| 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 | 40.5 | Very low | 54.1 | Low | 225 Ų | 225 | 113 Ų | 113 | 100% | 1.108 | 62% | 0.624 | S | S | * | * | 0 | 36.5 | 0 | -75.5 | 172.2 | 173.6 | 0 | 0 | 113.2 | |||||
| 2 | A | 45.2 | Very low | 55.3 | Low | 79 Ų | 79 | 113.1 Ų | 113.1 | 65% | 0.653 | 62% | 0.622 | S | S | * | * | trans | -85.8 | -10.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | S4 | A2-S4 VanDerWaalsContact C-N 3.33Å; A2-S4 PolarHBondContact O-N 3.04Å | ||
| 3 | P | 52.3 | Low | 56.6 | Low | 101 Ų | 101 | 108.5 Ų | 108.5 | 66% | 0.656 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -78.7 | -10.1 | -173.1 | 30 | -32.3 | 0 | 0 | 0 | 114.7 | ||
| 4 | S | 54.4 | Low | 57.9 | Low | 76 Ų | 76 | 108.8 Ų | 108.8 | 53% | 0.531 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -79.2 | -38.8 | -177.5 | 48.3 | 0 | 0 | 0 | 0 | 113.4 | A2 R7 A8 | A2-S4 VanDerWaalsContact C-N 3.33Å; A2-S4 PolarHBondContact O-N 3.04Å; S4-R7 PolarHBondContact O-N 3.47Å; S4-A8 PolarHBondContact O-N 2.89Å |
| 5 | L | 49.6 | Very low | 59 | Low | 135 Ų | 135 | 112.9 Ų | 112.9 | 71% | 0.707 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -69 | -39.5 | -178.1 | -85.9 | 161 | 0 | 0 | 0 | 113 | R7 A8 C9 | L5-R7 VanDerWaalsContact C-N 3.3Å; L5-R7 PolarHBondContact O-N 3.2Å; L5-A8 PolarHBondContact O-N 3.09Å; L5-C9 PolarHBondContact O-N 3.12Å |
| 6 | L | 54.4 | Low | 60 | Low | 121 Ų | 121 | 111 Ų | 111 | 63% | 0.634 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.5 | -32.3 | 176 | -114 | 133.8 | 0 | 0 | 0 | 112.1 | R10 | L6-R10 VanDerWaalsContact O-CD 3.25Å; L6-R10 WeakPolarHBondContact O-CD 2.85Å; L6-R10 WeakPolarHBondContact O-CG 3.12Å; L6-R10 PolarHBondContact O-N 2.94Å |
| 7 | R | 55.3 | Low | 61.1 | Low | 195 Ų | 195 | 113.5 Ų | 113.5 | 74% | 0.736 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -72.6 | -38.4 | 174.7 | -171.2 | 175.5 | -78.7 | 156.9 | -5.2 | 111.4 | S4 L5 R10 S11 | S4-R7 PolarHBondContact O-N 3.47Å; L5-R7 VanDerWaalsContact C-N 3.3Å; L5-R7 PolarHBondContact O-N 3.2Å; R7-R10 PolarHBondContact O-N 3.37Å; R7-S11 PolarHBondContact O-N 3.15Å; R7-S11 VanDerWaalsContact O-N 3.17Å |
| 8 | A | 55.6 | Low | 61.9 | Low | 47 Ų | 47 | 112.9 Ų | 112.9 | 39% | 0.388 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -65.8 | -46.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S4 L5 R10 S11 L12 | S4-A8 PolarHBondContact O-N 2.89Å; L5-A8 PolarHBondContact O-N 3.09Å; A8-R10 VanDerWaalsContact C-N 3.26Å; A8-R10 PolarHBondContact O-N 2.68Å; A8-S11 WeakPolarHBondContact O-CB 3.03Å; A8-S11 PolarHBondContact O-N 3.44Å; A8-S11 VanDerWaalsContact O-N 3.09Å; A8-L12 PolarHBondContact O-N 3.04Å |
| 9 | C | 56.7 | Low | 62.7 | Low | 91 Ų | 91 | 112.9 Ų | 112.9 | 62% | 0.615 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -59.7 | -34.9 | 175.8 | -102.6 | 0 | 0 | 0 | 0 | 113.2 | L5 L12 A13 | L5-C9 PolarHBondContact O-N 3.12Å; C9-L12 PolarHBondContact O-N 2.83Å; C9-A13 PolarHBondContact O-N 2.83Å; C9-A13 VanDerWaalsContact O-N 3.09Å |
| 10 | R | 64.9 | Low | 63.5 | Low | 116 Ų | 116 | 111.1 Ų | 111.1 | 44% | 0.438 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -68 | -37.1 | 175.3 | -76.2 | 167.6 | 143.8 | -145.4 | -27.9 | 112.8 | L6 R7 A8 L14 | L6-R10 VanDerWaalsContact O-CD 3.25Å; L6-R10 WeakPolarHBondContact O-CD 2.85Å; L6-R10 WeakPolarHBondContact O-CG 3.12Å; L6-R10 PolarHBondContact O-N 2.94Å; R7-R10 PolarHBondContact O-N 3.37Å; A8-R10 VanDerWaalsContact C-N 3.26Å; A8-R10 PolarHBondContact O-N 2.68Å; R10-L14 PolarHBondContact O-N 3.23Å |
| 11 | S | 66 | Low | 64.1 | Low | 57 Ų | 57 | 110 Ų | 110 | 40% | 0.399 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.4 | -44.3 | 174.5 | -170.3 | 0 | 0 | 0 | 0 | 111 | R7 A8 A13 L14 W15 | R7-S11 PolarHBondContact O-N 3.15Å; R7-S11 VanDerWaalsContact O-N 3.17Å; A8-S11 WeakPolarHBondContact O-CB 3.03Å; A8-S11 PolarHBondContact O-N 3.44Å; A8-S11 VanDerWaalsContact O-N 3.09Å; S11-A13 PolarHBondContact O-N 2.93Å; S11-L14 PolarHBondContact O-N 3.03Å; S11-W15 WeakPolarHBondContact O-CB 3.49Å; S11-W15 PolarHBondContact O-N 2.84Å |
| 12 | L | 68.1 | Low | 65.7 | Low | 114 Ų | 114 | 102.4 Ų | 102.4 | 60% | 0.597 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.5 | -43.1 | 178.7 | -87.2 | 138.4 | 0 | 0 | 0 | 112.4 | A8 C9 L14 W15 T16 | A8-L12 PolarHBondContact O-N 3.04Å; C9-L12 PolarHBondContact O-N 2.83Å; L12-L14 PolarHBondContact O-N 3.33Å; L12-W15 PolarHBondContact O-N 3.03Å; L12-T16 WeakPolarHBondContact O-CG2 3.16Å; L12-T16 PolarHBondContact O-N 2.85Å; L12-T16 PolarHBondContact O-OG1 3.16Å |
| 13 | A | 72.4 | Confident | 67.1 | Low | 54 Ų | 54 | 104.9 Ų | 104.9 | 45% | 0.446 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.8 | -34.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | C9 S11 T16 W17 | C9-A13 PolarHBondContact O-N 2.83Å; C9-A13 VanDerWaalsContact O-N 3.09Å; S11-A13 PolarHBondContact O-N 2.93Å; A13-T16 WeakPolarHBondContact CA-OG1 2.97Å; A13-T16 PolarHBondContact O-OG1 3.25Å; A13-T16 VanDerWaalsContact O-OG1 3.05Å; A13-W17 WeakPolarHBondContact O-CB 3.24Å; A13-W17 PolarHBondContact O-N 3.37Å |
| 14 | L | 74.6 | Confident | 68.1 | Low | 112 Ų | 112 | 102.4 Ų | 102.4 | 59% | 0.586 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -70.3 | -40.1 | 174.4 | -81.5 | 162.6 | 0 | 0 | 0 | 111.5 | R10 S11 L12 W17 L18 | R10-L14 PolarHBondContact O-N 3.23Å; S11-L14 PolarHBondContact O-N 3.03Å; L12-L14 PolarHBondContact O-N 3.33Å; L14-W17 PolarHBondContact O-N 3.46Å; L14-L18 WeakPolarHBondContact O-CB 3.42Å; L14-L18 VanDerWaalsContact O-CG 3.29Å; L14-L18 WeakPolarHBondContact O-CG 3.43Å; L14-L18 PolarHBondContact O-N 3.36Å |
| 15 | W | 74.9 | Confident | 68.6 | Low | 170 Ų | 170 | 102.7 Ų | 102.7 | 64% | 0.644 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -69.1 | -39.3 | 179.5 | -78.9 | 44 | 0 | 0 | 0 | 111.9 | S11 L12 W17 L18 L19 | S11-W15 WeakPolarHBondContact O-CB 3.49Å; S11-W15 PolarHBondContact O-N 2.84Å; L12-W15 PolarHBondContact O-N 3.03Å; W15-W17 VanDerWaalsContact C-N 3.33Å; W15-L18 PolarHBondContact O-N 3.46Å; W15-L19 VanDerWaalsContact O-CB 3.29Å; W15-L19 WeakPolarHBondContact O-CB 3.46Å; W15-L19 WeakPolarHBondContact O-CG 3.45Å; W15-L19 PolarHBondContact O-N 3.15Å |
| 16 | T | 74.9 | Confident | 69.5 | Low | 83 Ų | 83 | 101.1 Ų | 101.1 | 51% | 0.509 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.6 | -36.1 | 174.5 | 53.8 | 0 | 0 | 0 | 0 | 112.1 | L12 A13 S20 | L12-T16 WeakPolarHBondContact O-CG2 3.16Å; L12-T16 PolarHBondContact O-N 2.85Å; L12-T16 PolarHBondContact O-OG1 3.16Å; A13-T16 WeakPolarHBondContact CA-OG1 2.97Å; A13-T16 PolarHBondContact O-OG1 3.25Å; A13-T16 VanDerWaalsContact O-OG1 3.05Å; T16-S20 VanDerWaalsContact O-CB 3.27Å; T16-S20 WeakPolarHBondContact O-CB 3.01Å; T16-S20 PolarHBondContact O-N 2.84Å |
| 17 | W | 78.1 | Confident | 70 | Confident | 153 Ų | 153 | 99.5 Ų | 99.5 | 58% | 0.58 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.7 | -46.8 | 171.9 | -107.8 | 75.3 | 0 | 0 | 0 | 112.6 | A13 L14 W15 L19 S20 F21 | A13-W17 WeakPolarHBondContact O-CB 3.24Å; A13-W17 PolarHBondContact O-N 3.37Å; L14-W17 PolarHBondContact O-N 3.46Å; W15-W17 VanDerWaalsContact C-N 3.33Å; W17-L19 VanDerWaalsContact C-N 3.35Å; W17-S20 PolarHBondContact O-N 2.94Å; W17-F21 VanDerWaalsContact O-CB 3.24Å; W17-F21 WeakPolarHBondContact O-CB 3.4Å; W17-F21 PolarHBondContact O-N 3.39Å |
| 18 | L | 76.8 | Confident | 70.2 | Confident | 103 Ų | 103 | 91.8 Ų | 91.8 | 54% | 0.539 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66 | -37.6 | 178.6 | -73.3 | 168.8 | 0 | 0 | 0 | 112.2 | L14 W15 F21 C22 | L14-L18 WeakPolarHBondContact O-CB 3.42Å; L14-L18 VanDerWaalsContact O-CG 3.29Å; L14-L18 WeakPolarHBondContact O-CG 3.43Å; L14-L18 PolarHBondContact O-N 3.36Å; W15-L18 PolarHBondContact O-N 3.46Å; L18-F21 PolarHBondContact O-N 2.84Å; L18-C22 WeakPolarHBondContact O-CB 3.37Å; L18-C22 PolarHBondContact O-N 3.05Å; L18-C22 PolarHBondContact O-SG 3.35Å |
| 19 | L | 77.5 | Confident | 70.3 | Confident | 114 Ų | 114 | 94.8 Ų | 94.8 | 60% | 0.597 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -69.1 | -42.5 | 175.1 | -74.4 | 168.8 | 0 | 0 | 0 | 111.5 | W15 W17 F21 C22 F23 | W15-L19 VanDerWaalsContact O-CB 3.29Å; W15-L19 WeakPolarHBondContact O-CB 3.46Å; W15-L19 WeakPolarHBondContact O-CG 3.45Å; W15-L19 PolarHBondContact O-N 3.15Å; W17-L19 VanDerWaalsContact C-N 3.35Å; L19-F21 VanDerWaalsContact C-N 3.3Å; L19-F21 PolarHBondContact O-N 2.69Å; L19-C22 PolarHBondContact O-N 3.34Å; L19-F23 VanDerWaalsContact O-CB 3.25Å; L19-F23 WeakPolarHBondContact O-CB 3.43Å; L19-F23 PolarHBondContact O-N 3.34Å |
| 20 | S | 77.6 | Confident | 70.4 | Confident | 75 Ų | 75 | 96.6 Ų | 96.6 | 52% | 0.524 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.5 | -40.2 | 174.1 | -175.2 | 0 | 0 | 0 | 0 | 111.5 | T16 W17 F23 V24 | T16-S20 VanDerWaalsContact O-CB 3.27Å; T16-S20 WeakPolarHBondContact O-CB 3.01Å; T16-S20 PolarHBondContact O-N 2.84Å; W17-S20 PolarHBondContact O-N 2.94Å; S20-F23 PolarHBondContact O-N 2.91Å; S20-V24 VanDerWaalsContact O-CG2 3.27Å; S20-V24 WeakPolarHBondContact O-CG2 3.46Å; S20-V24 PolarHBondContact O-N 3.08Å |
| 21 | F | 75.9 | Confident | 69.7 | Low | 88 Ų | 88 | 98.9 Ų | 98.9 | 39% | 0.386 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.4 | -44.7 | 176.9 | -179.2 | -94.8 | 0 | 0 | 0 | 111.9 | W17 L18 L19 F23 V24 Q25 F202 | W17-F21 VanDerWaalsContact O-CB 3.24Å; W17-F21 WeakPolarHBondContact O-CB 3.4Å; W17-F21 PolarHBondContact O-N 3.39Å; L18-F21 PolarHBondContact O-N 2.84Å; L19-F21 VanDerWaalsContact C-N 3.3Å; L19-F21 PolarHBondContact O-N 2.69Å; F21-F23 VanDerWaalsContact C-N 3.3Å; F21-F23 PolarHBondContact O-N 3.18Å; F21-V24 PolarHBondContact O-N 2.74Å; F21-Q25 WeakPolarHBondContact O-CB 3.35Å; F21-Q25 PolarHBondContact O-N 2.91Å; F21-F202 HydrophobicContact CD2-CE2 4.24Å; F21-F202 HydrophobicContact CE1-CE2 4.03Å; F21-F202 HydrophobicContact CE1-CZ 4.37Å; F21-F202 HydrophobicContact CE2-CD2 4.05Å; F21-F202 AromaticContact CE2-CE2 3.18Å; F21-F202 HydrophobicContact CE2-CE2 3.18Å; F21-F202 AromaticContact CE2-CZ 3.64Å; F21-F202 HydrophobicContact CE2-CZ 3.64Å; F21-F202 HydrophobicContact CZ-CD2 4.3Å; F21-F202 AromaticContact CZ-CE2 3.1Å; F21-F202 HydrophobicContact CZ-CE2 3.1Å; F21-F202 AromaticContact CZ-CZ 3.3Å; F21-F202 HydrophobicContact CZ-CZ 3.3Å |
| 22 | C | 74.8 | Confident | 69.1 | Low | 66 Ų | 66 | 98.4 Ų | 98.4 | 45% | 0.446 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62 | -38.7 | 173.5 | -75.7 | 0 | 0 | 0 | 0 | 111.9 | L18 L19 Q25 L26 | L18-C22 WeakPolarHBondContact O-CB 3.37Å; L18-C22 PolarHBondContact O-N 3.05Å; L18-C22 PolarHBondContact O-SG 3.35Å; L19-C22 PolarHBondContact O-N 3.34Å; C22-Q25 WeakPolarHBondContact O-CB 3.24Å; C22-Q25 PolarHBondContact O-N 3.42Å; C22-L26 WeakPolarHBondContact O-CB 3.35Å; C22-L26 WeakPolarHBondContact O-CD1 3.44Å; C22-L26 WeakPolarHBondContact O-CG 3.25Å; C22-L26 PolarHBondContact O-N 2.78Å |
| 23 | F | 73.9 | Confident | 68.4 | Low | 131 Ų | 131 | 96.6 Ų | 96.6 | 58% | 0.575 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.5 | -42 | 177.6 | -169.7 | -105.6 | 0 | 0 | 0 | 111.6 | L19 S20 F21 Q25 L26 L27 | L19-F23 VanDerWaalsContact O-CB 3.25Å; L19-F23 WeakPolarHBondContact O-CB 3.43Å; L19-F23 PolarHBondContact O-N 3.34Å; S20-F23 PolarHBondContact O-N 2.91Å; F21-F23 VanDerWaalsContact C-N 3.3Å; F21-F23 PolarHBondContact O-N 3.18Å; F23-Q25 VanDerWaalsContact C-N 3.35Å; F23-L26 PolarHBondContact O-N 3.44Å; F23-L27 HydrophobicContact CD1-CD1 3.64Å; F23-L27 HydrophobicContact CD1-CG 4.27Å; F23-L27 HydrophobicContact CE1-CD1 3.31Å; F23-L27 HydrophobicContact CE1-CG 4.06Å; F23-L27 HydrophobicContact CG-CD1 4.49Å; F23-L27 HydrophobicContact CZ-CD1 3.91Å; F23-L27 HydrophobicContact CZ-CD2 4.44Å; F23-L27 HydrophobicContact CZ-CG 4.26Å; F23-L27 WeakPolarHBondContact O-CB 3.22Å; F23-L27 VanDerWaalsContact O-CG 3.29Å; F23-L27 WeakPolarHBondContact O-CG 3.35Å; F23-L27 PolarHBondContact O-N 3.49Å |
| 24 | V | 73.5 | Confident | 67.6 | Low | 50 Ų | 50 | 95.8 Ų | 95.8 | 30% | 0.303 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 172.3 | 172.3 | 0 | 0 | 0 | 0 | 111 | S20 F21 L27 C28 L205 | S20-V24 VanDerWaalsContact O-CG2 3.27Å; S20-V24 WeakPolarHBondContact O-CG2 3.46Å; S20-V24 PolarHBondContact O-N 3.08Å; F21-V24 PolarHBondContact O-N 2.74Å; V24-L27 PolarHBondContact O-N 2.96Å; V24-C28 VanDerWaalsContact O-CB 3.23Å; V24-C28 WeakPolarHBondContact O-CB 3.36Å; V24-C28 PolarHBondContact O-N 3.39Å; V24-C28 PolarHBondContact O-SG 2.86Å; V24-C28 VanDerWaalsContact O-SG 3.38Å; V24-L205 HydrophobicContact CG1-CD1 4.22Å |
| 25 | Q | 66.1 | Low | 66.8 | Low | 81 Ų | 81 | 98.2 Ų | 98.2 | 38% | 0.379 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 176.1 | -159.9 | 88.1 | -4.3 | 0 | 0 | 111.8 | F21 C22 F23 C28 L29 | F21-Q25 WeakPolarHBondContact O-CB 3.35Å; F21-Q25 PolarHBondContact O-N 2.91Å; C22-Q25 WeakPolarHBondContact O-CB 3.24Å; C22-Q25 PolarHBondContact O-N 3.42Å; F23-Q25 VanDerWaalsContact C-N 3.35Å; Q25-C28 PolarHBondContact O-N 3Å; Q25-L29 WeakPolarHBondContact O-CG 3.47Å; Q25-L29 PolarHBondContact O-N 3.12Å |
| 26 | L | 66.9 | Low | 66.2 | Low | 102 Ų | 102 | 95.9 Ų | 95.9 | 53% | 0.534 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.2 | -47.9 | 177.4 | -84.6 | 156.3 | 0 | 0 | 0 | 111.3 | C22 F23 C28 L29 D30 | C22-L26 WeakPolarHBondContact O-CB 3.35Å; C22-L26 WeakPolarHBondContact O-CD1 3.44Å; C22-L26 WeakPolarHBondContact O-CG 3.25Å; C22-L26 PolarHBondContact O-N 2.78Å; F23-L26 PolarHBondContact O-N 3.44Å; L26-C28 VanDerWaalsContact C-N 3.28Å; L26-C28 PolarHBondContact O-N 2.91Å; L26-L29 PolarHBondContact O-N 3.04Å; L26-L29 VanDerWaalsContact O-N 3.16Å; L26-D30 PolarHBondContact O-N 3.03Å |
| 27 | L | 64.9 | Low | 66.2 | Low | 87 Ų | 87 | 95.9 Ų | 95.9 | 46% | 0.455 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.5 | -36.4 | 175.5 | -73.6 | 178.1 | 0 | 0 | 0 | 112.3 | F23 V24 D30 F31 | F23-L27 HydrophobicContact CD1-CD1 3.64Å; F23-L27 HydrophobicContact CD1-CG 4.27Å; F23-L27 HydrophobicContact CE1-CD1 3.31Å; F23-L27 HydrophobicContact CE1-CG 4.06Å; F23-L27 HydrophobicContact CG-CD1 4.49Å; F23-L27 HydrophobicContact CZ-CD1 3.91Å; F23-L27 HydrophobicContact CZ-CD2 4.44Å; F23-L27 HydrophobicContact CZ-CG 4.26Å; F23-L27 WeakPolarHBondContact O-CB 3.22Å; F23-L27 VanDerWaalsContact O-CG 3.29Å; F23-L27 WeakPolarHBondContact O-CG 3.35Å; F23-L27 PolarHBondContact O-N 3.49Å; V24-L27 PolarHBondContact O-N 2.96Å; L27-D30 PolarHBondContact O-N 3.4Å; L27-F31 WeakPolarHBondContact O-CB 3.29Å; L27-F31 PolarHBondContact O-N 2.91Å |
| 28 | C | 59.5 | Low | 66.7 | Low | 33 Ų | 33 | 91.9 Ų | 91.9 | 22% | 0.223 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -70 | -33.4 | 175.6 | -84.1 | 0 | 0 | 0 | 0 | 113.3 | V24 Q25 L26 F31 T32 V198 | V24-C28 VanDerWaalsContact O-CB 3.23Å; V24-C28 WeakPolarHBondContact O-CB 3.36Å; V24-C28 PolarHBondContact O-N 3.39Å; V24-C28 PolarHBondContact O-SG 2.86Å; V24-C28 VanDerWaalsContact O-SG 3.38Å; Q25-C28 PolarHBondContact O-N 3Å; L26-C28 VanDerWaalsContact C-N 3.28Å; L26-C28 PolarHBondContact O-N 2.91Å; C28-F31 PolarHBondContact O-N 3.38Å; C28-T32 PolarHBondContact O-N 2.96Å; C28-V198 HydrophobicContact CB-CG1 3.64Å; C28-V198 HydrophobicContact CB-CG2 4.35Å |
| 29 | L | 59 | Low | 67.5 | Low | 110 Ų | 110 | 88.5 Ų | 88.5 | 58% | 0.576 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -68.1 | -41.7 | 172.5 | -73.6 | 165.9 | 0 | 0 | 0 | 110.6 | Q25 L26 F31 T32 | Q25-L29 WeakPolarHBondContact O-CG 3.47Å; Q25-L29 PolarHBondContact O-N 3.12Å; L26-L29 PolarHBondContact O-N 3.04Å; L26-L29 VanDerWaalsContact O-N 3.16Å; L29-F31 VanDerWaalsContact C-N 3.32Å; L29-F31 PolarHBondContact O-N 3.31Å; L29-T32 PolarHBondContact O-N 2.98Å; L29-T32 PolarHBondContact O-OG1 2.92Å |
| 30 | D | 57.2 | Low | 68.3 | Low | 129 Ų | 129 | 85.5 Ų | 85.5 | 69% | 0.69 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -66.9 | -32.4 | 175.1 | -74.6 | -31.2 | 0 | 0 | 0 | 112.3 | L26 L27 T32 | L26-D30 PolarHBondContact O-N 3.03Å; L27-D30 PolarHBondContact O-N 3.4Å; D30-T32 PolarHBondContact O-N 3.27Å |
| 31 | F | 50.7 | Low | 69.3 | Low | 164 Ų | 164 | 82.7 Ų | 82.7 | 72% | 0.719 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -3.3 | 175.3 | -132 | -90.6 | 0 | 0 | 0 | 114.1 | L27 C28 L29 A33 | L27-F31 WeakPolarHBondContact O-CB 3.29Å; L27-F31 PolarHBondContact O-N 2.91Å; C28-F31 PolarHBondContact O-N 3.38Å; L29-F31 VanDerWaalsContact C-N 3.32Å; L29-F31 PolarHBondContact O-N 3.31Å; F31-A33 PolarHBondContact O-N 3.29Å |
| 32 | T | 54.9 | Low | 70.3 | Confident | 48 Ų | 48 | 78.5 Ų | 78.5 | 29% | 0.294 | 41% | 0.407 | S | S | . | . | trans | -74.8 | 60.8 | 158.3 | 66 | 0 | 0 | 0 | 0 | 109 | C28 L29 D30 A34 | C28-T32 PolarHBondContact O-N 2.96Å; L29-T32 PolarHBondContact O-N 2.98Å; L29-T32 PolarHBondContact O-OG1 2.92Å; D30-T32 PolarHBondContact O-N 3.27Å; T32-A34 VanDerWaalsContact C-N 3.28Å; T32-A34 PolarHBondContact O-N 2.9Å | ||
| 33 | A | 53.4 | Low | 71.4 | Confident | 75 Ų | 75 | 77.9 Ų | 77.9 | 62% | 0.62 | 40% | 0.397 | S | S | * | . | trans | -59.5 | 97.6 | 170 | 0 | 0 | 0 | 0 | 0 | 107 | F31 E35 | F31-A33 PolarHBondContact O-N 3.29Å; A33-E35 PolarHBondContact O-N 2.63Å; A33-E35 VanDerWaalsContact O-N 3.15Å | ||
| 34 | A | 55.3 | Low | 72.6 | Confident | 38 Ų | 38 | 71.7 Ų | 71.7 | 31% | 0.314 | 37% | 0.369 | S | S | . | . | trans | -68.7 | 109.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | T32 K36 K188 Y189 | T32-A34 VanDerWaalsContact C-N 3.28Å; T32-A34 PolarHBondContact O-N 2.9Å; A34-K36 PolarHBondContact O-N 3.48Å; A34-K188 HydrophobicContact CB-CB 4.23Å; A34-Y189 VanDerWaalsContact CA-O 3.23Å; A34-Y189 WeakPolarHBondContact CA-O 3.49Å | ||
| 35 | E | 57.2 | Low | 73.7 | Confident | 162 Ų | 162 | 70.9 Ų | 70.9 | 76% | 0.757 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57 | 129.1 | 166.4 | -79.6 | 179.9 | 174.8 | 0 | 0 | 107.7 | A33 Y189 | A33-E35 PolarHBondContact O-N 2.63Å; A33-E35 VanDerWaalsContact O-N 3.15Å; E35-Y189 PolarHBondContact N-O 3.44Å; E35-Y189 PolarHBondContact O-N 3.49Å; E35-Y189 VanDerWaalsContact O-N 3.11Å |
| 36 | K | 63.1 | Low | 75.2 | Confident | 122 Ų | 122 | 67 Ų | 67 | 53% | 0.53 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 100.8 | -174.5 | -179.1 | -174.8 | 172.6 | -169.8 | 0 | 107.4 | A34 E38 L186 | A34-K36 PolarHBondContact O-N 3.48Å; K36-E38 IonicContact NZ-OE2 3.98Å; K36-L186 HydrophobicContact CD-CD1 3.97Å; K36-L186 HydrophobicContact CD-CD2 4.32Å; K36-L186 HydrophobicContact CD-CG 4.46Å; K36-L186 HydrophobicContact CG-CD1 3.75Å; K36-L186 HydrophobicContact CG-CD2 4.25Å; K36-L186 HydrophobicContact CG-CG 4.03Å |
| 37 | E | 74.6 | Confident | 76.6 | Confident | 82 Ų | 82 | 63.9 Ų | 63.9 | 38% | 0.383 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 113.2 | 170 | -160 | 179.4 | 165.9 | 0 | 0 | 108.3 | Q187 Y189 | E37-Q187 PolarHBondContact N-O 3.34Å; E37-Q187 VanDerWaalsContact N-O 3.07Å; E37-Q187 PolarHBondContact O-N 3.4Å; E37-Y189 HydrophobicContact CB-CD2 4.33Å; E37-Y189 HydrophobicContact CB-CE2 3.98Å; E37-Y189 WeakPolarHBondContact OE2-CE2 3.34Å |
| 38 | E | 88.6 | Confident | 78.1 | Confident | 70 Ų | 70 | 61.6 Ų | 61.6 | 33% | 0.327 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 122 | 177.5 | -179.5 | 171.3 | 165 | 0 | 0 | 109.6 | K36 Y40 R184 L186 | K36-E38 IonicContact NZ-OE2 3.98Å; E38-Y40 HydrophobicContact CG-CE2 4.01Å; E38-Y40 WeakPolarHBondContact OE1-CE2 3.49Å; E38-Y40 PolarHBondContact OE1-OH 3Å; E38-R184 IonicContact OE1-CZ 3.56Å; E38-R184 IonicContact OE1-NE 2.63Å; E38-R184 PolarHBondContact OE1-NE 3.49Å; E38-R184 IonicContact OE1-NH2 2.83Å; E38-R184 PolarHBondContact OE1-NH2 3.43Å; E38-R184 IonicContact OE2-CZ 2.84Å; E38-R184 IonicContact OE2-NE 3.87Å; E38-R184 IonicContact OE2-NH2 3.99Å; E38-R184 PolarHBondContact OE2-NH2 3.42Å; E38-L186 HydrophobicContact CB-CD1 4.03Å; E38-L186 HydrophobicContact CG-CD1 4.17Å |
| 39 | W | 92.1 | Very high | 79.7 | Confident | 31 Ų | 31 | 64.8 Ų | 64.8 | 12% | 0.117 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 157.7 | 179.3 | 61.2 | -92 | 0 | 0 | 0 | 111.4 | T41 R65 T143 N185 | W39-T41 HydrophobicContact CE3-CG2 4.36Å; W39-T41 HydrophobicContact CH2-CG2 4.03Å; W39-T41 HydrophobicContact CZ3-CG2 3.4Å; W39-T41 VanDerWaalsContact CZ3-CG2 3.4Å; W39-R65 HydrophobicContact CE3-CG 3.91Å; W39-R65 HydrophobicContact CZ3-CG 4.39Å; W39-T143 HydrophobicContact CB-CG2 4.45Å; W39-N185 HydrophobicContact CD2-CB 3.62Å; W39-N185 HydrophobicContact CE3-CB 4.01Å; W39-N185 HydrophobicContact CG-CB 4.25Å; W39-N185 HydrophobicContact CH2-CB 3.76Å; W39-N185 VanDerWaalsContact CH2-CG 3.43Å; W39-N185 WeakPolarHBondContact CH2-ND2 3.43Å; W39-N185 HydrophobicContact CZ2-CB 3.33Å; W39-N185 VanDerWaalsContact CZ2-CG 3.44Å; W39-N185 HydrophobicContact CZ3-CB 4.1Å; W39-N185 WeakPolarHBondContact CZ3-ND2 3.34Å; W39-N185 PolarHBondContact N-O 3.2Å; W39-N185 VanDerWaalsContact N-O 3.13Å; W39-N185 PolarHBondContact O-N 3.15Å |
| 40 | Y | 95.8 | Very high | 81 | Confident | 51 Ų | 51 | 60.4 Ų | 60.4 | 20% | 0.2 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 129.7 | -175.2 | -68.7 | -103.7 | 0 | 0 | 0 | 109.3 | E38 Y66 K72 V181 R184 | E38-Y40 HydrophobicContact CG-CE2 4.01Å; E38-Y40 WeakPolarHBondContact OE1-CE2 3.49Å; E38-Y40 PolarHBondContact OE1-OH 3Å; Y40-Y66 PolarHBondContact O-N 3.43Å; Y40-K72 HydrophobicContact CD2-CD 4.1Å; Y40-K72 HydrophobicContact CD2-CG 4.3Å; Y40-K72 HydrophobicContact CG-CD 4.13Å; Y40-K72 HydrophobicContact CG-CG 4.42Å; Y40-V181 HydrophobicContact CD1-CG1 4.21Å; Y40-R184 HydrophobicContact CD1-CB 4.06Å; Y40-R184 HydrophobicContact CD1-CG 4.37Å; Y40-R184 HydrophobicContact CE1-CB 3.71Å; Y40-R184 HydrophobicContact CE1-CG 3.74Å; Y40-R184 HydrophobicContact CE2-CG 4.35Å; Y40-R184 WeakPolarHBondContact OH-CD 3.3Å; Y40-R184 PolarHBondContact OH-NE 2.92Å |
| 41 | T | 97 | Very high | 82.2 | Confident | 17 Ų | 17 | 58 Ų | 58 | 10% | 0.104 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 164.4 | 165.7 | 55.2 | 0 | 0 | 0 | 0 | 109.9 | W39 E62 G64 Y66 G182 T183 | W39-T41 HydrophobicContact CE3-CG2 4.36Å; W39-T41 HydrophobicContact CH2-CG2 4.03Å; W39-T41 HydrophobicContact CZ3-CG2 3.4Å; W39-T41 VanDerWaalsContact CZ3-CG2 3.4Å; T41-E62 WeakPolarHBondContact CB-OE1 3.33Å; T41-E62 HydrophobicContact CG2-CG 4.47Å; T41-E62 PolarHBondContact OG1-OE1 2.83Å; T41-G64 CarbonylContact C-O 3.47Å; T41-G64 WeakPolarHBondContact CA-O 3.47Å; T41-Y66 WeakPolarHBondContact O-CD2 3.39Å; T41-Y66 WeakPolarHBondContact O-CE2 3.48Å; T41-G182 VanDerWaalsContact O-CA 3.27Å; T41-G182 WeakPolarHBondContact O-CA 3.38Å; T41-G182 PolarHBondContact O-N 3.4Å; T41-G182 WeakPolarHBondContact OG1-CA 3.29Å; T41-T183 PolarHBondContact N-O 3.2Å; T41-T183 WeakPolarHBondContact OG1-CA 3.41Å; T41-T183 PolarHBondContact OG1-N 3.41Å; T41-T183 PolarHBondContact OG1-O 3.02Å |
| 42 | A | 97.9 | Very high | 83.8 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 132.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | V44 G64 Y66 I155 I179 S180 | A42-V44 PolarHBondContact O-N 3.41Å; A42-G64 PolarHBondContact N-O 3.39Å; A42-G64 WeakPolarHBondContact O-CA 3.47Å; A42-G64 PolarHBondContact O-N 3.36Å; A42-Y66 HydrophobicContact CB-CD2 3.72Å; A42-Y66 HydrophobicContact CB-CE2 3.33Å; A42-I155 HydrophobicContact CB-CB 4.48Å; A42-I155 HydrophobicContact CB-CD1 4.21Å; A42-I155 HydrophobicContact CB-CG2 3.94Å; A42-I179 HydrophobicContact CB-CG2 4.19Å; A42-S180 WeakPolarHBondContact CA-O 3.44Å |
| 43 | F | 98.1 | Very high | 85.4 | Confident | 53 Ų | 53 | 56.7 Ų | 56.7 | 23% | 0.232 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 122.2 | 165.3 | -74.8 | -80.1 | 0 | 0 | 0 | 108.7 | K60 E62 I179 S180 | F43-K60 HydrophobicContact CD1-CD 4.47Å; F43-K60 VanDerWaalsContact CD1-CE 3.48Å; F43-K60 HydrophobicContact CD1-CG 4.27Å; F43-E62 HydrophobicContact CD1-CB 3.65Å; F43-E62 HydrophobicContact CD1-CG 4.02Å; F43-E62 HydrophobicContact CD2-CG 4.49Å; F43-E62 HydrophobicContact CE1-CB 3.48Å; F43-E62 VanDerWaalsContact CE1-CB 3.48Å; F43-E62 HydrophobicContact CE1-CG 3.83Å; F43-E62 HydrophobicContact CE2-CG 4.29Å; F43-E62 HydrophobicContact CG-CB 4.41Å; F43-E62 HydrophobicContact CG-CG 4.34Å; F43-E62 HydrophobicContact CZ-CB 4.1Å; F43-E62 HydrophobicContact CZ-CG 3.95Å; F43-E62 WeakPolarHBondContact CZ-OE2 3.32Å; F43-I179 WeakPolarHBondContact O-CA 3.27Å; F43-S180 VanDerWaalsContact CB-OG 3.32Å; F43-S180 WeakPolarHBondContact CB-OG 3.3Å; F43-S180 PolarHBondContact N-O 2.85Å; F43-S180 PolarHBondContact O-N 2.79Å |
| 44 | V | 97.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 112.6 | 174.4 | -178.6 | 0 | 0 | 0 | 0 | 107.3 | A42 I46 T61 I155 I157 M177 | A42-V44 PolarHBondContact O-N 3.41Å; V44-I46 HydrophobicContact CG1-CG2 4.23Å; V44-T61 PolarHBondContact N-O 3.47Å; V44-T61 PolarHBondContact O-N 3.25Å; V44-T61 PolarHBondContact O-OG1 2.96Å; V44-I155 HydrophobicContact CG2-CD1 3.78Å; V44-I157 HydrophobicContact CG2-CG2 3.83Å; V44-M177 HydrophobicContact CG1-CE 3.95Å; V44-M177 HydrophobicContact CG1-CG 4.15Å; V44-M177 HydrophobicContact CG1-SD 3.98Å |
| 45 | N | 97.9 | Very high | 88.8 | Confident | 34 Ų | 34 | 62 Ų | 62 | 18% | 0.182 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 117.9 | 175.2 | -179.6 | 9.6 | 0 | 0 | 0 | 109.5 | T58 E59 K60 M177 H178 | N45-T58 WeakPolarHBondContact OD1-CG2 3.24Å; N45-E59 CarbonylContact C-O 3.44Å; N45-E59 VanDerWaalsContact CA-O 3.28Å; N45-E59 WeakPolarHBondContact CA-O 3.11Å; N45-E59 PolarHBondContact OD1-O 3.39Å; N45-K60 HydrophobicContact CB-CB 4.2Å; N45-K60 HydrophobicContact CB-CG 4.21Å; N45-M177 CarbonylContact O-C 3.52Å; N45-M177 WeakPolarHBondContact O-CA 3.32Å; N45-H178 HydrophobicContact CB-CB 4.2Å; N45-H178 WeakPolarHBondContact CB-O 3.4Å; N45-H178 PolarHBondContact N-O 2.96Å; N45-H178 PolarHBondContact O-N 2.82Å |
| 46 | I | 97.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 137.7 | 176.9 | 61 | 170.5 | 0 | 0 | 0 | 110.4 | V44 T58 E59 I165 L168 V175 M177 | V44-I46 HydrophobicContact CG1-CG2 4.23Å; I46-T58 WeakPolarHBondContact O-CA 3.45Å; I46-E59 HydrophobicContact CG1-CB 3.97Å; I46-E59 PolarHBondContact N-O 3.29Å; I46-E59 PolarHBondContact O-N 3.45Å; I46-I165 HydrophobicContact CD1-CG1 4.32Å; I46-I165 HydrophobicContact CG2-CD1 4.05Å; I46-I165 HydrophobicContact CG2-CG1 4.24Å; I46-L168 HydrophobicContact CD1-CD1 4.39Å; I46-V175 HydrophobicContact CB-CG1 4.13Å; I46-V175 HydrophobicContact CG2-CG1 4.33Å; I46-M177 HydrophobicContact CG2-CE 4.12Å; I46-M177 HydrophobicContact CG2-CG 4.48Å |
| 47 | T | 96.6 | Very high | 92 | Very high | 36 Ų | 36 | 59 Ų | 59 | 22% | 0.221 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 127.5 | 178.6 | 48.1 | 0 | 0 | 0 | 0 | 109.2 | R57 T58 V176 | T47-R57 WeakPolarHBondContact CA-O 3.47Å; T47-T58 HydrophobicContact CG2-CG2 3.64Å; T47-V176 PolarHBondContact N-O 3.49Å; T47-V176 PolarHBondContact O-N 3.24Å; T47-V176 WeakPolarHBondContact OG1-CB 3.23Å; T47-V176 PolarHBondContact OG1-O 3.46Å |
| 48 | Y | 95.1 | Very high | 93 | Very high | 39 Ų | 39 | 59.2 Ų | 59.2 | 15% | 0.153 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 151.8 | 176.6 | 63.1 | -87.3 | 0 | 0 | 0 | 110.7 | R57 L168 | Y48-R57 HydrophobicContact CD1-CB 4.46Å; Y48-R57 HydrophobicContact CD2-CB 4.38Å; Y48-R57 HydrophobicContact CE1-CB 4.03Å; Y48-R57 HydrophobicContact CE2-CB 3.94Å; Y48-R57 HydrophobicContact CE2-CG 4.32Å; Y48-R57 PolarHBondContact N-O 2.92Å; Y48-R57 PolarHBondContact O-N 3.14Å; Y48-R57 WeakPolarHBondContact OH-CD 3.48Å; Y48-L168 HydrophobicContact CD1-CD1 3.89Å; Y48-L168 HydrophobicContact CD2-CD2 4.45Å; Y48-L168 HydrophobicContact CE1-CD1 3.75Å; Y48-L168 HydrophobicContact CE1-CD2 4.48Å; Y48-L168 HydrophobicContact CE2-CD2 4.09Å; Y48-L168 HydrophobicContact CG-CD1 4.45Å |
| 49 | L | 93.6 | Very high | 93.3 | Very high | 99 Ų | 99 | 59.1 Ų | 59.1 | 52% | 0.518 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 118.8 | 175.5 | -177.4 | 66.4 | 0 | 0 | 0 | 108.9 | V56 | L49-V56 HydrophobicContact CD1-CG2 4.01Å |
| 50 | D | 87.3 | Confident | 93.4 | Very high | 19 Ų | 19 | 63.6 Ų | 63.6 | 10% | 0.102 | 34% | 0.338 | C | S | . | . | trans | -74.3 | 122.1 | 174.4 | 177 | -11 | 0 | 0 | 0 | 108.8 | V52 S53 S54 E55 R57 | D50-V52 VanDerWaalsContact C-N 3.27Å; D50-V52 PolarHBondContact O-N 2.89Å; D50-V52 PolarHBondContact OD1-N 3.18Å; D50-S53 WeakPolarHBondContact CB-OG 3.46Å; D50-S53 PolarHBondContact OD1-N 3.42Å; D50-S53 PolarHBondContact OD2-OG 3.47Å; D50-S54 WeakPolarHBondContact O-CA 3.29Å; D50-S54 PolarHBondContact O-N 3.38Å; D50-E55 PolarHBondContact N-O 3.32Å; D50-R57 HydrophobicContact CB-CG 4.32Å; D50-R57 IonicContact OD2-CZ 3.77Å; D50-R57 IonicContact OD2-NE 2.83Å; D50-R57 PolarHBondContact OD2-NE 3.33Å; D50-R57 IonicContact OD2-NH2 3.05Å; D50-R57 PolarHBondContact OD2-NH2 3.13Å | ||
| 51 | P | 81.4 | Confident | 93.5 | Very high | 79 Ų | 79 | 62.9 Ų | 62.9 | 51% | 0.513 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -20 | -171.7 | 36.4 | -40.8 | 0 | 0 | 0 | 111.3 | F173 | P51-F173 HydrophobicContact CB-CE1 4.09Å; P51-F173 VanDerWaalsContact CD-CZ 3.47Å; P51-F173 HydrophobicContact CG-CD1 4.47Å; P51-F173 HydrophobicContact CG-CE1 3.29Å; P51-F173 HydrophobicContact CG-CZ 3.58Å |
| 52 | V | 85.3 | Confident | 93.4 | Very high | 134 Ų | 134 | 66 Ų | 66 | 81% | 0.812 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -47.2 | -177.1 | -175.5 | 0 | 0 | 0 | 0 | 109.5 | D50 | D50-V52 VanDerWaalsContact C-N 3.27Å; D50-V52 PolarHBondContact O-N 2.89Å; D50-V52 PolarHBondContact OD1-N 3.18Å |
| 53 | S | 88.1 | Confident | 93.3 | Very high | 49 Ų | 49 | 67.4 Ų | 67.4 | 34% | 0.343 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -16.9 | 179.2 | 60.9 | 0 | 0 | 0 | 0 | 113.5 | D50 E55 | D50-S53 WeakPolarHBondContact CB-OG 3.46Å; D50-S53 PolarHBondContact OD1-N 3.42Å; D50-S53 PolarHBondContact OD2-OG 3.47Å; S53-E55 PolarHBondContact O-N 3.23Å; S53-E55 PolarHBondContact OG-N 3.41Å |
| 54 | S | 88.4 | Confident | 93.2 | Very high | 94 Ų | 94 | 65 Ų | 65 | 66% | 0.657 | 35% | 0.352 | S | S | * | . | trans | 56.8 | 18.4 | -168.4 | -58.5 | 0 | 0 | 0 | 0 | 113.8 | D50 | D50-S54 WeakPolarHBondContact O-CA 3.29Å; D50-S54 PolarHBondContact O-N 3.38Å | ||
| 55 | E | 92.6 | Very high | 93.2 | Very high | 130 Ų | 130 | 67.1 Ų | 67.1 | 61% | 0.607 | 36% | 0.36 | S | S | * | . | trans | -94.8 | 143.8 | 177.3 | -66.5 | -172.8 | 161.3 | 0 | 0 | 111.2 | D50 S53 R57 | D50-E55 PolarHBondContact N-O 3.32Å; S53-E55 PolarHBondContact O-N 3.23Å; S53-E55 PolarHBondContact OG-N 3.41Å; E55-R57 PolarHBondContact O-N 3.35Å | ||
| 56 | V | 92.5 | Very high | 93.1 | Very high | 101 Ų | 101 | 65.5 Ų | 65.5 | 61% | 0.612 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 111.2 | 173.2 | 179.9 | 0 | 0 | 0 | 0 | 108.4 | L49 | L49-V56 HydrophobicContact CD1-CG2 4.01Å |
| 57 | R | 93.9 | Very high | 93.1 | Very high | 122 Ų | 122 | 65.5 Ų | 65.5 | 46% | 0.46 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 131.3 | 173.5 | -67.6 | -172.5 | -178.4 | -124.3 | 2.5 | 109.7 | T47 Y48 D50 E55 | T47-R57 WeakPolarHBondContact CA-O 3.47Å; Y48-R57 HydrophobicContact CD1-CB 4.46Å; Y48-R57 HydrophobicContact CD2-CB 4.38Å; Y48-R57 HydrophobicContact CE1-CB 4.03Å; Y48-R57 HydrophobicContact CE2-CB 3.94Å; Y48-R57 HydrophobicContact CE2-CG 4.32Å; Y48-R57 PolarHBondContact N-O 2.92Å; Y48-R57 PolarHBondContact O-N 3.14Å; Y48-R57 WeakPolarHBondContact OH-CD 3.48Å; D50-R57 HydrophobicContact CB-CG 4.32Å; D50-R57 IonicContact OD2-CZ 3.77Å; D50-R57 IonicContact OD2-NE 2.83Å; D50-R57 PolarHBondContact OD2-NE 3.33Å; D50-R57 IonicContact OD2-NH2 3.05Å; D50-R57 PolarHBondContact OD2-NH2 3.13Å; E55-R57 PolarHBondContact O-N 3.35Å |
| 58 | T | 94.8 | Very high | 93 | Very high | 85 Ų | 85 | 69.2 Ų | 69.2 | 52% | 0.521 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 129.8 | 178.4 | -55.8 | 0 | 0 | 0 | 0 | 108.9 | N45 I46 T47 | N45-T58 WeakPolarHBondContact OD1-CG2 3.24Å; I46-T58 WeakPolarHBondContact O-CA 3.45Å; T47-T58 HydrophobicContact CG2-CG2 3.64Å |
| 59 | E | 95 | Very high | 93 | Very high | 68 Ų | 68 | 72.1 Ų | 72.1 | 32% | 0.318 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 124 | 178.4 | -168.8 | -163.9 | 152.2 | 0 | 0 | 110.1 | N45 I46 T61 K161 | N45-E59 CarbonylContact C-O 3.44Å; N45-E59 VanDerWaalsContact CA-O 3.28Å; N45-E59 WeakPolarHBondContact CA-O 3.11Å; N45-E59 PolarHBondContact OD1-O 3.39Å; I46-E59 HydrophobicContact CG1-CB 3.97Å; I46-E59 PolarHBondContact N-O 3.29Å; I46-E59 PolarHBondContact O-N 3.45Å; E59-T61 HydrophobicContact CG-CG2 4.26Å; E59-T61 WeakPolarHBondContact OE1-CG2 3.5Å; E59-K161 IonicContact OE1-NZ 2.96Å; E59-K161 PolarHBondContact OE1-NZ 3.3Å; E59-K161 IonicContact OE2-NZ 3.14Å; E59-K161 PolarHBondContact OE2-NZ 2.91Å |
| 60 | K | 95.6 | Very high | 93.1 | Very high | 126 Ų | 126 | 67.6 Ų | 67.6 | 55% | 0.548 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 121.8 | 179.3 | -178.5 | 179.2 | 178.6 | -178.1 | 0 | 110 | F43 N45 | F43-K60 HydrophobicContact CD1-CD 4.47Å; F43-K60 VanDerWaalsContact CD1-CE 3.48Å; F43-K60 HydrophobicContact CD1-CG 4.27Å; N45-K60 HydrophobicContact CB-CB 4.2Å; N45-K60 HydrophobicContact CB-CG 4.21Å |
| 61 | T | 96.3 | Very high | 93.6 | Very high | 36 Ų | 36 | 67.7 Ų | 67.7 | 22% | 0.221 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 134.3 | -179.5 | 53.5 | 0 | 0 | 0 | 0 | 111.4 | V44 E59 C63 | V44-T61 PolarHBondContact N-O 3.47Å; V44-T61 PolarHBondContact O-N 3.25Å; V44-T61 PolarHBondContact O-OG1 2.96Å; E59-T61 HydrophobicContact CG-CG2 4.26Å; E59-T61 WeakPolarHBondContact OE1-CG2 3.5Å; T61-C63 VanDerWaalsContact C-N 3.28Å; T61-C63 PolarHBondContact O-N 3.36Å; T61-C63 VanDerWaalsContact O-N 3.1Å; T61-C63 PolarHBondContact OG1-SG 3.09Å; T61-C63 VanDerWaalsContact OG1-SG 3.39Å |
| 62 | E | 96.9 | Very high | 94.3 | Very high | 83 Ų | 83 | 67.3 Ų | 67.3 | 39% | 0.388 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 70.2 | 171.8 | -162 | 178.7 | 178.3 | 0 | 0 | 110.5 | T41 F43 T183 | T41-E62 WeakPolarHBondContact CB-OE1 3.33Å; T41-E62 HydrophobicContact CG2-CG 4.47Å; T41-E62 PolarHBondContact OG1-OE1 2.83Å; F43-E62 HydrophobicContact CD1-CB 3.65Å; F43-E62 HydrophobicContact CD1-CG 4.02Å; F43-E62 HydrophobicContact CD2-CG 4.49Å; F43-E62 HydrophobicContact CE1-CB 3.48Å; F43-E62 VanDerWaalsContact CE1-CB 3.48Å; F43-E62 HydrophobicContact CE1-CG 3.83Å; F43-E62 HydrophobicContact CE2-CG 4.29Å; F43-E62 HydrophobicContact CG-CB 4.41Å; F43-E62 HydrophobicContact CG-CG 4.34Å; F43-E62 HydrophobicContact CZ-CB 4.1Å; F43-E62 HydrophobicContact CZ-CG 3.95Å; F43-E62 WeakPolarHBondContact CZ-OE2 3.32Å; E62-T183 VanDerWaalsContact OE1-CB 3.3Å; E62-T183 WeakPolarHBondContact OE1-CB 3.25Å; E62-T183 PolarHBondContact OE1-N 3Å; E62-T183 VanDerWaalsContact OE1-N 3.15Å; E62-T183 PolarHBondContact OE1-OG1 3.17Å |
| 63 | C | 94.9 | Very high | 94.8 | Very high | 29 Ų | 29 | 66.7 Ų | 66.7 | 20% | 0.196 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | -14.1 | -176.8 | 63.8 | 0 | 0 | 0 | 0 | 113.1 | T61 P158 | T61-C63 VanDerWaalsContact C-N 3.28Å; T61-C63 PolarHBondContact O-N 3.36Å; T61-C63 VanDerWaalsContact O-N 3.1Å; T61-C63 PolarHBondContact OG1-SG 3.09Å; T61-C63 VanDerWaalsContact OG1-SG 3.39Å; C63-P158 HydrophobicContact CB-CG 4.21Å; C63-P158 VanDerWaalsContact O-CD 3.29Å; C63-P158 WeakPolarHBondContact O-CD 3.5Å |
| 64 | G | 95.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 70.5 Ų | 70.5 | 1% | 0.01 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 157.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T41 A42 M156 | T41-G64 CarbonylContact C-O 3.47Å; T41-G64 WeakPolarHBondContact CA-O 3.47Å; A42-G64 PolarHBondContact N-O 3.39Å; A42-G64 WeakPolarHBondContact O-CA 3.47Å; A42-G64 PolarHBondContact O-N 3.36Å; G64-M156 CarbonylContact C-O 3.52Å; G64-M156 WeakPolarHBondContact CA-O 3.42Å |
| 65 | R | 96.9 | Very high | 95.6 | Very high | 45 Ų | 45 | 66.5 Ų | 66.5 | 17% | 0.17 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 127.8 | 168.9 | -174.4 | 178.3 | -71 | -158.6 | 4.8 | 109.4 | W39 T141 I155 M156 | W39-R65 HydrophobicContact CE3-CG 3.91Å; W39-R65 HydrophobicContact CZ3-CG 4.39Å; R65-T141 PolarHBondContact NE-O 3.12Å; R65-T141 PolarHBondContact NE-OG1 3.37Å; R65-T141 PolarHBondContact NH1-O 2.88Å; R65-T141 PolarHBondContact NH2-O 3.04Å; R65-I155 CarbonylContact O-C 3.41Å; R65-I155 VanDerWaalsContact O-CA 3.26Å; R65-I155 WeakPolarHBondContact O-CA 3.38Å; R65-M156 PolarHBondContact N-O 3.41Å; R65-M156 PolarHBondContact O-N 3.21Å |
| 66 | Y | 97.5 | Very high | 95.8 | Very high | 1 Ų | 1 | 67.9 Ų | 67.9 | 0% | 0.004 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 140.6 | 175.6 | -78.9 | -98.8 | 0 | 0 | 0 | 110.5 | Y40 T41 A42 K72 R73 V153 I155 S180 V181 | Y40-Y66 PolarHBondContact O-N 3.43Å; T41-Y66 WeakPolarHBondContact O-CD2 3.39Å; T41-Y66 WeakPolarHBondContact O-CE2 3.48Å; A42-Y66 HydrophobicContact CB-CD2 3.72Å; A42-Y66 HydrophobicContact CB-CE2 3.33Å; Y66-K72 HydrophobicContact CD1-CD 3.65Å; Y66-K72 HydrophobicContact CD2-CD 4.28Å; Y66-K72 HydrophobicContact CE1-CD 4.41Å; Y66-K72 HydrophobicContact CG-CD 3.58Å; Y66-R73 PolarHBondContact OH-O 2.73Å; Y66-V153 HydrophobicContact CD1-CG1 4.44Å; Y66-V153 HydrophobicContact CE1-CG1 3.79Å; Y66-I155 HydrophobicContact CD1-CG2 3.88Å; Y66-I155 HydrophobicContact CD2-CG2 4.28Å; Y66-I155 HydrophobicContact CE1-CG2 4Å; Y66-I155 HydrophobicContact CE2-CG2 4.37Å; Y66-I155 HydrophobicContact CG-CG2 4.01Å; Y66-S180 PolarHBondContact OH-O 2.68Å; Y66-V181 PolarHBondContact OH-N 3.18Å |
| 67 | G | 96.3 | Very high | 96 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | trans | -63.8 | 156.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | H69 S70 K72 M144 H146 A154 | G67-H69 VanDerWaalsContact C-N 3.34Å; G67-H69 PolarHBondContact O-N 3.12Å; G67-S70 VanDerWaalsContact O-CB 3.24Å; G67-S70 WeakPolarHBondContact O-CB 3.5Å; G67-S70 PolarHBondContact O-N 3.11Å; G67-S70 VanDerWaalsContact O-N 3.16Å; G67-K72 PolarHBondContact O-NZ 3.2Å; G67-M144 WeakPolarHBondContact CA-O 3.32Å; G67-H146 VanDerWaalsContact CA-NE2 3.31Å; G67-H146 WeakPolarHBondContact CA-NE2 3.33Å; G67-A154 PolarHBondContact N-O 3.33Å | ||
| 68 | E | 94.5 | Very high | 96.1 | Very high | 113 Ų | 113 | 61.7 Ų | 61.7 | 53% | 0.528 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -50.7 | -172.3 | -174.5 | 178.5 | -162 | 0 | 0 | 111.2 | K72 T143 M144 | E68-K72 PolarHBondContact O-NZ 2.96Å; E68-K72 VanDerWaalsContact O-NZ 3.13Å; E68-T143 HydrophobicContact CB-CG2 3.97Å; E68-M144 WeakPolarHBondContact CB-O 3.47Å; E68-M144 PolarHBondContact N-O 3.08Å |
| 69 | H | 94.7 | Very high | 96.2 | Very high | 100 Ų | 100 | 57.8 Ų | 57.8 | 46% | 0.463 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | 1.8 | -176.4 | -60.2 | 82.7 | 0 | 0 | 0 | 113.2 | G67 | G67-H69 VanDerWaalsContact C-N 3.34Å; G67-H69 PolarHBondContact O-N 3.12Å |
| 70 | S | 96.7 | Very high | 96.2 | Very high | 4 Ų | 4 | 55.5 Ų | 55.5 | 3% | 0.028 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -69 | 134.2 | -178.2 | -178 | 0 | 0 | 0 | 0 | 111 | G67 K72 H146 A154 | G67-S70 VanDerWaalsContact O-CB 3.24Å; G67-S70 WeakPolarHBondContact O-CB 3.5Å; G67-S70 PolarHBondContact O-N 3.11Å; G67-S70 VanDerWaalsContact O-N 3.16Å; S70-K72 PolarHBondContact O-N 3.29Å; S70-K72 PolarHBondContact O-NZ 3.23Å; S70-H146 VanDerWaalsContact CA-CE1 3.49Å; S70-H146 WeakPolarHBondContact CA-CE1 3.23Å; S70-H146 PolarHBondContact N-CE1 2.79Å; S70-H146 PolarHBondContact N-NE2 3.43Å; S70-A154 VanDerWaalsContact CB-O 3.28Å; S70-A154 WeakPolarHBondContact CB-O 3.45Å; S70-A154 PolarHBondContact OG-N 3.42Å; S70-A154 PolarHBondContact OG-O 2.92Å |
| 71 | P | 96.6 | Very high | 96.2 | Very high | 22 Ų | 22 | 51 Ų | 51 | 14% | 0.143 | 23% | 0.232 | C | C | . | . | trans | -57.8 | 126 | 170.3 | -22.5 | 33.6 | 0 | 0 | 0 | 110.8 | R73 D151 I152 | P71-R73 VanDerWaalsContact C-N 3.27Å; P71-R73 HydrophobicContact CB-CG 4.18Å; P71-R73 PolarHBondContact O-N 2.98Å; P71-D151 HydrophobicContact CG-CB 4.48Å; P71-I152 WeakPolarHBondContact CD-O 3.33Å | ||
| 72 | K | 96.2 | Very high | 96.1 | Very high | 70 Ų | 70 | 49.4 Ų | 49.4 | 30% | 0.304 | 22% | 0.222 | S | C | . | . | trans | -84.3 | 70.3 | -179.6 | -50.9 | -58.1 | -173.8 | -93.3 | 0 | 110 | Y40 Y66 G67 E68 S70 V181 | Y40-K72 HydrophobicContact CD2-CD 4.1Å; Y40-K72 HydrophobicContact CD2-CG 4.3Å; Y40-K72 HydrophobicContact CG-CD 4.13Å; Y40-K72 HydrophobicContact CG-CG 4.42Å; Y66-K72 HydrophobicContact CD1-CD 3.65Å; Y66-K72 HydrophobicContact CD2-CD 4.28Å; Y66-K72 HydrophobicContact CE1-CD 4.41Å; Y66-K72 HydrophobicContact CG-CD 3.58Å; G67-K72 PolarHBondContact O-NZ 3.2Å; E68-K72 PolarHBondContact O-NZ 2.96Å; E68-K72 VanDerWaalsContact O-NZ 3.13Å; S70-K72 PolarHBondContact O-N 3.29Å; S70-K72 PolarHBondContact O-NZ 3.23Å; K72-V181 WeakPolarHBondContact O-CG2 3.48Å | ||
| 73 | R | 96.4 | Very high | 95.6 | Very high | 121 Ų | 121 | 48.1 Ų | 48.1 | 46% | 0.457 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -141.5 | 164.8 | -179.5 | 68.3 | -174.9 | -177.6 | -129.8 | 0.5 | 111.2 | Y66 P71 D151 V153 | Y66-R73 PolarHBondContact OH-O 2.73Å; P71-R73 VanDerWaalsContact C-N 3.27Å; P71-R73 HydrophobicContact CB-CG 4.18Å; P71-R73 PolarHBondContact O-N 2.98Å; R73-D151 PolarHBondContact NH2-O 3.45Å; R73-V153 HydrophobicContact CG-CG2 3.84Å |
| 74 | E | 96.9 | Very high | 95.3 | Very high | 129 Ų | 129 | 51 Ų | 51 | 60% | 0.603 | 24% | 0.244 | S | C | * | . | trans | -69.2 | 146.4 | -180 | -54.1 | -169.9 | 148.1 | 0 | 0 | 112 | I179 | E74-I179 VanDerWaalsContact CA-O 3.24Å; E74-I179 WeakPolarHBondContact CA-O 3.47Å | ||
| 75 | A | 97 | Very high | 94.8 | Very high | 11 Ų | 11 | 55.6 Ų | 55.6 | 9% | 0.091 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 144.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | A131 V153 I179 | A75-A131 HydrophobicContact CB-CB 3.69Å; A75-V153 HydrophobicContact CB-CB 3.99Å; A75-V153 HydrophobicContact CB-CG1 4.17Å; A75-V153 HydrophobicContact CB-CG2 4.07Å; A75-I179 HydrophobicContact CB-CB 4.49Å; A75-I179 PolarHBondContact N-O 3.26Å; A75-I179 PolarHBondContact O-N 3.3Å |
| 76 | R | 96.3 | Very high | 94.2 | Very high | 159 Ų | 159 | 60.9 Ų | 60.9 | 60% | 0.6 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 146.2 | -177.5 | -172.7 | -174.1 | 175.9 | -176.9 | -1.6 | 110.4 | A105 V176 M177 H178 | R76-A105 WeakPolarHBondContact O-CB 3.29Å; R76-V176 HydrophobicContact CG-CG1 4.4Å; R76-M177 VanDerWaalsContact CA-O 3.29Å; R76-M177 WeakPolarHBondContact CA-O 3.43Å; R76-M177 WeakPolarHBondContact CG-O 3.41Å; R76-H178 HydrophobicContact CG-CB 4.34Å |
| 77 | G | 96 | Very high | 93.8 | Very high | 5 Ų | 5 | 61.8 Ų | 61.8 | 5% | 0.052 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.1 | 173.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | A105 M177 | G77-A105 CarbonylContact C-O 3.48Å; G77-A105 WeakPolarHBondContact CA-O 3.31Å; G77-M177 PolarHBondContact N-O 2.95Å; G77-M177 PolarHBondContact O-N 3.01Å |
| 78 | R | 95.8 | Very high | 93.5 | Very high | 87 Ų | 87 | 65.3 Ų | 65.3 | 33% | 0.328 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 134.5 | 168.2 | -67.2 | 178.9 | 65.6 | -165.3 | -1.3 | 109.7 | A105 W106 V107 V176 | R78-A105 PolarHBondContact N-O 3.45Å; R78-A105 VanDerWaalsContact N-O 3.07Å; R78-W106 CarbonylContact O-C 3.6Å; R78-W106 WeakPolarHBondContact O-CA 3.21Å; R78-W106 VanDerWaalsContact O-CB 3.28Å; R78-W106 WeakPolarHBondContact O-CB 3.25Å; R78-V107 PolarHBondContact O-N 2.97Å; R78-V176 HydrophobicContact CG-CG2 4.03Å |
| 79 | V | 97 | Very high | 93.4 | Very high | 4 Ų | 4 | 64 Ų | 64 | 2% | 0.024 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 129 | 179.9 | -170.8 | 0 | 0 | 0 | 0 | 109.5 | V107 L109 I165 L169 V175 M177 | V79-V107 WeakPolarHBondContact CA-O 3.29Å; V79-L109 HydrophobicContact CG1-CB 3.64Å; V79-L109 HydrophobicContact CG1-CD2 4.08Å; V79-L109 HydrophobicContact CG1-CG 4.47Å; V79-I165 HydrophobicContact CG1-CG2 4.07Å; V79-L169 HydrophobicContact CB-CD1 4.35Å; V79-L169 HydrophobicContact CB-CD2 4.44Å; V79-L169 HydrophobicContact CG1-CD1 3.86Å; V79-V175 HydrophobicContact CB-CB 4.38Å; V79-V175 HydrophobicContact CG2-CB 4.26Å; V79-V175 HydrophobicContact CG2-CG1 3.99Å; V79-V175 PolarHBondContact N-O 3.01Å; V79-M177 HydrophobicContact CG2-CB 3.46Å; V79-M177 VanDerWaalsContact CG2-CB 3.46Å; V79-M177 HydrophobicContact CG2-CE 4.02Å |
| 80 | L | 96.1 | Very high | 93.3 | Very high | 20 Ų | 20 | 59.3 Ų | 59.3 | 11% | 0.105 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 140.1 | 176.4 | -58.1 | 177.8 | 0 | 0 | 0 | 110.2 | F97 V100 W106 V107 L109 | L80-F97 HydrophobicContact CB-CD1 4.39Å; L80-V100 HydrophobicContact CD1-CB 4.46Å; L80-V100 HydrophobicContact CD1-CG1 4.21Å; L80-V100 HydrophobicContact CD1-CG2 3.37Å; L80-W106 HydrophobicContact CB-CE3 3.78Å; L80-W106 HydrophobicContact CB-CZ3 4.02Å; L80-W106 HydrophobicContact CD1-CB 4.02Å; L80-W106 HydrophobicContact CD1-CD2 3.75Å; L80-W106 HydrophobicContact CD1-CE3 3.61Å; L80-W106 HydrophobicContact CD1-CG 3.97Å; L80-W106 HydrophobicContact CD1-CZ3 4.26Å; L80-W106 HydrophobicContact CG-CB 4.42Å; L80-W106 HydrophobicContact CG-CD2 4.48Å; L80-W106 HydrophobicContact CG-CE3 3.95Å; L80-V107 PolarHBondContact N-O 3.34Å; L80-L109 PolarHBondContact O-N 3.46Å |
| 81 | I | 95.1 | Very high | 93.1 | Very high | 30 Ų | 30 | 61.1 Ų | 61.1 | 15% | 0.154 | 30% | 0.304 | C | S | . | . | trans | -108.5 | 155.4 | 170.7 | 57.3 | 173.2 | 0 | 0 | 0 | 109.3 | G83 P98 L109 V166 L169 | I81-G83 PolarHBondContact O-N 3.38Å; I81-P98 VanDerWaalsContact O-CD 3.26Å; I81-P98 WeakPolarHBondContact O-CD 3.48Å; I81-L109 HydrophobicContact CG2-CB 3.9Å; I81-L109 HydrophobicContact CG2-CD2 4.03Å; I81-L109 HydrophobicContact CG2-CG 4.17Å; I81-V166 HydrophobicContact CG2-CG2 4.44Å; I81-L169 HydrophobicContact CG1-CD1 4.46Å; I81-L169 HydrophobicContact CG2-CD1 3.72Å | ||
| 82 | P | 93.7 | Very high | 92.8 | Very high | 3 Ų | 3 | 63.6 Ų | 63.6 | 2% | 0.019 | 32% | 0.316 | C | S | . | . | trans | -52.4 | 138.7 | 170.8 | -29.2 | 38.4 | 0 | 0 | 0 | 112 | L84 D87 V95 F97 V110 | P82-L84 VanDerWaalsContact C-N 3.33Å; P82-L84 PolarHBondContact O-N 2.95Å; P82-D87 HydrophobicContact CB-CB 3.79Å; P82-D87 WeakPolarHBondContact CB-O 3.47Å; P82-D87 VanDerWaalsContact CG-O 3.27Å; P82-D87 WeakPolarHBondContact CG-O 3.47Å; P82-V95 HydrophobicContact CB-CG2 3.74Å; P82-V95 HydrophobicContact CG-CG2 3.78Å; P82-F97 HydrophobicContact CG-CD1 4.48Å; P82-F97 HydrophobicContact CG-CE1 3.83Å; P82-F97 HydrophobicContact CG-CZ 4.12Å; P82-V110 HydrophobicContact CG-CG1 4.29Å | ||
| 83 | G | 86.9 | Confident | 92.5 | Very high | 56 Ų | 56 | 64.6 Ų | 64.6 | 58% | 0.577 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -68.4 | -28.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | I81 R96 | I81-G83 PolarHBondContact O-N 3.38Å; G83-R96 PolarHBondContact N-O 3.2Å |
| 84 | L | 88.4 | Confident | 92.2 | Very high | 90 Ų | 90 | 64.7 Ų | 64.7 | 47% | 0.471 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -98.9 | 137.8 | 179 | -64.2 | 172.6 | 0 | 0 | 0 | 110.7 | P82 Q86 D87 | P82-L84 VanDerWaalsContact C-N 3.33Å; P82-L84 PolarHBondContact O-N 2.95Å; L84-Q86 VanDerWaalsContact C-N 3.26Å; L84-Q86 HydrophobicContact CB-CG 4.16Å; L84-Q86 PolarHBondContact O-N 3.41Å; L84-D87 HydrophobicContact CB-CB 4.27Å; L84-D87 PolarHBondContact O-N 2.97Å |
| 85 | P | 85.6 | Confident | 91.9 | Very high | 97 Ų | 97 | 59 Ų | 59 | 63% | 0.63 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -56.7 | -37.4 | 178.3 | -27.1 | 35 | 0 | 0 | 0 | 114.1 | D87 R88 | P85-D87 PolarHBondContact O-N 3.42Å; P85-R88 WeakPolarHBondContact O-CB 3.41Å; P85-R88 VanDerWaalsContact O-CG 3.31Å; P85-R88 WeakPolarHBondContact O-CG 3.31Å; P85-R88 PolarHBondContact O-N 3.06Å |
| 86 | Q | 85.2 | Confident | 91.5 | Very high | 156 Ų | 156 | 68.1 Ų | 68.1 | 73% | 0.729 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -66.3 | -24.8 | 177.9 | 71.5 | -165.5 | 11.3 | 0 | 0 | 112.9 | L84 | L84-Q86 VanDerWaalsContact C-N 3.26Å; L84-Q86 HydrophobicContact CB-CG 4.16Å; L84-Q86 PolarHBondContact O-N 3.41Å |
| 87 | D | 89.5 | Confident | 91.3 | Very high | 21 Ų | 21 | 61.9 Ų | 61.9 | 11% | 0.112 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -92.1 | -1.5 | -177.3 | -63.4 | -11.4 | 0 | 0 | 0 | 112.5 | P82 L84 P85 Q89 G90 V95 | P82-D87 HydrophobicContact CB-CB 3.79Å; P82-D87 WeakPolarHBondContact CB-O 3.47Å; P82-D87 VanDerWaalsContact CG-O 3.27Å; P82-D87 WeakPolarHBondContact CG-O 3.47Å; L84-D87 HydrophobicContact CB-CB 4.27Å; L84-D87 PolarHBondContact O-N 2.97Å; P85-D87 PolarHBondContact O-N 3.42Å; D87-Q89 PolarHBondContact O-N 3.1Å; D87-G90 PolarHBondContact O-N 2.95Å; D87-V95 HydrophobicContact CB-CG2 4.09Å |
| 88 | R | 89.9 | Confident | 91 | Very high | 74 Ų | 74 | 64.2 Ų | 64.2 | 28% | 0.279 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -22.9 | -176.7 | -74.6 | -178 | -179.7 | -159.4 | 0.3 | 113.7 | P85 G90 A111 E170 | P85-R88 WeakPolarHBondContact O-CB 3.41Å; P85-R88 VanDerWaalsContact O-CG 3.31Å; P85-R88 WeakPolarHBondContact O-CG 3.31Å; P85-R88 PolarHBondContact O-N 3.06Å; R88-G90 VanDerWaalsContact C-N 3.34Å; R88-A111 PolarHBondContact O-N 3.1Å; R88-E170 IonicContact CZ-OE1 3.16Å; R88-E170 IonicContact NH1-OE1 2.75Å; R88-E170 PolarHBondContact NH1-OE1 3.43Å; R88-E170 IonicContact NH2-OE1 2.68Å; R88-E170 PolarHBondContact NH2-OE1 3.41Å |
| 89 | Q | 92.3 | Very high | 90.5 | Very high | 84 Ų | 84 | 66.5 Ų | 66.5 | 39% | 0.393 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -13 | 175.4 | -60.9 | -178.2 | 19.8 | 0 | 0 | 113.3 | D87 C91 A111 G113 K120 | D87-Q89 PolarHBondContact O-N 3.1Å; Q89-C91 PolarHBondContact O-N 3.31Å; Q89-A111 HydrophobicContact CG-CB 4.48Å; Q89-G113 VanDerWaalsContact OE1-CA 3.3Å; Q89-K120 WeakPolarHBondContact O-CG 3.12Å; Q89-K120 PolarHBondContact O-NZ 3.28Å |
| 90 | G | 91.1 | Very high | 89.9 | Confident | 2 Ų | 2 | 68.1 Ų | 68.1 | 2% | 0.021 | 37% | 0.372 | C | S | . | . | trans | 66.1 | 19.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | D87 R88 N123 | D87-G90 PolarHBondContact O-N 2.95Å; R88-G90 VanDerWaalsContact C-N 3.34Å; G90-N123 PolarHBondContact O-ND2 2.99Å | ||
| 91 | C | 92.9 | Very high | 89.4 | Confident | 43 Ų | 43 | 70.8 Ų | 70.8 | 29% | 0.291 | 39% | 0.391 | S | S | . | . | trans | -79.8 | -28.4 | -176.9 | -63.3 | 0 | 0 | 0 | 0 | 113.6 | Q89 C115 N123 | Q89-C91 PolarHBondContact O-N 3.31Å; C91-C115 WeakPolarHBondContact CA-SG 3.27Å; C91-C115 HydrophobicContact CB-CB 3.7Å; C91-C115 WeakPolarHBondContact CB-SG 3.48Å; C91-C115 WeakPolarHBondContact SG-CB 3.46Å; C91-C115 CovalentContact SG-SG 2.04Å; C91-C115 PolarHBondContact SG-SG 3.33Å; C91-N123 PolarHBondContact O-ND2 3.05Å | ||
| 92 | D | 91.6 | Very high | 88.6 | Confident | 73 Ų | 73 | 78.2 Ų | 78.2 | 39% | 0.39 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -72.1 | 127 | 177.6 | -167.2 | -35.1 | 0 | 0 | 0 | 110.2 | N94 V95 N123 | D92-N94 PolarHBondContact O-N 3.33Å; D92-N94 WeakPolarHBondContact OD1-CA 3.38Å; D92-N94 WeakPolarHBondContact OD1-CB 3.37Å; D92-N94 PolarHBondContact OD1-N 3.36Å; D92-V95 VanDerWaalsContact O-CB 3.27Å; D92-V95 WeakPolarHBondContact O-CB 3.45Å; D92-V95 VanDerWaalsContact O-CG1 3.29Å; D92-V95 WeakPolarHBondContact O-CG1 3.25Å; D92-V95 PolarHBondContact O-N 2.94Å; D92-N123 PolarHBondContact O-ND2 3.41Å |
| 93 | P | 89.8 | Confident | 88.1 | Confident | 91 Ų | 91 | 86.4 Ų | 86.4 | 59% | 0.591 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -21.8 | 174.3 | 25.5 | -35.6 | 0 | 0 | 0 | 113.9 | ||
| 94 | N | 89.1 | Confident | 88.1 | Confident | 124 Ų | 124 | 86.2 Ų | 86.2 | 66% | 0.663 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 16.9 | 176.5 | -56.9 | -65.2 | 0 | 0 | 0 | 112.9 | D92 R96 | D92-N94 PolarHBondContact O-N 3.33Å; D92-N94 WeakPolarHBondContact OD1-CA 3.38Å; D92-N94 WeakPolarHBondContact OD1-CB 3.37Å; D92-N94 PolarHBondContact OD1-N 3.36Å; N94-R96 WeakPolarHBondContact O-CG 3.17Å; N94-R96 PolarHBondContact O-N 3.44Å |
| 95 | V | 90.3 | Very high | 88.4 | Confident | 9 Ų | 9 | 84.4 Ų | 84.4 | 6% | 0.055 | 45% | 0.454 | C | S | . | . | P | Polyproline II helix | trans | -49.2 | 127.4 | 177 | 59.5 | 0 | 0 | 0 | 0 | 110.7 | P82 D87 D92 F97 N123 | P82-V95 HydrophobicContact CB-CG2 3.74Å; P82-V95 HydrophobicContact CG-CG2 3.78Å; D87-V95 HydrophobicContact CB-CG2 4.09Å; D92-V95 VanDerWaalsContact O-CB 3.27Å; D92-V95 WeakPolarHBondContact O-CB 3.45Å; D92-V95 VanDerWaalsContact O-CG1 3.29Å; D92-V95 WeakPolarHBondContact O-CG1 3.25Å; D92-V95 PolarHBondContact O-N 2.94Å; V95-F97 HydrophobicContact CG1-CE2 3.83Å; V95-F97 HydrophobicContact CG1-CZ 4.49Å; V95-F97 HydrophobicContact CG2-CE2 4.07Å; V95-F97 HydrophobicContact CG2-CZ 4.28Å; V95-N123 HydrophobicContact CG1-CB 3.98Å |
| 96 | R | 89.8 | Confident | 88.9 | Confident | 203 Ų | 203 | 80.4 Ų | 80.4 | 77% | 0.766 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -103.4 | 121.1 | -178.1 | -63.9 | -167.3 | 179.7 | -154 | 0.1 | 111.1 | G83 N94 | G83-R96 PolarHBondContact N-O 3.2Å; N94-R96 WeakPolarHBondContact O-CG 3.17Å; N94-R96 PolarHBondContact O-N 3.44Å |
| 97 | F | 91.3 | Very high | 89.5 | Confident | 28 Ų | 28 | 73 Ų | 73 | 12% | 0.123 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -92 | 149.7 | 168 | -64.5 | -88.8 | 0 | 0 | 0 | 110.3 | L80 P82 V95 W106 A108 V110 A124 | L80-F97 HydrophobicContact CB-CD1 4.39Å; P82-F97 HydrophobicContact CG-CD1 4.48Å; P82-F97 HydrophobicContact CG-CE1 3.83Å; P82-F97 HydrophobicContact CG-CZ 4.12Å; V95-F97 HydrophobicContact CG1-CE2 3.83Å; V95-F97 HydrophobicContact CG1-CZ 4.49Å; V95-F97 HydrophobicContact CG2-CE2 4.07Å; V95-F97 HydrophobicContact CG2-CZ 4.28Å; F97-W106 HydrophobicContact CB-CH2 3.9Å; F97-W106 HydrophobicContact CB-CZ3 4.25Å; F97-W106 AromaticContact CD1-CH2 3.72Å; F97-W106 HydrophobicContact CD1-CH2 3.72Å; F97-W106 AromaticContact CD1-CZ3 3.59Å; F97-W106 HydrophobicContact CD1-CZ3 3.59Å; F97-W106 AromaticContact CD2-CH2 3.64Å; F97-W106 HydrophobicContact CD2-CH2 3.64Å; F97-W106 HydrophobicContact CD2-CZ3 4.36Å; F97-W106 HydrophobicContact CE1-CH2 4.13Å; F97-W106 AromaticContact CE1-CZ3 3.96Å; F97-W106 HydrophobicContact CE1-CZ3 3.96Å; F97-W106 HydrophobicContact CE2-CH2 4.05Å; F97-W106 AromaticContact CG-CH2 3.45Å; F97-W106 HydrophobicContact CG-CH2 3.45Å; F97-W106 VanDerWaalsContact CG-CH2 3.45Å; F97-W106 HydrophobicContact CG-CZ2 4.42Å; F97-W106 AromaticContact CG-CZ3 3.8Å; F97-W106 HydrophobicContact CG-CZ3 3.8Å; F97-W106 HydrophobicContact CZ-CH2 4.28Å; F97-W106 HydrophobicContact CZ-CZ3 4.5Å; F97-A108 HydrophobicContact CE1-CB 3.95Å; F97-A108 HydrophobicContact CZ-CB 4.06Å; F97-V110 HydrophobicContact CZ-CG1 4.34Å; F97-A124 HydrophobicContact CE2-CB 4.49Å; F97-A124 HydrophobicContact CZ-CB 4.26Å |
| 98 | P | 89.6 | Confident | 89.9 | Confident | 54 Ų | 54 | 72 Ų | 72 | 35% | 0.351 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 141.5 | 173.2 | -25.7 | 34.1 | 0 | 0 | 0 | 111.6 | I81 V100 | I81-P98 VanDerWaalsContact O-CD 3.26Å; I81-P98 WeakPolarHBondContact O-CD 3.48Å; P98-V100 PolarHBondContact O-N 3.46Å |
| 99 | P | 84.9 | Confident | 90.3 | Very high | 134 Ų | 134 | 68.5 Ų | 68.5 | 87% | 0.87 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 131.3 | 179.6 | 26.4 | -33.3 | 0 | 0 | 0 | 110.4 | ||
| 100 | V | 85.3 | Confident | 90.4 | Very high | 38 Ų | 38 | 64.5 Ų | 64.5 | 23% | 0.23 | 36% | 0.355 | C | S | . | . | trans | -105.4 | 144.8 | 176.7 | -135.2 | 0 | 0 | 0 | 0 | 108 | L80 P98 T104 W106 | L80-V100 HydrophobicContact CD1-CB 4.46Å; L80-V100 HydrophobicContact CD1-CG1 4.21Å; L80-V100 HydrophobicContact CD1-CG2 3.37Å; P98-V100 PolarHBondContact O-N 3.46Å; V100-T104 WeakPolarHBondContact CB-OG1 3.34Å; V100-T104 WeakPolarHBondContact CG1-OG1 3.34Å; V100-W106 HydrophobicContact CG1-CB 4.36Å; V100-W106 HydrophobicContact CG2-CB 4.41Å; V100-W106 HydrophobicContact CG2-CD2 4.38Å; V100-W106 HydrophobicContact CG2-CG 3.95Å | ||
| 101 | P | 84.7 | Confident | 90.6 | Very high | 76 Ų | 76 | 65 Ų | 65 | 49% | 0.494 | 36% | 0.359 | S | S | . | . | trans | -54.8 | 152 | 174.8 | -25 | 35.4 | 0 | 0 | 0 | 111.9 | N103 T104 | P101-N103 PolarHBondContact O-N 2.89Å; P101-T104 HydrophobicContact CB-CG2 3.93Å; P101-T104 HydrophobicContact CG-CG2 4.35Å; P101-T104 PolarHBondContact O-N 3.35Å; P101-T104 PolarHBondContact O-OG1 2.98Å | ||
| 102 | Q | 79.8 | Confident | 90.6 | Very high | 187 Ų | 187 | 65.4 Ų | 65.4 | 87% | 0.874 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 139.8 | 178.2 | -69.2 | -178.4 | -14.4 | 0 | 0 | 110.3 | T104 | Q102-T104 VanDerWaalsContact C-N 3.28Å; Q102-T104 PolarHBondContact O-N 2.95Å |
| 103 | N | 81.3 | Confident | 90.5 | Very high | 175 Ų | 175 | 63.2 Ų | 63.2 | 94% | 0.936 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 15.6 | -177.8 | -60.8 | -14.1 | 0 | 0 | 0 | 116.7 | P101 | P101-N103 PolarHBondContact O-N 2.89Š|
| 104 | T | 88.5 | Confident | 90.5 | Very high | 52 Ų | 52 | 67 Ų | 67 | 32% | 0.319 | 37% | 0.366 | S | S | . | . | trans | -92.8 | 119.5 | 170.7 | 60.7 | 0 | 0 | 0 | 0 | 111.4 | V100 P101 Q102 | V100-T104 WeakPolarHBondContact CB-OG1 3.34Å; V100-T104 WeakPolarHBondContact CG1-OG1 3.34Å; P101-T104 HydrophobicContact CB-CG2 3.93Å; P101-T104 HydrophobicContact CG-CG2 4.35Å; P101-T104 PolarHBondContact O-N 3.35Å; P101-T104 PolarHBondContact O-OG1 2.98Å; Q102-T104 VanDerWaalsContact C-N 3.28Å; Q102-T104 PolarHBondContact O-N 2.95Å | ||
| 105 | A | 94.2 | Very high | 90.6 | Very high | 51 Ų | 51 | 62.3 Ų | 62.3 | 42% | 0.421 | 34% | 0.343 | S | S | . | . | trans | -65.1 | 137.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | R76 G77 R78 S130 | R76-A105 WeakPolarHBondContact O-CB 3.29Å; G77-A105 CarbonylContact C-O 3.48Å; G77-A105 WeakPolarHBondContact CA-O 3.31Å; R78-A105 PolarHBondContact N-O 3.45Å; R78-A105 VanDerWaalsContact N-O 3.07Å; A105-S130 WeakPolarHBondContact CB-OG 3.27Å | ||
| 106 | W | 96.4 | Very high | 90.8 | Very high | 13 Ų | 13 | 65.4 Ų | 65.4 | 5% | 0.049 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 154.7 | -177.9 | 70.9 | -83.8 | 0 | 0 | 0 | 111.2 | R78 L80 F97 V100 A108 S127 N128 A129 S130 | R78-W106 CarbonylContact O-C 3.6Å; R78-W106 WeakPolarHBondContact O-CA 3.21Å; R78-W106 VanDerWaalsContact O-CB 3.28Å; R78-W106 WeakPolarHBondContact O-CB 3.25Å; L80-W106 HydrophobicContact CB-CE3 3.78Å; L80-W106 HydrophobicContact CB-CZ3 4.02Å; L80-W106 HydrophobicContact CD1-CB 4.02Å; L80-W106 HydrophobicContact CD1-CD2 3.75Å; L80-W106 HydrophobicContact CD1-CE3 3.61Å; L80-W106 HydrophobicContact CD1-CG 3.97Å; L80-W106 HydrophobicContact CD1-CZ3 4.26Å; L80-W106 HydrophobicContact CG-CB 4.42Å; L80-W106 HydrophobicContact CG-CD2 4.48Å; L80-W106 HydrophobicContact CG-CE3 3.95Å; F97-W106 HydrophobicContact CB-CH2 3.9Å; F97-W106 HydrophobicContact CB-CZ3 4.25Å; F97-W106 AromaticContact CD1-CH2 3.72Å; F97-W106 HydrophobicContact CD1-CH2 3.72Å; F97-W106 AromaticContact CD1-CZ3 3.59Å; F97-W106 HydrophobicContact CD1-CZ3 3.59Å; F97-W106 AromaticContact CD2-CH2 3.64Å; F97-W106 HydrophobicContact CD2-CH2 3.64Å; F97-W106 HydrophobicContact CD2-CZ3 4.36Å; F97-W106 HydrophobicContact CE1-CH2 4.13Å; F97-W106 AromaticContact CE1-CZ3 3.96Å; F97-W106 HydrophobicContact CE1-CZ3 3.96Å; F97-W106 HydrophobicContact CE2-CH2 4.05Å; F97-W106 AromaticContact CG-CH2 3.45Å; F97-W106 HydrophobicContact CG-CH2 3.45Å; F97-W106 VanDerWaalsContact CG-CH2 3.45Å; F97-W106 HydrophobicContact CG-CZ2 4.42Å; F97-W106 AromaticContact CG-CZ3 3.8Å; F97-W106 HydrophobicContact CG-CZ3 3.8Å; F97-W106 HydrophobicContact CZ-CH2 4.28Å; F97-W106 HydrophobicContact CZ-CZ3 4.5Å; V100-W106 HydrophobicContact CG1-CB 4.36Å; V100-W106 HydrophobicContact CG2-CB 4.41Å; V100-W106 HydrophobicContact CG2-CD2 4.38Å; V100-W106 HydrophobicContact CG2-CG 3.95Å; W106-A108 HydrophobicContact CE3-CB 4.37Å; W106-A108 HydrophobicContact CH2-CB 4.11Å; W106-A108 HydrophobicContact CZ3-CB 3.56Å; W106-S127 VanDerWaalsContact CZ2-O 3.29Å; W106-S127 WeakPolarHBondContact CZ2-O 3.29Å; W106-N128 PolarHBondContact NE1-O 3.39Å; W106-A129 HydrophobicContact CD2-CB 4.25Å; W106-A129 HydrophobicContact CE3-CB 4.25Å; W106-A129 HydrophobicContact CH2-CB 3.71Å; W106-A129 HydrophobicContact CZ2-CB 3.65Å; W106-A129 HydrophobicContact CZ3-CB 4.02Å; W106-S130 PolarHBondContact N-OG 3.21Å; W106-S130 WeakPolarHBondContact O-CB 3.27Å; W106-S130 PolarHBondContact O-N 2.88Å |
| 107 | V | 97.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 124.5 | -176.4 | -179.9 | 0 | 0 | 0 | 0 | 108.1 | R78 V79 L80 A131 V133 M177 I179 | R78-V107 PolarHBondContact O-N 2.97Å; V79-V107 WeakPolarHBondContact CA-O 3.29Å; L80-V107 PolarHBondContact N-O 3.34Å; V107-A131 WeakPolarHBondContact CA-O 3.21Å; V107-A131 HydrophobicContact CG1-CB 4.16Å; V107-A131 HydrophobicContact CG2-CB 4.22Å; V107-V133 HydrophobicContact CG1-CB 4.4Å; V107-V133 HydrophobicContact CG1-CG2 3.46Å; V107-V133 VanDerWaalsContact CG1-CG2 3.46Å; V107-M177 HydrophobicContact CG1-SD 4.16Å; V107-I179 HydrophobicContact CG1-CD1 4.37Å |
| 108 | A | 97.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 124 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | F97 W106 A124 A129 A131 V133 | F97-A108 HydrophobicContact CE1-CB 3.95Å; F97-A108 HydrophobicContact CZ-CB 4.06Å; W106-A108 HydrophobicContact CE3-CB 4.37Å; W106-A108 HydrophobicContact CH2-CB 4.11Å; W106-A108 HydrophobicContact CZ3-CB 3.56Å; A108-A124 HydrophobicContact CB-CB 3.7Å; A108-A129 HydrophobicContact CB-CB 4.15Å; A108-A131 PolarHBondContact N-O 3.49Å; A108-V133 PolarHBondContact O-N 2.84Å |
| 109 | L | 97.4 | Very high | 91.6 | Very high | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 118.8 | 169.9 | -179.2 | 67.4 | 0 | 0 | 0 | 108.7 | V79 L80 I81 V133 Y135 I157 I165 V166 L169 | V79-L109 HydrophobicContact CG1-CB 3.64Å; V79-L109 HydrophobicContact CG1-CD2 4.08Å; V79-L109 HydrophobicContact CG1-CG 4.47Å; L80-L109 PolarHBondContact O-N 3.46Å; I81-L109 HydrophobicContact CG2-CB 3.9Å; I81-L109 HydrophobicContact CG2-CD2 4.03Å; I81-L109 HydrophobicContact CG2-CG 4.17Å; L109-V133 WeakPolarHBondContact CA-O 3.45Å; L109-V133 HydrophobicContact CD1-CB 3.99Å; L109-V133 HydrophobicContact CD1-CG1 3.71Å; L109-Y135 HydrophobicContact CD1-CD1 3.79Å; L109-Y135 HydrophobicContact CD1-CE1 4.48Å; L109-Y135 HydrophobicContact CG-CD1 4.1Å; L109-Y135 HydrophobicContact CG-CE1 4.29Å; L109-I157 HydrophobicContact CD1-CD1 4.21Å; L109-I165 HydrophobicContact CD2-CB 3.97Å; L109-I165 HydrophobicContact CD2-CG2 3.62Å; L109-V166 HydrophobicContact CD2-CG2 3.85Å; L109-L169 HydrophobicContact CD2-CD1 4.27Å |
| 110 | V | 96.1 | Very high | 92 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.006 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 146.8 | -178.1 | -63.8 | 0 | 0 | 0 | 0 | 111.1 | P82 F97 V132 V133 I134 Y135 | P82-V110 HydrophobicContact CG-CG1 4.29Å; F97-V110 HydrophobicContact CZ-CG1 4.34Å; V110-V132 HydrophobicContact CG2-CG1 4.22Å; V110-V133 PolarHBondContact N-O 3.33Å; V110-I134 HydrophobicContact CG2-CB 4.38Å; V110-I134 HydrophobicContact CG2-CD1 4.34Å; V110-I134 HydrophobicContact CG2-CG1 3.75Å; V110-I134 HydrophobicContact CG2-CG2 4.5Å; V110-I134 WeakPolarHBondContact O-CA 3.26Å; V110-Y135 WeakPolarHBondContact O-CD1 3.49Å; V110-Y135 PolarHBondContact O-N 3.4Å |
| 111 | A | 94.4 | Very high | 92.6 | Very high | 12 Ų | 12 | 53.5 Ų | 53.5 | 10% | 0.099 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 147.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | R88 Q89 K120 Y135 | R88-A111 PolarHBondContact O-N 3.1Å; Q89-A111 HydrophobicContact CG-CB 4.48Å; A111-K120 PolarHBondContact O-NZ 3.45Å; A111-K120 VanDerWaalsContact O-NZ 3.11Å; A111-Y135 VanDerWaalsContact CA-CE1 3.49Å; A111-Y135 HydrophobicContact CB-CE1 3.85Å; A111-Y135 HydrophobicContact CB-CE2 4.03Å; A111-Y135 VanDerWaalsContact CB-CZ 3.49Å; A111-Y135 WeakPolarHBondContact CB-OH 3.29Å |
| 112 | E | 93.6 | Very high | 93.1 | Very high | 52 Ų | 52 | 55.8 Ų | 55.8 | 24% | 0.243 | 29% | 0.291 | C | S | . | . | trans | -54.6 | 147.6 | 158.2 | -168.4 | -177.6 | -144.5 | 0 | 0 | 110.4 | Y135 N136 S137 | E112-Y135 WeakPolarHBondContact CB-O 3.38Å; E112-Y135 PolarHBondContact N-O 3.17Å; E112-N136 PolarHBondContact OE2-OD1 3.4Å; E112-S137 VanDerWaalsContact OE2-CB 3.26Å; E112-S137 WeakPolarHBondContact OE2-CB 3.33Å; E112-S137 PolarHBondContact OE2-N 3.42Å; E112-S137 PolarHBondContact OE2-OG 2.95Å | ||
| 113 | G | 88.1 | Confident | 93.7 | Very high | 27 Ų | 27 | 47.6 Ų | 47.6 | 28% | 0.278 | 25% | 0.254 | S | S | . | . | trans | -169.2 | -169.4 | -176 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q89 C115 K120 | Q89-G113 VanDerWaalsContact OE1-CA 3.3Å; G113-C115 PolarHBondContact O-N 2.95Å; G113-C115 VanDerWaalsContact O-N 3.09Å; G113-K120 VanDerWaalsContact N-NZ 3.13Å | ||
| 114 | N | 89.8 | Confident | 94.3 | Very high | 169 Ų | 169 | 39.3 Ų | 39.3 | 90% | 0.904 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -85.2 | 22.8 | -167.7 | -158.7 | 24.5 | 0 | 0 | 0 | 115.2 | ||
| 115 | C | 92.5 | Very high | 94.5 | Very high | 27 Ų | 27 | 38.1 Ų | 38.1 | 18% | 0.182 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -126.5 | 162.6 | 176.8 | 63 | 0 | 0 | 0 | 0 | 109.7 | C91 G113 E119 K120 | C91-C115 WeakPolarHBondContact CA-SG 3.27Å; C91-C115 HydrophobicContact CB-CB 3.7Å; C91-C115 WeakPolarHBondContact CB-SG 3.48Å; C91-C115 WeakPolarHBondContact SG-CB 3.46Å; C91-C115 CovalentContact SG-SG 2.04Å; C91-C115 PolarHBondContact SG-SG 3.33Å; G113-C115 PolarHBondContact O-N 2.95Å; G113-C115 VanDerWaalsContact O-N 3.09Å; C115-E119 WeakPolarHBondContact CB-OE2 3.28Å; C115-K120 VanDerWaalsContact O-CE 3.29Å; C115-K120 WeakPolarHBondContact O-CE 3.39Å; C115-K120 WeakPolarHBondContact SG-CE 3.32Å; C115-K120 WeakPolarHBondContact SG-CG 2.99Å; C115-K120 PolarHBondContact SG-NZ 3.29Å; C115-K120 VanDerWaalsContact SG-NZ 3.45Å |
| 116 | T | 95.1 | Very high | 94.4 | Very high | 74 Ų | 74 | 41.3 Ų | 41.3 | 45% | 0.454 | 22% | 0.215 | S | C | . | . | trans | -68 | 151.2 | -173.6 | 64.9 | 0 | 0 | 0 | 0 | 111.8 | R118 E119 K120 | T116-R118 PolarHBondContact O-N 3.15Å; T116-E119 PolarHBondContact N-OE2 3.34Å; T116-E119 PolarHBondContact O-N 3.48Å; T116-E119 VanDerWaalsContact O-N 3.16Å; T116-E119 WeakPolarHBondContact OG1-CB 3.5Å; T116-E119 WeakPolarHBondContact OG1-CG 3.18Å; T116-E119 PolarHBondContact OG1-N 3.5Å; T116-E119 PolarHBondContact OG1-OE2 2.98Å; T116-K120 PolarHBondContact O-N 3.09Å | ||
| 117 | F | 95.8 | Very high | 94.1 | Very high | 33 Ų | 33 | 42.8 Ų | 42.8 | 15% | 0.145 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -55.9 | -39.5 | 173.3 | -60.3 | -62.8 | 0 | 0 | 0 | 111.4 | E119 K120 I121 I134 I142 M144 M156 | F117-E119 PolarHBondContact O-N 3.09Å; F117-K120 PolarHBondContact O-N 3.22Å; F117-I121 HydrophobicContact CB-CD1 4.38Å; F117-I121 WeakPolarHBondContact O-CB 3.29Å; F117-I121 WeakPolarHBondContact O-CD1 3.4Å; F117-I121 WeakPolarHBondContact O-CG1 3.28Å; F117-I121 PolarHBondContact O-N 3.05Å; F117-I134 HydrophobicContact CB-CD1 4.48Å; F117-I134 HydrophobicContact CD1-CD1 3.89Å; F117-I134 HydrophobicContact CD1-CG2 4.42Å; F117-I134 HydrophobicContact CE1-CG2 4.4Å; F117-I142 HydrophobicContact CE2-CD1 3.92Å; F117-I142 HydrophobicContact CZ-CD1 3.9Å; F117-M144 HydrophobicContact CB-CB 4.13Å; F117-M144 HydrophobicContact CB-CG 4.48Å; F117-M144 HydrophobicContact CB-SD 4.37Å; F117-M144 HydrophobicContact CD1-CB 4.43Å; F117-M144 HydrophobicContact CD1-CG 3.9Å; F117-M144 HydrophobicContact CD1-SD 3.61Å; F117-M144 HydrophobicContact CD2-CB 3.98Å; F117-M144 HydrophobicContact CD2-CG 4.07Å; F117-M144 HydrophobicContact CE1-CG 4.13Å; F117-M144 HydrophobicContact CE1-SD 4.08Å; F117-M144 HydrophobicContact CE2-CG 4.28Å; F117-M144 HydrophobicContact CG-CB 3.92Å; F117-M144 HydrophobicContact CG-CG 3.88Å; F117-M144 HydrophobicContact CG-SD 4.01Å; F117-M144 HydrophobicContact CZ-CG 4.32Å; F117-M156 HydrophobicContact CD1-CE 4.26Å; F117-M156 HydrophobicContact CE1-CE 3.38Å; F117-M156 HydrophobicContact CZ-CE 3.57Å |
| 118 | R | 95.7 | Very high | 93.8 | Very high | 81 Ų | 81 | 49.3 Ų | 49.3 | 31% | 0.306 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -54 | -49.2 | 175.2 | -177.2 | 176.6 | -174.7 | -108.5 | 16 | 112.6 | T116 R122 H146 S147 D148 T149 | T116-R118 PolarHBondContact O-N 3.15Å; R118-R122 VanDerWaalsContact O-CB 3.27Å; R118-R122 WeakPolarHBondContact O-CB 3.48Å; R118-R122 PolarHBondContact O-N 3.01Å; R118-H146 HydrophobicContact CB-CB 4.38Å; R118-S147 VanDerWaalsContact CD-O 3.23Å; R118-S147 WeakPolarHBondContact CD-O 3.28Å; R118-S147 PolarHBondContact NE-O 2.89Å; R118-D148 IonicContact CZ-OD2 2.81Å; R118-D148 IonicContact NE-OD2 2.95Å; R118-D148 IonicContact NH2-OD2 2.76Å; R118-D148 PolarHBondContact NH2-OD2 2.84Å; R118-T149 HydrophobicContact CB-CG2 4.39Å; R118-T149 HydrophobicContact CG-CG2 3.81Å |
| 119 | E | 94.9 | Very high | 93.7 | Very high | 91 Ų | 91 | 49.8 Ų | 49.8 | 43% | 0.425 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.3 | -48.2 | -179.8 | -74.8 | 159.3 | 160.6 | 0 | 0 | 111.4 | C115 T116 F117 I121 R122 N123 | C115-E119 WeakPolarHBondContact CB-OE2 3.28Å; T116-E119 PolarHBondContact N-OE2 3.34Å; T116-E119 PolarHBondContact O-N 3.48Å; T116-E119 VanDerWaalsContact O-N 3.16Å; T116-E119 WeakPolarHBondContact OG1-CB 3.5Å; T116-E119 WeakPolarHBondContact OG1-CG 3.18Å; T116-E119 PolarHBondContact OG1-N 3.5Å; T116-E119 PolarHBondContact OG1-OE2 2.98Å; F117-E119 PolarHBondContact O-N 3.09Å; E119-I121 PolarHBondContact O-N 3.29Å; E119-R122 PolarHBondContact O-N 3.46Å; E119-N123 WeakPolarHBondContact O-CB 3.29Å; E119-N123 PolarHBondContact O-N 2.87Å; E119-N123 PolarHBondContact O-ND2 3.47Å; E119-N123 PolarHBondContact O-OD1 3.03Å |
| 120 | K | 94.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 52 Ų | 52 | 0% | 0.004 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.3 | -47.7 | 178.5 | -61.8 | 170.7 | -174.8 | -81.4 | 0 | 111.7 | Q89 A111 G113 C115 T116 F117 R122 N123 A124 I134 | Q89-K120 WeakPolarHBondContact O-CG 3.12Å; Q89-K120 PolarHBondContact O-NZ 3.28Å; A111-K120 PolarHBondContact O-NZ 3.45Å; A111-K120 VanDerWaalsContact O-NZ 3.11Å; G113-K120 VanDerWaalsContact N-NZ 3.13Å; C115-K120 VanDerWaalsContact O-CE 3.29Å; C115-K120 WeakPolarHBondContact O-CE 3.39Å; C115-K120 WeakPolarHBondContact SG-CE 3.32Å; C115-K120 WeakPolarHBondContact SG-CG 2.99Å; C115-K120 PolarHBondContact SG-NZ 3.29Å; C115-K120 VanDerWaalsContact SG-NZ 3.45Å; T116-K120 PolarHBondContact O-N 3.09Å; F117-K120 PolarHBondContact O-N 3.22Å; K120-R122 VanDerWaalsContact C-N 3.35Å; K120-N123 PolarHBondContact O-N 2.73Å; K120-A124 WeakPolarHBondContact O-CB 3.45Å; K120-A124 PolarHBondContact O-N 3.31Å; K120-I134 HydrophobicContact CB-CD1 4.2Å; K120-I134 HydrophobicContact CD-CD1 4.18Å |
| 121 | I | 96.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 179.7 | -67.1 | 163.2 | 0 | 0 | 0 | 110 | F117 E119 A124 A125 V132 I134 H146 T149 I152 A154 | F117-I121 HydrophobicContact CB-CD1 4.38Å; F117-I121 WeakPolarHBondContact O-CB 3.29Å; F117-I121 WeakPolarHBondContact O-CD1 3.4Å; F117-I121 WeakPolarHBondContact O-CG1 3.28Å; F117-I121 PolarHBondContact O-N 3.05Å; E119-I121 PolarHBondContact O-N 3.29Å; I121-A124 PolarHBondContact O-N 3.48Å; I121-A125 VanDerWaalsContact O-CB 3.24Å; I121-A125 WeakPolarHBondContact O-CB 3.44Å; I121-A125 PolarHBondContact O-N 3.05Å; I121-V132 HydrophobicContact CG1-CB 4.43Å; I121-V132 HydrophobicContact CG1-CG1 4.22Å; I121-V132 HydrophobicContact CG2-CG2 4.32Å; I121-I134 HydrophobicContact CD1-CD1 4.38Å; I121-I134 HydrophobicContact CG1-CD1 4.01Å; I121-H146 HydrophobicContact CD1-CB 3.57Å; I121-H146 VanDerWaalsContact CD1-CG 3.47Å; I121-T149 HydrophobicContact CB-CG2 4.06Å; I121-T149 HydrophobicContact CG2-CG2 3.86Å; I121-I152 HydrophobicContact CG2-CG2 3.51Å; I121-A154 HydrophobicContact CD1-CB 3.57Å; I121-A154 HydrophobicContact CG1-CB 3.97Å; I121-A154 HydrophobicContact CG2-CB 4.24Å |
| 122 | R | 95.4 | Very high | 93.7 | Very high | 124 Ų | 124 | 51.4 Ų | 51.4 | 47% | 0.468 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.2 | -43.5 | 178.6 | -172.2 | 176.5 | -174.9 | 166 | 1.1 | 112.4 | R118 E119 K120 A124 A125 N126 | R118-R122 VanDerWaalsContact O-CB 3.27Å; R118-R122 WeakPolarHBondContact O-CB 3.48Å; R118-R122 PolarHBondContact O-N 3.01Å; E119-R122 PolarHBondContact O-N 3.46Å; K120-R122 VanDerWaalsContact C-N 3.35Å; R122-A124 PolarHBondContact O-N 2.98Å; R122-A125 PolarHBondContact O-N 3.5Å; R122-N126 WeakPolarHBondContact O-CB 3.37Å; R122-N126 PolarHBondContact O-N 3.39Å; R122-N126 PolarHBondContact O-ND2 3.46Å; R122-N126 PolarHBondContact O-OD1 2.84Å |
| 123 | N | 93.3 | Very high | 94 | Very high | 15 Ų | 15 | 49 Ų | 49 | 8% | 0.08 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.1 | -42.6 | 179.2 | -67.2 | -14.7 | 0 | 0 | 0 | 111.5 | G90 C91 D92 V95 E119 K120 S127 | G90-N123 PolarHBondContact O-ND2 2.99Å; C91-N123 PolarHBondContact O-ND2 3.05Å; D92-N123 PolarHBondContact O-ND2 3.41Å; V95-N123 HydrophobicContact CG1-CB 3.98Å; E119-N123 WeakPolarHBondContact O-CB 3.29Å; E119-N123 PolarHBondContact O-N 2.87Å; E119-N123 PolarHBondContact O-ND2 3.47Å; E119-N123 PolarHBondContact O-OD1 3.03Å; K120-N123 PolarHBondContact O-N 2.73Å; N123-S127 PolarHBondContact O-N 2.85Å; N123-S127 PolarHBondContact O-OG 3.07Å |
| 124 | A | 93.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.008 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.9 | -40.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | F97 A108 K120 I121 R122 N126 S127 A129 V132 | F97-A124 HydrophobicContact CE2-CB 4.49Å; F97-A124 HydrophobicContact CZ-CB 4.26Å; A108-A124 HydrophobicContact CB-CB 3.7Å; K120-A124 WeakPolarHBondContact O-CB 3.45Å; K120-A124 PolarHBondContact O-N 3.31Å; I121-A124 PolarHBondContact O-N 3.48Å; R122-A124 PolarHBondContact O-N 2.98Å; A124-N126 VanDerWaalsContact C-N 3.34Å; A124-N126 PolarHBondContact O-N 3.29Å; A124-S127 WeakPolarHBondContact O-CB 3.36Å; A124-S127 PolarHBondContact O-N 2.89Å; A124-A129 WeakPolarHBondContact O-CB 3.38Å; A124-A129 PolarHBondContact O-N 3.38Å; A124-V132 HydrophobicContact CB-CG1 4.14Å; A124-V132 HydrophobicContact CB-CG2 3.61Å |
| 125 | A | 93.4 | Very high | 94.7 | Very high | 27 Ų | 27 | 40.9 Ų | 40.9 | 22% | 0.223 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.2 | -41 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I121 R122 S127 N128 I152 | I121-A125 VanDerWaalsContact O-CB 3.24Å; I121-A125 WeakPolarHBondContact O-CB 3.44Å; I121-A125 PolarHBondContact O-N 3.05Å; R122-A125 PolarHBondContact O-N 3.5Å; A125-S127 PolarHBondContact O-N 3.11Å; A125-N128 WeakPolarHBondContact O-CA 3.36Å; A125-N128 PolarHBondContact O-N 3.37Å; A125-I152 HydrophobicContact CB-CB 4.48Å; A125-I152 HydrophobicContact CB-CD1 3.58Å; A125-I152 HydrophobicContact CB-CG2 4.26Å |
| 126 | N | 92 | Very high | 94.6 | Very high | 118 Ų | 118 | 40.1 Ų | 40.1 | 63% | 0.631 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -61.9 | -22.6 | 175.5 | -70.1 | -15.3 | 0 | 0 | 0 | 112.8 | R122 A124 N128 | R122-N126 WeakPolarHBondContact O-CB 3.37Å; R122-N126 PolarHBondContact O-N 3.39Å; R122-N126 PolarHBondContact O-ND2 3.46Å; R122-N126 PolarHBondContact O-OD1 2.84Å; A124-N126 VanDerWaalsContact C-N 3.34Å; A124-N126 PolarHBondContact O-N 3.29Å; N126-N128 PolarHBondContact O-N 2.93Å |
| 127 | S | 89.9 | Confident | 94.1 | Very high | 45 Ų | 45 | 40.7 Ų | 40.7 | 32% | 0.315 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 6.7 | 173.8 | -58.7 | 0 | 0 | 0 | 0 | 113 | W106 N123 A124 A125 | W106-S127 VanDerWaalsContact CZ2-O 3.29Å; W106-S127 WeakPolarHBondContact CZ2-O 3.29Å; N123-S127 PolarHBondContact O-N 2.85Å; N123-S127 PolarHBondContact O-OG 3.07Å; A124-S127 WeakPolarHBondContact O-CB 3.36Å; A124-S127 PolarHBondContact O-N 2.89Å; A125-S127 PolarHBondContact O-N 3.11Å |
| 128 | N | 91.9 | Very high | 93.5 | Very high | 136 Ų | 136 | 41.5 Ų | 41.5 | 73% | 0.727 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.8 | 36.4 | -178.3 | -156.1 | 29 | 0 | 0 | 0 | 113.6 | W106 A125 N126 | W106-N128 PolarHBondContact NE1-O 3.39Å; A125-N128 WeakPolarHBondContact O-CA 3.36Å; A125-N128 PolarHBondContact O-N 3.37Å; N126-N128 PolarHBondContact O-N 2.93Å |
| 129 | A | 93.7 | Very high | 93.1 | Very high | 10 Ų | 10 | 43.1 Ų | 43.1 | 8% | 0.083 | 24% | 0.243 | C | C | . | . | trans | -70.8 | 141.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | W106 A108 A124 I152 | W106-A129 HydrophobicContact CD2-CB 4.25Å; W106-A129 HydrophobicContact CE3-CB 4.25Å; W106-A129 HydrophobicContact CH2-CB 3.71Å; W106-A129 HydrophobicContact CZ2-CB 3.65Å; W106-A129 HydrophobicContact CZ3-CB 4.02Å; A108-A129 HydrophobicContact CB-CB 4.15Å; A124-A129 WeakPolarHBondContact O-CB 3.38Å; A124-A129 PolarHBondContact O-N 3.38Å; A129-I152 HydrophobicContact CB-CD1 4.26Å; A129-I152 VanDerWaalsContact O-CD1 3.31Å; A129-I152 WeakPolarHBondContact O-CD1 3.24Å | ||
| 130 | S | 94.3 | Very high | 92.8 | Very high | 49 Ų | 49 | 45 Ų | 45 | 34% | 0.343 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -79.7 | -26.5 | 176 | -51.8 | 0 | 0 | 0 | 0 | 112.6 | A105 W106 | A105-S130 WeakPolarHBondContact CB-OG 3.27Å; W106-S130 PolarHBondContact N-OG 3.21Å; W106-S130 WeakPolarHBondContact O-CB 3.27Å; W106-S130 PolarHBondContact O-N 2.88Å |
| 131 | A | 97.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 160.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | A75 V107 A108 V153 I179 | A75-A131 HydrophobicContact CB-CB 3.69Å; V107-A131 WeakPolarHBondContact CA-O 3.21Å; V107-A131 HydrophobicContact CG1-CB 4.16Å; V107-A131 HydrophobicContact CG2-CB 4.22Å; A108-A131 PolarHBondContact N-O 3.49Å; A131-V153 CarbonylContact C-O 3.5Å; A131-V153 WeakPolarHBondContact CA-O 3.32Å; A131-V153 HydrophobicContact CB-CB 4.03Å; A131-V153 HydrophobicContact CB-CG1 4.36Å; A131-V153 VanDerWaalsContact CB-O 3.3Å; A131-V153 WeakPolarHBondContact CB-O 3.38Å; A131-I179 HydrophobicContact CB-CD1 3.82Å |
| 132 | V | 97.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 129 | 176.3 | -172.4 | 0 | 0 | 0 | 0 | 109.3 | V110 I121 A124 I134 I152 V153 A154 I155 | V110-V132 HydrophobicContact CG2-CG1 4.22Å; I121-V132 HydrophobicContact CG1-CB 4.43Å; I121-V132 HydrophobicContact CG1-CG1 4.22Å; I121-V132 HydrophobicContact CG2-CG2 4.32Å; A124-V132 HydrophobicContact CB-CG1 4.14Å; A124-V132 HydrophobicContact CB-CG2 3.61Å; V132-I134 HydrophobicContact CG1-CG1 4.18Å; V132-I152 HydrophobicContact CG2-CD1 3.55Å; V132-I152 HydrophobicContact CG2-CG1 4.17Å; V132-V153 PolarHBondContact N-O 2.89Å; V132-A154 VanDerWaalsContact O-CA 3.32Å; V132-A154 WeakPolarHBondContact O-CA 3.43Å; V132-I155 PolarHBondContact O-N 2.89Å |
| 133 | V | 98.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 117.2 | 178.4 | -178.7 | 0 | 0 | 0 | 0 | 107.7 | V107 A108 L109 V110 I155 I157 M177 I179 | V107-V133 HydrophobicContact CG1-CB 4.4Å; V107-V133 HydrophobicContact CG1-CG2 3.46Å; V107-V133 VanDerWaalsContact CG1-CG2 3.46Å; A108-V133 PolarHBondContact O-N 2.84Å; L109-V133 WeakPolarHBondContact CA-O 3.45Å; L109-V133 HydrophobicContact CD1-CB 3.99Å; L109-V133 HydrophobicContact CD1-CG1 3.71Å; V110-V133 PolarHBondContact N-O 3.33Å; V133-I155 WeakPolarHBondContact CA-O 3.39Å; V133-I155 HydrophobicContact CB-CG1 4.35Å; V133-I155 HydrophobicContact CG1-CD1 4.46Å; V133-I155 HydrophobicContact CG1-CG1 4.23Å; V133-I155 HydrophobicContact CG2-CD1 4.06Å; V133-I155 HydrophobicContact CG2-CG1 3.8Å; V133-I157 HydrophobicContact CG1-CB 4.46Å; V133-I157 HydrophobicContact CG1-CD1 3.62Å; V133-I157 HydrophobicContact CG1-CG1 3.77Å; V133-I157 HydrophobicContact CG1-CG2 3.9Å; V133-M177 HydrophobicContact CG2-CE 4.45Å; V133-M177 HydrophobicContact CG2-SD 3.68Å; V133-I179 HydrophobicContact CG2-CD1 3.83Å |
| 134 | I | 97.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 120.2 | 177.1 | -50.8 | -167.1 | 0 | 0 | 0 | 107.4 | V110 F117 K120 I121 V132 M144 I155 M156 I157 | V110-I134 HydrophobicContact CG2-CB 4.38Å; V110-I134 HydrophobicContact CG2-CD1 4.34Å; V110-I134 HydrophobicContact CG2-CG1 3.75Å; V110-I134 HydrophobicContact CG2-CG2 4.5Å; V110-I134 WeakPolarHBondContact O-CA 3.26Å; F117-I134 HydrophobicContact CB-CD1 4.48Å; F117-I134 HydrophobicContact CD1-CD1 3.89Å; F117-I134 HydrophobicContact CD1-CG2 4.42Å; F117-I134 HydrophobicContact CE1-CG2 4.4Å; K120-I134 HydrophobicContact CB-CD1 4.2Å; K120-I134 HydrophobicContact CD-CD1 4.18Å; I121-I134 HydrophobicContact CD1-CD1 4.38Å; I121-I134 HydrophobicContact CG1-CD1 4.01Å; V132-I134 HydrophobicContact CG1-CG1 4.18Å; I134-M144 HydrophobicContact CB-SD 3.95Å; I134-M144 HydrophobicContact CD1-CE 4.47Å; I134-M144 HydrophobicContact CD1-SD 3.73Å; I134-M144 HydrophobicContact CG1-CE 4.49Å; I134-M144 HydrophobicContact CG1-SD 4.04Å; I134-I155 PolarHBondContact N-O 2.94Å; I134-M156 CarbonylContact O-C 3.6Å; I134-M156 WeakPolarHBondContact O-CA 3.38Å; I134-M156 WeakPolarHBondContact O-CG 3.41Å; I134-I157 PolarHBondContact O-N 3.35Å |
| 135 | Y | 95.9 | Very high | 92.5 | Very high | 26 Ų | 26 | 47.8 Ų | 47.8 | 10% | 0.102 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 127.5 | 172.7 | 66.4 | -86.5 | 0 | 0 | 0 | 110.3 | L109 V110 A111 E112 I157 V166 | L109-Y135 HydrophobicContact CD1-CD1 3.79Å; L109-Y135 HydrophobicContact CD1-CE1 4.48Å; L109-Y135 HydrophobicContact CG-CD1 4.1Å; L109-Y135 HydrophobicContact CG-CE1 4.29Å; V110-Y135 WeakPolarHBondContact O-CD1 3.49Å; V110-Y135 PolarHBondContact O-N 3.4Å; A111-Y135 VanDerWaalsContact CA-CE1 3.49Å; A111-Y135 HydrophobicContact CB-CE1 3.85Å; A111-Y135 HydrophobicContact CB-CE2 4.03Å; A111-Y135 VanDerWaalsContact CB-CZ 3.49Å; A111-Y135 WeakPolarHBondContact CB-OH 3.29Å; E112-Y135 WeakPolarHBondContact CB-O 3.38Å; E112-Y135 PolarHBondContact N-O 3.17Å; Y135-I157 CarbonylContact C-O 3.48Å; Y135-I157 VanDerWaalsContact CA-O 3.31Å; Y135-I157 WeakPolarHBondContact CA-O 3.23Å; Y135-V166 HydrophobicContact CE1-CG2 4.11Å |
| 136 | N | 91.4 | Very high | 92.6 | Very high | 11 Ų | 11 | 46.6 Ų | 46.6 | 6% | 0.059 | 28% | 0.275 | C | S | . | . | trans | -67.2 | 155.9 | -179.1 | -165 | -14.9 | 0 | 0 | 0 | 110 | E112 A138 D140 M156 I157 E159 | E112-N136 PolarHBondContact OE2-OD1 3.4Å; N136-A138 VanDerWaalsContact C-N 3.31Å; N136-A138 PolarHBondContact OD1-N 3.49Å; N136-D140 PolarHBondContact ND2-O 3.49Å; N136-M156 HydrophobicContact CB-CG 4.25Å; N136-M156 HydrophobicContact CB-SD 3.97Å; N136-I157 PolarHBondContact N-O 3.42Å; N136-E159 WeakPolarHBondContact O-CA 3.4Å; N136-E159 WeakPolarHBondContact O-CB 3.28Å; N136-E159 WeakPolarHBondContact O-CG 3.47Å; N136-E159 PolarHBondContact O-N 3.38Å | ||
| 137 | S | 83.6 | Confident | 92.7 | Very high | 87 Ų | 87 | 43.4 Ų | 43.4 | 61% | 0.608 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -78.1 | -19.2 | 165.9 | -43.3 | 0 | 0 | 0 | 0 | 112.1 | E112 | E112-S137 VanDerWaalsContact OE2-CB 3.26Å; E112-S137 WeakPolarHBondContact OE2-CB 3.33Å; E112-S137 PolarHBondContact OE2-N 3.42Å; E112-S137 PolarHBondContact OE2-OG 2.95Å |
| 138 | A | 83.6 | Confident | 92.7 | Very high | 49 Ų | 49 | 47 Ų | 47 | 41% | 0.405 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -97 | 166.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | N136 E159 | N136-A138 VanDerWaalsContact C-N 3.31Å; N136-A138 PolarHBondContact OD1-N 3.49Å; A138-E159 PolarHBondContact O-N 2.96Å |
| 139 | N | 86.9 | Confident | 92.7 | Very high | 116 Ų | 116 | 41.2 Ų | 41.2 | 62% | 0.62 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -73.2 | -29.3 | 176.7 | -76.9 | -10 | 0 | 0 | 0 | 113.1 | P158 | N139-P158 WeakPolarHBondContact O-CB 3.35Š|
| 140 | D | 88.8 | Confident | 92.5 | Very high | 129 Ų | 129 | 43.1 Ų | 43.1 | 69% | 0.69 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -87.2 | 149.9 | -177.7 | -64.7 | -33.2 | 0 | 0 | 0 | 111.3 | N136 | N136-D140 PolarHBondContact ND2-O 3.49Š|
| 141 | T | 92.8 | Very high | 92.4 | Very high | 23 Ų | 23 | 47 Ų | 47 | 14% | 0.141 | 29% | 0.285 | C | S | . | . | trans | -99.4 | 142.2 | 173.8 | 54.3 | 0 | 0 | 0 | 0 | 111 | R65 M156 P158 | R65-T141 PolarHBondContact NE-O 3.12Å; R65-T141 PolarHBondContact NE-OG1 3.37Å; R65-T141 PolarHBondContact NH1-O 2.88Å; R65-T141 PolarHBondContact NH2-O 3.04Å; T141-M156 HydrophobicContact CG2-CG 4.22Å; T141-P158 HydrophobicContact CG2-CG 3.96Å | ||
| 142 | I | 92.6 | Very high | 92.3 | Very high | 77 Ų | 77 | 47.6 Ų | 47.6 | 40% | 0.395 | 29% | 0.288 | S | S | . | . | trans | -113.8 | 154.4 | 176.1 | 62.8 | 163 | 0 | 0 | 0 | 111.3 | F117 M144 M156 | F117-I142 HydrophobicContact CE2-CD1 3.92Å; F117-I142 HydrophobicContact CZ-CD1 3.9Å; I142-M144 PolarHBondContact O-N 2.83Å; I142-M156 HydrophobicContact CB-SD 4.39Å; I142-M156 HydrophobicContact CD1-CE 4.3Å; I142-M156 HydrophobicContact CG1-CE 3.68Å; I142-M156 HydrophobicContact CG1-SD 3.5Å; I142-M156 VanDerWaalsContact CG1-SD 3.5Å; I142-M156 PolarHBondContact N-SD 3.43Å; I142-M156 VanDerWaalsContact N-SD 3.35Å | ||
| 143 | T | 93.5 | Very high | 92.3 | Very high | 26 Ų | 26 | 47.7 Ų | 47.7 | 16% | 0.16 | 29% | 0.288 | C | S | . | . | trans | -75.4 | 106.4 | 174.5 | -48.1 | 0 | 0 | 0 | 0 | 107.8 | W39 E68 P145 | W39-T143 HydrophobicContact CB-CG2 4.45Å; E68-T143 HydrophobicContact CB-CG2 3.97Å; T143-P145 VanDerWaalsContact O-CD 3.32Å; T143-P145 WeakPolarHBondContact O-CD 3.44Å | ||
| 144 | M | 94.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | trans | -72.3 | 125.3 | -175.6 | -61.7 | 179.3 | -62.7 | 0 | 0 | 110.9 | G67 E68 F117 I134 I142 H146 A154 M156 | G67-M144 WeakPolarHBondContact CA-O 3.32Å; E68-M144 WeakPolarHBondContact CB-O 3.47Å; E68-M144 PolarHBondContact N-O 3.08Å; F117-M144 HydrophobicContact CB-CB 4.13Å; F117-M144 HydrophobicContact CB-CG 4.48Å; F117-M144 HydrophobicContact CB-SD 4.37Å; F117-M144 HydrophobicContact CD1-CB 4.43Å; F117-M144 HydrophobicContact CD1-CG 3.9Å; F117-M144 HydrophobicContact CD1-SD 3.61Å; F117-M144 HydrophobicContact CD2-CB 3.98Å; F117-M144 HydrophobicContact CD2-CG 4.07Å; F117-M144 HydrophobicContact CE1-CG 4.13Å; F117-M144 HydrophobicContact CE1-SD 4.08Å; F117-M144 HydrophobicContact CE2-CG 4.28Å; F117-M144 HydrophobicContact CG-CB 3.92Å; F117-M144 HydrophobicContact CG-CG 3.88Å; F117-M144 HydrophobicContact CG-SD 4.01Å; F117-M144 HydrophobicContact CZ-CG 4.32Å; I134-M144 HydrophobicContact CB-SD 3.95Å; I134-M144 HydrophobicContact CD1-CE 4.47Å; I134-M144 HydrophobicContact CD1-SD 3.73Å; I134-M144 HydrophobicContact CG1-CE 4.49Å; I134-M144 HydrophobicContact CG1-SD 4.04Å; I142-M144 PolarHBondContact O-N 2.83Å; M144-H146 PolarHBondContact O-CD2 2.85Å; M144-A154 HydrophobicContact CE-CB 4.33Å; M144-M156 HydrophobicContact CE-CB 4.02Å; M144-M156 HydrophobicContact CG-CB 4.15Å; M144-M156 HydrophobicContact CG-CE 3.61Å; M144-M156 HydrophobicContact CG-SD 4.44Å; M144-M156 HydrophobicContact SD-CB 3.87Å; M144-M156 HydrophobicContact SD-CE 3.76Å | ||
| 145 | P | 94.1 | Very high | 92.3 | Very high | 74 Ų | 74 | 47.7 Ų | 47.7 | 48% | 0.481 | 29% | 0.288 | S | S | . | . | trans | -78.3 | 125.6 | 167.8 | 30.3 | -33.3 | 0 | 0 | 0 | 109.9 | T143 | T143-P145 VanDerWaalsContact O-CD 3.32Å; T143-P145 WeakPolarHBondContact O-CD 3.44Å | ||
| 146 | H | 94.8 | Very high | 92.4 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.009 | 28% | 0.284 | C | S | . | . | trans | -154.3 | 57.1 | -178 | 64.5 | 88.9 | 0 | 0 | 0 | 113 | G67 S70 R118 I121 M144 T149 | G67-H146 VanDerWaalsContact CA-NE2 3.31Å; G67-H146 WeakPolarHBondContact CA-NE2 3.33Å; S70-H146 VanDerWaalsContact CA-CE1 3.49Å; S70-H146 WeakPolarHBondContact CA-CE1 3.23Å; S70-H146 PolarHBondContact N-CE1 2.79Å; S70-H146 PolarHBondContact N-NE2 3.43Å; R118-H146 HydrophobicContact CB-CB 4.38Å; I121-H146 HydrophobicContact CD1-CB 3.57Å; I121-H146 VanDerWaalsContact CD1-CG 3.47Å; M144-H146 PolarHBondContact O-CD2 2.85Å; H146-T149 HydrophobicContact CB-CG2 4.07Å; H146-T149 PolarHBondContact ND1-OG1 2.85Å; H146-T149 WeakPolarHBondContact O-CG2 3.48Å; H146-T149 PolarHBondContact O-OG1 3.28Å | ||
| 147 | S | 93.8 | Very high | 92.7 | Very high | 51 Ų | 51 | 46 Ų | 46 | 36% | 0.357 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 152.5 | 175.1 | 55.7 | 0 | 0 | 0 | 0 | 112.5 | R118 T149 | R118-S147 VanDerWaalsContact CD-O 3.23Å; R118-S147 WeakPolarHBondContact CD-O 3.28Å; R118-S147 PolarHBondContact NE-O 2.89Å; S147-T149 VanDerWaalsContact C-N 3.3Å; S147-T149 PolarHBondContact O-N 3.3Å |
| 148 | D | 91.1 | Very high | 93.3 | Very high | 120 Ų | 120 | 42.9 Ų | 42.9 | 64% | 0.642 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 29.9 | 176.4 | -35.9 | -45.3 | 0 | 0 | 0 | 116.2 | R118 | R118-D148 IonicContact CZ-OD2 2.81Å; R118-D148 IonicContact NE-OD2 2.95Å; R118-D148 IonicContact NH2-OD2 2.76Å; R118-D148 PolarHBondContact NH2-OD2 2.84Å |
| 149 | T | 90.8 | Very high | 93.8 | Very high | 16 Ų | 16 | 42.8 Ų | 42.8 | 10% | 0.098 | 25% | 0.25 | C | C | . | . | trans | -94.1 | 2.9 | 175.7 | 46.5 | 0 | 0 | 0 | 0 | 113.6 | R118 I121 H146 S147 | R118-T149 HydrophobicContact CB-CG2 4.39Å; R118-T149 HydrophobicContact CG-CG2 3.81Å; I121-T149 HydrophobicContact CB-CG2 4.06Å; I121-T149 HydrophobicContact CG2-CG2 3.86Å; H146-T149 HydrophobicContact CB-CG2 4.07Å; H146-T149 PolarHBondContact ND1-OG1 2.85Å; H146-T149 WeakPolarHBondContact O-CG2 3.48Å; H146-T149 PolarHBondContact O-OG1 3.28Å; S147-T149 VanDerWaalsContact C-N 3.3Å; S147-T149 PolarHBondContact O-N 3.3Å | ||
| 150 | G | 88.8 | Confident | 94.2 | Very high | 50 Ų | 50 | 40.4 Ų | 40.4 | 52% | 0.515 | 24% | 0.241 | S | C | . | . | trans | 73.7 | -163.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113.2 | I152 | G150-I152 PolarHBondContact O-N 3.48Å; G150-I152 VanDerWaalsContact O-N 3.08Å | ||
| 151 | D | 92.5 | Very high | 94.6 | Very high | 131 Ų | 131 | 35 Ų | 35 | 70% | 0.701 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -85.5 | 44.9 | -175.3 | -71.7 | -39.1 | 0 | 0 | 0 | 113 | P71 R73 | P71-D151 HydrophobicContact CG-CB 4.48Å; R73-D151 PolarHBondContact NH2-O 3.45Å |
| 152 | I | 95.6 | Very high | 94.7 | Very high | 12 Ų | 12 | 33.9 Ų | 33.9 | 6% | 0.062 | 20% | 0.204 | C | C | . | . | trans | -100.4 | 133.3 | 176.1 | -168 | 162.3 | 0 | 0 | 0 | 111.3 | P71 I121 A125 A129 V132 G150 A154 | P71-I152 WeakPolarHBondContact CD-O 3.33Å; I121-I152 HydrophobicContact CG2-CG2 3.51Å; A125-I152 HydrophobicContact CB-CB 4.48Å; A125-I152 HydrophobicContact CB-CD1 3.58Å; A125-I152 HydrophobicContact CB-CG2 4.26Å; A129-I152 HydrophobicContact CB-CD1 4.26Å; A129-I152 VanDerWaalsContact O-CD1 3.31Å; A129-I152 WeakPolarHBondContact O-CD1 3.24Å; V132-I152 HydrophobicContact CG2-CD1 3.55Å; V132-I152 HydrophobicContact CG2-CG1 4.17Å; G150-I152 PolarHBondContact O-N 3.48Å; G150-I152 VanDerWaalsContact O-N 3.08Å; I152-A154 PolarHBondContact O-N 3.48Å | ||
| 153 | V | 97.9 | Very high | 94.8 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.012 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 112.9 | 175.1 | 175.5 | 0 | 0 | 0 | 0 | 108.7 | Y66 R73 A75 A131 V132 I155 I179 | Y66-V153 HydrophobicContact CD1-CG1 4.44Å; Y66-V153 HydrophobicContact CE1-CG1 3.79Å; R73-V153 HydrophobicContact CG-CG2 3.84Å; A75-V153 HydrophobicContact CB-CB 3.99Å; A75-V153 HydrophobicContact CB-CG1 4.17Å; A75-V153 HydrophobicContact CB-CG2 4.07Å; A131-V153 CarbonylContact C-O 3.5Å; A131-V153 WeakPolarHBondContact CA-O 3.32Å; A131-V153 HydrophobicContact CB-CB 4.03Å; A131-V153 HydrophobicContact CB-CG1 4.36Å; A131-V153 VanDerWaalsContact CB-O 3.3Å; A131-V153 WeakPolarHBondContact CB-O 3.38Å; V132-V153 PolarHBondContact N-O 2.89Å; V153-I155 HydrophobicContact CG1-CG2 4.34Å; V153-I179 HydrophobicContact CG1-CG2 4.47Å |
| 154 | A | 98 | Very high | 94.8 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 128.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | G67 S70 I121 V132 M144 I152 | G67-A154 PolarHBondContact N-O 3.33Å; S70-A154 VanDerWaalsContact CB-O 3.28Å; S70-A154 WeakPolarHBondContact CB-O 3.45Å; S70-A154 PolarHBondContact OG-N 3.42Å; S70-A154 PolarHBondContact OG-O 2.92Å; I121-A154 HydrophobicContact CD1-CB 3.57Å; I121-A154 HydrophobicContact CG1-CB 3.97Å; I121-A154 HydrophobicContact CG2-CB 4.24Å; V132-A154 VanDerWaalsContact O-CA 3.32Å; V132-A154 WeakPolarHBondContact O-CA 3.43Å; M144-A154 HydrophobicContact CE-CB 4.33Å; I152-A154 PolarHBondContact O-N 3.48Å |
| 155 | I | 98 | Very high | 94.9 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 151.7 | 174.7 | 67.2 | 166.1 | 0 | 0 | 0 | 111.1 | A42 V44 R65 Y66 V132 V133 I134 V153 I157 I179 | A42-I155 HydrophobicContact CB-CB 4.48Å; A42-I155 HydrophobicContact CB-CD1 4.21Å; A42-I155 HydrophobicContact CB-CG2 3.94Å; V44-I155 HydrophobicContact CG2-CD1 3.78Å; R65-I155 CarbonylContact O-C 3.41Å; R65-I155 VanDerWaalsContact O-CA 3.26Å; R65-I155 WeakPolarHBondContact O-CA 3.38Å; Y66-I155 HydrophobicContact CD1-CG2 3.88Å; Y66-I155 HydrophobicContact CD2-CG2 4.28Å; Y66-I155 HydrophobicContact CE1-CG2 4Å; Y66-I155 HydrophobicContact CE2-CG2 4.37Å; Y66-I155 HydrophobicContact CG-CG2 4.01Å; V132-I155 PolarHBondContact O-N 2.89Å; V133-I155 WeakPolarHBondContact CA-O 3.39Å; V133-I155 HydrophobicContact CB-CG1 4.35Å; V133-I155 HydrophobicContact CG1-CD1 4.46Å; V133-I155 HydrophobicContact CG1-CG1 4.23Å; V133-I155 HydrophobicContact CG2-CD1 4.06Å; V133-I155 HydrophobicContact CG2-CG1 3.8Å; I134-I155 PolarHBondContact N-O 2.94Å; V153-I155 HydrophobicContact CG1-CG2 4.34Å; I155-I157 HydrophobicContact CD1-CG2 4.09Å; I155-I179 HydrophobicContact CD1-CD1 3.81Å; I155-I179 HydrophobicContact CD1-CG1 3.92Å; I155-I179 HydrophobicContact CD1-CG2 3.93Å; I155-I179 HydrophobicContact CG1-CD1 4.16Å; I155-I179 HydrophobicContact CG2-CG2 4.09Å |
| 156 | M | 97.6 | Very high | 95 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 140.9 | 168.3 | -174.8 | 175.5 | -88 | 0 | 0 | 110.2 | G64 R65 F117 I134 N136 T141 I142 M144 | G64-M156 CarbonylContact C-O 3.52Å; G64-M156 WeakPolarHBondContact CA-O 3.42Å; R65-M156 PolarHBondContact N-O 3.41Å; R65-M156 PolarHBondContact O-N 3.21Å; F117-M156 HydrophobicContact CD1-CE 4.26Å; F117-M156 HydrophobicContact CE1-CE 3.38Å; F117-M156 HydrophobicContact CZ-CE 3.57Å; I134-M156 CarbonylContact O-C 3.6Å; I134-M156 WeakPolarHBondContact O-CA 3.38Å; I134-M156 WeakPolarHBondContact O-CG 3.41Å; N136-M156 HydrophobicContact CB-CG 4.25Å; N136-M156 HydrophobicContact CB-SD 3.97Å; T141-M156 HydrophobicContact CG2-CG 4.22Å; I142-M156 HydrophobicContact CB-SD 4.39Å; I142-M156 HydrophobicContact CD1-CE 4.3Å; I142-M156 HydrophobicContact CG1-CE 3.68Å; I142-M156 HydrophobicContact CG1-SD 3.5Å; I142-M156 VanDerWaalsContact CG1-SD 3.5Å; I142-M156 PolarHBondContact N-SD 3.43Å; I142-M156 VanDerWaalsContact N-SD 3.35Å; M144-M156 HydrophobicContact CE-CB 4.02Å; M144-M156 HydrophobicContact CG-CB 4.15Å; M144-M156 HydrophobicContact CG-CE 3.61Å; M144-M156 HydrophobicContact CG-SD 4.44Å; M144-M156 HydrophobicContact SD-CB 3.87Å; M144-M156 HydrophobicContact SD-CE 3.76Å |
| 157 | I | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 158.7 | 172.6 | 64.3 | 172.3 | 0 | 0 | 0 | 110.9 | V44 L109 V133 I134 Y135 N136 I155 K161 I165 | V44-I157 HydrophobicContact CG2-CG2 3.83Å; L109-I157 HydrophobicContact CD1-CD1 4.21Å; V133-I157 HydrophobicContact CG1-CB 4.46Å; V133-I157 HydrophobicContact CG1-CD1 3.62Å; V133-I157 HydrophobicContact CG1-CG1 3.77Å; V133-I157 HydrophobicContact CG1-CG2 3.9Å; I134-I157 PolarHBondContact O-N 3.35Å; Y135-I157 CarbonylContact C-O 3.48Å; Y135-I157 VanDerWaalsContact CA-O 3.31Å; Y135-I157 WeakPolarHBondContact CA-O 3.23Å; N136-I157 PolarHBondContact N-O 3.42Å; I155-I157 HydrophobicContact CD1-CG2 4.09Å; I157-K161 HydrophobicContact CD1-CG 4.49Å; I157-I165 HydrophobicContact CD1-CD1 4.12Å |
| 158 | P | 96.8 | Very high | 95 | Very high | 22 Ų | 22 | 36.2 Ų | 36.2 | 14% | 0.143 | 20% | 0.197 | C | C | . | . | trans | -62 | 152.1 | 174.9 | -26.4 | 36.8 | 0 | 0 | 0 | 113.3 | C63 N139 T141 P160 K161 G162 | C63-P158 HydrophobicContact CB-CG 4.21Å; C63-P158 VanDerWaalsContact O-CD 3.29Å; C63-P158 WeakPolarHBondContact O-CD 3.5Å; N139-P158 WeakPolarHBondContact O-CB 3.35Å; T141-P158 HydrophobicContact CG2-CG 3.96Å; P158-P160 VanDerWaalsContact C-CD 3.48Å; P158-K161 PolarHBondContact O-N 2.85Å; P158-G162 PolarHBondContact O-N 2.87Å | ||
| 159 | E | 94.6 | Very high | 95.2 | Very high | 47 Ų | 47 | 31.9 Ų | 31.9 | 22% | 0.22 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -50.3 | -49 | 175.2 | -160.6 | -91.5 | 178.8 | 0 | 0 | 113 | N136 A138 K161 G162 R163 | N136-E159 WeakPolarHBondContact O-CA 3.4Å; N136-E159 WeakPolarHBondContact O-CB 3.28Å; N136-E159 WeakPolarHBondContact O-CG 3.47Å; N136-E159 PolarHBondContact O-N 3.38Å; A138-E159 PolarHBondContact O-N 2.96Å; E159-K161 VanDerWaalsContact C-N 3.28Å; E159-K161 PolarHBondContact O-N 3.44Å; E159-G162 PolarHBondContact O-N 3.27Å; E159-G162 VanDerWaalsContact O-N 3.11Å; E159-R163 HydrophobicContact CG-CG 4.23Å; E159-R163 WeakPolarHBondContact O-CG 3.23Å; E159-R163 PolarHBondContact O-N 2.85Å; E159-R163 WeakPolarHBondContact OE1-CD 3.46Å; E159-R163 WeakPolarHBondContact OE1-CG 3.01Å; E159-R163 IonicContact OE1-CZ 3.93Å; E159-R163 IonicContact OE1-NE 2.99Å; E159-R163 IonicContact OE1-NH1 3.45Å; E159-R163 PolarHBondContact OE1-NH1 2.88Å |
| 160 | P | 95.1 | Very high | 95.3 | Very high | 67 Ų | 67 | 35.7 Ų | 35.7 | 44% | 0.435 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.1 | -38.6 | -174.6 | -25 | 36.3 | 0 | 0 | 0 | 112.1 | P158 E164 | P158-P160 VanDerWaalsContact C-CD 3.48Å; P160-E164 WeakPolarHBondContact O-CB 3.35Å; P160-E164 PolarHBondContact O-N 3.4Å |
| 161 | K | 95.6 | Very high | 95.4 | Very high | 15 Ų | 15 | 39.5 Ų | 39.5 | 7% | 0.065 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -71.8 | -39.2 | 178.3 | -168 | 61.8 | 179.8 | 173.4 | 0 | 111.7 | E59 I157 P158 E159 E164 I165 | E59-K161 IonicContact OE1-NZ 2.96Å; E59-K161 PolarHBondContact OE1-NZ 3.3Å; E59-K161 IonicContact OE2-NZ 3.14Å; E59-K161 PolarHBondContact OE2-NZ 2.91Å; I157-K161 HydrophobicContact CD1-CG 4.49Å; P158-K161 PolarHBondContact O-N 2.85Å; E159-K161 VanDerWaalsContact C-N 3.28Å; E159-K161 PolarHBondContact O-N 3.44Å; K161-E164 VanDerWaalsContact CD-OE2 3.26Å; K161-E164 WeakPolarHBondContact CD-OE2 3.5Å; K161-E164 IonicContact NZ-OE1 2.82Å; K161-E164 PolarHBondContact NZ-OE1 3.47Å; K161-E164 IonicContact NZ-OE2 3.73Å; K161-E164 PolarHBondContact NZ-OE2 3.43Å; K161-E164 PolarHBondContact O-N 2.89Å; K161-I165 HydrophobicContact CG-CD1 4.33Å; K161-I165 WeakPolarHBondContact O-CD1 3.18Å; K161-I165 VanDerWaalsContact O-CG1 3.31Å; K161-I165 WeakPolarHBondContact O-CG1 3.43Å; K161-I165 PolarHBondContact O-N 3.45Å |
| 162 | G | 95.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.4 | -47.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | P158 E159 E164 I165 V166 | P158-G162 PolarHBondContact O-N 2.87Å; E159-G162 PolarHBondContact O-N 3.27Å; E159-G162 VanDerWaalsContact O-N 3.11Å; G162-E164 PolarHBondContact O-N 3.33Å; G162-I165 PolarHBondContact O-N 3.03Å; G162-V166 WeakPolarHBondContact O-CG2 3.31Å; G162-V166 PolarHBondContact O-N 3.48Å |
| 163 | R | 94.3 | Very high | 95.2 | Very high | 122 Ų | 122 | 45.3 Ų | 45.3 | 46% | 0.46 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.9 | -41.5 | 177.4 | -72.4 | -70.4 | -70.6 | -88.1 | 1 | 113 | E159 I165 V166 N167 | E159-R163 HydrophobicContact CG-CG 4.23Å; E159-R163 WeakPolarHBondContact O-CG 3.23Å; E159-R163 PolarHBondContact O-N 2.85Å; E159-R163 WeakPolarHBondContact OE1-CD 3.46Å; E159-R163 WeakPolarHBondContact OE1-CG 3.01Å; E159-R163 IonicContact OE1-CZ 3.93Å; E159-R163 IonicContact OE1-NE 2.99Å; E159-R163 IonicContact OE1-NH1 3.45Å; E159-R163 PolarHBondContact OE1-NH1 2.88Å; R163-I165 VanDerWaalsContact C-N 3.31Å; R163-I165 PolarHBondContact O-N 2.9Å; R163-V166 PolarHBondContact O-N 3.44Å; R163-N167 WeakPolarHBondContact O-CB 3.28Å; R163-N167 PolarHBondContact O-N 2.97Å; R163-N167 PolarHBondContact O-ND2 3.36Å; R163-N167 PolarHBondContact O-OD1 3.41Å |
| 164 | E | 95.1 | Very high | 94.9 | Very high | 63 Ų | 63 | 49 Ų | 49 | 29% | 0.294 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -55.7 | -48.7 | 175 | -172.4 | -158 | 135.4 | 0 | 0 | 110.8 | P160 K161 G162 N167 L168 | P160-E164 WeakPolarHBondContact O-CB 3.35Å; P160-E164 PolarHBondContact O-N 3.4Å; K161-E164 VanDerWaalsContact CD-OE2 3.26Å; K161-E164 WeakPolarHBondContact CD-OE2 3.5Å; K161-E164 IonicContact NZ-OE1 2.82Å; K161-E164 PolarHBondContact NZ-OE1 3.47Å; K161-E164 IonicContact NZ-OE2 3.73Å; K161-E164 PolarHBondContact NZ-OE2 3.43Å; K161-E164 PolarHBondContact O-N 2.89Å; G162-E164 PolarHBondContact O-N 3.33Å; E164-N167 PolarHBondContact O-N 3.25Å; E164-L168 WeakPolarHBondContact O-CG 3.49Å; E164-L168 PolarHBondContact O-N 2.86Å; E164-L168 VanDerWaalsContact O-N 3.1Å |
| 165 | I | 96.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.2 | -41.6 | 178.8 | -60.2 | 161.8 | 0 | 0 | 0 | 111 | I46 V79 L109 I157 K161 G162 R163 N167 L168 L169 V175 M177 | I46-I165 HydrophobicContact CD1-CG1 4.32Å; I46-I165 HydrophobicContact CG2-CD1 4.05Å; I46-I165 HydrophobicContact CG2-CG1 4.24Å; V79-I165 HydrophobicContact CG1-CG2 4.07Å; L109-I165 HydrophobicContact CD2-CB 3.97Å; L109-I165 HydrophobicContact CD2-CG2 3.62Å; I157-I165 HydrophobicContact CD1-CD1 4.12Å; K161-I165 HydrophobicContact CG-CD1 4.33Å; K161-I165 WeakPolarHBondContact O-CD1 3.18Å; K161-I165 VanDerWaalsContact O-CG1 3.31Å; K161-I165 WeakPolarHBondContact O-CG1 3.43Å; K161-I165 PolarHBondContact O-N 3.45Å; G162-I165 PolarHBondContact O-N 3.03Å; R163-I165 VanDerWaalsContact C-N 3.31Å; R163-I165 PolarHBondContact O-N 2.9Å; I165-N167 VanDerWaalsContact C-N 3.34Å; I165-N167 PolarHBondContact O-N 3.29Å; I165-L168 WeakPolarHBondContact O-CB 3.49Å; I165-L168 PolarHBondContact O-N 2.9Å; I165-L169 HydrophobicContact CG2-CD1 4.13Å; I165-L169 HydrophobicContact CG2-CG 4.45Å; I165-L169 VanDerWaalsContact O-CG 3.3Å; I165-L169 WeakPolarHBondContact O-CG 3.24Å; I165-L169 PolarHBondContact O-N 3.46Å; I165-V175 HydrophobicContact CG2-CG1 4.42Å; I165-M177 HydrophobicContact CD1-CE 3.65Å |
| 166 | V | 95.3 | Very high | 94.8 | Very high | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.024 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.8 | -44.9 | 175.7 | 171.1 | 0 | 0 | 0 | 0 | 111.1 | I81 L109 Y135 G162 R163 L168 L169 E170 | I81-V166 HydrophobicContact CG2-CG2 4.44Å; L109-V166 HydrophobicContact CD2-CG2 3.85Å; Y135-V166 HydrophobicContact CE1-CG2 4.11Å; G162-V166 WeakPolarHBondContact O-CG2 3.31Å; G162-V166 PolarHBondContact O-N 3.48Å; R163-V166 PolarHBondContact O-N 3.44Å; V166-L168 VanDerWaalsContact C-N 3.3Å; V166-L168 PolarHBondContact O-N 3.38Å; V166-L169 PolarHBondContact O-N 3.33Å; V166-L169 VanDerWaalsContact O-N 3.13Å; V166-E170 HydrophobicContact CG1-CG 4.24Å; V166-E170 WeakPolarHBondContact O-CG 3.5Å; V166-E170 PolarHBondContact O-N 3Å |
| 167 | N | 95.1 | Very high | 94.8 | Very high | 71 Ų | 71 | 50.7 Ų | 50.7 | 38% | 0.38 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.3 | -40.9 | 177.9 | -70.7 | -14 | 0 | 0 | 0 | 111.4 | R163 E164 I165 E170 Q171 | R163-N167 WeakPolarHBondContact O-CB 3.28Å; R163-N167 PolarHBondContact O-N 2.97Å; R163-N167 PolarHBondContact O-ND2 3.36Å; R163-N167 PolarHBondContact O-OD1 3.41Å; E164-N167 PolarHBondContact O-N 3.25Å; I165-N167 VanDerWaalsContact C-N 3.34Å; I165-N167 PolarHBondContact O-N 3.29Å; N167-E170 PolarHBondContact O-N 3.16Å; N167-Q171 VanDerWaalsContact O-CG 3.31Å; N167-Q171 WeakPolarHBondContact O-CG 3.24Å; N167-Q171 PolarHBondContact O-N 2.99Å |
| 168 | L | 94.9 | Very high | 94.8 | Very high | 18 Ų | 18 | 53.2 Ų | 53.2 | 9% | 0.094 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 175.2 | -67.9 | 171.9 | 0 | 0 | 0 | 111.5 | I46 Y48 E164 I165 V166 Q171 R172 F173 V175 | I46-L168 HydrophobicContact CD1-CD1 4.39Å; Y48-L168 HydrophobicContact CD1-CD1 3.89Å; Y48-L168 HydrophobicContact CD2-CD2 4.45Å; Y48-L168 HydrophobicContact CE1-CD1 3.75Å; Y48-L168 HydrophobicContact CE1-CD2 4.48Å; Y48-L168 HydrophobicContact CE2-CD2 4.09Å; Y48-L168 HydrophobicContact CG-CD1 4.45Å; E164-L168 WeakPolarHBondContact O-CG 3.49Å; E164-L168 PolarHBondContact O-N 2.86Å; E164-L168 VanDerWaalsContact O-N 3.1Å; I165-L168 WeakPolarHBondContact O-CB 3.49Å; I165-L168 PolarHBondContact O-N 2.9Å; V166-L168 VanDerWaalsContact C-N 3.3Å; V166-L168 PolarHBondContact O-N 3.38Å; L168-Q171 PolarHBondContact O-N 3.45Å; L168-R172 PolarHBondContact O-N 3.12Å; L168-F173 HydrophobicContact CB-CB 4.3Å; L168-F173 HydrophobicContact CB-CD2 4.13Å; L168-F173 HydrophobicContact CD2-CD2 3.7Å; L168-F173 HydrophobicContact CD2-CE2 4.24Å; L168-F173 VanDerWaalsContact O-CB 3.27Å; L168-F173 WeakPolarHBondContact O-CB 3.31Å; L168-F173 VanDerWaalsContact O-CD2 3.29Å; L168-F173 WeakPolarHBondContact O-CD2 3.48Å; L168-F173 PolarHBondContact O-N 2.64Å; L168-V175 HydrophobicContact CB-CG2 3.85Å; L168-V175 HydrophobicContact CD1-CG2 4.3Å |
| 169 | L | 94 | Very high | 94.9 | Very high | 29 Ų | 29 | 52.2 Ų | 52.2 | 15% | 0.152 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.5 | -39 | 178.8 | -66.4 | 171.5 | 0 | 0 | 0 | 112.5 | V79 I81 L109 I165 V166 Q171 R172 V175 | V79-L169 HydrophobicContact CB-CD1 4.35Å; V79-L169 HydrophobicContact CB-CD2 4.44Å; V79-L169 HydrophobicContact CG1-CD1 3.86Å; I81-L169 HydrophobicContact CG1-CD1 4.46Å; I81-L169 HydrophobicContact CG2-CD1 3.72Å; L109-L169 HydrophobicContact CD2-CD1 4.27Å; I165-L169 HydrophobicContact CG2-CD1 4.13Å; I165-L169 HydrophobicContact CG2-CG 4.45Å; I165-L169 VanDerWaalsContact O-CG 3.3Å; I165-L169 WeakPolarHBondContact O-CG 3.24Å; I165-L169 PolarHBondContact O-N 3.46Å; V166-L169 PolarHBondContact O-N 3.33Å; V166-L169 VanDerWaalsContact O-N 3.13Å; L169-Q171 VanDerWaalsContact C-N 3.31Å; L169-Q171 PolarHBondContact O-N 2.98Å; L169-R172 WeakPolarHBondContact O-CA 3.46Å; L169-R172 PolarHBondContact O-N 3.03Å; L169-V175 HydrophobicContact CD2-CB 4.1Å; L169-V175 HydrophobicContact CD2-CG2 3.95Å; L169-V175 HydrophobicContact CG-CG2 4.36Å |
| 170 | E | 92.7 | Very high | 95 | Very high | 97 Ų | 97 | 50.5 Ų | 50.5 | 45% | 0.453 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.4 | -34.4 | 176.1 | -73.8 | -178.2 | 170.7 | 0 | 0 | 112.3 | R88 V166 N167 R172 | R88-E170 IonicContact CZ-OE1 3.16Å; R88-E170 IonicContact NH1-OE1 2.75Å; R88-E170 PolarHBondContact NH1-OE1 3.43Å; R88-E170 IonicContact NH2-OE1 2.68Å; R88-E170 PolarHBondContact NH2-OE1 3.41Å; V166-E170 HydrophobicContact CG1-CG 4.24Å; V166-E170 WeakPolarHBondContact O-CG 3.5Å; V166-E170 PolarHBondContact O-N 3Å; N167-E170 PolarHBondContact O-N 3.16Å; E170-R172 PolarHBondContact O-N 3.29Å; E170-R172 VanDerWaalsContact O-N 3.16Å |
| 171 | Q | 92.4 | Very high | 95.2 | Very high | 129 Ų | 129 | 49.9 Ų | 49.9 | 60% | 0.603 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | 6.3 | 171.2 | -68.7 | 176.1 | -2.9 | 0 | 0 | 113.3 | N167 L168 L169 F173 | N167-Q171 VanDerWaalsContact O-CG 3.31Å; N167-Q171 WeakPolarHBondContact O-CG 3.24Å; N167-Q171 PolarHBondContact O-N 2.99Å; L168-Q171 PolarHBondContact O-N 3.45Å; L169-Q171 VanDerWaalsContact C-N 3.31Å; L169-Q171 PolarHBondContact O-N 2.98Å; Q171-F173 VanDerWaalsContact C-N 3.32Å; Q171-F173 HydrophobicContact CB-CD2 3.81Å; Q171-F173 HydrophobicContact CB-CE2 3.62Å; Q171-F173 HydrophobicContact CB-CZ 4.36Å; Q171-F173 PolarHBondContact O-N 3.28Å; Q171-F173 VanDerWaalsContact OE1-CE2 3.28Å |
| 172 | R | 90.3 | Very high | 95.2 | Very high | 227 Ų | 227 | 50 Ų | 50 | 86% | 0.857 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | 24.7 | 179.9 | -53.1 | -175 | 173.9 | -156.2 | -1.5 | 114.4 | L168 L169 E170 | L168-R172 PolarHBondContact O-N 3.12Å; L169-R172 WeakPolarHBondContact O-CA 3.46Å; L169-R172 PolarHBondContact O-N 3.03Å; E170-R172 PolarHBondContact O-N 3.29Å; E170-R172 VanDerWaalsContact O-N 3.16Å |
| 173 | F | 92.6 | Very high | 95.2 | Very high | 38 Ų | 38 | 53.3 Ų | 53.3 | 17% | 0.167 | 26% | 0.259 | C | S | . | . | trans | -71.3 | 138.3 | 168.8 | -64.4 | -53 | 0 | 0 | 0 | 111.7 | P51 L168 Q171 V175 | P51-F173 HydrophobicContact CB-CE1 4.09Å; P51-F173 VanDerWaalsContact CD-CZ 3.47Å; P51-F173 HydrophobicContact CG-CD1 4.47Å; P51-F173 HydrophobicContact CG-CE1 3.29Å; P51-F173 HydrophobicContact CG-CZ 3.58Å; L168-F173 HydrophobicContact CB-CB 4.3Å; L168-F173 HydrophobicContact CB-CD2 4.13Å; L168-F173 HydrophobicContact CD2-CD2 3.7Å; L168-F173 HydrophobicContact CD2-CE2 4.24Å; L168-F173 VanDerWaalsContact O-CB 3.27Å; L168-F173 WeakPolarHBondContact O-CB 3.31Å; L168-F173 VanDerWaalsContact O-CD2 3.29Å; L168-F173 WeakPolarHBondContact O-CD2 3.48Å; L168-F173 PolarHBondContact O-N 2.64Å; Q171-F173 VanDerWaalsContact C-N 3.32Å; Q171-F173 HydrophobicContact CB-CD2 3.81Å; Q171-F173 HydrophobicContact CB-CE2 3.62Å; Q171-F173 HydrophobicContact CB-CZ 4.36Å; Q171-F173 PolarHBondContact O-N 3.28Å; Q171-F173 VanDerWaalsContact OE1-CE2 3.28Å; F173-V175 HydrophobicContact CB-CG2 4.31Å; F173-V175 PolarHBondContact O-N 3.4Å | ||
| 174 | V | 92.5 | Very high | 95.1 | Very high | 81 Ų | 81 | 54 Ų | 54 | 49% | 0.491 | 26% | 0.262 | S | S | . | . | trans | -84.8 | 101 | 169.1 | -177.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 175 | V | 96.1 | Very high | 94.8 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.012 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 128.5 | 177.4 | -173.4 | 0 | 0 | 0 | 0 | 109.5 | I46 V79 I165 L168 L169 F173 | I46-V175 HydrophobicContact CB-CG1 4.13Å; I46-V175 HydrophobicContact CG2-CG1 4.33Å; V79-V175 HydrophobicContact CB-CB 4.38Å; V79-V175 HydrophobicContact CG2-CB 4.26Å; V79-V175 HydrophobicContact CG2-CG1 3.99Å; V79-V175 PolarHBondContact N-O 3.01Å; I165-V175 HydrophobicContact CG2-CG1 4.42Å; L168-V175 HydrophobicContact CB-CG2 3.85Å; L168-V175 HydrophobicContact CD1-CG2 4.3Å; L169-V175 HydrophobicContact CD2-CB 4.1Å; L169-V175 HydrophobicContact CD2-CG2 3.95Å; L169-V175 HydrophobicContact CG-CG2 4.36Å; F173-V175 HydrophobicContact CB-CG2 4.31Å; F173-V175 PolarHBondContact O-N 3.4Å |
| 176 | V | 96.6 | Very high | 94.2 | Very high | 33 Ų | 33 | 57 Ų | 57 | 20% | 0.2 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 128.3 | 170.1 | 172.4 | 0 | 0 | 0 | 0 | 108.4 | T47 R76 R78 | T47-V176 PolarHBondContact N-O 3.49Å; T47-V176 PolarHBondContact O-N 3.24Å; T47-V176 WeakPolarHBondContact OG1-CB 3.23Å; T47-V176 PolarHBondContact OG1-O 3.46Å; R76-V176 HydrophobicContact CG-CG1 4.4Å; R78-V176 HydrophobicContact CG-CG2 4.03Å |
| 177 | M | 97.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 139.5 | 178.9 | -175.5 | -179 | -68.4 | 0 | 0 | 110.8 | V44 N45 I46 R76 G77 V79 V107 V133 I165 I179 | V44-M177 HydrophobicContact CG1-CE 3.95Å; V44-M177 HydrophobicContact CG1-CG 4.15Å; V44-M177 HydrophobicContact CG1-SD 3.98Å; N45-M177 CarbonylContact O-C 3.52Å; N45-M177 WeakPolarHBondContact O-CA 3.32Å; I46-M177 HydrophobicContact CG2-CE 4.12Å; I46-M177 HydrophobicContact CG2-CG 4.48Å; R76-M177 VanDerWaalsContact CA-O 3.29Å; R76-M177 WeakPolarHBondContact CA-O 3.43Å; R76-M177 WeakPolarHBondContact CG-O 3.41Å; G77-M177 PolarHBondContact N-O 2.95Å; G77-M177 PolarHBondContact O-N 3.01Å; V79-M177 HydrophobicContact CG2-CB 3.46Å; V79-M177 VanDerWaalsContact CG2-CB 3.46Å; V79-M177 HydrophobicContact CG2-CE 4.02Å; V107-M177 HydrophobicContact CG1-SD 4.16Å; V133-M177 HydrophobicContact CG2-CE 4.45Å; V133-M177 HydrophobicContact CG2-SD 3.68Å; I165-M177 HydrophobicContact CD1-CE 3.65Å; M177-I179 HydrophobicContact CG-CG1 4.1Å; M177-I179 HydrophobicContact SD-CD1 4.15Å; M177-I179 HydrophobicContact SD-CG1 3.96Å |
| 178 | H | 98 | Very high | 91.7 | Very high | 53 Ų | 53 | 64.8 Ų | 64.8 | 25% | 0.245 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 116.3 | 170.6 | -177.3 | -90.6 | 0 | 0 | 0 | 109.3 | N45 R76 | N45-H178 HydrophobicContact CB-CB 4.2Å; N45-H178 WeakPolarHBondContact CB-O 3.4Å; N45-H178 PolarHBondContact N-O 2.96Å; N45-H178 PolarHBondContact O-N 2.82Å; R76-H178 HydrophobicContact CG-CB 4.34Å |
| 179 | I | 98.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 126.1 | 179.1 | -57.7 | 167.3 | 0 | 0 | 0 | 107.3 | A42 F43 E74 A75 V107 A131 V133 V153 I155 M177 | A42-I179 HydrophobicContact CB-CG2 4.19Å; F43-I179 WeakPolarHBondContact O-CA 3.27Å; E74-I179 VanDerWaalsContact CA-O 3.24Å; E74-I179 WeakPolarHBondContact CA-O 3.47Å; A75-I179 HydrophobicContact CB-CB 4.49Å; A75-I179 PolarHBondContact N-O 3.26Å; A75-I179 PolarHBondContact O-N 3.3Å; V107-I179 HydrophobicContact CG1-CD1 4.37Å; A131-I179 HydrophobicContact CB-CD1 3.82Å; V133-I179 HydrophobicContact CG2-CD1 3.83Å; V153-I179 HydrophobicContact CG1-CG2 4.47Å; I155-I179 HydrophobicContact CD1-CD1 3.81Å; I155-I179 HydrophobicContact CD1-CG1 3.92Å; I155-I179 HydrophobicContact CD1-CG2 3.93Å; I155-I179 HydrophobicContact CG1-CD1 4.16Å; I155-I179 HydrophobicContact CG2-CG2 4.09Å; M177-I179 HydrophobicContact CG-CG1 4.1Å; M177-I179 HydrophobicContact SD-CD1 4.15Å; M177-I179 HydrophobicContact SD-CG1 3.96Å |
| 180 | S | 97.8 | Very high | 88.7 | Confident | 11 Ų | 11 | 71 Ų | 71 | 8% | 0.077 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 155.7 | 175.2 | 44.4 | 0 | 0 | 0 | 0 | 110.9 | A42 F43 Y66 G182 | A42-S180 WeakPolarHBondContact CA-O 3.44Å; F43-S180 VanDerWaalsContact CB-OG 3.32Å; F43-S180 WeakPolarHBondContact CB-OG 3.3Å; F43-S180 PolarHBondContact N-O 2.85Å; F43-S180 PolarHBondContact O-N 2.79Å; Y66-S180 PolarHBondContact OH-O 2.68Å; S180-G182 PolarHBondContact O-N 3.15Å |
| 181 | V | 97.8 | Very high | 87.5 | Confident | 55 Ų | 55 | 68.7 Ų | 68.7 | 33% | 0.333 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 129.7 | -178.6 | -175 | 0 | 0 | 0 | 0 | 109.2 | Y40 Y66 K72 | Y40-V181 HydrophobicContact CD1-CG1 4.21Å; Y66-V181 PolarHBondContact OH-N 3.18Å; K72-V181 WeakPolarHBondContact O-CG2 3.48Å |
| 182 | G | 96 | Very high | 86.6 | Confident | 16 Ų | 16 | 73.1 Ų | 73.1 | 17% | 0.165 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | -155.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | T41 S180 | T41-G182 VanDerWaalsContact O-CA 3.27Å; T41-G182 WeakPolarHBondContact O-CA 3.38Å; T41-G182 PolarHBondContact O-N 3.4Å; T41-G182 WeakPolarHBondContact OG1-CA 3.29Å; S180-G182 PolarHBondContact O-N 3.15Å |
| 183 | T | 94.8 | Very high | 85.8 | Confident | 71 Ų | 71 | 67.5 Ų | 67.5 | 44% | 0.436 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 134.2 | 176.4 | -50.4 | 0 | 0 | 0 | 0 | 112.8 | T41 E62 N185 | T41-T183 PolarHBondContact N-O 3.2Å; T41-T183 WeakPolarHBondContact OG1-CA 3.41Å; T41-T183 PolarHBondContact OG1-N 3.41Å; T41-T183 PolarHBondContact OG1-O 3.02Å; E62-T183 VanDerWaalsContact OE1-CB 3.3Å; E62-T183 WeakPolarHBondContact OE1-CB 3.25Å; E62-T183 PolarHBondContact OE1-N 3Å; E62-T183 VanDerWaalsContact OE1-N 3.15Å; E62-T183 PolarHBondContact OE1-OG1 3.17Å; T183-N185 PolarHBondContact O-ND2 3.41Å |
| 184 | R | 93.6 | Very high | 84.9 | Confident | 136 Ų | 136 | 66.9 Ų | 66.9 | 51% | 0.513 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 116.5 | 168.6 | -178.8 | -177.8 | 177.2 | -177.5 | 1.5 | 109.3 | E38 Y40 | E38-R184 IonicContact OE1-CZ 3.56Å; E38-R184 IonicContact OE1-NE 2.63Å; E38-R184 PolarHBondContact OE1-NE 3.49Å; E38-R184 IonicContact OE1-NH2 2.83Å; E38-R184 PolarHBondContact OE1-NH2 3.43Å; E38-R184 IonicContact OE2-CZ 2.84Å; E38-R184 IonicContact OE2-NE 3.87Å; E38-R184 IonicContact OE2-NH2 3.99Å; E38-R184 PolarHBondContact OE2-NH2 3.42Å; Y40-R184 HydrophobicContact CD1-CB 4.06Å; Y40-R184 HydrophobicContact CD1-CG 4.37Å; Y40-R184 HydrophobicContact CE1-CB 3.71Å; Y40-R184 HydrophobicContact CE1-CG 3.74Å; Y40-R184 HydrophobicContact CE2-CG 4.35Å; Y40-R184 WeakPolarHBondContact OH-CD 3.3Å; Y40-R184 PolarHBondContact OH-NE 2.92Å |
| 185 | N | 88.5 | Confident | 84.1 | Confident | 50 Ų | 50 | 66.4 Ų | 66.4 | 27% | 0.267 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 135.6 | 178.2 | -76.2 | -84.4 | 0 | 0 | 0 | 110.4 | W39 T183 | W39-N185 HydrophobicContact CD2-CB 3.62Å; W39-N185 HydrophobicContact CE3-CB 4.01Å; W39-N185 HydrophobicContact CG-CB 4.25Å; W39-N185 HydrophobicContact CH2-CB 3.76Å; W39-N185 VanDerWaalsContact CH2-CG 3.43Å; W39-N185 WeakPolarHBondContact CH2-ND2 3.43Å; W39-N185 HydrophobicContact CZ2-CB 3.33Å; W39-N185 VanDerWaalsContact CZ2-CG 3.44Å; W39-N185 HydrophobicContact CZ3-CB 4.1Å; W39-N185 WeakPolarHBondContact CZ3-ND2 3.34Å; W39-N185 PolarHBondContact N-O 3.2Å; W39-N185 VanDerWaalsContact N-O 3.13Å; W39-N185 PolarHBondContact O-N 3.15Å; T183-N185 PolarHBondContact O-ND2 3.41Å |
| 186 | L | 83.3 | Confident | 83.3 | Confident | 77 Ų | 77 | 70.1 Ų | 70.1 | 40% | 0.403 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 103.9 | 178.8 | -156.8 | 82.1 | 0 | 0 | 0 | 109.9 | K36 E38 K188 | K36-L186 HydrophobicContact CD-CD1 3.97Å; K36-L186 HydrophobicContact CD-CD2 4.32Å; K36-L186 HydrophobicContact CD-CG 4.46Å; K36-L186 HydrophobicContact CG-CD1 3.75Å; K36-L186 HydrophobicContact CG-CD2 4.25Å; K36-L186 HydrophobicContact CG-CG 4.03Å; E38-L186 HydrophobicContact CB-CD1 4.03Å; E38-L186 HydrophobicContact CG-CD1 4.17Å; L186-K188 HydrophobicContact CD2-CG 4.41Å |
| 187 | Q | 71.6 | Confident | 82.4 | Confident | 82 Ų | 82 | 75.4 Ų | 75.4 | 38% | 0.383 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 110 | 175.3 | -158.6 | 157.1 | -12.5 | 0 | 0 | 109.4 | E37 Y189 | E37-Q187 PolarHBondContact N-O 3.34Å; E37-Q187 VanDerWaalsContact N-O 3.07Å; E37-Q187 PolarHBondContact O-N 3.4Å; Q187-Y189 HydrophobicContact CB-CD2 4.1Å; Q187-Y189 HydrophobicContact CB-CE2 3.56Å; Q187-Y189 HydrophobicContact CG-CD1 4.29Å; Q187-Y189 HydrophobicContact CG-CD2 3.85Å; Q187-Y189 HydrophobicContact CG-CE1 3.84Å; Q187-Y189 HydrophobicContact CG-CE2 3.34Å; Q187-Y189 HydrophobicContact CG-CG 4.33Å; Q187-Y189 PolarHBondContact NE2-OH 2.86Å; Q187-Y189 PolarHBondContact OE1-OH 2.99Å |
| 188 | K | 66.7 | Low | 81.5 | Confident | 155 Ų | 155 | 77 Ų | 77 | 67% | 0.674 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 107.9 | 169.7 | -68.9 | -176.3 | -178.8 | -179.7 | 0 | 107.5 | A34 L186 | A34-K188 HydrophobicContact CB-CB 4.23Å; L186-K188 HydrophobicContact CD2-CG 4.41Å |
| 189 | Y | 63.4 | Low | 80.7 | Confident | 100 Ų | 100 | 77 Ų | 77 | 39% | 0.392 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 113.8 | 174.5 | -67.7 | -85.3 | 0 | 0 | 0 | 109.5 | A34 E35 E37 Q187 S191 | A34-Y189 VanDerWaalsContact CA-O 3.23Å; A34-Y189 WeakPolarHBondContact CA-O 3.49Å; E35-Y189 PolarHBondContact N-O 3.44Å; E35-Y189 PolarHBondContact O-N 3.49Å; E35-Y189 VanDerWaalsContact O-N 3.11Å; E37-Y189 HydrophobicContact CB-CD2 4.33Å; E37-Y189 HydrophobicContact CB-CE2 3.98Å; E37-Y189 WeakPolarHBondContact OE2-CE2 3.34Å; Q187-Y189 HydrophobicContact CB-CD2 4.1Å; Q187-Y189 HydrophobicContact CB-CE2 3.56Å; Q187-Y189 HydrophobicContact CG-CD1 4.29Å; Q187-Y189 HydrophobicContact CG-CD2 3.85Å; Q187-Y189 HydrophobicContact CG-CE1 3.84Å; Q187-Y189 HydrophobicContact CG-CE2 3.34Å; Q187-Y189 HydrophobicContact CG-CG 4.33Å; Q187-Y189 PolarHBondContact NE2-OH 2.86Å; Q187-Y189 PolarHBondContact OE1-OH 2.99Å; Y189-S191 PolarHBondContact O-N 3.35Å |
| 190 | V | 62.8 | Low | 80.1 | Confident | 79 Ų | 79 | 81.4 Ų | 81.4 | 48% | 0.479 | 42% | 0.415 | S | S | . | . | trans | -79.9 | 112.1 | 163.4 | -178.1 | 0 | 0 | 0 | 0 | 106.4 | R192 V195 | V190-R192 PolarHBondContact O-N 3.13Å; V190-V195 HydrophobicContact CG1-CG2 3.47Å; V190-V195 VanDerWaalsContact CG1-CG2 3.47Å | ||
| 191 | S | 66.4 | Low | 79.4 | Confident | 47 Ų | 47 | 82.9 Ų | 82.9 | 33% | 0.329 | 43% | 0.426 | S | S | . | . | trans | -63.2 | 129.2 | -177.8 | 84.9 | 0 | 0 | 0 | 0 | 109.8 | Y189 T193 S194 V195 | Y189-S191 PolarHBondContact O-N 3.35Å; S191-T193 PolarHBondContact O-N 2.77Å; S191-T193 PolarHBondContact OG-OG1 3.03Å; S191-S194 PolarHBondContact O-N 3.07Å; S191-S194 PolarHBondContact O-OG 3.37Å; S191-S194 WeakPolarHBondContact OG-CB 3.21Å; S191-S194 PolarHBondContact OG-N 3.39Å; S191-S194 PolarHBondContact OG-OG 2.67Å; S191-V195 PolarHBondContact O-N 3.3Å | ||
| 192 | R | 73.1 | Confident | 78.6 | Confident | 223 Ų | 223 | 83.7 Ų | 83.7 | 84% | 0.842 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -60.3 | -32.6 | 178.8 | -67.2 | -173.2 | -178.5 | -178 | 1.4 | 111.2 | V190 V195 V196 | V190-R192 PolarHBondContact O-N 3.13Å; R192-V195 PolarHBondContact O-N 2.73Å; R192-V196 VanDerWaalsContact O-CG2 3.31Å; R192-V196 WeakPolarHBondContact O-CG2 3.48Å; R192-V196 PolarHBondContact O-N 3.47Å; R192-V196 VanDerWaalsContact O-N 3.1Å |
| 193 | T | 73.3 | Confident | 78.1 | Confident | 109 Ų | 109 | 87.1 Ų | 87.1 | 67% | 0.669 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -67.2 | -41.8 | 177 | 46 | 0 | 0 | 0 | 0 | 112.5 | S191 V195 V196 F197 | S191-T193 PolarHBondContact O-N 2.77Å; S191-T193 PolarHBondContact OG-OG1 3.03Å; T193-V195 VanDerWaalsContact C-N 3.33Å; T193-V195 PolarHBondContact O-N 2.97Å; T193-V196 PolarHBondContact O-N 2.87Å; T193-F197 WeakPolarHBondContact O-CB 3.42Å; T193-F197 PolarHBondContact O-N 3.28Å |
| 194 | S | 74.8 | Confident | 77.6 | Confident | 25 Ų | 25 | 87.1 Ų | 87.1 | 18% | 0.175 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -64 | -39.5 | 175.6 | 64.7 | 0 | 0 | 0 | 0 | 111.6 | S191 F197 V198 | S191-S194 PolarHBondContact O-N 3.07Å; S191-S194 PolarHBondContact O-OG 3.37Å; S191-S194 WeakPolarHBondContact OG-CB 3.21Å; S191-S194 PolarHBondContact OG-N 3.39Å; S191-S194 PolarHBondContact OG-OG 2.67Å; S194-F197 PolarHBondContact O-N 3.11Å; S194-V198 WeakPolarHBondContact O-CB 3.35Å; S194-V198 VanDerWaalsContact O-CG2 3.28Å; S194-V198 WeakPolarHBondContact O-CG2 3.39Å; S194-V198 PolarHBondContact O-N 3.41Å |
| 195 | V | 75.3 | Confident | 77.2 | Confident | 70 Ų | 70 | 85 Ų | 85 | 42% | 0.424 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.4 | -46.3 | 177 | 178.2 | 0 | 0 | 0 | 0 | 111.1 | V190 S191 R192 T193 F197 V198 S199 | V190-V195 HydrophobicContact CG1-CG2 3.47Å; V190-V195 VanDerWaalsContact CG1-CG2 3.47Å; S191-V195 PolarHBondContact O-N 3.3Å; R192-V195 PolarHBondContact O-N 2.73Å; T193-V195 VanDerWaalsContact C-N 3.33Å; T193-V195 PolarHBondContact O-N 2.97Å; V195-F197 PolarHBondContact O-N 3.25Å; V195-V198 PolarHBondContact O-N 2.7Å; V195-S199 PolarHBondContact O-N 2.93Å; V195-S199 PolarHBondContact O-OG 3.49Å |
| 196 | V | 79.1 | Confident | 76.8 | Confident | 80 Ų | 80 | 86.8 Ų | 86.8 | 49% | 0.485 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.3 | -45 | 177.9 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | R192 T193 V198 S199 I200 | R192-V196 VanDerWaalsContact O-CG2 3.31Å; R192-V196 WeakPolarHBondContact O-CG2 3.48Å; R192-V196 PolarHBondContact O-N 3.47Å; R192-V196 VanDerWaalsContact O-N 3.1Å; T193-V196 PolarHBondContact O-N 2.87Å; V196-V198 PolarHBondContact O-N 3.1Å; V196-S199 WeakPolarHBondContact CA-OG 3.33Å; V196-S199 PolarHBondContact O-N 2.85Å; V196-S199 PolarHBondContact O-OG 3.21Å; V196-I200 HydrophobicContact CG1-CD1 3.67Å; V196-I200 HydrophobicContact CG1-CG1 4.34Å; V196-I200 WeakPolarHBondContact O-CG1 3.26Å; V196-I200 PolarHBondContact O-N 3.21Å |
| 197 | F | 77.9 | Confident | 77.1 | Confident | 144 Ų | 144 | 87.7 Ų | 87.7 | 63% | 0.632 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -60.6 | -43.7 | 179.1 | -177 | -97 | 0 | 0 | 0 | 112.8 | T193 S194 V195 I200 S201 | T193-F197 WeakPolarHBondContact O-CB 3.42Å; T193-F197 PolarHBondContact O-N 3.28Å; S194-F197 PolarHBondContact O-N 3.11Å; V195-F197 PolarHBondContact O-N 3.25Å; F197-I200 PolarHBondContact O-N 2.99Å; F197-S201 PolarHBondContact O-N 3.24Å; F197-S201 VanDerWaalsContact O-N 3.13Å; F197-S201 PolarHBondContact O-OG 3.01Å |
| 198 | V | 79.3 | Confident | 77.8 | Confident | 33 Ų | 33 | 88 Ų | 88 | 20% | 0.2 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -61.4 | -44.8 | 175.3 | 167.1 | 0 | 0 | 0 | 0 | 110.9 | C28 S194 V195 V196 I200 S201 F202 | C28-V198 HydrophobicContact CB-CG1 3.64Å; C28-V198 HydrophobicContact CB-CG2 4.35Å; S194-V198 WeakPolarHBondContact O-CB 3.35Å; S194-V198 VanDerWaalsContact O-CG2 3.28Å; S194-V198 WeakPolarHBondContact O-CG2 3.39Å; S194-V198 PolarHBondContact O-N 3.41Å; V195-V198 PolarHBondContact O-N 2.7Å; V196-V198 PolarHBondContact O-N 3.1Å; V198-I200 PolarHBondContact O-N 3.38Å; V198-S201 PolarHBondContact O-N 3.5Å; V198-F202 PolarHBondContact O-N 3.45Å |
| 199 | S | 81.9 | Confident | 78.7 | Confident | 53 Ų | 53 | 81.9 Ų | 81.9 | 37% | 0.371 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.7 | -41.2 | -179.4 | 71.3 | 0 | 0 | 0 | 0 | 113.2 | V195 V196 F202 I203 | V195-S199 PolarHBondContact O-N 2.93Å; V195-S199 PolarHBondContact O-OG 3.49Å; V196-S199 WeakPolarHBondContact CA-OG 3.33Å; V196-S199 PolarHBondContact O-N 2.85Å; V196-S199 PolarHBondContact O-OG 3.21Å; S199-F202 PolarHBondContact O-N 2.67Å; S199-I203 WeakPolarHBondContact O-CG1 3.31Å; S199-I203 PolarHBondContact O-N 3.13Å; S199-I203 VanDerWaalsContact O-N 3.15Å |
| 200 | I | 84.5 | Confident | 79.8 | Confident | 93 Ų | 93 | 81.4 Ų | 81.4 | 48% | 0.477 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65.3 | -44.3 | 178.6 | -67.5 | 169.2 | 0 | 0 | 0 | 110.4 | V196 F197 V198 F202 I203 V204 | V196-I200 HydrophobicContact CG1-CD1 3.67Å; V196-I200 HydrophobicContact CG1-CG1 4.34Å; V196-I200 WeakPolarHBondContact O-CG1 3.26Å; V196-I200 PolarHBondContact O-N 3.21Å; F197-I200 PolarHBondContact O-N 2.99Å; V198-I200 PolarHBondContact O-N 3.38Å; I200-F202 VanDerWaalsContact C-N 3.27Å; I200-F202 PolarHBondContact O-N 3Å; I200-I203 PolarHBondContact O-N 3.3Å; I200-V204 HydrophobicContact CG2-CG2 4.42Å; I200-V204 WeakPolarHBondContact O-CG2 3.3Å; I200-V204 PolarHBondContact O-N 3.35Å |
| 201 | S | 83.1 | Confident | 81.2 | Confident | 43 Ų | 43 | 80.4 Ų | 80.4 | 30% | 0.301 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -58.6 | -41.7 | 179.3 | -58.6 | 0 | 0 | 0 | 0 | 111.6 | F197 V198 V204 L205 | F197-S201 PolarHBondContact O-N 3.24Å; F197-S201 VanDerWaalsContact O-N 3.13Å; F197-S201 PolarHBondContact O-OG 3.01Å; V198-S201 PolarHBondContact O-N 3.5Å; S201-V204 PolarHBondContact O-N 3.13Å; S201-L205 WeakPolarHBondContact O-CG 3.32Å; S201-L205 PolarHBondContact O-N 2.83Å; S201-L205 VanDerWaalsContact O-N 3.12Å |
| 202 | F | 82 | Confident | 82.3 | Confident | 72 Ų | 72 | 87.1 Ų | 87.1 | 32% | 0.316 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.9 | -44.9 | 176.6 | -179.3 | -93.1 | 0 | 0 | 0 | 113 | F21 V198 S199 I200 V204 L205 M206 | F21-F202 HydrophobicContact CD2-CE2 4.24Å; F21-F202 HydrophobicContact CE1-CE2 4.03Å; F21-F202 HydrophobicContact CE1-CZ 4.37Å; F21-F202 HydrophobicContact CE2-CD2 4.05Å; F21-F202 AromaticContact CE2-CE2 3.18Å; F21-F202 HydrophobicContact CE2-CE2 3.18Å; F21-F202 AromaticContact CE2-CZ 3.64Å; F21-F202 HydrophobicContact CE2-CZ 3.64Å; F21-F202 HydrophobicContact CZ-CD2 4.3Å; F21-F202 AromaticContact CZ-CE2 3.1Å; F21-F202 HydrophobicContact CZ-CE2 3.1Å; F21-F202 AromaticContact CZ-CZ 3.3Å; F21-F202 HydrophobicContact CZ-CZ 3.3Å; V198-F202 PolarHBondContact O-N 3.45Å; S199-F202 PolarHBondContact O-N 2.67Å; I200-F202 VanDerWaalsContact C-N 3.27Å; I200-F202 PolarHBondContact O-N 3Å; F202-V204 VanDerWaalsContact C-N 3.33Å; F202-V204 PolarHBondContact O-N 2.73Å; F202-L205 PolarHBondContact O-N 2.8Å; F202-M206 PolarHBondContact O-N 2.87Å |
| 203 | I | 84.8 | Confident | 82.8 | Confident | 87 Ų | 87 | 80.8 Ų | 80.8 | 45% | 0.446 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.8 | -42.7 | 178.7 | -66.6 | 165.5 | 0 | 0 | 0 | 110.6 | S199 I200 M206 I207 | S199-I203 WeakPolarHBondContact O-CG1 3.31Å; S199-I203 PolarHBondContact O-N 3.13Å; S199-I203 VanDerWaalsContact O-N 3.15Å; I200-I203 PolarHBondContact O-N 3.3Å; I203-M206 WeakPolarHBondContact O-CB 3.32Å; I203-M206 PolarHBondContact O-N 2.83Å; I203-I207 HydrophobicContact CG2-CD1 3.88Å; I203-I207 WeakPolarHBondContact O-CG1 3.17Å; I203-I207 PolarHBondContact O-N 3.35Å |
| 204 | V | 85.1 | Confident | 83.6 | Confident | 72 Ų | 72 | 79.3 Ų | 79.3 | 44% | 0.436 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 178.7 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | I200 S201 F202 M206 I207 I208 | I200-V204 HydrophobicContact CG2-CG2 4.42Å; I200-V204 WeakPolarHBondContact O-CG2 3.3Å; I200-V204 PolarHBondContact O-N 3.35Å; S201-V204 PolarHBondContact O-N 3.13Å; F202-V204 VanDerWaalsContact C-N 3.33Å; F202-V204 PolarHBondContact O-N 2.73Å; V204-M206 VanDerWaalsContact C-N 3.32Å; V204-M206 PolarHBondContact O-N 3.17Å; V204-I207 PolarHBondContact O-N 2.86Å; V204-I208 HydrophobicContact CG1-CD1 3.84Å; V204-I208 WeakPolarHBondContact O-CG1 3.29Å; V204-I208 PolarHBondContact O-N 3.19Å |
| 205 | L | 83.4 | Confident | 84.5 | Confident | 92 Ų | 92 | 84 Ų | 84 | 48% | 0.482 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.5 | -39.6 | 177.4 | -69.4 | 175 | 0 | 0 | 0 | 112.1 | V24 S201 F202 I208 S209 | V24-L205 HydrophobicContact CG1-CD1 4.22Å; S201-L205 WeakPolarHBondContact O-CG 3.32Å; S201-L205 PolarHBondContact O-N 2.83Å; S201-L205 VanDerWaalsContact O-N 3.12Å; F202-L205 PolarHBondContact O-N 2.8Å; L205-I208 PolarHBondContact O-N 3.08Å; L205-S209 WeakPolarHBondContact O-CB 3.37Å; L205-S209 PolarHBondContact O-N 3.3Å |
| 206 | M | 81.8 | Confident | 85.2 | Confident | 86 Ų | 86 | 86 Ų | 86 | 42% | 0.424 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.6 | -46.1 | 174.9 | -171.2 | -162 | 74.5 | 0 | 0 | 111.3 | F202 I203 V204 I208 S209 L210 | F202-M206 PolarHBondContact O-N 2.87Å; I203-M206 WeakPolarHBondContact O-CB 3.32Å; I203-M206 PolarHBondContact O-N 2.83Å; V204-M206 VanDerWaalsContact C-N 3.32Å; V204-M206 PolarHBondContact O-N 3.17Å; M206-I208 PolarHBondContact O-N 3.16Å; M206-S209 PolarHBondContact O-N 3.15Å; M206-S209 PolarHBondContact O-OG 3.15Å; M206-L210 HydrophobicContact CE-CD1 4.11Å; M206-L210 HydrophobicContact CG-CD1 4.18Å; M206-L210 WeakPolarHBondContact O-CG 3.35Å; M206-L210 PolarHBondContact O-N 2.76Å |
| 207 | I | 88.6 | Confident | 85.6 | Confident | 96 Ų | 96 | 88.3 Ų | 88.3 | 49% | 0.492 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.7 | -44.9 | 179.1 | -67.5 | 166.3 | 0 | 0 | 0 | 111.1 | I203 V204 S209 L210 A211 | I203-I207 HydrophobicContact CG2-CD1 3.88Å; I203-I207 WeakPolarHBondContact O-CG1 3.17Å; I203-I207 PolarHBondContact O-N 3.35Å; V204-I207 PolarHBondContact O-N 2.86Å; I207-S209 VanDerWaalsContact C-N 3.3Å; I207-S209 PolarHBondContact O-N 3.39Å; I207-L210 PolarHBondContact O-N 2.56Å; I207-A211 WeakPolarHBondContact O-CB 3.46Å; I207-A211 PolarHBondContact O-N 3.24Å |
| 208 | I | 87.4 | Confident | 86.2 | Confident | 90 Ų | 90 | 85.7 Ų | 85.7 | 46% | 0.462 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.1 | -42.8 | 177.8 | -66.9 | 166.9 | 0 | 0 | 0 | 110.5 | V204 L205 M206 A211 W212 | V204-I208 HydrophobicContact CG1-CD1 3.84Å; V204-I208 WeakPolarHBondContact O-CG1 3.29Å; V204-I208 PolarHBondContact O-N 3.19Å; L205-I208 PolarHBondContact O-N 3.08Å; M206-I208 PolarHBondContact O-N 3.16Å; I208-A211 PolarHBondContact O-N 2.83Å; I208-W212 PolarHBondContact O-N 2.76Å |
| 209 | S | 85.6 | Confident | 86.4 | Confident | 26 Ų | 26 | 89.5 Ų | 89.5 | 18% | 0.182 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 178.1 | 78.5 | 0 | 0 | 0 | 0 | 113 | L205 M206 I207 W212 L213 | L205-S209 WeakPolarHBondContact O-CB 3.37Å; L205-S209 PolarHBondContact O-N 3.3Å; M206-S209 PolarHBondContact O-N 3.15Å; M206-S209 PolarHBondContact O-OG 3.15Å; I207-S209 VanDerWaalsContact C-N 3.3Å; I207-S209 PolarHBondContact O-N 3.39Å; S209-W212 PolarHBondContact O-N 2.79Å; S209-L213 WeakPolarHBondContact O-CB 3.24Å; S209-L213 PolarHBondContact O-N 2.73Å |
| 210 | L | 86.1 | Confident | 86.7 | Confident | 90 Ų | 90 | 92 Ų | 92 | 47% | 0.471 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -67.7 | -42.1 | -179.9 | -72.7 | 170.4 | 0 | 0 | 0 | 110.9 | M206 I207 W212 L213 V214 | M206-L210 HydrophobicContact CE-CD1 4.11Å; M206-L210 HydrophobicContact CG-CD1 4.18Å; M206-L210 WeakPolarHBondContact O-CG 3.35Å; M206-L210 PolarHBondContact O-N 2.76Å; I207-L210 PolarHBondContact O-N 2.56Å; L210-W212 VanDerWaalsContact C-N 3.34Å; L210-W212 PolarHBondContact O-N 2.76Å; L210-L213 PolarHBondContact O-N 2.86Å; L210-V214 WeakPolarHBondContact O-CB 3.38Å; L210-V214 VanDerWaalsContact O-CG2 3.28Å; L210-V214 WeakPolarHBondContact O-CG2 3.4Å; L210-V214 PolarHBondContact O-N 2.96Å |
| 211 | A | 91.1 | Very high | 86.8 | Confident | 58 Ų | 58 | 94 Ų | 94 | 48% | 0.479 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.3 | -43.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I207 I208 V214 F215 | I207-A211 WeakPolarHBondContact O-CB 3.46Å; I207-A211 PolarHBondContact O-N 3.24Å; I208-A211 PolarHBondContact O-N 2.83Å; A211-V214 PolarHBondContact O-N 3.32Å; A211-F215 WeakPolarHBondContact O-CB 3.46Å; A211-F215 PolarHBondContact O-N 3Å |
| 212 | W | 90 | Very high | 86.9 | Confident | 187 Ų | 187 | 100.7 Ų | 100.7 | 71% | 0.708 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.6 | -43.1 | 175.3 | -102.7 | 86.7 | 0 | 0 | 0 | 112.7 | I208 S209 L210 F215 Y216 | I208-W212 PolarHBondContact O-N 2.76Å; S209-W212 PolarHBondContact O-N 2.79Å; L210-W212 VanDerWaalsContact C-N 3.34Å; L210-W212 PolarHBondContact O-N 2.76Å; W212-F215 PolarHBondContact O-N 3Å; W212-Y216 VanDerWaalsContact O-CB 3.29Å; W212-Y216 WeakPolarHBondContact O-CB 3.27Å; W212-Y216 PolarHBondContact O-N 3.45Å |
| 213 | L | 84.1 | Confident | 86.9 | Confident | 90 Ų | 90 | 104.8 Ų | 104.8 | 47% | 0.471 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64 | -45.9 | 177.8 | -177.5 | 145 | 0 | 0 | 0 | 111 | S209 L210 Y216 Y217 | S209-L213 WeakPolarHBondContact O-CB 3.24Å; S209-L213 PolarHBondContact O-N 2.73Å; L210-L213 PolarHBondContact O-N 2.86Å; L213-Y216 WeakPolarHBondContact O-CB 3.43Å; L213-Y216 PolarHBondContact O-N 3.46Å; L213-Y217 HydrophobicContact CD1-CE2 4.24Å; L213-Y217 HydrophobicContact CD2-CD2 3.5Å; L213-Y217 VanDerWaalsContact CD2-CD2 3.5Å; L213-Y217 HydrophobicContact CD2-CE2 3.53Å; L213-Y217 HydrophobicContact CG-CD2 3.82Å; L213-Y217 HydrophobicContact CG-CE2 3.69Å; L213-Y217 WeakPolarHBondContact O-CD2 3.46Å; L213-Y217 PolarHBondContact O-N 3.42Å |
| 214 | V | 90.7 | Very high | 86.7 | Confident | 78 Ų | 78 | 103.2 Ų | 103.2 | 47% | 0.473 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.8 | -47.9 | 175.8 | 170.4 | 0 | 0 | 0 | 0 | 110.4 | L210 A211 Y216 Y217 I218 | L210-V214 WeakPolarHBondContact O-CB 3.38Å; L210-V214 VanDerWaalsContact O-CG2 3.28Å; L210-V214 WeakPolarHBondContact O-CG2 3.4Å; L210-V214 PolarHBondContact O-N 2.96Å; A211-V214 PolarHBondContact O-N 3.32Å; V214-Y216 VanDerWaalsContact C-N 3.34Å; V214-Y216 PolarHBondContact O-N 2.73Å; V214-Y217 PolarHBondContact O-N 3.28Å; V214-I218 HydrophobicContact CG1-CD1 3.65Å; V214-I218 HydrophobicContact CG1-CG1 4.32Å; V214-I218 VanDerWaalsContact O-CG1 3.26Å; V214-I218 WeakPolarHBondContact O-CG1 3.17Å; V214-I218 PolarHBondContact O-N 3.46Å |
| 215 | F | 92.3 | Very high | 86.5 | Confident | 123 Ų | 123 | 102.6 Ų | 102.6 | 54% | 0.539 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.8 | -44.4 | 177.2 | -175.7 | -95.5 | 0 | 0 | 0 | 111.9 | A211 W212 Y217 I218 Q219 | A211-F215 WeakPolarHBondContact O-CB 3.46Å; A211-F215 PolarHBondContact O-N 3Å; W212-F215 PolarHBondContact O-N 3Å; F215-Y217 PolarHBondContact O-N 3.36Å; F215-I218 PolarHBondContact O-N 3.33Å; F215-Q219 VanDerWaalsContact O-CB 3.29Å; F215-Q219 WeakPolarHBondContact O-CB 3.19Å; F215-Q219 PolarHBondContact O-N 3.01Å |
| 216 | Y | 89.8 | Confident | 86.5 | Confident | 113 Ų | 113 | 101 Ų | 101 | 44% | 0.443 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.1 | -46 | 175.9 | 173.6 | -96.2 | 0 | 0 | 0 | 112 | W212 L213 V214 Q219 R220 | W212-Y216 VanDerWaalsContact O-CB 3.29Å; W212-Y216 WeakPolarHBondContact O-CB 3.27Å; W212-Y216 PolarHBondContact O-N 3.45Å; L213-Y216 WeakPolarHBondContact O-CB 3.43Å; L213-Y216 PolarHBondContact O-N 3.46Å; V214-Y216 VanDerWaalsContact C-N 3.34Å; V214-Y216 PolarHBondContact O-N 2.73Å; Y216-Q219 PolarHBondContact O-N 2.9Å; Y216-R220 WeakPolarHBondContact O-CB 3.48Å; Y216-R220 PolarHBondContact O-N 2.8Å |
| 217 | Y | 88.2 | Confident | 86.5 | Confident | 128 Ų | 128 | 103.4 Ų | 103.4 | 50% | 0.502 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.8 | -42.5 | 177.5 | -85.6 | -73.1 | 0 | 0 | 0 | 112.2 | L213 V214 F215 R220 F221 | L213-Y217 HydrophobicContact CD1-CE2 4.24Å; L213-Y217 HydrophobicContact CD2-CD2 3.5Å; L213-Y217 VanDerWaalsContact CD2-CD2 3.5Å; L213-Y217 HydrophobicContact CD2-CE2 3.53Å; L213-Y217 HydrophobicContact CG-CD2 3.82Å; L213-Y217 HydrophobicContact CG-CE2 3.69Å; L213-Y217 WeakPolarHBondContact O-CD2 3.46Å; L213-Y217 PolarHBondContact O-N 3.42Å; V214-Y217 PolarHBondContact O-N 3.28Å; F215-Y217 PolarHBondContact O-N 3.36Å; Y217-R220 PolarHBondContact O-N 2.99Å; Y217-F221 VanDerWaalsContact O-CB 3.28Å; Y217-F221 WeakPolarHBondContact O-CB 3.49Å; Y217-F221 PolarHBondContact O-N 3.02Å |
| 218 | I | 90.2 | Very high | 86.1 | Confident | 90 Ų | 90 | 101.8 Ų | 101.8 | 46% | 0.462 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.3 | -49.8 | 176 | -68.4 | 169.8 | 0 | 0 | 0 | 110.1 | V214 F215 R220 F221 R222 | V214-I218 HydrophobicContact CG1-CD1 3.65Å; V214-I218 HydrophobicContact CG1-CG1 4.32Å; V214-I218 VanDerWaalsContact O-CG1 3.26Å; V214-I218 WeakPolarHBondContact O-CG1 3.17Å; V214-I218 PolarHBondContact O-N 3.46Å; F215-I218 PolarHBondContact O-N 3.33Å; I218-R220 VanDerWaalsContact C-N 3.3Å; I218-R220 PolarHBondContact O-N 3.43Å; I218-F221 PolarHBondContact O-N 2.81Å; I218-R222 HydrophobicContact CG2-CG 4.42Å; I218-R222 WeakPolarHBondContact O-CB 3.42Å; I218-R222 VanDerWaalsContact O-CG 3.28Å; I218-R222 WeakPolarHBondContact O-CG 3.49Å; I218-R222 PolarHBondContact O-N 2.98Å |
| 219 | Q | 84.4 | Confident | 85.9 | Confident | 113 Ų | 113 | 106 Ų | 106 | 53% | 0.528 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.4 | -43.4 | 179.9 | -172 | 177.5 | 10.3 | 0 | 0 | 110.8 | F215 Y216 R222 Y223 | F215-Q219 VanDerWaalsContact O-CB 3.29Å; F215-Q219 WeakPolarHBondContact O-CB 3.19Å; F215-Q219 PolarHBondContact O-N 3.01Å; Y216-Q219 PolarHBondContact O-N 2.9Å; Q219-R222 PolarHBondContact O-N 3.02Å; Q219-Y223 VanDerWaalsContact O-CB 3.29Å; Q219-Y223 WeakPolarHBondContact O-CB 3.11Å; Q219-Y223 PolarHBondContact O-N 3.2Å |
| 220 | R | 86.8 | Confident | 85.6 | Confident | 104 Ų | 104 | 109 Ų | 109 | 39% | 0.392 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.2 | -41.9 | 178.7 | -174.8 | 171 | 179.8 | -153.1 | 1.7 | 112.8 | Y216 Y217 I218 Y223 A224 | Y216-R220 WeakPolarHBondContact O-CB 3.48Å; Y216-R220 PolarHBondContact O-N 2.8Å; Y217-R220 PolarHBondContact O-N 2.99Å; I218-R220 VanDerWaalsContact C-N 3.3Å; I218-R220 PolarHBondContact O-N 3.43Å; R220-Y223 PolarHBondContact O-N 3.48Å; R220-A224 WeakPolarHBondContact O-CB 3.19Å; R220-A224 PolarHBondContact O-N 3.43Å |
| 221 | F | 86.8 | Confident | 85.4 | Confident | 137 Ų | 137 | 110.6 Ų | 110.6 | 60% | 0.601 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.8 | -44 | 176.2 | -176.2 | -108.2 | 0 | 0 | 0 | 110.9 | Y217 I218 Y223 A224 N225 | Y217-F221 VanDerWaalsContact O-CB 3.28Å; Y217-F221 WeakPolarHBondContact O-CB 3.49Å; Y217-F221 PolarHBondContact O-N 3.02Å; I218-F221 PolarHBondContact O-N 2.81Å; F221-Y223 PolarHBondContact O-N 2.82Å; F221-A224 PolarHBondContact O-N 2.89Å; F221-N225 WeakPolarHBondContact CD1-ND2 3.49Å; F221-N225 WeakPolarHBondContact CE1-ND2 3.04Å; F221-N225 WeakPolarHBondContact CZ-ND2 3.28Å; F221-N225 WeakPolarHBondContact O-CB 3.29Å; F221-N225 PolarHBondContact O-N 2.84Å; F221-N225 PolarHBondContact O-ND2 3.45Å |
| 222 | R | 85.1 | Confident | 85 | Confident | 183 Ų | 183 | 115.4 Ų | 115.4 | 69% | 0.691 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62 | -42.7 | 174.6 | -71.4 | -176.6 | 70.1 | 173.8 | 1.8 | 111.9 | I218 Q219 A226 | I218-R222 HydrophobicContact CG2-CG 4.42Å; I218-R222 WeakPolarHBondContact O-CB 3.42Å; I218-R222 VanDerWaalsContact O-CG 3.28Å; I218-R222 WeakPolarHBondContact O-CG 3.49Å; I218-R222 PolarHBondContact O-N 2.98Å; Q219-R222 PolarHBondContact O-N 3.02Å; R222-A226 VanDerWaalsContact O-CB 3.27Å; R222-A226 WeakPolarHBondContact O-CB 3.2Å; R222-A226 PolarHBondContact O-N 3.46Å |
| 223 | Y | 82.7 | Confident | 84.6 | Confident | 158 Ų | 158 | 115.6 Ų | 115.6 | 62% | 0.62 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.4 | -45.7 | 178.1 | -175.4 | -96.8 | 0 | 0 | 0 | 112.2 | Q219 R220 F221 N225 A226 R227 | Q219-Y223 VanDerWaalsContact O-CB 3.29Å; Q219-Y223 WeakPolarHBondContact O-CB 3.11Å; Q219-Y223 PolarHBondContact O-N 3.2Å; R220-Y223 PolarHBondContact O-N 3.48Å; F221-Y223 PolarHBondContact O-N 2.82Å; Y223-N225 PolarHBondContact O-N 3.07Å; Y223-A226 PolarHBondContact O-N 3.44Å; Y223-R227 PolarHBondContact O-N 3.4Å |
| 224 | A | 80.5 | Confident | 84.4 | Confident | 53 Ų | 53 | 112.9 Ų | 112.9 | 44% | 0.438 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.2 | -45 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | R220 F221 A226 R227 D228 | R220-A224 WeakPolarHBondContact O-CB 3.19Å; R220-A224 PolarHBondContact O-N 3.43Å; F221-A224 PolarHBondContact O-N 2.89Å; A224-A226 VanDerWaalsContact C-N 3.35Å; A224-A226 PolarHBondContact O-N 3.49Å; A224-R227 PolarHBondContact O-N 3.18Å; A224-D228 PolarHBondContact O-N 3.29Å |
| 225 | N | 82.1 | Confident | 84 | Confident | 60 Ų | 60 | 110.2 Ų | 110.2 | 32% | 0.321 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.8 | -33.8 | 177.8 | -69.1 | -9.5 | 0 | 0 | 0 | 112.6 | F221 Y223 R229 | F221-N225 WeakPolarHBondContact CD1-ND2 3.49Å; F221-N225 WeakPolarHBondContact CE1-ND2 3.04Å; F221-N225 WeakPolarHBondContact CZ-ND2 3.28Å; F221-N225 WeakPolarHBondContact O-CB 3.29Å; F221-N225 PolarHBondContact O-N 2.84Å; F221-N225 PolarHBondContact O-ND2 3.45Å; Y223-N225 PolarHBondContact O-N 3.07Å; N225-R229 VanDerWaalsContact O-CG 3.31Å; N225-R229 WeakPolarHBondContact O-CG 3.42Å; N225-R229 PolarHBondContact O-N 3.42Å; N225-R229 VanDerWaalsContact O-N 3.11Å |
| 226 | A | 82.4 | Confident | 83.7 | Confident | 58 Ų | 58 | 109.2 Ų | 109.2 | 48% | 0.479 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.8 | -42 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | R222 Y223 A224 R229 N230 | R222-A226 VanDerWaalsContact O-CB 3.27Å; R222-A226 WeakPolarHBondContact O-CB 3.2Å; R222-A226 PolarHBondContact O-N 3.46Å; Y223-A226 PolarHBondContact O-N 3.44Å; A224-A226 VanDerWaalsContact C-N 3.35Å; A224-A226 PolarHBondContact O-N 3.49Å; A226-R229 PolarHBondContact O-N 2.95Å; A226-N230 PolarHBondContact O-N 3.36Å |
| 227 | R | 81 | Confident | 83.3 | Confident | 137 Ų | 137 | 105.8 Ų | 105.8 | 52% | 0.517 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64 | -46.4 | 176.4 | -172.2 | 175 | 176.7 | 111.7 | -7.7 | 111.9 | Y223 A224 R229 N230 Q231 E323 | Y223-R227 PolarHBondContact O-N 3.4Å; A224-R227 PolarHBondContact O-N 3.18Å; R227-R229 PolarHBondContact O-N 2.89Å; R227-N230 PolarHBondContact O-N 3.49Å; R227-Q231 WeakPolarHBondContact O-CB 3.42Å; R227-Q231 PolarHBondContact O-N 3.06Å; R227-E323 IonicContact NH2-OE1 3.1Å; R227-E323 PolarHBondContact NH2-OE1 3.37Å |
| 228 | D | 81.5 | Confident | 83.1 | Confident | 62 Ų | 62 | 99.7 Ų | 99.7 | 33% | 0.332 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 178 | 178.4 | 46.2 | 0 | 0 | 0 | 111.7 | A224 N230 Q231 R232 | A224-D228 PolarHBondContact O-N 3.29Å; D228-N230 PolarHBondContact O-N 3.34Å; D228-Q231 PolarHBondContact O-N 3.41Å; D228-R232 WeakPolarHBondContact O-CG 3.41Å; D228-R232 PolarHBondContact O-N 3.37Å; D228-R232 IonicContact OD1-CZ 2.85Å; D228-R232 IonicContact OD1-NE 2.81Å; D228-R232 PolarHBondContact OD1-NE 2.88Å; D228-R232 IonicContact OD1-NH2 3.72Å; D228-R232 IonicContact OD2-CZ 2.77Å; D228-R232 IonicContact OD2-NE 3.82Å; D228-R232 PolarHBondContact OD2-NE 3.24Å; D228-R232 IonicContact OD2-NH2 3.73Å; D228-R232 PolarHBondContact OD2-NH2 2.95Å |
| 229 | R | 83 | Confident | 82.9 | Confident | 178 Ų | 178 | 101 Ų | 101 | 67% | 0.672 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -60.5 | -42.3 | 174.9 | -73.6 | 177.7 | -177.1 | -174.2 | 1.3 | 112.5 | N225 A226 R227 R233 | N225-R229 VanDerWaalsContact O-CG 3.31Å; N225-R229 WeakPolarHBondContact O-CG 3.42Å; N225-R229 PolarHBondContact O-N 3.42Å; N225-R229 VanDerWaalsContact O-N 3.11Å; A226-R229 PolarHBondContact O-N 2.95Å; R227-R229 PolarHBondContact O-N 2.89Å; R229-R233 VanDerWaalsContact O-CG 3.31Å; R229-R233 WeakPolarHBondContact O-CG 3.46Å; R229-R233 PolarHBondContact O-N 3.16Å; R229-R233 VanDerWaalsContact O-N 3.1Å |
| 230 | N | 79.2 | Confident | 83 | Confident | 88 Ų | 88 | 102.3 Ų | 102.3 | 47% | 0.471 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.9 | -40.2 | 179 | -163.8 | 42.1 | 0 | 0 | 0 | 111.8 | A226 R227 D228 R233 L234 | A226-N230 PolarHBondContact O-N 3.36Å; R227-N230 PolarHBondContact O-N 3.49Å; D228-N230 PolarHBondContact O-N 3.34Å; N230-R233 PolarHBondContact O-N 3.2Å; N230-L234 WeakPolarHBondContact O-CB 3.16Å; N230-L234 PolarHBondContact O-N 3.27Å |
| 231 | Q | 81.4 | Confident | 82.9 | Confident | 125 Ų | 125 | 97.4 Ų | 97.4 | 58% | 0.584 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -64.2 | -42 | 178.1 | -171.6 | 170.9 | -9.7 | 0 | 0 | 111.9 | R227 D228 L234 G235 | R227-Q231 WeakPolarHBondContact O-CB 3.42Å; R227-Q231 PolarHBondContact O-N 3.06Å; D228-Q231 PolarHBondContact O-N 3.41Å; Q231-L234 PolarHBondContact O-N 3.42Å; Q231-G235 PolarHBondContact O-N 2.79Å |
| 232 | R | 82.8 | Confident | 82.8 | Confident | 159 Ų | 159 | 91.2 Ų | 91.2 | 60% | 0.6 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -62.2 | -47.6 | 173.6 | -67.7 | 177.9 | -165 | -158 | 6.2 | 111.8 | D228 L234 G235 D236 | D228-R232 WeakPolarHBondContact O-CG 3.41Å; D228-R232 PolarHBondContact O-N 3.37Å; D228-R232 IonicContact OD1-CZ 2.85Å; D228-R232 IonicContact OD1-NE 2.81Å; D228-R232 PolarHBondContact OD1-NE 2.88Å; D228-R232 IonicContact OD1-NH2 3.72Å; D228-R232 IonicContact OD2-CZ 2.77Å; D228-R232 IonicContact OD2-NE 3.82Å; D228-R232 PolarHBondContact OD2-NE 3.24Å; D228-R232 IonicContact OD2-NH2 3.73Å; D228-R232 PolarHBondContact OD2-NH2 2.95Å; R232-L234 VanDerWaalsContact C-N 3.32Å; R232-L234 PolarHBondContact O-N 3.22Å; R232-G235 PolarHBondContact O-N 2.98Å; R232-D236 PolarHBondContact O-N 3.44Å |
| 233 | R | 82.5 | Confident | 82.7 | Confident | 190 Ų | 190 | 86.7 Ų | 86.7 | 72% | 0.717 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -57.2 | -43.3 | 177.4 | -75.6 | 178.1 | 176.6 | -159.8 | -1.6 | 112.5 | R229 N230 A237 | R229-R233 VanDerWaalsContact O-CG 3.31Å; R229-R233 WeakPolarHBondContact O-CG 3.46Å; R229-R233 PolarHBondContact O-N 3.16Å; R229-R233 VanDerWaalsContact O-N 3.1Å; N230-R233 PolarHBondContact O-N 3.2Å; R233-A237 PolarHBondContact O-N 3.1Å; R233-A237 VanDerWaalsContact O-N 3.1Å |
| 234 | L | 79.6 | Confident | 82.8 | Confident | 34 Ų | 34 | 86.2 Ų | 86.2 | 18% | 0.178 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -71.8 | -36.3 | 179.6 | -169.5 | 60.8 | 0 | 0 | 0 | 112.2 | N230 Q231 R232 A237 A238 R299 L309 | N230-L234 WeakPolarHBondContact O-CB 3.16Å; N230-L234 PolarHBondContact O-N 3.27Å; Q231-L234 PolarHBondContact O-N 3.42Å; R232-L234 VanDerWaalsContact C-N 3.32Å; R232-L234 PolarHBondContact O-N 3.22Å; L234-A237 PolarHBondContact O-N 2.85Å; L234-A238 WeakPolarHBondContact O-CB 3.48Å; L234-A238 PolarHBondContact O-N 2.9Å; L234-R299 VanDerWaalsContact CD2-CZ 3.44Å; L234-L309 HydrophobicContact CD1-CD1 4.49Å |
| 235 | G | 82.9 | Confident | 83 | Confident | 21 Ų | 21 | 84.3 Ų | 84.3 | 22% | 0.216 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q231 R232 A238 K239 | Q231-G235 PolarHBondContact O-N 2.79Å; R232-G235 PolarHBondContact O-N 2.98Å; G235-A238 PolarHBondContact O-N 2.9Å; G235-K239 WeakPolarHBondContact O-CG 3.34Å; G235-K239 PolarHBondContact O-N 2.82Å |
| 236 | D | 84.5 | Confident | 83.2 | Confident | 103 Ų | 103 | 87.4 Ų | 87.4 | 55% | 0.551 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -66.2 | -39.7 | 177 | -67.6 | -23 | 0 | 0 | 0 | 111.9 | R232 K239 K240 | R232-D236 PolarHBondContact O-N 3.44Å; D236-K239 PolarHBondContact O-N 2.83Å; D236-K240 WeakPolarHBondContact O-CB 3.43Å; D236-K240 PolarHBondContact O-N 2.84Å |
| 237 | A | 82.8 | Confident | 83.5 | Confident | 41 Ų | 41 | 88 Ų | 88 | 34% | 0.339 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.5 | -41.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R233 L234 K240 A241 | R233-A237 PolarHBondContact O-N 3.1Å; R233-A237 VanDerWaalsContact O-N 3.1Å; L234-A237 PolarHBondContact O-N 2.85Å; A237-K240 PolarHBondContact O-N 3.5Å; A237-A241 WeakPolarHBondContact O-CB 3.27Å; A237-A241 PolarHBondContact O-N 3Å |
| 238 | A | 83.7 | Confident | 83.7 | Confident | 0 Ų | 0 | 87 Ų | 87 | 0% | 0 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -64.1 | -46.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L234 G235 K240 A241 I242 R299 | L234-A238 WeakPolarHBondContact O-CB 3.48Å; L234-A238 PolarHBondContact O-N 2.9Å; G235-A238 PolarHBondContact O-N 2.9Å; A238-K240 VanDerWaalsContact C-N 3.32Å; A238-K240 PolarHBondContact O-N 3.23Å; A238-A241 PolarHBondContact O-N 3.33Å; A238-A241 VanDerWaalsContact O-N 3.12Å; A238-I242 WeakPolarHBondContact O-CD1 3.29Å; A238-I242 VanDerWaalsContact O-CG1 3.23Å; A238-I242 WeakPolarHBondContact O-CG1 3.29Å; A238-I242 PolarHBondContact O-N 3.07Å; A238-R299 HydrophobicContact CB-CG 4.2Å |
| 239 | K | 86.3 | Confident | 83.9 | Confident | 116 Ų | 116 | 87.5 Ų | 87.5 | 50% | 0.504 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -57.3 | -44.4 | 175.7 | -73.2 | 176 | -178.7 | 176.9 | 0 | 112 | G235 D236 A241 I242 S243 Q296 | G235-K239 WeakPolarHBondContact O-CG 3.34Å; G235-K239 PolarHBondContact O-N 2.82Å; D236-K239 PolarHBondContact O-N 2.83Å; K239-A241 VanDerWaalsContact C-N 3.33Å; K239-A241 PolarHBondContact O-N 2.92Å; K239-I242 PolarHBondContact O-N 2.91Å; K239-S243 PolarHBondContact O-N 2.94Å; K239-Q296 HydrophobicContact CG-CG 4.34Å |
| 240 | K | 85.9 | Confident | 83.9 | Confident | 142 Ų | 142 | 79.1 Ų | 79.1 | 62% | 0.617 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -66.4 | -32 | 177.2 | -170.7 | 175.9 | -176.5 | 177.4 | 0 | 113.1 | D236 A237 A238 S243 K244 | D236-K240 WeakPolarHBondContact O-CB 3.43Å; D236-K240 PolarHBondContact O-N 2.84Å; A237-K240 PolarHBondContact O-N 3.5Å; A238-K240 VanDerWaalsContact C-N 3.32Å; A238-K240 PolarHBondContact O-N 3.23Å; K240-S243 PolarHBondContact O-OG 2.8Å; K240-K244 WeakPolarHBondContact O-CG 3.48Å |
| 241 | A | 83.4 | Confident | 83.8 | Confident | 1 Ų | 1 | 82.2 Ų | 82.2 | 1% | 0.008 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -73.7 | -42.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A237 A238 K239 S243 K244 L309 L312 I314 | A237-A241 WeakPolarHBondContact O-CB 3.27Å; A237-A241 PolarHBondContact O-N 3Å; A238-A241 PolarHBondContact O-N 3.33Å; A238-A241 VanDerWaalsContact O-N 3.12Å; K239-A241 VanDerWaalsContact C-N 3.33Å; K239-A241 PolarHBondContact O-N 2.92Å; A241-S243 VanDerWaalsContact C-N 3.33Å; A241-S243 PolarHBondContact O-N 3.35Å; A241-K244 WeakPolarHBondContact O-CB 3.35Å; A241-K244 PolarHBondContact O-N 2.77Å; A241-K244 VanDerWaalsContact O-N 3.11Å; A241-L309 HydrophobicContact CB-CD2 3.31Å; A241-L312 HydrophobicContact CB-CD1 3.96Å; A241-I314 HydrophobicContact CB-CD1 3.93Å |
| 242 | I | 86 | Confident | 83.2 | Confident | 6 Ų | 6 | 85.5 Ų | 85.5 | 3% | 0.031 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.5 | -41.6 | 177.3 | -65.2 | 161.2 | 0 | 0 | 0 | 110.5 | A238 K239 K244 L245 R278 L295 Q296 I308 | A238-I242 WeakPolarHBondContact O-CD1 3.29Å; A238-I242 VanDerWaalsContact O-CG1 3.23Å; A238-I242 WeakPolarHBondContact O-CG1 3.29Å; A238-I242 PolarHBondContact O-N 3.07Å; K239-I242 PolarHBondContact O-N 2.91Å; I242-K244 PolarHBondContact O-N 2.93Å; I242-K244 VanDerWaalsContact O-N 3.12Å; I242-L245 WeakPolarHBondContact O-CB 3.41Å; I242-L245 PolarHBondContact O-N 2.87Å; I242-L245 VanDerWaalsContact O-N 3.08Å; I242-R278 PolarHBondContact O-NH1 2.89Å; I242-L295 HydrophobicContact CD1-CB 3.55Å; I242-L295 HydrophobicContact CG1-CB 3.8Å; I242-L295 HydrophobicContact CG1-CD1 4.37Å; I242-Q296 HydrophobicContact CD1-CG 3.74Å; I242-I308 HydrophobicContact CG1-CD1 3.83Å |
| 243 | S | 83.5 | Confident | 82.2 | Confident | 88 Ų | 88 | 80.8 Ų | 80.8 | 62% | 0.615 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -20.6 | 178.1 | 67.5 | 0 | 0 | 0 | 0 | 113.9 | K239 K240 A241 | K239-S243 PolarHBondContact O-N 2.94Å; K240-S243 PolarHBondContact O-OG 2.8Å; A241-S243 VanDerWaalsContact C-N 3.33Å; A241-S243 PolarHBondContact O-N 3.35Å |
| 244 | K | 83.9 | Confident | 81.7 | Confident | 149 Ų | 149 | 73 Ų | 73 | 65% | 0.648 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -10.7 | 177.5 | -68.6 | -180 | 176.3 | -170.3 | 0 | 114 | K240 A241 I242 | K240-K244 WeakPolarHBondContact O-CG 3.48Å; A241-K244 WeakPolarHBondContact O-CB 3.35Å; A241-K244 PolarHBondContact O-N 2.77Å; A241-K244 VanDerWaalsContact O-N 3.11Å; I242-K244 PolarHBondContact O-N 2.93Å; I242-K244 VanDerWaalsContact O-N 3.12Å |
| 245 | L | 84.9 | Confident | 80.9 | Confident | 12 Ų | 12 | 78.9 Ų | 78.9 | 6% | 0.063 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -69.9 | 146.7 | 179 | -66.7 | 175.7 | 0 | 0 | 0 | 111 | I242 V247 R278 P281 L295 I308 L312 | I242-L245 WeakPolarHBondContact O-CB 3.41Å; I242-L245 PolarHBondContact O-N 2.87Å; I242-L245 VanDerWaalsContact O-N 3.08Å; L245-V247 PolarHBondContact O-N 2.69Å; L245-R278 HydrophobicContact CB-CG 4.13Å; L245-R278 PolarHBondContact O-NH1 3.23Å; L245-P281 HydrophobicContact CD2-CG 3.74Å; L245-L295 HydrophobicContact CD1-CD1 3.96Å; L245-I308 HydrophobicContact CD1-CD1 4.09Å; L245-L312 HydrophobicContact CD2-CD1 4.04Å; L245-L312 HydrophobicContact CD2-CD2 4.32Å |
| 246 | Q | 85.9 | Confident | 80 | Confident | 126 Ų | 126 | 80.7 Ų | 80.7 | 59% | 0.589 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 128.1 | -178.2 | -174.9 | 177.2 | 13.7 | 0 | 0 | 110.8 | R278 I279 | Q246-R278 WeakPolarHBondContact O-CA 3.37Å; Q246-I279 HydrophobicContact CB-CB 4.35Å; Q246-I279 HydrophobicContact CG-CD1 4.4Å; Q246-I279 PolarHBondContact O-N 2.83Å |
| 247 | V | 89.2 | Confident | 78.8 | Confident | 70 Ų | 70 | 77.4 Ų | 77.4 | 42% | 0.424 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 132.7 | 173.6 | 179.1 | 0 | 0 | 0 | 0 | 108 | L245 V276 V277 | L245-V247 PolarHBondContact O-N 2.69Å; V247-V276 HydrophobicContact CG1-CG1 3.41Å; V247-V276 VanDerWaalsContact CG1-CG1 3.41Å; V247-V277 WeakPolarHBondContact CA-O 3.12Å |
| 248 | R | 85.1 | Confident | 77.9 | Confident | 117 Ų | 117 | 80.5 Ų | 80.5 | 44% | 0.442 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 139.7 | 177.9 | -179.8 | 177.4 | 174.4 | 150.7 | -1.1 | 108.9 | D254 V277 I279 | R248-D254 IonicContact CZ-OD1 3.07Å; R248-D254 IonicContact CZ-OD2 3.29Å; R248-D254 IonicContact NE-OD2 3.15Å; R248-D254 VanDerWaalsContact NH2-CG 3.26Å; R248-D254 IonicContact NH2-OD1 3.52Å; R248-D254 PolarHBondContact NH2-OD1 2.77Å; R248-D254 IonicContact NH2-OD2 2.73Å; R248-D254 PolarHBondContact NH2-OD2 3.19Å; R248-D254 VanDerWaalsContact NH2-OD2 3.16Å; R248-V277 HydrophobicContact CB-CG2 4.23Å; R248-V277 PolarHBondContact N-O 2.88Å; R248-V277 VanDerWaalsContact O-CG2 3.29Å; R248-V277 WeakPolarHBondContact O-CG2 3.26Å; R248-V277 PolarHBondContact O-N 3.04Å; R248-I279 HydrophobicContact CB-CD1 4.48Å |
| 249 | T | 85.9 | Confident | 76.7 | Confident | 72 Ų | 72 | 86.1 Ų | 86.1 | 44% | 0.442 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 123.9 | 167.4 | -53.2 | 0 | 0 | 0 | 0 | 108.1 | D275 | T249-D275 WeakPolarHBondContact CA-O 3.34Å |
| 250 | L | 82.1 | Confident | 75.4 | Confident | 2 Ų | 2 | 88.1 Ų | 88.1 | 1% | 0.01 | 45% | 0.449 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 131.6 | 179.5 | -63.4 | 179.4 | 0 | 0 | 0 | 109.9 | D254 E256 T257 Y271 N274 D275 V277 | L250-D254 WeakPolarHBondContact CA-OD2 3.49Å; L250-D254 HydrophobicContact CD2-CB 4.45Å; L250-E256 HydrophobicContact CD1-CB 4.28Å; L250-E256 HydrophobicContact CD2-CB 4.12Å; L250-E256 HydrophobicContact CD2-CG 4.25Å; L250-T257 HydrophobicContact CB-CG2 4.22Å; L250-T257 HydrophobicContact CD1-CG2 4.26Å; L250-Y271 HydrophobicContact CD1-CD1 4Å; L250-Y271 HydrophobicContact CD1-CG 3.81Å; L250-N274 WeakPolarHBondContact O-CA 3.17Å; L250-N274 PolarHBondContact O-N 3.36Å; L250-D275 HydrophobicContact CD1-CB 4.31Å; L250-D275 PolarHBondContact N-O 3.01Å; L250-V277 HydrophobicContact CD1-CG1 3.82Å; L250-V277 HydrophobicContact CD1-CG2 4.49Å; L250-V277 HydrophobicContact CD2-CG2 3.9Å; L250-V277 HydrophobicContact CG-CG1 4.09Å; L250-V277 HydrophobicContact CG-CG2 3.99Å |
| 251 | K | 77.8 | Confident | 74.4 | Confident | 152 Ų | 152 | 85.4 Ų | 85.4 | 66% | 0.661 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -98.9 | 155.6 | 173.2 | -67.5 | -176.2 | 179.7 | -178.9 | 0 | 109.8 | G253 D254 | K251-G253 PolarHBondContact O-N 3.45Å; K251-G253 VanDerWaalsContact O-N 3.12Å; K251-D254 PolarHBondContact N-OD2 3.37Å; K251-D254 WeakPolarHBondContact O-CB 3.42Å; K251-D254 PolarHBondContact O-N 2.65Å |
| 252 | K | 68.4 | Low | 73.7 | Confident | 194 Ų | 194 | 91.1 Ų | 91.1 | 84% | 0.843 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 114.2 | 175.3 | -169.4 | 177 | -178.3 | -179.7 | 0 | 109.3 | P273 | K252-P273 HydrophobicContact CB-CB 4.09Š|
| 253 | G | 62.6 | Low | 73.6 | Confident | 60 Ų | 60 | 94.2 Ų | 94.2 | 62% | 0.619 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.3 | 8.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | K251 | K251-G253 PolarHBondContact O-N 3.45Å; K251-G253 VanDerWaalsContact O-N 3.12Å |
| 254 | D | 70.4 | Confident | 73.9 | Confident | 27 Ų | 27 | 90 Ų | 90 | 14% | 0.144 | 46% | 0.455 | C | S | . | . | trans | -70.1 | 146 | 166.2 | -81.9 | -23.4 | 0 | 0 | 0 | 109.9 | R248 L250 K251 E256 T257 | R248-D254 IonicContact CZ-OD1 3.07Å; R248-D254 IonicContact CZ-OD2 3.29Å; R248-D254 IonicContact NE-OD2 3.15Å; R248-D254 VanDerWaalsContact NH2-CG 3.26Å; R248-D254 IonicContact NH2-OD1 3.52Å; R248-D254 PolarHBondContact NH2-OD1 2.77Å; R248-D254 IonicContact NH2-OD2 2.73Å; R248-D254 PolarHBondContact NH2-OD2 3.19Å; R248-D254 VanDerWaalsContact NH2-OD2 3.16Å; L250-D254 WeakPolarHBondContact CA-OD2 3.49Å; L250-D254 HydrophobicContact CD2-CB 4.45Å; K251-D254 PolarHBondContact N-OD2 3.37Å; K251-D254 WeakPolarHBondContact O-CB 3.42Å; K251-D254 PolarHBondContact O-N 2.65Å; D254-E256 PolarHBondContact O-N 3.09Å; D254-E256 VanDerWaalsContact O-N 3.09Å; D254-T257 PolarHBondContact N-OG1 3.2Å; D254-T257 PolarHBondContact O-N 3.3Å; D254-T257 PolarHBondContact O-OG1 3.04Å | ||
| 255 | K | 64.6 | Low | 74 | Confident | 158 Ų | 158 | 85.4 Ų | 85.4 | 69% | 0.687 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -48.3 | -42.4 | -179.3 | -69 | -173.7 | 177.9 | -174.1 | 0 | 112.3 | T257 E258 F261 | K255-T257 PolarHBondContact O-N 2.04Å; K255-T257 VanDerWaalsContact O-N 3.15Å; K255-E258 PolarHBondContact O-N 2.85Å; K255-F261 HydrophobicContact CB-CD1 4.4Å; K255-F261 HydrophobicContact CB-CE1 3.76Å; K255-F261 HydrophobicContact CB-CE2 4.45Å; K255-F261 HydrophobicContact CB-CZ 3.77Å; K255-F261 HydrophobicContact CG-CZ 4.38Å; K255-F261 WeakPolarHBondContact O-CD1 3Å; K255-F261 WeakPolarHBondContact O-CD2 3.04Å; K255-F261 WeakPolarHBondContact O-CE2 3.28Å; K255-F261 WeakPolarHBondContact O-CG 3.34Å |
| 256 | E | 62.7 | Low | 74.1 | Confident | 59 Ų | 59 | 87.6 Ų | 87.6 | 28% | 0.276 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -68.2 | -9.1 | -179.4 | -47.8 | -63.3 | 152.5 | 0 | 0 | 115.1 | L250 D254 Y271 | L250-E256 HydrophobicContact CD1-CB 4.28Å; L250-E256 HydrophobicContact CD2-CB 4.12Å; L250-E256 HydrophobicContact CD2-CG 4.25Å; D254-E256 PolarHBondContact O-N 3.09Å; D254-E256 VanDerWaalsContact O-N 3.09Å; E256-Y271 HydrophobicContact CB-CD2 4.22Å; E256-Y271 WeakPolarHBondContact O-CB 3.38Å |
| 257 | T | 60.4 | Low | 74.3 | Confident | 33 Ų | 33 | 83.6 Ų | 83.6 | 20% | 0.202 | 44% | 0.444 | C | S | . | . | G | 310 helix | trans | -99.1 | -2 | 180 | 47.9 | 0 | 0 | 0 | 0 | 114.2 | L250 D254 K255 | L250-T257 HydrophobicContact CB-CG2 4.22Å; L250-T257 HydrophobicContact CD1-CG2 4.26Å; D254-T257 PolarHBondContact N-OG1 3.2Å; D254-T257 PolarHBondContact O-N 3.3Å; D254-T257 PolarHBondContact O-OG1 3.04Å; K255-T257 PolarHBondContact O-N 2.04Å; K255-T257 VanDerWaalsContact O-N 3.15Å |
| 258 | E | 62.1 | Low | 74.2 | Confident | 106 Ų | 106 | 86.4 Ų | 86.4 | 50% | 0.495 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -80.4 | 146.9 | 172.7 | -66.1 | -64.7 | 148.1 | 0 | 0 | 110.2 | K255 D260 F261 | K255-E258 PolarHBondContact O-N 2.85Å; E258-D260 PolarHBondContact O-N 2.91Å; E258-F261 HydrophobicContact CB-CD2 3.69Å; E258-F261 HydrophobicContact CB-CE2 3.93Å; E258-F261 HydrophobicContact CG-CE2 4.46Å; E258-F261 PolarHBondContact O-N 2.91Å |
| 259 | P | 59 | Low | 74.3 | Confident | 118 Ų | 118 | 86.1 Ų | 86.1 | 77% | 0.766 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -11 | -173.3 | 26.7 | -35.1 | 0 | 0 | 0 | 114.9 | ||
| 260 | D | 59.4 | Low | 74.2 | Confident | 158 Ų | 158 | 86.3 Ų | 86.3 | 85% | 0.845 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | 3 | 179.4 | -71.5 | -18.8 | 0 | 0 | 0 | 113.8 | E258 | E258-D260 PolarHBondContact O-N 2.91Š|
| 261 | F | 64.1 | Low | 74.3 | Confident | 86 Ų | 86 | 87 Ų | 87 | 38% | 0.377 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -102.7 | 159.9 | -176.9 | -76.6 | -100.3 | 0 | 0 | 0 | 113.8 | K255 E258 N263 | K255-F261 HydrophobicContact CB-CD1 4.4Å; K255-F261 HydrophobicContact CB-CE1 3.76Å; K255-F261 HydrophobicContact CB-CE2 4.45Å; K255-F261 HydrophobicContact CB-CZ 3.77Å; K255-F261 HydrophobicContact CG-CZ 4.38Å; K255-F261 WeakPolarHBondContact O-CD1 3Å; K255-F261 WeakPolarHBondContact O-CD2 3.04Å; K255-F261 WeakPolarHBondContact O-CE2 3.28Å; K255-F261 WeakPolarHBondContact O-CG 3.34Å; E258-F261 HydrophobicContact CB-CD2 3.69Å; E258-F261 HydrophobicContact CB-CE2 3.93Å; E258-F261 HydrophobicContact CG-CE2 4.46Å; E258-F261 PolarHBondContact O-N 2.91Å; F261-N263 PolarHBondContact O-N 2.87Å |
| 262 | D | 69.3 | Low | 74.6 | Confident | 121 Ų | 121 | 85.5 Ų | 85.5 | 65% | 0.647 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -56 | 131.5 | -172.3 | -69.6 | -31.8 | 0 | 0 | 0 | 112.8 | Y271 | D262-Y271 VanDerWaalsContact O-CD2 3.24Å; D262-Y271 WeakPolarHBondContact O-CD2 3.32Å; D262-Y271 WeakPolarHBondContact O-CE2 3.35Å |
| 263 | N | 85.3 | Confident | 75.1 | Confident | 70 Ų | 70 | 79.3 Ų | 79.3 | 37% | 0.374 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 158.6 | 169.7 | -66 | 51.7 | 0 | 0 | 0 | 111.1 | F261 A265 I268 C270 | F261-N263 PolarHBondContact O-N 2.87Å; N263-A265 PolarHBondContact O-N 3.46Å; N263-I268 PolarHBondContact ND2-O 2.86Å; N263-C270 PolarHBondContact ND2-N 2.96Å; N263-C270 PolarHBondContact ND2-SG 2.82Å |
| 264 | C | 88.1 | Confident | 76.1 | Confident | 0 Ų | 0 | 82.4 Ų | 82.4 | 0% | 0 | 44% | 0.441 | C | S | . | . | trans | -64 | 110.8 | 170.4 | 177.8 | 0 | 0 | 0 | 0 | 110 | V266 C267 I268 E269 Y271 H287 | C264-V266 PolarHBondContact O-N 3.39Å; C264-C267 VanDerWaalsContact CB-SG 3.53Å; C264-C267 PolarHBondContact O-N 2.86Å; C264-I268 WeakPolarHBondContact O-CA 3.36Å; C264-I268 PolarHBondContact O-N 3.05Å; C264-E269 PolarHBondContact N-O 3.34Å; C264-Y271 WeakPolarHBondContact CA-OH 3.44Å; C264-Y271 HydrophobicContact CB-CE1 3.91Å; C264-H287 VanDerWaalsContact CB-ND1 3.35Å; C264-H287 WeakPolarHBondContact CB-ND1 3.21Å; C264-H287 PolarHBondContact SG-ND1 2.84Å; C264-H287 VanDerWaalsContact SG-ND1 3.39Å | ||
| 265 | A | 86.9 | Confident | 76.9 | Confident | 53 Ų | 53 | 82.9 Ų | 82.9 | 44% | 0.438 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -3.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | N263 F286 M303 | N263-A265 PolarHBondContact O-N 3.46Å; A265-F286 HydrophobicContact CB-CE1 4.08Å; A265-M303 HydrophobicContact CB-CG 4.08Å; A265-M303 HydrophobicContact CB-SD 3.81Å |
| 266 | V | 87.6 | Confident | 78 | Confident | 58 Ų | 58 | 78.3 Ų | 78.3 | 35% | 0.352 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -45.1 | 176.7 | -179.1 | 0 | 0 | 0 | 0 | 111.8 | C264 F286 C290 P302 | C264-V266 PolarHBondContact O-N 3.39Å; V266-F286 HydrophobicContact CG2-CD1 3.9Å; V266-F286 HydrophobicContact CG2-CE1 4.31Å; V266-C290 HydrophobicContact CB-CB 3.89Å; V266-C290 HydrophobicContact CG1-CB 3.82Å; V266-P302 HydrophobicContact CG2-CB 4.4Å; V266-P302 HydrophobicContact CG2-CG 3.98Å |
| 267 | C | 88.7 | Confident | 79.3 | Confident | 41 Ų | 41 | 75.5 Ų | 75.5 | 28% | 0.277 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -9 | 178 | 61.5 | 0 | 0 | 0 | 0 | 113.8 | C264 E269 H287 | C264-C267 VanDerWaalsContact CB-SG 3.53Å; C264-C267 PolarHBondContact O-N 2.86Å; C267-E269 HydrophobicContact CB-CG 4.32Å; C267-E269 PolarHBondContact O-N 3.05Å; C267-E269 VanDerWaalsContact O-N 3.15Å; C267-H287 PolarHBondContact SG-ND1 3.25Å |
| 268 | I | 88.6 | Confident | 80.8 | Confident | 130 Ų | 130 | 74.4 Ų | 74.4 | 67% | 0.667 | 41% | 0.407 | S | S | * | . | trans | 66.1 | 7.3 | 179.9 | -45 | 171.9 | 0 | 0 | 0 | 112.7 | N263 C264 | N263-I268 PolarHBondContact ND2-O 2.86Å; C264-I268 WeakPolarHBondContact O-CA 3.36Å; C264-I268 PolarHBondContact O-N 3.05Å | ||
| 269 | E | 87 | Confident | 82.1 | Confident | 111 Ų | 111 | 71 Ų | 71 | 52% | 0.519 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -82.7 | 145.3 | 179.6 | -60.5 | -174.1 | 179 | 0 | 0 | 112.5 | C264 C267 | C264-E269 PolarHBondContact N-O 3.34Å; C267-E269 HydrophobicContact CB-CG 4.32Å; C267-E269 PolarHBondContact O-N 3.05Å; C267-E269 VanDerWaalsContact O-N 3.15Å |
| 270 | C | 84.1 | Confident | 83.6 | Confident | 76 Ų | 76 | 65.5 Ų | 65.5 | 51% | 0.514 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -67 | 145.2 | 170.2 | -60.5 | 0 | 0 | 0 | 0 | 110.5 | N263 | N263-C270 PolarHBondContact ND2-N 2.96Å; N263-C270 PolarHBondContact ND2-SG 2.82Å |
| 271 | Y | 84.2 | Confident | 84.8 | Confident | 15 Ų | 15 | 60.7 Ų | 60.7 | 6% | 0.059 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 137.3 | 177 | -66.1 | -62.1 | 0 | 0 | 0 | 112.3 | L250 E256 D262 C264 V277 V285 F286 H287 | L250-Y271 HydrophobicContact CD1-CD1 4Å; L250-Y271 HydrophobicContact CD1-CG 3.81Å; E256-Y271 HydrophobicContact CB-CD2 4.22Å; E256-Y271 WeakPolarHBondContact O-CB 3.38Å; D262-Y271 VanDerWaalsContact O-CD2 3.24Å; D262-Y271 WeakPolarHBondContact O-CD2 3.32Å; D262-Y271 WeakPolarHBondContact O-CE2 3.35Å; C264-Y271 WeakPolarHBondContact CA-OH 3.44Å; C264-Y271 HydrophobicContact CB-CE1 3.91Å; Y271-V277 HydrophobicContact CD1-CG1 3.69Å; Y271-V277 HydrophobicContact CE1-CG1 3.61Å; Y271-V285 VanDerWaalsContact OH-C 3.25Å; Y271-V285 PolarHBondContact OH-O 3.35Å; Y271-F286 WeakPolarHBondContact OH-CA 3.39Å; Y271-H287 AromaticContact CD1-CE1 3.91Å; Y271-H287 AromaticContact CD1-NE2 3.56Å; Y271-H287 AromaticContact CE1-CE1 3.95Å; Y271-H287 AromaticContact CE1-NE2 3.91Å |
| 272 | K | 82.8 | Confident | 86 | Confident | 122 Ų | 122 | 58.1 Ų | 58.1 | 53% | 0.53 | 33% | 0.326 | S | S | . | . | trans | -110.3 | 153.3 | 178.4 | -66.7 | 171.7 | -173.3 | 165.1 | 0 | 110.8 | N274 D275 | K272-N274 PolarHBondContact O-N 2.98Å; K272-D275 PolarHBondContact N-OD2 2.9Å; K272-D275 VanDerWaalsContact O-CB 3.24Å; K272-D275 WeakPolarHBondContact O-CB 3.31Å; K272-D275 PolarHBondContact O-N 3.5Å | ||
| 273 | P | 80.3 | Confident | 86.9 | Confident | 63 Ų | 63 | 62.5 Ų | 62.5 | 41% | 0.409 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 138.3 | 170.6 | 25.8 | -33.8 | 0 | 0 | 0 | 109.9 | K252 D275 | K252-P273 HydrophobicContact CB-CB 4.09Å; P273-D275 VanDerWaalsContact C-N 3.33Å |
| 274 | N | 83.1 | Confident | 87 | Confident | 126 Ų | 126 | 61.7 Ų | 61.7 | 67% | 0.674 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.6 | 4.3 | -170.8 | -52.5 | -38.6 | 0 | 0 | 0 | 116.3 | L250 K272 | L250-N274 WeakPolarHBondContact O-CA 3.17Å; L250-N274 PolarHBondContact O-N 3.36Å; K272-N274 PolarHBondContact O-N 2.98Å |
| 275 | D | 86.4 | Confident | 87.1 | Confident | 36 Ų | 36 | 63 Ų | 63 | 19% | 0.193 | 34% | 0.335 | C | S | . | . | trans | -65.6 | 137.1 | 171.6 | -79.6 | -6.1 | 0 | 0 | 0 | 111.3 | T249 L250 K272 P273 V277 H287 | T249-D275 WeakPolarHBondContact CA-O 3.34Å; L250-D275 HydrophobicContact CD1-CB 4.31Å; L250-D275 PolarHBondContact N-O 3.01Å; K272-D275 PolarHBondContact N-OD2 2.9Å; K272-D275 VanDerWaalsContact O-CB 3.24Å; K272-D275 WeakPolarHBondContact O-CB 3.31Å; K272-D275 PolarHBondContact O-N 3.5Å; P273-D275 VanDerWaalsContact C-N 3.33Å; D275-V277 HydrophobicContact CB-CG1 4.5Å; D275-H287 IonicContact OD2-CD2 3.05Å; D275-H287 IonicContact OD2-CE1 3.78Å; D275-H287 IonicContact OD2-NE2 3.73Å; D275-H287 PolarHBondContact OD2-NE2 3.11Å | ||
| 276 | V | 88.4 | Confident | 87.3 | Confident | 62 Ų | 62 | 60.5 Ų | 60.5 | 38% | 0.376 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 106.1 | 174.9 | -176.6 | 0 | 0 | 0 | 0 | 108.6 | V247 K288 | V247-V276 HydrophobicContact CG1-CG1 3.41Å; V247-V276 VanDerWaalsContact CG1-CG1 3.41Å; V276-K288 HydrophobicContact CG1-CB 4.03Å; V276-K288 HydrophobicContact CG1-CD 3.98Å; V276-K288 WeakPolarHBondContact O-CB 3Å; V276-K288 PolarHBondContact O-N 2.76Å |
| 277 | V | 90.1 | Very high | 87.5 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.006 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 149.2 | 179.7 | -61 | 0 | 0 | 0 | 0 | 111.4 | V247 R248 L250 Y271 D275 V285 F286 | V247-V277 WeakPolarHBondContact CA-O 3.12Å; R248-V277 HydrophobicContact CB-CG2 4.23Å; R248-V277 PolarHBondContact N-O 2.88Å; R248-V277 VanDerWaalsContact O-CG2 3.29Å; R248-V277 WeakPolarHBondContact O-CG2 3.26Å; R248-V277 PolarHBondContact O-N 3.04Å; L250-V277 HydrophobicContact CD1-CG1 3.82Å; L250-V277 HydrophobicContact CD1-CG2 4.49Å; L250-V277 HydrophobicContact CD2-CG2 3.9Å; L250-V277 HydrophobicContact CG-CG1 4.09Å; L250-V277 HydrophobicContact CG-CG2 3.99Å; Y271-V277 HydrophobicContact CD1-CG1 3.69Å; Y271-V277 HydrophobicContact CE1-CG1 3.61Å; D275-V277 HydrophobicContact CB-CG1 4.5Å; V277-V285 HydrophobicContact CB-CG1 3.64Å; V277-V285 HydrophobicContact CG1-CG1 4.13Å; V277-V285 HydrophobicContact CG2-CG1 3.77Å; V277-F286 CarbonylContact C-O 3.46Å; V277-F286 WeakPolarHBondContact CA-O 3.26Å; V277-F286 WeakPolarHBondContact CB-O 3.37Å |
| 278 | R | 90.6 | Very high | 87.6 | Confident | 9 Ų | 9 | 61.1 Ų | 61.1 | 3% | 0.034 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 133.1 | 173.6 | -174.5 | 178.2 | -63.2 | -90.7 | 19.8 | 109.2 | I242 L245 Q246 L280 F286 V291 D292 | I242-R278 PolarHBondContact O-NH1 2.89Å; L245-R278 HydrophobicContact CB-CG 4.13Å; L245-R278 PolarHBondContact O-NH1 3.23Å; Q246-R278 WeakPolarHBondContact O-CA 3.37Å; R278-L280 HydrophobicContact CG-CD1 4.49Å; R278-F286 PolarHBondContact N-O 2.95Å; R278-F286 PolarHBondContact O-N 2.81Å; R278-F286 VanDerWaalsContact O-N 3.08Å; R278-V291 HydrophobicContact CB-CG1 3.93Å; R278-V291 HydrophobicContact CG-CG1 4.36Å; R278-D292 IonicContact CZ-OD1 2.82Å; R278-D292 IonicContact CZ-OD2 3.78Å; R278-D292 IonicContact NE-OD1 3.57Å; R278-D292 PolarHBondContact NE-OD1 2.73Å; R278-D292 IonicContact NE-OD2 3.16Å; R278-D292 VanDerWaalsContact NH2-CG 3.3Å; R278-D292 IonicContact NH2-OD1 2.96Å; R278-D292 PolarHBondContact NH2-OD1 3.49Å; R278-D292 IonicContact NH2-OD2 3.68Å; R278-D292 PolarHBondContact NH2-OD2 3.02Å |
| 279 | I | 89.6 | Confident | 87.7 | Confident | 34 Ų | 34 | 62.6 Ų | 62.6 | 17% | 0.174 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 120.5 | 178.7 | -50.1 | 177.7 | 0 | 0 | 0 | 107.7 | Q246 R248 V285 | Q246-I279 HydrophobicContact CB-CB 4.35Å; Q246-I279 HydrophobicContact CG-CD1 4.4Å; Q246-I279 PolarHBondContact O-N 2.83Å; R248-I279 HydrophobicContact CB-CD1 4.48Å; I279-V285 HydrophobicContact CG1-CG2 4.26Å |
| 280 | L | 90 | Very high | 87.8 | Confident | 4 Ų | 4 | 58.7 Ų | 58.7 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | trans | -80 | 164.4 | 177.5 | -85 | 66.3 | 0 | 0 | 0 | 110.9 | R278 C282 R283 H284 F286 V291 L295 C301 I308 | R278-L280 HydrophobicContact CG-CD1 4.49Å; L280-C282 PolarHBondContact O-N 3.04Å; L280-C282 VanDerWaalsContact O-N 3.12Å; L280-R283 WeakPolarHBondContact O-CA 3.5Å; L280-R283 PolarHBondContact O-N 3.25Å; L280-H284 PolarHBondContact N-O 3Å; L280-F286 HydrophobicContact CD1-CD2 3.77Å; L280-F286 HydrophobicContact CD1-CE2 4Å; L280-F286 HydrophobicContact CD2-CE2 4.19Å; L280-V291 HydrophobicContact CD1-CG2 4.22Å; L280-L295 HydrophobicContact CD1-CD1 4.29Å; L280-L295 HydrophobicContact CD2-CD2 4.15Å; L280-L295 HydrophobicContact CG-CD1 4.48Å; L280-C301 HydrophobicContact CD2-CB 3.7Å; L280-I308 HydrophobicContact CD2-CG2 3.94Å; L280-I308 HydrophobicContact CG-CG2 4.19Å | ||
| 281 | P | 86.4 | Confident | 88.2 | Confident | 57 Ų | 57 | 55.1 Ų | 55.1 | 37% | 0.37 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -21.8 | 177.7 | -23.1 | 35.8 | 0 | 0 | 0 | 114 | L245 R283 A311 L312 | L245-P281 HydrophobicContact CD2-CG 3.74Å; P281-R283 PolarHBondContact O-N 2.79Å; P281-A311 HydrophobicContact CB-CB 3.7Å; P281-A311 HydrophobicContact CG-CB 4.05Å; P281-L312 HydrophobicContact CG-CD2 4.33Å; P281-L312 HydrophobicContact CG-CG 4.33Å |
| 282 | C | 88.1 | Confident | 88.4 | Confident | 31 Ų | 31 | 55.7 Ų | 55.7 | 21% | 0.209 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 4.1 | 172.3 | 57.5 | 0 | 0 | 0 | 0 | 114 | L280 H284 C301 I306 | L280-C282 PolarHBondContact O-N 3.04Å; L280-C282 VanDerWaalsContact O-N 3.12Å; C282-H284 VanDerWaalsContact C-N 3.28Å; C282-H284 PolarHBondContact O-N 2.98Å; C282-H284 PolarHBondContact SG-ND1 2.86Å; C282-H284 VanDerWaalsContact SG-ND1 3.37Å; C282-C301 VanDerWaalsContact SG-SG 3.62Å; C282-I306 HydrophobicContact CB-CD1 3.96Å |
| 283 | R | 87.6 | Confident | 88.7 | Confident | 214 Ų | 214 | 53.4 Ų | 53.4 | 81% | 0.808 | 27% | 0.274 | S | S | * | . | trans | 71.1 | 1.6 | -178.5 | -54.9 | -170.6 | 174 | 114.5 | -1 | 117.2 | L280 P281 | L280-R283 WeakPolarHBondContact O-CA 3.5Å; L280-R283 PolarHBondContact O-N 3.25Å; P281-R283 PolarHBondContact O-N 2.79Å | ||
| 284 | H | 89.2 | Confident | 89.2 | Confident | 52 Ų | 52 | 55 Ų | 55 | 24% | 0.241 | 27% | 0.272 | C | S | . | . | trans | -68.3 | 139.1 | 170 | -62.6 | 125.7 | 0 | 0 | 0 | 111.9 | L280 C282 F286 C301 M303 C304 | L280-H284 PolarHBondContact N-O 3Å; C282-H284 VanDerWaalsContact C-N 3.28Å; C282-H284 PolarHBondContact O-N 2.98Å; C282-H284 PolarHBondContact SG-ND1 2.86Å; C282-H284 VanDerWaalsContact SG-ND1 3.37Å; H284-F286 HydrophobicContact CB-CE2 3.56Å; H284-F286 HydrophobicContact CB-CZ 3.82Å; H284-C301 PolarHBondContact ND1-SG 3.34Å; H284-M303 HydrophobicContact CB-CE 4.24Å; H284-M303 WeakPolarHBondContact CD2-CE 3.39Å; H284-M303 WeakPolarHBondContact NE2-CE 3.29Å; H284-C304 VanDerWaalsContact CE1-SG 3.53Å; H284-C304 PolarHBondContact ND1-SG 2.98Å | ||
| 285 | V | 89.3 | Confident | 89.4 | Confident | 28 Ų | 28 | 49 Ų | 49 | 17% | 0.17 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 138.3 | -176.1 | -172.8 | 0 | 0 | 0 | 0 | 109 | Y271 V277 I279 | Y271-V285 VanDerWaalsContact OH-C 3.25Å; Y271-V285 PolarHBondContact OH-O 3.35Å; V277-V285 HydrophobicContact CB-CG1 3.64Å; V277-V285 HydrophobicContact CG1-CG1 4.13Å; V277-V285 HydrophobicContact CG2-CG1 3.77Å; I279-V285 HydrophobicContact CG1-CG2 4.26Å |
| 286 | F | 91.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 0% | 0.004 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 158.8 | 175.4 | -54 | -86.4 | 0 | 0 | 0 | 110 | A265 V266 Y271 V277 R278 L280 H284 K288 V291 P302 M303 | A265-F286 HydrophobicContact CB-CE1 4.08Å; V266-F286 HydrophobicContact CG2-CD1 3.9Å; V266-F286 HydrophobicContact CG2-CE1 4.31Å; Y271-F286 WeakPolarHBondContact OH-CA 3.39Å; V277-F286 CarbonylContact C-O 3.46Å; V277-F286 WeakPolarHBondContact CA-O 3.26Å; V277-F286 WeakPolarHBondContact CB-O 3.37Å; R278-F286 PolarHBondContact N-O 2.95Å; R278-F286 PolarHBondContact O-N 2.81Å; R278-F286 VanDerWaalsContact O-N 3.08Å; L280-F286 HydrophobicContact CD1-CD2 3.77Å; L280-F286 HydrophobicContact CD1-CE2 4Å; L280-F286 HydrophobicContact CD2-CE2 4.19Å; H284-F286 HydrophobicContact CB-CE2 3.56Å; H284-F286 HydrophobicContact CB-CZ 3.82Å; F286-K288 PolarHBondContact O-N 3.31Å; F286-V291 HydrophobicContact CB-CB 3.66Å; F286-V291 HydrophobicContact CB-CG1 4.06Å; F286-V291 HydrophobicContact CB-CG2 4.01Å; F286-V291 HydrophobicContact CD2-CB 4.27Å; F286-V291 HydrophobicContact CD2-CG2 3.68Å; F286-V291 HydrophobicContact CE2-CG2 4.29Å; F286-V291 HydrophobicContact CG-CB 4.07Å; F286-V291 HydrophobicContact CG-CG2 3.85Å; F286-P302 HydrophobicContact CE1-CB 4.23Å; F286-P302 HydrophobicContact CE1-CG 4.08Å; F286-P302 HydrophobicContact CZ-CB 4.27Å; F286-P302 HydrophobicContact CZ-CG 4.01Å; F286-M303 HydrophobicContact CE1-CG 4.05Å; F286-M303 HydrophobicContact CZ-CG 3.86Å |
| 287 | H | 92.4 | Very high | 89.1 | Confident | 21 Ų | 21 | 53.7 Ų | 53.7 | 10% | 0.097 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 135.8 | 166.1 | -63 | 111.9 | 0 | 0 | 0 | 110.6 | C264 C267 Y271 D275 H289 C290 V291 | C264-H287 VanDerWaalsContact CB-ND1 3.35Å; C264-H287 WeakPolarHBondContact CB-ND1 3.21Å; C264-H287 PolarHBondContact SG-ND1 2.84Å; C264-H287 VanDerWaalsContact SG-ND1 3.39Å; C267-H287 PolarHBondContact SG-ND1 3.25Å; Y271-H287 AromaticContact CD1-CE1 3.91Å; Y271-H287 AromaticContact CD1-NE2 3.56Å; Y271-H287 AromaticContact CE1-CE1 3.95Å; Y271-H287 AromaticContact CE1-NE2 3.91Å; D275-H287 IonicContact OD2-CD2 3.05Å; D275-H287 IonicContact OD2-CE1 3.78Å; D275-H287 IonicContact OD2-NE2 3.73Å; D275-H287 PolarHBondContact OD2-NE2 3.11Å; H287-H289 VanDerWaalsContact C-N 3.28Å; H287-H289 PolarHBondContact O-N 2.81Å; H287-C290 HydrophobicContact CB-CB 4.04Å; H287-C290 PolarHBondContact O-N 3.25Å; H287-V291 PolarHBondContact O-N 3.02Å |
| 288 | K | 90.3 | Very high | 88.8 | Confident | 90 Ų | 90 | 57.8 Ų | 57.8 | 39% | 0.391 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -54.2 | -45.4 | 179.9 | -178.9 | -168.6 | 171.7 | -151.6 | 0 | 111.6 | V276 F286 C290 D292 | V276-K288 HydrophobicContact CG1-CB 4.03Å; V276-K288 HydrophobicContact CG1-CD 3.98Å; V276-K288 WeakPolarHBondContact O-CB 3Å; V276-K288 PolarHBondContact O-N 2.76Å; F286-K288 PolarHBondContact O-N 3.31Å; K288-C290 VanDerWaalsContact C-N 3.29Å; K288-C290 PolarHBondContact O-N 3.47Å; K288-D292 WeakPolarHBondContact CE-OD2 3.5Å; K288-D292 WeakPolarHBondContact CG-OD2 3.31Å; K288-D292 VanDerWaalsContact O-CB 3.25Å; K288-D292 WeakPolarHBondContact O-CB 3.34Å; K288-D292 PolarHBondContact O-N 3.26Å; K288-D292 VanDerWaalsContact O-N 3.09Å |
| 289 | H | 90.5 | Very high | 88.7 | Confident | 161 Ų | 161 | 59.7 Ų | 59.7 | 75% | 0.745 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -67.5 | -28.7 | -179.3 | -172.7 | 64 | 0 | 0 | 0 | 113.1 | H287 P293 | H287-H289 VanDerWaalsContact C-N 3.28Å; H287-H289 PolarHBondContact O-N 2.81Å; H289-P293 WeakPolarHBondContact O-CD 3.4Å; H289-P293 WeakPolarHBondContact O-CG 3.3Å |
| 290 | C | 89.5 | Confident | 88.7 | Confident | 30 Ų | 30 | 59.7 Ų | 59.7 | 20% | 0.203 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -78.8 | -41.4 | 179.9 | -65.5 | 0 | 0 | 0 | 0 | 112 | V266 H287 K288 | V266-C290 HydrophobicContact CB-CB 3.89Å; V266-C290 HydrophobicContact CG1-CB 3.82Å; H287-C290 HydrophobicContact CB-CB 4.04Å; H287-C290 PolarHBondContact O-N 3.25Å; K288-C290 VanDerWaalsContact C-N 3.29Å; K288-C290 PolarHBondContact O-N 3.47Å |
| 291 | V | 91.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -89.3 | -24.1 | -172.8 | 82 | 0 | 0 | 0 | 0 | 113.6 | R278 L280 F286 H287 W294 L295 P302 | R278-V291 HydrophobicContact CB-CG1 3.93Å; R278-V291 HydrophobicContact CG-CG1 4.36Å; L280-V291 HydrophobicContact CD1-CG2 4.22Å; F286-V291 HydrophobicContact CB-CB 3.66Å; F286-V291 HydrophobicContact CB-CG1 4.06Å; F286-V291 HydrophobicContact CB-CG2 4.01Å; F286-V291 HydrophobicContact CD2-CB 4.27Å; F286-V291 HydrophobicContact CD2-CG2 3.68Å; F286-V291 HydrophobicContact CE2-CG2 4.29Å; F286-V291 HydrophobicContact CG-CB 4.07Å; F286-V291 HydrophobicContact CG-CG2 3.85Å; H287-V291 PolarHBondContact O-N 3.02Å; V291-W294 WeakPolarHBondContact O-CB 3.34Å; V291-W294 PolarHBondContact O-N 3.2Å; V291-L295 HydrophobicContact CG1-CD1 4.21Å; V291-L295 HydrophobicContact CG2-CD1 4.02Å; V291-L295 HydrophobicContact CG2-CG 4.07Å; V291-L295 WeakPolarHBondContact O-CB 3.27Å; V291-L295 VanDerWaalsContact O-CG 3.3Å; V291-L295 WeakPolarHBondContact O-CG 3.39Å; V291-L295 PolarHBondContact O-N 3.45Å; V291-P302 HydrophobicContact CG2-CG 4.34Å |
| 292 | D | 89.9 | Confident | 88.9 | Confident | 27 Ų | 27 | 58.6 Ų | 58.6 | 14% | 0.144 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.9 | -42.9 | -178.7 | -77.4 | 2 | 0 | 0 | 0 | 113.9 | R278 K288 Q296 | R278-D292 IonicContact CZ-OD1 2.82Å; R278-D292 IonicContact CZ-OD2 3.78Å; R278-D292 IonicContact NE-OD1 3.57Å; R278-D292 PolarHBondContact NE-OD1 2.73Å; R278-D292 IonicContact NE-OD2 3.16Å; R278-D292 VanDerWaalsContact NH2-CG 3.3Å; R278-D292 IonicContact NH2-OD1 2.96Å; R278-D292 PolarHBondContact NH2-OD1 3.49Å; R278-D292 IonicContact NH2-OD2 3.68Å; R278-D292 PolarHBondContact NH2-OD2 3.02Å; K288-D292 WeakPolarHBondContact CE-OD2 3.5Å; K288-D292 WeakPolarHBondContact CG-OD2 3.31Å; K288-D292 VanDerWaalsContact O-CB 3.25Å; K288-D292 WeakPolarHBondContact O-CB 3.34Å; K288-D292 PolarHBondContact O-N 3.26Å; K288-D292 VanDerWaalsContact O-N 3.09Å; D292-Q296 WeakPolarHBondContact O-CG 3.26Å; D292-Q296 PolarHBondContact O-N 3.28Å; D292-Q296 PolarHBondContact O-NE2 3.48Å |
| 293 | P | 89.4 | Confident | 88.8 | Confident | 74 Ų | 74 | 61.5 Ų | 61.5 | 48% | 0.481 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 173.2 | -22.4 | 34.3 | 0 | 0 | 0 | 112.2 | H289 L295 Q296 D297 | H289-P293 WeakPolarHBondContact O-CD 3.4Å; H289-P293 WeakPolarHBondContact O-CG 3.3Å; P293-L295 PolarHBondContact O-N 3.25Å; P293-Q296 PolarHBondContact O-N 2.92Å; P293-D297 PolarHBondContact O-N 2.82Å |
| 294 | W | 89.3 | Confident | 88.8 | Confident | 98 Ų | 98 | 53.5 Ų | 53.5 | 37% | 0.371 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.8 | -45.4 | 178.1 | -179.7 | -83.4 | 0 | 0 | 0 | 112.3 | V291 Q296 D297 H298 T300 P302 | V291-W294 WeakPolarHBondContact O-CB 3.34Å; V291-W294 PolarHBondContact O-N 3.2Å; W294-Q296 VanDerWaalsContact C-N 3.29Å; W294-Q296 PolarHBondContact O-N 2.85Å; W294-D297 PolarHBondContact O-N 3.38Å; W294-H298 AromaticContact CD2-CD2 3.73Å; W294-H298 AromaticContact CE2-CD2 3.71Å; W294-H298 AromaticContact CE3-CD2 3.85Å; W294-H298 AromaticContact CH2-CD2 3.97Å; W294-H298 AromaticContact CZ2-CD2 3.85Å; W294-H298 AromaticContact CZ3-CD2 3.97Å; W294-H298 PolarHBondContact O-N 3.35Å; W294-T300 VanDerWaalsContact CD1-O 3.23Å; W294-T300 PolarHBondContact NE1-O 3.11Å; W294-P302 HydrophobicContact CD2-CG 4.16Å; W294-P302 HydrophobicContact CG-CG 4.02Å; W294-P302 HydrophobicContact CZ2-CB 4.48Å |
| 295 | L | 88.1 | Confident | 88.8 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70 | -24.3 | -179.1 | -69.6 | 173.6 | 0 | 0 | 0 | 113.3 | I242 L245 L280 V291 P293 R299 T300 I308 | I242-L295 HydrophobicContact CD1-CB 3.55Å; I242-L295 HydrophobicContact CG1-CB 3.8Å; I242-L295 HydrophobicContact CG1-CD1 4.37Å; L245-L295 HydrophobicContact CD1-CD1 3.96Å; L280-L295 HydrophobicContact CD1-CD1 4.29Å; L280-L295 HydrophobicContact CD2-CD2 4.15Å; L280-L295 HydrophobicContact CG-CD1 4.48Å; V291-L295 HydrophobicContact CG1-CD1 4.21Å; V291-L295 HydrophobicContact CG2-CD1 4.02Å; V291-L295 HydrophobicContact CG2-CG 4.07Å; V291-L295 WeakPolarHBondContact O-CB 3.27Å; V291-L295 VanDerWaalsContact O-CG 3.3Å; V291-L295 WeakPolarHBondContact O-CG 3.39Å; V291-L295 PolarHBondContact O-N 3.45Å; P293-L295 PolarHBondContact O-N 3.25Å; L295-R299 VanDerWaalsContact O-CA 3.32Å; L295-R299 WeakPolarHBondContact O-CA 2.98Å; L295-R299 WeakPolarHBondContact O-CG 3.31Å; L295-R299 PolarHBondContact O-N 3.35Å; L295-T300 WeakPolarHBondContact CD2-O 3.44Å; L295-I308 HydrophobicContact CB-CD1 4.25Å; L295-I308 HydrophobicContact CD1-CD1 4.27Å; L295-I308 HydrophobicContact CD2-CD1 3.95Å; L295-I308 HydrophobicContact CD2-CG1 4.24Å; L295-I308 HydrophobicContact CD2-CG2 3.87Å; L295-I308 HydrophobicContact CG-CD1 4.38Å |
| 296 | Q | 85.1 | Confident | 88.6 | Confident | 86 Ų | 86 | 61.9 Ų | 61.9 | 40% | 0.402 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -69.3 | -37.1 | 175 | -76.8 | 175.4 | 55.6 | 0 | 0 | 112.1 | K239 I242 D292 P293 W294 | K239-Q296 HydrophobicContact CG-CG 4.34Å; I242-Q296 HydrophobicContact CD1-CG 3.74Å; D292-Q296 WeakPolarHBondContact O-CG 3.26Å; D292-Q296 PolarHBondContact O-N 3.28Å; D292-Q296 PolarHBondContact O-NE2 3.48Å; P293-Q296 PolarHBondContact O-N 2.92Å; W294-Q296 VanDerWaalsContact C-N 3.29Å; W294-Q296 PolarHBondContact O-N 2.85Å |
| 297 | D | 82.9 | Confident | 88.4 | Confident | 109 Ų | 109 | 63.6 Ų | 63.6 | 58% | 0.583 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -89.1 | -53.1 | -177.8 | -160.1 | 31.7 | 0 | 0 | 0 | 111.9 | P293 W294 | P293-D297 PolarHBondContact O-N 2.82Å; W294-D297 PolarHBondContact O-N 3.38Å |
| 298 | H | 84.2 | Confident | 88.1 | Confident | 88 Ų | 88 | 62.7 Ų | 62.7 | 41% | 0.407 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -23.6 | -170.8 | -60.1 | -54.7 | 0 | 0 | 0 | 114.3 | W294 T300 | W294-H298 AromaticContact CD2-CD2 3.73Å; W294-H298 AromaticContact CE2-CD2 3.71Å; W294-H298 AromaticContact CE3-CD2 3.85Å; W294-H298 AromaticContact CH2-CD2 3.97Å; W294-H298 AromaticContact CZ2-CD2 3.85Å; W294-H298 AromaticContact CZ3-CD2 3.97Å; W294-H298 PolarHBondContact O-N 3.35Å; H298-T300 WeakPolarHBondContact O-CG2 3.12Å; H298-T300 PolarHBondContact O-N 3.25Å; H298-T300 PolarHBondContact O-OG1 3.37Å |
| 299 | R | 88.3 | Confident | 87.7 | Confident | 48 Ų | 48 | 58.6 Ų | 58.6 | 18% | 0.181 | 29% | 0.293 | C | S | . | . | trans | 56.8 | 17.6 | 179.9 | -51.1 | 157.9 | -167.1 | 132.9 | 7.2 | 113.7 | L234 A238 L295 N307 I308 L309 | L234-R299 VanDerWaalsContact CD2-CZ 3.44Å; A238-R299 HydrophobicContact CB-CG 4.2Å; L295-R299 VanDerWaalsContact O-CA 3.32Å; L295-R299 WeakPolarHBondContact O-CA 2.98Å; L295-R299 WeakPolarHBondContact O-CG 3.31Å; L295-R299 PolarHBondContact O-N 3.35Å; R299-N307 CarbonylContact O-C 3.59Å; R299-N307 VanDerWaalsContact O-CA 3.32Å; R299-N307 WeakPolarHBondContact O-CA 3.39Å; R299-I308 WeakPolarHBondContact O-CG1 3.37Å; R299-I308 PolarHBondContact O-N 3Å; R299-L309 HydrophobicContact CG-CD1 4.4Å | ||
| 300 | T | 90.1 | Very high | 87.2 | Confident | 35 Ų | 35 | 59.2 Ų | 59.2 | 22% | 0.215 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -122.8 | 151.6 | -177 | 51 | 0 | 0 | 0 | 0 | 110.3 | W294 L295 H298 K305 I306 N307 | W294-T300 VanDerWaalsContact CD1-O 3.23Å; W294-T300 PolarHBondContact NE1-O 3.11Å; L295-T300 WeakPolarHBondContact CD2-O 3.44Å; H298-T300 WeakPolarHBondContact O-CG2 3.12Å; H298-T300 PolarHBondContact O-N 3.25Å; H298-T300 PolarHBondContact O-OG1 3.37Å; T300-K305 WeakPolarHBondContact CG2-O 3.27Å; T300-I306 WeakPolarHBondContact CA-O 3.41Å; T300-N307 HydrophobicContact CG2-CB 4.39Å |
| 301 | C | 90.3 | Very high | 86.5 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.007 | 30% | 0.304 | C | S | . | . | trans | -65.2 | 130.3 | 170.6 | -179.7 | 0 | 0 | 0 | 0 | 110.4 | L280 C282 H284 M303 C304 K305 I306 | L280-C301 HydrophobicContact CD2-CB 3.7Å; C282-C301 VanDerWaalsContact SG-SG 3.62Å; H284-C301 PolarHBondContact ND1-SG 3.34Å; C301-M303 PolarHBondContact O-N 2.84Å; C301-M303 PolarHBondContact SG-N 2.98Å; C301-M303 VanDerWaalsContact SG-N 3.44Å; C301-C304 VanDerWaalsContact CB-SG 3.51Å; C301-C304 VanDerWaalsContact SG-SG 3.61Å; C301-K305 VanDerWaalsContact O-CA 3.25Å; C301-K305 WeakPolarHBondContact O-CA 3.22Å; C301-K305 PolarHBondContact O-N 3.42Å; C301-I306 PolarHBondContact N-O 3.13Å | ||
| 302 | P | 89.4 | Confident | 85.8 | Confident | 36 Ų | 36 | 63.5 Ų | 63.5 | 23% | 0.234 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -30.8 | 174.6 | -24.7 | 31.2 | 0 | 0 | 0 | 114 | V266 F286 V291 W294 | V266-P302 HydrophobicContact CG2-CB 4.4Å; V266-P302 HydrophobicContact CG2-CG 3.98Å; F286-P302 HydrophobicContact CE1-CB 4.23Å; F286-P302 HydrophobicContact CE1-CG 4.08Å; F286-P302 HydrophobicContact CZ-CB 4.27Å; F286-P302 HydrophobicContact CZ-CG 4.01Å; V291-P302 HydrophobicContact CG2-CG 4.34Å; W294-P302 HydrophobicContact CD2-CG 4.16Å; W294-P302 HydrophobicContact CG-CG 4.02Å; W294-P302 HydrophobicContact CZ2-CB 4.48Å |
| 303 | M | 87.3 | Confident | 84.9 | Confident | 92 Ų | 92 | 65.4 Ų | 65.4 | 45% | 0.453 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -52.5 | -176.5 | -62 | -139.7 | -57.7 | 0 | 0 | 113.3 | A265 H284 F286 C301 | A265-M303 HydrophobicContact CB-CG 4.08Å; A265-M303 HydrophobicContact CB-SD 3.81Å; H284-M303 HydrophobicContact CB-CE 4.24Å; H284-M303 WeakPolarHBondContact CD2-CE 3.39Å; H284-M303 WeakPolarHBondContact NE2-CE 3.29Å; F286-M303 HydrophobicContact CE1-CG 4.05Å; F286-M303 HydrophobicContact CZ-CG 3.86Å; C301-M303 PolarHBondContact O-N 2.84Å; C301-M303 PolarHBondContact SG-N 2.98Å; C301-M303 VanDerWaalsContact SG-N 3.44Å |
| 304 | C | 87.4 | Confident | 84 | Confident | 47 Ų | 47 | 65 Ų | 65 | 32% | 0.318 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | 2 | -173.4 | 61.9 | 0 | 0 | 0 | 0 | 115.1 | H284 C301 I306 | H284-C304 VanDerWaalsContact CE1-SG 3.53Å; H284-C304 PolarHBondContact ND1-SG 2.98Å; C301-C304 VanDerWaalsContact CB-SG 3.51Å; C301-C304 VanDerWaalsContact SG-SG 3.61Å; C304-I306 HydrophobicContact CB-CD1 4.35Å; C304-I306 HydrophobicContact CB-CG1 4.27Å; C304-I306 PolarHBondContact O-N 2.99Å |
| 305 | K | 87.8 | Confident | 82.7 | Confident | 171 Ų | 171 | 66.1 Ų | 66.1 | 74% | 0.743 | 36% | 0.36 | S | S | * | . | trans | 58.6 | 8.8 | -179.6 | -55.4 | -179.3 | -179.8 | 179 | 0 | 115.3 | T300 C301 N307 | T300-K305 WeakPolarHBondContact CG2-O 3.27Å; C301-K305 VanDerWaalsContact O-CA 3.25Å; C301-K305 WeakPolarHBondContact O-CA 3.22Å; C301-K305 PolarHBondContact O-N 3.42Å; K305-N307 PolarHBondContact O-N 3.5Å | ||
| 306 | I | 86.8 | Confident | 81.3 | Confident | 84 Ų | 84 | 69 Ų | 69 | 43% | 0.431 | 38% | 0.377 | S | S | . | . | trans | -64.5 | 129.6 | 176.2 | -65.6 | 175.6 | 0 | 0 | 0 | 109.6 | C282 T300 C301 C304 I308 A311 | C282-I306 HydrophobicContact CB-CD1 3.96Å; T300-I306 WeakPolarHBondContact CA-O 3.41Å; C301-I306 PolarHBondContact N-O 3.13Å; C304-I306 HydrophobicContact CB-CD1 4.35Å; C304-I306 HydrophobicContact CB-CG1 4.27Å; C304-I306 PolarHBondContact O-N 2.99Å; I306-I308 PolarHBondContact O-N 3.46Å; I306-A311 HydrophobicContact CG2-CB 4.49Å | ||
| 307 | N | 86.1 | Confident | 79.6 | Confident | 38 Ų | 38 | 69.6 Ų | 69.6 | 20% | 0.203 | 39% | 0.391 | C | S | . | . | B | Isolated β-bridge | trans | -74.5 | 122.4 | 177.8 | -170.4 | -59.2 | 0 | 0 | 0 | 111.2 | R299 T300 K305 L309 K310 A311 | R299-N307 CarbonylContact O-C 3.59Å; R299-N307 VanDerWaalsContact O-CA 3.32Å; R299-N307 WeakPolarHBondContact O-CA 3.39Å; T300-N307 HydrophobicContact CG2-CB 4.39Å; K305-N307 PolarHBondContact O-N 3.5Å; N307-L309 VanDerWaalsContact C-N 3.3Å; N307-L309 PolarHBondContact O-N 3.33Å; N307-L309 VanDerWaalsContact OD1-CB 3.29Å; N307-L309 WeakPolarHBondContact OD1-CB 3.31Å; N307-L309 PolarHBondContact OD1-N 3.38Å; N307-K310 HydrophobicContact CB-CB 4.27Å; N307-K310 PolarHBondContact O-N 3.35Å; N307-K310 PolarHBondContact OD1-N 3.07Å; N307-A311 PolarHBondContact O-N 3.1Å |
| 308 | I | 85.4 | Confident | 77.9 | Confident | 2 Ų | 2 | 68.9 Ų | 68.9 | 1% | 0.01 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -68.9 | -27.6 | -175.7 | 60.4 | 156.1 | 0 | 0 | 0 | 112.9 | I242 L245 L280 L295 R299 I306 L312 | I242-I308 HydrophobicContact CG1-CD1 3.83Å; L245-I308 HydrophobicContact CD1-CD1 4.09Å; L280-I308 HydrophobicContact CD2-CG2 3.94Å; L280-I308 HydrophobicContact CG-CG2 4.19Å; L295-I308 HydrophobicContact CB-CD1 4.25Å; L295-I308 HydrophobicContact CD1-CD1 4.27Å; L295-I308 HydrophobicContact CD2-CD1 3.95Å; L295-I308 HydrophobicContact CD2-CG1 4.24Å; L295-I308 HydrophobicContact CD2-CG2 3.87Å; L295-I308 HydrophobicContact CG-CD1 4.38Å; R299-I308 WeakPolarHBondContact O-CG1 3.37Å; R299-I308 PolarHBondContact O-N 3Å; I306-I308 PolarHBondContact O-N 3.46Å; I308-L312 WeakPolarHBondContact O-CB 3.44Å; I308-L312 WeakPolarHBondContact O-CD1 3.41Å; I308-L312 VanDerWaalsContact O-CG 3.24Å; I308-L312 WeakPolarHBondContact O-CG 3.4Å; I308-L312 PolarHBondContact O-N 3.43Å; I308-L312 VanDerWaalsContact O-N 3.13Å |
| 309 | L | 82.1 | Confident | 76.1 | Confident | 4 Ų | 4 | 72 Ų | 72 | 2% | 0.021 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -72 | -41.7 | 179.4 | -57.3 | -179.5 | 0 | 0 | 0 | 110.9 | L234 A241 R299 N307 L312 G313 I314 V316 | L234-L309 HydrophobicContact CD1-CD1 4.49Å; A241-L309 HydrophobicContact CB-CD2 3.31Å; R299-L309 HydrophobicContact CG-CD1 4.4Å; N307-L309 VanDerWaalsContact C-N 3.3Å; N307-L309 PolarHBondContact O-N 3.33Å; N307-L309 VanDerWaalsContact OD1-CB 3.29Å; N307-L309 WeakPolarHBondContact OD1-CB 3.31Å; N307-L309 PolarHBondContact OD1-N 3.38Å; L309-L312 PolarHBondContact O-N 2.99Å; L309-G313 PolarHBondContact O-N 2.87Å; L309-I314 HydrophobicContact CD2-CD1 4.31Å; L309-I314 PolarHBondContact O-N 3.48Å; L309-I314 VanDerWaalsContact O-N 3.14Å; L309-V316 HydrophobicContact CB-CG2 3.6Å; L309-V316 HydrophobicContact CD1-CG2 4.04Å; L309-V316 HydrophobicContact CG-CG2 4.48Å |
| 310 | K | 80.1 | Confident | 74.2 | Confident | 174 Ų | 174 | 73 Ų | 73 | 76% | 0.757 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -63.5 | -41.6 | 174.6 | -171.2 | 175.9 | -178.9 | 178 | 0 | 111.3 | N307 L312 G313 | N307-K310 HydrophobicContact CB-CB 4.27Å; N307-K310 PolarHBondContact O-N 3.35Å; N307-K310 PolarHBondContact OD1-N 3.07Å; K310-L312 VanDerWaalsContact C-N 3.29Å; K310-L312 PolarHBondContact O-N 3.16Å; K310-G313 PolarHBondContact O-N 2.85Å |
| 311 | A | 75.9 | Confident | 72 | Confident | 52 Ų | 52 | 77.3 Ų | 77.3 | 43% | 0.43 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -69.5 | -23.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | P281 I306 N307 G313 | P281-A311 HydrophobicContact CB-CB 3.7Å; P281-A311 HydrophobicContact CG-CB 4.05Å; I306-A311 HydrophobicContact CG2-CB 4.49Å; N307-A311 PolarHBondContact O-N 3.1Å; A311-G313 VanDerWaalsContact C-N 3.33Å |
| 312 | L | 76.3 | Confident | 69.6 | Low | 68 Ų | 68 | 82.2 Ų | 82.2 | 36% | 0.356 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 6.2 | 175.1 | -69.7 | 170.2 | 0 | 0 | 0 | 113.5 | A241 L245 P281 I308 L309 K310 I314 | A241-L312 HydrophobicContact CB-CD1 3.96Å; L245-L312 HydrophobicContact CD2-CD1 4.04Å; L245-L312 HydrophobicContact CD2-CD2 4.32Å; P281-L312 HydrophobicContact CG-CD2 4.33Å; P281-L312 HydrophobicContact CG-CG 4.33Å; I308-L312 WeakPolarHBondContact O-CB 3.44Å; I308-L312 WeakPolarHBondContact O-CD1 3.41Å; I308-L312 VanDerWaalsContact O-CG 3.24Å; I308-L312 WeakPolarHBondContact O-CG 3.4Å; I308-L312 PolarHBondContact O-N 3.43Å; I308-L312 VanDerWaalsContact O-N 3.13Å; L309-L312 PolarHBondContact O-N 2.99Å; K310-L312 VanDerWaalsContact C-N 3.29Å; K310-L312 PolarHBondContact O-N 3.16Å; L312-I314 VanDerWaalsContact C-N 3.26Å; L312-I314 HydrophobicContact CB-CD1 4.27Å; L312-I314 HydrophobicContact CB-CG1 4.31Å; L312-I314 PolarHBondContact O-N 3.48Å |
| 313 | G | 70 | Confident | 67.1 | Low | 66 Ų | 66 | 88.3 Ų | 88.3 | 68% | 0.68 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.4 | 17.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | L309 K310 A311 | L309-G313 PolarHBondContact O-N 2.87Å; K310-G313 PolarHBondContact O-N 2.85Å; A311-G313 VanDerWaalsContact C-N 3.33Å |
| 314 | I | 72.1 | Confident | 64.7 | Low | 66 Ų | 66 | 89.7 Ų | 89.7 | 34% | 0.338 | 53% | 0.534 | S | S | . | . | trans | -84.4 | 119.8 | 176.5 | -57.1 | 171 | 0 | 0 | 0 | 107.2 | A241 L309 L312 V316 | A241-I314 HydrophobicContact CB-CD1 3.93Å; L309-I314 HydrophobicContact CD2-CD1 4.31Å; L309-I314 PolarHBondContact O-N 3.48Å; L309-I314 VanDerWaalsContact O-N 3.14Å; L312-I314 VanDerWaalsContact C-N 3.26Å; L312-I314 HydrophobicContact CB-CD1 4.27Å; L312-I314 HydrophobicContact CB-CG1 4.31Å; L312-I314 PolarHBondContact O-N 3.48Å; I314-V316 PolarHBondContact O-N 3.45Å | ||
| 315 | P | 60.7 | Low | 62 | Low | 122 Ų | 122 | 92 Ų | 92 | 79% | 0.792 | 55% | 0.548 | S | S | * | . | trans | -66.2 | 104.3 | 179.5 | 25.9 | -31.8 | 0 | 0 | 0 | 109 | S317 | P315-S317 PolarHBondContact O-N 2.68Š| ||
| 316 | V | 59.8 | Low | 59.5 | Low | 59 Ų | 59 | 90.1 Ų | 90.1 | 36% | 0.358 | 55% | 0.553 | S | S | . | * | trans | -80.8 | 108.9 | 166.4 | -176.3 | 0 | 0 | 0 | 0 | 105.4 | L309 I314 A318 | L309-V316 HydrophobicContact CB-CG2 3.6Å; L309-V316 HydrophobicContact CD1-CG2 4.04Å; L309-V316 HydrophobicContact CG-CG2 4.48Å; I314-V316 PolarHBondContact O-N 3.45Å; V316-A318 PolarHBondContact O-N 2.75Å | ||
| 317 | S | 48.6 | Very low | 56.8 | Low | 99 Ų | 99 | 92.9 Ų | 92.9 | 69% | 0.692 | 57% | 0.569 | S | S | * | * | trans | -54.6 | 124.4 | 168.4 | 45.5 | 0 | 0 | 0 | 0 | 108.3 | P315 D319 | P315-S317 PolarHBondContact O-N 2.68Å; S317-D319 PolarHBondContact O-N 3.18Å | ||
| 318 | A | 47.7 | Very low | 54.7 | Low | 94 Ų | 94 | 100.8 Ų | 100.8 | 78% | 0.777 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -71.5 | 41.3 | -160.3 | 0 | 0 | 0 | 0 | 0 | 116 | V316 | V316-A318 PolarHBondContact O-N 2.75Š|
| 319 | D | 46.9 | Very low | 52.1 | Low | 153 Ų | 153 | 109.9 Ų | 109.9 | 82% | 0.818 | 64% | 0.64 | S | S | * | * | trans | -117.4 | 15.6 | -172.9 | -103.7 | -1.8 | 0 | 0 | 0 | 114.4 | S317 | S317-D319 PolarHBondContact O-N 3.18Š| ||
| 320 | C | 47.8 | Very low | 49.8 | Very low | 70 Ų | 70 | 115.7 Ų | 115.7 | 47% | 0.473 | 68% | 0.676 | S | S | . | * | S | Bend | trans | -136.8 | 31.5 | -176.5 | -71.8 | 0 | 0 | 0 | 0 | 114.7 | ||
| 321 | T | 43.3 | Very low | 47.7 | Very low | 125 Ų | 125 | 112.1 Ų | 112.1 | 77% | 0.767 | 67% | 0.673 | S | S | * | * | trans | -125.9 | 71.6 | 165.3 | 49.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 322 | S | 41.2 | Very low | 45.5 | Very low | 104 Ų | 104 | 116.3 Ų | 116.3 | 73% | 0.727 | 69% | 0.692 | S | S | * | * | trans | -164.6 | 64.2 | 156.8 | 53.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 323 | E | 36.3 | Very low | 43.3 | Very low | 164 Ų | 164 | 116.4 Ų | 116.4 | 77% | 0.766 | 71% | 0.71 | S | S | * | * | trans | -111.1 | 70.1 | 153.8 | -67.1 | -101.9 | -177.8 | 0 | 0 | 106.1 | R227 | R227-E323 IonicContact NH2-OE1 3.1Å; R227-E323 PolarHBondContact NH2-OE1 3.37Å | ||
| 324 | T | 35.8 | Very low | 41.3 | Very low | 122 Ų | 122 | 116.9 Ų | 116.9 | 75% | 0.748 | 72% | 0.715 | S | S | * | * | trans | -109.9 | 122 | 154.3 | -9.5 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 325 | P | 32 | Very low | 39.8 | Very low | 96 Ų | 96 | 119.5 Ų | 119.5 | 62% | 0.623 | 74% | 0.736 | S | S | * | * | trans | -57.7 | 143.4 | 173.4 | -16.2 | 28.7 | 0 | 0 | 0 | 109.1 | D327 | P325-D327 PolarHBondContact O-N 2.99Š| ||
| 326 | P | 35.4 | Very low | 38.2 | Very low | 131 Ų | 131 | 121.1 Ų | 121.1 | 85% | 0.851 | 74% | 0.737 | S | S | * | * | trans | -69.4 | 101 | 168.8 | 28.5 | -28.7 | 0 | 0 | 0 | 107.2 | Y328 | P326-Y328 PolarHBondContact O-N 2.74Š| ||
| 327 | D | 29.5 | Very low | 36.8 | Very low | 142 Ų | 142 | 124 Ų | 124 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | trans | -64.1 | 122.8 | 164.3 | -68.8 | -31.9 | 0 | 0 | 0 | 107.4 | P325 E329 | P325-D327 PolarHBondContact O-N 2.99Å; D327-E329 PolarHBondContact O-N 3.05Å | ||
| 328 | Y | 41.3 | Very low | 36 | Very low | 204 Ų | 204 | 126.5 Ų | 126.5 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | trans | -61.7 | 120.2 | 170.2 | 76.8 | -70.8 | 0 | 0 | 0 | 108.1 | P326 | P326-Y328 PolarHBondContact O-N 2.74Š| ||
| 329 | E | 32.2 | Very low | 35.7 | Very low | 192 Ų | 192 | 127.2 Ų | 127.2 | 90% | 0.897 | 76% | 0.758 | S | S | * | * | trans | -139.6 | 129.6 | 147.4 | -85.9 | -158 | 143.6 | 0 | 0 | 109.5 | D327 | D327-E329 PolarHBondContact O-N 3.05Š| ||
| 330 | T | 32.4 | Very low | 34.8 | Very low | 127 Ų | 127 | 127.2 Ų | 127.2 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | trans | -84.4 | 134 | -175.4 | -66.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 331 | S | 36.7 | Very low | 33.9 | Very low | 99 Ų | 99 | 129 Ų | 129 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | trans | 61.4 | 122.3 | 148.5 | -172.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 332 | V | 30.8 | Very low | 33.1 | Very low | 139 Ų | 139 | 127.9 Ų | 127.9 | 84% | 0.842 | 77% | 0.773 | S | S | * | * | 175.3 | 128.9 | 108.9 | 158.9 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 333 | G | 29.2 | Very low | 32.5 | Very low | 70 Ų | 70 | 126.9 Ų | 126.9 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | trans | 101 | 89.1 | 139.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 334 | G | 28.3 | Very low | 32.3 | Very low | 77 Ų | 77 | 124 Ų | 124 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | 69.7 | 155.2 | 125.6 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 335 | P | 40.7 | Very low | 32.1 | Very low | 120 Ų | 120 | 126 Ų | 126 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | trans | -103.8 | 158.5 | -158 | 38.7 | -30.3 | 0 | 0 | 0 | 114.1 | ||||
| 336 | L | 26.1 | Very low | 32.2 | Very low | 156 Ų | 156 | 127.9 Ų | 127.9 | 82% | 0.817 | 77% | 0.773 | S | S | * | * | trans | -162.5 | 140.2 | 143.1 | -140.1 | 73.2 | 0 | 0 | 0 | 115 | ||||
| 337 | T | 31.1 | Very low | 32.1 | Very low | 120 Ų | 120 | 127.3 Ų | 127.3 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | trans | 72.5 | 104 | 148.7 | 51.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 338 | N | 31 | Very low | 32.1 | Very low | 152 Ų | 152 | 126 Ų | 126 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | trans | -45.8 | 156.2 | 141.4 | -74.6 | -16.9 | 0 | 0 | 0 | 112 | ||||
| 339 | P | 42.5 | Very low | 31.5 | Very low | 109 Ų | 109 | 122.3 Ų | 122.3 | 71% | 0.708 | 76% | 0.758 | S | S | * | * | -146.2 | 142.3 | 75 | 27.7 | -3.7 | 0 | 0 | 0 | 118.7 | |||||
| 340 | I | 27.8 | Very low | 31.6 | Very low | 153 Ų | 153 | 120.5 Ų | 120.5 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | 61.7 | 116.2 | 123.5 | -50.8 | 164.4 | 0 | 0 | 0 | 118 | |||||
| 341 | S | 28.2 | Very low | 31.5 | Very low | 106 Ų | 106 | 118.7 Ų | 118.7 | 74% | 0.741 | 74% | 0.743 | S | S | * | * | 179.9 | 124.6 | 108.2 | -78.5 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 342 | A | 26 | Very low | 31.2 | Very low | 103 Ų | 103 | 118.8 Ų | 118.8 | 85% | 0.851 | 74% | 0.743 | S | S | * | * | trans | 60.5 | 136.3 | 138.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 343 | A | 30.2 | Very low | 31 | Very low | 83 Ų | 83 | 118.1 Ų | 118.1 | 69% | 0.686 | 74% | 0.739 | S | S | * | * | cis | -161.9 | 156.3 | 24.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 344 | S | 31 | Very low | 31 | Very low | 104 Ų | 104 | 120.3 Ų | 120.3 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | trans | 60.5 | 135.7 | 140.4 | 63.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 345 | E | 32.6 | Very low | 31 | Very low | 162 Ų | 162 | 124.4 Ų | 124.4 | 76% | 0.757 | 74% | 0.741 | S | S | * | * | cis | -177.4 | 152.8 | 2.4 | -118.6 | 178.2 | 170.9 | 0 | 0 | 107.1 | ||||
| 346 | I | 32.2 | Very low | 30.3 | Very low | 136 Ų | 136 | 125.6 Ų | 125.6 | 70% | 0.697 | 74% | 0.741 | S | S | * | * | trans | 72 | 117.6 | 143.3 | -64.7 | 165.7 | 0 | 0 | 0 | 116.2 | ||||
| 347 | T | 33.4 | Very low | 31.5 | Very low | 119 Ų | 119 | 123.6 Ų | 123.6 | 73% | 0.73 | 74% | 0.737 | S | S | * | * | cis | -153.9 | 131.7 | 32.2 | 30.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 348 | V | 29.8 | Very low | 31.4 | Very low | 116 Ų | 116 | 122.5 Ų | 122.5 | 70% | 0.703 | 74% | 0.741 | S | S | * | * | 57.1 | 91.2 | 80.9 | -174.2 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 349 | N | 29.9 | Very low | 31.2 | Very low | 125 Ų | 125 | 118.6 Ų | 118.6 | 67% | 0.668 | 74% | 0.736 | S | S | * | * | 92.6 | 153.4 | 93.7 | 99.1 | -22.3 | 0 | 0 | 0 | 111.1 | |||||
| 350 | E | 33.2 | Very low | 30.5 | Very low | 154 Ų | 154 | 125.2 Ų | 125.2 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | cis | -170.4 | 154.1 | -3.9 | -131.1 | -169 | 119.5 | 0 | 0 | 108.5 | ||||
| 351 | S | 30.8 | Very low | 30.4 | Very low | 90 Ų | 90 | 123.7 Ų | 123.7 | 63% | 0.629 | 74% | 0.744 | S | S | * | * | trans | 61.8 | 142 | 134.7 | -63.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 352 | S | 30.6 | Very low | 30.5 | Very low | 100 Ų | 100 | 125.8 Ų | 125.8 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | cis | -170.1 | 138.3 | 21.2 | 33.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 353 | V | 26.8 | Very low | 30.4 | Very low | 126 Ų | 126 | 127.3 Ų | 127.3 | 76% | 0.764 | 74% | 0.739 | S | S | * | * | 33.2 | 133 | 95 | -134.3 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 354 | V | 28.3 | Very low | 30.2 | Very low | 116 Ų | 116 | 129.6 Ų | 129.6 | 70% | 0.703 | 74% | 0.74 | S | S | * | * | cis | -169.2 | 148 | 38.6 | -156 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 355 | L | 27.8 | Very low | 30 | Very low | 162 Ų | 162 | 131.5 Ų | 131.5 | 85% | 0.848 | 74% | 0.736 | S | S | * | * | 179.2 | 137.3 | 70.3 | -91.5 | 164 | 0 | 0 | 0 | 109.3 | |||||
| 356 | D | 26 | Very low | 29.7 | Very low | 146 Ų | 146 | 130.7 Ų | 130.7 | 78% | 0.781 | 73% | 0.733 | S | S | * | * | trans | -77.7 | -172.9 | 164.1 | -136.6 | 6.7 | 0 | 0 | 0 | 109.2 | ||||
| 357 | P | 53 | Low | 29.4 | Very low | 113 Ų | 113 | 130.7 Ų | 130.7 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | cis | -147.9 | -178.9 | 15.8 | 34.8 | -9.7 | 0 | 0 | 0 | 118.9 | ||||
| 358 | A | 28 | Very low | 28.9 | Very low | 98 Ų | 98 | 131.9 Ų | 131.9 | 81% | 0.81 | 73% | 0.73 | S | S | * | * | trans | 113.2 | 125.2 | 140.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 359 | G | 26.3 | Very low | 28.6 | Very low | 69 Ų | 69 | 133.3 Ų | 133.3 | 71% | 0.711 | 73% | 0.729 | S | S | * | * | cis | 172.8 | 176.6 | -0.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 360 | R | 29 | Very low | 28.2 | Very low | 249 Ų | 249 | 136.1 Ų | 136.1 | 94% | 0.94 | 73% | 0.732 | S | S | * | * | trans | 80.7 | 140.6 | 166.5 | -61 | -178 | 176.1 | 155.4 | -0.7 | 117.8 | ||||
| 361 | V | 26.3 | Very low | 27.9 | Very low | 120 Ų | 120 | 135.5 Ų | 135.5 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | cis | 170.1 | 130.7 | -33.7 | 140.5 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 362 | I | 28.4 | Very low | 27.6 | Very low | 151 Ų | 151 | 137.9 Ų | 137.9 | 77% | 0.774 | 73% | 0.73 | S | S | * | * | trans | 72.1 | 98.4 | 153.7 | -60.3 | 165.1 | 0 | 0 | 0 | 120.6 | ||||
| 363 | D | 24.1 | Very low | 27.2 | Very low | 134 Ų | 134 | 139.6 Ų | 139.6 | 72% | 0.717 | 74% | 0.737 | S | S | * | * | 35.1 | 138.3 | 98.5 | -141.9 | 22.2 | 0 | 0 | 0 | 125.8 | |||||
| 364 | L | 26.7 | Very low | 27 | Very low | 132 Ų | 132 | 138.8 Ų | 138.8 | 69% | 0.691 | 73% | 0.732 | S | S | * | * | trans | 67.6 | 123.3 | 144.3 | -118 | 83.7 | 0 | 0 | 0 | 126.6 | ||||
| 365 | H | 26.4 | Very low | 26.8 | Very low | 143 Ų | 143 | 139.3 Ų | 139.3 | 66% | 0.662 | 74% | 0.741 | S | S | * | * | trans | 59.4 | 120.4 | 131.5 | -100.7 | -53 | 0 | 0 | 0 | 125.6 | ||||
| 366 | Q | 27.1 | Very low | 26.7 | Very low | 146 Ų | 146 | 140.2 Ų | 140.2 | 68% | 0.682 | 74% | 0.741 | S | S | * | * | 84.3 | 137.2 | 121.3 | -115.6 | 175 | -26.5 | 0 | 0 | 123.9 | |||||
| 367 | L | 24.8 | Very low | 26.7 | Very low | 135 Ų | 135 | 138.2 Ų | 138.2 | 71% | 0.707 | 75% | 0.745 | S | S | * | * | trans | 97.8 | 120.7 | 142.1 | -66 | 169.6 | 0 | 0 | 0 | 122.6 | ||||
| 368 | H | 23.7 | Very low | 25.5 | Very low | 144 Ų | 144 | 136 Ų | 136 | 67% | 0.667 | 74% | 0.742 | S | S | * | * | 93.5 | 131.5 | 126.5 | -105.5 | -117.7 | 0 | 0 | 0 | 124.8 | |||||
| 369 | H | 23.5 | Very low | 25.6 | Very low | 147 Ų | 147 | 140.5 Ų | 140.5 | 68% | 0.681 | 75% | 0.746 | S | S | * | * | trans | 62.5 | 150.7 | 148.4 | -84.2 | -49.1 | 0 | 0 | 0 | 120.9 | ||||
| 370 | Y | 22.1 | Very low | 25.7 | Very low | 183 Ų | 183 | 142.2 Ų | 142.2 | 72% | 0.718 | 75% | 0.747 | S | S | * | * | cis | 177 | 157.5 | -27.2 | -138.3 | -92.6 | 0 | 0 | 0 | 107.6 | ||||
| 371 | Q | 25.7 | Very low | 25.4 | Very low | 141 Ų | 141 | 138.8 Ų | 138.8 | 66% | 0.659 | 74% | 0.741 | S | S | * | * | trans | 72.2 | 145.9 | 149.7 | -128.3 | 133 | -9.6 | 0 | 0 | 119.5 | ||||
| 372 | E | 24.3 | Very low | 25.6 | Very low | 140 Ų | 140 | 141.2 Ų | 141.2 | 65% | 0.654 | 75% | 0.748 | S | S | * | * | cis | -175.7 | 157.1 | -16.6 | -124.6 | 170.5 | 172.9 | 0 | 0 | 107.4 | ||||
| 373 | T | 22.3 | Very low | 25.5 | Very low | 137 Ų | 137 | 141.4 Ų | 141.4 | 84% | 0.84 | 75% | 0.75 | S | S | * | * | trans | 174.4 | 103.7 | 131.9 | 37.6 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 374 | T | 24 | Very low | 25.6 | Very low | 109 Ų | 109 | 139.9 Ų | 139.9 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | 75.1 | 110.4 | 69.8 | -47.7 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 375 | S | 23.2 | Very low | 25.5 | Very low | 127 Ų | 127 | 138.7 Ų | 138.7 | 89% | 0.888 | 76% | 0.758 | S | S | * | * | trans | -154.9 | 126.6 | 131.2 | 62.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 376 | Q | 26.8 | Very low | 25.5 | Very low | 181 Ų | 181 | 138 Ų | 138 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | trans | -125 | 150.6 | -163.7 | -170.7 | -171.4 | 30.8 | 0 | 0 | 108.8 | ||||
| 377 | A | 25.9 | Very low | 25.5 | Very low | 104 Ų | 104 | 139.3 Ų | 139.3 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | trans | 165 | 133.5 | 143 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 378 | G | 27.5 | Very low | 25.6 | Very low | 65 Ų | 65 | 141 Ų | 141 | 67% | 0.67 | 78% | 0.784 | S | S | * | * | cis | 162.9 | 118.9 | 4.4 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 379 | Q | 29.1 | Very low | 25.9 | Very low | 193 Ų | 193 | 142.8 Ų | 142.8 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | 67.2 | 140.1 | 111.9 | -81.9 | -179.9 | 8.8 | 0 | 0 | 115.7 | |||||
| 380 | S | 27.9 | Very low | 26.5 | Very low | 105 Ų | 105 | 141 Ų | 141 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | cis | -169.9 | 153.1 | 26.6 | 41.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 381 | H | 24.2 | Very low | 27.3 | Very low | 177 Ų | 177 | 138.5 Ų | 138.5 | 82% | 0.819 | 80% | 0.8 | S | S | * | * | trans | -6.9 | 151.8 | 156.1 | -75.4 | -82.7 | 0 | 0 | 0 | 123.9 | ||||
| 382 | I | 29.1 | Very low | 27.4 | Very low | 171 Ų | 171 | 140.6 Ų | 140.6 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | -166.6 | 153.2 | 117.1 | -90 | 156.9 | 0 | 0 | 0 | 111.7 | |||||
| 383 | I | 27.3 | Very low | 27.7 | Very low | 156 Ų | 156 | 139.6 Ų | 139.6 | 80% | 0.8 | 82% | 0.821 | S | S | * | * | trans | -76.1 | 147.4 | -172 | -63.1 | 163.8 | 0 | 0 | 0 | 114.1 | ||||
| 384 | A | 26.5 | Very low | 28 | Very low | 101 Ų | 101 | 137.6 Ų | 137.6 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | -163.5 | 132.6 | 141.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 385 | S | 25 | Very low | 28.2 | Very low | 108 Ų | 108 | 139.7 Ų | 139.7 | 76% | 0.755 | 82% | 0.819 | S | S | * | * | trans | -87.6 | 152.5 | 169.3 | -168.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 386 | C | 25.4 | Very low | 28.8 | Very low | 128 Ų | 128 | 138.4 Ų | 138.4 | 87% | 0.865 | 81% | 0.81 | S | S | * | * | trans | -165.1 | 116.1 | 151.5 | -119.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 387 | E | 27.6 | Very low | 29 | Very low | 174 Ų | 174 | 137.9 Ų | 137.9 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | trans | -59.9 | 154.8 | 152.9 | -83.8 | 158.6 | 109.1 | 0 | 0 | 111.5 | ||||
| 388 | N | 27.3 | Very low | 29.3 | Very low | 170 Ų | 170 | 139.4 Ų | 139.4 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | trans | -151.5 | 122.7 | 150 | -101.3 | -13.5 | 0 | 0 | 0 | 111.3 | ||||
| 389 | Q | 29.5 | Very low | 29.4 | Very low | 182 Ų | 182 | 141.9 Ų | 141.9 | 85% | 0.85 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 166.1 | 166.6 | -114.7 | 174.5 | -26.6 | 0 | 0 | 110.7 | ||
| 390 | P | 35.6 | Very low | 29.6 | Very low | 109 Ų | 109 | 137 Ų | 137 | 71% | 0.708 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 167.2 | -175.7 | 37.4 | -31.4 | 0 | 0 | 0 | 112.5 | ||
| 391 | P | 39 | Very low | 29.7 | Very low | 131 Ų | 131 | 139.2 Ų | 139.2 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 146.8 | 179.2 | 34.8 | -30.6 | 0 | 0 | 0 | 113.3 | ||
| 392 | M | 28.4 | Very low | 29.9 | Very low | 185 Ų | 185 | 137.9 Ų | 137.9 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 150.6 | 167.6 | -71.3 | -95.8 | -72.8 | 0 | 0 | 110.6 | ||
| 393 | S | 29.5 | Very low | 29.9 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | -136.1 | 128 | 152.6 | 59.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 394 | S | 29 | Very low | 30 | Very low | 95 Ų | 95 | 133.9 Ų | 133.9 | 66% | 0.664 | 81% | 0.806 | S | S | * | * | trans | -77.6 | 152.8 | 175.5 | 54 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 395 | D | 28.6 | Very low | 30.3 | Very low | 153 Ų | 153 | 136 Ų | 136 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | -166.2 | 150.9 | 110.4 | -84.7 | -13.4 | 0 | 0 | 0 | 110.6 | |||||
| 396 | S | 36.4 | Very low | 30.5 | Very low | 99 Ų | 99 | 135.9 Ų | 135.9 | 69% | 0.692 | 81% | 0.809 | S | S | * | * | trans | -95.8 | 155 | -167.5 | -50.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 397 | D | 30.4 | Very low | 30.7 | Very low | 171 Ų | 171 | 134.7 Ų | 134.7 | 91% | 0.914 | 80% | 0.802 | S | S | * | * | -169.1 | 147.9 | 126.4 | -94.6 | -22.8 | 0 | 0 | 0 | 112.8 | |||||
| 398 | T | 33.2 | Very low | 31 | Very low | 135 Ų | 135 | 132 Ų | 132 | 83% | 0.828 | 80% | 0.797 | S | S | * | * | trans | -118.3 | 132 | -167.1 | -39.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 399 | S | 29.1 | Very low | 31.2 | Very low | 118 Ų | 118 | 128.5 Ų | 128.5 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | -173.5 | 122.1 | 147.2 | 51.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 400 | A | 32.2 | Very low | 31.5 | Very low | 89 Ų | 89 | 128.7 Ų | 128.7 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | trans | -72.8 | 159.6 | 160.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 401 | I | 30.3 | Very low | 31.4 | Very low | 152 Ų | 152 | 127.4 Ų | 127.4 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | 167.6 | 131.4 | 129.2 | -88.5 | 170 | 0 | 0 | 0 | 113.3 | |||||
| 402 | L | 27.8 | Very low | 31 | Very low | 149 Ų | 149 | 128.7 Ų | 128.7 | 78% | 0.78 | 79% | 0.786 | S | S | * | * | trans | 62.9 | 111.5 | 149.1 | -72 | 161.9 | 0 | 0 | 0 | 123.9 | ||||
| 403 | S | 29.2 | Very low | 31.2 | Very low | 97 Ų | 97 | 129.3 Ų | 129.3 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | 16.1 | 136.2 | 119.9 | -43.1 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 404 | V | 31.2 | Very low | 31.8 | Very low | 147 Ų | 147 | 129.6 Ų | 129.6 | 89% | 0.891 | 78% | 0.782 | S | S | * | * | trans | -148 | 130.8 | 131.2 | 166.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 405 | D | 31 | Very low | 32 | Very low | 146 Ų | 146 | 132.1 Ų | 132.1 | 78% | 0.781 | 79% | 0.788 | S | S | * | * | trans | -69.4 | 159.7 | 173.4 | -66.3 | -58.5 | 0 | 0 | 0 | 114.6 | ||||
| 406 | A | 30.7 | Very low | 32.3 | Very low | 104 Ų | 104 | 132.4 Ų | 132.4 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | -155.9 | 106.7 | 135.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 407 | S | 29.2 | Very low | 32 | Very low | 104 Ų | 104 | 136.7 Ų | 136.7 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -54.5 | 164.5 | 164 | 43.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 408 | V | 33.3 | Very low | 32.1 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 71% | 0.709 | 79% | 0.788 | S | S | * | * | 173.4 | 115.7 | 78.6 | 159.4 | 0 | 0 | 0 | 0 | 106.5 | |||||
| 409 | S | 32.1 | Very low | 31.9 | Very low | 97 Ų | 97 | 139.4 Ų | 139.4 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | 73.8 | 158.6 | 104 | 94.4 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 410 | E | 36.2 | Very low | 32.2 | Very low | 186 Ų | 186 | 139.8 Ų | 139.8 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | cis | -176.8 | -178.3 | -27.8 | -120.3 | -176.4 | 133.9 | 0 | 0 | 106 | ||||
| 411 | A | 32.9 | Very low | 32.2 | Very low | 82 Ų | 82 | 142.8 Ų | 142.8 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | trans | 85.3 | 138.7 | 162.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 412 | D | 29.8 | Very low | 32.4 | Very low | 158 Ų | 158 | 139.5 Ų | 139.5 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | cis | -165.5 | 158.1 | 1.2 | -113.4 | -31.4 | 0 | 0 | 0 | 110 | ||||
| 413 | F | 33.8 | Very low | 32.8 | Very low | 197 Ų | 197 | 142.3 Ų | 142.3 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | trans | -78.7 | 165.8 | 170 | -94.6 | -91.3 | 0 | 0 | 0 | 112.4 | ||||
| 414 | P | 42 | Very low | 33 | Very low | 125 Ų | 125 | 143 Ų | 143 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | -139 | 166.3 | 121.1 | 19.6 | 2 | 0 | 0 | 0 | 116.6 | |||||
| 415 | L | 33.2 | Very low | 33.6 | Very low | 148 Ų | 148 | 146.9 Ų | 146.9 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | trans | -84 | 158.5 | -167.2 | -76.5 | 155.3 | 0 | 0 | 0 | 116.7 | ||||
| 416 | E | 34.3 | Very low | 34.3 | Very low | 159 Ų | 159 | 147.8 Ų | 147.8 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | trans | 51.9 | 132.3 | 138.4 | -69.1 | 176.3 | 107.5 | 0 | 0 | 122.9 | ||||
| 417 | Q | 29.4 | Very low | 34.8 | Very low | 190 Ų | 190 | 149.8 Ų | 149.8 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | -169.4 | 129.7 | 113.8 | -154.7 | 101.1 | 11.4 | 0 | 0 | 111.6 | |||||
| 418 | E | 34.2 | Very low | 35.6 | Very low | 171 Ų | 171 | 151.1 Ų | 151.1 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | trans | -74.7 | 152.7 | 167.3 | -75.2 | 175.4 | 114.2 | 0 | 0 | 113.3 | ||||
| 419 | H | 28.8 | Very low | 36 | Very low | 192 Ų | 192 | 155.5 Ų | 155.5 | 89% | 0.889 | 83% | 0.83 | S | S | * | * | trans | -153.6 | 122.4 | 142.3 | -143.3 | 52.7 | 0 | 0 | 0 | 112.5 | ||||
| 420 | D | 34.7 | Very low | 36.2 | Very low | 125 Ų | 125 | 158.4 Ų | 158.4 | 67% | 0.668 | 84% | 0.838 | S | S | * | * | trans | -68.5 | 149.8 | 164.1 | -81.6 | -51.2 | 0 | 0 | 0 | 111.6 | ||||
| 421 | D | 32.3 | Very low | 36.2 | Very low | 153 Ų | 153 | 156.9 Ų | 156.9 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | 169.8 | 125.3 | 108.7 | -103.1 | -35.2 | 0 | 0 | 0 | 115 | |||||
| 422 | A | 34.9 | Very low | 36.4 | Very low | 83 Ų | 83 | 161.1 Ų | 161.1 | 69% | 0.686 | 85% | 0.845 | S | S | * | * | trans | 32.3 | 124 | 136 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 423 | K | 35.3 | Very low | 36.8 | Very low | 208 Ų | 208 | 161.3 Ų | 161.3 | 90% | 0.904 | 85% | 0.845 | S | S | * | * | 72.9 | 112.7 | 118.4 | -165.4 | 173.1 | -170 | 174.1 | 0 | 120 | |||||
| 424 | S | 34.2 | Very low | 37 | Very low | 111 Ų | 111 | 159.1 Ų | 159.1 | 78% | 0.776 | 84% | 0.844 | S | S | * | * | -167.2 | 140.3 | 118.5 | -163.9 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 425 | R | 42.9 | Very low | 36.6 | Very low | 229 Ų | 229 | 161.3 Ų | 161.3 | 86% | 0.864 | 85% | 0.846 | S | S | * | * | trans | -65.7 | 148.7 | 158.7 | -77.5 | 164.3 | 146.9 | 156.6 | -8.2 | 109.2 | ||||
| 426 | D | 45.5 | Very low | 36.9 | Very low | 164 Ų | 164 | 162.3 Ų | 162.3 | 88% | 0.877 | 85% | 0.851 | S | S | * | * | trans | -161.1 | 147.4 | 131.1 | -97.1 | -26 | 0 | 0 | 0 | 112.6 | ||||
| 427 | N | 42.3 | Very low | 37.1 | Very low | 147 Ų | 147 | 162.5 Ų | 162.5 | 79% | 0.786 | 86% | 0.859 | S | S | * | * | trans | -76 | 176.8 | -176.1 | -89 | -15.5 | 0 | 0 | 0 | 113.3 | ||||
| 428 | T | 45.5 | Very low | 37.7 | Very low | 132 Ų | 132 | 160.3 Ų | 160.3 | 81% | 0.81 | 86% | 0.857 | S | S | * | * | trans | 89.6 | 100.2 | 155.2 | 57.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 429 | C | 41.7 | Very low | 38 | Very low | 208 Ų | 208 | 159.3 Ų | 159.3 | 100% | 1.405 | 86% | 0.862 | S | S | * | * | -156 | 0 | 86.6 | -91 | 0 | 0 | 0 | 0 | 110.2 |
Retrieved 429 of 429 residues in 160.7 ms
(Link to these results)