| 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 | 41.5 | Very low | 74.9 | Confident | 242 Ų | 242 | 115.9 Ų | 115.9 | 100% | 1.192 | 64% | 0.635 | S | S | * | * | 0 | 118 | 0 | -63.7 | 177.2 | 179.9 | 0 | 0 | 106.7 | V3 | M1-V3 PolarHBondContact O-N 3.28Š| |||
| 2 | A | 48.5 | Very low | 76.5 | Confident | 99 Ų | 99 | 116.1 Ų | 116.1 | 82% | 0.818 | 63% | 0.625 | S | S | * | * | trans | -71.6 | 115.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | Q4 | A2-Q4 PolarHBondContact O-N 3.1Å; A2-Q4 VanDerWaalsContact O-N 3.11Å | ||
| 3 | V | 61.9 | Low | 77.9 | Confident | 131 Ų | 131 | 116.2 Ų | 116.2 | 79% | 0.794 | 62% | 0.619 | S | S | * | * | trans | -66.2 | 108.9 | 172.9 | 175.3 | 0 | 0 | 0 | 0 | 106.7 | M1 V5 | M1-V3 PolarHBondContact O-N 3.28Å; V3-V5 PolarHBondContact O-N 3.5Å | ||
| 4 | Q | 62.7 | Low | 79.1 | Confident | 174 Ų | 174 | 117.1 Ų | 117.1 | 81% | 0.813 | 62% | 0.615 | S | S | * | * | trans | -71.9 | 111.5 | 170.1 | -73.3 | -166.6 | -18 | 0 | 0 | 107.9 | A2 T6 | A2-Q4 PolarHBondContact O-N 3.1Å; A2-Q4 VanDerWaalsContact O-N 3.11Å; Q4-T6 PolarHBondContact O-N 2.92Å | ||
| 5 | V | 74 | Confident | 80.2 | Confident | 77 Ų | 77 | 120.1 Ų | 120.1 | 47% | 0.467 | 62% | 0.621 | S | S | . | * | trans | -65.4 | 115.5 | 170.3 | -174.5 | 0 | 0 | 0 | 0 | 106.8 | V3 D9 Q10 | V3-V5 PolarHBondContact O-N 3.5Å; V5-D9 HydrophobicContact CG1-CB 3.97Å; V5-Q10 HydrophobicContact CG1-CG 3.68Å | ||
| 6 | T | 85.5 | Confident | 81.2 | Confident | 63 Ų | 63 | 121 Ų | 121 | 39% | 0.387 | 62% | 0.621 | S | S | . | * | trans | -71.9 | 152.8 | 179.8 | 73.2 | 0 | 0 | 0 | 0 | 109.8 | Q4 S8 D9 Q10 | Q4-T6 PolarHBondContact O-N 2.92Å; T6-S8 PolarHBondContact O-N 3.13Å; T6-S8 VanDerWaalsContact O-N 3.13Å; T6-S8 PolarHBondContact OG1-OG 3.29Å; T6-D9 WeakPolarHBondContact CB-OD2 3.45Å; T6-D9 PolarHBondContact N-OD2 3.11Å; T6-D9 WeakPolarHBondContact O-CA 3.39Å; T6-D9 WeakPolarHBondContact O-CB 3.24Å; T6-D9 PolarHBondContact O-N 3.39Å; T6-D9 PolarHBondContact OG1-N 3.4Å; T6-D9 PolarHBondContact OG1-OD2 2.96Å; T6-Q10 PolarHBondContact O-N 3.34Å; T6-Q10 VanDerWaalsContact O-N 3.12Å | ||
| 7 | E | 85.9 | Confident | 82 | Confident | 150 Ų | 150 | 121 Ų | 121 | 70% | 0.701 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -52.6 | -35.9 | 174.2 | -171.3 | 179.8 | 94.8 | 0 | 0 | 111.3 | D9 Q10 I11 | E7-D9 VanDerWaalsContact C-N 3.33Å; E7-D9 PolarHBondContact O-N 3.36Å; E7-Q10 PolarHBondContact O-N 3.47Å; E7-I11 HydrophobicContact CG-CD1 4.39Å; E7-I11 WeakPolarHBondContact O-CG1 3.41Å; E7-I11 PolarHBondContact O-N 2.83Å |
| 8 | S | 88.5 | Confident | 82.9 | Confident | 60 Ų | 60 | 118.4 Ų | 118.4 | 42% | 0.42 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64.4 | -33.3 | 175.6 | 80.7 | 0 | 0 | 0 | 0 | 113.6 | T6 K12 | T6-S8 PolarHBondContact O-N 3.13Å; T6-S8 VanDerWaalsContact O-N 3.13Å; T6-S8 PolarHBondContact OG1-OG 3.29Å; S8-K12 VanDerWaalsContact O-CG 3.28Å; S8-K12 WeakPolarHBondContact O-CG 3.37Å; S8-K12 PolarHBondContact O-N 3.31Å |
| 9 | D | 91.3 | Very high | 83.6 | Confident | 57 Ų | 57 | 114.4 Ų | 114.4 | 31% | 0.305 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -76.4 | -34.4 | 177.3 | -61.7 | -44.9 | 0 | 0 | 0 | 111.5 | V5 T6 E7 K12 Q13 | V5-D9 HydrophobicContact CG1-CB 3.97Å; T6-D9 WeakPolarHBondContact CB-OD2 3.45Å; T6-D9 PolarHBondContact N-OD2 3.11Å; T6-D9 WeakPolarHBondContact O-CA 3.39Å; T6-D9 WeakPolarHBondContact O-CB 3.24Å; T6-D9 PolarHBondContact O-N 3.39Å; T6-D9 PolarHBondContact OG1-N 3.4Å; T6-D9 PolarHBondContact OG1-OD2 2.96Å; E7-D9 VanDerWaalsContact C-N 3.33Å; E7-D9 PolarHBondContact O-N 3.36Å; D9-K12 PolarHBondContact O-N 3.29Å; D9-K12 IonicContact OD1-NZ 3.46Å; D9-K12 PolarHBondContact OD1-NZ 3.14Å; D9-Q13 WeakPolarHBondContact O-CG 3.42Å; D9-Q13 PolarHBondContact O-N 3.12Å |
| 10 | Q | 90.8 | Very high | 84.3 | Confident | 114 Ų | 114 | 111.9 Ų | 111.9 | 53% | 0.533 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63 | -43.9 | 172.6 | -63.7 | -179.8 | -39.4 | 0 | 0 | 111.4 | V5 T6 E7 K12 Q13 F14 | V5-Q10 HydrophobicContact CG1-CG 3.68Å; T6-Q10 PolarHBondContact O-N 3.34Å; T6-Q10 VanDerWaalsContact O-N 3.12Å; E7-Q10 PolarHBondContact O-N 3.47Å; Q10-K12 VanDerWaalsContact C-N 3.33Å; Q10-K12 PolarHBondContact O-N 2.86Å; Q10-Q13 PolarHBondContact O-N 3.01Å; Q10-F14 PolarHBondContact O-N 3.26Å |
| 11 | I | 93.2 | Very high | 84.9 | Confident | 108 Ų | 108 | 112.7 Ų | 112.7 | 55% | 0.554 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -62.1 | -42 | 176.9 | -67.5 | 167.8 | 0 | 0 | 0 | 110.9 | E7 F14 K15 | E7-I11 HydrophobicContact CG-CD1 4.39Å; E7-I11 WeakPolarHBondContact O-CG1 3.41Å; E7-I11 PolarHBondContact O-N 2.83Å; I11-F14 PolarHBondContact O-N 3.43Å; I11-K15 WeakPolarHBondContact O-CB 2.88Å; I11-K15 PolarHBondContact O-N 3.18Å |
| 12 | K | 94.1 | Very high | 87.6 | Confident | 118 Ų | 118 | 106 Ų | 106 | 51% | 0.513 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -62 | -49.3 | 176.3 | -72.6 | 169.2 | -166.6 | 163.8 | 0 | 111.6 | S8 D9 Q10 F14 K15 E16 | S8-K12 VanDerWaalsContact O-CG 3.28Å; S8-K12 WeakPolarHBondContact O-CG 3.37Å; S8-K12 PolarHBondContact O-N 3.31Å; D9-K12 PolarHBondContact O-N 3.29Å; D9-K12 IonicContact OD1-NZ 3.46Å; D9-K12 PolarHBondContact OD1-NZ 3.14Å; Q10-K12 VanDerWaalsContact C-N 3.33Å; Q10-K12 PolarHBondContact O-N 2.86Å; K12-F14 VanDerWaalsContact C-N 3.28Å; K12-F14 PolarHBondContact O-N 3.31Å; K12-K15 WeakPolarHBondContact O-CB 3.28Å; K12-K15 PolarHBondContact O-N 3.33Å; K12-K15 VanDerWaalsContact O-N 3.11Å; K12-E16 PolarHBondContact O-N 3.01Å |
| 13 | Q | 94.3 | Very high | 89.9 | Confident | 118 Ų | 118 | 105.8 Ų | 105.8 | 55% | 0.551 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -57.9 | -42 | 178.2 | -74.2 | 178.5 | 6.9 | 0 | 0 | 111.8 | D9 Q10 E16 F17 | D9-Q13 WeakPolarHBondContact O-CG 3.42Å; D9-Q13 PolarHBondContact O-N 3.12Å; Q10-Q13 PolarHBondContact O-N 3.01Å; Q13-E16 PolarHBondContact O-N 3.22Å; Q13-F17 WeakPolarHBondContact O-CB 3.35Å; Q13-F17 PolarHBondContact O-N 3.36Å |
| 14 | F | 94.7 | Very high | 91.6 | Very high | 128 Ų | 128 | 100.1 Ų | 100.1 | 56% | 0.561 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.5 | -40.3 | 177.4 | -167 | -106.4 | 0 | 0 | 0 | 112.2 | Q10 I11 K12 F17 L18 | Q10-F14 PolarHBondContact O-N 3.26Å; I11-F14 PolarHBondContact O-N 3.43Å; K12-F14 VanDerWaalsContact C-N 3.28Å; K12-F14 PolarHBondContact O-N 3.31Å; F14-F17 WeakPolarHBondContact O-CB 3.31Å; F14-F17 PolarHBondContact O-N 3.15Å; F14-L18 HydrophobicContact CD1-CD1 3.91Å; F14-L18 HydrophobicContact CD1-CG 4.29Å; F14-L18 HydrophobicContact CE1-CD1 3.58Å; F14-L18 HydrophobicContact CE1-CD2 4.39Å; F14-L18 HydrophobicContact CE1-CG 4.03Å; F14-L18 HydrophobicContact CZ-CD1 4.32Å; F14-L18 HydrophobicContact CZ-CD2 4.33Å; F14-L18 HydrophobicContact CZ-CG 4.38Å; F14-L18 WeakPolarHBondContact O-CG 3.48Å; F14-L18 PolarHBondContact O-N 2.95Å |
| 15 | K | 96.3 | Very high | 93.3 | Very high | 163 Ų | 163 | 95 Ų | 95 | 71% | 0.709 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -63.3 | -42.5 | 175.5 | -172.4 | 176.6 | 179.9 | -179.9 | 0 | 112 | I11 K12 F17 L18 G19 | I11-K15 WeakPolarHBondContact O-CB 2.88Å; I11-K15 PolarHBondContact O-N 3.18Å; K12-K15 WeakPolarHBondContact O-CB 3.28Å; K12-K15 PolarHBondContact O-N 3.33Å; K12-K15 VanDerWaalsContact O-N 3.11Å; K15-F17 VanDerWaalsContact C-N 3.35Å; K15-L18 PolarHBondContact O-N 3.44Å; K15-G19 PolarHBondContact O-N 3.46Å |
| 16 | E | 95.3 | Very high | 94.4 | Very high | 134 Ų | 134 | 95.9 Ų | 95.9 | 63% | 0.626 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -64.6 | -39.6 | 175.2 | -72.3 | -178.5 | 110.2 | 0 | 0 | 112.1 | K12 Q13 G19 T20 | K12-E16 PolarHBondContact O-N 3.01Å; Q13-E16 PolarHBondContact O-N 3.22Å; E16-G19 PolarHBondContact O-N 3.17Å; E16-T20 WeakPolarHBondContact O-CB 3.38Å; E16-T20 PolarHBondContact O-N 3.06Å; E16-T20 PolarHBondContact O-OG1 3.32Å |
| 17 | F | 96.1 | Very high | 95 | Very high | 121 Ų | 121 | 95.4 Ų | 95.4 | 53% | 0.531 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.1 | -50 | 173.8 | 170.7 | -99.7 | 0 | 0 | 0 | 111.5 | Q13 F14 K15 G19 T20 Y21 | Q13-F17 WeakPolarHBondContact O-CB 3.35Å; Q13-F17 PolarHBondContact O-N 3.36Å; F14-F17 WeakPolarHBondContact O-CB 3.31Å; F14-F17 PolarHBondContact O-N 3.15Å; K15-F17 VanDerWaalsContact C-N 3.35Å; F17-G19 VanDerWaalsContact C-N 3.31Å; F17-G19 PolarHBondContact O-N 2.63Å; F17-T20 PolarHBondContact O-N 3.46Å; F17-Y21 WeakPolarHBondContact O-CB 3.43Å; F17-Y21 PolarHBondContact O-N 3.42Å |
| 18 | L | 97.1 | Very high | 95.6 | Very high | 74 Ų | 74 | 88.8 Ų | 88.8 | 39% | 0.387 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.3 | -38.8 | 178 | -69.2 | 178.8 | 0 | 0 | 0 | 112.2 | F14 K15 T20 Y21 N22 | F14-L18 HydrophobicContact CD1-CD1 3.91Å; F14-L18 HydrophobicContact CD1-CG 4.29Å; F14-L18 HydrophobicContact CE1-CD1 3.58Å; F14-L18 HydrophobicContact CE1-CD2 4.39Å; F14-L18 HydrophobicContact CE1-CG 4.03Å; F14-L18 HydrophobicContact CZ-CD1 4.32Å; F14-L18 HydrophobicContact CZ-CD2 4.33Å; F14-L18 HydrophobicContact CZ-CG 4.38Å; F14-L18 WeakPolarHBondContact O-CG 3.48Å; F14-L18 PolarHBondContact O-N 2.95Å; K15-L18 PolarHBondContact O-N 3.44Å; L18-T20 VanDerWaalsContact C-N 3.35Å; L18-Y21 PolarHBondContact O-N 2.87Å; L18-N22 PolarHBondContact O-N 2.95Å; L18-N22 PolarHBondContact O-ND2 3.37Å |
| 19 | G | 97.5 | Very high | 96.1 | Very high | 42 Ų | 42 | 90.8 Ų | 90.8 | 43% | 0.433 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -59.9 | -45.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | K15 E16 F17 N22 K23 | K15-G19 PolarHBondContact O-N 3.46Å; E16-G19 PolarHBondContact O-N 3.17Å; F17-G19 VanDerWaalsContact C-N 3.31Å; F17-G19 PolarHBondContact O-N 2.63Å; G19-N22 PolarHBondContact O-N 3.41Å; G19-K23 PolarHBondContact O-N 2.79Å |
| 20 | T | 96.3 | Very high | 96.4 | Very high | 65 Ų | 65 | 94.6 Ų | 94.6 | 40% | 0.399 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.5 | -40.9 | 177.7 | -55.1 | 0 | 0 | 0 | 0 | 111.8 | E16 F17 L18 N22 K23 V24 Y56 | E16-T20 WeakPolarHBondContact O-CB 3.38Å; E16-T20 PolarHBondContact O-N 3.06Å; E16-T20 PolarHBondContact O-OG1 3.32Å; F17-T20 PolarHBondContact O-N 3.46Å; L18-T20 VanDerWaalsContact C-N 3.35Å; T20-N22 PolarHBondContact O-N 3.3Å; T20-K23 PolarHBondContact O-N 3Å; T20-V24 WeakPolarHBondContact O-CG1 3.29Å; T20-V24 PolarHBondContact O-N 2.96Å; T20-Y56 HydrophobicContact CG2-CE1 4.14Å |
| 21 | Y | 97.4 | Very high | 96.7 | Very high | 129 Ų | 129 | 95.1 Ų | 95.1 | 51% | 0.506 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -57.8 | -47.9 | 175.8 | 173.3 | -94.5 | 0 | 0 | 0 | 111.4 | F17 L18 K23 V24 T25 | F17-Y21 WeakPolarHBondContact O-CB 3.43Å; F17-Y21 PolarHBondContact O-N 3.42Å; L18-Y21 PolarHBondContact O-N 2.87Å; Y21-K23 VanDerWaalsContact C-N 3.33Å; Y21-K23 PolarHBondContact O-N 3.06Å; Y21-V24 WeakPolarHBondContact O-CG1 3.33Å; Y21-T25 VanDerWaalsContact O-CB 3.31Å; Y21-T25 WeakPolarHBondContact O-CB 3.47Å; Y21-T25 PolarHBondContact O-N 2.7Å; Y21-T25 PolarHBondContact O-OG1 3.25Å |
| 22 | N | 97.9 | Very high | 97 | Very high | 101 Ų | 101 | 90.1 Ų | 90.1 | 54% | 0.54 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64 | -41.2 | 177.8 | -70.5 | -19.3 | 0 | 0 | 0 | 111.3 | L18 G19 T20 T25 E26 | L18-N22 PolarHBondContact O-N 2.95Å; L18-N22 PolarHBondContact O-ND2 3.37Å; G19-N22 PolarHBondContact O-N 3.41Å; T20-N22 PolarHBondContact O-N 3.3Å; N22-T25 PolarHBondContact O-N 3.13Å; N22-E26 WeakPolarHBondContact O-CB 3.37Å; N22-E26 PolarHBondContact O-N 3.11Å |
| 23 | K | 97.5 | Very high | 97.1 | Very high | 94 Ų | 94 | 86 Ų | 86 | 41% | 0.409 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.4 | -45.1 | -179.8 | -171.2 | 70 | -151.5 | 154 | 0 | 112.8 | G19 T20 Y21 E26 N27 | G19-K23 PolarHBondContact O-N 2.79Å; T20-K23 PolarHBondContact O-N 3Å; Y21-K23 VanDerWaalsContact C-N 3.33Å; Y21-K23 PolarHBondContact O-N 3.06Å; K23-E26 IonicContact NZ-OE2 2.79Å; K23-E26 PolarHBondContact NZ-OE2 3.07Å; K23-N27 WeakPolarHBondContact CE-OD1 3.28Å; K23-N27 PolarHBondContact NZ-OD1 3.48Å; K23-N27 VanDerWaalsContact O-CG 3.28Å; K23-N27 PolarHBondContact O-N 3.36Å; K23-N27 VanDerWaalsContact O-N 3.07Å; K23-N27 PolarHBondContact O-OD1 3.37Å |
| 24 | V | 97.8 | Very high | 97.2 | Very high | 12 Ų | 12 | 87.7 Ų | 87.7 | 7% | 0.073 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -69.6 | -37.4 | 179 | 70.5 | 0 | 0 | 0 | 0 | 111.2 | T20 Y21 N27 C28 L53 Y56 | T20-V24 WeakPolarHBondContact O-CG1 3.29Å; T20-V24 PolarHBondContact O-N 2.96Å; Y21-V24 WeakPolarHBondContact O-CG1 3.33Å; V24-N27 PolarHBondContact O-N 2.98Å; V24-C28 WeakPolarHBondContact O-CB 3.49Å; V24-C28 PolarHBondContact O-N 3.31Å; V24-C28 PolarHBondContact O-SG 3.45Å; V24-C28 VanDerWaalsContact O-SG 3.36Å; V24-L53 HydrophobicContact CG1-CD1 4.18Å; V24-L53 HydrophobicContact CG2-CD1 3.83Å; V24-Y56 HydrophobicContact CB-CD1 3.97Å; V24-Y56 HydrophobicContact CB-CE1 4Å; V24-Y56 HydrophobicContact CB-CG 4.33Å; V24-Y56 HydrophobicContact CG2-CD1 3.55Å; V24-Y56 HydrophobicContact CG2-CD2 4.17Å; V24-Y56 HydrophobicContact CG2-CE1 4.11Å; V24-Y56 HydrophobicContact CG2-CG 3.59Å |
| 25 | T | 97.8 | Very high | 97.2 | Very high | 66 Ų | 66 | 84 Ų | 84 | 41% | 0.405 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -59.8 | -48.7 | 175.4 | -57.9 | 0 | 0 | 0 | 0 | 111.1 | Y21 N22 F29 | Y21-T25 VanDerWaalsContact O-CB 3.31Å; Y21-T25 WeakPolarHBondContact O-CB 3.47Å; Y21-T25 PolarHBondContact O-N 2.7Å; Y21-T25 PolarHBondContact O-OG1 3.25Å; N22-T25 PolarHBondContact O-N 3.13Å; T25-F29 VanDerWaalsContact O-CB 3.29Å; T25-F29 WeakPolarHBondContact O-CB 3.33Å; T25-F29 PolarHBondContact O-N 2.99Å |
| 26 | E | 98.2 | Very high | 97.2 | Very high | 97 Ų | 97 | 83.3 Ų | 83.3 | 45% | 0.453 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -58.8 | -51 | 176.7 | 179.8 | -174.1 | -136.4 | 0 | 0 | 111.6 | N22 K23 C28 F29 M30 | N22-E26 WeakPolarHBondContact O-CB 3.37Å; N22-E26 PolarHBondContact O-N 3.11Å; K23-E26 IonicContact NZ-OE2 2.79Å; K23-E26 PolarHBondContact NZ-OE2 3.07Å; E26-C28 PolarHBondContact O-N 3.43Å; E26-F29 PolarHBondContact O-N 3.46Å; E26-M30 VanDerWaalsContact O-CG 3.32Å; E26-M30 WeakPolarHBondContact O-CG 3.39Å; E26-M30 PolarHBondContact O-N 3.36Å |
| 27 | N | 97.8 | Very high | 97.3 | Very high | 53 Ų | 53 | 82.1 Ų | 82.1 | 28% | 0.283 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.2 | -47.9 | -178.3 | -72.1 | -3.8 | 0 | 0 | 0 | 111.7 | K23 V24 F29 M30 D31 | K23-N27 WeakPolarHBondContact CE-OD1 3.28Å; K23-N27 PolarHBondContact NZ-OD1 3.48Å; K23-N27 VanDerWaalsContact O-CG 3.28Å; K23-N27 PolarHBondContact O-N 3.36Å; K23-N27 VanDerWaalsContact O-N 3.07Å; K23-N27 PolarHBondContact O-OD1 3.37Å; V24-N27 PolarHBondContact O-N 2.98Å; N27-F29 VanDerWaalsContact C-N 3.32Å; N27-F29 PolarHBondContact O-N 2.97Å; N27-M30 PolarHBondContact O-N 3.12Å; N27-D31 WeakPolarHBondContact O-CB 3.32Å; N27-D31 PolarHBondContact O-N 3.4Å |
| 28 | C | 98.4 | Very high | 97.2 | Very high | 11 Ų | 11 | 79.5 Ų | 79.5 | 7% | 0.074 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -68.5 | -32.5 | -179 | -65.8 | 0 | 0 | 0 | 0 | 112.4 | V24 E26 C32 C52 | V24-C28 WeakPolarHBondContact O-CB 3.49Å; V24-C28 PolarHBondContact O-N 3.31Å; V24-C28 PolarHBondContact O-SG 3.45Å; V24-C28 VanDerWaalsContact O-SG 3.36Å; E26-C28 PolarHBondContact O-N 3.43Å; C28-C32 WeakPolarHBondContact O-CB 3.47Å; C28-C32 PolarHBondContact O-N 3.22Å; C28-C52 WeakPolarHBondContact CA-SG 3.31Å; C28-C52 HydrophobicContact CB-CB 3.81Å; C28-C52 WeakPolarHBondContact CB-SG 3.34Å; C28-C52 WeakPolarHBondContact SG-CB 3.37Å; C28-C52 CovalentContact SG-SG 2.05Å; C28-C52 PolarHBondContact SG-SG 2.97Å |
| 29 | F | 98.1 | Very high | 97.2 | Very high | 101 Ų | 101 | 88.1 Ų | 88.1 | 44% | 0.443 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63 | -49.9 | 172.1 | -179.3 | -92.2 | 0 | 0 | 0 | 111.1 | T25 E26 N27 D31 C32 V33 F36 | T25-F29 VanDerWaalsContact O-CB 3.29Å; T25-F29 WeakPolarHBondContact O-CB 3.33Å; T25-F29 PolarHBondContact O-N 2.99Å; E26-F29 PolarHBondContact O-N 3.46Å; N27-F29 VanDerWaalsContact C-N 3.32Å; N27-F29 PolarHBondContact O-N 2.97Å; F29-D31 VanDerWaalsContact C-N 3.31Å; F29-D31 PolarHBondContact O-N 2.88Å; F29-C32 PolarHBondContact O-N 3.24Å; F29-V33 HydrophobicContact CD2-CB 3.84Å; F29-V33 HydrophobicContact CD2-CG1 4.31Å; F29-V33 HydrophobicContact CD2-CG2 3.57Å; F29-V33 HydrophobicContact CE2-CB 3.76Å; F29-V33 HydrophobicContact CE2-CG1 3.73Å; F29-V33 HydrophobicContact CE2-CG2 3.83Å; F29-V33 HydrophobicContact CG-CB 4.35Å; F29-V33 HydrophobicContact CG-CG2 4.28Å; F29-V33 HydrophobicContact CZ-CB 4.2Å; F29-V33 HydrophobicContact CZ-CG1 4.06Å; F29-V33 WeakPolarHBondContact O-CB 3.49Å; F29-V33 PolarHBondContact O-N 3.06Å; F29-F36 HydrophobicContact CZ-CE1 4.17Å |
| 30 | M | 97.7 | Very high | 97.1 | Very high | 137 Ų | 137 | 92.2 Ų | 92.2 | 68% | 0.675 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -63.5 | -34.4 | -179.1 | -68.6 | -64.1 | -175.3 | 0 | 0 | 113.2 | E26 N27 | E26-M30 VanDerWaalsContact O-CG 3.32Å; E26-M30 WeakPolarHBondContact O-CG 3.39Å; E26-M30 PolarHBondContact O-N 3.36Å; N27-M30 PolarHBondContact O-N 3.12Å |
| 31 | D | 97.8 | Very high | 97 | Very high | 125 Ų | 125 | 93.8 Ų | 93.8 | 67% | 0.668 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -82.7 | -31.4 | -178.7 | -71.6 | -20.5 | 0 | 0 | 0 | 113.2 | N27 F29 | N27-D31 WeakPolarHBondContact O-CB 3.32Å; N27-D31 PolarHBondContact O-N 3.4Å; F29-D31 VanDerWaalsContact C-N 3.31Å; F29-D31 PolarHBondContact O-N 2.88Å |
| 32 | C | 98.3 | Very high | 97 | Very high | 4 Ų | 4 | 90.9 Ų | 90.9 | 3% | 0.027 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -110.5 | -35 | -169.6 | -67 | 0 | 0 | 0 | 0 | 115.1 | C28 F29 K34 E45 C48 S49 | C28-C32 WeakPolarHBondContact O-CB 3.47Å; C28-C32 PolarHBondContact O-N 3.22Å; F29-C32 PolarHBondContact O-N 3.24Å; C32-K34 PolarHBondContact O-N 3.33Å; C32-E45 WeakPolarHBondContact O-CG 3.33Å; C32-C48 VanDerWaalsContact CA-SG 3.52Å; C32-C48 HydrophobicContact CB-CB 3.6Å; C32-C48 WeakPolarHBondContact CB-SG 3.46Å; C32-C48 WeakPolarHBondContact SG-CB 3.49Å; C32-C48 PolarHBondContact SG-O 3.45Å; C32-C48 VanDerWaalsContact SG-O 3.37Å; C32-C48 CovalentContact SG-SG 2.05Å; C32-C48 PolarHBondContact SG-SG 3.2Å; C32-S49 PolarHBondContact SG-N 2.88Å; C32-S49 VanDerWaalsContact SG-N 3.42Å |
| 33 | V | 97.4 | Very high | 96.9 | Very high | 31 Ų | 31 | 91.4 Ų | 91.4 | 19% | 0.188 | 46% | 0.458 | C | S | . | . | trans | -88.1 | 103.1 | -177.4 | -175.7 | 0 | 0 | 0 | 0 | 108.7 | F29 F36 E45 | F29-V33 HydrophobicContact CD2-CB 3.84Å; F29-V33 HydrophobicContact CD2-CG1 4.31Å; F29-V33 HydrophobicContact CD2-CG2 3.57Å; F29-V33 HydrophobicContact CE2-CB 3.76Å; F29-V33 HydrophobicContact CE2-CG1 3.73Å; F29-V33 HydrophobicContact CE2-CG2 3.83Å; F29-V33 HydrophobicContact CG-CB 4.35Å; F29-V33 HydrophobicContact CG-CG2 4.28Å; F29-V33 HydrophobicContact CZ-CB 4.2Å; F29-V33 HydrophobicContact CZ-CG1 4.06Å; F29-V33 WeakPolarHBondContact O-CB 3.49Å; F29-V33 PolarHBondContact O-N 3.06Å; V33-F36 HydrophobicContact CG1-CE1 4.08Å; V33-F36 HydrophobicContact CG1-CZ 4.21Å; V33-E45 WeakPolarHBondContact CA-OE1 3.49Å | ||
| 34 | K | 95.8 | Very high | 96.9 | Very high | 154 Ų | 154 | 93.8 Ų | 93.8 | 67% | 0.67 | 47% | 0.471 | S | S | * | . | trans | -125 | -16 | -170.8 | 63.2 | -176.3 | 177.6 | -177.1 | 0 | 112.7 | C32 E45 | C32-K34 PolarHBondContact O-N 3.33Å; K34-E45 PolarHBondContact N-OE1 2.99Å | ||
| 35 | D | 94.9 | Very high | 96.9 | Very high | 49 Ų | 49 | 93.5 Ų | 93.5 | 26% | 0.262 | 47% | 0.469 | S | S | . | . | trans | -108.5 | 111.2 | -178.1 | -164.3 | -35.8 | 0 | 0 | 0 | 111.1 | T37 K42 E45 | D35-T37 VanDerWaalsContact OD1-CB 3.26Å; D35-T37 WeakPolarHBondContact OD1-CB 3.33Å; D35-T37 VanDerWaalsContact OD1-CG2 3.3Å; D35-T37 WeakPolarHBondContact OD1-CG2 3.34Å; D35-T37 PolarHBondContact OD1-N 2.92Å; D35-T37 PolarHBondContact OD1-OG1 3.41Å; D35-K42 HydrophobicContact CB-CD 4.2Å; D35-K42 IonicContact OD1-NZ 3.6Å; D35-K42 WeakPolarHBondContact OD2-CE 3.42Å; D35-K42 IonicContact OD2-NZ 2.6Å; D35-K42 PolarHBondContact OD2-NZ 2.91Å; D35-E45 PolarHBondContact N-OE1 3.4Å | ||
| 36 | F | 96.4 | Very high | 96.8 | Very high | 150 Ų | 150 | 92.6 Ų | 92.6 | 66% | 0.658 | 47% | 0.465 | S | S | * | . | trans | -104.6 | 21.3 | -178.9 | -58.6 | -82.9 | 0 | 0 | 0 | 112.7 | F29 V33 | F29-F36 HydrophobicContact CZ-CE1 4.17Å; V33-F36 HydrophobicContact CG1-CE1 4.08Å; V33-F36 HydrophobicContact CG1-CZ 4.21Å | ||
| 37 | T | 96.8 | Very high | 96.8 | Very high | 109 Ų | 109 | 91.2 Ų | 91.2 | 67% | 0.669 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -80 | -21 | 177.3 | 60.7 | 0 | 0 | 0 | 0 | 113.3 | D35 K42 | D35-T37 VanDerWaalsContact OD1-CB 3.26Å; D35-T37 WeakPolarHBondContact OD1-CB 3.33Å; D35-T37 VanDerWaalsContact OD1-CG2 3.3Å; D35-T37 WeakPolarHBondContact OD1-CG2 3.34Å; D35-T37 PolarHBondContact OD1-N 2.92Å; D35-T37 PolarHBondContact OD1-OG1 3.41Å; T37-K42 PolarHBondContact OG1-NZ 2.91Å |
| 38 | T | 95.1 | Very high | 96.9 | Very high | 66 Ų | 66 | 91.2 Ų | 91.2 | 41% | 0.405 | 47% | 0.469 | S | S | . | . | trans | -128.2 | 156.1 | 180 | 55.4 | 0 | 0 | 0 | 0 | 111.1 | D40 | T38-D40 VanDerWaalsContact C-N 3.33Å; T38-D40 PolarHBondContact OG1-O 3.31Å | ||
| 39 | R | 95.5 | Very high | 96.9 | Very high | 254 Ų | 254 | 92.7 Ų | 92.7 | 96% | 0.958 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -81.6 | -17.5 | 172.2 | -61.8 | -179.7 | 82.3 | 173 | 5.3 | 112.5 | ||
| 40 | D | 95.9 | Very high | 96.9 | Very high | 128 Ų | 128 | 93.7 Ų | 93.7 | 68% | 0.684 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -84.8 | 142.4 | 177.9 | -56.4 | -55.2 | 0 | 0 | 0 | 110.8 | T38 K42 | T38-D40 VanDerWaalsContact C-N 3.33Å; T38-D40 PolarHBondContact OG1-O 3.31Å; D40-K42 PolarHBondContact O-N 3.38Å |
| 41 | V | 95.4 | Very high | 96.9 | Very high | 99 Ų | 99 | 90.6 Ų | 90.6 | 60% | 0.6 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -73.4 | 123.1 | 174.3 | -178.1 | 0 | 0 | 0 | 0 | 108.8 | E45 | V41-E45 HydrophobicContact CG1-CB 3.9Š|
| 42 | K | 96.1 | Very high | 96.9 | Very high | 68 Ų | 68 | 85.7 Ų | 85.7 | 30% | 0.296 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 151 | -179.6 | -66 | -171.2 | -178.4 | -169.7 | 0 | 110.6 | D35 T37 D40 E44 E45 S46 | D35-K42 HydrophobicContact CB-CD 4.2Å; D35-K42 IonicContact OD1-NZ 3.6Å; D35-K42 WeakPolarHBondContact OD2-CE 3.42Å; D35-K42 IonicContact OD2-NZ 2.6Å; D35-K42 PolarHBondContact OD2-NZ 2.91Å; T37-K42 PolarHBondContact OG1-NZ 2.91Å; D40-K42 PolarHBondContact O-N 3.38Å; K42-E44 PolarHBondContact O-N 2.92Å; K42-E44 VanDerWaalsContact O-N 3.16Å; K42-E45 HydrophobicContact CB-CG 4.16Å; K42-E45 PolarHBondContact N-OE2 3.44Å; K42-E45 VanDerWaalsContact N-OE2 3.09Å; K42-E45 WeakPolarHBondContact O-CB 3.41Å; K42-E45 PolarHBondContact O-N 3.28Å; K42-S46 PolarHBondContact O-N 3.45Å |
| 43 | P | 97 | Very high | 96.9 | Very high | 111 Ų | 111 | 88.9 Ų | 88.9 | 72% | 0.721 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -58.2 | -32.8 | -179.2 | 22.2 | -33.7 | 0 | 0 | 0 | 113 | S46 S47 | P43-S46 PolarHBondContact O-N 3.24Å; P43-S47 WeakPolarHBondContact O-CB 3.48Å; P43-S47 PolarHBondContact O-N 3.33Å |
| 44 | E | 96.5 | Very high | 96.9 | Very high | 144 Ų | 144 | 92.2 Ų | 92.2 | 67% | 0.673 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.8 | -41.1 | 174.1 | -62.6 | -178.4 | -173.6 | 0 | 0 | 112.5 | K42 C48 | K42-E44 PolarHBondContact O-N 2.92Å; K42-E44 VanDerWaalsContact O-N 3.16Å; E44-C48 VanDerWaalsContact O-CB 3.29Å; E44-C48 WeakPolarHBondContact O-CB 3.45Å; E44-C48 PolarHBondContact O-N 3.11Å |
| 45 | E | 97.7 | Very high | 97.1 | Very high | 7 Ų | 7 | 92.6 Ų | 92.6 | 3% | 0.033 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -70.1 | -38.9 | 178.1 | -58.9 | 180 | 132.3 | 0 | 0 | 110.8 | C32 V33 K34 D35 V41 K42 C48 S49 | C32-E45 WeakPolarHBondContact O-CG 3.33Å; V33-E45 WeakPolarHBondContact CA-OE1 3.49Å; K34-E45 PolarHBondContact N-OE1 2.99Å; D35-E45 PolarHBondContact N-OE1 3.4Å; V41-E45 HydrophobicContact CG1-CB 3.9Å; K42-E45 HydrophobicContact CB-CG 4.16Å; K42-E45 PolarHBondContact N-OE2 3.44Å; K42-E45 VanDerWaalsContact N-OE2 3.09Å; K42-E45 WeakPolarHBondContact O-CB 3.41Å; K42-E45 PolarHBondContact O-N 3.28Å; E45-C48 PolarHBondContact O-N 2.79Å; E45-S49 WeakPolarHBondContact O-CB 3.45Å; E45-S49 PolarHBondContact O-N 3.36Å; E45-S49 PolarHBondContact O-OG 3.37Å |
| 46 | S | 97.2 | Very high | 97.2 | Very high | 47 Ų | 47 | 92.5 Ų | 92.5 | 33% | 0.329 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.8 | -52.7 | 173.2 | -165.8 | 0 | 0 | 0 | 0 | 110.9 | K42 P43 C48 S49 E50 | K42-S46 PolarHBondContact O-N 3.45Å; P43-S46 PolarHBondContact O-N 3.24Å; S46-C48 VanDerWaalsContact C-N 3.31Å; S46-C48 PolarHBondContact O-N 3.14Å; S46-S49 PolarHBondContact O-N 2.99Å; S46-S49 VanDerWaalsContact O-N 3.14Å; S46-S49 PolarHBondContact O-OG 3.42Å; S46-E50 PolarHBondContact O-N 3.42Å |
| 47 | S | 98.2 | Very high | 97.2 | Very high | 68 Ų | 68 | 89 Ų | 89 | 48% | 0.476 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.9 | -38.3 | 178.8 | -174.5 | 0 | 0 | 0 | 0 | 112.7 | P43 S51 | P43-S47 WeakPolarHBondContact O-CB 3.48Å; P43-S47 PolarHBondContact O-N 3.33Å; S47-S51 WeakPolarHBondContact O-CB 3.42Å; S47-S51 PolarHBondContact O-N 2.86Å; S47-S51 VanDerWaalsContact O-N 3.09Å; S47-S51 PolarHBondContact O-OG 3.3Å |
| 48 | C | 98.4 | Very high | 97.3 | Very high | 52 Ų | 52 | 90.2 Ų | 90.2 | 35% | 0.351 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.3 | -48.1 | 172.8 | -179.2 | 0 | 0 | 0 | 0 | 111.4 | C32 E44 E45 S46 E50 S51 C52 | C32-C48 VanDerWaalsContact CA-SG 3.52Å; C32-C48 HydrophobicContact CB-CB 3.6Å; C32-C48 WeakPolarHBondContact CB-SG 3.46Å; C32-C48 WeakPolarHBondContact SG-CB 3.49Å; C32-C48 PolarHBondContact SG-O 3.45Å; C32-C48 VanDerWaalsContact SG-O 3.37Å; C32-C48 CovalentContact SG-SG 2.05Å; C32-C48 PolarHBondContact SG-SG 3.2Å; E44-C48 VanDerWaalsContact O-CB 3.29Å; E44-C48 WeakPolarHBondContact O-CB 3.45Å; E44-C48 PolarHBondContact O-N 3.11Å; E45-C48 PolarHBondContact O-N 2.79Å; S46-C48 VanDerWaalsContact C-N 3.31Å; S46-C48 PolarHBondContact O-N 3.14Å; C48-E50 PolarHBondContact O-N 3.4Å; C48-S51 CarbonylContact O-C 3.6Å; C48-S51 WeakPolarHBondContact O-CB 3.4Å; C48-S51 PolarHBondContact O-N 2.92Å; C48-C52 WeakPolarHBondContact O-CB 3.29Å; C48-C52 PolarHBondContact O-N 3.47Å |
| 49 | S | 97.9 | Very high | 97.4 | Very high | 43 Ų | 43 | 91.4 Ų | 91.4 | 30% | 0.301 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.1 | -39.5 | -177.1 | 70.4 | 0 | 0 | 0 | 0 | 112.7 | C32 E45 S46 C52 L53 | C32-S49 PolarHBondContact SG-N 2.88Å; C32-S49 VanDerWaalsContact SG-N 3.42Å; E45-S49 WeakPolarHBondContact O-CB 3.45Å; E45-S49 PolarHBondContact O-N 3.36Å; E45-S49 PolarHBondContact O-OG 3.37Å; S46-S49 PolarHBondContact O-N 2.99Å; S46-S49 VanDerWaalsContact O-N 3.14Å; S46-S49 PolarHBondContact O-OG 3.42Å; S49-C52 WeakPolarHBondContact O-CB 3.32Å; S49-C52 PolarHBondContact O-N 3.47Å; S49-L53 PolarHBondContact O-N 2.81Å |
| 50 | E | 98 | Very high | 97.5 | Very high | 121 Ų | 121 | 82.1 Ų | 82.1 | 57% | 0.565 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -62.8 | -46.2 | 173.2 | -72.3 | 174.8 | -161.2 | 0 | 0 | 111.4 | S46 C48 C52 L53 Q54 | S46-E50 PolarHBondContact O-N 3.42Å; C48-E50 PolarHBondContact O-N 3.4Å; E50-C52 VanDerWaalsContact C-N 3.32Å; E50-C52 PolarHBondContact O-N 3.5Å; E50-L53 PolarHBondContact O-N 3.18Å; E50-Q54 WeakPolarHBondContact O-CG 3.46Å; E50-Q54 PolarHBondContact O-N 3.48Å |
| 51 | S | 98.4 | Very high | 97.5 | Very high | 72 Ų | 72 | 82 Ų | 82 | 50% | 0.503 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.4 | -39.1 | 177 | -61.7 | 0 | 0 | 0 | 0 | 111.9 | S47 C48 Q54 K55 | S47-S51 WeakPolarHBondContact O-CB 3.42Å; S47-S51 PolarHBondContact O-N 2.86Å; S47-S51 VanDerWaalsContact O-N 3.09Å; S47-S51 PolarHBondContact O-OG 3.3Å; C48-S51 CarbonylContact O-C 3.6Å; C48-S51 WeakPolarHBondContact O-CB 3.4Å; C48-S51 PolarHBondContact O-N 2.92Å; S51-Q54 PolarHBondContact O-N 3.21Å; S51-K55 WeakPolarHBondContact O-CB 3.47Å; S51-K55 PolarHBondContact O-N 2.98Å |
| 52 | C | 98.5 | Very high | 97.6 | Very high | 23 Ų | 23 | 85.4 Ų | 85.4 | 16% | 0.155 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -60.5 | -50.7 | 175.7 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | C28 C48 S49 E50 Q54 K55 Y56 | C28-C52 WeakPolarHBondContact CA-SG 3.31Å; C28-C52 HydrophobicContact CB-CB 3.81Å; C28-C52 WeakPolarHBondContact CB-SG 3.34Å; C28-C52 WeakPolarHBondContact SG-CB 3.37Å; C28-C52 CovalentContact SG-SG 2.05Å; C28-C52 PolarHBondContact SG-SG 2.97Å; C48-C52 WeakPolarHBondContact O-CB 3.29Å; C48-C52 PolarHBondContact O-N 3.47Å; S49-C52 WeakPolarHBondContact O-CB 3.32Å; S49-C52 PolarHBondContact O-N 3.47Å; E50-C52 VanDerWaalsContact C-N 3.32Å; E50-C52 PolarHBondContact O-N 3.5Å; C52-Q54 PolarHBondContact O-N 2.99Å; C52-K55 PolarHBondContact O-N 3.38Å; C52-Y56 WeakPolarHBondContact O-CB 3.46Å; C52-Y56 PolarHBondContact O-N 3Å |
| 53 | L | 97.9 | Very high | 97.7 | Very high | 71 Ų | 71 | 87 Ų | 87 | 37% | 0.372 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -59.3 | -48.4 | 177.6 | 177.2 | 61 | 0 | 0 | 0 | 111.4 | V24 S49 E50 K55 Y56 L57 | V24-L53 HydrophobicContact CG1-CD1 4.18Å; V24-L53 HydrophobicContact CG2-CD1 3.83Å; S49-L53 PolarHBondContact O-N 2.81Å; E50-L53 PolarHBondContact O-N 3.18Å; L53-K55 VanDerWaalsContact C-N 3.32Å; L53-K55 PolarHBondContact O-N 3.41Å; L53-Y56 PolarHBondContact O-N 3.07Å; L53-L57 HydrophobicContact CD1-CD1 4.09Å; L53-L57 HydrophobicContact CD1-CG 4.14Å; L53-L57 HydrophobicContact CG-CD1 4.17Å; L53-L57 WeakPolarHBondContact O-CG 3.35Å; L53-L57 PolarHBondContact O-N 3.33Å |
| 54 | Q | 98 | Very high | 97.7 | Very high | 101 Ų | 101 | 84.3 Ų | 84.3 | 47% | 0.472 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -59.9 | -42.7 | 178.2 | -72.2 | -62.5 | -41.8 | 0 | 0 | 112.1 | E50 S51 C52 K58 | E50-Q54 WeakPolarHBondContact O-CG 3.46Å; E50-Q54 PolarHBondContact O-N 3.48Å; S51-Q54 PolarHBondContact O-N 3.21Å; C52-Q54 PolarHBondContact O-N 2.99Å; Q54-K58 WeakPolarHBondContact O-CB 3.39Å; Q54-K58 VanDerWaalsContact O-CG 3.29Å; Q54-K58 WeakPolarHBondContact O-CG 3.2Å; Q54-K58 PolarHBondContact O-N 2.97Å; Q54-K58 VanDerWaalsContact O-N 3.08Å |
| 55 | K | 98.3 | Very high | 97.7 | Very high | 161 Ų | 161 | 82 Ų | 82 | 70% | 0.7 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -65.2 | -44.1 | 177.1 | -173.7 | 179.1 | 179 | -174.7 | 0 | 111.3 | S51 C52 L53 K58 M59 | S51-K55 WeakPolarHBondContact O-CB 3.47Å; S51-K55 PolarHBondContact O-N 2.98Å; C52-K55 PolarHBondContact O-N 3.38Å; L53-K55 VanDerWaalsContact C-N 3.32Å; L53-K55 PolarHBondContact O-N 3.41Å; K55-K58 PolarHBondContact O-N 2.95Å; K55-M59 WeakPolarHBondContact O-CB 3.38Å; K55-M59 PolarHBondContact O-N 3.42Å |
| 56 | Y | 98.1 | Very high | 97.7 | Very high | 48 Ų | 48 | 88.3 Ų | 88.3 | 19% | 0.188 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -60.7 | -45.8 | 178.6 | -177.8 | -90.9 | 0 | 0 | 0 | 111.9 | T20 V24 C52 L53 M59 T60 | T20-Y56 HydrophobicContact CG2-CE1 4.14Å; V24-Y56 HydrophobicContact CB-CD1 3.97Å; V24-Y56 HydrophobicContact CB-CE1 4Å; V24-Y56 HydrophobicContact CB-CG 4.33Å; V24-Y56 HydrophobicContact CG2-CD1 3.55Å; V24-Y56 HydrophobicContact CG2-CD2 4.17Å; V24-Y56 HydrophobicContact CG2-CE1 4.11Å; V24-Y56 HydrophobicContact CG2-CG 3.59Å; C52-Y56 WeakPolarHBondContact O-CB 3.46Å; C52-Y56 PolarHBondContact O-N 3Å; L53-Y56 PolarHBondContact O-N 3.07Å; Y56-M59 HydrophobicContact CD2-CE 3.89Å; Y56-M59 HydrophobicContact CE2-CE 4.08Å; Y56-M59 PolarHBondContact O-N 3.01Å; Y56-T60 WeakPolarHBondContact O-CB 3.41Å; Y56-T60 PolarHBondContact O-N 2.99Å; Y56-T60 PolarHBondContact O-OG1 3.36Å |
| 57 | L | 96.9 | Very high | 97.7 | Very high | 75 Ų | 75 | 91.9 Ų | 91.9 | 39% | 0.393 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.3 | -47.2 | 178.3 | -67.4 | 175.4 | 0 | 0 | 0 | 111.7 | L53 M59 T60 Q61 | L53-L57 HydrophobicContact CD1-CD1 4.09Å; L53-L57 HydrophobicContact CD1-CG 4.14Å; L53-L57 HydrophobicContact CG-CD1 4.17Å; L53-L57 WeakPolarHBondContact O-CG 3.35Å; L53-L57 PolarHBondContact O-N 3.33Å; L57-M59 VanDerWaalsContact C-N 3.33Å; L57-M59 PolarHBondContact O-N 2.92Å; L57-T60 PolarHBondContact O-N 3.3Å; L57-Q61 WeakPolarHBondContact O-CG 3.46Å; L57-Q61 PolarHBondContact O-N 2.8Å |
| 58 | K | 98.2 | Very high | 97.6 | Very high | 135 Ų | 135 | 93.9 Ų | 93.9 | 59% | 0.587 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -61.7 | -41.2 | 176.8 | -72.8 | 174.7 | -177.2 | 177.4 | 0 | 112 | Q54 K55 R62 | Q54-K58 WeakPolarHBondContact O-CB 3.39Å; Q54-K58 VanDerWaalsContact O-CG 3.29Å; Q54-K58 WeakPolarHBondContact O-CG 3.2Å; Q54-K58 PolarHBondContact O-N 2.97Å; Q54-K58 VanDerWaalsContact O-N 3.08Å; K55-K58 PolarHBondContact O-N 2.95Å; K58-R62 WeakPolarHBondContact O-CB 3.39Å; K58-R62 PolarHBondContact O-N 2.88Å |
| 59 | M | 97.7 | Very high | 97.5 | Very high | 92 Ų | 92 | 95.1 Ų | 95.1 | 45% | 0.453 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.1 | -50.1 | 175.2 | 178.1 | -165.9 | 73.3 | 0 | 0 | 110.8 | K55 Y56 L57 Q61 R62 I63 | K55-M59 WeakPolarHBondContact O-CB 3.38Å; K55-M59 PolarHBondContact O-N 3.42Å; Y56-M59 HydrophobicContact CD2-CE 3.89Å; Y56-M59 HydrophobicContact CE2-CE 4.08Å; Y56-M59 PolarHBondContact O-N 3.01Å; L57-M59 VanDerWaalsContact C-N 3.33Å; L57-M59 PolarHBondContact O-N 2.92Å; M59-Q61 VanDerWaalsContact C-N 3.35Å; M59-Q61 PolarHBondContact O-N 3.49Å; M59-R62 PolarHBondContact O-N 2.7Å; M59-R62 VanDerWaalsContact O-N 3.14Å; M59-I63 HydrophobicContact CE-CD1 4.38Å; M59-I63 HydrophobicContact CG-CD1 3.74Å; M59-I63 HydrophobicContact CG-CG1 4.4Å; M59-I63 WeakPolarHBondContact O-CG1 3.02Å; M59-I63 PolarHBondContact O-N 3.37Å; M59-I63 HydrophobicContact SD-CD1 4.32Å |
| 60 | T | 96.4 | Very high | 97.4 | Very high | 59 Ų | 59 | 99.8 Ų | 99.8 | 36% | 0.362 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.9 | -44.3 | -179.2 | -57.6 | 0 | 0 | 0 | 0 | 111.4 | Y56 L57 R62 I63 S64 | Y56-T60 WeakPolarHBondContact O-CB 3.41Å; Y56-T60 PolarHBondContact O-N 2.99Å; Y56-T60 PolarHBondContact O-OG1 3.36Å; L57-T60 PolarHBondContact O-N 3.3Å; T60-R62 PolarHBondContact O-N 2.91Å; T60-I63 PolarHBondContact O-N 3.44Å; T60-S64 WeakPolarHBondContact O-CB 3.42Å; T60-S64 PolarHBondContact O-N 3.43Å |
| 61 | Q | 96.9 | Very high | 97.2 | Very high | 126 Ų | 126 | 97.3 Ų | 97.3 | 59% | 0.589 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -60.5 | -44.6 | 174.5 | -71.8 | 175 | 26.3 | 0 | 0 | 111.9 | L57 M59 S64 M65 | L57-Q61 WeakPolarHBondContact O-CG 3.46Å; L57-Q61 PolarHBondContact O-N 2.8Å; M59-Q61 VanDerWaalsContact C-N 3.35Å; M59-Q61 PolarHBondContact O-N 3.49Å; Q61-S64 PolarHBondContact O-N 3.08Å; Q61-M65 WeakPolarHBondContact O-CG 3.41Å; Q61-M65 PolarHBondContact O-N 2.82Å |
| 62 | R | 97.9 | Very high | 97 | Very high | 169 Ų | 169 | 98.5 Ų | 98.5 | 64% | 0.638 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -64.2 | -42.1 | 178.7 | -172.4 | 174.2 | -178.4 | 172.7 | 1.2 | 112.3 | K58 M59 T60 M65 R66 | K58-R62 WeakPolarHBondContact O-CB 3.39Å; K58-R62 PolarHBondContact O-N 2.88Å; M59-R62 PolarHBondContact O-N 2.7Å; M59-R62 VanDerWaalsContact O-N 3.14Å; T60-R62 PolarHBondContact O-N 2.91Å; R62-M65 HydrophobicContact CB-CE 4.39Å; R62-M65 PolarHBondContact O-N 2.97Å; R62-R66 WeakPolarHBondContact O-CG 3.19Å; R62-R66 PolarHBondContact O-N 3.29Å |
| 63 | I | 97.6 | Very high | 96.7 | Very high | 102 Ų | 102 | 103 Ų | 103 | 52% | 0.523 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.3 | -47.3 | 175.1 | -69 | 168.5 | 0 | 0 | 0 | 109.7 | M59 T60 M65 R66 F67 | M59-I63 HydrophobicContact CE-CD1 4.38Å; M59-I63 HydrophobicContact CG-CD1 3.74Å; M59-I63 HydrophobicContact CG-CG1 4.4Å; M59-I63 WeakPolarHBondContact O-CG1 3.02Å; M59-I63 PolarHBondContact O-N 3.37Å; M59-I63 HydrophobicContact SD-CD1 4.32Å; T60-I63 PolarHBondContact O-N 3.44Å; I63-M65 VanDerWaalsContact C-N 3.33Å; I63-M65 PolarHBondContact O-N 3.41Å; I63-R66 PolarHBondContact O-N 2.85Å; I63-F67 WeakPolarHBondContact O-CB 3.06Å; I63-F67 PolarHBondContact O-N 3.44Å |
| 64 | S | 96.4 | Very high | 96.5 | Very high | 55 Ų | 55 | 103.9 Ų | 103.9 | 39% | 0.385 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -57.3 | -44.1 | 178.3 | -172.9 | 0 | 0 | 0 | 0 | 112.3 | T60 Q61 F67 Q68 | T60-S64 WeakPolarHBondContact O-CB 3.42Å; T60-S64 PolarHBondContact O-N 3.43Å; Q61-S64 PolarHBondContact O-N 3.08Å; S64-F67 PolarHBondContact O-N 3.01Å; S64-Q68 WeakPolarHBondContact O-CB 3.46Å; S64-Q68 VanDerWaalsContact O-CG 3.29Å; S64-Q68 WeakPolarHBondContact O-CG 3.06Å; S64-Q68 PolarHBondContact O-N 2.91Å |
| 65 | M | 97.3 | Very high | 96.1 | Very high | 96 Ų | 96 | 103.6 Ų | 103.6 | 47% | 0.473 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.5 | -48.4 | 177 | -73.7 | -173.2 | -71.6 | 0 | 0 | 111.8 | Q61 R62 I63 F67 Q68 E69 | Q61-M65 WeakPolarHBondContact O-CG 3.41Å; Q61-M65 PolarHBondContact O-N 2.82Å; R62-M65 HydrophobicContact CB-CE 4.39Å; R62-M65 PolarHBondContact O-N 2.97Å; I63-M65 VanDerWaalsContact C-N 3.33Å; I63-M65 PolarHBondContact O-N 3.41Å; M65-F67 VanDerWaalsContact C-N 3.33Å; M65-F67 PolarHBondContact O-N 3Å; M65-Q68 PolarHBondContact O-N 3.44Å; M65-E69 WeakPolarHBondContact O-CG 3.35Å; M65-E69 PolarHBondContact O-N 3.02Å |
| 66 | R | 98 | Very high | 95.7 | Very high | 139 Ų | 139 | 101.4 Ų | 101.4 | 53% | 0.525 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.6 | -35.8 | -179.1 | -60.2 | -62.5 | 155.5 | -170.5 | -3.4 | 112.5 | R62 I63 E69 Y70 | R62-R66 WeakPolarHBondContact O-CG 3.19Å; R62-R66 PolarHBondContact O-N 3.29Å; I63-R66 PolarHBondContact O-N 2.85Å; R66-E69 VanDerWaalsContact CD-OE2 3.32Å; R66-E69 WeakPolarHBondContact CD-OE2 3.08Å; R66-E69 IonicContact CZ-OE1 3.4Å; R66-E69 IonicContact CZ-OE2 3.53Å; R66-E69 IonicContact NE-OE1 3.94Å; R66-E69 IonicContact NE-OE2 3.79Å; R66-E69 VanDerWaalsContact NH1-CD 3.25Å; R66-E69 IonicContact NH1-OE1 2.98Å; R66-E69 PolarHBondContact NH1-OE1 2.99Å; R66-E69 IonicContact NH1-OE2 2.7Å; R66-E69 PolarHBondContact NH1-OE2 3.38Å; R66-E69 IonicContact NH2-OE1 3.94Å; R66-E69 PolarHBondContact O-N 2.05Å; R66-Y70 PolarHBondContact O-N 3.35Å |
| 67 | F | 96.9 | Very high | 95.3 | Very high | 121 Ų | 121 | 101.7 Ų | 101.7 | 53% | 0.531 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.3 | -43.7 | 174.9 | -175.1 | -107.9 | 0 | 0 | 0 | 111.7 | I63 S64 M65 Y70 H71 | I63-F67 WeakPolarHBondContact O-CB 3.06Å; I63-F67 PolarHBondContact O-N 3.44Å; S64-F67 PolarHBondContact O-N 3.01Å; M65-F67 VanDerWaalsContact C-N 3.33Å; M65-F67 PolarHBondContact O-N 3Å; F67-Y70 PolarHBondContact O-N 2.91Å; F67-H71 AromaticContact CD1-CD2 3.64Å; F67-H71 AromaticContact CE1-CD2 3.31Å; F67-H71 WeakPolarHBondContact CE1-CD2 3.29Å; F67-H71 AromaticContact CE1-NE2 3.28Å; F67-H71 VanDerWaalsContact CE1-NE2 3.28Å; F67-H71 WeakPolarHBondContact CE1-NE2 3.26Å; F67-H71 AromaticContact CE2-CD2 3.73Å; F67-H71 AromaticContact CE2-NE2 3.35Å; F67-H71 WeakPolarHBondContact CE2-NE2 3.33Å; F67-H71 AromaticContact CZ-CD2 3.38Å; F67-H71 WeakPolarHBondContact CZ-CD2 3.44Å; F67-H71 AromaticContact CZ-NE2 2.88Å; F67-H71 WeakPolarHBondContact CZ-NE2 3.3Å; F67-H71 PolarHBondContact O-CD2 3.37Å; F67-H71 PolarHBondContact O-N 3.34Å |
| 68 | Q | 96.3 | Very high | 94.9 | Very high | 110 Ų | 110 | 102.9 Ų | 102.9 | 51% | 0.514 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.8 | -44.8 | 175.3 | -73.5 | 172.9 | -2.1 | 0 | 0 | 112.1 | S64 M65 Y70 H71 I72 | S64-Q68 WeakPolarHBondContact O-CB 3.46Å; S64-Q68 VanDerWaalsContact O-CG 3.29Å; S64-Q68 WeakPolarHBondContact O-CG 3.06Å; S64-Q68 PolarHBondContact O-N 2.91Å; M65-Q68 PolarHBondContact O-N 3.44Å; Q68-Y70 VanDerWaalsContact C-N 3.29Å; Q68-Y70 PolarHBondContact O-N 3.39Å; Q68-H71 PolarHBondContact O-N 2.97Å; Q68-I72 WeakPolarHBondContact O-CG1 3.35Å; Q68-I72 PolarHBondContact O-N 3.26Å |
| 69 | E | 95.4 | Very high | 94.4 | Very high | 78 Ų | 78 | 97.8 Ų | 97.8 | 36% | 0.364 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -54.4 | -46.4 | 174.7 | -74.1 | 170.9 | -169.8 | 0 | 0 | 111.4 | M65 R66 I72 Q73 | M65-E69 WeakPolarHBondContact O-CG 3.35Å; M65-E69 PolarHBondContact O-N 3.02Å; R66-E69 VanDerWaalsContact CD-OE2 3.32Å; R66-E69 WeakPolarHBondContact CD-OE2 3.08Å; R66-E69 IonicContact CZ-OE1 3.4Å; R66-E69 IonicContact CZ-OE2 3.53Å; R66-E69 IonicContact NE-OE1 3.94Å; R66-E69 IonicContact NE-OE2 3.79Å; R66-E69 VanDerWaalsContact NH1-CD 3.25Å; R66-E69 IonicContact NH1-OE1 2.98Å; R66-E69 PolarHBondContact NH1-OE1 2.99Å; R66-E69 IonicContact NH1-OE2 2.7Å; R66-E69 PolarHBondContact NH1-OE2 3.38Å; R66-E69 IonicContact NH2-OE1 3.94Å; R66-E69 PolarHBondContact O-N 2.05Å; E69-I72 PolarHBondContact O-N 3.46Å; E69-Q73 WeakPolarHBondContact O-CG 3.34Å; E69-Q73 PolarHBondContact O-N 2.77Å; E69-Q73 VanDerWaalsContact O-N 3.15Å |
| 70 | Y | 96.2 | Very high | 93.9 | Very high | 141 Ų | 141 | 96 Ų | 96 | 55% | 0.553 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63.8 | -43.9 | 178.2 | -179.8 | -100.6 | 0 | 0 | 0 | 112.5 | R66 F67 Q68 I72 Q73 Q74 | R66-Y70 PolarHBondContact O-N 3.35Å; F67-Y70 PolarHBondContact O-N 2.91Å; Q68-Y70 VanDerWaalsContact C-N 3.29Å; Q68-Y70 PolarHBondContact O-N 3.39Å; Y70-I72 VanDerWaalsContact C-N 3.34Å; Y70-I72 PolarHBondContact O-N 3.46Å; Y70-Q73 PolarHBondContact O-N 2.88Å; Y70-Q74 PolarHBondContact O-N 2.92Å |
| 71 | H | 94 | Very high | 93.4 | Very high | 70 Ų | 70 | 102.1 Ų | 102.1 | 32% | 0.324 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.6 | -39.1 | 177.2 | -91.6 | -67.2 | 0 | 0 | 0 | 113.1 | F67 Q68 Q74 N75 | F67-H71 AromaticContact CD1-CD2 3.64Å; F67-H71 AromaticContact CE1-CD2 3.31Å; F67-H71 WeakPolarHBondContact CE1-CD2 3.29Å; F67-H71 AromaticContact CE1-NE2 3.28Å; F67-H71 VanDerWaalsContact CE1-NE2 3.28Å; F67-H71 WeakPolarHBondContact CE1-NE2 3.26Å; F67-H71 AromaticContact CE2-CD2 3.73Å; F67-H71 AromaticContact CE2-NE2 3.35Å; F67-H71 WeakPolarHBondContact CE2-NE2 3.33Å; F67-H71 AromaticContact CZ-CD2 3.38Å; F67-H71 WeakPolarHBondContact CZ-CD2 3.44Å; F67-H71 AromaticContact CZ-NE2 2.88Å; F67-H71 WeakPolarHBondContact CZ-NE2 3.3Å; F67-H71 PolarHBondContact O-CD2 3.37Å; F67-H71 PolarHBondContact O-N 3.34Å; Q68-H71 PolarHBondContact O-N 2.97Å; H71-Q74 PolarHBondContact O-N 3.25Å; H71-N75 WeakPolarHBondContact O-CB 3.21Å; H71-N75 VanDerWaalsContact O-CG 3.31Å; H71-N75 PolarHBondContact O-N 2.05Å |
| 72 | I | 94.4 | Very high | 92.9 | Very high | 96 Ų | 96 | 99.2 Ų | 99.2 | 49% | 0.492 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.1 | -48.6 | 176.5 | -68.6 | 165.3 | 0 | 0 | 0 | 110.2 | Q68 E69 Y70 Q74 N75 E76 | Q68-I72 WeakPolarHBondContact O-CG1 3.35Å; Q68-I72 PolarHBondContact O-N 3.26Å; E69-I72 PolarHBondContact O-N 3.46Å; Y70-I72 VanDerWaalsContact C-N 3.34Å; Y70-I72 PolarHBondContact O-N 3.46Å; I72-Q74 VanDerWaalsContact C-N 3.29Å; I72-Q74 PolarHBondContact O-N 2.55Å; I72-N75 PolarHBondContact O-N 3.09Å; I72-N75 VanDerWaalsContact O-N 3.11Å; I72-E76 HydrophobicContact CG2-CG 4.33Å; I72-E76 WeakPolarHBondContact O-CG 3.5Å; I72-E76 PolarHBondContact O-N 3.49Å |
| 73 | Q | 92.6 | Very high | 91.8 | Very high | 119 Ų | 119 | 94 Ų | 94 | 56% | 0.556 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -58.8 | -41 | 178.6 | -70.7 | 173.4 | 30.3 | 0 | 0 | 112.3 | E69 Y70 E76 A77 | E69-Q73 WeakPolarHBondContact O-CG 3.34Å; E69-Q73 PolarHBondContact O-N 2.77Å; E69-Q73 VanDerWaalsContact O-N 3.15Å; Y70-Q73 PolarHBondContact O-N 2.88Å; Q73-E76 PolarHBondContact O-N 3.48Å; Q73-A77 WeakPolarHBondContact O-CB 3.49Å; Q73-A77 PolarHBondContact O-N 3.01Å |
| 74 | Q | 92.6 | Very high | 90.5 | Very high | 88 Ų | 88 | 95.9 Ų | 95.9 | 41% | 0.411 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.7 | -44.4 | 176.1 | -174.1 | 179.3 | 63.9 | 0 | 0 | 111.4 | Y70 H71 I72 A77 L78 | Y70-Q74 PolarHBondContact O-N 2.92Å; H71-Q74 PolarHBondContact O-N 3.25Å; I72-Q74 VanDerWaalsContact C-N 3.29Å; I72-Q74 PolarHBondContact O-N 2.55Å; Q74-A77 PolarHBondContact O-N 3.5Å; Q74-L78 HydrophobicContact CG-CD1 4.15Å; Q74-L78 VanDerWaalsContact O-CG 3.24Å; Q74-L78 WeakPolarHBondContact O-CG 3.39Å; Q74-L78 PolarHBondContact O-N 2.6Å |
| 75 | N | 90.5 | Very high | 88.9 | Confident | 95 Ų | 95 | 98.5 Ų | 98.5 | 51% | 0.508 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.1 | -39.8 | 178.2 | -74.6 | -8.3 | 0 | 0 | 0 | 112.4 | H71 I72 L78 A79 | H71-N75 WeakPolarHBondContact O-CB 3.21Å; H71-N75 VanDerWaalsContact O-CG 3.31Å; H71-N75 PolarHBondContact O-N 2.05Å; I72-N75 PolarHBondContact O-N 3.09Å; I72-N75 VanDerWaalsContact O-N 3.11Å; N75-L78 PolarHBondContact O-N 2.97Å; N75-A79 WeakPolarHBondContact O-CB 3.36Å; N75-A79 PolarHBondContact O-N 2.86Å |
| 76 | E | 89.8 | Confident | 86.8 | Confident | 116 Ų | 116 | 97 Ų | 97 | 54% | 0.542 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 174.3 | -73.2 | 177 | 169.5 | 0 | 0 | 111.5 | I72 Q73 L78 A79 A80 | I72-E76 HydrophobicContact CG2-CG 4.33Å; I72-E76 WeakPolarHBondContact O-CG 3.5Å; I72-E76 PolarHBondContact O-N 3.49Å; Q73-E76 PolarHBondContact O-N 3.48Å; E76-L78 VanDerWaalsContact C-N 3.31Å; E76-L78 PolarHBondContact O-N 2.74Å; E76-A79 PolarHBondContact O-N 3.42Å; E76-A80 WeakPolarHBondContact O-CB 3.29Å; E76-A80 PolarHBondContact O-N 2.96Å |
| 77 | A | 88.4 | Confident | 84.4 | Confident | 54 Ų | 54 | 99 Ų | 99 | 45% | 0.446 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.1 | -37.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q73 Q74 K81 | Q73-A77 WeakPolarHBondContact O-CB 3.49Å; Q73-A77 PolarHBondContact O-N 3.01Å; Q74-A77 PolarHBondContact O-N 3.5Å; A77-K81 WeakPolarHBondContact O-CG 3.33Å; A77-K81 PolarHBondContact O-N 3.03Å; A77-K81 VanDerWaalsContact O-N 3.1Å |
| 78 | L | 88.8 | Confident | 82.5 | Confident | 99 Ų | 99 | 98.9 Ų | 98.9 | 52% | 0.518 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.7 | -42.6 | 174.3 | -70.7 | 167.9 | 0 | 0 | 0 | 111.6 | Q74 N75 E76 A80 K81 A82 | Q74-L78 HydrophobicContact CG-CD1 4.15Å; Q74-L78 VanDerWaalsContact O-CG 3.24Å; Q74-L78 WeakPolarHBondContact O-CG 3.39Å; Q74-L78 PolarHBondContact O-N 2.6Å; N75-L78 PolarHBondContact O-N 2.97Å; E76-L78 VanDerWaalsContact C-N 3.31Å; E76-L78 PolarHBondContact O-N 2.74Å; L78-A80 VanDerWaalsContact C-N 3.35Å; L78-A80 PolarHBondContact O-N 3.33Å; L78-K81 PolarHBondContact O-N 3.4Å; L78-A82 WeakPolarHBondContact O-CB 3.47Å; L78-A82 PolarHBondContact O-N 3.14Å |
| 79 | A | 88.3 | Confident | 80.2 | Confident | 29 Ų | 29 | 108.9 Ų | 108.9 | 24% | 0.24 | 58% | 0.58 | C | S | . | * | H | α-helix | trans | -64.7 | -37.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | N75 E76 A82 G83 L84 L85 | N75-A79 WeakPolarHBondContact O-CB 3.36Å; N75-A79 PolarHBondContact O-N 2.86Å; E76-A79 PolarHBondContact O-N 3.42Å; A79-A82 PolarHBondContact O-N 3.45Å; A79-G83 PolarHBondContact O-N 2.89Å; A79-L84 PolarHBondContact O-N 3.37Å; A79-L84 VanDerWaalsContact O-N 3.12Å; A79-L85 HydrophobicContact CB-CG 4.42Å |
| 80 | A | 87.4 | Confident | 79.4 | Confident | 55 Ų | 55 | 110.4 Ų | 110.4 | 46% | 0.455 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -61.3 | -48 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | E76 L78 A82 G83 L85 | E76-A80 WeakPolarHBondContact O-CB 3.29Å; E76-A80 PolarHBondContact O-N 2.96Å; L78-A80 VanDerWaalsContact C-N 3.35Å; L78-A80 PolarHBondContact O-N 3.33Å; A80-A82 VanDerWaalsContact C-N 3.28Å; A80-A82 PolarHBondContact O-N 2.94Å; A80-G83 PolarHBondContact O-N 3.09Å; A80-G83 VanDerWaalsContact O-N 3.13Å; A80-L85 HydrophobicContact CB-CD1 3.7Å |
| 81 | K | 85 | Confident | 78.6 | Confident | 187 Ų | 187 | 108.8 Ų | 108.8 | 81% | 0.813 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64.4 | -31.8 | 177 | -76.4 | -177 | 177.6 | -175.7 | 0 | 113.1 | A77 L78 G83 | A77-K81 WeakPolarHBondContact O-CG 3.33Å; A77-K81 PolarHBondContact O-N 3.03Å; A77-K81 VanDerWaalsContact O-N 3.1Å; L78-K81 PolarHBondContact O-N 3.4Å; K81-G83 PolarHBondContact O-N 3.14Å |
| 82 | A | 86.5 | Confident | 77.7 | Confident | 64 Ų | 64 | 110.9 Ų | 110.9 | 53% | 0.529 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.1 | -1.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L78 A79 A80 L84 | L78-A82 WeakPolarHBondContact O-CB 3.47Å; L78-A82 PolarHBondContact O-N 3.14Å; A79-A82 PolarHBondContact O-N 3.45Å; A80-A82 VanDerWaalsContact C-N 3.28Å; A80-A82 PolarHBondContact O-N 2.94Å; A82-L84 HydrophobicContact CB-CD1 3.91Å; A82-L84 HydrophobicContact CB-CG 4.06Å; A82-L84 PolarHBondContact O-N 3.21Å |
| 83 | G | 75.6 | Confident | 76.7 | Confident | 60 Ų | 60 | 111.8 Ų | 111.8 | 62% | 0.619 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69 | 15.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | A79 A80 K81 | A79-G83 PolarHBondContact O-N 2.89Å; A80-G83 PolarHBondContact O-N 3.09Å; A80-G83 VanDerWaalsContact O-N 3.13Å; K81-G83 PolarHBondContact O-N 3.14Å |
| 84 | L | 70.4 | Confident | 75.7 | Confident | 141 Ų | 141 | 111.4 Ų | 111.4 | 74% | 0.738 | 62% | 0.618 | S | S | * | * | trans | -83.7 | -18.5 | -179 | -66.8 | 168.4 | 0 | 0 | 0 | 112.5 | A79 A82 G86 | A79-L84 PolarHBondContact O-N 3.37Å; A79-L84 VanDerWaalsContact O-N 3.12Å; A82-L84 HydrophobicContact CB-CD1 3.91Å; A82-L84 HydrophobicContact CB-CG 4.06Å; A82-L84 PolarHBondContact O-N 3.21Å; L84-G86 PolarHBondContact O-N 3.49Å; L84-G86 VanDerWaalsContact O-N 3.14Å | ||
| 85 | L | 62.1 | Low | 74.6 | Confident | 110 Ų | 110 | 112.9 Ų | 112.9 | 58% | 0.576 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -78.8 | 91.7 | 166 | -67.4 | 176.4 | 0 | 0 | 0 | 108 | A79 A80 Q87 | A79-L85 HydrophobicContact CB-CG 4.42Å; A80-L85 HydrophobicContact CB-CD1 3.7Å; L85-Q87 PolarHBondContact O-N 2.99Å |
| 86 | G | 54.2 | Low | 73.5 | Confident | 66 Ų | 66 | 114.2 Ų | 114.2 | 68% | 0.68 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 127.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L84 | L84-G86 PolarHBondContact O-N 3.49Å; L84-G86 VanDerWaalsContact O-N 3.14Å |
| 87 | Q | 47.3 | Very low | 72.2 | Confident | 181 Ų | 181 | 114.1 Ų | 114.1 | 85% | 0.846 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 125.6 | 171.6 | -169.1 | 160.5 | 47.6 | 0 | 0 | 110 | L85 R89 | L85-Q87 PolarHBondContact O-N 2.99Å; Q87-R89 PolarHBondContact O-N 3.16Å |
| 88 | P | 57.3 | Low | 70.8 | Confident | 118 Ų | 118 | 119.1 Ų | 119.1 | 77% | 0.766 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 122.5 | 168.3 | 26.3 | -29 | 0 | 0 | 0 | 106.7 | ||
| 89 | R | 47.3 | Very low | 69.2 | Low | 319 Ų | 319 | 120.9 Ų | 120.9 | 100% | 1.204 | 68% | 0.679 | S | S | * | * | trans | -72 | 0 | 157.9 | -93.2 | -160.9 | 160.1 | 118.4 | 1.1 | 109.2 | Q87 | Q87-R89 PolarHBondContact O-N 3.16Š|
Retrieved 89 of 89 residues in 249 ms
(Link to these results)