| 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 | G | 75.4 | Confident | 86.6 | Confident | 96 Ų | 96 | 111.5 Ų | 111.5 | 99% | 0.99 | 66% | 0.659 | S | S | * | * | 0 | -69.8 | 0 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 2 | R | 82.9 | Confident | 86.4 | Confident | 226 Ų | 226 | 107.3 Ų | 107.3 | 85% | 0.853 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -80.2 | -40.7 | -173.4 | -66.4 | 169.9 | 80.7 | 174.1 | 4 | 114.5 | R4 M5 A6 | R2-R4 PolarHBondContact O-N 2.85Å; R2-M5 PolarHBondContact O-N 2.89Å; R2-A6 PolarHBondContact O-N 3.47Å |
| 3 | E | 88 | Confident | 86 | Confident | 173 Ų | 173 | 103.8 Ų | 103.8 | 81% | 0.808 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -63.5 | -41.3 | 179.1 | -63.2 | 179 | 137.8 | 0 | 0 | 112.8 | M5 A6 A7 | E3-M5 VanDerWaalsContact C-N 3.3Å; E3-M5 PolarHBondContact O-N 3.46Å; E3-A6 PolarHBondContact O-N 3.31Å; E3-A7 WeakPolarHBondContact O-CB 3.46Å; E3-A7 PolarHBondContact O-N 2.99Å |
| 4 | R | 87.3 | Confident | 85.6 | Confident | 212 Ų | 212 | 100.8 Ų | 100.8 | 80% | 0.8 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -63 | -37.2 | 174.8 | -67.8 | -172.8 | 179.3 | -179.6 | -1.5 | 112.1 | R2 A8 | R2-R4 PolarHBondContact O-N 2.85Å; R4-A8 WeakPolarHBondContact O-CB 3.35Å; R4-A8 PolarHBondContact O-N 3.02Å |
| 5 | M | 89.8 | Confident | 85.2 | Confident | 148 Ų | 148 | 97.2 Ų | 97.2 | 73% | 0.729 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -71 | -37.4 | 177 | -165.1 | 178.7 | -97.8 | 0 | 0 | 111.4 | R2 E3 A8 A9 | R2-M5 PolarHBondContact O-N 2.89Å; E3-M5 VanDerWaalsContact C-N 3.3Å; E3-M5 PolarHBondContact O-N 3.46Å; M5-A8 PolarHBondContact O-N 3.19Å; M5-A9 WeakPolarHBondContact O-CB 3.49Å; M5-A9 PolarHBondContact O-N 3.07Å |
| 6 | A | 90.1 | Very high | 84.7 | Confident | 61 Ų | 61 | 94.9 Ų | 94.9 | 50% | 0.504 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66.1 | -43.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R2 E3 A8 A9 A10 | R2-A6 PolarHBondContact O-N 3.47Å; E3-A6 PolarHBondContact O-N 3.31Å; A6-A8 PolarHBondContact O-N 3.27Å; A6-A9 PolarHBondContact O-N 3.13Å; A6-A10 WeakPolarHBondContact O-CB 3.34Å; A6-A10 PolarHBondContact O-N 3.48Å |
| 7 | A | 89 | Confident | 83.9 | Confident | 62 Ų | 62 | 92.7 Ų | 92.7 | 51% | 0.512 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -62.8 | -41.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E3 A10 A11 | E3-A7 WeakPolarHBondContact O-CB 3.46Å; E3-A7 PolarHBondContact O-N 2.99Å; A7-A10 PolarHBondContact O-N 3.44Å; A7-A11 WeakPolarHBondContact O-CB 3.04Å; A7-A11 PolarHBondContact O-N 3.22Å |
| 8 | A | 90.1 | Very high | 83.2 | Confident | 61 Ų | 61 | 91.1 Ų | 91.1 | 50% | 0.504 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.2 | -41.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R4 M5 A6 A11 A12 | R4-A8 WeakPolarHBondContact O-CB 3.35Å; R4-A8 PolarHBondContact O-N 3.02Å; M5-A8 PolarHBondContact O-N 3.19Å; A6-A8 PolarHBondContact O-N 3.27Å; A8-A11 PolarHBondContact O-N 3.19Å; A8-A12 WeakPolarHBondContact O-CB 3.23Å; A8-A12 PolarHBondContact O-N 3.12Å |
| 9 | A | 88.4 | Confident | 83 | Confident | 62 Ų | 62 | 93.6 Ų | 93.6 | 51% | 0.512 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.8 | -41.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | M5 A6 A12 A13 | M5-A9 WeakPolarHBondContact O-CB 3.49Å; M5-A9 PolarHBondContact O-N 3.07Å; A6-A9 PolarHBondContact O-N 3.13Å; A9-A12 PolarHBondContact O-N 3.22Å; A9-A13 WeakPolarHBondContact O-CB 3.34Å; A9-A13 PolarHBondContact O-N 3.08Å |
| 10 | A | 86.3 | Confident | 82.9 | Confident | 64 Ų | 64 | 91.6 Ų | 91.6 | 53% | 0.529 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.6 | -42 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | A6 A7 A13 A14 | A6-A10 WeakPolarHBondContact O-CB 3.34Å; A6-A10 PolarHBondContact O-N 3.48Å; A7-A10 PolarHBondContact O-N 3.44Å; A10-A13 PolarHBondContact O-N 3.19Å; A10-A14 WeakPolarHBondContact O-CB 3.09Å; A10-A14 PolarHBondContact O-N 3.25Å |
| 11 | A | 85.3 | Confident | 82.6 | Confident | 61 Ų | 61 | 98.8 Ų | 98.8 | 50% | 0.504 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -63.6 | -42 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A7 A8 A14 A15 | A7-A11 WeakPolarHBondContact O-CB 3.04Å; A7-A11 PolarHBondContact O-N 3.22Å; A8-A11 PolarHBondContact O-N 3.19Å; A11-A14 PolarHBondContact O-N 3.09Å; A11-A15 PolarHBondContact O-N 3.09Å |
| 12 | A | 84.4 | Confident | 83.3 | Confident | 62 Ų | 62 | 96.6 Ų | 96.6 | 51% | 0.512 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.3 | -42.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A8 A9 A15 A16 | A8-A12 WeakPolarHBondContact O-CB 3.23Å; A8-A12 PolarHBondContact O-N 3.12Å; A9-A12 PolarHBondContact O-N 3.22Å; A12-A15 PolarHBondContact O-N 2.95Å; A12-A16 PolarHBondContact O-N 3.08Å |
| 13 | A | 80.9 | Confident | 83.4 | Confident | 62 Ų | 62 | 90.8 Ų | 90.8 | 51% | 0.512 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.7 | -40.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A9 A10 A16 A17 | A9-A13 WeakPolarHBondContact O-CB 3.34Å; A9-A13 PolarHBondContact O-N 3.08Å; A10-A13 PolarHBondContact O-N 3.19Å; A13-A16 PolarHBondContact O-N 2.86Å; A13-A17 WeakPolarHBondContact O-CB 3.33Å; A13-A17 PolarHBondContact O-N 3.3Å |
| 14 | A | 80.4 | Confident | 83.4 | Confident | 61 Ų | 61 | 91.2 Ų | 91.2 | 50% | 0.504 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.3 | -40.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A10 A11 A17 A18 | A10-A14 WeakPolarHBondContact O-CB 3.09Å; A10-A14 PolarHBondContact O-N 3.25Å; A11-A14 PolarHBondContact O-N 3.09Å; A14-A17 PolarHBondContact O-N 2.96Å; A14-A18 WeakPolarHBondContact O-CB 3.44Å; A14-A18 PolarHBondContact O-N 3.45Å |
| 15 | A | 80.2 | Confident | 83.4 | Confident | 47 Ų | 47 | 83.2 Ų | 83.2 | 39% | 0.388 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.9 | -42.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A11 A12 A18 Q19 | A11-A15 PolarHBondContact O-N 3.09Å; A12-A15 PolarHBondContact O-N 2.95Å; A15-A18 WeakPolarHBondContact O-CB 3.45Å; A15-A18 PolarHBondContact O-N 3.49Å; A15-Q19 WeakPolarHBondContact O-CG 3.47Å; A15-Q19 PolarHBondContact O-N 3.09Å; A15-Q19 PolarHBondContact O-NE2 3.46Å |
| 16 | A | 77.6 | Confident | 83.2 | Confident | 60 Ų | 60 | 77.2 Ų | 77.2 | 50% | 0.496 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A12 A13 A18 Q19 | A12-A16 PolarHBondContact O-N 3.08Å; A13-A16 PolarHBondContact O-N 2.86Å; A16-A18 VanDerWaalsContact C-N 3.26Å; A16-A18 PolarHBondContact O-N 2.8Å; A16-Q19 PolarHBondContact O-N 3.26Å; A16-Q19 VanDerWaalsContact O-N 3.14Å |
| 17 | A | 70.6 | Confident | 83.1 | Confident | 58 Ų | 58 | 76.4 Ų | 76.4 | 48% | 0.479 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.3 | -32.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A13 A14 Q19 C20 R29 | A13-A17 WeakPolarHBondContact O-CB 3.33Å; A13-A17 PolarHBondContact O-N 3.3Å; A14-A17 PolarHBondContact O-N 2.96Å; A17-Q19 VanDerWaalsContact C-N 3.28Å; A17-Q19 PolarHBondContact O-N 3.05Å; A17-C20 PolarHBondContact O-N 3.32Å; A17-R29 PolarHBondContact O-NH1 3.25Å |
| 18 | A | 71.9 | Confident | 83.2 | Confident | 63 Ų | 63 | 77.9 Ų | 77.9 | 52% | 0.521 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64 | -32.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | A14 A15 A16 C20 R29 | A14-A18 WeakPolarHBondContact O-CB 3.44Å; A14-A18 PolarHBondContact O-N 3.45Å; A15-A18 WeakPolarHBondContact O-CB 3.45Å; A15-A18 PolarHBondContact O-N 3.49Å; A16-A18 VanDerWaalsContact C-N 3.26Å; A16-A18 PolarHBondContact O-N 2.8Å; A18-C20 VanDerWaalsContact C-N 3.31Å; A18-C20 PolarHBondContact O-N 3.37Å; A18-R29 VanDerWaalsContact CA-NH1 3.34Å; A18-R29 PolarHBondContact O-NH1 2.7Å |
| 19 | Q | 78 | Confident | 83.1 | Confident | 139 Ų | 139 | 79.5 Ų | 79.5 | 65% | 0.65 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -11.4 | -177.2 | -71.2 | 151.5 | 38.6 | 0 | 0 | 114.4 | A15 A16 A17 R21 | A15-Q19 WeakPolarHBondContact O-CG 3.47Å; A15-Q19 PolarHBondContact O-N 3.09Å; A15-Q19 PolarHBondContact O-NE2 3.46Å; A16-Q19 PolarHBondContact O-N 3.26Å; A16-Q19 VanDerWaalsContact O-N 3.14Å; A17-Q19 VanDerWaalsContact C-N 3.28Å; A17-Q19 PolarHBondContact O-N 3.05Å; Q19-R21 WeakPolarHBondContact O-CG 3.42Å; Q19-R21 PolarHBondContact O-N 3.11Å |
| 20 | C | 80.9 | Confident | 83.1 | Confident | 53 Ų | 53 | 83 Ų | 83 | 36% | 0.358 | 49% | 0.487 | S | S | . | . | trans | -64.1 | 108.1 | 169.1 | -177.8 | 0 | 0 | 0 | 0 | 109.8 | A17 A18 C25 R29 | A17-C20 PolarHBondContact O-N 3.32Å; A18-C20 VanDerWaalsContact C-N 3.31Å; A18-C20 PolarHBondContact O-N 3.37Å; C20-C25 VanDerWaalsContact SG-SG 3.62Å; C20-R29 PolarHBondContact O-NH2 3Å | ||
| 21 | R | 78.2 | Confident | 83.5 | Confident | 243 Ų | 243 | 80.7 Ų | 80.7 | 92% | 0.917 | 47% | 0.47 | S | S | * | . | trans | -89.4 | 5.5 | -178.1 | -65.3 | -169.6 | 178.7 | -144.1 | 0.3 | 114.2 | Q19 | Q19-R21 WeakPolarHBondContact O-CG 3.42Å; Q19-R21 PolarHBondContact O-N 3.11Å | ||
| 22 | S | 89.1 | Confident | 83.8 | Confident | 50 Ų | 50 | 84.1 Ų | 84.1 | 35% | 0.35 | 47% | 0.474 | S | S | . | . | trans | -61.4 | 130.4 | 176.8 | 172.7 | 0 | 0 | 0 | 0 | 110.8 | R24 C25 A26 | S22-R24 PolarHBondContact O-N 3.27Å; S22-R24 PolarHBondContact OG-N 2.9Å; S22-C25 PolarHBondContact O-N 2.87Å; S22-A26 PolarHBondContact O-N 3.49Å | ||
| 23 | P | 84.9 | Confident | 84.1 | Confident | 104 Ų | 104 | 89.7 Ų | 89.7 | 68% | 0.675 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -61.1 | -31.5 | 178.5 | 23.8 | -32.8 | 0 | 0 | 0 | 112.1 | A26 A27 | P23-A26 PolarHBondContact O-N 3.33Å; P23-A27 WeakPolarHBondContact O-CB 3.41Å; P23-A27 PolarHBondContact O-N 3.38Å |
| 24 | R | 89.1 | Confident | 84.7 | Confident | 182 Ų | 182 | 94.1 Ų | 94.1 | 69% | 0.687 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65 | -50.6 | 175.9 | -175.7 | 177.9 | 171.9 | 168.6 | 0.5 | 111.7 | S22 A26 A27 E28 | S22-R24 PolarHBondContact O-N 3.27Å; S22-R24 PolarHBondContact OG-N 2.9Å; R24-A26 VanDerWaalsContact C-N 3.26Å; R24-A26 PolarHBondContact O-N 3.42Å; R24-A27 PolarHBondContact O-N 3.17Å; R24-A27 VanDerWaalsContact O-N 3.13Å; R24-E28 IonicContact NE-OE1 2.76Å; R24-E28 PolarHBondContact NE-OE1 3.2Å; R24-E28 PolarHBondContact O-N 3.45Å |
| 25 | C | 86.1 | Confident | 85.4 | Confident | 44 Ų | 44 | 96.4 Ų | 96.4 | 30% | 0.297 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.4 | -31.6 | 176.7 | -64 | 0 | 0 | 0 | 0 | 112.2 | C20 S22 R29 | C20-C25 VanDerWaalsContact SG-SG 3.62Å; S22-C25 PolarHBondContact O-N 2.87Å; C25-R29 WeakPolarHBondContact O-CB 3.25Å; C25-R29 VanDerWaalsContact O-CG 3.28Å; C25-R29 WeakPolarHBondContact O-CG 3.28Å; C25-R29 PolarHBondContact O-N 2.76Å; C25-R29 VanDerWaalsContact O-N 3.12Å; C25-R29 PolarHBondContact O-NE 3.12Å |
| 26 | A | 85.4 | Confident | 86.1 | Confident | 22 Ų | 22 | 100 Ų | 100 | 18% | 0.182 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -68.8 | -40.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S22 P23 R24 R30 | S22-A26 PolarHBondContact O-N 3.49Å; P23-A26 PolarHBondContact O-N 3.33Å; R24-A26 VanDerWaalsContact C-N 3.26Å; R24-A26 PolarHBondContact O-N 3.42Å; A26-R30 WeakPolarHBondContact O-CG 3.49Å; A26-R30 PolarHBondContact O-N 3.25Å; A26-R30 VanDerWaalsContact O-N 3.09Å |
| 27 | A | 89.2 | Confident | 86.7 | Confident | 45 Ų | 45 | 100.9 Ų | 100.9 | 37% | 0.372 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.6 | -46.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P23 R24 R30 G31 | P23-A27 WeakPolarHBondContact O-CB 3.41Å; P23-A27 PolarHBondContact O-N 3.38Å; R24-A27 PolarHBondContact O-N 3.17Å; R24-A27 VanDerWaalsContact O-N 3.13Å; A27-R30 PolarHBondContact O-N 3.15Å; A27-G31 PolarHBondContact O-N 3.49Å |
| 28 | E | 91.5 | Very high | 87.8 | Confident | 93 Ų | 93 | 100.2 Ų | 100.2 | 44% | 0.435 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.9 | -47.4 | 176.4 | -73.5 | 171.2 | -175.8 | 0 | 0 | 111.3 | R24 R30 G31 F32 | R24-E28 IonicContact NE-OE1 2.76Å; R24-E28 PolarHBondContact NE-OE1 3.2Å; R24-E28 PolarHBondContact O-N 3.45Å; E28-R30 VanDerWaalsContact C-N 3.32Å; E28-R30 PolarHBondContact O-N 2.87Å; E28-G31 WeakPolarHBondContact O-CA 3.17Å; E28-G31 PolarHBondContact O-N 3.27Å; E28-F32 VanDerWaalsContact O-CD2 3.28Å; E28-F32 WeakPolarHBondContact O-CD2 3.21Å; E28-F32 PolarHBondContact O-N 3.33Å |
| 29 | R | 86.3 | Confident | 88.6 | Confident | 95 Ų | 95 | 105 Ų | 105 | 36% | 0.358 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.8 | -39.9 | 175.9 | -77.4 | 178.3 | -69.2 | -179.2 | 0.8 | 113.1 | A17 A18 C20 C25 R33 | A17-R29 PolarHBondContact O-NH1 3.25Å; A18-R29 VanDerWaalsContact CA-NH1 3.34Å; A18-R29 PolarHBondContact O-NH1 2.7Å; C20-R29 PolarHBondContact O-NH2 3Å; C25-R29 WeakPolarHBondContact O-CB 3.25Å; C25-R29 VanDerWaalsContact O-CG 3.28Å; C25-R29 WeakPolarHBondContact O-CG 3.28Å; C25-R29 PolarHBondContact O-N 2.76Å; C25-R29 VanDerWaalsContact O-N 3.12Å; C25-R29 PolarHBondContact O-NE 3.12Å; R29-R33 WeakPolarHBondContact O-CB 3.14Å; R29-R33 PolarHBondContact O-N 3.4Å; R29-R33 VanDerWaalsContact O-N 3.1Å |
| 30 | R | 89.4 | Confident | 89 | Confident | 135 Ų | 135 | 105.8 Ų | 105.8 | 51% | 0.509 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.1 | -38.1 | 174.2 | -73.3 | -172.6 | -63.7 | -95.3 | 2.2 | 111.6 | A26 A27 E28 R34 | A26-R30 WeakPolarHBondContact O-CG 3.49Å; A26-R30 PolarHBondContact O-N 3.25Å; A26-R30 VanDerWaalsContact O-N 3.09Å; A27-R30 PolarHBondContact O-N 3.15Å; E28-R30 VanDerWaalsContact C-N 3.32Å; E28-R30 PolarHBondContact O-N 2.87Å; R30-R34 WeakPolarHBondContact O-CG 3.42Å; R30-R34 PolarHBondContact O-N 3.29Å; R30-R34 VanDerWaalsContact O-N 3.09Å; R30-R34 PolarHBondContact O-NE 2.99Å |
| 31 | G | 93.4 | Very high | 89.2 | Confident | 16 Ų | 16 | 109.3 Ų | 109.3 | 17% | 0.165 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -58.9 | -56.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | A27 E28 R33 R34 E35 | A27-G31 PolarHBondContact O-N 3.49Å; E28-G31 WeakPolarHBondContact O-CA 3.17Å; E28-G31 PolarHBondContact O-N 3.27Å; G31-R33 VanDerWaalsContact C-N 3.28Å; G31-R33 PolarHBondContact O-N 2.94Å; G31-R34 WeakPolarHBondContact O-CB 3.43Å; G31-R34 PolarHBondContact O-N 3.03Å; G31-R34 VanDerWaalsContact O-N 3.09Å; G31-E35 PolarHBondContact O-N 2.96Å |
| 32 | F | 91.6 | Very high | 89.5 | Confident | 133 Ų | 133 | 103.3 Ų | 103.3 | 58% | 0.583 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -56.7 | -39.6 | 177.6 | -81.4 | -67.4 | 0 | 0 | 0 | 113.2 | E28 E35 L36 | E28-F32 VanDerWaalsContact O-CD2 3.28Å; E28-F32 WeakPolarHBondContact O-CD2 3.21Å; E28-F32 PolarHBondContact O-N 3.33Å; F32-E35 PolarHBondContact O-N 3.49Å; F32-L36 WeakPolarHBondContact O-CB 3.34Å; F32-L36 WeakPolarHBondContact O-CG 3.44Å; F32-L36 PolarHBondContact O-N 3.31Å |
| 33 | R | 91.1 | Very high | 89.1 | Confident | 178 Ų | 178 | 105.7 Ų | 105.7 | 67% | 0.672 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.7 | -43.2 | 177.4 | -170.3 | 165.3 | -65 | -85.5 | -3.1 | 112 | R29 G31 E35 L36 D37 | R29-R33 WeakPolarHBondContact O-CB 3.14Å; R29-R33 PolarHBondContact O-N 3.4Å; R29-R33 VanDerWaalsContact O-N 3.1Å; G31-R33 VanDerWaalsContact C-N 3.28Å; G31-R33 PolarHBondContact O-N 2.94Å; R33-E35 VanDerWaalsContact C-N 3.35Å; R33-L36 PolarHBondContact O-N 3.12Å; R33-D37 PolarHBondContact O-N 3.32Å |
| 34 | R | 94.4 | Very high | 88.9 | Confident | 155 Ų | 155 | 104.3 Ų | 104.3 | 59% | 0.585 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -62 | -42.4 | 174.8 | -75.8 | -177.5 | -73 | -113.1 | 4.6 | 112.1 | R30 G31 D37 S38 | R30-R34 WeakPolarHBondContact O-CG 3.42Å; R30-R34 PolarHBondContact O-N 3.29Å; R30-R34 VanDerWaalsContact O-N 3.09Å; R30-R34 PolarHBondContact O-NE 2.99Å; G31-R34 WeakPolarHBondContact O-CB 3.43Å; G31-R34 PolarHBondContact O-N 3.03Å; G31-R34 VanDerWaalsContact O-N 3.09Å; R34-D37 PolarHBondContact O-N 2.79Å; R34-S38 VanDerWaalsContact O-CB 3.28Å; R34-S38 WeakPolarHBondContact O-CB 3.42Å; R34-S38 PolarHBondContact O-N 3.44Å |
| 35 | E | 95.3 | Very high | 88.3 | Confident | 110 Ų | 110 | 103.4 Ų | 103.4 | 51% | 0.514 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62 | -48.8 | 175.8 | -75.8 | 174.5 | -143.9 | 0 | 0 | 111.1 | G31 F32 R33 D37 S38 W39 | G31-E35 PolarHBondContact O-N 2.96Å; F32-E35 PolarHBondContact O-N 3.49Å; R33-E35 VanDerWaalsContact C-N 3.35Å; E35-D37 VanDerWaalsContact C-N 3.35Å; E35-D37 PolarHBondContact O-N 2.73Å; E35-S38 CarbonylContact O-C 3.55Å; E35-S38 WeakPolarHBondContact O-CB 3.45Å; E35-S38 PolarHBondContact O-N 3.34Å; E35-S38 VanDerWaalsContact O-N 3.13Å; E35-W39 WeakPolarHBondContact O-CB 3.44Å; E35-W39 PolarHBondContact O-N 3.48Å |
| 36 | L | 93.9 | Very high | 87.7 | Confident | 121 Ų | 121 | 106.4 Ų | 106.4 | 63% | 0.634 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -57.7 | -44.9 | 176.5 | -80.7 | 167.4 | 0 | 0 | 0 | 112.3 | F32 R33 S38 W39 R40 | F32-L36 WeakPolarHBondContact O-CB 3.34Å; F32-L36 WeakPolarHBondContact O-CG 3.44Å; F32-L36 PolarHBondContact O-N 3.31Å; R33-L36 PolarHBondContact O-N 3.12Å; L36-S38 VanDerWaalsContact C-N 3.31Å; L36-S38 PolarHBondContact O-N 2.9Å; L36-W39 PolarHBondContact O-N 3.39Å; L36-R40 WeakPolarHBondContact O-CB 3.49Å; L36-R40 PolarHBondContact O-N 3.12Å |
| 37 | D | 90.9 | Very high | 87.4 | Confident | 79 Ų | 79 | 108.4 Ų | 108.4 | 42% | 0.422 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64 | -38.5 | 176.7 | -77.8 | -30.1 | 0 | 0 | 0 | 111.7 | R33 R34 E35 R40 H41 | R33-D37 PolarHBondContact O-N 3.32Å; R34-D37 PolarHBondContact O-N 2.79Å; E35-D37 VanDerWaalsContact C-N 3.35Å; E35-D37 PolarHBondContact O-N 2.73Å; D37-R40 WeakPolarHBondContact O-CB 3.42Å; D37-R40 PolarHBondContact O-N 3.31Å; D37-H41 PolarHBondContact O-N 2.81Å; D37-H41 VanDerWaalsContact O-N 3.12Å; D37-H41 PolarHBondContact O-ND1 3.3Å |
| 38 | S | 92.5 | Very high | 87 | Confident | 45 Ų | 45 | 107.6 Ų | 107.6 | 32% | 0.315 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.3 | -42.5 | 175.6 | -170.2 | 0 | 0 | 0 | 0 | 111.8 | R34 E35 L36 R40 H41 R42 | R34-S38 VanDerWaalsContact O-CB 3.28Å; R34-S38 WeakPolarHBondContact O-CB 3.42Å; R34-S38 PolarHBondContact O-N 3.44Å; E35-S38 CarbonylContact O-C 3.55Å; E35-S38 WeakPolarHBondContact O-CB 3.45Å; E35-S38 PolarHBondContact O-N 3.34Å; E35-S38 VanDerWaalsContact O-N 3.13Å; L36-S38 VanDerWaalsContact C-N 3.31Å; L36-S38 PolarHBondContact O-N 2.9Å; S38-R40 VanDerWaalsContact C-N 3.34Å; S38-H41 PolarHBondContact O-N 3.2Å; S38-R42 WeakPolarHBondContact O-CB 3.39Å; S38-R42 WeakPolarHBondContact O-CG 3.47Å; S38-R42 PolarHBondContact O-N 3.35Å; S38-R42 PolarHBondContact OG-NH1 2.97Å; S38-R42 PolarHBondContact OG-NH2 2.97Å; S38-R42 VanDerWaalsContact OG-NH2 3.13Å |
| 39 | W | 88.7 | Confident | 86.3 | Confident | 164 Ų | 164 | 109.4 Ų | 109.4 | 62% | 0.621 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.5 | -37.7 | 172.2 | -83.8 | 100.9 | 0 | 0 | 0 | 112.1 | E35 L36 H41 R42 L43 | E35-W39 WeakPolarHBondContact O-CB 3.44Å; E35-W39 PolarHBondContact O-N 3.48Å; L36-W39 PolarHBondContact O-N 3.39Å; W39-H41 PolarHBondContact O-N 2.97Å; W39-R42 PolarHBondContact O-N 3.02Å; W39-L43 WeakPolarHBondContact O-CB 3.34Å; W39-L43 PolarHBondContact O-N 3.37Å |
| 40 | R | 87.6 | Confident | 86 | Confident | 154 Ų | 154 | 108.2 Ų | 108.2 | 58% | 0.581 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.2 | -45.4 | 176.6 | -159.7 | 177.3 | 75 | 90.1 | 3 | 111.1 | L36 D37 S38 M44 | L36-R40 WeakPolarHBondContact O-CB 3.49Å; L36-R40 PolarHBondContact O-N 3.12Å; D37-R40 WeakPolarHBondContact O-CB 3.42Å; D37-R40 PolarHBondContact O-N 3.31Å; S38-R40 VanDerWaalsContact C-N 3.34Å; R40-M44 VanDerWaalsContact O-CG 3.29Å; R40-M44 WeakPolarHBondContact O-CG 2.99Å; R40-M44 PolarHBondContact O-N 3.44Å |
| 41 | H | 84.4 | Confident | 85.6 | Confident | 127 Ų | 127 | 104.3 Ų | 104.3 | 59% | 0.588 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66 | -46 | 174.8 | -71.2 | 89 | 0 | 0 | 0 | 112.1 | D37 S38 W39 L43 M44 H45 | D37-H41 PolarHBondContact O-N 2.81Å; D37-H41 VanDerWaalsContact O-N 3.12Å; D37-H41 PolarHBondContact O-ND1 3.3Å; S38-H41 PolarHBondContact O-N 3.2Å; W39-H41 PolarHBondContact O-N 2.97Å; H41-L43 VanDerWaalsContact C-N 3.35Å; H41-L43 PolarHBondContact O-N 3.37Å; H41-M44 PolarHBondContact O-N 3.42Å; H41-H45 PolarHBondContact O-N 2.99Å |
| 42 | R | 83.8 | Confident | 85.1 | Confident | 117 Ų | 117 | 105.9 Ų | 105.9 | 44% | 0.442 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.2 | -38.6 | 178.3 | -76.8 | -170.3 | -70 | -105.1 | -4.9 | 112.7 | S38 W39 M44 H45 C46 | S38-R42 WeakPolarHBondContact O-CB 3.39Å; S38-R42 WeakPolarHBondContact O-CG 3.47Å; S38-R42 PolarHBondContact O-N 3.35Å; S38-R42 PolarHBondContact OG-NH1 2.97Å; S38-R42 PolarHBondContact OG-NH2 2.97Å; S38-R42 VanDerWaalsContact OG-NH2 3.13Å; W39-R42 PolarHBondContact O-N 3.02Å; R42-M44 PolarHBondContact O-N 2.82Å; R42-H45 CarbonylContact O-C 3.46Å; R42-H45 WeakPolarHBondContact O-CB 3.29Å; R42-H45 PolarHBondContact O-N 2.98Å; R42-H45 VanDerWaalsContact O-N 3.12Å; R42-C46 WeakPolarHBondContact O-CB 3.49Å; R42-C46 PolarHBondContact O-N 3.4Å; R42-C46 PolarHBondContact O-SG 3.38Å |
| 43 | L | 82.6 | Confident | 84.6 | Confident | 100 Ų | 100 | 100.6 Ų | 100.6 | 52% | 0.524 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | 179.6 | -175.5 | 69.8 | 0 | 0 | 0 | 110.9 | W39 H41 H45 C46 V47 | W39-L43 WeakPolarHBondContact O-CB 3.34Å; W39-L43 PolarHBondContact O-N 3.37Å; H41-L43 VanDerWaalsContact C-N 3.35Å; H41-L43 PolarHBondContact O-N 3.37Å; L43-H45 PolarHBondContact O-N 2.95Å; L43-C46 PolarHBondContact O-N 2.91Å; L43-V47 HydrophobicContact CD1-CG2 3.73Å; L43-V47 HydrophobicContact CG-CG2 4.09Å; L43-V47 VanDerWaalsContact O-CB 3.28Å; L43-V47 WeakPolarHBondContact O-CB 3.36Å; L43-V47 VanDerWaalsContact O-CG2 3.25Å; L43-V47 WeakPolarHBondContact O-CG2 3.48Å; L43-V47 PolarHBondContact O-N 3.38Å |
| 44 | M | 79.9 | Confident | 84.4 | Confident | 76 Ų | 76 | 95.1 Ų | 95.1 | 37% | 0.374 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -58.6 | -38.6 | 174.3 | -62 | -64.1 | -62.7 | 0 | 0 | 111.6 | R40 H41 R42 G48 F49 I52 | R40-M44 VanDerWaalsContact O-CG 3.29Å; R40-M44 WeakPolarHBondContact O-CG 2.99Å; R40-M44 PolarHBondContact O-N 3.44Å; H41-M44 PolarHBondContact O-N 3.42Å; R42-M44 PolarHBondContact O-N 2.82Å; M44-G48 CarbonylContact O-C 3.59Å; M44-G48 WeakPolarHBondContact O-CA 3.47Å; M44-G48 PolarHBondContact O-N 2.9Å; M44-F49 HydrophobicContact CE-CD2 4.02Å; M44-I52 HydrophobicContact CE-CD1 3.22Å; M44-I52 HydrophobicContact SD-CD1 3.21Å; M44-I52 WeakPolarHBondContact SD-CD1 3.38Å |
| 45 | H | 77.1 | Confident | 83.9 | Confident | 163 Ų | 163 | 91 Ų | 91 | 76% | 0.755 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -73.3 | -40.1 | 177.2 | -169.9 | -70.9 | 0 | 0 | 0 | 113 | H41 R42 L43 | H41-H45 PolarHBondContact O-N 2.99Å; R42-H45 CarbonylContact O-C 3.46Å; R42-H45 WeakPolarHBondContact O-CB 3.29Å; R42-H45 PolarHBondContact O-N 2.98Å; R42-H45 VanDerWaalsContact O-N 3.12Å; L43-H45 PolarHBondContact O-N 2.95Å |
| 46 | C | 72 | Confident | 83.5 | Confident | 107 Ų | 107 | 91.8 Ų | 91.8 | 72% | 0.723 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -73.2 | -35.1 | -179.2 | -68.3 | 0 | 0 | 0 | 0 | 112.6 | R42 L43 | R42-C46 WeakPolarHBondContact O-CB 3.49Å; R42-C46 PolarHBondContact O-N 3.4Å; R42-C46 PolarHBondContact O-SG 3.38Å; L43-C46 PolarHBondContact O-N 2.91Å |
| 47 | V | 79.3 | Confident | 83.1 | Confident | 64 Ų | 64 | 94 Ų | 94 | 39% | 0.388 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -85 | -24 | 178.7 | 178.8 | 0 | 0 | 0 | 0 | 110.8 | L43 S51 I52 | L43-V47 HydrophobicContact CD1-CG2 3.73Å; L43-V47 HydrophobicContact CG-CG2 4.09Å; L43-V47 VanDerWaalsContact O-CB 3.28Å; L43-V47 WeakPolarHBondContact O-CB 3.36Å; L43-V47 VanDerWaalsContact O-CG2 3.25Å; L43-V47 WeakPolarHBondContact O-CG2 3.48Å; L43-V47 PolarHBondContact O-N 3.38Å; V47-S51 WeakPolarHBondContact O-CB 3.44Å; V47-S51 PolarHBondContact O-OG 2.92Å; V47-I52 HydrophobicContact CG1-CG1 4.09Å |
| 48 | G | 80.9 | Confident | 82.9 | Confident | 27 Ų | 27 | 91.2 Ų | 91.2 | 28% | 0.278 | 47% | 0.465 | S | S | . | . | trans | 77.2 | 144 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | M44 E50 S51 | M44-G48 CarbonylContact O-C 3.59Å; M44-G48 WeakPolarHBondContact O-CA 3.47Å; M44-G48 PolarHBondContact O-N 2.9Å; G48-E50 PolarHBondContact O-N 3.38Å; G48-S51 PolarHBondContact O-N 3.46Å | ||
| 49 | F | 77.9 | Confident | 82.4 | Confident | 132 Ų | 132 | 92.8 Ų | 92.8 | 58% | 0.579 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.1 | -32.7 | 177.3 | -172 | -124.4 | 0 | 0 | 0 | 111.7 | M44 S51 I52 L53 | M44-F49 HydrophobicContact CE-CD2 4.02Å; F49-S51 PolarHBondContact O-N 3.13Å; F49-I52 PolarHBondContact O-N 3.42Å; F49-L53 HydrophobicContact CD1-CD1 3.63Å; F49-L53 HydrophobicContact CD1-CG 4.07Å; F49-L53 HydrophobicContact CD2-CG 4.48Å; F49-L53 HydrophobicContact CE1-CD1 3.37Å; F49-L53 HydrophobicContact CE1-CD2 4.17Å; F49-L53 HydrophobicContact CE1-CG 3.83Å; F49-L53 HydrophobicContact CE2-CD2 4.27Å; F49-L53 HydrophobicContact CE2-CG 4.24Å; F49-L53 HydrophobicContact CG-CD1 4.4Å; F49-L53 HydrophobicContact CG-CG 4.4Å; F49-L53 HydrophobicContact CZ-CD1 3.93Å; F49-L53 HydrophobicContact CZ-CD2 3.83Å; F49-L53 HydrophobicContact CZ-CG 3.91Å; F49-L53 WeakPolarHBondContact O-CB 3.47Å; F49-L53 WeakPolarHBondContact O-CG 3.28Å; F49-L53 PolarHBondContact O-N 2.91Å |
| 50 | E | 78.7 | Confident | 81.9 | Confident | 69 Ų | 69 | 93.7 Ų | 93.7 | 32% | 0.322 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.5 | -46 | 177.6 | -62.9 | -175.2 | 177.8 | 0 | 0 | 113.5 | G48 I52 L53 E54 R62 | G48-E50 PolarHBondContact O-N 3.38Å; E50-I52 PolarHBondContact O-N 3.45Å; E50-L53 PolarHBondContact O-N 3.36Å; E50-E54 WeakPolarHBondContact O-CB 3.43Å; E50-E54 PolarHBondContact O-N 2.96Å; E50-R62 HydrophobicContact CB-CG 4.37Å; E50-R62 IonicContact OE2-CZ 3.93Å; E50-R62 IonicContact OE2-NE 3.94Å; E50-R62 PolarHBondContact OE2-NE 2.89Å; E50-R62 VanDerWaalsContact OE2-NE 3.09Å; E50-R62 IonicContact OE2-NH2 3.09Å; E50-R62 PolarHBondContact OE2-NH2 3.46Å |
| 51 | S | 81.1 | Confident | 81.4 | Confident | 53 Ų | 53 | 88.3 Ų | 88.3 | 37% | 0.371 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.6 | -31.7 | -179.9 | -51.4 | 0 | 0 | 0 | 0 | 111.8 | V47 G48 F49 G55 | V47-S51 WeakPolarHBondContact O-CB 3.44Å; V47-S51 PolarHBondContact O-OG 2.92Å; G48-S51 PolarHBondContact O-N 3.46Å; F49-S51 PolarHBondContact O-N 3.13Å; S51-G55 PolarHBondContact O-N 3.37Å; S51-G55 VanDerWaalsContact O-N 3.07Å |
| 52 | I | 82.6 | Confident | 80.7 | Confident | 49 Ų | 49 | 86.9 Ų | 86.9 | 25% | 0.251 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -72.9 | -45.6 | 176.8 | -64.6 | 172.6 | 0 | 0 | 0 | 110.3 | M44 V47 F49 E50 E54 G55 L56 | M44-I52 HydrophobicContact CE-CD1 3.22Å; M44-I52 HydrophobicContact SD-CD1 3.21Å; M44-I52 WeakPolarHBondContact SD-CD1 3.38Å; V47-I52 HydrophobicContact CG1-CG1 4.09Å; F49-I52 PolarHBondContact O-N 3.42Å; E50-I52 PolarHBondContact O-N 3.45Å; I52-E54 VanDerWaalsContact C-N 3.32Å; I52-G55 PolarHBondContact O-N 3.13Å; I52-L56 HydrophobicContact CG2-CD1 4.3Å; I52-L56 PolarHBondContact O-N 3.27Å; I52-L56 VanDerWaalsContact O-N 3.09Å |
| 53 | L | 82.3 | Confident | 80.3 | Confident | 23 Ų | 23 | 89 Ų | 89 | 12% | 0.12 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -61.6 | -41 | 175.1 | -76.3 | -172.6 | 0 | 0 | 0 | 111.7 | F49 E50 G55 L56 Y57 L61 L65 | F49-L53 HydrophobicContact CD1-CD1 3.63Å; F49-L53 HydrophobicContact CD1-CG 4.07Å; F49-L53 HydrophobicContact CD2-CG 4.48Å; F49-L53 HydrophobicContact CE1-CD1 3.37Å; F49-L53 HydrophobicContact CE1-CD2 4.17Å; F49-L53 HydrophobicContact CE1-CG 3.83Å; F49-L53 HydrophobicContact CE2-CD2 4.27Å; F49-L53 HydrophobicContact CE2-CG 4.24Å; F49-L53 HydrophobicContact CG-CD1 4.4Å; F49-L53 HydrophobicContact CG-CG 4.4Å; F49-L53 HydrophobicContact CZ-CD1 3.93Å; F49-L53 HydrophobicContact CZ-CD2 3.83Å; F49-L53 HydrophobicContact CZ-CG 3.91Å; F49-L53 WeakPolarHBondContact O-CB 3.47Å; F49-L53 WeakPolarHBondContact O-CG 3.28Å; F49-L53 PolarHBondContact O-N 2.91Å; E50-L53 PolarHBondContact O-N 3.36Å; L53-G55 VanDerWaalsContact C-N 3.33Å; L53-G55 PolarHBondContact O-N 2.83Å; L53-L56 PolarHBondContact O-N 3.26Å; L53-Y57 HydrophobicContact CD2-CD2 3.99Å; L53-Y57 HydrophobicContact CD2-CE2 3.75Å; L53-Y57 WeakPolarHBondContact O-CD2 3.4Å; L53-Y57 PolarHBondContact O-N 2.96Å; L53-L61 HydrophobicContact CB-CD2 3.7Å; L53-L61 HydrophobicContact CD1-CD2 4.24Å; L53-L61 HydrophobicContact CD2-CD2 4.22Å; L53-L61 HydrophobicContact CG-CD2 4.29Å; L53-L65 HydrophobicContact CD1-CD1 3.52Å |
| 54 | E | 85.7 | Confident | 79.9 | Confident | 63 Ų | 63 | 88.9 Ų | 88.9 | 29% | 0.294 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.7 | -40.3 | 172.9 | 177.3 | 165.9 | -149.9 | 0 | 0 | 111.9 | E50 I52 L56 G58 P59 R62 | E50-E54 WeakPolarHBondContact O-CB 3.43Å; E50-E54 PolarHBondContact O-N 2.96Å; I52-E54 VanDerWaalsContact C-N 3.32Å; E54-L56 PolarHBondContact O-N 2.8Å; E54-G58 CarbonylContact O-C 3.38Å; E54-G58 WeakPolarHBondContact O-CA 3.28Å; E54-G58 PolarHBondContact O-N 3.29Å; E54-P59 WeakPolarHBondContact OE1-CB 3.41Å; E54-R62 HydrophobicContact CB-CB 4.45Å; E54-R62 WeakPolarHBondContact OE2-CD 3.43Å; E54-R62 IonicContact OE2-NE 3.04Å; E54-R62 IonicContact OE2-NH1 3.35Å |
| 55 | G | 83.6 | Confident | 79.6 | Confident | 69 Ų | 69 | 88.7 Ų | 88.7 | 71% | 0.711 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -66.1 | -32.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | S51 I52 L53 | S51-G55 PolarHBondContact O-N 3.37Å; S51-G55 VanDerWaalsContact O-N 3.07Å; I52-G55 PolarHBondContact O-N 3.13Å; L53-G55 VanDerWaalsContact C-N 3.33Å; L53-G55 PolarHBondContact O-N 2.83Å |
| 56 | L | 87.6 | Confident | 79.4 | Confident | 126 Ų | 126 | 82.8 Ų | 82.8 | 66% | 0.66 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -86.1 | -41.9 | -178.5 | -71.6 | 172.9 | 0 | 0 | 0 | 113.3 | I52 L53 E54 | I52-L56 HydrophobicContact CG2-CD1 4.3Å; I52-L56 PolarHBondContact O-N 3.27Å; I52-L56 VanDerWaalsContact O-N 3.09Å; L53-L56 PolarHBondContact O-N 3.26Å; E54-L56 PolarHBondContact O-N 2.8Å |
| 57 | Y | 86.4 | Confident | 79.4 | Confident | 166 Ų | 166 | 83.3 Ų | 83.3 | 65% | 0.651 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -112 | -4.8 | -170.9 | -60.1 | -80.5 | 0 | 0 | 0 | 113.2 | L53 L61 | L53-Y57 HydrophobicContact CD2-CD2 3.99Å; L53-Y57 HydrophobicContact CD2-CE2 3.75Å; L53-Y57 WeakPolarHBondContact O-CD2 3.4Å; L53-Y57 PolarHBondContact O-N 2.96Å; Y57-L61 VanDerWaalsContact CB-CD2 3.49Å; Y57-L61 HydrophobicContact CD2-CD2 3.34Å; Y57-L61 HydrophobicContact CE2-CD2 4.24Å; Y57-L61 HydrophobicContact CG-CD2 3.61Å |
| 58 | G | 85.3 | Confident | 78.8 | Confident | 22 Ų | 22 | 87.4 Ų | 87.4 | 23% | 0.227 | 44% | 0.443 | C | S | . | . | trans | 86.7 | 172.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114 | E54 R60 L61 | E54-G58 CarbonylContact O-C 3.38Å; E54-G58 WeakPolarHBondContact O-CA 3.28Å; E54-G58 PolarHBondContact O-N 3.29Å; G58-R60 PolarHBondContact O-N 3.14Å; G58-L61 PolarHBondContact O-N 3.37Å | ||
| 59 | P | 81.9 | Confident | 78.2 | Confident | 78 Ų | 78 | 92.5 Ų | 92.5 | 51% | 0.506 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.2 | -6.6 | -172.1 | 25 | -34.3 | 0 | 0 | 0 | 114.9 | E54 | E54-P59 WeakPolarHBondContact OE1-CB 3.41Å |
| 60 | R | 78.9 | Confident | 77.8 | Confident | 182 Ų | 182 | 93.6 Ų | 93.6 | 69% | 0.687 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -75.3 | -38.2 | 175.5 | -70.3 | -175.4 | 64 | -173.6 | -1.7 | 112 | G58 R62 R63 D64 | G58-R60 PolarHBondContact O-N 3.14Å; R60-R62 PolarHBondContact O-N 3.22Å; R60-R63 WeakPolarHBondContact O-CB 3.44Å; R60-R63 PolarHBondContact O-N 3.25Å; R60-D64 PolarHBondContact O-N 3.12Å |
| 61 | L | 76.8 | Confident | 77.5 | Confident | 42 Ų | 42 | 94.5 Ų | 94.5 | 22% | 0.22 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -62.8 | -34.9 | -179.8 | 179.7 | 59.7 | 0 | 0 | 0 | 111.5 | L53 Y57 G58 R63 D64 L65 | L53-L61 HydrophobicContact CB-CD2 3.7Å; L53-L61 HydrophobicContact CD1-CD2 4.24Å; L53-L61 HydrophobicContact CD2-CD2 4.22Å; L53-L61 HydrophobicContact CG-CD2 4.29Å; Y57-L61 VanDerWaalsContact CB-CD2 3.49Å; Y57-L61 HydrophobicContact CD2-CD2 3.34Å; Y57-L61 HydrophobicContact CE2-CD2 4.24Å; Y57-L61 HydrophobicContact CG-CD2 3.61Å; G58-L61 PolarHBondContact O-N 3.37Å; L61-R63 VanDerWaalsContact C-N 3.33Å; L61-R63 PolarHBondContact O-N 2.81Å; L61-D64 PolarHBondContact O-N 2.89Å; L61-D64 VanDerWaalsContact O-N 3.13Å; L61-L65 HydrophobicContact CD1-CD1 4.26Å; L61-L65 HydrophobicContact CD1-CG 4.23Å; L61-L65 HydrophobicContact CG-CD1 3.96Å; L61-L65 HydrophobicContact CG-CG 4.38Å; L61-L65 WeakPolarHBondContact O-CG 3.44Å; L61-L65 PolarHBondContact O-N 3.33Å |
| 62 | R | 70.3 | Confident | 77.1 | Confident | 97 Ų | 97 | 99.1 Ų | 99.1 | 37% | 0.366 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.3 | -38.7 | 179.1 | -149.5 | 172.5 | 174.1 | -134.5 | -10.6 | 112.3 | E50 E54 R60 D64 L65 S66 | E50-R62 HydrophobicContact CB-CG 4.37Å; E50-R62 IonicContact OE2-CZ 3.93Å; E50-R62 IonicContact OE2-NE 3.94Å; E50-R62 PolarHBondContact OE2-NE 2.89Å; E50-R62 VanDerWaalsContact OE2-NE 3.09Å; E50-R62 IonicContact OE2-NH2 3.09Å; E50-R62 PolarHBondContact OE2-NH2 3.46Å; E54-R62 HydrophobicContact CB-CB 4.45Å; E54-R62 WeakPolarHBondContact OE2-CD 3.43Å; E54-R62 IonicContact OE2-NE 3.04Å; E54-R62 IonicContact OE2-NH1 3.35Å; R60-R62 PolarHBondContact O-N 3.22Å; R62-D64 VanDerWaalsContact C-N 3.32Å; R62-D64 PolarHBondContact O-N 3.04Å; R62-L65 PolarHBondContact O-N 3.25Å; R62-S66 WeakPolarHBondContact O-CB 3.37Å; R62-S66 PolarHBondContact O-N 3.1Å; R62-S66 PolarHBondContact O-OG 3.4Å; R62-S66 VanDerWaalsContact O-OG 3.12Å |
| 63 | R | 75.4 | Confident | 76.9 | Confident | 162 Ų | 162 | 100.6 Ų | 100.6 | 61% | 0.611 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.3 | -34.9 | 171.7 | -78.2 | -179.8 | -118.5 | 152.1 | -5 | 113.4 | R60 L61 L65 S66 | R60-R63 WeakPolarHBondContact O-CB 3.44Å; R60-R63 PolarHBondContact O-N 3.25Å; L61-R63 VanDerWaalsContact C-N 3.33Å; L61-R63 PolarHBondContact O-N 2.81Å; R63-L65 VanDerWaalsContact C-N 3.29Å; R63-S66 WeakPolarHBondContact CA-OG 3.35Å; R63-S66 PolarHBondContact O-OG 3.48Å; R63-S66 VanDerWaalsContact O-OG 3.09Å |
| 64 | D | 74.8 | Confident | 76.5 | Confident | 96 Ų | 96 | 109.2 Ų | 109.2 | 51% | 0.513 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -74.6 | -22.6 | 178.6 | -60.4 | -25.3 | 0 | 0 | 0 | 111.8 | R60 L61 R62 L67 | R60-D64 PolarHBondContact O-N 3.12Å; L61-D64 PolarHBondContact O-N 2.89Å; L61-D64 VanDerWaalsContact O-N 3.13Å; R62-D64 VanDerWaalsContact C-N 3.32Å; R62-D64 PolarHBondContact O-N 3.04Å; D64-L67 VanDerWaalsContact O-CD1 3.23Å; D64-L67 WeakPolarHBondContact O-CD1 3.42Å; D64-L67 WeakPolarHBondContact O-CG 3.43Å |
| 65 | L | 73.6 | Confident | 75.9 | Confident | 73 Ų | 73 | 114.1 Ų | 114.1 | 38% | 0.382 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -90.7 | -31.8 | 176.8 | -67.4 | 171.1 | 0 | 0 | 0 | 113.1 | L53 L61 R62 R63 L67 | L53-L65 HydrophobicContact CD1-CD1 3.52Å; L61-L65 HydrophobicContact CD1-CD1 4.26Å; L61-L65 HydrophobicContact CD1-CG 4.23Å; L61-L65 HydrophobicContact CG-CD1 3.96Å; L61-L65 HydrophobicContact CG-CG 4.38Å; L61-L65 WeakPolarHBondContact O-CG 3.44Å; L61-L65 PolarHBondContact O-N 3.33Å; R62-L65 PolarHBondContact O-N 3.25Å; R63-L65 VanDerWaalsContact C-N 3.29Å; L65-L67 PolarHBondContact O-N 3.09Å; L65-L67 VanDerWaalsContact O-N 3.08Å |
| 66 | S | 73.1 | Confident | 75.4 | Confident | 38 Ų | 38 | 117.1 Ų | 117.1 | 27% | 0.266 | 57% | 0.574 | S | S | . | * | G | 310 helix | trans | -71.1 | 4.7 | 177.2 | 59 | 0 | 0 | 0 | 0 | 113.8 | R62 R63 F68 E69 | R62-S66 WeakPolarHBondContact O-CB 3.37Å; R62-S66 PolarHBondContact O-N 3.1Å; R62-S66 PolarHBondContact O-OG 3.4Å; R62-S66 VanDerWaalsContact O-OG 3.12Å; R63-S66 WeakPolarHBondContact CA-OG 3.35Å; R63-S66 PolarHBondContact O-OG 3.48Å; R63-S66 VanDerWaalsContact O-OG 3.09Å; S66-F68 PolarHBondContact O-N 3.09Å; S66-F68 VanDerWaalsContact O-N 3.08Å; S66-E69 WeakPolarHBondContact CB-OE2 3.28Å; S66-E69 WeakPolarHBondContact O-CB 3.41Å; S66-E69 PolarHBondContact O-N 2.89Å |
| 67 | L | 70.3 | Confident | 74.7 | Confident | 119 Ų | 119 | 116.5 Ų | 116.5 | 62% | 0.623 | 58% | 0.576 | S | S | * | * | G | 310 helix | trans | -58.7 | -20.1 | 177.1 | -66.8 | 176.5 | 0 | 0 | 0 | 113.7 | D64 L65 | D64-L67 VanDerWaalsContact O-CD1 3.23Å; D64-L67 WeakPolarHBondContact O-CD1 3.42Å; D64-L67 WeakPolarHBondContact O-CG 3.43Å; L65-L67 PolarHBondContact O-N 3.09Å; L65-L67 VanDerWaalsContact O-N 3.08Å |
| 68 | F | 66.5 | Low | 74.1 | Confident | 150 Ų | 150 | 115.6 Ų | 115.6 | 66% | 0.658 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -109.7 | 3.1 | -177.6 | -54.9 | -76.5 | 0 | 0 | 0 | 113.8 | S66 D70 C71 | S66-F68 PolarHBondContact O-N 3.09Å; S66-F68 VanDerWaalsContact O-N 3.08Å; F68-D70 PolarHBondContact O-N 3.09Å; F68-C71 HydrophobicContact CB-CB 4.37Å; F68-C71 WeakPolarHBondContact O-CB 3.46Å; F68-C71 PolarHBondContact O-N 3.25Å |
| 69 | E | 69.5 | Low | 73.4 | Confident | 133 Ų | 133 | 121.7 Ų | 121.7 | 62% | 0.621 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -31.9 | -178.3 | -141.6 | 168.1 | -169.1 | 0 | 0 | 111.1 | S66 | S66-E69 WeakPolarHBondContact CB-OE2 3.28Å; S66-E69 WeakPolarHBondContact O-CB 3.41Å; S66-E69 PolarHBondContact O-N 2.89Å |
| 70 | D | 69.8 | Low | 72.6 | Confident | 156 Ų | 156 | 120 Ų | 120 | 83% | 0.834 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | 6.8 | 176.7 | -53.1 | -43.5 | 0 | 0 | 0 | 113.7 | F68 E72 | F68-D70 PolarHBondContact O-N 3.09Å; D70-E72 VanDerWaalsContact C-N 3.34Å |
| 71 | C | 71.9 | Confident | 71.9 | Confident | 87 Ų | 87 | 116.9 Ų | 116.9 | 59% | 0.588 | 58% | 0.583 | S | S | * | * | trans | -89.2 | -1.1 | -180 | -68.6 | 0 | 0 | 0 | 0 | 113.4 | F68 | F68-C71 HydrophobicContact CB-CB 4.37Å; F68-C71 WeakPolarHBondContact O-CB 3.46Å; F68-C71 PolarHBondContact O-N 3.25Å | ||
| 72 | E | 73.3 | Confident | 71.3 | Confident | 151 Ų | 151 | 121.3 Ų | 121.3 | 71% | 0.706 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -77.4 | 121.6 | 175.2 | -152.9 | 171.9 | -161.4 | 0 | 0 | 108.8 | D70 E74 | D70-E72 VanDerWaalsContact C-N 3.34Å; E72-E74 PolarHBondContact O-N 3.35Å |
| 73 | P | 76.9 | Confident | 71.1 | Confident | 80 Ų | 80 | 121 Ų | 121 | 52% | 0.519 | 61% | 0.609 | S | S | . | * | trans | -64.2 | 137.7 | -178.8 | 26.3 | -33 | 0 | 0 | 0 | 110.1 | E75 L76 | P73-E75 PolarHBondContact O-N 3.13Å; P73-E75 VanDerWaalsContact O-N 3.11Å; P73-L76 HydrophobicContact CG-CD2 4.06Å | ||
| 74 | E | 73.9 | Confident | 70.8 | Confident | 203 Ų | 203 | 118.9 Ų | 118.9 | 95% | 0.949 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -59.7 | -25.1 | -177.6 | -169.5 | 157.4 | -167.6 | 0 | 0 | 112.6 | E72 | E72-E74 PolarHBondContact O-N 3.35Š|
| 75 | E | 74.6 | Confident | 70.7 | Confident | 166 Ų | 166 | 116.9 Ų | 116.9 | 78% | 0.776 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -126.1 | 122.1 | 166.1 | -64.5 | -167.5 | 149.1 | 0 | 0 | 109.8 | P73 T77 | P73-E75 PolarHBondContact O-N 3.13Å; P73-E75 VanDerWaalsContact O-N 3.11Å; E75-T77 PolarHBondContact O-N 2.97Å; E75-T77 VanDerWaalsContact O-N 3.15Å |
| 76 | L | 72.8 | Confident | 70.4 | Confident | 133 Ų | 133 | 118.8 Ų | 118.8 | 70% | 0.696 | 62% | 0.617 | S | S | * | * | trans | -74.3 | 99.2 | 167.1 | -70.1 | 169.7 | 0 | 0 | 0 | 107.9 | P73 D78 | P73-L76 HydrophobicContact CG-CD2 4.06Å; L76-D78 PolarHBondContact O-N 3.25Å | ||
| 77 | T | 73 | Confident | 70.1 | Confident | 112 Ų | 112 | 126.5 Ų | 126.5 | 69% | 0.687 | 65% | 0.646 | S | S | * | * | trans | -71.2 | 117.1 | 170.2 | -21.8 | 0 | 0 | 0 | 0 | 108.6 | E75 W79 | E75-T77 PolarHBondContact O-N 2.97Å; E75-T77 VanDerWaalsContact O-N 3.15Å; T77-W79 PolarHBondContact O-N 3.43Å | ||
| 78 | D | 74.1 | Confident | 70.6 | Confident | 147 Ų | 147 | 124.6 Ų | 124.6 | 79% | 0.786 | 64% | 0.642 | S | S | * | * | trans | -58.4 | 130.8 | 171.5 | -79.2 | -30.3 | 0 | 0 | 0 | 109.5 | L76 S80 | L76-D78 PolarHBondContact O-N 3.25Å; D78-S80 PolarHBondContact O-N 3.02Å | ||
| 79 | W | 71 | Confident | 70.5 | Confident | 151 Ų | 151 | 122.1 Ų | 122.1 | 57% | 0.572 | 64% | 0.635 | S | S | * | * | trans | -57.1 | 113.1 | -179.6 | -177.5 | 80.1 | 0 | 0 | 0 | 110 | T77 M81 | T77-W79 PolarHBondContact O-N 3.43Å; W79-M81 HydrophobicContact CH2-CG 4.11Å; W79-M81 HydrophobicContact CZ3-CG 3.91Å | ||
| 80 | S | 64.7 | Low | 70.5 | Confident | 41 Ų | 41 | 121.7 Ų | 121.7 | 29% | 0.287 | 64% | 0.637 | S | S | . | * | trans | -95.5 | 147.2 | -179.8 | 72.3 | 0 | 0 | 0 | 0 | 111.3 | D78 D82 E83 | D78-S80 PolarHBondContact O-N 3.02Å; S80-D82 PolarHBondContact O-N 3.29Å; S80-E83 PolarHBondContact O-N 3.4Å; S80-E83 WeakPolarHBondContact OG-CG 3.41Å | ||
| 81 | M | 63 | Low | 70.2 | Confident | 118 Ų | 118 | 120.3 Ų | 120.3 | 58% | 0.581 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -18 | 176.7 | -68.9 | -145 | 177 | 0 | 0 | 113.2 | W79 E83 | W79-M81 HydrophobicContact CH2-CG 4.11Å; W79-M81 HydrophobicContact CZ3-CG 3.91Å; M81-E83 VanDerWaalsContact C-N 3.31Å |
| 82 | D | 64.7 | Low | 69.7 | Low | 134 Ų | 134 | 123.3 Ų | 123.3 | 72% | 0.717 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -10.9 | -179.5 | -54 | -50.2 | 0 | 0 | 0 | 112.2 | S80 | S80-D82 PolarHBondContact O-N 3.29Š|
| 83 | E | 66.9 | Low | 69.1 | Low | 91 Ų | 91 | 124.6 Ų | 124.6 | 43% | 0.425 | 63% | 0.63 | S | S | . | * | S | Bend | trans | -75 | 130.7 | 178.5 | -90.3 | 179 | -162.1 | 0 | 0 | 112.7 | S80 M81 | S80-E83 PolarHBondContact O-N 3.4Å; S80-E83 WeakPolarHBondContact OG-CG 3.41Å; M81-E83 VanDerWaalsContact C-N 3.31Å |
| 84 | K | 69.4 | Low | 68.1 | Low | 118 Ų | 118 | 125.2 Ų | 125.2 | 51% | 0.513 | 64% | 0.642 | S | S | . | * | P | Polyproline II helix | trans | -76.8 | 125.3 | 176.2 | -153.6 | -179.1 | -165.9 | -131.3 | 0 | 108.8 | S86 N89 | K84-S86 PolarHBondContact O-N 3.26Å; K84-N89 WeakPolarHBondContact CE-O 3.5Å; K84-N89 PolarHBondContact NZ-O 2.78Å; K84-N89 PolarHBondContact NZ-OD1 3.02Å |
| 85 | C | 71.3 | Confident | 67.1 | Low | 53 Ų | 53 | 122 Ų | 122 | 36% | 0.358 | 64% | 0.636 | S | S | . | * | P | Polyproline II helix | trans | -58.7 | 123.8 | -179.5 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | F87 C88 N89 L90 | C85-F87 PolarHBondContact O-N 2.95Å; C85-F87 VanDerWaalsContact O-N 3.12Å; C85-C88 WeakPolarHBondContact CB-SG 3.43Å; C85-C88 PolarHBondContact O-N 3.13Å; C85-C88 PolarHBondContact SG-SG 2.92Å; C85-N89 WeakPolarHBondContact O-CA 3.37Å; C85-N89 PolarHBondContact O-N 3.41Å; C85-L90 PolarHBondContact N-O 2.97Å |
| 86 | S | 68 | Low | 65.7 | Low | 113 Ų | 113 | 118.6 Ų | 118.6 | 79% | 0.79 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -18.8 | -176.8 | -42.2 | 0 | 0 | 0 | 0 | 113.9 | K84 | K84-S86 PolarHBondContact O-N 3.26Š|
| 87 | F | 67.2 | Low | 64.6 | Low | 201 Ų | 201 | 117.8 Ų | 117.8 | 88% | 0.882 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -43.1 | 179.4 | -71.5 | -84.2 | 0 | 0 | 0 | 113.3 | C85 | C85-F87 PolarHBondContact O-N 2.95Å; C85-F87 VanDerWaalsContact O-N 3.12Å |
| 88 | C | 79.5 | Confident | 62.9 | Low | 78 Ų | 78 | 118 Ų | 118 | 53% | 0.527 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -111.7 | -4 | -172.8 | 65 | 0 | 0 | 0 | 0 | 114.3 | C85 L90 | C85-C88 WeakPolarHBondContact CB-SG 3.43Å; C85-C88 PolarHBondContact O-N 3.13Å; C85-C88 PolarHBondContact SG-SG 2.92Å; C88-L90 PolarHBondContact O-N 3.33Å |
| 89 | N | 64.1 | Low | 61.7 | Low | 99 Ų | 99 | 116.9 Ų | 116.9 | 53% | 0.529 | 64% | 0.638 | S | S | . | * | trans | 52.7 | 23 | -179.7 | -90 | -69.9 | 0 | 0 | 0 | 114 | K84 C85 | K84-N89 WeakPolarHBondContact CE-O 3.5Å; K84-N89 PolarHBondContact NZ-O 2.78Å; K84-N89 PolarHBondContact NZ-OD1 3.02Å; C85-N89 WeakPolarHBondContact O-CA 3.37Å; C85-N89 PolarHBondContact O-N 3.41Å | ||
| 90 | L | 70.3 | Confident | 59.9 | Low | 124 Ų | 124 | 116 Ų | 116 | 65% | 0.649 | 65% | 0.649 | S | S | * | * | trans | -94.8 | 132.8 | 176.8 | -128.1 | 70.7 | 0 | 0 | 0 | 108.8 | C85 C88 | C85-L90 PolarHBondContact N-O 2.97Å; C88-L90 PolarHBondContact O-N 3.33Å | ||
| 91 | Q | 63.5 | Low | 58.7 | Low | 127 Ų | 127 | 122.3 Ų | 122.3 | 59% | 0.593 | 68% | 0.675 | S | S | * | * | trans | -82.8 | 131 | 169.7 | -164 | 165.1 | 18.7 | 0 | 0 | 107.2 | E93 | Q91-E93 PolarHBondContact O-N 2.81Å; Q91-E93 VanDerWaalsContact O-N 3.13Å | ||
| 92 | R | 61.3 | Low | 57.5 | Low | 149 Ų | 149 | 124.6 Ų | 124.6 | 56% | 0.562 | 68% | 0.684 | S | S | * | * | trans | -68.2 | 113.9 | 173.1 | -78.9 | 177.5 | 69.8 | 173.7 | 0.1 | 107.1 | A94 | R92-A94 PolarHBondContact O-N 2.91Š| ||
| 93 | E | 61.3 | Low | 56.2 | Low | 178 Ų | 178 | 125.5 Ų | 125.5 | 83% | 0.832 | 69% | 0.688 | S | S | * | * | trans | -60.6 | 124.2 | 173.1 | -68 | 172.7 | 166.5 | 0 | 0 | 108.4 | Q91 V95 | Q91-E93 PolarHBondContact O-N 2.81Å; Q91-E93 VanDerWaalsContact O-N 3.13Å; E93-V95 PolarHBondContact O-N 2.96Å | ||
| 94 | A | 56.1 | Low | 54.9 | Low | 94 Ų | 94 | 125.9 Ų | 125.9 | 78% | 0.777 | 70% | 0.7 | S | S | * | * | trans | -65.5 | 102.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | R92 S96 | R92-A94 PolarHBondContact O-N 2.91Å; A94-S96 PolarHBondContact O-N 3.26Å | ||
| 95 | V | 52.5 | Low | 53.4 | Low | 134 Ų | 134 | 125.8 Ų | 125.8 | 81% | 0.812 | 72% | 0.715 | S | S | * | * | trans | -68.9 | 87.4 | 167.7 | -172 | 0 | 0 | 0 | 0 | 106 | E93 S97 | E93-V95 PolarHBondContact O-N 2.96Å; V95-S97 VanDerWaalsContact C-N 3.32Å; V95-S97 PolarHBondContact O-N 3.42Å | ||
| 96 | S | 45.7 | Very low | 52.2 | Low | 95 Ų | 95 | 132.5 Ų | 132.5 | 66% | 0.664 | 74% | 0.741 | S | S | * | * | trans | -63.8 | 100.1 | 168.8 | 64 | 0 | 0 | 0 | 0 | 106.6 | A94 T98 | A94-S96 PolarHBondContact O-N 3.26Å; S96-T98 VanDerWaalsContact C-N 3.3Å; S96-T98 PolarHBondContact O-N 2.89Å | ||
| 97 | S | 49.3 | Very low | 50.5 | Low | 116 Ų | 116 | 130.7 Ų | 130.7 | 81% | 0.811 | 74% | 0.74 | S | S | * | * | trans | -65.6 | 93.7 | 170.6 | 53.4 | 0 | 0 | 0 | 0 | 108.5 | V95 | V95-S97 VanDerWaalsContact C-N 3.32Å; V95-S97 PolarHBondContact O-N 3.42Å | ||
| 98 | T | 36.8 | Very low | 49.2 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 72% | 0.718 | 74% | 0.741 | S | S | * | * | trans | -122.9 | 134.7 | 161.7 | 49.9 | 0 | 0 | 0 | 0 | 109.6 | S96 | S96-T98 VanDerWaalsContact C-N 3.3Å; S96-T98 PolarHBondContact O-N 2.89Å | ||
| 99 | P | 49.9 | Very low | 47.2 | Very low | 123 Ų | 123 | 131.9 Ų | 131.9 | 80% | 0.799 | 75% | 0.752 | S | S | * | * | trans | -92 | 124.3 | -161.9 | 34.3 | -29.6 | 0 | 0 | 0 | 111.7 | ||||
| 100 | T | 31.9 | Very low | 45.9 | Very low | 132 Ų | 132 | 134.6 Ų | 134.6 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | trans | -153.6 | 101.3 | 160.3 | -54.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 101 | E | 40.1 | Very low | 44.7 | Very low | 175 Ų | 175 | 134.5 Ų | 134.5 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | 43.5 | 118 | 140 | -51.7 | -156.3 | 126.4 | 0 | 0 | 122.5 | ||||
| 102 | E | 38.3 | Very low | 43.7 | Very low | 165 Ų | 165 | 134.3 Ų | 134.3 | 77% | 0.771 | 77% | 0.769 | S | S | * | * | 65.4 | 105.6 | 129.8 | -64.6 | -96.4 | 99.4 | 0 | 0 | 119.9 | |||||
| 103 | L | 37.4 | Very low | 43 | Very low | 153 Ų | 153 | 136.9 Ų | 136.9 | 80% | 0.801 | 79% | 0.785 | S | S | * | * | -174.1 | 120.3 | 90.6 | -119 | 109.9 | 0 | 0 | 0 | 112.9 | |||||
| 104 | S | 38.3 | Very low | 42.4 | Very low | 99 Ų | 99 | 135.8 Ų | 135.8 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | trans | 52.8 | 115.3 | 132.8 | -151.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 105 | S | 39 | Very low | 42 | Very low | 116 Ų | 116 | 139.7 Ų | 139.7 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | -177 | 95.1 | 116.9 | -75.4 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 106 | Q | 45.5 | Very low | 41.5 | Very low | 195 Ų | 195 | 139 Ų | 139 | 91% | 0.911 | 79% | 0.785 | S | S | * | * | trans | 27.7 | 107.5 | 139.5 | -156.7 | 169.5 | -20.4 | 0 | 0 | 119.8 | ||||
| 107 | G | 33.1 | Very low | 41.4 | Very low | 74 Ų | 74 | 146.8 Ų | 146.8 | 76% | 0.763 | 81% | 0.811 | S | S | * | * | trans | -158.7 | 110.9 | 159.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | S109 | G107-S109 PolarHBondContact O-N 3.46Š| ||
| 108 | Q | 38.7 | Very low | 41 | Very low | 193 Ų | 193 | 148.3 Ų | 148.3 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | trans | -60.7 | 128 | -169.1 | -67.7 | 162.6 | -34.6 | 0 | 0 | 112.6 | ||||
| 109 | S | 37.6 | Very low | 41.2 | Very low | 111 Ų | 111 | 149.9 Ų | 149.9 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | trans | -87.9 | 113.9 | 168.6 | 47.6 | 0 | 0 | 0 | 0 | 110.2 | G107 | G107-S109 PolarHBondContact O-N 3.46Š| ||
| 110 | H | 36.9 | Very low | 40.8 | Very low | 156 Ų | 156 | 151.4 Ų | 151.4 | 72% | 0.722 | 82% | 0.817 | S | S | * | * | trans | -86.9 | 108.7 | 161.8 | -163.4 | -100.9 | 0 | 0 | 0 | 107.7 | D112 | H110-D112 VanDerWaalsContact CE1-CG 3.41Å; H110-D112 IonicContact CE1-OD1 2.86Å; H110-D112 PolarHBondContact CE1-OD1 3.28Å; H110-D112 VanDerWaalsContact CE1-OD1 3.25Å; H110-D112 IonicContact CE1-OD2 3.64Å; H110-D112 PolarHBondContact CE1-OD2 3.47Å; H110-D112 IonicContact ND1-OD1 3.44Å; H110-D112 IonicContact ND1-OD2 3.25Å; H110-D112 PolarHBondContact ND1-OD2 2.76Å; H110-D112 PolarHBondContact O-N 3.04Å | ||
| 111 | T | 46 | Very low | 41.3 | Very low | 122 Ų | 122 | 152.6 Ų | 152.6 | 75% | 0.748 | 82% | 0.817 | S | S | * | * | trans | -85 | 96.7 | 171.6 | 46.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 112 | D | 42.1 | Very low | 41.4 | Very low | 123 Ų | 123 | 151.2 Ų | 151.2 | 66% | 0.658 | 82% | 0.817 | S | S | * | * | trans | -90.5 | 116.2 | 158.2 | -74.3 | -51.9 | 0 | 0 | 0 | 109 | H110 I114 | H110-D112 VanDerWaalsContact CE1-CG 3.41Å; H110-D112 IonicContact CE1-OD1 2.86Å; H110-D112 PolarHBondContact CE1-OD1 3.28Å; H110-D112 VanDerWaalsContact CE1-OD1 3.25Å; H110-D112 IonicContact CE1-OD2 3.64Å; H110-D112 PolarHBondContact CE1-OD2 3.47Å; H110-D112 IonicContact ND1-OD1 3.44Å; H110-D112 IonicContact ND1-OD2 3.25Å; H110-D112 PolarHBondContact ND1-OD2 2.76Å; H110-D112 PolarHBondContact O-N 3.04Å; D112-I114 PolarHBondContact O-N 3.4Å | ||
| 113 | K | 46.7 | Very low | 41.6 | Very low | 203 Ų | 203 | 150.3 Ų | 150.3 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | trans | -65.6 | 114 | 170.6 | -68.9 | 175.2 | 176.2 | 175.6 | 0 | 108 | E115 | K113-E115 PolarHBondContact O-N 3.25Š| ||
| 114 | I | 49.5 | Very low | 41.9 | Very low | 156 Ų | 156 | 150.1 Ų | 150.1 | 80% | 0.8 | 82% | 0.821 | S | S | * | * | trans | -88 | 104.8 | 166.1 | -57.9 | -173.1 | 0 | 0 | 0 | 107.6 | D112 | D112-I114 PolarHBondContact O-N 3.4Š| ||
| 115 | E | 46.6 | Very low | 42.1 | Very low | 176 Ų | 176 | 154 Ų | 154 | 82% | 0.822 | 83% | 0.831 | S | S | * | * | trans | -81.7 | 116.7 | 166.4 | -178.1 | 174.3 | 172.4 | 0 | 0 | 108.2 | K113 | K113-E115 PolarHBondContact O-N 3.25Š| ||
| 116 | C | 41.5 | Very low | 42.4 | Very low | 119 Ų | 119 | 157.2 Ų | 157.2 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | trans | -82.4 | 122.5 | 170.3 | -79.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 117 | Q | 44.6 | Very low | 42.1 | Very low | 258 Ų | 258 | 153.7 Ų | 153.7 | 100% | 1.206 | 83% | 0.826 | S | S | * | * | trans | -81.5 | 0 | 161.9 | -73.9 | -175.9 | 30.4 | 0 | 0 | 111 |
Retrieved 117 of 117 residues in 46.5 ms
(Link to these results)