CH2-CG2 4.26Å; W9-T13 HydrophobicContact CZ3-CG2 4.43Å; W9-T13 WeakPolarHBondContact O-CB 3.37Å; W9-T13 PolarHBondContact O-N 2.02Å; W9-T13 PolarHBondContact O-OG1 3.22Å; T13-K15 VanDerWaalsContact C-N 3.31Å; T13-K15 PolarHBondContact O-N 3.02Å; T13-E16 PolarHBondContact O-N 3.01Å; T13-L17 HydrophobicContact CG2-CD1 3.61Å; T13-L17 HydrophobicContact CG2-CG 4.11Å; T13-L17 WeakPolarHBondContact O-CB 3.37Å; T13-L17 WeakPolarHBondContact O-CG 3.44Å; T13-L17 PolarHBondContact O-N 2.87Å; T13-L30 HydrophobicContact CG2-CD2 4.01Å; T13-I70 HydrophobicContact CG2-CD1 3.86Å |
| 14 | M | 62.7 | Low | 56.8 | Low | 90 Ų | 90 | 85.7 Ų | 85.7 | 44% | 0.443 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64 | -37 | 175.8 | -78.2 | -62.7 | -66.4 | 0 | 0 | 112.6 | S10 D11 D12 L30 | S10-M14 WeakPolarHBondContact O-CB 3.18Å; S10-M14 VanDerWaalsContact O-CG 3.27Å; S10-M14 WeakPolarHBondContact O-CG 3.5Å; S10-M14 PolarHBondContact O-N 3.36Å; D11-M14 PolarHBondContact O-N 3.46Å; D12-M14 PolarHBondContact O-N 3.18Å; M14-L30 HydrophobicContact CG-CD1 3.5Å; M14-L30 VanDerWaalsContact CG-CD1 3.5Å; M14-L30 HydrophobicContact SD-CD1 3.6Å |
| 15 | K | 64.7 | Low | 57.3 | Low | 146 Ų | 146 | 82.4 Ų | 82.4 | 64% | 0.635 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -66.6 | -41.1 | 176.9 | -174.7 | -179.4 | 175.7 | -171.7 | 0 | 111.9 | D11 D12 T13 H18 | D11-K15 WeakPolarHBondContact O-CB 3.24Å; D11-K15 PolarHBondContact O-N 3.23Å; D12-K15 WeakPolarHBondContact O-CB 2.96Å; D12-K15 PolarHBondContact O-N 2.82Å; T13-K15 VanDerWaalsContact C-N 3.31Å; T13-K15 PolarHBondContact O-N 3.02Å; K15-H18 PolarHBondContact O-CE1 3.5Å |
| 16 | E | 63.5 | Low | 58.1 | Low | 141 Ų | 141 | 80.4 Ų | 80.4 | 66% | 0.659 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -76.8 | -30.9 | -179.9 | -69.4 | -65.5 | 141.6 | 0 | 0 | 113.5 | D12 T13 H18 | D12-E16 VanDerWaalsContact O-CG 3.31Å; D12-E16 WeakPolarHBondContact O-CG 3.46Å; D12-E16 PolarHBondContact O-N 3.46Å; T13-E16 PolarHBondContact O-N 3.01Å; E16-H18 PolarHBondContact O-CD2 3.13Å; E16-H18 PolarHBondContact O-N 3.26Å |
| 17 | L | 59.6 | Low | 58.8 | Low | 52 Ų | 52 | 84 Ų | 84 | 27% | 0.272 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -69.6 | -16 | -175.2 | -81.9 | 170.4 | 0 | 0 | 0 | 114.2 | T13 L19 I25 I70 | T13-L17 HydrophobicContact CG2-CD1 3.61Å; T13-L17 HydrophobicContact CG2-CG 4.11Å; T13-L17 WeakPolarHBondContact O-CB 3.37Å; T13-L17 WeakPolarHBondContact O-CG 3.44Å; T13-L17 PolarHBondContact O-N 2.87Å; L17-L19 HydrophobicContact CB-CD1 4.41Å; L17-L19 HydrophobicContact CB-CD2 4.25Å; L17-L19 HydrophobicContact CB-CG 3.96Å; L17-L19 PolarHBondContact O-N 3.2Å; L17-I25 HydrophobicContact CD1-CD1 4.32Å; L17-I70 HydrophobicContact CD1-CG2 3.96Å; L17-I70 HydrophobicContact CD2-CG2 4.17Å |
| 18 | H | 54.8 | Low | 59.4 | Low | 155 Ų | 155 | 85.7 Ų | 85.7 | 72% | 0.718 | 44% | 0.44 | S | S | * | . | trans | 38.8 | 44.9 | 174.7 | -67.2 | -62.7 | 0 | 0 | 0 | 114.4 | K15 E16 A20 | K15-H18 PolarHBondContact O-CE1 3.5Å; E16-H18 PolarHBondContact O-CD2 3.13Å; E16-H18 PolarHBondContact O-N 3.26Å; H18-A20 PolarHBondContact O-N 3.46Å; H18-A20 VanDerWaalsContact O-N 3.14Å | ||
| 19 | L | 51.5 | Low | 59.7 | Low | 74 Ų | 74 | 84.1 Ų | 84.1 | 39% | 0.387 | 43% | 0.429 | S | S | . | . | trans | -71 | 112.9 | -171.9 | -60.3 | 174.7 | 0 | 0 | 0 | 110.5 | L17 I25 I74 | L17-L19 HydrophobicContact CB-CD1 4.41Å; L17-L19 HydrophobicContact CB-CD2 4.25Å; L17-L19 HydrophobicContact CB-CG 3.96Å; L17-L19 PolarHBondContact O-N 3.2Å; L19-I25 HydrophobicContact CD1-CD1 4.27Å; L19-I74 HydrophobicContact CD2-CD1 4.46Å | ||
| 20 | A | 39.1 | Very low | 59.7 | Low | 105 Ų | 105 | 83 Ų | 83 | 87% | 0.868 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -77.9 | -16.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | H18 | H18-A20 PolarHBondContact O-N 3.46Å; H18-A20 VanDerWaalsContact O-N 3.14Å |
| 21 | I | 41 | Very low | 60.2 | Low | 136 Ų | 136 | 86.4 Ų | 86.4 | 70% | 0.697 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -124.8 | 135.7 | 179.6 | -58.4 | 176.5 | 0 | 0 | 0 | 107 | A23 | I21-A23 PolarHBondContact O-N 3.43Š|
| 22 | P | 41.2 | Very low | 60.8 | Low | 108 Ų | 108 | 87.6 Ų | 87.6 | 70% | 0.701 | 45% | 0.446 | S | S | * | . | trans | -75.8 | 70.2 | -171.2 | 32.3 | -36.2 | 0 | 0 | 0 | 111.6 | K24 | P22-K24 PolarHBondContact O-N 3.4Š| ||
| 23 | A | 51.5 | Low | 61.3 | Low | 15 Ų | 15 | 83.6 Ų | 83.6 | 12% | 0.124 | 43% | 0.425 | C | S | . | . | trans | -69.4 | 91 | 148.9 | 0 | 0 | 0 | 0 | 0 | 105.7 | I21 I25 I74 I78 | I21-A23 PolarHBondContact O-N 3.43Å; A23-I25 PolarHBondContact O-N 3.14Å; A23-I74 HydrophobicContact CB-CG2 3.9Å; A23-I78 HydrophobicContact CB-CD1 4.17Å; A23-I78 HydrophobicContact CB-CG1 3.86Å | ||
| 24 | K | 57.9 | Low | 61.6 | Low | 141 Ų | 141 | 83 Ų | 83 | 61% | 0.613 | 42% | 0.421 | S | S | * | . | trans | -75 | 77.4 | -175.4 | -154.4 | -179.9 | -172.5 | -177 | 0 | 108.6 | P22 T26 Y81 | P22-K24 PolarHBondContact O-N 3.4Å; K24-T26 PolarHBondContact O-N 3.06Å; K24-Y81 HydrophobicContact CB-CE2 3.96Å; K24-Y81 WeakPolarHBondContact CB-OH 3.11Å | ||
| 25 | I | 62.8 | Low | 62.3 | Low | 10 Ų | 10 | 82 Ų | 82 | 5% | 0.051 | 42% | 0.42 | C | S | . | . | trans | -59.6 | 121.7 | 168.3 | -48.9 | 174.7 | 0 | 0 | 0 | 106.6 | L17 L19 A23 K29 L30 I70 A73 I74 | L17-I25 HydrophobicContact CD1-CD1 4.32Å; L19-I25 HydrophobicContact CD1-CD1 4.27Å; A23-I25 PolarHBondContact O-N 3.14Å; I25-K29 HydrophobicContact CG2-CB 4.04Å; I25-L30 HydrophobicContact CG2-CD1 4.34Å; I25-L30 HydrophobicContact CG2-CD2 4.2Å; I25-L30 HydrophobicContact CG2-CG 3.8Å; I25-I70 HydrophobicContact CD1-CG2 4.49Å; I25-A73 HydrophobicContact CG2-CB 4.17Å; I25-I74 HydrophobicContact CD1-CB 4.45Å; I25-I74 HydrophobicContact CD1-CD1 4.04Å; I25-I74 HydrophobicContact CD1-CG1 3.25Å; I25-I74 HydrophobicContact CG1-CG1 3.73Å | ||
| 26 | T | 68.9 | Low | 63.1 | Low | 65 Ų | 65 | 76.2 Ų | 76.2 | 40% | 0.399 | 40% | 0.4 | S | S | . | . | trans | -71 | 147.6 | 177 | 64 | 0 | 0 | 0 | 0 | 109.7 | K24 E28 K29 L30 | K24-T26 PolarHBondContact O-N 3.06Å; T26-E28 PolarHBondContact O-N 3.27Å; T26-K29 PolarHBondContact O-N 3.35Å; T26-K29 PolarHBondContact OG1-N 3.16Å; T26-L30 PolarHBondContact O-N 3.33Å | ||
| 27 | R | 65.8 | Low | 63.4 | Low | 136 Ų | 136 | 69.7 Ų | 69.7 | 51% | 0.513 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -54.8 | -37.2 | 175 | -166.8 | 170.8 | -177.7 | 131.8 | 2.8 | 111.6 | S10 D11 K29 L30 D31 | S10-R27 PolarHBondContact OG-NH2 3.33Å; D11-R27 VanDerWaalsContact CG-NH2 3.26Å; D11-R27 IonicContact OD1-CZ 3.16Å; D11-R27 IonicContact OD1-NH1 2.78Å; D11-R27 PolarHBondContact OD1-NH1 2.69Å; D11-R27 IonicContact OD1-NH2 3.16Å; D11-R27 PolarHBondContact OD1-NH2 2.62Å; D11-R27 VanDerWaalsContact OD1-NH2 3.16Å; D11-R27 IonicContact OD2-CZ 3.52Å; D11-R27 IonicContact OD2-NH1 3.5Å; D11-R27 PolarHBondContact OD2-NH1 3.48Å; D11-R27 IonicContact OD2-NH2 2.74Å; D11-R27 PolarHBondContact OD2-NH2 2.9Å; R27-K29 VanDerWaalsContact C-N 3.34Å; R27-K29 PolarHBondContact O-N 3.49Å; R27-L30 WeakPolarHBondContact O-CB 2.79Å; R27-L30 PolarHBondContact O-N 3.16Å; R27-D31 PolarHBondContact O-N 2.98Å |
| 28 | E | 72.2 | Confident | 63.9 | Low | 134 Ų | 134 | 68.2 Ų | 68.2 | 63% | 0.626 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -57.9 | -41.3 | 174.2 | -174.3 | -179.3 | -175 | 0 | 0 | 113.1 | T26 D31 Q32 | T26-E28 PolarHBondContact O-N 3.27Å; E28-D31 PolarHBondContact O-N 2.93Å; E28-Q32 WeakPolarHBondContact O-CG 3.45Å; E28-Q32 PolarHBondContact O-N 3.44Å |
| 29 | K | 71.8 | Confident | 65 | Low | 56 Ų | 56 | 66.3 Ų | 66.3 | 24% | 0.243 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -69.8 | -36.9 | 178.5 | -159.6 | 76.6 | -161.6 | -171.4 | 0 | 111.4 | I25 T26 R27 Q32 V33 A73 E76 | I25-K29 HydrophobicContact CG2-CB 4.04Å; T26-K29 PolarHBondContact O-N 3.35Å; T26-K29 PolarHBondContact OG1-N 3.16Å; R27-K29 VanDerWaalsContact C-N 3.34Å; R27-K29 PolarHBondContact O-N 3.49Å; K29-Q32 WeakPolarHBondContact O-CB 3.24Å; K29-Q32 PolarHBondContact O-N 3.49Å; K29-V33 WeakPolarHBondContact O-CG2 3.25Å; K29-V33 PolarHBondContact O-N 3.47Å; K29-V33 VanDerWaalsContact O-N 3.12Å; K29-A73 HydrophobicContact CG-CB 3.55Å; K29-E76 WeakPolarHBondContact CE-OE2 2.98Å; K29-E76 IonicContact NZ-OE1 3.96Å; K29-E76 IonicContact NZ-OE2 2.62Å; K29-E76 PolarHBondContact NZ-OE2 2.82Å |
| 30 | L | 68.7 | Low | 66.3 | Low | 2 Ų | 2 | 65.4 Ų | 65.4 | 1% | 0.01 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 172.5 | -72.6 | 166 | 0 | 0 | 0 | 111.5 | W9 T13 M14 I25 T26 R27 Q32 V33 A34 | W9-L30 HydrophobicContact CH2-CD2 4.4Å; W9-L30 HydrophobicContact CZ3-CB 4.03Å; W9-L30 HydrophobicContact CZ3-CD2 3.98Å; W9-L30 WeakPolarHBondContact CZ3-O 3.36Å; T13-L30 HydrophobicContact CG2-CD2 4.01Å; M14-L30 HydrophobicContact CG-CD1 3.5Å; M14-L30 VanDerWaalsContact CG-CD1 3.5Å; M14-L30 HydrophobicContact SD-CD1 3.6Å; I25-L30 HydrophobicContact CG2-CD1 4.34Å; I25-L30 HydrophobicContact CG2-CD2 4.2Å; I25-L30 HydrophobicContact CG2-CG 3.8Å; T26-L30 PolarHBondContact O-N 3.33Å; R27-L30 WeakPolarHBondContact O-CB 2.79Å; R27-L30 PolarHBondContact O-N 3.16Å; L30-Q32 VanDerWaalsContact C-N 3.29Å; L30-Q32 PolarHBondContact O-N 2.95Å; L30-V33 PolarHBondContact O-N 3.33Å; L30-V33 VanDerWaalsContact O-N 3.14Å; L30-A34 WeakPolarHBondContact O-CB 2.94Å; L30-A34 PolarHBondContact O-N 3.08Å |
| 31 | D | 72.1 | Confident | 67.9 | Low | 73 Ų | 73 | 61.9 Ų | 61.9 | 39% | 0.39 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.9 | -35.2 | 176.6 | -70.3 | -15.1 | 0 | 0 | 0 | 112.2 | R27 E28 A34 T35 | R27-D31 PolarHBondContact O-N 2.98Å; E28-D31 PolarHBondContact O-N 2.93Å; D31-A34 PolarHBondContact O-N 2.91Å; D31-T35 WeakPolarHBondContact O-CB 3.45Å; D31-T35 PolarHBondContact O-N 3.19Å; D31-T35 PolarHBondContact O-OG1 3.26Å |
| 32 | Q | 78.1 | Confident | 69.5 | Low | 94 Ų | 94 | 58.9 Ų | 58.9 | 44% | 0.439 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 172.3 | -71.1 | 172.3 | 7.9 | 0 | 0 | 111.8 | E28 K29 L30 T35 A36 | E28-Q32 WeakPolarHBondContact O-CG 3.45Å; E28-Q32 PolarHBondContact O-N 3.44Å; K29-Q32 WeakPolarHBondContact O-CB 3.24Å; K29-Q32 PolarHBondContact O-N 3.49Å; L30-Q32 VanDerWaalsContact C-N 3.29Å; L30-Q32 PolarHBondContact O-N 2.95Å; Q32-T35 PolarHBondContact O-N 3.2Å; Q32-A36 PolarHBondContact O-N 3.45Å; Q32-A36 VanDerWaalsContact O-N 3.11Å |
| 33 | V | 75.5 | Confident | 71.3 | Confident | 7 Ų | 7 | 60.2 Ų | 60.2 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.6 | -45.7 | 176.2 | 176.2 | 0 | 0 | 0 | 0 | 110.8 | W9 K29 L30 T35 A36 V37 L69 I70 | W9-V33 HydrophobicContact CH2-CB 3.94Å; W9-V33 HydrophobicContact CH2-CG1 3.63Å; W9-V33 HydrophobicContact CZ2-CG1 4.18Å; W9-V33 HydrophobicContact CZ3-CB 4.41Å; K29-V33 WeakPolarHBondContact O-CG2 3.25Å; K29-V33 PolarHBondContact O-N 3.47Å; K29-V33 VanDerWaalsContact O-N 3.12Å; L30-V33 PolarHBondContact O-N 3.33Å; L30-V33 VanDerWaalsContact O-N 3.14Å; V33-T35 PolarHBondContact O-N 3.43Å; V33-A36 PolarHBondContact O-N 2.93Å; V33-V37 HydrophobicContact CG1-CG2 4.4Å; V33-V37 WeakPolarHBondContact O-CG2 3.39Å; V33-V37 PolarHBondContact O-N 2.74Å; V33-L69 HydrophobicContact CB-CB 4.32Å; V33-L69 HydrophobicContact CG1-CB 3.61Å; V33-L69 HydrophobicContact CG1-CD1 4.15Å; V33-L69 HydrophobicContact CG2-CB 3.87Å; V33-I70 HydrophobicContact CG1-CG1 4.03Å |
| 34 | A | 71.1 | Confident | 72.4 | Confident | 2 Ų | 2 | 60.3 Ų | 60.3 | 2% | 0.017 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -55.9 | -52.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | L6 W9 L30 D31 A36 V37 Y38 | L6-A34 HydrophobicContact CD2-CB 3.6Å; W9-A34 HydrophobicContact CD2-CB 3.78Å; W9-A34 HydrophobicContact CE3-CB 3.49Å; W9-A34 VanDerWaalsContact CE3-CB 3.49Å; W9-A34 HydrophobicContact CG-CB 4.31Å; W9-A34 HydrophobicContact CH2-CB 4.49Å; W9-A34 HydrophobicContact CZ3-CB 3.9Å; L30-A34 WeakPolarHBondContact O-CB 2.94Å; L30-A34 PolarHBondContact O-N 3.08Å; D31-A34 PolarHBondContact O-N 2.91Å; A34-A36 VanDerWaalsContact C-N 3.28Å; A34-A36 PolarHBondContact O-N 3.23Å; A34-V37 PolarHBondContact O-N 3.33Å; A34-V37 VanDerWaalsContact O-N 3.07Å; A34-Y38 HydrophobicContact CB-CE2 4.46Å; A34-Y38 WeakPolarHBondContact O-CD2 3.43Å; A34-Y38 PolarHBondContact O-N 3.12Å |
| 35 | T | 77.4 | Confident | 73 | Confident | 69 Ų | 69 | 58.8 Ų | 58.8 | 42% | 0.423 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -53.2 | -44.6 | 179.2 | -59.9 | 0 | 0 | 0 | 0 | 112.2 | D31 Q32 V33 Y38 Q39 | D31-T35 WeakPolarHBondContact O-CB 3.45Å; D31-T35 PolarHBondContact O-N 3.19Å; D31-T35 PolarHBondContact O-OG1 3.26Å; Q32-T35 PolarHBondContact O-N 3.2Å; V33-T35 PolarHBondContact O-N 3.43Å; T35-Y38 PolarHBondContact O-N 3.48Å; T35-Q39 WeakPolarHBondContact O-CG 3.34Å; T35-Q39 PolarHBondContact O-N 2.78Å |
| 36 | A | 79.8 | Confident | 73.5 | Confident | 26 Ų | 26 | 65 Ų | 65 | 22% | 0.215 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.5 | -45.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q32 V33 A34 Y38 Q39 M40 L69 | Q32-A36 PolarHBondContact O-N 3.45Å; Q32-A36 VanDerWaalsContact O-N 3.11Å; V33-A36 PolarHBondContact O-N 2.93Å; A34-A36 VanDerWaalsContact C-N 3.28Å; A34-A36 PolarHBondContact O-N 3.23Å; A36-Y38 PolarHBondContact O-N 3.5Å; A36-Q39 PolarHBondContact O-N 2.62Å; A36-M40 WeakPolarHBondContact O-CG 3.43Å; A36-M40 PolarHBondContact O-N 3.11Å; A36-L69 HydrophobicContact CB-CD1 4.01Å |
| 37 | V | 71.8 | Confident | 73.2 | Confident | 4 Ų | 4 | 66.2 Ų | 66.2 | 2% | 0.024 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 177.9 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | V33 A34 M40 M41 I62 Q66 | V33-V37 HydrophobicContact CG1-CG2 4.4Å; V33-V37 WeakPolarHBondContact O-CG2 3.39Å; V33-V37 PolarHBondContact O-N 2.74Å; A34-V37 PolarHBondContact O-N 3.33Å; A34-V37 VanDerWaalsContact O-N 3.07Å; V37-M40 WeakPolarHBondContact O-CB 3.39Å; V37-M40 PolarHBondContact O-N 3.16Å; V37-M41 HydrophobicContact CG1-SD 4.3Å; V37-M41 WeakPolarHBondContact O-CG 3.48Å; V37-M41 PolarHBondContact O-N 3.32Å; V37-I62 HydrophobicContact CG1-CG2 3.83Å; V37-Q66 HydrophobicContact CG2-CB 3.68Å; V37-Q66 HydrophobicContact CG2-CG 3.92Å |
| 38 | Y | 69.4 | Low | 73 | Confident | 20 Ų | 20 | 65 Ų | 65 | 8% | 0.078 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -70.4 | -32.8 | 179 | -74.9 | -74 | 0 | 0 | 0 | 113.2 | S2 L5 L6 A34 T35 A36 M40 M41 D42 | S2-Y38 WeakPolarHBondContact O-CE1 3.31Å; L5-Y38 HydrophobicContact CB-CE1 3.96Å; L5-Y38 WeakPolarHBondContact CB-OH 3.46Å; L5-Y38 PolarHBondContact O-OH 3.39Å; L6-Y38 HydrophobicContact CB-CE2 4.26Å; L6-Y38 HydrophobicContact CD1-CD2 3.81Å; L6-Y38 HydrophobicContact CD1-CE2 4.28Å; L6-Y38 HydrophobicContact CD1-CG 4.05Å; L6-Y38 HydrophobicContact CD2-CD2 3.15Å; L6-Y38 HydrophobicContact CD2-CE2 3.17Å; L6-Y38 HydrophobicContact CD2-CG 4.18Å; L6-Y38 HydrophobicContact CG-CD1 4.42Å; L6-Y38 HydrophobicContact CG-CD2 3.26Å; L6-Y38 HydrophobicContact CG-CE1 4.38Å; L6-Y38 HydrophobicContact CG-CE2 3.25Å; L6-Y38 HydrophobicContact CG-CG 3.89Å; A34-Y38 HydrophobicContact CB-CE2 4.46Å; A34-Y38 WeakPolarHBondContact O-CD2 3.43Å; A34-Y38 PolarHBondContact O-N 3.12Å; T35-Y38 PolarHBondContact O-N 3.48Å; A36-Y38 PolarHBondContact O-N 3.5Å; Y38-M40 VanDerWaalsContact C-N 3.32Å; Y38-M41 HydrophobicContact CD1-SD 3.98Å; Y38-M41 HydrophobicContact CE1-SD 4.09Å; Y38-M41 PolarHBondContact O-N 3.21Å; Y38-D42 WeakPolarHBondContact O-CB 3.46Å; Y38-D42 PolarHBondContact O-N 3.25Å |
| 39 | Q | 77.6 | Confident | 72.3 | Confident | 116 Ų | 116 | 66.1 Ų | 66.1 | 54% | 0.542 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 170.1 | -75.2 | 174.8 | -3.7 | 0 | 0 | 111.6 | T35 A36 M41 D42 Q43 | T35-Q39 WeakPolarHBondContact O-CG 3.34Å; T35-Q39 PolarHBondContact O-N 2.78Å; A36-Q39 PolarHBondContact O-N 2.62Å; Q39-M41 VanDerWaalsContact C-N 3.34Å; Q39-D42 PolarHBondContact O-N 3.2Å; Q39-Q43 WeakPolarHBondContact O-CB 3.42Å; Q39-Q43 VanDerWaalsContact O-CG 3.26Å; Q39-Q43 WeakPolarHBondContact O-CG 3.38Å; Q39-Q43 PolarHBondContact O-N 3.21Å |
| 40 | M | 79.3 | Confident | 71.5 | Confident | 55 Ų | 55 | 71.1 Ų | 71.1 | 27% | 0.271 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.7 | -41.2 | 174.8 | -63.6 | 170 | -168.8 | 0 | 0 | 111.4 | A36 V37 Y38 L44 I62 E65 L69 | A36-M40 WeakPolarHBondContact O-CG 3.43Å; A36-M40 PolarHBondContact O-N 3.11Å; V37-M40 WeakPolarHBondContact O-CB 3.39Å; V37-M40 PolarHBondContact O-N 3.16Å; Y38-M40 VanDerWaalsContact C-N 3.32Å; M40-L44 WeakPolarHBondContact O-CB 3.07Å; M40-L44 PolarHBondContact O-N 3.14Å; M40-I62 HydrophobicContact CB-CD1 4.09Å; M40-I62 HydrophobicContact CB-CG1 3.98Å; M40-I62 HydrophobicContact CB-CG2 4.49Å; M40-E65 HydrophobicContact CE-CG 3.64Å; M40-E65 HydrophobicContact SD-CB 4.25Å; M40-E65 HydrophobicContact SD-CG 3.96Å; M40-L69 HydrophobicContact CE-CD1 4.49Å |
| 41 | M | 71.5 | Confident | 71 | Confident | 31 Ų | 31 | 77.2 Ų | 77.2 | 15% | 0.153 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.6 | -49.1 | 174.8 | -70.5 | 180 | 68.5 | 0 | 0 | 111.6 | V37 Y38 Q39 Q43 L44 Y45 I62 | V37-M41 HydrophobicContact CG1-SD 4.3Å; V37-M41 WeakPolarHBondContact O-CG 3.48Å; V37-M41 PolarHBondContact O-N 3.32Å; Y38-M41 HydrophobicContact CD1-SD 3.98Å; Y38-M41 HydrophobicContact CE1-SD 4.09Å; Y38-M41 PolarHBondContact O-N 3.21Å; Q39-M41 VanDerWaalsContact C-N 3.34Å; M41-Q43 VanDerWaalsContact C-N 3.3Å; M41-Q43 PolarHBondContact O-N 3.28Å; M41-L44 WeakPolarHBondContact O-CA 3.35Å; M41-L44 WeakPolarHBondContact O-CB 3.39Å; M41-L44 PolarHBondContact O-N 3.43Å; M41-Y45 HydrophobicContact CB-CD2 4.35Å; M41-Y45 HydrophobicContact CB-CE2 4.18Å; M41-Y45 HydrophobicContact CE-CE2 4.05Å; M41-Y45 WeakPolarHBondContact O-CD2 3.06Å; M41-Y45 PolarHBondContact O-N 2.96Å; M41-I62 HydrophobicContact CG-CD1 4.08Å; M41-I62 HydrophobicContact CG-CG2 4.2Å |
| 42 | D | 75.9 | Confident | 70.1 | Confident | 73 Ų | 73 | 78.8 Ų | 78.8 | 39% | 0.39 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.6 | -39.3 | 179.5 | -77.8 | -9.7 | 0 | 0 | 0 | 111.1 | S2 Y38 Q39 Y45 Q46 | S2-D42 PolarHBondContact OG-OD1 3.28Å; Y38-D42 WeakPolarHBondContact O-CB 3.46Å; Y38-D42 PolarHBondContact O-N 3.25Å; Q39-D42 PolarHBondContact O-N 3.2Å; D42-Y45 PolarHBondContact O-N 3.38Å; D42-Q46 WeakPolarHBondContact O-CB 3.5Å; D42-Q46 VanDerWaalsContact O-CG 3.29Å; D42-Q46 WeakPolarHBondContact O-CG 3.43Å; D42-Q46 PolarHBondContact O-N 2.91Å |
| 43 | Q | 79.2 | Confident | 69.2 | Low | 136 Ų | 136 | 76.4 Ų | 76.4 | 64% | 0.636 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -61.4 | -41.8 | 170.8 | -76.2 | 176.3 | -4.8 | 0 | 0 | 112.4 | Q39 M41 Y45 Q46 | Q39-Q43 WeakPolarHBondContact O-CB 3.42Å; Q39-Q43 VanDerWaalsContact O-CG 3.26Å; Q39-Q43 WeakPolarHBondContact O-CG 3.38Å; Q39-Q43 PolarHBondContact O-N 3.21Å; M41-Q43 VanDerWaalsContact C-N 3.3Å; M41-Q43 PolarHBondContact O-N 3.28Å; Q43-Y45 VanDerWaalsContact C-N 3.31Å; Q43-Y45 PolarHBondContact O-N 2.98Å; Q43-Q46 PolarHBondContact O-N 2.75Å |
| 44 | L | 74.6 | Confident | 68.7 | Low | 16 Ų | 16 | 80.4 Ų | 80.4 | 8% | 0.084 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -62.5 | -38.4 | 176.2 | 176.5 | 61.4 | 0 | 0 | 0 | 111.8 | M40 M41 Y54 F55 E58 L59 I62 | M40-L44 WeakPolarHBondContact O-CB 3.07Å; M40-L44 PolarHBondContact O-N 3.14Å; M41-L44 WeakPolarHBondContact O-CA 3.35Å; M41-L44 WeakPolarHBondContact O-CB 3.39Å; M41-L44 PolarHBondContact O-N 3.43Å; L44-Y54 HydrophobicContact CD1-CE1 4.34Å; L44-F55 HydrophobicContact CD1-CE1 4.42Å; L44-F55 HydrophobicContact CD1-CZ 4.3Å; L44-F55 HydrophobicContact CD2-CD1 4.05Å; L44-F55 HydrophobicContact CD2-CE1 3.63Å; L44-F55 HydrophobicContact CD2-CZ 4.24Å; L44-F55 HydrophobicContact CG-CD1 4.39Å; L44-F55 HydrophobicContact CG-CE1 3.69Å; L44-F55 HydrophobicContact CG-CE2 4.5Å; L44-F55 HydrophobicContact CG-CZ 3.75Å; L44-E58 HydrophobicContact CD1-CB 3.42Å; L44-E58 VanDerWaalsContact CD1-CB 3.42Å; L44-E58 HydrophobicContact CD1-CG 3.69Å; L44-E58 HydrophobicContact CD2-CB 3.76Å; L44-E58 HydrophobicContact CG-CB 4.23Å; L44-L59 HydrophobicContact CD2-CD2 4.04Å; L44-L59 HydrophobicContact CD2-CG 4.12Å; L44-I62 HydrophobicContact CB-CD1 4.31Å; L44-I62 HydrophobicContact CD2-CD1 3.78Å |
| 45 | Y | 70.1 | Confident | 68.5 | Low | 109 Ų | 109 | 80.8 Ų | 80.8 | 43% | 0.427 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -83.3 | -17.4 | 179.4 | -69 | -68.8 | 0 | 0 | 0 | 114 | M41 D42 Q43 G47 F55 | M41-Y45 HydrophobicContact CB-CD2 4.35Å; M41-Y45 HydrophobicContact CB-CE2 4.18Å; M41-Y45 HydrophobicContact CE-CE2 4.05Å; M41-Y45 WeakPolarHBondContact O-CD2 3.06Å; M41-Y45 PolarHBondContact O-N 2.96Å; D42-Y45 PolarHBondContact O-N 3.38Å; Q43-Y45 VanDerWaalsContact C-N 3.31Å; Q43-Y45 PolarHBondContact O-N 2.98Å; Y45-G47 PolarHBondContact O-N 3.14Å; Y45-F55 AromaticContact CD1-CE1 3.59Å; Y45-F55 HydrophobicContact CD1-CE1 3.59Å; Y45-F55 HydrophobicContact CD1-CE2 4.39Å; Y45-F55 AromaticContact CD1-CZ 3.25Å; Y45-F55 HydrophobicContact CD1-CZ 3.25Å; Y45-F55 HydrophobicContact CE1-CD1 4.16Å; Y45-F55 AromaticContact CE1-CE1 3.06Å; Y45-F55 HydrophobicContact CE1-CE1 3.06Å; Y45-F55 HydrophobicContact CE1-CE2 4.48Å; Y45-F55 AromaticContact CE1-CZ 3.27Å; Y45-F55 HydrophobicContact CE1-CZ 3.27Å; Y45-F55 HydrophobicContact CE2-CE1 4.35Å; Y45-F55 HydrophobicContact CG-CE1 4.4Å; Y45-F55 HydrophobicContact CG-CZ 4.08Å; Y45-F55 AromaticContact CZ-CE1 3.48Å; Y45-F55 VanDerWaalsContact CZ-CE1 3.48Å |
| 46 | Q | 73.3 | Confident | 68 | Low | 142 Ų | 142 | 80.6 Ų | 80.6 | 66% | 0.664 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | 115.3 | -178.9 | -90.5 | -178.2 | 12.5 | 0 | 0 | 112.2 | D42 Q43 K48 | D42-Q46 WeakPolarHBondContact O-CB 3.5Å; D42-Q46 VanDerWaalsContact O-CG 3.29Å; D42-Q46 WeakPolarHBondContact O-CG 3.43Å; D42-Q46 PolarHBondContact O-N 2.91Å; Q43-Q46 PolarHBondContact O-N 2.75Å; Q46-K48 PolarHBondContact O-N 1.98Å |
| 47 | G | 63 | Low | 67.4 | Low | 90 Ų | 90 | 84.1 Ų | 84.1 | 93% | 0.928 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.9 | 9.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y45 | Y45-G47 PolarHBondContact O-N 3.14Š|
| 48 | K | 61.6 | Low | 67.6 | Low | 109 Ų | 109 | 86.8 Ų | 86.8 | 47% | 0.474 | 45% | 0.448 | S | S | . | . | trans | -111 | 122 | -175.9 | -61 | -104.5 | -177 | 162.6 | 0 | 110.5 | Q46 Y54 | Q46-K48 PolarHBondContact O-N 1.98Å; K48-Y54 HydrophobicContact CD-CE1 4.33Å; K48-Y54 PolarHBondContact NZ-OH 3.5Å | ||
| 49 | M | 56.5 | Low | 67.6 | Low | 159 Ų | 159 | 88 Ų | 88 | 78% | 0.783 | 46% | 0.456 | S | S | * | . | trans | -68.1 | 148.3 | 162.3 | -99.2 | -173.4 | -79.4 | 0 | 0 | 109.4 | F51 | M49-F51 WeakPolarHBondContact O-CD2 3.45Å; M49-F51 PolarHBondContact O-N 3.04Å; M49-F51 VanDerWaalsContact O-N 3.1Å | ||
| 50 | Y | 55.4 | Low | 67.2 | Low | 161 Ų | 161 | 89.8 Ų | 89.8 | 63% | 0.631 | 46% | 0.458 | S | S | * | . | trans | -58.3 | 115 | 178.1 | 178.7 | -94.9 | 0 | 0 | 0 | 111 | P52 F55 | Y50-P52 HydrophobicContact CD1-CG 4.49Å; Y50-P52 HydrophobicContact CE1-CB 4.5Å; Y50-P52 HydrophobicContact CE1-CG 4.12Å; Y50-F55 HydrophobicContact CD2-CB 4.14Å; Y50-F55 HydrophobicContact CD2-CD2 4.16Å; Y50-F55 HydrophobicContact CD2-CG 4.12Å; Y50-F55 HydrophobicContact CE2-CB 3.96Å; Y50-F55 HydrophobicContact CE2-CG 4.37Å | ||
| 51 | F | 58.4 | Low | 66.9 | Low | 129 Ų | 129 | 91 Ų | 91 | 57% | 0.566 | 47% | 0.465 | S | S | * | . | trans | -104.7 | 118.2 | 171.3 | -78.2 | -83.5 | 0 | 0 | 0 | 109.4 | M49 G53 Y54 F55 | M49-F51 WeakPolarHBondContact O-CD2 3.45Å; M49-F51 PolarHBondContact O-N 3.04Å; M49-F51 VanDerWaalsContact O-N 3.1Å; F51-G53 PolarHBondContact O-N 3.37Å; F51-Y54 PolarHBondContact O-N 2.8Å; F51-F55 PolarHBondContact O-N 2.85Å | ||
| 52 | P | 52.7 | Low | 66.9 | Low | 107 Ų | 107 | 90.3 Ų | 90.3 | 70% | 0.695 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 131.8 | 178.2 | -23.7 | 32.2 | 0 | 0 | 0 | 111.7 | Y50 Y54 | Y50-P52 HydrophobicContact CD1-CG 4.49Å; Y50-P52 HydrophobicContact CE1-CB 4.5Å; Y50-P52 HydrophobicContact CE1-CG 4.12Å; P52-Y54 VanDerWaalsContact C-N 3.28Å; P52-Y54 PolarHBondContact O-N 3.35Å |
| 53 | G | 58.7 | Low | 66.6 | Low | 44 Ų | 44 | 93 Ų | 93 | 45% | 0.454 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | -28.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | F51 | F51-G53 PolarHBondContact O-N 3.37Š|
| 54 | Y | 64.8 | Low | 66 | Low | 90 Ų | 90 | 93.5 Ų | 93.5 | 35% | 0.353 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -73.4 | -51.4 | 173.6 | 179.7 | -108.9 | 0 | 0 | 0 | 111.2 | L44 K48 F51 P52 N57 E58 | L44-Y54 HydrophobicContact CD1-CE1 4.34Å; K48-Y54 HydrophobicContact CD-CE1 4.33Å; K48-Y54 PolarHBondContact NZ-OH 3.5Å; F51-Y54 PolarHBondContact O-N 2.8Å; P52-Y54 VanDerWaalsContact C-N 3.28Å; P52-Y54 PolarHBondContact O-N 3.35Å; Y54-N57 PolarHBondContact O-N 2.93Å; Y54-E58 HydrophobicContact CD1-CG 4.49Å; Y54-E58 HydrophobicContact CD2-CG 4.35Å; Y54-E58 HydrophobicContact CE1-CG 4.13Å; Y54-E58 HydrophobicContact CE2-CG 3.95Å; Y54-E58 VanDerWaalsContact CE2-OE1 3.28Å; Y54-E58 WeakPolarHBondContact CE2-OE1 3.33Å; Y54-E58 PolarHBondContact O-N 3.48Å; Y54-E58 VanDerWaalsContact O-N 3.14Å; Y54-E58 PolarHBondContact OH-OE1 2.89Å |
| 55 | F | 67.1 | Low | 65.9 | Low | 11 Ų | 11 | 96.6 Ų | 96.6 | 5% | 0.048 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -58.2 | -45.8 | -178.7 | -120.7 | -80.9 | 0 | 0 | 0 | 114.1 | L44 Y45 Y50 F51 N57 E58 L59 | L44-F55 HydrophobicContact CD1-CE1 4.42Å; L44-F55 HydrophobicContact CD1-CZ 4.3Å; L44-F55 HydrophobicContact CD2-CD1 4.05Å; L44-F55 HydrophobicContact CD2-CE1 3.63Å; L44-F55 HydrophobicContact CD2-CZ 4.24Å; L44-F55 HydrophobicContact CG-CD1 4.39Å; L44-F55 HydrophobicContact CG-CE1 3.69Å; L44-F55 HydrophobicContact CG-CE2 4.5Å; L44-F55 HydrophobicContact CG-CZ 3.75Å; Y45-F55 AromaticContact CD1-CE1 3.59Å; Y45-F55 HydrophobicContact CD1-CE1 3.59Å; Y45-F55 HydrophobicContact CD1-CE2 4.39Å; Y45-F55 AromaticContact CD1-CZ 3.25Å; Y45-F55 HydrophobicContact CD1-CZ 3.25Å; Y45-F55 HydrophobicContact CE1-CD1 4.16Å; Y45-F55 AromaticContact CE1-CE1 3.06Å; Y45-F55 HydrophobicContact CE1-CE1 3.06Å; Y45-F55 HydrophobicContact CE1-CE2 4.48Å; Y45-F55 AromaticContact CE1-CZ 3.27Å; Y45-F55 HydrophobicContact CE1-CZ 3.27Å; Y45-F55 HydrophobicContact CE2-CE1 4.35Å; Y45-F55 HydrophobicContact CG-CE1 4.4Å; Y45-F55 HydrophobicContact CG-CZ 4.08Å; Y45-F55 AromaticContact CZ-CE1 3.48Å; Y45-F55 VanDerWaalsContact CZ-CE1 3.48Å; Y50-F55 HydrophobicContact CD2-CB 4.14Å; Y50-F55 HydrophobicContact CD2-CD2 4.16Å; Y50-F55 HydrophobicContact CD2-CG 4.12Å; Y50-F55 HydrophobicContact CE2-CB 3.96Å; Y50-F55 HydrophobicContact CE2-CG 4.37Å; F51-F55 PolarHBondContact O-N 2.85Å; F55-N57 VanDerWaalsContact C-N 3.35Å; F55-N57 PolarHBondContact O-N 3.14Å; F55-E58 PolarHBondContact O-N 3.11Å; F55-L59 HydrophobicContact CD1-CD1 4.2Å; F55-L59 HydrophobicContact CD1-CG 4.36Å; F55-L59 WeakPolarHBondContact O-CB 3.4Å; F55-L59 VanDerWaalsContact O-CG 3.3Å; F55-L59 WeakPolarHBondContact O-CG 3.49Å; F55-L59 PolarHBondContact O-N 3.31Å |
| 56 | P | 66.8 | Low | 65.9 | Low | 64 Ų | 64 | 92.9 Ų | 92.9 | 42% | 0.416 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63 | -34.6 | 177.3 | -25.6 | 35.9 | 0 | 0 | 0 | 114.5 | R60 | P56-R60 WeakPolarHBondContact O-CB 2.98Å; P56-R60 PolarHBondContact O-N 3.25Å |
| 57 | N | 68.9 | Low | 65.6 | Low | 100 Ų | 100 | 89.8 Ų | 89.8 | 54% | 0.535 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -72 | -43.4 | 178.4 | -82.1 | -16.2 | 0 | 0 | 0 | 111.7 | Y54 F55 R60 N61 | Y54-N57 PolarHBondContact O-N 2.93Å; F55-N57 VanDerWaalsContact C-N 3.35Å; F55-N57 PolarHBondContact O-N 3.14Å; N57-R60 WeakPolarHBondContact O-CB 3.11Å; N57-R60 PolarHBondContact O-N 3.42Å; N57-N61 PolarHBondContact O-N 3.12Å |
| 58 | E | 74.7 | Confident | 65.9 | Low | 61 Ų | 61 | 90 Ų | 90 | 29% | 0.285 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.1 | -40.6 | 176.4 | -63.7 | -66.2 | 179.1 | 0 | 0 | 111.4 | L44 Y54 F55 R60 N61 I62 | L44-E58 HydrophobicContact CD1-CB 3.42Å; L44-E58 VanDerWaalsContact CD1-CB 3.42Å; L44-E58 HydrophobicContact CD1-CG 3.69Å; L44-E58 HydrophobicContact CD2-CB 3.76Å; L44-E58 HydrophobicContact CG-CB 4.23Å; Y54-E58 HydrophobicContact CD1-CG 4.49Å; Y54-E58 HydrophobicContact CD2-CG 4.35Å; Y54-E58 HydrophobicContact CE1-CG 4.13Å; Y54-E58 HydrophobicContact CE2-CG 3.95Å; Y54-E58 VanDerWaalsContact CE2-OE1 3.28Å; Y54-E58 WeakPolarHBondContact CE2-OE1 3.33Å; Y54-E58 PolarHBondContact O-N 3.48Å; Y54-E58 VanDerWaalsContact O-N 3.14Å; Y54-E58 PolarHBondContact OH-OE1 2.89Å; F55-E58 PolarHBondContact O-N 3.11Å; E58-R60 VanDerWaalsContact C-N 3.34Å; E58-R60 PolarHBondContact O-N 3.44Å; E58-N61 WeakPolarHBondContact O-CB 3.46Å; E58-N61 PolarHBondContact O-N 3.47Å; E58-N61 VanDerWaalsContact O-N 3.14Å; E58-I62 WeakPolarHBondContact O-CG1 3.37Å; E58-I62 PolarHBondContact O-N 2.91Å |
| 59 | L | 70.2 | Confident | 66.4 | Low | 46 Ų | 46 | 86.8 Ų | 86.8 | 24% | 0.241 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -59.3 | -43 | 171.9 | -75.9 | 174 | 0 | 0 | 0 | 112.2 | L44 F55 N61 I62 F63 | L44-L59 HydrophobicContact CD2-CD2 4.04Å; L44-L59 HydrophobicContact CD2-CG 4.12Å; F55-L59 HydrophobicContact CD1-CD1 4.2Å; F55-L59 HydrophobicContact CD1-CG 4.36Å; F55-L59 WeakPolarHBondContact O-CB 3.4Å; F55-L59 VanDerWaalsContact O-CG 3.3Å; F55-L59 WeakPolarHBondContact O-CG 3.49Å; F55-L59 PolarHBondContact O-N 3.31Å; L59-N61 VanDerWaalsContact C-N 3.28Å; L59-N61 PolarHBondContact O-N 3.19Å; L59-I62 PolarHBondContact O-N 2.96Å; L59-F63 WeakPolarHBondContact O-CD2 3.17Å; L59-F63 PolarHBondContact O-N 3.5Å |
| 60 | R | 68.8 | Low | 66.9 | Low | 153 Ų | 153 | 79.9 Ų | 79.9 | 58% | 0.577 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -62.2 | -35.4 | 175.9 | -176.4 | 178.6 | -114.1 | -179.8 | -2.3 | 112.2 | P56 N57 E58 R64 | P56-R60 WeakPolarHBondContact O-CB 2.98Å; P56-R60 PolarHBondContact O-N 3.25Å; N57-R60 WeakPolarHBondContact O-CB 3.11Å; N57-R60 PolarHBondContact O-N 3.42Å; E58-R60 VanDerWaalsContact C-N 3.34Å; E58-R60 PolarHBondContact O-N 3.44Å; R60-R64 WeakPolarHBondContact O-CG 3.42Å; R60-R64 PolarHBondContact O-N 3.32Å; R60-R64 VanDerWaalsContact O-N 3.1Å |
| 61 | N | 73.2 | Confident | 67.2 | Low | 81 Ų | 81 | 76.8 Ų | 76.8 | 43% | 0.433 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -67.1 | -44.3 | 174.1 | -68.7 | -20.7 | 0 | 0 | 0 | 111.2 | N57 E58 L59 F63 R64 E65 | N57-N61 PolarHBondContact O-N 3.12Å; E58-N61 WeakPolarHBondContact O-CB 3.46Å; E58-N61 PolarHBondContact O-N 3.47Å; E58-N61 VanDerWaalsContact O-N 3.14Å; L59-N61 VanDerWaalsContact C-N 3.28Å; L59-N61 PolarHBondContact O-N 3.19Å; N61-F63 VanDerWaalsContact C-N 3.33Å; N61-F63 PolarHBondContact O-N 3.48Å; N61-R64 WeakPolarHBondContact O-CB 3.42Å; N61-R64 PolarHBondContact O-N 3.02Å; N61-R64 VanDerWaalsContact O-N 3.14Å; N61-E65 PolarHBondContact O-N 3.09Å |
| 62 | I | 71.3 | Confident | 67.6 | Low | 16 Ų | 16 | 74.2 Ų | 74.2 | 8% | 0.082 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.1 | -43.6 | 175.5 | -66.8 | 171 | 0 | 0 | 0 | 111.1 | V37 M40 M41 L44 E58 L59 R64 E65 Q66 | V37-I62 HydrophobicContact CG1-CG2 3.83Å; M40-I62 HydrophobicContact CB-CD1 4.09Å; M40-I62 HydrophobicContact CB-CG1 3.98Å; M40-I62 HydrophobicContact CB-CG2 4.49Å; M41-I62 HydrophobicContact CG-CD1 4.08Å; M41-I62 HydrophobicContact CG-CG2 4.2Å; L44-I62 HydrophobicContact CB-CD1 4.31Å; L44-I62 HydrophobicContact CD2-CD1 3.78Å; E58-I62 WeakPolarHBondContact O-CG1 3.37Å; E58-I62 PolarHBondContact O-N 2.91Å; L59-I62 PolarHBondContact O-N 2.96Å; I62-R64 PolarHBondContact O-N 2.98Å; I62-E65 PolarHBondContact O-N 2.76Å; I62-Q66 PolarHBondContact O-N 3.48Å |
| 63 | F | 69.3 | Low | 68.2 | Low | 129 Ų | 129 | 69.2 Ų | 69.2 | 57% | 0.566 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -62.3 | -39.9 | 175.2 | -81.2 | -65.9 | 0 | 0 | 0 | 112.9 | L59 N61 E65 Q66 V67 | L59-F63 WeakPolarHBondContact O-CD2 3.17Å; L59-F63 PolarHBondContact O-N 3.5Å; N61-F63 VanDerWaalsContact C-N 3.33Å; N61-F63 PolarHBondContact O-N 3.48Å; F63-E65 VanDerWaalsContact C-N 3.33Å; F63-Q66 WeakPolarHBondContact O-CB 3.25Å; F63-Q66 PolarHBondContact O-N 3.42Å; F63-V67 WeakPolarHBondContact O-CG2 3.46Å; F63-V67 PolarHBondContact O-N 3.49Å; F63-V67 VanDerWaalsContact O-N 3.12Å |
| 64 | R | 66.7 | Low | 68.4 | Low | 146 Ų | 146 | 68.8 Ų | 68.8 | 55% | 0.551 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -63.6 | -41.6 | 175.2 | -76 | 173 | 174 | 174 | -4.6 | 111.4 | R60 N61 I62 V67 H68 | R60-R64 WeakPolarHBondContact O-CG 3.42Å; R60-R64 PolarHBondContact O-N 3.32Å; R60-R64 VanDerWaalsContact O-N 3.1Å; N61-R64 WeakPolarHBondContact O-CB 3.42Å; N61-R64 PolarHBondContact O-N 3.02Å; N61-R64 VanDerWaalsContact O-N 3.14Å; I62-R64 PolarHBondContact O-N 2.98Å; R64-V67 PolarHBondContact O-N 3.41Å; R64-H68 PolarHBondContact O-CD2 2.83Å; R64-H68 VanDerWaalsContact O-CD2 3.29Å; R64-H68 PolarHBondContact O-N 3.2Å; R64-H68 VanDerWaalsContact O-N 3.08Å |
| 65 | E | 72.9 | Confident | 68.1 | Low | 82 Ų | 82 | 66 Ų | 66 | 38% | 0.383 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.7 | -40.9 | 178.7 | -164 | 58.7 | -154.2 | 0 | 0 | 111.7 | M40 N61 I62 F63 V67 H68 L69 | M40-E65 HydrophobicContact CE-CG 3.64Å; M40-E65 HydrophobicContact SD-CB 4.25Å; M40-E65 HydrophobicContact SD-CG 3.96Å; N61-E65 PolarHBondContact O-N 3.09Å; I62-E65 PolarHBondContact O-N 2.76Å; F63-E65 VanDerWaalsContact C-N 3.33Å; E65-V67 VanDerWaalsContact C-N 3.31Å; E65-V67 PolarHBondContact O-N 3.14Å; E65-H68 PolarHBondContact O-N 3Å; E65-H68 VanDerWaalsContact O-N 3.14Å; E65-L69 HydrophobicContact CG-CD1 4.41Å; E65-L69 VanDerWaalsContact O-CG 3.32Å; E65-L69 WeakPolarHBondContact O-CG 3.4Å; E65-L69 PolarHBondContact O-N 2.91Å |
| 66 | Q | 68.9 | Low | 67.8 | Low | 31 Ų | 31 | 69.6 Ų | 69.6 | 15% | 0.145 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -54.2 | -46.9 | 171.1 | 178.8 | -176.5 | -15.3 | 0 | 0 | 111.6 | W9 V37 I62 F63 H68 L69 I70 | W9-Q66 HydrophobicContact CZ2-CG 3.92Å; W9-Q66 VanDerWaalsContact CZ2-NE2 3.29Å; V37-Q66 HydrophobicContact CG2-CB 3.68Å; V37-Q66 HydrophobicContact CG2-CG 3.92Å; I62-Q66 PolarHBondContact O-N 3.48Å; F63-Q66 WeakPolarHBondContact O-CB 3.25Å; F63-Q66 PolarHBondContact O-N 3.42Å; Q66-H68 VanDerWaalsContact C-N 3.33Å; Q66-H68 PolarHBondContact O-N 3.41Å; Q66-L69 PolarHBondContact O-N 3.22Å; Q66-I70 HydrophobicContact CG-CD1 3.98Å; Q66-I70 WeakPolarHBondContact O-CG1 3.43Å; Q66-I70 PolarHBondContact O-N 2.94Å |
| 67 | V | 67.9 | Low | 67.3 | Low | 76 Ų | 76 | 66.9 Ų | 66.9 | 46% | 0.461 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.7 | -43 | 178 | 170.8 | 0 | 0 | 0 | 0 | 111 | F63 R64 E65 I70 Q71 | F63-V67 WeakPolarHBondContact O-CG2 3.46Å; F63-V67 PolarHBondContact O-N 3.49Å; F63-V67 VanDerWaalsContact O-N 3.12Å; R64-V67 PolarHBondContact O-N 3.41Å; E65-V67 VanDerWaalsContact C-N 3.31Å; E65-V67 PolarHBondContact O-N 3.14Å; V67-I70 PolarHBondContact O-N 3.02Å; V67-Q71 WeakPolarHBondContact O-CB 3.5Å; V67-Q71 VanDerWaalsContact O-CG 3.28Å; V67-Q71 WeakPolarHBondContact O-CG 3.44Å; V67-Q71 PolarHBondContact O-N 3.07Å |
| 68 | H | 69.9 | Low | 66.3 | Low | 94 Ų | 94 | 64.1 Ų | 64.1 | 44% | 0.435 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.3 | -42.4 | 176.7 | -74.4 | -47.5 | 0 | 0 | 0 | 113 | R64 E65 Q66 I70 Q71 N72 | R64-H68 PolarHBondContact O-CD2 2.83Å; R64-H68 VanDerWaalsContact O-CD2 3.29Å; R64-H68 PolarHBondContact O-N 3.2Å; R64-H68 VanDerWaalsContact O-N 3.08Å; E65-H68 PolarHBondContact O-N 3Å; E65-H68 VanDerWaalsContact O-N 3.14Å; Q66-H68 VanDerWaalsContact C-N 3.33Å; Q66-H68 PolarHBondContact O-N 3.41Å; H68-I70 PolarHBondContact O-N 3.47Å; H68-Q71 PolarHBondContact ND1-OE1 3.26Å; H68-Q71 PolarHBondContact O-N 2.91Å; H68-N72 VanDerWaalsContact O-CG 3.3Å; H68-N72 PolarHBondContact O-N 3.31Å; H68-N72 PolarHBondContact O-ND2 2.92Å |
| 69 | L | 71.6 | Confident | 65 | Low | 42 Ų | 42 | 64 Ų | 64 | 22% | 0.22 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.3 | -41 | 177.9 | -71 | 172.2 | 0 | 0 | 0 | 112 | V33 A36 M40 E65 Q66 N72 A73 | V33-L69 HydrophobicContact CB-CB 4.32Å; V33-L69 HydrophobicContact CG1-CB 3.61Å; V33-L69 HydrophobicContact CG1-CD1 4.15Å; V33-L69 HydrophobicContact CG2-CB 3.87Å; A36-L69 HydrophobicContact CB-CD1 4.01Å; M40-L69 HydrophobicContact CE-CD1 4.49Å; E65-L69 HydrophobicContact CG-CD1 4.41Å; E65-L69 VanDerWaalsContact O-CG 3.32Å; E65-L69 WeakPolarHBondContact O-CG 3.4Å; E65-L69 PolarHBondContact O-N 2.91Å; Q66-L69 PolarHBondContact O-N 3.22Å; L69-N72 PolarHBondContact O-N 3.26Å; L69-A73 WeakPolarHBondContact O-CB 3.37Å; L69-A73 PolarHBondContact O-N 3.3Å |
| 70 | I | 67.1 | Low | 63.8 | Low | 15 Ų | 15 | 68.8 Ų | 68.8 | 8% | 0.077 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.6 | -44.1 | 174.6 | -66.4 | 170.3 | 0 | 0 | 0 | 110.8 | W9 T13 L17 I25 V33 Q66 V67 H68 N72 A73 I74 | W9-I70 HydrophobicContact CH2-CD1 4.1Å; W9-I70 HydrophobicContact CH2-CG1 4.3Å; W9-I70 HydrophobicContact CZ2-CD1 4.27Å; T13-I70 HydrophobicContact CG2-CD1 3.86Å; L17-I70 HydrophobicContact CD1-CG2 3.96Å; L17-I70 HydrophobicContact CD2-CG2 4.17Å; I25-I70 HydrophobicContact CD1-CG2 4.49Å; V33-I70 HydrophobicContact CG1-CG1 4.03Å; Q66-I70 HydrophobicContact CG-CD1 3.98Å; Q66-I70 WeakPolarHBondContact O-CG1 3.43Å; Q66-I70 PolarHBondContact O-N 2.94Å; V67-I70 PolarHBondContact O-N 3.02Å; H68-I70 PolarHBondContact O-N 3.47Å; I70-N72 VanDerWaalsContact C-N 3.32Å; I70-N72 PolarHBondContact O-N 3.35Å; I70-A73 WeakPolarHBondContact O-CB 3.48Å; I70-A73 PolarHBondContact O-N 3.21Å; I70-I74 HydrophobicContact CG2-CD1 4.02Å; I70-I74 HydrophobicContact CG2-CG1 4.5Å; I70-I74 WeakPolarHBondContact O-CG1 3.48Å; I70-I74 PolarHBondContact O-N 3.5Å |
| 71 | Q | 61.8 | Low | 62.4 | Low | 96 Ų | 96 | 67 Ų | 67 | 45% | 0.449 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.1 | -44 | 176.1 | -76.5 | 175 | -15.3 | 0 | 0 | 111.8 | V67 H68 A73 I74 I75 | V67-Q71 WeakPolarHBondContact O-CB 3.5Å; V67-Q71 VanDerWaalsContact O-CG 3.28Å; V67-Q71 WeakPolarHBondContact O-CG 3.44Å; V67-Q71 PolarHBondContact O-N 3.07Å; H68-Q71 PolarHBondContact ND1-OE1 3.26Å; H68-Q71 PolarHBondContact O-N 2.91Å; Q71-A73 VanDerWaalsContact C-N 3.34Å; Q71-A73 PolarHBondContact O-N 2.79Å; Q71-I74 PolarHBondContact O-N 3.26Å; Q71-I75 WeakPolarHBondContact O-CB 3.47Å; Q71-I75 WeakPolarHBondContact O-CD1 3.48Å; Q71-I75 VanDerWaalsContact O-CG1 3.25Å; Q71-I75 WeakPolarHBondContact O-CG1 3.46Å; Q71-I75 PolarHBondContact O-N 3.4Å |
| 72 | N | 67.2 | Low | 60.9 | Low | 74 Ų | 74 | 70.4 Ų | 70.4 | 40% | 0.396 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.8 | -42.2 | 175.8 | -71.8 | -18.5 | 0 | 0 | 0 | 111.4 | H68 L69 I70 I74 I75 E76 | H68-N72 VanDerWaalsContact O-CG 3.3Å; H68-N72 PolarHBondContact O-N 3.31Å; H68-N72 PolarHBondContact O-ND2 2.92Å; L69-N72 PolarHBondContact O-N 3.26Å; I70-N72 VanDerWaalsContact C-N 3.32Å; I70-N72 PolarHBondContact O-N 3.35Å; N72-I74 PolarHBondContact O-N 2.84Å; N72-I75 PolarHBondContact O-N 3.01Å; N72-E76 WeakPolarHBondContact O-CB 3.37Å; N72-E76 WeakPolarHBondContact O-CG 3.45Å; N72-E76 PolarHBondContact O-N 2.97Å |
| 73 | A | 64.7 | Low | 59.6 | Low | 2 Ų | 2 | 73.8 Ų | 73.8 | 2% | 0.017 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.3 | -39.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I25 K29 L69 I70 Q71 S77 | I25-A73 HydrophobicContact CG2-CB 4.17Å; K29-A73 HydrophobicContact CG-CB 3.55Å; L69-A73 WeakPolarHBondContact O-CB 3.37Å; L69-A73 PolarHBondContact O-N 3.3Å; I70-A73 WeakPolarHBondContact O-CB 3.48Å; I70-A73 PolarHBondContact O-N 3.21Å; Q71-A73 VanDerWaalsContact C-N 3.34Å; Q71-A73 PolarHBondContact O-N 2.79Å; A73-S77 WeakPolarHBondContact O-CB 3.35Å; A73-S77 PolarHBondContact O-N 2.92Å; A73-S77 PolarHBondContact O-OG 2.99Å |
| 74 | I | 62 | Low | 58.6 | Low | 36 Ų | 36 | 70.1 Ų | 70.1 | 19% | 0.185 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.5 | -50.7 | 172.8 | -71.2 | 167.8 | 0 | 0 | 0 | 109.8 | L19 A23 I25 I70 Q71 N72 E76 S77 I78 | L19-I74 HydrophobicContact CD2-CD1 4.46Å; A23-I74 HydrophobicContact CB-CG2 3.9Å; I25-I74 HydrophobicContact CD1-CB 4.45Å; I25-I74 HydrophobicContact CD1-CD1 4.04Å; I25-I74 HydrophobicContact CD1-CG1 3.25Å; I25-I74 HydrophobicContact CG1-CG1 3.73Å; I70-I74 HydrophobicContact CG2-CD1 4.02Å; I70-I74 HydrophobicContact CG2-CG1 4.5Å; I70-I74 WeakPolarHBondContact O-CG1 3.48Å; I70-I74 PolarHBondContact O-N 3.5Å; Q71-I74 PolarHBondContact O-N 3.26Å; N72-I74 PolarHBondContact O-N 2.84Å; I74-E76 PolarHBondContact O-N 3Å; I74-S77 PolarHBondContact O-N 3.2Å; I74-S77 VanDerWaalsContact O-N 3.16Å; I74-S77 PolarHBondContact O-OG 3.45Å; I74-I78 HydrophobicContact CG2-CD1 3.86Å; I74-I78 WeakPolarHBondContact O-CG1 3.39Å; I74-I78 PolarHBondContact O-N 2.73Å |
| 75 | I | 60 | Low | 57.8 | Low | 31 Ų | 31 | 64.4 Ų | 64.4 | 16% | 0.159 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.7 | -46.3 | -179.3 | -69.5 | 163.8 | 0 | 0 | 0 | 110.7 | Q71 N72 S77 I78 F79 W107 | Q71-I75 WeakPolarHBondContact O-CB 3.47Å; Q71-I75 WeakPolarHBondContact O-CD1 3.48Å; Q71-I75 VanDerWaalsContact O-CG1 3.25Å; Q71-I75 WeakPolarHBondContact O-CG1 3.46Å; Q71-I75 PolarHBondContact O-N 3.4Å; N72-I75 PolarHBondContact O-N 3.01Å; I75-S77 PolarHBondContact O-N 3.25Å; I75-I78 WeakPolarHBondContact O-CB 3.49Å; I75-I78 PolarHBondContact O-N 3Å; I75-I78 VanDerWaalsContact O-N 3.16Å; I75-F79 HydrophobicContact CG2-CD2 3.75Å; I75-F79 HydrophobicContact CG2-CE2 3.3Å; I75-F79 HydrophobicContact CG2-CZ 4.16Å; I75-F79 WeakPolarHBondContact O-CD2 3.25Å; I75-F79 PolarHBondContact O-N 3.49Å; I75-W107 HydrophobicContact CD1-CZ3 4.27Å; I75-W107 HydrophobicContact CG1-CE3 4.35Å; I75-W107 HydrophobicContact CG1-CH2 4.27Å; I75-W107 HydrophobicContact CG1-CZ3 3.86Å; I75-W107 HydrophobicContact CG2-CD2 4.21Å; I75-W107 HydrophobicContact CG2-CE3 3.92Å; I75-W107 HydrophobicContact CG2-CZ3 4.25Å |
| 76 | E | 60.4 | Low | 57.1 | Low | 87 Ų | 87 | 61.5 Ų | 61.5 | 41% | 0.407 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -57.1 | -41.1 | 172 | -75.4 | -179.5 | -162.9 | 0 | 0 | 113.7 | K29 N72 I74 I78 F79 Q80 | K29-E76 WeakPolarHBondContact CE-OE2 2.98Å; K29-E76 IonicContact NZ-OE1 3.96Å; K29-E76 IonicContact NZ-OE2 2.62Å; K29-E76 PolarHBondContact NZ-OE2 2.82Å; N72-E76 WeakPolarHBondContact O-CB 3.37Å; N72-E76 WeakPolarHBondContact O-CG 3.45Å; N72-E76 PolarHBondContact O-N 2.97Å; I74-E76 PolarHBondContact O-N 3Å; E76-I78 VanDerWaalsContact C-N 3.33Å; E76-I78 PolarHBondContact O-N 2.88Å; E76-F79 WeakPolarHBondContact O-CB 3.16Å; E76-F79 PolarHBondContact O-N 3.37Å; E76-Q80 PolarHBondContact O-N 2.94Å |
| 77 | S | 55.3 | Low | 56.5 | Low | 7 Ų | 7 | 65.9 Ų | 65.9 | 5% | 0.049 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.5 | -34.8 | 176 | 73.8 | 0 | 0 | 0 | 0 | 112.1 | A73 I74 I75 F79 Q80 Y81 | A73-S77 WeakPolarHBondContact O-CB 3.35Å; A73-S77 PolarHBondContact O-N 2.92Å; A73-S77 PolarHBondContact O-OG 2.99Å; I74-S77 PolarHBondContact O-N 3.2Å; I74-S77 VanDerWaalsContact O-N 3.16Å; I74-S77 PolarHBondContact O-OG 3.45Å; I75-S77 PolarHBondContact O-N 3.25Å; S77-F79 VanDerWaalsContact C-N 3.34Å; S77-Q80 WeakPolarHBondContact O-CB 3.41Å; S77-Q80 PolarHBondContact O-N 3.45Å; S77-Y81 WeakPolarHBondContact O-CD2 3.48Å |
| 78 | I | 49.1 | Very low | 55.8 | Low | 41 Ų | 41 | 66.8 Ų | 66.8 | 21% | 0.21 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -69 | -35.3 | 174.2 | -65.1 | 164.2 | 0 | 0 | 0 | 110.7 | A23 I74 I75 E76 Q80 Y81 I84 W107 | A23-I78 HydrophobicContact CB-CD1 4.17Å; A23-I78 HydrophobicContact CB-CG1 3.86Å; I74-I78 HydrophobicContact CG2-CD1 3.86Å; I74-I78 WeakPolarHBondContact O-CG1 3.39Å; I74-I78 PolarHBondContact O-N 2.73Å; I75-I78 WeakPolarHBondContact O-CB 3.49Å; I75-I78 PolarHBondContact O-N 3Å; I75-I78 VanDerWaalsContact O-N 3.16Å; E76-I78 VanDerWaalsContact C-N 3.33Å; E76-I78 PolarHBondContact O-N 2.88Å; I78-Q80 VanDerWaalsContact C-N 3.28Å; I78-Q80 PolarHBondContact O-N 3.23Å; I78-Y81 PolarHBondContact O-N 3.14Å; I78-I84 HydrophobicContact CG2-CD1 4.03Å; I78-W107 HydrophobicContact CD1-CZ2 4.32Å; I78-W107 HydrophobicContact CG2-CZ2 4.01Å |
| 79 | F | 47.7 | Very low | 54.9 | Low | 58 Ų | 58 | 63.1 Ų | 63.1 | 25% | 0.254 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.1 | -35.4 | 173.1 | -77.7 | -64.1 | 0 | 0 | 0 | 113.2 | I75 E76 S77 Y81 E82 C101 S103 W107 | I75-F79 HydrophobicContact CG2-CD2 3.75Å; I75-F79 HydrophobicContact CG2-CE2 3.3Å; I75-F79 HydrophobicContact CG2-CZ 4.16Å; I75-F79 WeakPolarHBondContact O-CD2 3.25Å; I75-F79 PolarHBondContact O-N 3.49Å; E76-F79 WeakPolarHBondContact O-CB 3.16Å; E76-F79 PolarHBondContact O-N 3.37Å; S77-F79 VanDerWaalsContact C-N 3.34Å; F79-Y81 PolarHBondContact O-N 3.21Å; F79-E82 PolarHBondContact O-N 2.93Å; F79-C101 HydrophobicContact CD1-CB 4.22Å; F79-C101 HydrophobicContact CE1-CB 3.52Å; F79-C101 HydrophobicContact CZ-CB 4.47Å; F79-S103 WeakPolarHBondContact CZ-O 3.27Å; F79-W107 AromaticContact CD1-CD1 3.91Å; F79-W107 HydrophobicContact CD1-CG 4.43Å; F79-W107 HydrophobicContact CE1-CB 3.39Å; F79-W107 AromaticContact CE1-CD1 3.34Å; F79-W107 AromaticContact CE1-CG 3.54Å; F79-W107 HydrophobicContact CE1-CG 3.54Å; F79-W107 HydrophobicContact CE2-CB 4.19Å; F79-W107 HydrophobicContact CE2-CG 4.31Å; F79-W107 HydrophobicContact CZ-CB 3.12Å; F79-W107 AromaticContact CZ-CD1 3.78Å; F79-W107 HydrophobicContact CZ-CD2 4.37Å; F79-W107 AromaticContact CZ-CG 3.49Å; F79-W107 HydrophobicContact CZ-CG 3.49Å; F79-W107 VanDerWaalsContact CZ-CG 3.49Å |
| 80 | Q | 43.6 | Very low | 54.1 | Low | 147 Ų | 147 | 64 Ų | 64 | 69% | 0.687 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -20.9 | 173.3 | -77.8 | -175.2 | -12.5 | 0 | 0 | 113.2 | E76 S77 I78 | E76-Q80 PolarHBondContact O-N 2.94Å; S77-Q80 WeakPolarHBondContact O-CB 3.41Å; S77-Q80 PolarHBondContact O-N 3.45Å; I78-Q80 VanDerWaalsContact C-N 3.28Å; I78-Q80 PolarHBondContact O-N 3.23Å |
| 81 | Y | 39.5 | Very low | 53.3 | Low | 116 Ų | 116 | 69.6 Ų | 69.6 | 46% | 0.455 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 15.5 | 179.4 | -75.7 | -72.2 | 0 | 0 | 0 | 114 | K24 S77 I78 F79 T83 | K24-Y81 HydrophobicContact CB-CE2 3.96Å; K24-Y81 WeakPolarHBondContact CB-OH 3.11Å; S77-Y81 WeakPolarHBondContact O-CD2 3.48Å; I78-Y81 PolarHBondContact O-N 3.14Å; F79-Y81 PolarHBondContact O-N 3.21Å; Y81-T83 WeakPolarHBondContact O-CB 3.21Å; Y81-T83 VanDerWaalsContact O-CG2 3.24Å; Y81-T83 WeakPolarHBondContact O-CG2 3.33Å; Y81-T83 PolarHBondContact O-N 3.25Å; Y81-T83 PolarHBondContact O-OG1 3.45Å |
| 82 | E | 41.8 | Very low | 52.7 | Low | 153 Ų | 153 | 69.3 Ų | 69.3 | 72% | 0.715 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 39.1 | 43 | 170.7 | -68.7 | -170.6 | 165 | 0 | 0 | 115.4 | F79 | F79-E82 PolarHBondContact O-N 2.93Š|
| 83 | T | 44 | Very low | 52 | Low | 86 Ų | 86 | 71.8 Ų | 71.8 | 53% | 0.528 | 37% | 0.373 | S | S | . | . | trans | -120.7 | 1.2 | -167 | 25.4 | 0 | 0 | 0 | 0 | 115.5 | Y81 G98 | Y81-T83 WeakPolarHBondContact O-CB 3.21Å; Y81-T83 VanDerWaalsContact O-CG2 3.24Å; Y81-T83 WeakPolarHBondContact O-CG2 3.33Å; Y81-T83 PolarHBondContact O-N 3.25Å; Y81-T83 PolarHBondContact O-OG1 3.45Å; T83-G98 WeakPolarHBondContact O-CA 3.4Å | ||
| 84 | I | 49.3 | Very low | 50.9 | Low | 53 Ų | 53 | 77.4 Ų | 77.4 | 27% | 0.272 | 41% | 0.407 | S | S | . | . | trans | -127.2 | 130.2 | 178.8 | -67.1 | 169.8 | 0 | 0 | 0 | 111.3 | I78 W107 V111 | I78-I84 HydrophobicContact CG2-CD1 4.03Å; I84-W107 HydrophobicContact CD1-CZ2 3.32Å; I84-W107 HydrophobicContact CG2-CG 4.37Å; I84-V111 HydrophobicContact CD1-CG2 4.2Å; I84-V111 HydrophobicContact CG2-CG2 4.37Å | ||
| 85 | S | 49.1 | Very low | 50.1 | Low | 25 Ų | 25 | 79.9 Ų | 79.9 | 18% | 0.175 | 43% | 0.432 | C | S | . | . | trans | -87.5 | 135.8 | 175.6 | 176 | 0 | 0 | 0 | 0 | 110.1 | N87 Y99 A110 | S85-N87 VanDerWaalsContact C-N 3.3Å; S85-N87 PolarHBondContact O-N 3.42Å; S85-Y99 VanDerWaalsContact CA-O 3.31Å; S85-Y99 WeakPolarHBondContact CA-O 3.34Å; S85-A110 VanDerWaalsContact O-CB 3.25Å; S85-A110 WeakPolarHBondContact O-CB 3.32Å | ||
| 86 | C | 57.4 | Low | 49.8 | Very low | 22 Ų | 22 | 80 Ų | 80 | 15% | 0.149 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -87 | 6.1 | -177.3 | -100 | 0 | 0 | 0 | 0 | 115.9 | C101 Q106 W107 | C86-C101 WeakPolarHBondContact CA-SG 3.32Å; C86-C101 HydrophobicContact CB-CB 3.75Å; C86-C101 WeakPolarHBondContact CB-SG 3.48Å; C86-C101 PolarHBondContact N-SG 3.01Å; C86-C101 WeakPolarHBondContact SG-CA 3.28Å; C86-C101 WeakPolarHBondContact SG-CB 3.48Å; C86-C101 CovalentContact SG-SG 1.98Å; C86-C101 PolarHBondContact SG-SG 3.3Å; C86-Q106 HydrophobicContact CB-CB 4.29Å; C86-Q106 WeakPolarHBondContact SG-CB 3.41Å; C86-W107 VanDerWaalsContact SG-CA 3.58Å; C86-W107 PolarHBondContact SG-N 3.07Å |
| 87 | N | 56.2 | Low | 48.8 | Very low | 122 Ų | 122 | 84.5 Ų | 84.5 | 65% | 0.652 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -89.4 | 145.2 | 173.3 | -65.6 | -33.9 | 0 | 0 | 0 | 110.2 | S85 C89 | S85-N87 VanDerWaalsContact C-N 3.3Å; S85-N87 PolarHBondContact O-N 3.42Å; N87-C89 PolarHBondContact O-N 3.23Å |
| 88 | N | 53.1 | Low | 48.5 | Very low | 95 Ų | 95 | 84.4 Ų | 84.4 | 51% | 0.508 | 45% | 0.454 | S | S | . | . | trans | -65.7 | 132.3 | 175.5 | -74.8 | -19.1 | 0 | 0 | 0 | 110.6 | T90 | N88-T90 PolarHBondContact O-N 2.96Š| ||
| 89 | C | 52.7 | Low | 48.3 | Very low | 18 Ų | 18 | 90.5 Ų | 90.5 | 12% | 0.122 | 48% | 0.476 | C | S | . | . | trans | -71 | 111.2 | 171.6 | -48.6 | 0 | 0 | 0 | 0 | 108.9 | N87 C96 Y117 | N87-C89 PolarHBondContact O-N 3.23Å; C89-C96 WeakPolarHBondContact CA-SG 3.35Å; C89-C96 HydrophobicContact CB-CB 4.2Å; C89-C96 WeakPolarHBondContact CB-SG 3.33Å; C89-C96 WeakPolarHBondContact SG-CB 3.37Å; C89-C96 CovalentContact SG-SG 2.02Å; C89-C96 PolarHBondContact SG-SG 3.35Å; C89-Y117 HydrophobicContact CB-CG 4.36Å | ||
| 90 | T | 53.8 | Low | 48.2 | Very low | 60 Ų | 60 | 94.9 Ų | 94.9 | 37% | 0.368 | 50% | 0.502 | S | S | . | . | trans | -115.8 | 163.5 | 174.8 | 58.9 | 0 | 0 | 0 | 0 | 109.7 | N88 S92 H93 | N88-T90 PolarHBondContact O-N 2.96Å; T90-S92 PolarHBondContact O-N 3.29Å; T90-S92 PolarHBondContact OG1-OG 2.95Å; T90-H93 CarbonylContact O-C 3.38Å; T90-H93 PolarHBondContact O-N 3.37Å | ||
| 91 | D | 51.3 | Low | 49 | Very low | 132 Ų | 132 | 89.2 Ų | 89.2 | 71% | 0.706 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -23.3 | 178.4 | -58.3 | -29.4 | 0 | 0 | 0 | 113.4 | ||
| 92 | S | 48.4 | Very low | 50.1 | Low | 91 Ų | 91 | 92 Ų | 92 | 64% | 0.636 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -14.9 | 175.9 | 59.8 | 0 | 0 | 0 | 0 | 114.6 | T90 | T90-S92 PolarHBondContact O-N 3.29Å; T90-S92 PolarHBondContact OG1-OG 2.95Å |
| 93 | H | 51.6 | Low | 51.2 | Low | 125 Ų | 125 | 87 Ų | 87 | 58% | 0.579 | 48% | 0.478 | S | S | * | . | trans | -128.4 | 83.1 | -178 | -68 | -36.9 | 0 | 0 | 0 | 109.8 | T90 A95 | T90-H93 CarbonylContact O-C 3.38Å; T90-H93 PolarHBondContact O-N 3.37Å; H93-A95 VanDerWaalsContact C-N 3.28Å; H93-A95 PolarHBondContact O-N 3.02Å | ||
| 94 | V | 42.6 | Very low | 51.8 | Low | 121 Ų | 121 | 86 Ų | 86 | 73% | 0.733 | 47% | 0.474 | S | S | * | . | trans | -72.3 | -18.1 | -173 | -170.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 95 | A | 45.7 | Very low | 52.6 | Low | 87 Ų | 87 | 86.8 Ų | 86.8 | 72% | 0.719 | 49% | 0.488 | S | S | * | . | trans | -101.3 | 96.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | H93 | H93-A95 VanDerWaalsContact C-N 3.28Å; H93-A95 PolarHBondContact O-N 3.02Å | ||
| 96 | C | 53.3 | Low | 53.2 | Low | 33 Ų | 33 | 89.2 Ų | 89.2 | 22% | 0.223 | 50% | 0.497 | C | S | . | . | trans | -99 | 67.7 | 163.7 | -81.9 | 0 | 0 | 0 | 0 | 110.5 | C89 | C89-C96 WeakPolarHBondContact CA-SG 3.35Å; C89-C96 HydrophobicContact CB-CB 4.2Å; C89-C96 WeakPolarHBondContact CB-SG 3.33Å; C89-C96 WeakPolarHBondContact SG-CB 3.37Å; C89-C96 CovalentContact SG-SG 2.02Å; C89-C96 PolarHBondContact SG-SG 3.35Å | ||
| 97 | F | 40.1 | Very low | 53.5 | Low | 182 Ų | 182 | 89.6 Ų | 89.6 | 80% | 0.798 | 50% | 0.495 | S | S | * | . | trans | -120.6 | 100.4 | 166.1 | -80.8 | -81 | 0 | 0 | 0 | 109.4 | ||||
| 98 | G | 47.3 | Very low | 53.9 | Low | 5 Ų | 5 | 90 Ų | 90 | 5% | 0.052 | 49% | 0.491 | C | S | . | . | trans | 65.8 | 67.2 | 138 | 0 | 0 | 0 | 0 | 0 | 123.2 | T83 | T83-G98 WeakPolarHBondContact O-CA 3.4Š| ||
| 99 | Y | 46.5 | Very low | 54.5 | Low | 169 Ų | 169 | 88.5 Ų | 88.5 | 66% | 0.663 | 49% | 0.488 | S | S | * | . | trans | -154.3 | 145.1 | 160.5 | -68.8 | -74.8 | 0 | 0 | 0 | 114.9 | S85 | S85-Y99 VanDerWaalsContact CA-O 3.31Å; S85-Y99 WeakPolarHBondContact CA-O 3.34Å | ||
| 100 | N | 45.6 | Very low | 54.9 | Low | 151 Ų | 151 | 87.9 Ų | 87.9 | 81% | 0.807 | 48% | 0.484 | S | S | * | . | trans | 66.2 | 51.3 | 158.1 | -76 | -7.3 | 0 | 0 | 0 | 119.9 | ||||
| 101 | C | 58.9 | Low | 55.2 | Low | 28 Ų | 28 | 86.9 Ų | 86.9 | 19% | 0.189 | 48% | 0.478 | C | S | . | . | trans | -84.1 | 122.9 | 162.6 | -70.8 | 0 | 0 | 0 | 0 | 112.3 | F79 C86 W107 | F79-C101 HydrophobicContact CD1-CB 4.22Å; F79-C101 HydrophobicContact CE1-CB 3.52Å; F79-C101 HydrophobicContact CZ-CB 4.47Å; C86-C101 WeakPolarHBondContact CA-SG 3.32Å; C86-C101 HydrophobicContact CB-CB 3.75Å; C86-C101 WeakPolarHBondContact CB-SG 3.48Å; C86-C101 PolarHBondContact N-SG 3.01Å; C86-C101 WeakPolarHBondContact SG-CA 3.28Å; C86-C101 WeakPolarHBondContact SG-CB 3.48Å; C86-C101 CovalentContact SG-SG 1.98Å; C86-C101 PolarHBondContact SG-SG 3.3Å; C101-W107 HydrophobicContact CB-CB 4.48Å | ||
| 102 | E | 64.2 | Low | 55.8 | Low | 175 Ų | 175 | 85.6 Ų | 85.6 | 82% | 0.818 | 47% | 0.467 | S | S | * | . | trans | -87.2 | -10.9 | 180 | -60.9 | -178.5 | 166.9 | 0 | 0 | 113.1 | ||||
| 103 | S | 64.6 | Low | 56.5 | Low | 48 Ų | 48 | 82 Ų | 82 | 34% | 0.336 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -158.6 | 160.4 | -179.8 | 65.1 | 0 | 0 | 0 | 0 | 114.7 | F79 A105 Q106 W107 | F79-S103 WeakPolarHBondContact CZ-O 3.27Å; S103-A105 VanDerWaalsContact C-N 3.28Å; S103-A105 PolarHBondContact O-N 3.04Å; S103-Q106 PolarHBondContact O-N 3.25Å; S103-Q106 WeakPolarHBondContact OG-CG 3.03Å; S103-Q106 PolarHBondContact OG-N 3.44Å; S103-W107 PolarHBondContact O-N 3.46Å |
| 104 | S | 56.1 | Low | 56.9 | Low | 64 Ų | 64 | 79.2 Ų | 79.2 | 45% | 0.448 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -56.2 | -37 | 174.1 | 58.6 | 0 | 0 | 0 | 0 | 113.9 | K108 | S104-K108 PolarHBondContact O-N 3.45Å; S104-K108 VanDerWaalsContact O-N 3.12Å |
| 105 | A | 65.8 | Low | 57.6 | Low | 69 Ų | 69 | 78 Ų | 78 | 57% | 0.57 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -66.7 | -43.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S103 K108 S109 | S103-A105 VanDerWaalsContact C-N 3.28Å; S103-A105 PolarHBondContact O-N 3.04Å; A105-K108 PolarHBondContact O-N 3.49Å; A105-S109 PolarHBondContact O-N 3.06Å; A105-S109 VanDerWaalsContact O-N 3.11Å |
| 106 | Q | 62.4 | Low | 58.4 | Low | 77 Ų | 77 | 78.3 Ų | 78.3 | 36% | 0.36 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 178.4 | -74.4 | 175.9 | -9.6 | 0 | 0 | 111.5 | C86 S103 S109 A110 | C86-Q106 HydrophobicContact CB-CB 4.29Å; C86-Q106 WeakPolarHBondContact SG-CB 3.41Å; S103-Q106 PolarHBondContact O-N 3.25Å; S103-Q106 WeakPolarHBondContact OG-CG 3.03Å; S103-Q106 PolarHBondContact OG-N 3.44Å; Q106-S109 WeakPolarHBondContact O-CB 3.31Å; Q106-S109 PolarHBondContact O-N 3Å; Q106-A110 PolarHBondContact O-N 3.31Å |
| 107 | W | 64 | Low | 58.7 | Low | 30 Ų | 30 | 78.9 Ų | 78.9 | 11% | 0.114 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 177.5 | -179.3 | 98.2 | 0 | 0 | 0 | 112.7 | I75 I78 F79 I84 C86 C101 S103 S109 A110 V111 | I75-W107 HydrophobicContact CD1-CZ3 4.27Å; I75-W107 HydrophobicContact CG1-CE3 4.35Å; I75-W107 HydrophobicContact CG1-CH2 4.27Å; I75-W107 HydrophobicContact CG1-CZ3 3.86Å; I75-W107 HydrophobicContact CG2-CD2 4.21Å; I75-W107 HydrophobicContact CG2-CE3 3.92Å; I75-W107 HydrophobicContact CG2-CZ3 4.25Å; I78-W107 HydrophobicContact CD1-CZ2 4.32Å; I78-W107 HydrophobicContact CG2-CZ2 4.01Å; F79-W107 AromaticContact CD1-CD1 3.91Å; F79-W107 HydrophobicContact CD1-CG 4.43Å; F79-W107 HydrophobicContact CE1-CB 3.39Å; F79-W107 AromaticContact CE1-CD1 3.34Å; F79-W107 AromaticContact CE1-CG 3.54Å; F79-W107 HydrophobicContact CE1-CG 3.54Å; F79-W107 HydrophobicContact CE2-CB 4.19Å; F79-W107 HydrophobicContact CE2-CG 4.31Å; F79-W107 HydrophobicContact CZ-CB 3.12Å; F79-W107 AromaticContact CZ-CD1 3.78Å; F79-W107 HydrophobicContact CZ-CD2 4.37Å; F79-W107 AromaticContact CZ-CG 3.49Å; F79-W107 HydrophobicContact CZ-CG 3.49Å; F79-W107 VanDerWaalsContact CZ-CG 3.49Å; I84-W107 HydrophobicContact CD1-CZ2 3.32Å; I84-W107 HydrophobicContact CG2-CG 4.37Å; C86-W107 VanDerWaalsContact SG-CA 3.58Å; C86-W107 PolarHBondContact SG-N 3.07Å; C101-W107 HydrophobicContact CB-CB 4.48Å; S103-W107 PolarHBondContact O-N 3.46Å; W107-S109 PolarHBondContact O-N 2.97Å; W107-A110 PolarHBondContact O-N 3.3Å; W107-A110 VanDerWaalsContact O-N 3.08Å; W107-V111 HydrophobicContact CD2-CG2 3.91Å; W107-V111 HydrophobicContact CE3-CG2 3.97Å; W107-V111 HydrophobicContact CH2-CG2 3.78Å; W107-V111 HydrophobicContact CZ2-CG2 3.74Å; W107-V111 HydrophobicContact CZ3-CG2 3.89Å; W107-V111 WeakPolarHBondContact O-CG2 3.43Å; W107-V111 PolarHBondContact O-N 3.46Å |
| 108 | K | 63.4 | Low | 59.5 | Low | 131 Ų | 131 | 73.2 Ų | 73.2 | 57% | 0.57 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -58 | -42.4 | 176.4 | -177.2 | 179.1 | 179 | 178.2 | 0 | 110.8 | S104 A105 Q112 | S104-K108 PolarHBondContact O-N 3.45Å; S104-K108 VanDerWaalsContact O-N 3.12Å; A105-K108 PolarHBondContact O-N 3.49Å; K108-Q112 PolarHBondContact O-N 2.88Å; K108-Q112 VanDerWaalsContact O-N 3.07Å; K108-Q112 PolarHBondContact O-OE1 3.2Å |
| 109 | S | 67.3 | Low | 60 | Low | 63 Ų | 63 | 77.4 Ų | 77.4 | 44% | 0.441 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62 | -44 | 175 | -171.3 | 0 | 0 | 0 | 0 | 112 | A105 Q106 W107 Q112 G113 | A105-S109 PolarHBondContact O-N 3.06Å; A105-S109 VanDerWaalsContact O-N 3.11Å; Q106-S109 WeakPolarHBondContact O-CB 3.31Å; Q106-S109 PolarHBondContact O-N 3Å; W107-S109 PolarHBondContact O-N 2.97Å; S109-Q112 PolarHBondContact O-N 3.47Å; S109-G113 PolarHBondContact O-N 3.34Å |
| 110 | A | 60.2 | Low | 60.7 | Low | 4 Ų | 4 | 74.1 Ų | 74.1 | 3% | 0.033 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -66.2 | -40.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S85 Q106 W107 Q112 G113 L114 | S85-A110 VanDerWaalsContact O-CB 3.25Å; S85-A110 WeakPolarHBondContact O-CB 3.32Å; Q106-A110 PolarHBondContact O-N 3.31Å; W107-A110 PolarHBondContact O-N 3.3Å; W107-A110 VanDerWaalsContact O-N 3.08Å; A110-Q112 VanDerWaalsContact C-N 3.35Å; A110-Q112 PolarHBondContact O-N 3.14Å; A110-G113 PolarHBondContact O-N 3.48Å; A110-L114 PolarHBondContact O-N 3.08Å |
| 111 | V | 60.2 | Low | 61.1 | Low | 39 Ų | 39 | 72.9 Ų | 72.9 | 24% | 0.236 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 173.6 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | I84 W107 G113 L114 L115 | I84-V111 HydrophobicContact CD1-CG2 4.2Å; I84-V111 HydrophobicContact CG2-CG2 4.37Å; W107-V111 HydrophobicContact CD2-CG2 3.91Å; W107-V111 HydrophobicContact CE3-CG2 3.97Å; W107-V111 HydrophobicContact CH2-CG2 3.78Å; W107-V111 HydrophobicContact CZ2-CG2 3.74Å; W107-V111 HydrophobicContact CZ3-CG2 3.89Å; W107-V111 WeakPolarHBondContact O-CG2 3.43Å; W107-V111 PolarHBondContact O-N 3.46Å; V111-G113 VanDerWaalsContact C-N 3.34Å; V111-G113 PolarHBondContact O-N 3.4Å; V111-L114 PolarHBondContact O-N 3.4Å; V111-L115 HydrophobicContact CG1-CD1 4.31Å; V111-L115 WeakPolarHBondContact O-CG 3.4Å; V111-L115 PolarHBondContact O-N 3.18Å |
| 112 | Q | 63.4 | Low | 60.7 | Low | 105 Ų | 105 | 76 Ų | 76 | 49% | 0.491 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.1 | -38.5 | 174.2 | -82.4 | 172.9 | -58.3 | 0 | 0 | 112.4 | K108 S109 A110 L115 N116 | K108-Q112 PolarHBondContact O-N 2.88Å; K108-Q112 VanDerWaalsContact O-N 3.07Å; K108-Q112 PolarHBondContact O-OE1 3.2Å; S109-Q112 PolarHBondContact O-N 3.47Å; A110-Q112 VanDerWaalsContact C-N 3.35Å; A110-Q112 PolarHBondContact O-N 3.14Å; Q112-L115 PolarHBondContact O-N 3.15Å; Q112-N116 WeakPolarHBondContact O-CB 2.96Å; Q112-N116 PolarHBondContact O-N 3.28Å; Q112-N116 PolarHBondContact O-ND2 2.94Å |
| 113 | G | 64.2 | Low | 60.1 | Low | 15 Ų | 15 | 74.2 Ų | 74.2 | 16% | 0.155 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -58.8 | -46 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S109 A110 V111 N116 Y117 | S109-G113 PolarHBondContact O-N 3.34Å; A110-G113 PolarHBondContact O-N 3.48Å; V111-G113 VanDerWaalsContact C-N 3.34Å; V111-G113 PolarHBondContact O-N 3.4Å; G113-N116 PolarHBondContact O-N 3.44Å; G113-Y117 WeakPolarHBondContact O-CB 3.44Å; G113-Y117 PolarHBondContact O-N 3.43Å |
| 114 | L | 58.4 | Low | 59.3 | Low | 68 Ų | 68 | 78.4 Ų | 78.4 | 36% | 0.356 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.4 | -46.5 | 176.5 | 177.7 | 62.6 | 0 | 0 | 0 | 112.3 | A110 V111 N116 Y117 I118 | A110-L114 PolarHBondContact O-N 3.08Å; V111-L114 PolarHBondContact O-N 3.4Å; L114-N116 VanDerWaalsContact C-N 3.3Å; L114-N116 PolarHBondContact O-N 3.23Å; L114-Y117 WeakPolarHBondContact O-CB 3.39Å; L114-Y117 PolarHBondContact O-N 3.28Å; L114-I118 HydrophobicContact CD1-CD1 4.1Å; L114-I118 HydrophobicContact CD1-CG1 4.34Å; L114-I118 HydrophobicContact CG-CD1 4.03Å; L114-I118 WeakPolarHBondContact O-CG1 3.32Å; L114-I118 PolarHBondContact O-N 3.48Å |
| 115 | L | 58.6 | Low | 58.9 | Low | 94 Ų | 94 | 78.1 Ų | 78.1 | 49% | 0.492 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.8 | -41.4 | 177.8 | -71.2 | 171.7 | 0 | 0 | 0 | 111.7 | V111 Q112 I118 N119 | V111-L115 HydrophobicContact CG1-CD1 4.31Å; V111-L115 WeakPolarHBondContact O-CG 3.4Å; V111-L115 PolarHBondContact O-N 3.18Å; Q112-L115 PolarHBondContact O-N 3.15Å; L115-I118 PolarHBondContact O-N 2.91Å; L115-N119 WeakPolarHBondContact O-CB 3.46Å; L115-N119 VanDerWaalsContact O-CG 3.23Å; L115-N119 PolarHBondContact O-N 2.97Å; L115-N119 PolarHBondContact O-ND2 3.21Å; L115-N119 VanDerWaalsContact O-ND2 3.09Å |
| 116 | N | 61.9 | Low | 58 | Low | 95 Ų | 95 | 79.1 Ų | 79.1 | 51% | 0.508 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.6 | -41.3 | 176.1 | -70.6 | -21.8 | 0 | 0 | 0 | 111.9 | Q112 G113 L114 N119 N120 | Q112-N116 WeakPolarHBondContact O-CB 2.96Å; Q112-N116 PolarHBondContact O-N 3.28Å; Q112-N116 PolarHBondContact O-ND2 2.94Å; G113-N116 PolarHBondContact O-N 3.44Å; L114-N116 VanDerWaalsContact C-N 3.3Å; L114-N116 PolarHBondContact O-N 3.23Å; N116-N119 PolarHBondContact O-N 2.91Å; N116-N120 WeakPolarHBondContact O-CB 3.39Å; N116-N120 PolarHBondContact O-N 3.34Å; N116-N120 PolarHBondContact O-ND2 2.93Å |
| 117 | Y | 58.8 | Low | 57.5 | Low | 44 Ų | 44 | 79.5 Ų | 79.5 | 17% | 0.173 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -59.6 | -50 | 174.8 | 175.8 | -97.7 | 0 | 0 | 0 | 111.4 | C89 G113 L114 N119 N120 W121 | C89-Y117 HydrophobicContact CB-CG 4.36Å; G113-Y117 WeakPolarHBondContact O-CB 3.44Å; G113-Y117 PolarHBondContact O-N 3.43Å; L114-Y117 WeakPolarHBondContact O-CB 3.39Å; L114-Y117 PolarHBondContact O-N 3.28Å; Y117-N119 VanDerWaalsContact C-N 3.34Å; Y117-N119 PolarHBondContact O-N 3.04Å; Y117-N120 PolarHBondContact O-N 3.25Å; Y117-W121 HydrophobicContact CE1-CD2 4.26Å; Y117-W121 HydrophobicContact CE1-CE3 4.06Å; Y117-W121 VanDerWaalsContact O-CB 3.25Å; Y117-W121 WeakPolarHBondContact O-CB 3.45Å; Y117-W121 PolarHBondContact O-N 3.42Å |
| 118 | I | 57.3 | Low | 56.8 | Low | 63 Ų | 63 | 80.6 Ų | 80.6 | 32% | 0.323 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -57.8 | -46.9 | 177.3 | -66.8 | 167 | 0 | 0 | 0 | 110.6 | L114 L115 N120 W121 H122 | L114-I118 HydrophobicContact CD1-CD1 4.1Å; L114-I118 HydrophobicContact CD1-CG1 4.34Å; L114-I118 HydrophobicContact CG-CD1 4.03Å; L114-I118 WeakPolarHBondContact O-CG1 3.32Å; L114-I118 PolarHBondContact O-N 3.48Å; L115-I118 PolarHBondContact O-N 2.91Å; I118-N120 VanDerWaalsContact C-N 3.34Å; I118-N120 PolarHBondContact O-N 3.19Å; I118-W121 PolarHBondContact O-N 2.94Å; I118-H122 WeakPolarHBondContact O-CB 3.49Å; I118-H122 PolarHBondContact O-CD2 3.43Å; I118-H122 PolarHBondContact O-N 2.78Å |
| 119 | N | 59.4 | Low | 56.3 | Low | 93 Ų | 93 | 77.2 Ų | 77.2 | 50% | 0.497 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.2 | -38.5 | 179.1 | -72.5 | -31.3 | 0 | 0 | 0 | 112.9 | L115 N116 Y117 N123 | L115-N119 WeakPolarHBondContact O-CB 3.46Å; L115-N119 VanDerWaalsContact O-CG 3.23Å; L115-N119 PolarHBondContact O-N 2.97Å; L115-N119 PolarHBondContact O-ND2 3.21Å; L115-N119 VanDerWaalsContact O-ND2 3.09Å; N116-N119 PolarHBondContact O-N 2.91Å; Y117-N119 VanDerWaalsContact C-N 3.34Å; Y117-N119 PolarHBondContact O-N 3.04Å; N119-N123 PolarHBondContact O-N 3.12Å; N119-N123 PolarHBondContact O-ND2 3.38Å |
| 120 | N | 61.2 | Low | 55.7 | Low | 101 Ų | 101 | 82.3 Ų | 82.3 | 54% | 0.54 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -71.2 | -36.2 | 175.6 | -71.1 | -21.1 | 0 | 0 | 0 | 111.7 | N116 Y117 I118 N123 L124 | N116-N120 WeakPolarHBondContact O-CB 3.39Å; N116-N120 PolarHBondContact O-N 3.34Å; N116-N120 PolarHBondContact O-ND2 2.93Å; Y117-N120 PolarHBondContact O-N 3.25Å; I118-N120 VanDerWaalsContact C-N 3.34Å; I118-N120 PolarHBondContact O-N 3.19Å; N120-N123 WeakPolarHBondContact O-CB 3.29Å; N120-N123 PolarHBondContact O-N 3.25Å; N120-L124 PolarHBondContact O-N 3.28Å |
| 121 | W | 52.6 | Low | 55.3 | Low | 124 Ų | 124 | 84.1 Ų | 84.1 | 47% | 0.47 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -69.4 | -35.5 | 176.9 | -159.8 | 33.4 | 0 | 0 | 0 | 112 | Y117 I118 N123 L124 V125 | Y117-W121 HydrophobicContact CE1-CD2 4.26Å; Y117-W121 HydrophobicContact CE1-CE3 4.06Å; Y117-W121 VanDerWaalsContact O-CB 3.25Å; Y117-W121 WeakPolarHBondContact O-CB 3.45Å; Y117-W121 PolarHBondContact O-N 3.42Å; I118-W121 PolarHBondContact O-N 2.94Å; W121-N123 PolarHBondContact O-N 3.23Å; W121-L124 WeakPolarHBondContact O-CA 3.26Å; W121-L124 WeakPolarHBondContact O-CB 3.38Å; W121-L124 PolarHBondContact O-N 3.46Å; W121-V125 HydrophobicContact CD2-CG2 4.33Å; W121-V125 HydrophobicContact CG-CG2 4.11Å; W121-V125 WeakPolarHBondContact O-CG2 3.37Å; W121-V125 PolarHBondContact O-N 2.88Å |
| 122 | H | 50.9 | Low | 54.9 | Low | 93 Ų | 93 | 84.1 Ų | 84.1 | 43% | 0.431 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -58.1 | -30.2 | 169.2 | -90.3 | -119.1 | 0 | 0 | 0 | 113 | I118 L124 | I118-H122 WeakPolarHBondContact O-CB 3.49Å; I118-H122 PolarHBondContact O-CD2 3.43Å; I118-H122 PolarHBondContact O-N 2.78Å; H122-L124 VanDerWaalsContact C-N 3.29Å |
| 123 | N | 52.3 | Low | 54.4 | Low | 139 Ų | 139 | 83.4 Ų | 83.4 | 74% | 0.743 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -11.6 | 174.2 | -65.3 | -41.1 | 0 | 0 | 0 | 113.2 | N119 N120 W121 | N119-N123 PolarHBondContact O-N 3.12Å; N119-N123 PolarHBondContact O-ND2 3.38Å; N120-N123 WeakPolarHBondContact O-CB 3.29Å; N120-N123 PolarHBondContact O-N 3.25Å; W121-N123 PolarHBondContact O-N 3.23Å |
| 124 | L | 46.4 | Very low | 53.6 | Low | 135 Ų | 135 | 87.1 Ų | 87.1 | 71% | 0.707 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.8 | -25.7 | -174.9 | -75.5 | 161.1 | 0 | 0 | 0 | 113.8 | N120 W121 H122 | N120-L124 PolarHBondContact O-N 3.28Å; W121-L124 WeakPolarHBondContact O-CA 3.26Å; W121-L124 WeakPolarHBondContact O-CB 3.38Å; W121-L124 PolarHBondContact O-N 3.46Å; H122-L124 VanDerWaalsContact C-N 3.29Å |
| 125 | V | 47.5 | Very low | 53.2 | Low | 59 Ų | 59 | 88.5 Ų | 88.5 | 36% | 0.358 | 47% | 0.474 | S | S | . | . | trans | -100.2 | 121.2 | -170.2 | -173.8 | 0 | 0 | 0 | 0 | 113.4 | W121 L129 | W121-V125 HydrophobicContact CD2-CG2 4.33Å; W121-V125 HydrophobicContact CG-CG2 4.11Å; W121-V125 WeakPolarHBondContact O-CG2 3.37Å; W121-V125 PolarHBondContact O-N 2.88Å; V125-L129 HydrophobicContact CB-CD1 3.93Å; V125-L129 HydrophobicContact CG1-CD1 3.48Å; V125-L129 VanDerWaalsContact CG1-CD1 3.48Å; V125-L129 HydrophobicContact CG1-CG 4Å; V125-L129 HydrophobicContact CG2-CD1 4.42Å | ||
| 126 | S | 48.5 | Very low | 52.7 | Low | 90 Ų | 90 | 89.2 Ų | 89.2 | 63% | 0.629 | 48% | 0.475 | S | S | * | . | trans | -50.1 | 174.9 | 172.3 | -122.8 | 0 | 0 | 0 | 0 | 115.9 | A128 | S126-A128 PolarHBondContact O-N 3.46Š| ||
| 127 | P | 52 | Low | 51.9 | Low | 84 Ų | 84 | 89.2 Ų | 89.2 | 55% | 0.545 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -53.5 | -5 | -169.5 | -27 | 33.8 | 0 | 0 | 0 | 119.5 | L129 R130 | P127-L129 VanDerWaalsContact C-N 3.25Å; P127-L129 PolarHBondContact O-N 3.27Å; P127-R130 WeakPolarHBondContact O-CG 3.3Å |
| 128 | A | 49.4 | Very low | 51.5 | Low | 54 Ų | 54 | 91.1 Ų | 91.1 | 45% | 0.446 | 50% | 0.5 | S | S | . | . | G | 310 helix | trans | -72.6 | -11.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114.2 | S126 | S126-A128 PolarHBondContact O-N 3.46Š|
| 129 | L | 51.2 | Low | 51.1 | Low | 59 Ų | 59 | 95.1 Ų | 95.1 | 31% | 0.309 | 52% | 0.522 | S | S | . | . | G | 310 helix | trans | -110.7 | 16.7 | 179.5 | -66.6 | 176 | 0 | 0 | 0 | 113.7 | V125 P127 C131 L132 | V125-L129 HydrophobicContact CB-CD1 3.93Å; V125-L129 HydrophobicContact CG1-CD1 3.48Å; V125-L129 VanDerWaalsContact CG1-CD1 3.48Å; V125-L129 HydrophobicContact CG1-CG 4Å; V125-L129 HydrophobicContact CG2-CD1 4.42Å; P127-L129 VanDerWaalsContact C-N 3.25Å; P127-L129 PolarHBondContact O-N 3.27Å; L129-C131 PolarHBondContact O-N 3.36Å; L129-L132 HydrophobicContact CD2-CD1 4.2Å; L129-L132 PolarHBondContact O-N 2.94Å |
| 130 | R | 55.1 | Low | 50.4 | Low | 170 Ų | 170 | 93.2 Ų | 93.2 | 64% | 0.642 | 51% | 0.511 | S | S | * | . | G | 310 helix | trans | -54.2 | -26.2 | -178.5 | -84.4 | -179.2 | 174.3 | -174.2 | 0.3 | 114.6 | P127 L132 E133 | P127-R130 WeakPolarHBondContact O-CG 3.3Å; R130-L132 PolarHBondContact O-N 3.38Å; R130-E133 WeakPolarHBondContact O-CB 3.37Å; R130-E133 WeakPolarHBondContact O-CG 3.47Å; R130-E133 PolarHBondContact O-N 3.46Å |
| 131 | C | 52.1 | Low | 50.1 | Low | 43 Ų | 43 | 91.5 Ų | 91.5 | 29% | 0.291 | 50% | 0.504 | S | S | . | . | G | 310 helix | trans | -68.7 | -20.3 | 177.2 | 66.6 | 0 | 0 | 0 | 0 | 114 | L129 E133 C148 | L129-C131 PolarHBondContact O-N 3.36Å; C131-E133 VanDerWaalsContact C-N 3.31Å; C131-C148 HydrophobicContact CB-CB 3.86Å; C131-C148 WeakPolarHBondContact CB-SG 3.09Å; C131-C148 WeakPolarHBondContact SG-CB 3.28Å; C131-C148 CovalentContact SG-SG 1.98Å; C131-C148 PolarHBondContact SG-SG 3.48Å |
| 132 | L | 52.4 | Low | 49.7 | Very low | 38 Ų | 38 | 93.2 Ų | 93.2 | 20% | 0.199 | 52% | 0.522 | C | S | . | . | G | 310 helix | trans | -95.1 | 15.5 | 177.8 | -61.1 | 178.5 | 0 | 0 | 0 | 111.7 | L129 R130 L140 | L129-L132 HydrophobicContact CD2-CD1 4.2Å; L129-L132 PolarHBondContact O-N 2.94Å; R130-L132 PolarHBondContact O-N 3.38Å; L132-L140 HydrophobicContact CD2-CD2 3.8Å |
| 133 | E | 52.7 | Low | 49.7 | Very low | 90 Ų | 90 | 96 Ų | 96 | 42% | 0.421 | 54% | 0.535 | S | S | . | . | trans | -63.6 | 149.5 | 178.3 | -83.8 | -176.2 | -177.7 | 0 | 0 | 112.1 | R130 C131 H136 L137 | R130-E133 WeakPolarHBondContact O-CB 3.37Å; R130-E133 WeakPolarHBondContact O-CG 3.47Å; R130-E133 PolarHBondContact O-N 3.46Å; C131-E133 VanDerWaalsContact C-N 3.31Å; E133-H136 PolarHBondContact O-N 2.92Å; E133-L137 PolarHBondContact O-N 2.95Å | ||
| 134 | P | 46.1 | Very low | 49.7 | Very low | 94 Ų | 94 | 93.2 Ų | 93.2 | 61% | 0.61 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -48.2 | -40.3 | -176.5 | -25.7 | 33.3 | 0 | 0 | 0 | 117.4 | H136 L137 | P134-H136 PolarHBondContact O-N 2.89Å; P134-L137 PolarHBondContact O-N 3.14Å |
| 135 | P | 50.2 | Low | 50 | Low | 97 Ų | 97 | 87.9 Ų | 87.9 | 63% | 0.63 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.9 | -15.1 | 178.8 | 25.3 | -33 | 0 | 0 | 0 | 113.7 | ||
| 136 | H | 48.4 | Very low | 50.1 | Low | 108 Ų | 108 | 87.4 Ų | 87.4 | 50% | 0.5 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -97.7 | -18.8 | 176.5 | -63.7 | -65.4 | 0 | 0 | 0 | 113.3 | E133 P134 A138 N139 L140 | E133-H136 PolarHBondContact O-N 2.92Å; P134-H136 PolarHBondContact O-N 2.89Å; H136-A138 VanDerWaalsContact C-N 3.28Å; H136-A138 PolarHBondContact O-N 3.29Å; H136-N139 PolarHBondContact O-N 3.1Å; H136-L140 WeakPolarHBondContact O-CB 3.12Å; H136-L140 PolarHBondContact O-N 3.21Å |
| 137 | L | 45.8 | Very low | 50.4 | Low | 95 Ų | 95 | 89.1 Ų | 89.1 | 50% | 0.497 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68 | -21.6 | 178.4 | -82 | 164.9 | 0 | 0 | 0 | 114.2 | E133 P134 N139 L140 | E133-L137 PolarHBondContact O-N 2.95Å; P134-L137 PolarHBondContact O-N 3.14Å; L137-N139 PolarHBondContact O-N 3.29Å; L137-L140 HydrophobicContact CD2-CD2 4.05Å |
| 138 | A | 50.8 | Low | 50.8 | Low | 85 Ų | 85 | 86.2 Ų | 86.2 | 70% | 0.702 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -22.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | H136 | H136-A138 VanDerWaalsContact C-N 3.28Å; H136-A138 PolarHBondContact O-N 3.29Å |
| 139 | N | 47.9 | Very low | 50.8 | Low | 147 Ų | 147 | 88.9 Ų | 88.9 | 79% | 0.786 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -131.1 | 11.9 | -177.9 | -70.6 | -22.6 | 0 | 0 | 0 | 113 | H136 L137 T141 | H136-N139 PolarHBondContact O-N 3.1Å; L137-N139 PolarHBondContact O-N 3.29Å; N139-T141 PolarHBondContact O-N 3.38Å |
| 140 | L | 45.9 | Very low | 50.9 | Low | 53 Ų | 53 | 94.1 Ų | 94.1 | 28% | 0.277 | 50% | 0.504 | S | S | . | . | trans | -72.2 | 113.1 | -174.9 | -155.9 | 85.1 | 0 | 0 | 0 | 109.8 | L132 H136 L137 D144 A145 | L132-L140 HydrophobicContact CD2-CD2 3.8Å; H136-L140 WeakPolarHBondContact O-CB 3.12Å; H136-L140 PolarHBondContact O-N 3.21Å; L137-L140 HydrophobicContact CD2-CD2 4.05Å; L140-D144 HydrophobicContact CD1-CB 4.11Å; L140-D144 HydrophobicContact CG-CB 4.25Å; L140-A145 HydrophobicContact CD2-CB 3.82Å; L140-A145 HydrophobicContact CG-CB 4.46Å | ||
| 141 | T | 53.5 | Low | 50.7 | Low | 65 Ų | 65 | 93.2 Ų | 93.2 | 40% | 0.399 | 51% | 0.507 | S | S | . | . | trans | -80.6 | 163.1 | 170.2 | 69.9 | 0 | 0 | 0 | 0 | 110.3 | N139 E143 D144 A145 | N139-T141 PolarHBondContact O-N 3.38Å; T141-E143 PolarHBondContact O-N 3.2Å; T141-D144 WeakPolarHBondContact CB-OD2 3.41Å; T141-D144 PolarHBondContact N-OD2 3.03Å; T141-D144 PolarHBondContact O-N 3.22Å; T141-D144 PolarHBondContact OG1-N 2.93Å; T141-D144 PolarHBondContact OG1-OD2 3.42Å; T141-A145 PolarHBondContact O-N 2.99Å; T141-A145 VanDerWaalsContact O-N 3.14Å | ||
| 142 | L | 44.8 | Very low | 50.2 | Low | 159 Ų | 159 | 100.4 Ų | 100.4 | 83% | 0.832 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.1 | -29.8 | 177.8 | -143.1 | 88.7 | 0 | 0 | 0 | 111.9 | A146 | L142-A146 WeakPolarHBondContact O-CB 3.4Å; L142-A146 PolarHBondContact O-N 3.14Å; L142-A146 VanDerWaalsContact O-N 3.14Å |
| 143 | E | 50 | Low | 50.1 | Low | 153 Ų | 153 | 103.5 Ų | 103.5 | 72% | 0.715 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -71.5 | -42.5 | 177.4 | -74.2 | 153.3 | 167.8 | 0 | 0 | 111.1 | T141 A145 A146 E147 | T141-E143 PolarHBondContact O-N 3.2Å; E143-A145 VanDerWaalsContact C-N 3.33Å; E143-A145 PolarHBondContact O-N 3.19Å; E143-A146 PolarHBondContact O-N 2.95Å; E143-E147 WeakPolarHBondContact O-CB 3.44Å; E143-E147 PolarHBondContact O-N 3.42Å |
| 144 | D | 53.1 | Low | 49.9 | Very low | 79 Ų | 79 | 104.2 Ų | 104.2 | 42% | 0.422 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.4 | -40.3 | 175.7 | -58.8 | -46.6 | 0 | 0 | 0 | 112.1 | L140 T141 E147 C148 | L140-D144 HydrophobicContact CD1-CB 4.11Å; L140-D144 HydrophobicContact CG-CB 4.25Å; T141-D144 WeakPolarHBondContact CB-OD2 3.41Å; T141-D144 PolarHBondContact N-OD2 3.03Å; T141-D144 PolarHBondContact O-N 3.22Å; T141-D144 PolarHBondContact OG1-N 2.93Å; T141-D144 PolarHBondContact OG1-OD2 3.42Å; D144-E147 PolarHBondContact O-N 3.01Å; D144-C148 PolarHBondContact O-N 3.34Å |
| 145 | A | 51.9 | Low | 50.2 | Low | 24 Ų | 24 | 104.8 Ų | 104.8 | 20% | 0.198 | 56% | 0.556 | C | S | . | * | H | α-helix | trans | -65.5 | -43.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | L140 T141 E143 E147 C148 L149 | L140-A145 HydrophobicContact CD2-CB 3.82Å; L140-A145 HydrophobicContact CG-CB 4.46Å; T141-A145 PolarHBondContact O-N 2.99Å; T141-A145 VanDerWaalsContact O-N 3.14Å; E143-A145 VanDerWaalsContact C-N 3.33Å; E143-A145 PolarHBondContact O-N 3.19Å; A145-E147 VanDerWaalsContact C-N 3.3Å; A145-E147 PolarHBondContact O-N 3.43Å; A145-C148 PolarHBondContact O-N 3.1Å; A145-L149 WeakPolarHBondContact O-CG 3.49Å; A145-L149 PolarHBondContact O-N 3.14Å |
| 146 | A | 50.8 | Low | 50.2 | Low | 48 Ų | 48 | 105.2 Ų | 105.2 | 40% | 0.397 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.1 | -32 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L142 E143 K150 | L142-A146 WeakPolarHBondContact O-CB 3.4Å; L142-A146 PolarHBondContact O-N 3.14Å; L142-A146 VanDerWaalsContact O-N 3.14Å; E143-A146 PolarHBondContact O-N 2.95Å; A146-K150 WeakPolarHBondContact O-CG 3.44Å; A146-K150 PolarHBondContact O-N 3.46Å |
| 147 | E | 55.2 | Low | 50.3 | Low | 127 Ų | 127 | 105.1 Ų | 105.1 | 59% | 0.593 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -77 | -36.3 | 178.5 | -164.4 | 144.8 | -169.9 | 0 | 0 | 112.5 | E143 D144 A145 L149 K150 | E143-E147 WeakPolarHBondContact O-CB 3.44Å; E143-E147 PolarHBondContact O-N 3.42Å; D144-E147 PolarHBondContact O-N 3.01Å; A145-E147 VanDerWaalsContact C-N 3.3Å; A145-E147 PolarHBondContact O-N 3.43Å; E147-L149 VanDerWaalsContact C-N 3.35Å; E147-L149 PolarHBondContact O-N 3.24Å; E147-K150 PolarHBondContact O-N 3.42Å |
| 148 | C | 58.5 | Low | 50.6 | Low | 23 Ų | 23 | 105.7 Ų | 105.7 | 16% | 0.155 | 56% | 0.559 | C | S | . | * | H | α-helix | trans | -63.3 | -42.3 | 171.5 | -176.5 | 0 | 0 | 0 | 0 | 112.2 | C131 D144 A145 K150 Q151 | C131-C148 HydrophobicContact CB-CB 3.86Å; C131-C148 WeakPolarHBondContact CB-SG 3.09Å; C131-C148 WeakPolarHBondContact SG-CB 3.28Å; C131-C148 CovalentContact SG-SG 1.98Å; C131-C148 PolarHBondContact SG-SG 3.48Å; D144-C148 PolarHBondContact O-N 3.34Å; A145-C148 PolarHBondContact O-N 3.1Å; C148-K150 PolarHBondContact O-N 3.37Å; C148-K150 VanDerWaalsContact O-N 3.13Å; C148-Q151 PolarHBondContact O-N 3.28Å; C148-Q151 VanDerWaalsContact O-N 3.14Å |
| 149 | L | 51.2 | Low | 50.6 | Low | 110 Ų | 110 | 107.2 Ų | 107.2 | 58% | 0.576 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -13 | 179.3 | -70.3 | 168.7 | 0 | 0 | 0 | 113.8 | A145 E147 | A145-L149 WeakPolarHBondContact O-CG 3.49Å; A145-L149 PolarHBondContact O-N 3.14Å; E147-L149 VanDerWaalsContact C-N 3.35Å; E147-L149 PolarHBondContact O-N 3.24Å |
| 150 | K | 53.2 | Low | 50.8 | Low | 169 Ų | 169 | 104.2 Ų | 104.2 | 74% | 0.735 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -12.1 | 175.2 | -77.5 | 175.5 | -178 | 174.9 | 0 | 114.2 | A146 E147 C148 H152 | A146-K150 WeakPolarHBondContact O-CG 3.44Å; A146-K150 PolarHBondContact O-N 3.46Å; E147-K150 PolarHBondContact O-N 3.42Å; C148-K150 PolarHBondContact O-N 3.37Å; C148-K150 VanDerWaalsContact O-N 3.13Å; K150-H152 PolarHBondContact O-N 3.26Å |
| 151 | Q | 50.4 | Low | 51.2 | Low | 151 Ų | 151 | 108.4 Ų | 108.4 | 71% | 0.706 | 55% | 0.552 | S | S | * | * | trans | -82.6 | 2 | -177.9 | -65.4 | -172.8 | 1.9 | 0 | 0 | 113.4 | C148 | C148-Q151 PolarHBondContact O-N 3.28Å; C148-Q151 VanDerWaalsContact O-N 3.14Å | ||
| 152 | H | 41.3 | Very low | 50.9 | Low | 193 Ų | 193 | 112.4 Ų | 112.4 | 89% | 0.894 | 57% | 0.566 | S | S | * | * | trans | -140.8 | 0 | 175.1 | -68.3 | -43.7 | 0 | 0 | 0 | 110.5 | K150 | K150-H152 PolarHBondContact O-N 3.26Š|
Retrieved 152 of 152 residues in 120.9 ms
(Link to these results)