| 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 | 52.6 | Low | 59.9 | Low | 223 Ų | 223 | 114.5 Ų | 114.5 | 100% | 1.099 | 63% | 0.632 | S | S | * | * | 0 | -29.5 | 0 | -82.4 | -179.6 | 167 | 0 | 0 | 114.9 | |||||
| 2 | K | 54.1 | Low | 60.1 | Low | 189 Ų | 189 | 113.9 Ų | 113.9 | 82% | 0.822 | 63% | 0.626 | S | S | * | * | trans | -66.3 | -35.4 | 179.8 | -81.4 | 176.1 | 168.4 | 176 | 0 | 115 | A4 | K2-A4 PolarHBondContact O-N 3.27Š| ||
| 3 | L | 54.8 | Low | 60.4 | Low | 148 Ų | 148 | 109.4 Ų | 109.4 | 78% | 0.775 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -74.4 | -24.4 | -176.2 | -67.1 | 168.7 | 0 | 0 | 0 | 114.3 | V5 T6 L7 | L3-V5 VanDerWaalsContact C-N 3.25Å; L3-V5 PolarHBondContact O-N 3.13Å; L3-T6 WeakPolarHBondContact CA-OG1 3.46Å; L3-T6 PolarHBondContact O-OG1 2.89Å; L3-T6 VanDerWaalsContact O-OG1 3.05Å; L3-L7 PolarHBondContact O-N 3.1Å |
| 4 | A | 57.8 | Low | 60.3 | Low | 76 Ų | 76 | 109.2 Ų | 109.2 | 63% | 0.628 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -72.7 | -19.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K2 P8 | K2-A4 PolarHBondContact O-N 3.27Å; A4-P8 WeakPolarHBondContact O-CD 3.46Å; A4-P8 VanDerWaalsContact O-CG 3.3Å; A4-P8 WeakPolarHBondContact O-CG 3.31Å |
| 5 | V | 59.9 | Low | 60 | Low | 87 Ų | 87 | 114.7 Ų | 114.7 | 53% | 0.527 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -96.8 | -29.7 | 179.5 | -178.6 | 0 | 0 | 0 | 0 | 111.4 | L3 P8 L9 | L3-V5 VanDerWaalsContact C-N 3.25Å; L3-V5 PolarHBondContact O-N 3.13Å; V5-P8 WeakPolarHBondContact O-CD 3.38Å; V5-P8 WeakPolarHBondContact O-CG 3.44Å; V5-L9 HydrophobicContact CG1-CD1 3.85Å; V5-L9 WeakPolarHBondContact O-CD1 3.34Å; V5-L9 WeakPolarHBondContact O-CG 3.39Å; V5-L9 PolarHBondContact O-N 3.06Å |
| 6 | T | 60.8 | Low | 59.7 | Low | 71 Ų | 71 | 113.1 Ų | 113.1 | 44% | 0.436 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -71.7 | -36.7 | -180 | 50 | 0 | 0 | 0 | 0 | 113 | L3 V10 | L3-T6 WeakPolarHBondContact CA-OG1 3.46Å; L3-T6 PolarHBondContact O-OG1 2.89Å; L3-T6 VanDerWaalsContact O-OG1 3.05Å; T6-V10 VanDerWaalsContact O-CG2 3.27Å; T6-V10 WeakPolarHBondContact O-CG2 3.15Å; T6-V10 PolarHBondContact O-N 3.46Å |
| 7 | L | 60.8 | Low | 59.4 | Low | 130 Ų | 130 | 112.4 Ų | 112.4 | 68% | 0.681 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -63.3 | -49.7 | 179.4 | -163.7 | 70.9 | 0 | 0 | 0 | 113 | L3 L9 V10 T11 | L3-L7 PolarHBondContact O-N 3.1Å; L7-L9 PolarHBondContact O-N 3.12Å; L7-V10 PolarHBondContact O-N 2.96Å; L7-T11 PolarHBondContact O-N 3.15Å; L7-T11 VanDerWaalsContact O-N 3.12Å; L7-T11 PolarHBondContact O-OG1 2.94Å |
| 8 | P | 63.6 | Low | 59 | Low | 68 Ų | 68 | 110.9 Ų | 110.9 | 44% | 0.442 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -65 | -36.3 | 177.3 | 23 | -32.2 | 0 | 0 | 0 | 112.9 | A4 V5 T11 L12 | A4-P8 WeakPolarHBondContact O-CD 3.46Å; A4-P8 VanDerWaalsContact O-CG 3.3Å; A4-P8 WeakPolarHBondContact O-CG 3.31Å; V5-P8 WeakPolarHBondContact O-CD 3.38Å; V5-P8 WeakPolarHBondContact O-CG 3.44Å; P8-T11 WeakPolarHBondContact CA-OG1 3.3Å; P8-T11 PolarHBondContact O-N 3.16Å; P8-T11 PolarHBondContact O-OG1 3.34Å; P8-L12 WeakPolarHBondContact O-CB 3.36Å; P8-L12 PolarHBondContact O-N 3.17Å |
| 9 | L | 62.8 | Low | 58.6 | Low | 103 Ų | 103 | 108.9 Ų | 108.9 | 54% | 0.539 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -64.3 | -38.7 | 176.3 | -82.4 | 165 | 0 | 0 | 0 | 112.6 | V5 L7 L12 A13 | V5-L9 HydrophobicContact CG1-CD1 3.85Å; V5-L9 WeakPolarHBondContact O-CD1 3.34Å; V5-L9 WeakPolarHBondContact O-CG 3.39Å; V5-L9 PolarHBondContact O-N 3.06Å; L7-L9 PolarHBondContact O-N 3.12Å; L9-L12 PolarHBondContact O-N 3.06Å; L9-A13 VanDerWaalsContact O-CB 3.31Å; L9-A13 WeakPolarHBondContact O-CB 3.5Å; L9-A13 PolarHBondContact O-N 3.49Å |
| 10 | V | 66.9 | Low | 58.6 | Low | 84 Ų | 84 | 106.3 Ų | 106.3 | 51% | 0.509 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -68.9 | -42.2 | 176 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | T6 L7 L12 A13 L14 | T6-V10 VanDerWaalsContact O-CG2 3.27Å; T6-V10 WeakPolarHBondContact O-CG2 3.15Å; T6-V10 PolarHBondContact O-N 3.46Å; L7-V10 PolarHBondContact O-N 2.96Å; V10-L12 VanDerWaalsContact C-N 3.34Å; V10-L12 PolarHBondContact O-N 3.47Å; V10-A13 PolarHBondContact O-N 3.11Å; V10-L14 HydrophobicContact CG1-CD1 3.95Å; V10-L14 WeakPolarHBondContact O-CB 3.35Å; V10-L14 VanDerWaalsContact O-CG 3.26Å; V10-L14 WeakPolarHBondContact O-CG 3.48Å; V10-L14 PolarHBondContact O-N 2.83Å |
| 11 | T | 64.7 | Low | 58.8 | Low | 80 Ų | 80 | 105.4 Ų | 105.4 | 49% | 0.491 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -63.9 | -36.8 | 172.7 | 30.1 | 0 | 0 | 0 | 0 | 112.9 | L7 P8 L14 Y15 | L7-T11 PolarHBondContact O-N 3.15Å; L7-T11 VanDerWaalsContact O-N 3.12Å; L7-T11 PolarHBondContact O-OG1 2.94Å; P8-T11 WeakPolarHBondContact CA-OG1 3.3Å; P8-T11 PolarHBondContact O-N 3.16Å; P8-T11 PolarHBondContact O-OG1 3.34Å; T11-L14 PolarHBondContact O-N 2.7Å; T11-Y15 WeakPolarHBondContact O-CB 3.27Å; T11-Y15 PolarHBondContact O-N 3.02Å |
| 12 | L | 62 | Low | 59.8 | Low | 108 Ų | 108 | 103.3 Ų | 103.3 | 57% | 0.565 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -70.6 | -41.7 | 177 | -166.3 | 70.9 | 0 | 0 | 0 | 111.1 | P8 L9 V10 L14 Y15 C16 | P8-L12 WeakPolarHBondContact O-CB 3.36Å; P8-L12 PolarHBondContact O-N 3.17Å; L9-L12 PolarHBondContact O-N 3.06Å; V10-L12 VanDerWaalsContact C-N 3.34Å; V10-L12 PolarHBondContact O-N 3.47Å; L12-L14 VanDerWaalsContact C-N 3.32Å; L12-L14 PolarHBondContact O-N 3.12Å; L12-Y15 PolarHBondContact O-N 2.82Å; L12-C16 VanDerWaalsContact O-CB 3.23Å; L12-C16 WeakPolarHBondContact O-CB 3.23Å; L12-C16 PolarHBondContact O-N 3.15Å; L12-C16 PolarHBondContact O-SG 2.95Å |
| 13 | A | 64.5 | Low | 60.9 | Low | 55 Ų | 55 | 97.2 Ų | 97.2 | 46% | 0.455 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -60.2 | -42.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L9 V10 S17 | L9-A13 VanDerWaalsContact O-CB 3.31Å; L9-A13 WeakPolarHBondContact O-CB 3.5Å; L9-A13 PolarHBondContact O-N 3.49Å; V10-A13 PolarHBondContact O-N 3.11Å; A13-S17 WeakPolarHBondContact O-CB 3.22Å; A13-S17 PolarHBondContact O-N 3.22Å; A13-S17 PolarHBondContact O-OG 3.23Å |
| 14 | L | 59.4 | Low | 62.4 | Low | 107 Ų | 107 | 93 Ų | 93 | 56% | 0.56 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -67.1 | -41.3 | 175.6 | -70.4 | 166.9 | 0 | 0 | 0 | 112.3 | V10 T11 L12 S17 S18 | V10-L14 HydrophobicContact CG1-CD1 3.95Å; V10-L14 WeakPolarHBondContact O-CB 3.35Å; V10-L14 VanDerWaalsContact O-CG 3.26Å; V10-L14 WeakPolarHBondContact O-CG 3.48Å; V10-L14 PolarHBondContact O-N 2.83Å; T11-L14 PolarHBondContact O-N 2.7Å; L12-L14 VanDerWaalsContact C-N 3.32Å; L12-L14 PolarHBondContact O-N 3.12Å; L14-S17 PolarHBondContact O-N 2.72Å; L14-S18 PolarHBondContact O-N 3.34Å; L14-S18 PolarHBondContact O-OG 2.86Å; L14-S18 VanDerWaalsContact O-OG 3.13Å |
| 15 | Y | 55.6 | Low | 63.7 | Low | 191 Ų | 191 | 94.3 Ų | 94.3 | 75% | 0.749 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -68.8 | -35.7 | 176.1 | -112.7 | -94.5 | 0 | 0 | 0 | 113.2 | T11 L12 S18 A19 | T11-Y15 WeakPolarHBondContact O-CB 3.27Å; T11-Y15 PolarHBondContact O-N 3.02Å; L12-Y15 PolarHBondContact O-N 2.82Å; Y15-S18 PolarHBondContact O-N 3.49Å; Y15-A19 PolarHBondContact O-N 3.36Å |
| 16 | C | 54.7 | Low | 65.2 | Low | 89 Ų | 89 | 92.7 Ų | 92.7 | 60% | 0.601 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -76.6 | -24.5 | 176.5 | -69.5 | 0 | 0 | 0 | 0 | 112.5 | L12 S18 | L12-C16 VanDerWaalsContact O-CB 3.23Å; L12-C16 WeakPolarHBondContact O-CB 3.23Å; L12-C16 PolarHBondContact O-N 3.15Å; L12-C16 PolarHBondContact O-SG 2.95Å; C16-S18 VanDerWaalsContact C-N 3.25Å |
| 17 | S | 55.5 | Low | 66.5 | Low | 101 Ų | 101 | 94.5 Ų | 94.5 | 71% | 0.706 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -71 | -24.2 | 173.8 | -57.7 | 0 | 0 | 0 | 0 | 112.3 | A13 L14 | A13-S17 WeakPolarHBondContact O-CB 3.22Å; A13-S17 PolarHBondContact O-N 3.22Å; A13-S17 PolarHBondContact O-OG 3.23Å; L14-S17 PolarHBondContact O-N 2.72Å |
| 18 | S | 51 | Low | 67.9 | Low | 86 Ų | 86 | 91.9 Ų | 91.9 | 60% | 0.601 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -110.4 | 7.3 | -175.8 | -45.6 | 0 | 0 | 0 | 0 | 113.4 | L14 Y15 C16 S20 | L14-S18 PolarHBondContact O-N 3.34Å; L14-S18 PolarHBondContact O-OG 2.86Å; L14-S18 VanDerWaalsContact O-OG 3.13Å; Y15-S18 PolarHBondContact O-N 3.49Å; C16-S18 VanDerWaalsContact C-N 3.25Å; S18-S20 PolarHBondContact O-N 2.67Å |
| 19 | A | 52.7 | Low | 69.3 | Low | 74 Ų | 74 | 95 Ų | 95 | 61% | 0.612 | 55% | 0.547 | S | S | * | . | trans | -73.8 | 74.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108 | Y15 A21 | Y15-A19 PolarHBondContact O-N 3.36Å; A19-A21 PolarHBondContact O-N 3.39Å | ||
| 20 | S | 57.2 | Low | 70.8 | Confident | 55 Ų | 55 | 91.1 Ų | 91.1 | 39% | 0.385 | 53% | 0.527 | S | S | . | . | trans | -59.2 | 105.9 | 162.2 | 178.7 | 0 | 0 | 0 | 0 | 106.5 | S18 E22 C90 N91 | S18-S20 PolarHBondContact O-N 2.67Å; S20-E22 PolarHBondContact O-N 3.27Å; S20-C90 PolarHBondContact OG-O 2.92Å; S20-N91 VanDerWaalsContact CB-OXT 3.28Å; S20-N91 WeakPolarHBondContact CB-OXT 3.44Å | ||
| 21 | A | 63.8 | Low | 72.1 | Confident | 88 Ų | 88 | 88.9 Ų | 88.9 | 73% | 0.727 | 51% | 0.512 | S | S | * | . | trans | -68.5 | 111.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 105.5 | A19 V23 | A19-A21 PolarHBondContact O-N 3.39Å; A21-V23 PolarHBondContact O-N 3.19Å | ||
| 22 | E | 72.6 | Confident | 73.5 | Confident | 180 Ų | 180 | 90.1 Ų | 90.1 | 84% | 0.841 | 51% | 0.512 | S | S | * | . | trans | -45 | 137.6 | 170.9 | -70.6 | -178.6 | 160.8 | 0 | 0 | 109.4 | S20 C24 | S20-E22 PolarHBondContact O-N 3.27Å; E22-C24 PolarHBondContact O-N 2.98Å | ||
| 23 | V | 77.8 | Confident | 75.2 | Confident | 60 Ų | 60 | 85 Ų | 85 | 36% | 0.364 | 49% | 0.486 | S | S | . | . | trans | -57.9 | 130.7 | 179.1 | 172.6 | 0 | 0 | 0 | 0 | 109.2 | A21 P25 F27 L28 D85 | A21-V23 PolarHBondContact O-N 3.19Å; V23-P25 VanDerWaalsContact O-CD 3.28Å; V23-P25 WeakPolarHBondContact O-CD 3.5Å; V23-P25 VanDerWaalsContact O-N 3.15Å; V23-F27 HydrophobicContact CG1-CD1 4.21Å; V23-L28 HydrophobicContact CG1-CD1 4.27Å; V23-L28 HydrophobicContact CG1-CD2 3.71Å; V23-L28 HydrophobicContact CG1-CG 3.77Å; V23-D85 WeakPolarHBondContact CB-OD1 3.42Å; V23-D85 WeakPolarHBondContact CG2-OD1 3.29Å | ||
| 24 | C | 85.8 | Confident | 76.7 | Confident | 61 Ų | 61 | 83.6 Ų | 83.6 | 41% | 0.412 | 47% | 0.471 | S | S | . | . | trans | -54.5 | 118.7 | -178.7 | 175.6 | 0 | 0 | 0 | 0 | 110.7 | E22 T26 F27 L28 | E22-C24 PolarHBondContact O-N 2.98Å; C24-T26 PolarHBondContact O-N 2.89Å; C24-T26 VanDerWaalsContact O-N 3.16Å; C24-F27 HydrophobicContact CB-CB 3.94Å; C24-F27 WeakPolarHBondContact O-CA 3.35Å; C24-F27 WeakPolarHBondContact O-CB 3.45Å; C24-F27 PolarHBondContact O-N 2.91Å; C24-L28 PolarHBondContact O-N 3.37Å; C24-L28 VanDerWaalsContact O-N 3.12Å | ||
| 25 | P | 86.4 | Confident | 78.5 | Confident | 102 Ų | 102 | 78.8 Ų | 78.8 | 66% | 0.662 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -58.3 | -33.3 | -179.3 | -27.1 | 35.2 | 0 | 0 | 0 | 113.2 | V23 F27 L28 R29 | V23-P25 VanDerWaalsContact O-CD 3.28Å; V23-P25 WeakPolarHBondContact O-CD 3.5Å; V23-P25 VanDerWaalsContact O-N 3.15Å; P25-F27 VanDerWaalsContact C-N 3.31Å; P25-F27 PolarHBondContact O-N 3.15Å; P25-L28 PolarHBondContact O-N 3.18Å; P25-R29 PolarHBondContact O-N 3.46Å |
| 26 | T | 89.9 | Confident | 80.4 | Confident | 54 Ų | 54 | 72.9 Ų | 72.9 | 33% | 0.331 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.4 | -35.2 | 175.9 | -46.9 | 0 | 0 | 0 | 0 | 111.5 | C24 R29 V30 F49 | C24-T26 PolarHBondContact O-N 2.89Å; C24-T26 VanDerWaalsContact O-N 3.16Å; T26-R29 PolarHBondContact O-N 3.06Å; T26-V30 WeakPolarHBondContact O-CG2 3.37Å; T26-V30 PolarHBondContact O-N 3.44Å; T26-V30 VanDerWaalsContact O-N 3.15Å; T26-F49 HydrophobicContact CG2-CE2 3.69Å; T26-F49 HydrophobicContact CG2-CZ 3.49Å; T26-F49 VanDerWaalsContact CG2-CZ 3.49Å |
| 27 | F | 89.9 | Confident | 82.3 | Confident | 109 Ų | 109 | 72.3 Ų | 72.3 | 48% | 0.478 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -68.5 | -40.6 | 175 | -178.5 | -114.7 | 0 | 0 | 0 | 111.6 | V23 C24 P25 R29 V30 I31 | V23-F27 HydrophobicContact CG1-CD1 4.21Å; C24-F27 HydrophobicContact CB-CB 3.94Å; C24-F27 WeakPolarHBondContact O-CA 3.35Å; C24-F27 WeakPolarHBondContact O-CB 3.45Å; C24-F27 PolarHBondContact O-N 2.91Å; P25-F27 VanDerWaalsContact C-N 3.31Å; P25-F27 PolarHBondContact O-N 3.15Å; F27-R29 VanDerWaalsContact C-N 3.3Å; F27-R29 PolarHBondContact O-N 3.29Å; F27-V30 WeakPolarHBondContact O-CB 3.34Å; F27-V30 PolarHBondContact O-N 3.34Å; F27-V30 VanDerWaalsContact O-N 3.08Å; F27-I31 HydrophobicContact CD1-CD1 4.05Å; F27-I31 HydrophobicContact CE1-CD1 3.5Å; F27-I31 HydrophobicContact CE1-CG1 4.31Å; F27-I31 HydrophobicContact CE2-CD1 4.5Å; F27-I31 HydrophobicContact CZ-CD1 3.76Å; F27-I31 HydrophobicContact CZ-CG1 4.23Å; F27-I31 PolarHBondContact O-N 3.49Å |
| 28 | L | 89.9 | Confident | 84.3 | Confident | 74 Ų | 74 | 70.8 Ų | 70.8 | 39% | 0.387 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -58.2 | -42.7 | 173.2 | -66.7 | 176.3 | 0 | 0 | 0 | 111.7 | V23 C24 P25 V30 I31 E32 | V23-L28 HydrophobicContact CG1-CD1 4.27Å; V23-L28 HydrophobicContact CG1-CD2 3.71Å; V23-L28 HydrophobicContact CG1-CG 3.77Å; C24-L28 PolarHBondContact O-N 3.37Å; C24-L28 VanDerWaalsContact O-N 3.12Å; P25-L28 PolarHBondContact O-N 3.18Å; L28-V30 VanDerWaalsContact C-N 3.32Å; L28-V30 PolarHBondContact O-N 3.47Å; L28-I31 PolarHBondContact O-N 3.08Å; L28-E32 WeakPolarHBondContact O-CB 3.44Å; L28-E32 PolarHBondContact O-N 2.9Å |
| 29 | R | 91.9 | Very high | 86.4 | Confident | 133 Ų | 133 | 70.1 Ų | 70.1 | 50% | 0.502 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.3 | -39.5 | 174.5 | -169.2 | -153.9 | -79.8 | 173.9 | -6.7 | 112.2 | P25 T26 F27 E32 S33 | P25-R29 PolarHBondContact O-N 3.46Å; T26-R29 PolarHBondContact O-N 3.06Å; F27-R29 VanDerWaalsContact C-N 3.3Å; F27-R29 PolarHBondContact O-N 3.29Å; R29-E32 PolarHBondContact O-N 3.12Å; R29-S33 WeakPolarHBondContact O-CB 3.41Å; R29-S33 PolarHBondContact O-N 2.98Å; R29-S33 PolarHBondContact O-OG 3.41Å; R29-S33 VanDerWaalsContact O-OG 3.09Å |
| 30 | V | 95.1 | Very high | 88.5 | Confident | 22 Ų | 22 | 70.2 Ų | 70.2 | 13% | 0.133 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 176.3 | 173.7 | 0 | 0 | 0 | 0 | 110.7 | T26 F27 L28 S33 L34 F42 A45 M46 F49 | T26-V30 WeakPolarHBondContact O-CG2 3.37Å; T26-V30 PolarHBondContact O-N 3.44Å; T26-V30 VanDerWaalsContact O-N 3.15Å; F27-V30 WeakPolarHBondContact O-CB 3.34Å; F27-V30 PolarHBondContact O-N 3.34Å; F27-V30 VanDerWaalsContact O-N 3.08Å; L28-V30 VanDerWaalsContact C-N 3.32Å; L28-V30 PolarHBondContact O-N 3.47Å; V30-S33 PolarHBondContact O-N 2.83Å; V30-S33 PolarHBondContact O-OG 2.93Å; V30-L34 WeakPolarHBondContact O-CB 3.5Å; V30-L34 PolarHBondContact O-N 3.25Å; V30-F42 HydrophobicContact CG1-CD2 4.49Å; V30-F42 HydrophobicContact CG1-CE2 3.85Å; V30-A45 HydrophobicContact CG2-CB 4.12Å; V30-M46 HydrophobicContact CG1-CG 4.21Å; V30-F49 HydrophobicContact CG2-CD2 4.45Å; V30-F49 HydrophobicContact CG2-CE2 3.79Å |
| 31 | I | 94.1 | Very high | 90.3 | Very high | 37 Ų | 37 | 70.1 Ų | 70.1 | 19% | 0.19 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64.1 | -41.7 | 176.4 | -65.7 | -179.9 | 0 | 0 | 0 | 111.6 | F27 L28 L34 C35 M81 | F27-I31 HydrophobicContact CD1-CD1 4.05Å; F27-I31 HydrophobicContact CE1-CD1 3.5Å; F27-I31 HydrophobicContact CE1-CG1 4.31Å; F27-I31 HydrophobicContact CE2-CD1 4.5Å; F27-I31 HydrophobicContact CZ-CD1 3.76Å; F27-I31 HydrophobicContact CZ-CG1 4.23Å; F27-I31 PolarHBondContact O-N 3.49Å; L28-I31 PolarHBondContact O-N 3.08Å; I31-L34 WeakPolarHBondContact O-CB 3.28Å; I31-L34 PolarHBondContact O-N 3.04Å; I31-C35 PolarHBondContact O-N 3.49Å; I31-C35 PolarHBondContact O-SG 3Å; I31-M81 HydrophobicContact CG2-CG 4.22Å |
| 32 | E | 94.4 | Very high | 91.9 | Very high | 106 Ų | 106 | 66.3 Ų | 66.3 | 50% | 0.495 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.9 | -50.5 | 178 | -171.4 | 176.8 | -167.1 | 0 | 0 | 110.9 | L28 R29 L34 C35 L36 | L28-E32 WeakPolarHBondContact O-CB 3.44Å; L28-E32 PolarHBondContact O-N 2.9Å; R29-E32 PolarHBondContact O-N 3.12Å; E32-L34 VanDerWaalsContact C-N 3.29Å; E32-L34 PolarHBondContact O-N 3.04Å; E32-C35 PolarHBondContact O-N 3.38Å; E32-L36 HydrophobicContact CG-CD1 3.97Å; E32-L36 PolarHBondContact O-N 3.44Å |
| 33 | S | 96.6 | Very high | 93 | Very high | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.007 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.4 | -33.2 | 178.3 | 65.5 | 0 | 0 | 0 | 0 | 113.1 | R29 V30 C35 D37 K63 | R29-S33 WeakPolarHBondContact O-CB 3.41Å; R29-S33 PolarHBondContact O-N 2.98Å; R29-S33 PolarHBondContact O-OG 3.41Å; R29-S33 VanDerWaalsContact O-OG 3.09Å; V30-S33 PolarHBondContact O-N 2.83Å; V30-S33 PolarHBondContact O-OG 2.93Å; S33-C35 VanDerWaalsContact C-N 3.26Å; S33-C35 PolarHBondContact O-N 3.06Å; S33-D37 VanDerWaalsContact CA-OD2 3.3Å; S33-D37 WeakPolarHBondContact CA-OD2 3.28Å; S33-D37 WeakPolarHBondContact CB-OD2 3.32Å; S33-D37 PolarHBondContact O-N 3.27Å; S33-D37 VanDerWaalsContact O-N 3.12Å; S33-K63 PolarHBondContact O-NZ 2.95Å |
| 34 | L | 97.4 | Very high | 93.8 | Very high | 26 Ų | 26 | 64.1 Ų | 64.1 | 14% | 0.136 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -57.3 | -42.1 | 172 | 176.5 | 58.9 | 0 | 0 | 0 | 111.2 | V30 I31 E32 F42 L62 K63 V66 | V30-L34 WeakPolarHBondContact O-CB 3.5Å; V30-L34 PolarHBondContact O-N 3.25Å; I31-L34 WeakPolarHBondContact O-CB 3.28Å; I31-L34 PolarHBondContact O-N 3.04Å; E32-L34 VanDerWaalsContact C-N 3.29Å; E32-L34 PolarHBondContact O-N 3.04Å; L34-F42 HydrophobicContact CB-CD2 3.83Å; L34-F42 HydrophobicContact CB-CE2 3.68Å; L34-F42 HydrophobicContact CB-CZ 4.48Å; L34-F42 HydrophobicContact CD1-CD2 4.32Å; L34-F42 HydrophobicContact CD1-CE1 4.26Å; L34-F42 HydrophobicContact CD1-CE2 3.91Å; L34-F42 HydrophobicContact CD1-CZ 3.86Å; L34-F42 HydrophobicContact CG-CE2 4.28Å; L34-L62 HydrophobicContact CD1-CD2 4.39Å; L34-L62 HydrophobicContact CD1-CG 4.19Å; L34-L62 HydrophobicContact CD2-CD2 3.87Å; L34-L62 HydrophobicContact CD2-CG 4.35Å; L34-K63 HydrophobicContact CD1-CB 4.05Å; L34-K63 HydrophobicContact CD1-CD 3.96Å; L34-K63 VanDerWaalsContact O-CD 3.29Å; L34-K63 WeakPolarHBondContact O-CD 3.04Å; L34-K63 PolarHBondContact O-NZ 3.35Å; L34-V66 HydrophobicContact CD1-CB 4.39Å; L34-V66 HydrophobicContact CD1-CG2 4.11Å; L34-V66 HydrophobicContact CG-CG2 4.25Å; L34-V66 WeakPolarHBondContact O-CG1 3.37Å |
| 35 | C | 96.7 | Very high | 94.2 | Very high | 5 Ų | 5 | 61.5 Ų | 61.5 | 3% | 0.034 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -90.6 | -31.2 | -173.5 | -63.6 | 0 | 0 | 0 | 0 | 114.3 | I31 E32 S33 R74 I78 | I31-C35 PolarHBondContact O-N 3.49Å; I31-C35 PolarHBondContact O-SG 3Å; E32-C35 PolarHBondContact O-N 3.38Å; S33-C35 VanDerWaalsContact C-N 3.26Å; S33-C35 PolarHBondContact O-N 3.06Å; C35-R74 HydrophobicContact CB-CB 4.49Å; C35-R74 VanDerWaalsContact O-CD 3.22Å; C35-R74 WeakPolarHBondContact O-CD 3.47Å; C35-R74 PolarHBondContact O-NE 3.49Å; C35-R74 VanDerWaalsContact O-NE 3.1Å; C35-I78 HydrophobicContact CB-CD1 3.63Å; C35-I78 HydrophobicContact CB-CG1 3.66Å |
| 36 | L | 95.3 | Very high | 94.6 | Very high | 68 Ų | 68 | 57.9 Ų | 57.9 | 36% | 0.356 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -114.4 | -32.6 | -170.1 | -59.3 | -176.5 | 0 | 0 | 0 | 114.8 | E32 I78 | E32-L36 HydrophobicContact CG-CD1 3.97Å; E32-L36 PolarHBondContact O-N 3.44Å; L36-I78 HydrophobicContact CD1-CD1 3.51Å; L36-I78 HydrophobicContact CD2-CD1 3.45Å; L36-I78 VanDerWaalsContact CD2-CD1 3.45Å; L36-I78 HydrophobicContact CG-CD1 3.3Å |
| 37 | D | 94.9 | Very high | 94.7 | Very high | 76 Ų | 76 | 57.3 Ų | 57.3 | 41% | 0.406 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -92.8 | 179.5 | -167.5 | -64.4 | -24.1 | 0 | 0 | 0 | 112.9 | S33 K63 | S33-D37 VanDerWaalsContact CA-OD2 3.3Å; S33-D37 WeakPolarHBondContact CA-OD2 3.28Å; S33-D37 WeakPolarHBondContact CB-OD2 3.32Å; S33-D37 PolarHBondContact O-N 3.27Å; S33-D37 VanDerWaalsContact O-N 3.12Å; D37-K63 VanDerWaalsContact O-CE 3.23Å; D37-K63 WeakPolarHBondContact O-CE 3.43Å; D37-K63 PolarHBondContact O-NZ 2.99Å |
| 38 | T | 96.3 | Very high | 94.8 | Very high | 70 Ų | 70 | 58.7 Ų | 58.7 | 43% | 0.429 | 33% | 0.325 | S | S | . | . | trans | -71.5 | 156.8 | 172.3 | 64.1 | 0 | 0 | 0 | 0 | 111.6 | S40 S41 F42 | T38-S40 PolarHBondContact O-N 3.16Å; T38-S40 PolarHBondContact OG1-OG 3.12Å; T38-S41 PolarHBondContact O-N 3.07Å; T38-S41 PolarHBondContact OG1-N 3.4Å; T38-S41 PolarHBondContact OG1-OG 3.09Å; T38-F42 PolarHBondContact O-N 2.96Å | ||
| 39 | P | 96.4 | Very high | 95.1 | Very high | 72 Ų | 72 | 60.4 Ų | 60.4 | 47% | 0.468 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -52 | -39.9 | 172.9 | -29.2 | 35.7 | 0 | 0 | 0 | 114 | S41 F42 E43 K63 | P39-S41 PolarHBondContact O-N 3.39Å; P39-F42 PolarHBondContact O-N 2.88Å; P39-E43 WeakPolarHBondContact O-CB 3.46Å; P39-E43 PolarHBondContact O-N 2.89Å; P39-K63 HydrophobicContact CB-CG 4.29Å; P39-K63 HydrophobicContact CG-CG 4.31Å |
| 40 | S | 95.8 | Very high | 95.3 | Very high | 75 Ų | 75 | 59.1 Ų | 59.1 | 52% | 0.524 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.8 | -37.6 | 177.4 | 54.3 | 0 | 0 | 0 | 0 | 113.5 | T38 A44 | T38-S40 PolarHBondContact O-N 3.16Å; T38-S40 PolarHBondContact OG1-OG 3.12Å; S40-A44 WeakPolarHBondContact O-CB 3.47Å; S40-A44 PolarHBondContact O-N 2.91Å |
| 41 | S | 95.8 | Very high | 95.3 | Very high | 53 Ų | 53 | 59.9 Ų | 59.9 | 37% | 0.371 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -71.4 | -38.9 | 178.2 | -56.5 | 0 | 0 | 0 | 0 | 110.9 | T38 P39 A44 A45 | T38-S41 PolarHBondContact O-N 3.07Å; T38-S41 PolarHBondContact OG1-N 3.4Å; T38-S41 PolarHBondContact OG1-OG 3.09Å; P39-S41 PolarHBondContact O-N 3.39Å; S41-A44 PolarHBondContact O-N 3.48Å; S41-A45 WeakPolarHBondContact O-CB 3.42Å; S41-A45 PolarHBondContact O-N 3.33Å |
| 42 | F | 96.9 | Very high | 95.5 | Very high | 8 Ų | 8 | 62 Ų | 62 | 4% | 0.035 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 172.7 | 172.5 | -111.1 | 0 | 0 | 0 | 112.1 | V30 L34 T38 P39 A44 A45 M46 G59 K63 | V30-F42 HydrophobicContact CG1-CD2 4.49Å; V30-F42 HydrophobicContact CG1-CE2 3.85Å; L34-F42 HydrophobicContact CB-CD2 3.83Å; L34-F42 HydrophobicContact CB-CE2 3.68Å; L34-F42 HydrophobicContact CB-CZ 4.48Å; L34-F42 HydrophobicContact CD1-CD2 4.32Å; L34-F42 HydrophobicContact CD1-CE1 4.26Å; L34-F42 HydrophobicContact CD1-CE2 3.91Å; L34-F42 HydrophobicContact CD1-CZ 3.86Å; L34-F42 HydrophobicContact CG-CE2 4.28Å; T38-F42 PolarHBondContact O-N 2.96Å; P39-F42 PolarHBondContact O-N 2.88Å; F42-A44 VanDerWaalsContact C-N 3.35Å; F42-A44 PolarHBondContact O-N 3.15Å; F42-A45 WeakPolarHBondContact O-CB 3.43Å; F42-A45 PolarHBondContact O-N 3.08Å; F42-A45 VanDerWaalsContact O-N 3.15Å; F42-M46 HydrophobicContact CD1-CE 3.67Å; F42-M46 HydrophobicContact CD1-SD 4.29Å; F42-M46 HydrophobicContact CD2-CG 4.43Å; F42-M46 HydrophobicContact CE1-CE 3.24Å; F42-M46 HydrophobicContact CE1-CG 4.29Å; F42-M46 HydrophobicContact CE1-SD 3.46Å; F42-M46 WeakPolarHBondContact CE1-SD 3.4Å; F42-M46 HydrophobicContact CE2-CG 3.95Å; F42-M46 HydrophobicContact CE2-SD 3.96Å; F42-M46 HydrophobicContact CG-CE 4.49Å; F42-M46 HydrophobicContact CZ-CE 3.75Å; F42-M46 HydrophobicContact CZ-CG 3.88Å; F42-M46 HydrophobicContact CZ-SD 3.26Å; F42-M46 WeakPolarHBondContact CZ-SD 3.42Å; F42-M46 WeakPolarHBondContact O-CG 2.99Å; F42-M46 PolarHBondContact O-N 3.39Å; F42-G59 WeakPolarHBondContact CE1-O 3.47Å; F42-K63 HydrophobicContact CB-CD 4.35Å; F42-K63 HydrophobicContact CB-CG 4.48Å; F42-K63 HydrophobicContact CD1-CB 3.71Å; F42-K63 HydrophobicContact CD1-CD 4.29Å; F42-K63 HydrophobicContact CD1-CG 3.88Å; F42-K63 HydrophobicContact CE1-CB 3.85Å; F42-K63 HydrophobicContact CG-CD 4.31Å; F42-K63 HydrophobicContact CG-CG 4.36Å |
| 43 | E | 95.2 | Very high | 95.6 | Very high | 134 Ų | 134 | 64.2 Ų | 64.2 | 63% | 0.626 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -60.2 | -43.9 | 175 | -171.9 | 178.6 | 174.3 | 0 | 0 | 111.7 | P39 A45 M46 G47 | P39-E43 WeakPolarHBondContact O-CB 3.46Å; P39-E43 PolarHBondContact O-N 2.89Å; E43-A45 VanDerWaalsContact C-N 3.32Å; E43-A45 PolarHBondContact O-N 3.36Å; E43-M46 PolarHBondContact O-N 3.04Å; E43-G47 PolarHBondContact O-N 3.49Å |
| 44 | A | 94.6 | Very high | 95.7 | Very high | 61 Ų | 61 | 70 Ų | 70 | 50% | 0.504 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.5 | -37.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S40 S41 F42 G47 F48 | S40-A44 WeakPolarHBondContact O-CB 3.47Å; S40-A44 PolarHBondContact O-N 2.91Å; S41-A44 PolarHBondContact O-N 3.48Å; F42-A44 VanDerWaalsContact C-N 3.35Å; F42-A44 PolarHBondContact O-N 3.15Å; A44-G47 PolarHBondContact O-N 3.4Å; A44-F48 WeakPolarHBondContact O-CD2 3.36Å; A44-F48 WeakPolarHBondContact O-CE2 3.29Å |
| 45 | A | 95 | Very high | 95.7 | Very high | 5 Ų | 5 | 74.2 Ų | 74.2 | 4% | 0.041 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -67 | -37.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V30 S41 F42 E43 F48 | V30-A45 HydrophobicContact CG2-CB 4.12Å; S41-A45 WeakPolarHBondContact O-CB 3.42Å; S41-A45 PolarHBondContact O-N 3.33Å; F42-A45 WeakPolarHBondContact O-CB 3.43Å; F42-A45 PolarHBondContact O-N 3.08Å; F42-A45 VanDerWaalsContact O-N 3.15Å; E43-A45 VanDerWaalsContact C-N 3.32Å; E43-A45 PolarHBondContact O-N 3.36Å; A45-F48 WeakPolarHBondContact O-CD2 3.4Å |
| 46 | M | 94.8 | Very high | 95.7 | Very high | 26 Ų | 26 | 76 Ų | 76 | 13% | 0.128 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -70.3 | -33 | 173.2 | -69.5 | -169 | -62.5 | 0 | 0 | 112.4 | V30 F42 E43 F48 F49 P51 | V30-M46 HydrophobicContact CG1-CG 4.21Å; F42-M46 HydrophobicContact CD1-CE 3.67Å; F42-M46 HydrophobicContact CD1-SD 4.29Å; F42-M46 HydrophobicContact CD2-CG 4.43Å; F42-M46 HydrophobicContact CE1-CE 3.24Å; F42-M46 HydrophobicContact CE1-CG 4.29Å; F42-M46 HydrophobicContact CE1-SD 3.46Å; F42-M46 WeakPolarHBondContact CE1-SD 3.4Å; F42-M46 HydrophobicContact CE2-CG 3.95Å; F42-M46 HydrophobicContact CE2-SD 3.96Å; F42-M46 HydrophobicContact CG-CE 4.49Å; F42-M46 HydrophobicContact CZ-CE 3.75Å; F42-M46 HydrophobicContact CZ-CG 3.88Å; F42-M46 HydrophobicContact CZ-SD 3.26Å; F42-M46 WeakPolarHBondContact CZ-SD 3.42Å; F42-M46 WeakPolarHBondContact O-CG 2.99Å; F42-M46 PolarHBondContact O-N 3.39Å; E43-M46 PolarHBondContact O-N 3.04Å; M46-F48 PolarHBondContact O-N 3.38Å; M46-F49 PolarHBondContact O-N 2.9Å; M46-P51 HydrophobicContact CB-CG 4.49Å; M46-P51 WeakPolarHBondContact O-CD 3.31Å |
| 47 | G | 92.6 | Very high | 95.9 | Very high | 43 Ų | 43 | 77.8 Ų | 77.8 | 44% | 0.443 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -56 | -25.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | E43 A44 F49 S50 | E43-G47 PolarHBondContact O-N 3.49Å; A44-G47 PolarHBondContact O-N 3.4Å; G47-F49 PolarHBondContact O-N 3.21Å; G47-F49 VanDerWaalsContact O-N 3.14Å; G47-S50 PolarHBondContact O-N 2.9Å; G47-S50 VanDerWaalsContact O-N 3.16Å |
| 48 | F | 91.8 | Very high | 96 | Very high | 138 Ų | 138 | 77 Ų | 77 | 61% | 0.605 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -19.8 | 173.9 | -70.5 | -79 | 0 | 0 | 0 | 114 | A44 A45 M46 | A44-F48 WeakPolarHBondContact O-CD2 3.36Å; A44-F48 WeakPolarHBondContact O-CE2 3.29Å; A45-F48 WeakPolarHBondContact O-CD2 3.4Å; M46-F48 PolarHBondContact O-N 3.38Å |
| 49 | F | 95 | Very high | 96.1 | Very high | 110 Ų | 110 | 74.1 Ų | 74.1 | 48% | 0.482 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 2.6 | -178.4 | -60.4 | -84.3 | 0 | 0 | 0 | 113.2 | T26 V30 M46 G47 | T26-F49 HydrophobicContact CG2-CE2 3.69Å; T26-F49 HydrophobicContact CG2-CZ 3.49Å; T26-F49 VanDerWaalsContact CG2-CZ 3.49Å; V30-F49 HydrophobicContact CG2-CD2 4.45Å; V30-F49 HydrophobicContact CG2-CE2 3.79Å; M46-F49 PolarHBondContact O-N 2.9Å; G47-F49 PolarHBondContact O-N 3.21Å; G47-F49 VanDerWaalsContact O-N 3.14Å |
| 50 | S | 95.8 | Very high | 96.1 | Very high | 106 Ų | 106 | 72.7 Ų | 72.7 | 74% | 0.741 | 42% | 0.421 | S | S | * | . | trans | 48.4 | 53.7 | -178.4 | -56.2 | 0 | 0 | 0 | 0 | 113.3 | G47 | G47-S50 PolarHBondContact O-N 2.9Å; G47-S50 VanDerWaalsContact O-N 3.16Å | ||
| 51 | P | 96.4 | Very high | 96.2 | Very high | 38 Ų | 38 | 74.3 Ų | 74.3 | 25% | 0.247 | 42% | 0.42 | C | S | . | . | trans | -60.2 | 146 | 178 | 27.8 | -35.2 | 0 | 0 | 0 | 110.5 | M46 M55 S56 | M46-P51 HydrophobicContact CB-CG 4.49Å; M46-P51 WeakPolarHBondContact O-CD 3.31Å; P51-M55 HydrophobicContact CB-CB 3.78Å; P51-S56 WeakPolarHBondContact CG-OG 3.43Å | ||
| 52 | D | 98 | Very high | 96.3 | Very high | 82 Ų | 82 | 76 Ų | 76 | 44% | 0.439 | 43% | 0.425 | S | S | . | . | trans | -69.9 | 177.6 | 168.1 | 65.1 | 42.5 | 0 | 0 | 0 | 111.2 | D54 M55 S56 | D52-D54 PolarHBondContact O-N 3.2Å; D52-D54 PolarHBondContact OD1-N 3.43Å; D52-D54 VanDerWaalsContact OD1-N 3.09Å; D52-M55 PolarHBondContact O-N 3.06Å; D52-M55 WeakPolarHBondContact OD1-CB 3.42Å; D52-M55 VanDerWaalsContact OD1-CG 3.27Å; D52-M55 WeakPolarHBondContact OD1-CG 3.47Å; D52-M55 PolarHBondContact OD1-N 2.94Å; D52-M55 WeakPolarHBondContact OD2-CE 3.45Å; D52-S56 WeakPolarHBondContact O-CB 3.35Å; D52-S56 PolarHBondContact O-N 3.42Å; D52-S56 PolarHBondContact O-OG 2.87Å | ||
| 53 | Q | 97.1 | Very high | 96.4 | Very high | 152 Ų | 152 | 75.6 Ų | 75.6 | 71% | 0.71 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -62.1 | -43.2 | -176.3 | -177.5 | 174.9 | -19.2 | 0 | 0 | 112.1 | S56 E57 | Q53-S56 PolarHBondContact O-N 3.33Å; Q53-E57 WeakPolarHBondContact O-CB 3.47Å; Q53-E57 PolarHBondContact O-N 3.35Å |
| 54 | D | 98.1 | Very high | 96.5 | Very high | 121 Ų | 121 | 76.2 Ų | 76.2 | 65% | 0.647 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -68.2 | -41.6 | -177.3 | -67.5 | -9.7 | 0 | 0 | 0 | 110.4 | D52 E57 A58 | D52-D54 PolarHBondContact O-N 3.2Å; D52-D54 PolarHBondContact OD1-N 3.43Å; D52-D54 VanDerWaalsContact OD1-N 3.09Å; D54-E57 PolarHBondContact O-N 2.95Å; D54-A58 WeakPolarHBondContact O-CB 3.28Å; D54-A58 PolarHBondContact O-N 2.67Å |
| 55 | M | 97.8 | Very high | 96.7 | Very high | 116 Ų | 116 | 78.8 Ų | 78.8 | 57% | 0.571 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -61.4 | -43.4 | 173.7 | -69.5 | -179.8 | -170.3 | 0 | 0 | 111.9 | P51 D52 A58 G59 | P51-M55 HydrophobicContact CB-CB 3.78Å; D52-M55 PolarHBondContact O-N 3.06Å; D52-M55 WeakPolarHBondContact OD1-CB 3.42Å; D52-M55 VanDerWaalsContact OD1-CG 3.27Å; D52-M55 WeakPolarHBondContact OD1-CG 3.47Å; D52-M55 PolarHBondContact OD1-N 2.94Å; D52-M55 WeakPolarHBondContact OD2-CE 3.45Å; M55-A58 PolarHBondContact O-N 3.21Å; M55-G59 PolarHBondContact O-N 3.12Å |
| 56 | S | 96.8 | Very high | 96.8 | Very high | 41 Ų | 41 | 79.4 Ų | 79.4 | 29% | 0.287 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.5 | -43.5 | 179.1 | -59.7 | 0 | 0 | 0 | 0 | 111.5 | P51 D52 Q53 G59 A60 | P51-S56 WeakPolarHBondContact CG-OG 3.43Å; D52-S56 WeakPolarHBondContact O-CB 3.35Å; D52-S56 PolarHBondContact O-N 3.42Å; D52-S56 PolarHBondContact O-OG 2.87Å; Q53-S56 PolarHBondContact O-N 3.33Å; S56-G59 PolarHBondContact O-N 3.19Å; S56-A60 PolarHBondContact O-N 3.34Å |
| 57 | E | 97.9 | Very high | 96.9 | Very high | 106 Ų | 106 | 80.8 Ų | 80.8 | 50% | 0.495 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -66.1 | -43.8 | 178.3 | -174.3 | 167.5 | -175.6 | 0 | 0 | 111.7 | Q53 D54 G59 A60 Q61 | Q53-E57 WeakPolarHBondContact O-CB 3.47Å; Q53-E57 PolarHBondContact O-N 3.35Å; D54-E57 PolarHBondContact O-N 2.95Å; E57-G59 VanDerWaalsContact C-N 3.33Å; E57-G59 PolarHBondContact O-N 3.41Å; E57-A60 PolarHBondContact O-N 3.46Å; E57-Q61 WeakPolarHBondContact O-CG 3.49Å; E57-Q61 PolarHBondContact O-N 2.91Å |
| 58 | A | 98.3 | Very high | 97.2 | Very high | 59 Ų | 59 | 84 Ų | 84 | 49% | 0.488 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59.4 | -43.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | D54 M55 Q61 L62 | D54-A58 WeakPolarHBondContact O-CB 3.28Å; D54-A58 PolarHBondContact O-N 2.67Å; M55-A58 PolarHBondContact O-N 3.21Å; A58-Q61 PolarHBondContact O-N 2.97Å; A58-L62 PolarHBondContact O-N 3.18Å |
| 59 | G | 97.3 | Very high | 97.5 | Very high | 11 Ų | 11 | 80.4 Ų | 80.4 | 11% | 0.113 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -59.2 | -47.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F42 M55 S56 E57 Q61 L62 K63 | F42-G59 WeakPolarHBondContact CE1-O 3.47Å; M55-G59 PolarHBondContact O-N 3.12Å; S56-G59 PolarHBondContact O-N 3.19Å; E57-G59 VanDerWaalsContact C-N 3.33Å; E57-G59 PolarHBondContact O-N 3.41Å; G59-Q61 VanDerWaalsContact C-N 3.34Å; G59-Q61 PolarHBondContact O-N 3.31Å; G59-L62 PolarHBondContact O-N 3.42Å; G59-K63 PolarHBondContact O-N 3.15Å |
| 60 | A | 97.1 | Very high | 97.6 | Very high | 42 Ų | 42 | 79.6 Ų | 79.6 | 35% | 0.347 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.8 | -38.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S56 E57 K63 K64 | S56-A60 PolarHBondContact O-N 3.34Å; E57-A60 PolarHBondContact O-N 3.46Å; A60-K63 PolarHBondContact O-N 3.24Å; A60-K64 WeakPolarHBondContact O-CG 3.36Å; A60-K64 PolarHBondContact O-N 2.93Å; A60-K64 VanDerWaalsContact O-N 3.1Å |
| 61 | Q | 98.4 | Very high | 97.6 | Very high | 108 Ų | 108 | 77.1 Ų | 77.1 | 51% | 0.505 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.8 | -44.7 | 174.4 | -70.3 | 179.9 | 30.3 | 0 | 0 | 111.7 | E57 A58 G59 K63 K64 L65 | E57-Q61 WeakPolarHBondContact O-CG 3.49Å; E57-Q61 PolarHBondContact O-N 2.91Å; A58-Q61 PolarHBondContact O-N 2.97Å; G59-Q61 VanDerWaalsContact C-N 3.34Å; G59-Q61 PolarHBondContact O-N 3.31Å; Q61-K63 VanDerWaalsContact C-N 3.33Å; Q61-K63 PolarHBondContact O-N 3.23Å; Q61-K64 PolarHBondContact O-N 3.1Å; Q61-L65 PolarHBondContact O-N 2.95Å |
| 62 | L | 98.3 | Very high | 97.7 | Very high | 88 Ų | 88 | 83.3 Ų | 83.3 | 46% | 0.461 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -59 | -45.9 | 175.5 | 178.6 | 62.2 | 0 | 0 | 0 | 111.1 | L34 A58 G59 K64 L65 V66 | L34-L62 HydrophobicContact CD1-CD2 4.39Å; L34-L62 HydrophobicContact CD1-CG 4.19Å; L34-L62 HydrophobicContact CD2-CD2 3.87Å; L34-L62 HydrophobicContact CD2-CG 4.35Å; A58-L62 PolarHBondContact O-N 3.18Å; G59-L62 PolarHBondContact O-N 3.42Å; L62-K64 VanDerWaalsContact C-N 3.34Å; L62-K64 PolarHBondContact O-N 3.24Å; L62-L65 WeakPolarHBondContact O-CB 3.26Å; L62-L65 PolarHBondContact O-N 3.41Å; L62-L65 VanDerWaalsContact O-N 3.12Å; L62-V66 HydrophobicContact CD1-CG2 4.27Å; L62-V66 HydrophobicContact CG-CG2 4.43Å; L62-V66 WeakPolarHBondContact O-CG2 3.4Å; L62-V66 PolarHBondContact O-N 3.44Å |
| 63 | K | 98.1 | Very high | 97.7 | Very high | 1 Ų | 1 | 81 Ų | 81 | 0% | 0.004 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -58.2 | -44.9 | 178.2 | 179 | 55.1 | 176 | 158.5 | 0 | 112.2 | S33 L34 D37 P39 F42 G59 A60 Q61 L65 V66 D67 | S33-K63 PolarHBondContact O-NZ 2.95Å; L34-K63 HydrophobicContact CD1-CB 4.05Å; L34-K63 HydrophobicContact CD1-CD 3.96Å; L34-K63 VanDerWaalsContact O-CD 3.29Å; L34-K63 WeakPolarHBondContact O-CD 3.04Å; L34-K63 PolarHBondContact O-NZ 3.35Å; D37-K63 VanDerWaalsContact O-CE 3.23Å; D37-K63 WeakPolarHBondContact O-CE 3.43Å; D37-K63 PolarHBondContact O-NZ 2.99Å; P39-K63 HydrophobicContact CB-CG 4.29Å; P39-K63 HydrophobicContact CG-CG 4.31Å; F42-K63 HydrophobicContact CB-CD 4.35Å; F42-K63 HydrophobicContact CB-CG 4.48Å; F42-K63 HydrophobicContact CD1-CB 3.71Å; F42-K63 HydrophobicContact CD1-CD 4.29Å; F42-K63 HydrophobicContact CD1-CG 3.88Å; F42-K63 HydrophobicContact CE1-CB 3.85Å; F42-K63 HydrophobicContact CG-CD 4.31Å; F42-K63 HydrophobicContact CG-CG 4.36Å; G59-K63 PolarHBondContact O-N 3.15Å; A60-K63 PolarHBondContact O-N 3.24Å; Q61-K63 VanDerWaalsContact C-N 3.33Å; Q61-K63 PolarHBondContact O-N 3.23Å; K63-L65 VanDerWaalsContact C-N 3.29Å; K63-L65 PolarHBondContact O-N 2.93Å; K63-V66 PolarHBondContact O-N 3.26Å; K63-D67 VanDerWaalsContact CE-OD1 3.27Å; K63-D67 WeakPolarHBondContact CE-OD1 3.39Å; K63-D67 VanDerWaalsContact CE-OD2 3.31Å; K63-D67 WeakPolarHBondContact CE-OD2 3.37Å; K63-D67 IonicContact NZ-OD1 2.67Å; K63-D67 PolarHBondContact NZ-OD1 3.46Å; K63-D67 IonicContact NZ-OD2 3.66Å; K63-D67 WeakPolarHBondContact O-CB 3.37Å; K63-D67 VanDerWaalsContact O-CG 3.29Å; K63-D67 PolarHBondContact O-N 3.42Å |
| 64 | K | 97.6 | Very high | 97.7 | Very high | 146 Ų | 146 | 76.4 Ų | 76.4 | 64% | 0.635 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -56.9 | -42.2 | 175.5 | -73.5 | 171.8 | -177.1 | 173.2 | 0 | 112.1 | A60 Q61 L62 D67 T68 | A60-K64 WeakPolarHBondContact O-CG 3.36Å; A60-K64 PolarHBondContact O-N 2.93Å; A60-K64 VanDerWaalsContact O-N 3.1Å; Q61-K64 PolarHBondContact O-N 3.1Å; L62-K64 VanDerWaalsContact C-N 3.34Å; L62-K64 PolarHBondContact O-N 3.24Å; K64-D67 PolarHBondContact O-N 3.26Å; K64-T68 WeakPolarHBondContact O-CG2 3.37Å; K64-T68 PolarHBondContact O-N 3.48Å |
| 65 | L | 98.3 | Very high | 97.6 | Very high | 116 Ų | 116 | 74 Ų | 74 | 61% | 0.607 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -66.6 | -46.2 | 177.5 | -67.7 | 170.6 | 0 | 0 | 0 | 111.6 | Q61 L62 K63 D67 T68 | Q61-L65 PolarHBondContact O-N 2.95Å; L62-L65 WeakPolarHBondContact O-CB 3.26Å; L62-L65 PolarHBondContact O-N 3.41Å; L62-L65 VanDerWaalsContact O-N 3.12Å; K63-L65 VanDerWaalsContact C-N 3.29Å; K63-L65 PolarHBondContact O-N 2.93Å; L65-D67 PolarHBondContact O-N 2.82Å; L65-T68 PolarHBondContact O-N 3.45Å; L65-T68 VanDerWaalsContact O-N 3.12Å; L65-T68 PolarHBondContact O-OG1 3.13Å |
| 66 | V | 97.9 | Very high | 97.6 | Very high | 18 Ų | 18 | 71.5 Ų | 71.5 | 11% | 0.109 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -60.9 | -36.7 | 177.9 | 174 | 0 | 0 | 0 | 0 | 111.1 | L34 L62 K63 T68 L69 | L34-V66 HydrophobicContact CD1-CB 4.39Å; L34-V66 HydrophobicContact CD1-CG2 4.11Å; L34-V66 HydrophobicContact CG-CG2 4.25Å; L34-V66 WeakPolarHBondContact O-CG1 3.37Å; L62-V66 HydrophobicContact CD1-CG2 4.27Å; L62-V66 HydrophobicContact CG-CG2 4.43Å; L62-V66 WeakPolarHBondContact O-CG2 3.4Å; L62-V66 PolarHBondContact O-N 3.44Å; K63-V66 PolarHBondContact O-N 3.26Å; V66-T68 PolarHBondContact O-N 3Å; V66-L69 VanDerWaalsContact O-CB 3.28Å; V66-L69 WeakPolarHBondContact O-CB 3.45Å; V66-L69 WeakPolarHBondContact O-CG 3.46Å; V66-L69 PolarHBondContact O-N 3.05Å |
| 67 | D | 97.5 | Very high | 97.6 | Very high | 55 Ų | 55 | 72 Ų | 72 | 29% | 0.294 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -66.8 | -21.4 | 178.3 | -76.1 | -18.6 | 0 | 0 | 0 | 113.8 | K63 K64 L65 L69 | K63-D67 VanDerWaalsContact CE-OD1 3.27Å; K63-D67 WeakPolarHBondContact CE-OD1 3.39Å; K63-D67 VanDerWaalsContact CE-OD2 3.31Å; K63-D67 WeakPolarHBondContact CE-OD2 3.37Å; K63-D67 IonicContact NZ-OD1 2.67Å; K63-D67 PolarHBondContact NZ-OD1 3.46Å; K63-D67 IonicContact NZ-OD2 3.66Å; K63-D67 WeakPolarHBondContact O-CB 3.37Å; K63-D67 VanDerWaalsContact O-CG 3.29Å; K63-D67 PolarHBondContact O-N 3.42Å; K64-D67 PolarHBondContact O-N 3.26Å; L65-D67 PolarHBondContact O-N 2.82Å; D67-L69 PolarHBondContact O-N 3.16Å |
| 68 | T | 97.9 | Very high | 97.4 | Very high | 110 Ų | 110 | 68.1 Ų | 68.1 | 68% | 0.675 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -15.1 | 172.9 | 70 | 0 | 0 | 0 | 0 | 113.5 | K64 L65 V66 | K64-T68 WeakPolarHBondContact O-CG2 3.37Å; K64-T68 PolarHBondContact O-N 3.48Å; L65-T68 PolarHBondContact O-N 3.45Å; L65-T68 VanDerWaalsContact O-N 3.12Å; L65-T68 PolarHBondContact O-OG1 3.13Å; V66-T68 PolarHBondContact O-N 3Å |
| 69 | L | 98.1 | Very high | 97.3 | Very high | 62 Ų | 62 | 72.2 Ų | 72.2 | 33% | 0.325 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -73.8 | 144.1 | -178.9 | -59.4 | 177.7 | 0 | 0 | 0 | 111.1 | V66 D67 A73 R74 I77 | V66-L69 VanDerWaalsContact O-CB 3.28Å; V66-L69 WeakPolarHBondContact O-CB 3.45Å; V66-L69 WeakPolarHBondContact O-CG 3.46Å; V66-L69 PolarHBondContact O-N 3.05Å; D67-L69 PolarHBondContact O-N 3.16Å; L69-A73 HydrophobicContact CB-CB 4.31Å; L69-R74 HydrophobicContact CB-CG 3.88Å; L69-I77 HydrophobicContact CD1-CD1 3.71Å |
| 70 | P | 97.9 | Very high | 97.2 | Very high | 93 Ų | 93 | 76.1 Ų | 76.1 | 60% | 0.604 | 41% | 0.408 | S | S | * | . | trans | -57.2 | 145.4 | 171 | -23 | 33 | 0 | 0 | 0 | 111.4 | K72 A73 R74 | P70-K72 VanDerWaalsContact C-N 3.26Å; P70-K72 PolarHBondContact O-N 3.14Å; P70-K72 VanDerWaalsContact O-N 3.13Å; P70-A73 WeakPolarHBondContact O-CA 3.21Å; P70-A73 VanDerWaalsContact O-CB 3.31Å; P70-A73 WeakPolarHBondContact O-CB 3.39Å; P70-A73 PolarHBondContact O-N 2.79Å; P70-R74 PolarHBondContact O-N 3.44Å | ||
| 71 | A | 95.9 | Very high | 96.9 | Very high | 55 Ų | 55 | 78 Ų | 78 | 46% | 0.455 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -49.6 | -45.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113 | A73 R74 D75 | A71-A73 VanDerWaalsContact C-N 3.26Å; A71-A73 PolarHBondContact O-N 2.96Å; A71-R74 PolarHBondContact O-N 3.36Å; A71-R74 VanDerWaalsContact O-N 3.11Å; A71-D75 PolarHBondContact O-N 2.95Å |
| 72 | K | 97.1 | Very high | 96.5 | Very high | 167 Ų | 167 | 77.1 Ų | 77.1 | 73% | 0.726 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -57 | -36.6 | 176.5 | -177.3 | -179.4 | 178.7 | -176.9 | 0 | 113.3 | P70 S76 | P70-K72 VanDerWaalsContact C-N 3.26Å; P70-K72 PolarHBondContact O-N 3.14Å; P70-K72 VanDerWaalsContact O-N 3.13Å; K72-S76 WeakPolarHBondContact O-CB 3.34Å; K72-S76 PolarHBondContact O-N 3.42Å; K72-S76 PolarHBondContact O-OG 2.94Å |
| 73 | A | 98 | Very high | 96.3 | Very high | 34 Ų | 34 | 80.5 Ų | 80.5 | 28% | 0.281 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -69.4 | -44.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | L69 P70 A71 D75 S76 I77 | L69-A73 HydrophobicContact CB-CB 4.31Å; P70-A73 WeakPolarHBondContact O-CA 3.21Å; P70-A73 VanDerWaalsContact O-CB 3.31Å; P70-A73 WeakPolarHBondContact O-CB 3.39Å; P70-A73 PolarHBondContact O-N 2.79Å; A71-A73 VanDerWaalsContact C-N 3.26Å; A71-A73 PolarHBondContact O-N 2.96Å; A73-D75 PolarHBondContact O-N 2.93Å; A73-S76 WeakPolarHBondContact O-CB 3.43Å; A73-S76 PolarHBondContact O-N 2.85Å; A73-S76 VanDerWaalsContact O-N 3.17Å; A73-I77 WeakPolarHBondContact O-CG1 3.23Å; A73-I77 PolarHBondContact O-N 2.94Å |
| 74 | R | 97.4 | Very high | 95.9 | Very high | 56 Ų | 56 | 84.5 Ų | 84.5 | 21% | 0.211 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -60.7 | -45.2 | 175.9 | -54.2 | -175.7 | -42.6 | -146.5 | 4.6 | 111.8 | C35 L69 P70 A71 S76 I77 I78 | C35-R74 HydrophobicContact CB-CB 4.49Å; C35-R74 VanDerWaalsContact O-CD 3.22Å; C35-R74 WeakPolarHBondContact O-CD 3.47Å; C35-R74 PolarHBondContact O-NE 3.49Å; C35-R74 VanDerWaalsContact O-NE 3.1Å; L69-R74 HydrophobicContact CB-CG 3.88Å; P70-R74 PolarHBondContact O-N 3.44Å; A71-R74 PolarHBondContact O-N 3.36Å; A71-R74 VanDerWaalsContact O-N 3.11Å; R74-S76 VanDerWaalsContact C-N 3.28Å; R74-S76 PolarHBondContact O-N 3.48Å; R74-I77 WeakPolarHBondContact O-CB 3.26Å; R74-I77 PolarHBondContact O-N 2.87Å; R74-I77 VanDerWaalsContact O-N 3.16Å; R74-I78 PolarHBondContact O-N 3.31Å; R74-I78 VanDerWaalsContact O-N 3.15Å |
| 75 | D | 96.3 | Very high | 95.3 | Very high | 71 Ų | 71 | 80 Ų | 80 | 38% | 0.38 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.8 | -38.2 | 175.4 | -63.9 | -16.6 | 0 | 0 | 0 | 112.1 | A71 A73 I78 K79 | A71-D75 PolarHBondContact O-N 2.95Å; A73-D75 PolarHBondContact O-N 2.93Å; D75-I78 PolarHBondContact O-N 3.43Å; D75-K79 WeakPolarHBondContact O-CG 3.08Å; D75-K79 PolarHBondContact O-N 3.12Å; D75-K79 VanDerWaalsContact O-N 3.15Å |
| 76 | S | 97.7 | Very high | 94.8 | Very high | 63 Ų | 63 | 81.1 Ų | 81.1 | 44% | 0.441 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -70 | -33.7 | 178.5 | -58.6 | 0 | 0 | 0 | 0 | 111.9 | K72 A73 R74 L80 | K72-S76 WeakPolarHBondContact O-CB 3.34Å; K72-S76 PolarHBondContact O-N 3.42Å; K72-S76 PolarHBondContact O-OG 2.94Å; A73-S76 WeakPolarHBondContact O-CB 3.43Å; A73-S76 PolarHBondContact O-N 2.85Å; A73-S76 VanDerWaalsContact O-N 3.17Å; R74-S76 VanDerWaalsContact C-N 3.28Å; R74-S76 PolarHBondContact O-N 3.48Å; S76-L80 WeakPolarHBondContact O-CB 3.41Å; S76-L80 PolarHBondContact O-N 3.46Å |
| 77 | I | 96.4 | Very high | 94.3 | Very high | 50 Ų | 50 | 81.9 Ų | 81.9 | 26% | 0.256 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.9 | -45.4 | 174 | -70.3 | 164 | 0 | 0 | 0 | 110.2 | L69 A73 R74 K79 L80 M81 | L69-I77 HydrophobicContact CD1-CD1 3.71Å; A73-I77 WeakPolarHBondContact O-CG1 3.23Å; A73-I77 PolarHBondContact O-N 2.94Å; R74-I77 WeakPolarHBondContact O-CB 3.26Å; R74-I77 PolarHBondContact O-N 2.87Å; R74-I77 VanDerWaalsContact O-N 3.16Å; I77-K79 PolarHBondContact O-N 3.39Å; I77-L80 WeakPolarHBondContact O-CA 3.27Å; I77-L80 WeakPolarHBondContact O-CB 3.44Å; I77-L80 PolarHBondContact O-N 3.3Å; I77-L80 VanDerWaalsContact O-N 3.12Å; I77-M81 HydrophobicContact CG2-CE 4.19Å; I77-M81 HydrophobicContact CG2-CG 4.45Å; I77-M81 WeakPolarHBondContact O-CG 3.3Å; I77-M81 PolarHBondContact O-N 3.45Å |
| 78 | I | 94.7 | Very high | 93.7 | Very high | 25 Ų | 25 | 86.7 Ų | 86.7 | 13% | 0.128 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -61.3 | -47.4 | 178.4 | -63.9 | 168.9 | 0 | 0 | 0 | 111 | C35 L36 R74 D75 L80 M81 E82 | C35-I78 HydrophobicContact CB-CD1 3.63Å; C35-I78 HydrophobicContact CB-CG1 3.66Å; L36-I78 HydrophobicContact CD1-CD1 3.51Å; L36-I78 HydrophobicContact CD2-CD1 3.45Å; L36-I78 VanDerWaalsContact CD2-CD1 3.45Å; L36-I78 HydrophobicContact CG-CD1 3.3Å; R74-I78 PolarHBondContact O-N 3.31Å; R74-I78 VanDerWaalsContact O-N 3.15Å; D75-I78 PolarHBondContact O-N 3.43Å; I78-L80 PolarHBondContact O-N 2.88Å; I78-M81 PolarHBondContact O-N 3.48Å; I78-M81 VanDerWaalsContact O-N 3.08Å; I78-E82 PolarHBondContact O-N 2.58Å |
| 79 | K | 94.9 | Very high | 93 | Very high | 145 Ų | 145 | 89 Ų | 89 | 63% | 0.63 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -59.8 | -34.8 | 176 | -71.3 | 173.9 | -177.4 | 175.1 | 0 | 112.4 | D75 I77 K83 | D75-K79 WeakPolarHBondContact O-CG 3.08Å; D75-K79 PolarHBondContact O-N 3.12Å; D75-K79 VanDerWaalsContact O-N 3.15Å; I77-K79 PolarHBondContact O-N 3.39Å; K79-K83 WeakPolarHBondContact O-CB 3.35Å; K79-K83 PolarHBondContact O-N 3.33Å |
| 80 | L | 95.1 | Very high | 92 | Very high | 94 Ų | 94 | 89 Ų | 89 | 49% | 0.492 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.1 | -46.9 | 173.9 | 175.9 | 63.3 | 0 | 0 | 0 | 111.1 | S76 I77 I78 E82 K83 I84 | S76-L80 WeakPolarHBondContact O-CB 3.41Å; S76-L80 PolarHBondContact O-N 3.46Å; I77-L80 WeakPolarHBondContact O-CA 3.27Å; I77-L80 WeakPolarHBondContact O-CB 3.44Å; I77-L80 PolarHBondContact O-N 3.3Å; I77-L80 VanDerWaalsContact O-N 3.12Å; I78-L80 PolarHBondContact O-N 2.88Å; L80-E82 PolarHBondContact O-N 2.93Å; L80-K83 WeakPolarHBondContact O-CB 3.33Å; L80-K83 PolarHBondContact O-N 2.85Å; L80-K83 VanDerWaalsContact O-N 3.15Å; L80-I84 HydrophobicContact CD1-CD1 4.21Å; L80-I84 HydrophobicContact CD1-CG1 4.48Å; L80-I84 HydrophobicContact CG-CD1 4.05Å; L80-I84 WeakPolarHBondContact O-CG1 3.31Å; L80-I84 PolarHBondContact O-N 3.22Å |
| 81 | M | 92.4 | Very high | 90.2 | Very high | 82 Ų | 82 | 90.8 Ų | 90.8 | 40% | 0.404 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.2 | -44.3 | 177.9 | -63.6 | -54.8 | -179.7 | 0 | 0 | 111.7 | I31 I77 I78 K83 I84 D85 | I31-M81 HydrophobicContact CG2-CG 4.22Å; I77-M81 HydrophobicContact CG2-CE 4.19Å; I77-M81 HydrophobicContact CG2-CG 4.45Å; I77-M81 WeakPolarHBondContact O-CG 3.3Å; I77-M81 PolarHBondContact O-N 3.45Å; I78-M81 PolarHBondContact O-N 3.48Å; I78-M81 VanDerWaalsContact O-N 3.08Å; M81-K83 VanDerWaalsContact C-N 3.3Å; M81-K83 PolarHBondContact O-N 3.43Å; M81-I84 WeakPolarHBondContact O-CB 3.36Å; M81-I84 PolarHBondContact O-N 2.95Å; M81-I84 HydrophobicContact SD-CD1 4.33Å; M81-D85 WeakPolarHBondContact O-CB 3.35Å; M81-D85 PolarHBondContact O-N 3.48Å |
| 82 | E | 89.9 | Confident | 89.9 | Confident | 88 Ų | 88 | 92.6 Ų | 92.6 | 41% | 0.411 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.9 | -37.5 | 173.8 | -74.6 | -172.7 | -142.5 | 0 | 0 | 112.9 | I78 L80 I84 K86 | I78-E82 PolarHBondContact O-N 2.58Å; L80-E82 PolarHBondContact O-N 2.93Å; E82-I84 VanDerWaalsContact C-N 3.31Å; E82-K86 WeakPolarHBondContact O-CB 3.4Å; E82-K86 VanDerWaalsContact O-CG 3.29Å; E82-K86 WeakPolarHBondContact O-CG 3.27Å; E82-K86 PolarHBondContact O-N 2.95Å; E82-K86 IonicContact OE2-NZ 2.89Å; E82-K86 PolarHBondContact OE2-NZ 3.09Å |
| 83 | K | 92.8 | Very high | 89.6 | Confident | 159 Ų | 159 | 88.7 Ų | 88.7 | 69% | 0.691 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -68.1 | -34.8 | 177.8 | -172.5 | -174.5 | 179.1 | 86.6 | 0 | 111.4 | K79 L80 M81 S87 | K79-K83 WeakPolarHBondContact O-CB 3.35Å; K79-K83 PolarHBondContact O-N 3.33Å; L80-K83 WeakPolarHBondContact O-CB 3.33Å; L80-K83 PolarHBondContact O-N 2.85Å; L80-K83 VanDerWaalsContact O-N 3.15Å; M81-K83 VanDerWaalsContact C-N 3.3Å; M81-K83 PolarHBondContact O-N 3.43Å; K83-S87 PolarHBondContact O-N 3.41Å |
| 84 | I | 90.4 | Very high | 89.1 | Confident | 85 Ų | 85 | 91.7 Ų | 91.7 | 44% | 0.436 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -68 | -50.8 | 174.9 | -68.7 | 163.1 | 0 | 0 | 0 | 109.6 | L80 M81 E82 K86 S87 C90 | L80-I84 HydrophobicContact CD1-CD1 4.21Å; L80-I84 HydrophobicContact CD1-CG1 4.48Å; L80-I84 HydrophobicContact CG-CD1 4.05Å; L80-I84 WeakPolarHBondContact O-CG1 3.31Å; L80-I84 PolarHBondContact O-N 3.22Å; M81-I84 WeakPolarHBondContact O-CB 3.36Å; M81-I84 PolarHBondContact O-N 2.95Å; M81-I84 HydrophobicContact SD-CD1 4.33Å; E82-I84 VanDerWaalsContact C-N 3.31Å; I84-K86 VanDerWaalsContact C-N 3.34Å; I84-K86 PolarHBondContact O-N 2.84Å; I84-S87 WeakPolarHBondContact O-CB 3.38Å; I84-S87 PolarHBondContact O-N 3.05Å; I84-C90 PolarHBondContact O-SG 2.79Å |
| 85 | D | 85.7 | Confident | 88.6 | Confident | 52 Ų | 52 | 93.8 Ų | 93.8 | 28% | 0.278 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -54.7 | -47.4 | 178 | 175.4 | 63.1 | 0 | 0 | 0 | 112.2 | V23 M81 S87 | V23-D85 WeakPolarHBondContact CB-OD1 3.42Å; V23-D85 WeakPolarHBondContact CG2-OD1 3.29Å; M81-D85 WeakPolarHBondContact O-CB 3.35Å; M81-D85 PolarHBondContact O-N 3.48Å; D85-S87 PolarHBondContact O-N 3.47Å |
| 86 | K | 86.3 | Confident | 88.1 | Confident | 139 Ų | 139 | 95.3 Ų | 95.3 | 60% | 0.604 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | 4.5 | 179.9 | -64.1 | 167.7 | -175.4 | 162.3 | 0 | 113.9 | E82 I84 | E82-K86 WeakPolarHBondContact O-CB 3.4Å; E82-K86 VanDerWaalsContact O-CG 3.29Å; E82-K86 WeakPolarHBondContact O-CG 3.27Å; E82-K86 PolarHBondContact O-N 2.95Å; E82-K86 IonicContact OE2-NZ 2.89Å; E82-K86 PolarHBondContact OE2-NZ 3.09Å; I84-K86 VanDerWaalsContact C-N 3.34Å; I84-K86 PolarHBondContact O-N 2.84Å |
| 87 | S | 88 | Confident | 87.5 | Confident | 35 Ų | 35 | 97.4 Ų | 97.4 | 25% | 0.245 | 49% | 0.489 | C | S | . | . | S | Bend | trans | -73.1 | 146.4 | -179.1 | -176.3 | 0 | 0 | 0 | 0 | 111.6 | K83 I84 D85 L89 C90 N91 | K83-S87 PolarHBondContact O-N 3.41Å; I84-S87 WeakPolarHBondContact O-CB 3.38Å; I84-S87 PolarHBondContact O-N 3.05Å; D85-S87 PolarHBondContact O-N 3.47Å; S87-L89 PolarHBondContact O-N 3.05Å; S87-L89 PolarHBondContact OG-N 3.41Å; S87-C90 PolarHBondContact O-N 3.5Å; S87-N91 PolarHBondContact O-ND2 3.49Å |
| 88 | L | 84.7 | Confident | 86.8 | Confident | 155 Ų | 155 | 100.8 Ų | 100.8 | 81% | 0.812 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -13.5 | 169.7 | -65.1 | 176.7 | 0 | 0 | 0 | 113.2 | ||
| 89 | L | 83.4 | Confident | 86.2 | Confident | 160 Ų | 160 | 106.6 Ų | 106.6 | 84% | 0.838 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -13.6 | 175.3 | -57.4 | 178.4 | 0 | 0 | 0 | 113.5 | S87 | S87-L89 PolarHBondContact O-N 3.05Å; S87-L89 PolarHBondContact OG-N 3.41Å |
| 90 | C | 76.8 | Confident | 85.5 | Confident | 62 Ų | 62 | 103.4 Ų | 103.4 | 42% | 0.419 | 53% | 0.527 | S | S | . | . | trans | -110.1 | 12.7 | 178.6 | -67.2 | 0 | 0 | 0 | 0 | 112.2 | S20 I84 S87 | S20-C90 PolarHBondContact OG-O 2.92Å; I84-C90 PolarHBondContact O-SG 2.79Å; S87-C90 PolarHBondContact O-N 3.5Å | ||
| 91 | N | 60.6 | Low | 84.6 | Confident | 130 Ų | 130 | 104.3 Ų | 104.3 | 70% | 0.695 | 53% | 0.53 | S | S | * | . | trans | -111.2 | 0 | 177.2 | -71.5 | -65.9 | 0 | 0 | 0 | 112 | S20 S87 | S20-N91 VanDerWaalsContact CB-OXT 3.28Å; S20-N91 WeakPolarHBondContact CB-OXT 3.44Å; S87-N91 PolarHBondContact O-ND2 3.49Å |
Retrieved 91 of 91 residues in 180.5 ms
(Link to these results)