| 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 | 73.7 | Confident | 92.6 | Very high | 244 Ų | 244 | 134.5 Ų | 134.5 | 100% | 1.202 | 65% | 0.648 | S | S | * | * | 0 | 139.1 | 0 | -68.8 | 168.7 | 89.9 | 0 | 0 | 109.8 | |||||
| 2 | A | 90.1 | Very high | 93 | Very high | 104 Ų | 104 | 134.1 Ų | 134.1 | 86% | 0.86 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -75 | 153.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 3 | K | 92 | Very high | 93.4 | Very high | 128 Ų | 128 | 130.1 Ų | 130.1 | 56% | 0.557 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 135.5 | 175.6 | -70 | -179.5 | 176.2 | 169 | 0 | 110.4 | K10 | K3-K10 HydrophobicContact CB-CG 4.05Å; K3-K10 HydrophobicContact CD-CG 4.5Å |
| 4 | S | 95.3 | Very high | 93.6 | Very high | 77 Ų | 77 | 126.6 Ų | 126.6 | 54% | 0.538 | 60% | 0.6 | S | S | . | * | P | Polyproline II helix | trans | -56.4 | 147.6 | 172.5 | 169.9 | 0 | 0 | 0 | 0 | 112.4 | R6 S7 | S4-R6 PolarHBondContact O-N 2.91Å; S4-R6 PolarHBondContact OG-N 3.36Å; S4-S7 WeakPolarHBondContact O-CB 3.48Å; S4-S7 PolarHBondContact O-N 2.95Å |
| 5 | L | 90.3 | Very high | 93.9 | Very high | 133 Ų | 133 | 121.8 Ų | 121.8 | 70% | 0.696 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.9 | -35.7 | 175.2 | -176.2 | 68.5 | 0 | 0 | 0 | 112.5 | S7 R14 | L5-S7 VanDerWaalsContact C-N 3.34Å; L5-R14 PolarHBondContact O-NH2 3.43Å |
| 6 | R | 95.2 | Very high | 94 | Very high | 206 Ų | 206 | 119.9 Ų | 119.9 | 78% | 0.777 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -2.5 | -178.5 | -62.9 | -174.8 | 179.7 | -167.1 | -0.1 | 113.1 | S4 K8 R11 | S4-R6 PolarHBondContact O-N 2.91Å; S4-R6 PolarHBondContact OG-N 3.36Å; R6-K8 PolarHBondContact O-N 3Å; R6-R11 PolarHBondContact O-NE 3.44Å; R6-R11 PolarHBondContact O-NH2 3.11Å; R6-R11 VanDerWaalsContact O-NH2 3.16Å |
| 7 | S | 96.6 | Very high | 94.2 | Very high | 38 Ų | 38 | 120.8 Ų | 120.8 | 27% | 0.266 | 58% | 0.581 | S | S | . | * | trans | -52.4 | 136.2 | 174.5 | 177.1 | 0 | 0 | 0 | 0 | 111.3 | S4 L5 W9 K10 R11 | S4-S7 WeakPolarHBondContact O-CB 3.48Å; S4-S7 PolarHBondContact O-N 2.95Å; L5-S7 VanDerWaalsContact C-N 3.34Å; S7-W9 VanDerWaalsContact C-N 3.26Å; S7-W9 PolarHBondContact O-N 3.04Å; S7-K10 PolarHBondContact O-N 3.28Å; S7-R11 PolarHBondContact O-N 3.45Å | ||
| 8 | K | 96.4 | Very high | 94.3 | Very high | 172 Ų | 172 | 122 Ų | 122 | 75% | 0.748 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -55.3 | -42.3 | 179.4 | -69.6 | -173.6 | 177 | -179.3 | 0 | 111.5 | R6 R11 K12 | R6-K8 PolarHBondContact O-N 3Å; K8-R11 PolarHBondContact O-N 2.96Å; K8-K12 PolarHBondContact O-N 3.5Å |
| 9 | W | 95.3 | Very high | 94.4 | Very high | 142 Ų | 142 | 125.2 Ų | 125.2 | 54% | 0.538 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -59.3 | -50.3 | 177.9 | -177.8 | -92.4 | 0 | 0 | 0 | 112.7 | S7 R11 K12 M13 | S7-W9 VanDerWaalsContact C-N 3.26Å; S7-W9 PolarHBondContact O-N 3.04Å; W9-R11 VanDerWaalsContact C-N 3.29Å; W9-R11 PolarHBondContact O-N 3.4Å; W9-K12 PolarHBondContact O-N 3.19Å; W9-M13 HydrophobicContact CZ2-SD 4.31Å; W9-M13 WeakPolarHBondContact O-CG 3.44Å; W9-M13 PolarHBondContact O-N 3.27Å; W9-M13 VanDerWaalsContact O-N 3.08Å |
| 10 | K | 96.4 | Very high | 94.4 | Very high | 104 Ų | 104 | 125.9 Ų | 125.9 | 45% | 0.452 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -68.5 | -29.8 | -179.2 | -67.9 | -69.3 | -71.2 | -171.4 | 0 | 112 | K3 S7 R14 | K3-K10 HydrophobicContact CB-CG 4.05Å; K3-K10 HydrophobicContact CD-CG 4.5Å; S7-K10 PolarHBondContact O-N 3.28Å; K10-R14 WeakPolarHBondContact O-CB 3.33Å; K10-R14 VanDerWaalsContact O-CG 3.31Å; K10-R14 WeakPolarHBondContact O-CG 3.43Å; K10-R14 PolarHBondContact O-N 3.48Å; K10-R14 PolarHBondContact O-NE 3.06Å |
| 11 | R | 97.5 | Very high | 94.4 | Very high | 132 Ų | 132 | 122.5 Ų | 122.5 | 50% | 0.498 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67 | -47.6 | 172 | -81.2 | -170.2 | -75.6 | 158.6 | -6.1 | 111.7 | R6 S7 K8 W9 R14 A15 | R6-R11 PolarHBondContact O-NE 3.44Å; R6-R11 PolarHBondContact O-NH2 3.11Å; R6-R11 VanDerWaalsContact O-NH2 3.16Å; S7-R11 PolarHBondContact O-N 3.45Å; K8-R11 PolarHBondContact O-N 2.96Å; W9-R11 VanDerWaalsContact C-N 3.29Å; W9-R11 PolarHBondContact O-N 3.4Å; R11-R14 PolarHBondContact O-N 3.32Å; R11-R14 VanDerWaalsContact O-N 3.16Å; R11-A15 PolarHBondContact O-N 3.07Å |
| 12 | K | 97.6 | Very high | 95.3 | Very high | 129 Ų | 129 | 112.8 Ų | 112.8 | 56% | 0.561 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -55.9 | -53.5 | 177.2 | -173.6 | -178.5 | 177.2 | -175.5 | 0 | 111.6 | K8 W9 R14 A15 E16 | K8-K12 PolarHBondContact O-N 3.5Å; W9-K12 PolarHBondContact O-N 3.19Å; K12-R14 PolarHBondContact O-N 3.12Å; K12-A15 WeakPolarHBondContact O-CB 3.34Å; K12-A15 PolarHBondContact O-N 2.68Å; K12-E16 VanDerWaalsContact CE-OE1 3.24Å; K12-E16 WeakPolarHBondContact CE-OE1 3.31Å; K12-E16 PolarHBondContact O-N 2.95Å |
| 13 | M | 97.4 | Very high | 95.4 | Very high | 82 Ų | 82 | 111.5 Ų | 111.5 | 40% | 0.404 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.7 | -30.6 | 178.6 | -61.9 | -52.6 | -55.2 | 0 | 0 | 113.4 | W9 E16 K17 | W9-M13 HydrophobicContact CZ2-SD 4.31Å; W9-M13 WeakPolarHBondContact O-CG 3.44Å; W9-M13 PolarHBondContact O-N 3.27Å; W9-M13 VanDerWaalsContact O-N 3.08Å; M13-E16 WeakPolarHBondContact CE-OE2 3.23Å; M13-E16 VanDerWaalsContact SD-OE2 3.38Å; M13-K17 WeakPolarHBondContact O-CB 3.34Å; M13-K17 PolarHBondContact O-N 3.46Å |
| 14 | R | 96.9 | Very high | 95.5 | Very high | 81 Ų | 81 | 110.7 Ų | 110.7 | 31% | 0.306 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -71.3 | -38.3 | 173.8 | -80.7 | -174.7 | -70.8 | 124.2 | -14.4 | 111.8 | L5 K10 R11 K12 K17 R18 | L5-R14 PolarHBondContact O-NH2 3.43Å; K10-R14 WeakPolarHBondContact O-CB 3.33Å; K10-R14 VanDerWaalsContact O-CG 3.31Å; K10-R14 WeakPolarHBondContact O-CG 3.43Å; K10-R14 PolarHBondContact O-N 3.48Å; K10-R14 PolarHBondContact O-NE 3.06Å; R11-R14 PolarHBondContact O-N 3.32Å; R11-R14 VanDerWaalsContact O-N 3.16Å; K12-R14 PolarHBondContact O-N 3.12Å; R14-K17 PolarHBondContact O-N 2.72Å; R14-R18 WeakPolarHBondContact O-CG 3.16Å; R14-R18 PolarHBondContact O-N 3.07Å |
| 15 | A | 96.9 | Very high | 95.3 | Very high | 55 Ų | 55 | 112 Ų | 112 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64 | -45.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | R11 K12 K17 R18 K19 | R11-A15 PolarHBondContact O-N 3.07Å; K12-A15 WeakPolarHBondContact O-CB 3.34Å; K12-A15 PolarHBondContact O-N 2.68Å; A15-K17 VanDerWaalsContact C-N 3.33Å; A15-K17 PolarHBondContact O-N 3.05Å; A15-R18 PolarHBondContact O-N 2.79Å; A15-R18 VanDerWaalsContact O-N 3.12Å; A15-K19 PolarHBondContact O-N 3.47Å |
| 16 | E | 96.8 | Very high | 95.2 | Very high | 91 Ų | 91 | 110.4 Ų | 110.4 | 43% | 0.425 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.8 | -43.6 | 174.5 | -70.5 | 169.4 | -169.5 | 0 | 0 | 111.9 | K12 M13 R18 K19 K20 | K12-E16 VanDerWaalsContact CE-OE1 3.24Å; K12-E16 WeakPolarHBondContact CE-OE1 3.31Å; K12-E16 PolarHBondContact O-N 2.95Å; M13-E16 WeakPolarHBondContact CE-OE2 3.23Å; M13-E16 VanDerWaalsContact SD-OE2 3.38Å; E16-R18 PolarHBondContact O-N 3.04Å; E16-K19 PolarHBondContact O-N 3.39Å; E16-K20 PolarHBondContact O-N 3.31Å |
| 17 | K | 96.9 | Very high | 94.9 | Very high | 135 Ų | 135 | 104 Ų | 104 | 59% | 0.587 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.6 | -41.5 | 174.5 | -171.4 | -179.6 | -63.2 | -170.9 | 0 | 112.4 | M13 R14 A15 K20 N21 | M13-K17 WeakPolarHBondContact O-CB 3.34Å; M13-K17 PolarHBondContact O-N 3.46Å; R14-K17 PolarHBondContact O-N 2.72Å; A15-K17 VanDerWaalsContact C-N 3.33Å; A15-K17 PolarHBondContact O-N 3.05Å; K17-K20 PolarHBondContact O-N 3.24Å; K17-N21 WeakPolarHBondContact O-CB 3.23Å; K17-N21 PolarHBondContact O-N 3.18Å |
| 18 | R | 96.3 | Very high | 94.7 | Very high | 143 Ų | 143 | 109.9 Ų | 109.9 | 54% | 0.54 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.8 | -40.4 | 176.2 | -73.5 | -173.1 | -163.4 | 103.2 | -12 | 112 | R14 A15 E16 K20 N21 A22 | R14-R18 WeakPolarHBondContact O-CG 3.16Å; R14-R18 PolarHBondContact O-N 3.07Å; A15-R18 PolarHBondContact O-N 2.79Å; A15-R18 VanDerWaalsContact O-N 3.12Å; E16-R18 PolarHBondContact O-N 3.04Å; R18-K20 PolarHBondContact O-N 3.11Å; R18-N21 PolarHBondContact O-N 3.1Å; R18-A22 WeakPolarHBondContact O-CB 3.42Å; R18-A22 PolarHBondContact O-N 3.21Å |
| 19 | K | 95.4 | Very high | 94.3 | Very high | 182 Ų | 182 | 106.9 Ų | 106.9 | 79% | 0.791 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -56 | -38.1 | 174.7 | -171.6 | 178 | -179.7 | 179.9 | 0 | 111.8 | A15 E16 P23 | A15-K19 PolarHBondContact O-N 3.47Å; E16-K19 PolarHBondContact O-N 3.39Å; K19-P23 WeakPolarHBondContact O-CD 3.26Å |
| 20 | K | 94.9 | Very high | 94 | Very high | 140 Ų | 140 | 104.4 Ų | 104.4 | 61% | 0.609 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -75.8 | -41 | 177.5 | -176.8 | 178.8 | 177 | 177.1 | 0 | 113.7 | E16 K17 R18 | E16-K20 PolarHBondContact O-N 3.31Å; K17-K20 PolarHBondContact O-N 3.24Å; R18-K20 PolarHBondContact O-N 3.11Å |
| 21 | N | 94.8 | Very high | 93.5 | Very high | 54 Ų | 54 | 103.2 Ų | 103.2 | 29% | 0.289 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -91.5 | -35.2 | -170 | -74.2 | 16.2 | 0 | 0 | 0 | 113.6 | K17 R18 K24 E25 | K17-N21 WeakPolarHBondContact O-CB 3.23Å; K17-N21 PolarHBondContact O-N 3.18Å; R18-N21 PolarHBondContact O-N 3.1Å; N21-K24 PolarHBondContact O-N 3.29Å; N21-E25 PolarHBondContact O-N 3.11Å |
| 22 | A | 93.1 | Very high | 93.1 | Very high | 40 Ų | 40 | 103.3 Ų | 103.3 | 33% | 0.331 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -50.9 | -51.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | R18 K24 E25 L26 | R18-A22 WeakPolarHBondContact O-CB 3.42Å; R18-A22 PolarHBondContact O-N 3.21Å; A22-K24 VanDerWaalsContact C-N 3.26Å; A22-K24 PolarHBondContact O-N 3.09Å; A22-E25 PolarHBondContact O-N 2.91Å; A22-L26 VanDerWaalsContact O-CB 3.26Å; A22-L26 WeakPolarHBondContact O-CB 3.47Å; A22-L26 WeakPolarHBondContact O-CG 3.4Å; A22-L26 PolarHBondContact O-N 3.05Å |
| 23 | P | 92.3 | Very high | 92.5 | Very high | 78 Ų | 78 | 102.8 Ų | 102.8 | 51% | 0.506 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.1 | -31.8 | -179.2 | 24.5 | -34.4 | 0 | 0 | 0 | 113 | K19 S27 | K19-P23 WeakPolarHBondContact O-CD 3.26Å; P23-S27 WeakPolarHBondContact O-CB 3.37Å; P23-S27 PolarHBondContact O-N 2.82Å; P23-S27 VanDerWaalsContact O-N 3.11Å; P23-S27 PolarHBondContact O-OG 3.48Å |
| 24 | K | 93.1 | Very high | 91.6 | Very high | 111 Ų | 111 | 107.7 Ų | 107.7 | 48% | 0.483 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -75.9 | -38.5 | -178.6 | -57.1 | -174.7 | -179.4 | -161.6 | 0 | 112.5 | N21 A22 S27 R28 | N21-K24 PolarHBondContact O-N 3.29Å; A22-K24 VanDerWaalsContact C-N 3.26Å; A22-K24 PolarHBondContact O-N 3.09Å; K24-S27 PolarHBondContact O-OG 3.33Å; K24-S27 VanDerWaalsContact O-OG 3.12Å; K24-R28 WeakPolarHBondContact O-CD 3.23Å; K24-R28 VanDerWaalsContact O-CG 3.22Å; K24-R28 WeakPolarHBondContact O-CG 3.43Å; K24-R28 PolarHBondContact O-N 3.47Å |
| 25 | E | 92 | Very high | 90.1 | Very high | 103 Ų | 103 | 106.8 Ų | 106.8 | 48% | 0.481 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -75 | -41.5 | 177.5 | -70.5 | 173.3 | -167.5 | 0 | 0 | 110 | N21 A22 S27 R28 L29 | N21-E25 PolarHBondContact O-N 3.11Å; A22-E25 PolarHBondContact O-N 2.91Å; E25-S27 PolarHBondContact O-N 3.49Å; E25-R28 PolarHBondContact O-N 3.41Å; E25-L29 WeakPolarHBondContact O-CB 3.47Å; E25-L29 VanDerWaalsContact O-CG 3.23Å; E25-L29 WeakPolarHBondContact O-CG 3.43Å; E25-L29 PolarHBondContact O-N 3.37Å |
| 26 | L | 88.3 | Confident | 88.3 | Confident | 101 Ų | 101 | 114 Ų | 114 | 53% | 0.529 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.4 | -43.5 | 176.7 | -71.9 | 175.1 | 0 | 0 | 0 | 112.4 | A22 L29 K30 | A22-L26 VanDerWaalsContact O-CB 3.26Å; A22-L26 WeakPolarHBondContact O-CB 3.47Å; A22-L26 WeakPolarHBondContact O-CG 3.4Å; A22-L26 PolarHBondContact O-N 3.05Å; L26-L29 PolarHBondContact O-N 3.47Å; L26-K30 WeakPolarHBondContact O-CB 3.06Å; L26-K30 WeakPolarHBondContact O-CG 3.46Å; L26-K30 PolarHBondContact O-N 3.49Å |
| 27 | S | 88.4 | Confident | 86.6 | Confident | 70 Ų | 70 | 111.5 Ų | 111.5 | 49% | 0.49 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.4 | -44.3 | 178.1 | 63.3 | 0 | 0 | 0 | 0 | 112.3 | P23 K24 E25 L29 K30 S31 | P23-S27 WeakPolarHBondContact O-CB 3.37Å; P23-S27 PolarHBondContact O-N 2.82Å; P23-S27 VanDerWaalsContact O-N 3.11Å; P23-S27 PolarHBondContact O-OG 3.48Å; K24-S27 PolarHBondContact O-OG 3.33Å; K24-S27 VanDerWaalsContact O-OG 3.12Å; E25-S27 PolarHBondContact O-N 3.49Å; S27-L29 PolarHBondContact O-N 3.06Å; S27-K30 PolarHBondContact O-N 2.9Å; S27-S31 WeakPolarHBondContact O-CB 3.22Å; S27-S31 PolarHBondContact O-N 2.94Å; S27-S31 PolarHBondContact O-OG 2.9Å |
| 28 | R | 91.6 | Very high | 84.8 | Confident | 162 Ų | 162 | 111.2 Ų | 111.2 | 61% | 0.611 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.2 | -41.9 | 176.8 | -71.6 | 171.1 | -176.9 | 178.5 | -3.2 | 112.5 | K24 E25 S31 I32 | K24-R28 WeakPolarHBondContact O-CD 3.23Å; K24-R28 VanDerWaalsContact O-CG 3.22Å; K24-R28 WeakPolarHBondContact O-CG 3.43Å; K24-R28 PolarHBondContact O-N 3.47Å; E25-R28 PolarHBondContact O-N 3.41Å; R28-S31 WeakPolarHBondContact CA-OG 3.35Å; R28-S31 PolarHBondContact O-N 3.4Å; R28-S31 PolarHBondContact O-OG 3.32Å; R28-I32 WeakPolarHBondContact O-CD1 3.38Å; R28-I32 VanDerWaalsContact O-CG1 3.23Å; R28-I32 WeakPolarHBondContact O-CG1 3.42Å; R28-I32 PolarHBondContact O-N 3.39Å |
| 29 | L | 89.4 | Confident | 82.9 | Confident | 110 Ų | 110 | 107.9 Ų | 107.9 | 58% | 0.576 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -69.5 | -42.4 | 179.2 | -69 | 173 | 0 | 0 | 0 | 111.1 | E25 L26 S27 S31 I32 L33 | E25-L29 WeakPolarHBondContact O-CB 3.47Å; E25-L29 VanDerWaalsContact O-CG 3.23Å; E25-L29 WeakPolarHBondContact O-CG 3.43Å; E25-L29 PolarHBondContact O-N 3.37Å; L26-L29 PolarHBondContact O-N 3.47Å; S27-L29 PolarHBondContact O-N 3.06Å; L29-S31 VanDerWaalsContact C-N 3.33Å; L29-S31 PolarHBondContact O-N 2.82Å; L29-I32 PolarHBondContact O-N 2.95Å; L29-L33 PolarHBondContact O-N 3.42Å; L29-L33 VanDerWaalsContact O-N 3.11Å |
| 30 | K | 88.1 | Confident | 81.1 | Confident | 89 Ų | 89 | 104.3 Ų | 104.3 | 39% | 0.387 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.5 | -41.5 | 173.9 | -75.8 | -173.1 | 172.2 | -163.1 | 0 | 111.7 | L26 S27 L33 K34 L35 D38 | L26-K30 WeakPolarHBondContact O-CB 3.06Å; L26-K30 WeakPolarHBondContact O-CG 3.46Å; L26-K30 PolarHBondContact O-N 3.49Å; S27-K30 PolarHBondContact O-N 2.9Å; K30-L33 PolarHBondContact O-N 3.12Å; K30-K34 PolarHBondContact O-N 3.36Å; K30-K34 VanDerWaalsContact O-N 3.1Å; K30-L35 PolarHBondContact O-N 3.16Å; K30-D38 IonicContact NZ-OD1 2.79Å; K30-D38 PolarHBondContact NZ-OD1 2.97Å |
| 31 | S | 86.4 | Confident | 79.4 | Confident | 80 Ų | 80 | 103.7 Ų | 103.7 | 56% | 0.559 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.7 | -40.2 | 178 | 65.7 | 0 | 0 | 0 | 0 | 113 | S27 R28 L29 L33 K34 | S27-S31 WeakPolarHBondContact O-CB 3.22Å; S27-S31 PolarHBondContact O-N 2.94Å; S27-S31 PolarHBondContact O-OG 2.9Å; R28-S31 WeakPolarHBondContact CA-OG 3.35Å; R28-S31 PolarHBondContact O-N 3.4Å; R28-S31 PolarHBondContact O-OG 3.32Å; L29-S31 VanDerWaalsContact C-N 3.33Å; L29-S31 PolarHBondContact O-N 2.82Å; S31-L33 VanDerWaalsContact C-N 3.31Å; S31-L33 PolarHBondContact O-N 3.27Å; S31-K34 PolarHBondContact O-N 3.24Å; S31-K34 VanDerWaalsContact O-N 3.09Å |
| 32 | I | 87.8 | Confident | 77.8 | Confident | 133 Ų | 133 | 106.7 Ų | 106.7 | 68% | 0.682 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.2 | -42.6 | 176.5 | -71.4 | 164 | 0 | 0 | 0 | 110.6 | R28 L29 K34 | R28-I32 WeakPolarHBondContact O-CD1 3.38Å; R28-I32 VanDerWaalsContact O-CG1 3.23Å; R28-I32 WeakPolarHBondContact O-CG1 3.42Å; R28-I32 PolarHBondContact O-N 3.39Å; L29-I32 PolarHBondContact O-N 2.95Å; I32-K34 PolarHBondContact O-N 2.92Å |
| 33 | L | 85.4 | Confident | 76.1 | Confident | 118 Ų | 118 | 110.7 Ų | 110.7 | 62% | 0.618 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -6 | 179.1 | -134 | 159 | 0 | 0 | 0 | 112.1 | L29 K30 S31 L35 | L29-L33 PolarHBondContact O-N 3.42Å; L29-L33 VanDerWaalsContact O-N 3.11Å; K30-L33 PolarHBondContact O-N 3.12Å; S31-L33 VanDerWaalsContact C-N 3.31Å; S31-L33 PolarHBondContact O-N 3.27Å; L33-L35 HydrophobicContact CB-CB 4.4Å; L33-L35 HydrophobicContact CB-CD1 3.78Å; L33-L35 HydrophobicContact CB-CG 3.74Å; L33-L35 HydrophobicContact CD1-CD1 3.66Å; L33-L35 HydrophobicContact CD1-CG 4.44Å; L33-L35 HydrophobicContact CD2-CD1 3.47Å; L33-L35 VanDerWaalsContact CD2-CD1 3.47Å; L33-L35 HydrophobicContact CD2-CD2 3.83Å; L33-L35 HydrophobicContact CD2-CG 3.44Å; L33-L35 VanDerWaalsContact CD2-CG 3.44Å; L33-L35 HydrophobicContact CG-CD1 3.75Å; L33-L35 HydrophobicContact CG-CG 3.97Å; L33-L35 PolarHBondContact O-N 3.05Å |
| 34 | K | 78.7 | Confident | 74.5 | Confident | 185 Ų | 185 | 111 Ų | 111 | 80% | 0.804 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 48.8 | 29.8 | -172.3 | -58.6 | 178.7 | -179.1 | 177.9 | 0 | 112.2 | K30 S31 I32 E36 | K30-K34 PolarHBondContact O-N 3.36Å; K30-K34 VanDerWaalsContact O-N 3.1Å; S31-K34 PolarHBondContact O-N 3.24Å; S31-K34 VanDerWaalsContact O-N 3.09Å; I32-K34 PolarHBondContact O-N 2.92Å; K34-E36 PolarHBondContact O-N 2.94Å |
| 35 | L | 65.9 | Low | 73 | Confident | 62 Ų | 62 | 112 Ų | 112 | 33% | 0.325 | 57% | 0.574 | S | S | . | * | trans | -87.2 | 91.5 | 177.2 | -67.1 | 173.9 | 0 | 0 | 0 | 108 | K30 L33 G37 V39 | K30-L35 PolarHBondContact O-N 3.16Å; L33-L35 HydrophobicContact CB-CB 4.4Å; L33-L35 HydrophobicContact CB-CD1 3.78Å; L33-L35 HydrophobicContact CB-CG 3.74Å; L33-L35 HydrophobicContact CD1-CD1 3.66Å; L33-L35 HydrophobicContact CD1-CG 4.44Å; L33-L35 HydrophobicContact CD2-CD1 3.47Å; L33-L35 VanDerWaalsContact CD2-CD1 3.47Å; L33-L35 HydrophobicContact CD2-CD2 3.83Å; L33-L35 HydrophobicContact CD2-CG 3.44Å; L33-L35 VanDerWaalsContact CD2-CG 3.44Å; L33-L35 HydrophobicContact CG-CD1 3.75Å; L33-L35 HydrophobicContact CG-CG 3.97Å; L33-L35 PolarHBondContact O-N 3.05Å; L35-G37 PolarHBondContact O-N 3.27Å; L35-G37 VanDerWaalsContact O-N 3.07Å; L35-V39 HydrophobicContact CB-CG2 4.06Å; L35-V39 HydrophobicContact CD1-CB 4.28Å; L35-V39 HydrophobicContact CD1-CG2 3.29Å; L35-V39 HydrophobicContact CD2-CG2 3.45Å; L35-V39 VanDerWaalsContact CD2-CG2 3.45Å; L35-V39 HydrophobicContact CG-CG2 3.74Å | ||
| 36 | E | 58.4 | Low | 71.5 | Confident | 206 Ų | 206 | 113.8 Ų | 113.8 | 96% | 0.963 | 58% | 0.582 | S | S | * | * | trans | -79.8 | 77.6 | 163.6 | -72 | -168.7 | 163.2 | 0 | 0 | 108.7 | K34 | K34-E36 PolarHBondContact O-N 2.94Š| ||
| 37 | G | 61.3 | Low | 70.1 | Confident | 40 Ų | 40 | 114.5 Ų | 114.5 | 41% | 0.412 | 59% | 0.585 | S | S | . | * | S | Bend | trans | 163.2 | 152.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L35 V39 | L35-G37 PolarHBondContact O-N 3.27Å; L35-G37 VanDerWaalsContact O-N 3.07Å; G37-V39 PolarHBondContact O-N 3.01Å |
| 38 | D | 58.3 | Low | 68.6 | Low | 128 Ų | 128 | 114.7 Ų | 114.7 | 68% | 0.684 | 59% | 0.591 | S | S | * | * | trans | -65.5 | 106.5 | 158.2 | -73.3 | -24.1 | 0 | 0 | 0 | 106.2 | K30 L40 | K30-D38 IonicContact NZ-OD1 2.79Å; K30-D38 PolarHBondContact NZ-OD1 2.97Å; D38-L40 PolarHBondContact O-N 3.16Å | ||
| 39 | V | 58.1 | Low | 67 | Low | 73 Ų | 73 | 112.4 Ų | 112.4 | 44% | 0.442 | 60% | 0.595 | S | S | . | * | trans | -64.6 | 83.9 | 170.9 | 176.3 | 0 | 0 | 0 | 0 | 107.2 | L35 G37 M41 | L35-V39 HydrophobicContact CB-CG2 4.06Å; L35-V39 HydrophobicContact CD1-CB 4.28Å; L35-V39 HydrophobicContact CD1-CG2 3.29Å; L35-V39 HydrophobicContact CD2-CG2 3.45Å; L35-V39 VanDerWaalsContact CD2-CG2 3.45Å; L35-V39 HydrophobicContact CG-CG2 3.74Å; G37-V39 PolarHBondContact O-N 3.01Å; V39-M41 VanDerWaalsContact C-N 3.33Å; V39-M41 HydrophobicContact CG1-CE 3.94Å; V39-M41 HydrophobicContact CG1-CG 4.47Å; V39-M41 HydrophobicContact CG1-SD 4.37Å; V39-M41 PolarHBondContact O-N 2.95Å | ||
| 40 | L | 57.2 | Low | 65.6 | Low | 108 Ų | 108 | 113 Ų | 113 | 57% | 0.565 | 60% | 0.603 | S | S | * | * | trans | -57.3 | 106 | 154.5 | -80.3 | 165 | 0 | 0 | 0 | 104.9 | D38 K42 | D38-L40 PolarHBondContact O-N 3.16Å; L40-K42 HydrophobicContact CB-CB 4.38Å; L40-K42 HydrophobicContact CB-CD 3.94Å; L40-K42 HydrophobicContact CB-CG 3.91Å; L40-K42 HydrophobicContact CD1-CD 4.04Å; L40-K42 HydrophobicContact CD2-CD 4.48Å; L40-K42 HydrophobicContact CD2-CG 4.49Å; L40-K42 HydrophobicContact CG-CD 4.38Å; L40-K42 PolarHBondContact O-N 3.46Å | ||
| 41 | M | 58 | Low | 64 | Low | 126 Ų | 126 | 113.4 Ų | 113.4 | 62% | 0.621 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | 41.8 | 165.6 | -67.6 | -80.4 | 170.9 | 0 | 0 | 110.6 | V39 V44 Q45 | V39-M41 VanDerWaalsContact C-N 3.33Å; V39-M41 HydrophobicContact CG1-CE 3.94Å; V39-M41 HydrophobicContact CG1-CG 4.47Å; V39-M41 HydrophobicContact CG1-SD 4.37Å; V39-M41 PolarHBondContact O-N 2.95Å; M41-V44 HydrophobicContact CB-CB 4.45Å; M41-V44 HydrophobicContact SD-CG2 3.87Å; M41-Q45 PolarHBondContact O-N 3.43Å |
| 42 | K | 61.6 | Low | 62.6 | Low | 118 Ų | 118 | 115.6 Ų | 115.6 | 51% | 0.513 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -69.4 | -40.8 | 176.7 | -83.9 | 175.8 | 176.8 | -174.8 | 0 | 109.9 | L40 V44 Q45 E46 | L40-K42 HydrophobicContact CB-CB 4.38Å; L40-K42 HydrophobicContact CB-CD 3.94Å; L40-K42 HydrophobicContact CB-CG 3.91Å; L40-K42 HydrophobicContact CD1-CD 4.04Å; L40-K42 HydrophobicContact CD2-CD 4.48Å; L40-K42 HydrophobicContact CD2-CG 4.49Å; L40-K42 HydrophobicContact CG-CD 4.38Å; L40-K42 PolarHBondContact O-N 3.46Å; K42-V44 PolarHBondContact O-N 3.12Å; K42-Q45 WeakPolarHBondContact O-CA 3.47Å; K42-Q45 VanDerWaalsContact O-CB 3.23Å; K42-Q45 WeakPolarHBondContact O-CB 3.07Å; K42-Q45 PolarHBondContact O-N 2.93Å; K42-E46 PolarHBondContact O-N 3.29Å; K42-E46 VanDerWaalsContact O-N 3.12Å |
| 43 | D | 58.1 | Low | 60.9 | Low | 124 Ų | 124 | 114.8 Ų | 114.8 | 66% | 0.663 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -63.1 | -31.8 | 177.9 | -53.1 | -10.1 | 0 | 0 | 0 | 111.8 | I47 | D43-I47 WeakPolarHBondContact O-CD1 3.19Å; D43-I47 VanDerWaalsContact O-CG1 3.31Å; D43-I47 WeakPolarHBondContact O-CG1 3.44Å |
| 44 | V | 59 | Low | 59.1 | Low | 83 Ų | 83 | 118 Ų | 118 | 50% | 0.503 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -78 | -28.8 | 173.6 | -176.9 | 0 | 0 | 0 | 0 | 111.8 | M41 K42 I47 A48 | M41-V44 HydrophobicContact CB-CB 4.45Å; M41-V44 HydrophobicContact SD-CG2 3.87Å; K42-V44 PolarHBondContact O-N 3.12Å; V44-I47 PolarHBondContact O-N 3.4Å; V44-A48 WeakPolarHBondContact O-CB 3.31Å; V44-A48 PolarHBondContact O-N 3.23Å |
| 45 | Q | 60.1 | Low | 57.8 | Low | 133 Ų | 133 | 121.2 Ų | 121.2 | 62% | 0.621 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -67.5 | -38.4 | 177.9 | -123.2 | 170.4 | -8.3 | 0 | 0 | 111.9 | M41 K42 T49 | M41-Q45 PolarHBondContact O-N 3.43Å; K42-Q45 WeakPolarHBondContact O-CA 3.47Å; K42-Q45 VanDerWaalsContact O-CB 3.23Å; K42-Q45 WeakPolarHBondContact O-CB 3.07Å; K42-Q45 PolarHBondContact O-N 2.93Å; Q45-T49 WeakPolarHBondContact O-CG2 3.43Å; Q45-T49 PolarHBondContact O-N 3.24Å; Q45-T49 PolarHBondContact O-OG1 2.73Å |
| 46 | E | 60.6 | Low | 56.8 | Low | 140 Ų | 140 | 126.9 Ų | 126.9 | 65% | 0.654 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -66.8 | -40.9 | 173 | -74.6 | -177.8 | 172.5 | 0 | 0 | 111.8 | K42 A48 T49 V50 | K42-E46 PolarHBondContact O-N 3.29Å; K42-E46 VanDerWaalsContact O-N 3.12Å; E46-A48 PolarHBondContact O-N 2.96Å; E46-T49 PolarHBondContact O-N 3.27Å; E46-T49 PolarHBondContact O-OG1 3.29Å; E46-V50 WeakPolarHBondContact O-CG2 3.24Å; E46-V50 PolarHBondContact O-N 2.95Å |
| 47 | I | 59.2 | Low | 55.9 | Low | 117 Ų | 117 | 124.4 Ų | 124.4 | 60% | 0.6 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -68.2 | -37.1 | 178.5 | -62 | 165.7 | 0 | 0 | 0 | 111.7 | D43 V44 T49 | D43-I47 WeakPolarHBondContact O-CD1 3.19Å; D43-I47 VanDerWaalsContact O-CG1 3.31Å; D43-I47 WeakPolarHBondContact O-CG1 3.44Å; V44-I47 PolarHBondContact O-N 3.4Å; I47-T49 PolarHBondContact O-N 3.37Å |
| 48 | A | 57.1 | Low | 54.8 | Low | 74 Ų | 74 | 128.6 Ų | 128.6 | 61% | 0.612 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -73.6 | -23.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | V44 E46 | V44-A48 WeakPolarHBondContact O-CB 3.31Å; V44-A48 PolarHBondContact O-N 3.23Å; E46-A48 PolarHBondContact O-N 2.96Å |
| 49 | T | 59.1 | Low | 54.1 | Low | 114 Ų | 114 | 130 Ų | 130 | 70% | 0.699 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -85.6 | -27.9 | -179.9 | 44.2 | 0 | 0 | 0 | 0 | 112.9 | Q45 E46 I47 | Q45-T49 WeakPolarHBondContact O-CG2 3.43Å; Q45-T49 PolarHBondContact O-N 3.24Å; Q45-T49 PolarHBondContact O-OG1 2.73Å; E46-T49 PolarHBondContact O-N 3.27Å; E46-T49 PolarHBondContact O-OG1 3.29Å; I47-T49 PolarHBondContact O-N 3.37Å |
| 50 | V | 60.3 | Low | 53.2 | Low | 122 Ų | 122 | 135.8 Ų | 135.8 | 74% | 0.739 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -87.2 | -18.7 | -177.4 | 179 | 0 | 0 | 0 | 0 | 113.1 | E46 | E46-V50 WeakPolarHBondContact O-CG2 3.24Å; E46-V50 PolarHBondContact O-N 2.95Å |
| 51 | V | 53.9 | Low | 52.3 | Low | 98 Ų | 98 | 140.3 Ų | 140.3 | 59% | 0.594 | 71% | 0.713 | S | S | * | * | trans | -109.4 | 104.2 | -176.9 | -176.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 52 | V | 57.4 | Low | 51.3 | Low | 126 Ų | 126 | 142.4 Ų | 142.4 | 76% | 0.764 | 72% | 0.724 | S | S | * | * | trans | -56.4 | 128.4 | 166.1 | 177.8 | 0 | 0 | 0 | 0 | 109.1 | K54 | V52-K54 PolarHBondContact O-N 3.44Š| ||
| 53 | P | 51 | Low | 49.8 | Very low | 115 Ų | 115 | 145.6 Ų | 145.6 | 75% | 0.747 | 74% | 0.74 | S | S | * | * | trans | -73.8 | 102.7 | -173.4 | -2.1 | 14 | 0 | 0 | 0 | 111.5 | R55 | P53-R55 PolarHBondContact O-N 3.05Š| ||
| 54 | K | 47.6 | Very low | 48.7 | Very low | 186 Ų | 186 | 144.3 Ų | 144.3 | 81% | 0.809 | 74% | 0.74 | S | S | * | * | trans | -75.6 | 109.9 | 156 | -76.2 | -174.8 | 179.2 | 173.8 | 0 | 107.6 | V52 K56 | V52-K54 PolarHBondContact O-N 3.44Å; K54-K56 PolarHBondContact O-N 3.24Å | ||
| 55 | R | 51.3 | Low | 47.5 | Very low | 252 Ų | 252 | 149.1 Ų | 149.1 | 95% | 0.951 | 76% | 0.757 | S | S | * | * | trans | -57.1 | 100.9 | 172.5 | -66.5 | -174.9 | 179 | -171.2 | 0.5 | 109.3 | P53 | P53-R55 PolarHBondContact O-N 3.05Š| ||
| 56 | K | 45.8 | Very low | 46.4 | Very low | 181 Ų | 181 | 148.3 Ų | 148.3 | 79% | 0.787 | 76% | 0.761 | S | S | * | * | trans | -128.2 | 106.9 | 168.1 | -71 | -162.5 | 176.8 | -172.5 | 0 | 109.7 | K54 | K54-K56 PolarHBondContact O-N 3.24Š| ||
| 57 | H | 39 | Very low | 45.3 | Very low | 155 Ų | 155 | 150.7 Ų | 150.7 | 72% | 0.718 | 77% | 0.769 | S | S | * | * | trans | -1.4 | 109.3 | 157.1 | -166.1 | 45.6 | 0 | 0 | 0 | 116.4 | Q59 | H57-Q59 PolarHBondContact NE2-NE2 3.03Å; H57-Q59 PolarHBondContact O-N 3.31Å; H57-Q59 VanDerWaalsContact O-N 3.11Å | ||
| 58 | C | 39.1 | Very low | 44.4 | Very low | 127 Ų | 127 | 152.3 Ų | 152.3 | 86% | 0.858 | 78% | 0.779 | S | S | * | * | trans | -65.7 | 101.6 | 165.5 | -62.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 59 | Q | 43.3 | Very low | 43.7 | Very low | 158 Ų | 158 | 157.6 Ų | 157.6 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | trans | -141.8 | 92.9 | 150.7 | -72.8 | -161.3 | 20 | 0 | 0 | 108.1 | H57 | H57-Q59 PolarHBondContact NE2-NE2 3.03Å; H57-Q59 PolarHBondContact O-N 3.31Å; H57-Q59 VanDerWaalsContact O-N 3.11Å | ||
| 60 | E | 38.3 | Very low | 43 | Very low | 194 Ų | 194 | 161.8 Ų | 161.8 | 91% | 0.907 | 80% | 0.8 | S | S | * | * | trans | -145 | 132.4 | 156.5 | -136.9 | 168.1 | -167.8 | 0 | 0 | 110.6 | M62 | E60-M62 PolarHBondContact O-N 3.23Š| ||
| 61 | K | 39.3 | Very low | 41.9 | Very low | 203 Ų | 203 | 162.9 Ų | 162.9 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | trans | -75.8 | 116.7 | -165.1 | -63.8 | 169.2 | 177.9 | 171.8 | 0 | 108.3 | Q63 | K61-Q63 PolarHBondContact O-N 3.29Š| ||
| 62 | M | 35.4 | Very low | 41.6 | Very low | 171 Ų | 171 | 165.9 Ų | 165.9 | 84% | 0.842 | 81% | 0.814 | S | S | * | * | trans | -71.4 | 100.8 | 166.6 | -72.4 | -172.9 | 72.8 | 0 | 0 | 108.9 | E60 C64 | E60-M62 PolarHBondContact O-N 3.23Å; M62-C64 PolarHBondContact O-N 3.39Å | ||
| 63 | Q | 31.8 | Very low | 41.1 | Very low | 184 Ų | 184 | 167.3 Ų | 167.3 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | -79.6 | 96.9 | 166.5 | -157.5 | 162.2 | 19 | 0 | 0 | 106.9 | K61 E65 | K61-Q63 PolarHBondContact O-N 3.29Å; Q63-E65 PolarHBondContact O-N 2.93Å | ||
| 64 | C | 33.8 | Very low | 41.2 | Very low | 98 Ų | 98 | 170.5 Ų | 170.5 | 66% | 0.662 | 82% | 0.817 | S | S | * | * | trans | -84.2 | 104.5 | 170 | -74 | 0 | 0 | 0 | 0 | 108.4 | M62 V66 | M62-C64 PolarHBondContact O-N 3.39Å; C64-V66 PolarHBondContact O-N 3.2Å | ||
| 65 | E | 34.3 | Very low | 41.5 | Very low | 183 Ų | 183 | 167.3 Ų | 167.3 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | trans | -66.5 | 108.3 | 161.4 | -73.7 | -177.4 | 165.9 | 0 | 0 | 108.6 | Q63 K67 | Q63-E65 PolarHBondContact O-N 2.93Å; E65-K67 PolarHBondContact O-N 3.22Å | ||
| 66 | V | 37.3 | Very low | 41.8 | Very low | 116 Ų | 116 | 159.1 Ų | 159.1 | 70% | 0.703 | 78% | 0.779 | S | S | * | * | trans | -82.8 | 109.5 | 169.1 | 177.3 | 0 | 0 | 0 | 0 | 106.5 | C64 D68 | C64-V66 PolarHBondContact O-N 3.2Å; V66-D68 PolarHBondContact O-N 3.08Å | ||
| 67 | K | 37.1 | Very low | 42.3 | Very low | 190 Ų | 190 | 155.4 Ų | 155.4 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | trans | -70.8 | 114.3 | 162.8 | -82.9 | -179.5 | 174.9 | 177 | 0 | 107.7 | E65 E69 | E65-K67 PolarHBondContact O-N 3.22Å; K67-E69 PolarHBondContact O-N 3Å | ||
| 68 | D | 40.5 | Very low | 43.2 | Very low | 152 Ų | 152 | 154 Ų | 154 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | trans | -65.7 | 94.6 | 171.5 | -72.1 | -54.8 | 0 | 0 | 0 | 110 | V66 | V66-D68 PolarHBondContact O-N 3.08Š| ||
| 69 | E | 41.8 | Very low | 44.6 | Very low | 184 Ų | 184 | 150.9 Ų | 150.9 | 86% | 0.86 | 74% | 0.743 | S | S | * | * | trans | -86.2 | 108.9 | 155.4 | -79 | -177 | 177.5 | 0 | 0 | 108.1 | K67 D71 | K67-E69 PolarHBondContact O-N 3Å; E69-D71 PolarHBondContact O-N 3.3Å | ||
| 70 | K | 44.1 | Very low | 46 | Very low | 202 Ų | 202 | 151.5 Ų | 151.5 | 88% | 0.878 | 74% | 0.743 | S | S | * | * | trans | -74.5 | 72 | -174.1 | -152.7 | 178.6 | -164.5 | 175.9 | 0 | 109.4 | ||||
| 71 | D | 36.9 | Very low | 47.9 | Very low | 146 Ų | 146 | 145.3 Ų | 145.3 | 78% | 0.781 | 71% | 0.711 | S | S | * | * | trans | -80.8 | 118.5 | 162.2 | -98.5 | -27.4 | 0 | 0 | 0 | 108.3 | E69 M73 | E69-D71 PolarHBondContact O-N 3.3Å; D71-M73 PolarHBondContact O-N 3.05Å | ||
| 72 | D | 48.3 | Very low | 50 | Low | 160 Ų | 160 | 140.2 Ų | 140.2 | 86% | 0.856 | 69% | 0.694 | S | S | * | * | trans | -66 | 47.7 | 179.1 | -107.2 | -44.6 | 0 | 0 | 0 | 112.8 | K74 | D72-K74 PolarHBondContact O-N 3.24Š| ||
| 73 | M | 46.9 | Very low | 52.1 | Low | 156 Ų | 156 | 142.1 Ų | 142.1 | 77% | 0.768 | 70% | 0.698 | S | S | * | * | trans | -77.2 | 82.8 | 156.7 | -73.6 | -90.3 | 168.7 | 0 | 0 | 106.2 | D71 M75 | D71-M73 PolarHBondContact O-N 3.05Å; M73-M75 WeakPolarHBondContact O-CG 3.39Å; M73-M75 PolarHBondContact O-N 3.17Å | ||
| 74 | K | 52.4 | Low | 54.3 | Low | 183 Ų | 183 | 143.5 Ų | 143.5 | 80% | 0.796 | 70% | 0.701 | S | S | * | * | trans | -60.9 | 84 | 167.8 | -168.6 | 167.9 | -170.9 | 164.9 | 0 | 108 | D72 E76 | D72-K74 PolarHBondContact O-N 3.24Å; K74-E76 PolarHBondContact O-N 3.4Å | ||
| 75 | M | 54.6 | Low | 56.4 | Low | 118 Ų | 118 | 140.9 Ų | 140.9 | 58% | 0.581 | 68% | 0.682 | S | S | * | * | trans | -61.3 | 137.3 | -179.9 | -71.1 | -67.3 | -106 | 0 | 0 | 107.2 | M73 T77 D78 | M73-M75 WeakPolarHBondContact O-CG 3.39Å; M73-M75 PolarHBondContact O-N 3.17Å; M75-T77 HydrophobicContact CB-CG2 4.2Å; M75-T77 WeakPolarHBondContact CB-OG1 3.47Å; M75-T77 PolarHBondContact O-N 3.14Å; M75-D78 PolarHBondContact O-N 2.71Å | ||
| 76 | E | 57.5 | Low | 58.7 | Low | 81 Ų | 81 | 134.9 Ų | 134.9 | 38% | 0.379 | 66% | 0.655 | S | S | . | * | G | 310 helix | trans | -56.1 | -0.7 | 173.8 | -92.4 | -169.4 | -162.9 | 0 | 0 | 113.4 | K74 D78 I79 R81 I95 | K74-E76 PolarHBondContact O-N 3.4Å; E76-D78 VanDerWaalsContact C-N 3.35Å; E76-I79 HydrophobicContact CG-CD1 4.31Å; E76-R81 PolarHBondContact O-NH1 3.47Å; E76-R81 PolarHBondContact O-NH2 3.03Å; E76-R81 IonicContact OE2-NH2 3.47Å; E76-R81 PolarHBondContact OE2-NH2 2.85Å; E76-I95 WeakPolarHBondContact OE1-CD1 3.33Å; E76-I95 WeakPolarHBondContact OE1-CG1 3.26Å |
| 77 | T | 57.3 | Low | 61 | Low | 102 Ų | 102 | 130.3 Ų | 130.3 | 63% | 0.626 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -68.3 | -25.3 | 179.4 | 49.4 | 0 | 0 | 0 | 0 | 114 | M75 I79 | M75-T77 HydrophobicContact CB-CG2 4.2Å; M75-T77 WeakPolarHBondContact CB-OG1 3.47Å; M75-T77 PolarHBondContact O-N 3.14Å; T77-I79 VanDerWaalsContact C-N 3.25Å; T77-I79 PolarHBondContact O-N 3.23Å |
| 78 | D | 57.9 | Low | 63.4 | Low | 125 Ų | 125 | 122.6 Ų | 122.6 | 67% | 0.668 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -80.9 | -8.9 | -176.7 | -63.8 | -19.1 | 0 | 0 | 0 | 113.7 | M75 E76 K80 | M75-D78 PolarHBondContact O-N 2.71Å; E76-D78 VanDerWaalsContact C-N 3.35Å; D78-K80 PolarHBondContact O-N 2.82Å; D78-K80 VanDerWaalsContact O-N 3.14Å |
| 79 | I | 68 | Low | 65.5 | Low | 62 Ų | 62 | 122 Ų | 122 | 32% | 0.318 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -72.4 | 109.9 | 176.4 | -60.3 | 177.4 | 0 | 0 | 0 | 108.4 | E76 T77 R81 D88 | E76-I79 HydrophobicContact CG-CD1 4.31Å; T77-I79 VanDerWaalsContact C-N 3.25Å; T77-I79 PolarHBondContact O-N 3.23Å; I79-R81 HydrophobicContact CG2-CG 4.3Å; I79-R81 WeakPolarHBondContact O-CG 3.06Å; I79-R81 PolarHBondContact O-N 2.74Å; I79-R81 PolarHBondContact O-NH1 3.42Å; I79-D88 HydrophobicContact CG2-CB 4.21Å; I79-D88 WeakPolarHBondContact CG2-OD1 3.43Å; I79-D88 WeakPolarHBondContact CG2-OD2 3.06Å |
| 80 | K | 73.4 | Confident | 67.4 | Low | 171 Ų | 171 | 121 Ų | 121 | 74% | 0.743 | 58% | 0.582 | S | S | * | * | trans | -58 | 95.2 | 175.8 | -70.1 | -179.5 | -179.2 | 174.5 | 0 | 110.3 | D78 | D78-K80 PolarHBondContact O-N 2.82Å; D78-K80 VanDerWaalsContact O-N 3.14Å | ||
| 81 | R | 78.2 | Confident | 69.2 | Low | 64 Ų | 64 | 113.3 Ų | 113.3 | 24% | 0.242 | 56% | 0.56 | C | S | . | * | trans | -95.8 | 145.5 | 177.3 | -70.3 | 179.3 | -167.1 | 83 | -6.9 | 111.7 | E76 I79 K83 L87 | E76-R81 PolarHBondContact O-NH1 3.47Å; E76-R81 PolarHBondContact O-NH2 3.03Å; E76-R81 IonicContact OE2-NH2 3.47Å; E76-R81 PolarHBondContact OE2-NH2 2.85Å; I79-R81 HydrophobicContact CG2-CG 4.3Å; I79-R81 WeakPolarHBondContact O-CG 3.06Å; I79-R81 PolarHBondContact O-N 2.74Å; I79-R81 PolarHBondContact O-NH1 3.42Å; R81-K83 PolarHBondContact O-N 3.07Å; R81-L87 WeakPolarHBondContact CA-O 3.21Å | ||
| 82 | N | 81.8 | Confident | 71.7 | Confident | 96 Ų | 96 | 112.1 Ų | 112.1 | 51% | 0.513 | 55% | 0.55 | S | S | . | . | trans | -71.7 | 120.8 | 173.6 | -76.6 | -57.3 | 0 | 0 | 0 | 111.2 | K84 T85 L86 L87 | N82-K84 PolarHBondContact O-N 3.36Å; N82-K84 VanDerWaalsContact O-N 3.17Å; N82-T85 WeakPolarHBondContact CB-OG1 3.49Å; N82-T85 PolarHBondContact O-N 2.78Å; N82-L86 WeakPolarHBondContact O-CA 2.77Å; N82-L86 PolarHBondContact O-N 3.4Å; N82-L87 PolarHBondContact N-O 2.68Å | ||
| 83 | K | 79.3 | Confident | 73.7 | Confident | 212 Ų | 212 | 105.2 Ų | 105.2 | 92% | 0.922 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -32.2 | -179.2 | -63.9 | -177.5 | -179.1 | -180 | 0 | 113.9 | R81 | R81-K83 PolarHBondContact O-N 3.07Š|
| 84 | K | 78.4 | Confident | 75.7 | Confident | 213 Ų | 213 | 98 Ų | 98 | 93% | 0.926 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -36.5 | -177 | -64.9 | -174.9 | 179.3 | 179.8 | 0 | 113.7 | N82 | N82-K84 PolarHBondContact O-N 3.36Å; N82-K84 VanDerWaalsContact O-N 3.17Å |
| 85 | T | 78.4 | Confident | 77.3 | Confident | 43 Ų | 43 | 95.3 Ų | 95.3 | 26% | 0.264 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | -13.5 | -173.2 | 52.3 | 0 | 0 | 0 | 0 | 113.1 | N82 L87 R109 | N82-T85 WeakPolarHBondContact CB-OG1 3.49Å; N82-T85 PolarHBondContact O-N 2.78Å; T85-L87 PolarHBondContact O-N 3.1Å; T85-L87 VanDerWaalsContact O-N 3.1Å; T85-R109 VanDerWaalsContact CB-NH2 3.28Å; T85-R109 PolarHBondContact O-NH2 3.46Å |
| 86 | L | 82.3 | Confident | 78.7 | Confident | 57 Ų | 57 | 98.2 Ų | 98.2 | 30% | 0.298 | 47% | 0.474 | S | S | . | . | trans | 51.7 | 23.7 | -172.8 | -156.2 | 68.1 | 0 | 0 | 0 | 113.4 | N82 P94 W96 M97 | N82-L86 WeakPolarHBondContact O-CA 2.77Å; N82-L86 PolarHBondContact O-N 3.4Å; L86-P94 HydrophobicContact CD2-CG 4.22Å; L86-P94 HydrophobicContact CG-CG 4.16Å; L86-W96 HydrophobicContact CD2-CH2 4.32Å; L86-W96 HydrophobicContact CD2-CZ2 4.43Å; L86-M97 HydrophobicContact CD2-CE 3.36Å | ||
| 87 | L | 86.6 | Confident | 80.1 | Confident | 19 Ų | 19 | 95 Ų | 95 | 10% | 0.099 | 46% | 0.459 | C | S | . | . | trans | -93 | 146.5 | 177.4 | -68.5 | -174.7 | 0 | 0 | 0 | 110.5 | R81 N82 T85 G91 Y93 | R81-L87 WeakPolarHBondContact CA-O 3.21Å; N82-L87 PolarHBondContact N-O 2.68Å; T85-L87 PolarHBondContact O-N 3.1Å; T85-L87 VanDerWaalsContact O-N 3.1Å; L87-G91 WeakPolarHBondContact CD2-O 3.45Å; L87-Y93 HydrophobicContact CD2-CD1 3.59Å; L87-Y93 HydrophobicContact CD2-CD2 3.79Å; L87-Y93 HydrophobicContact CD2-CE1 3.47Å; L87-Y93 VanDerWaalsContact CD2-CE1 3.47Å; L87-Y93 HydrophobicContact CD2-CE2 3.68Å; L87-Y93 HydrophobicContact CD2-CG 3.75Å; L87-Y93 HydrophobicContact CG-CE1 4.32Å | ||
| 88 | D | 86.7 | Confident | 81.8 | Confident | 29 Ų | 29 | 94.7 Ų | 94.7 | 16% | 0.155 | 45% | 0.454 | C | S | . | . | trans | -72.3 | 170.6 | 166.1 | -165.9 | 4.9 | 0 | 0 | 0 | 112.1 | I79 H90 G91 Q92 | I79-D88 HydrophobicContact CG2-CB 4.21Å; I79-D88 WeakPolarHBondContact CG2-OD1 3.43Å; I79-D88 WeakPolarHBondContact CG2-OD2 3.06Å; D88-H90 PolarHBondContact O-N 3.47Å; D88-H90 IonicContact OD2-CD2 3.99Å; D88-G91 WeakPolarHBondContact O-CA 3.42Å; D88-G91 PolarHBondContact O-N 3.18Å; D88-Q92 PolarHBondContact N-O 2.99Å | ||
| 89 | Q | 84.6 | Confident | 83.4 | Confident | 140 Ų | 140 | 94.3 Ų | 94.3 | 65% | 0.654 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -38.2 | 171.4 | -58.4 | -177.7 | 12.5 | 0 | 0 | 111.7 | G91 | Q89-G91 VanDerWaalsContact C-N 3.25Å; Q89-G91 PolarHBondContact O-N 3.38Å |
| 90 | H | 81.4 | Confident | 84.6 | Confident | 162 Ų | 162 | 100.3 Ų | 100.3 | 75% | 0.75 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | 3.3 | 175.3 | -55.8 | -66.1 | 0 | 0 | 0 | 113.8 | D88 Q92 | D88-H90 PolarHBondContact O-N 3.47Å; D88-H90 IonicContact OD2-CD2 3.99Å; H90-Q92 VanDerWaalsContact C-N 3.3Å; H90-Q92 PolarHBondContact O-N 3.41Å |
| 91 | G | 83.2 | Confident | 85.4 | Confident | 41 Ų | 41 | 96.6 Ų | 96.6 | 42% | 0.423 | 45% | 0.452 | S | S | . | . | S | Bend | trans | 75.9 | 14.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L87 D88 Q89 | L87-G91 WeakPolarHBondContact CD2-O 3.45Å; D88-G91 WeakPolarHBondContact O-CA 3.42Å; D88-G91 PolarHBondContact O-N 3.18Å; Q89-G91 VanDerWaalsContact C-N 3.25Å; Q89-G91 PolarHBondContact O-N 3.38Å |
| 92 | Q | 88.8 | Confident | 86 | Confident | 121 Ų | 121 | 97.6 Ų | 97.6 | 57% | 0.565 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -88 | 146.1 | 178.2 | -171.4 | 147.4 | -18.3 | 0 | 0 | 111.8 | D88 H90 | D88-Q92 PolarHBondContact N-O 2.99Å; H90-Q92 VanDerWaalsContact C-N 3.3Å; H90-Q92 PolarHBondContact O-N 3.41Å |
| 93 | Y | 89.2 | Confident | 86.5 | Confident | 15 Ų | 15 | 99.5 Ų | 99.5 | 6% | 0.059 | 46% | 0.46 | C | S | . | . | P | Polyproline II helix | trans | -86.7 | 155.3 | 172 | -72.5 | -78.4 | 0 | 0 | 0 | 110.4 | L87 M97 R102 L105 K106 | L87-Y93 HydrophobicContact CD2-CD1 3.59Å; L87-Y93 HydrophobicContact CD2-CD2 3.79Å; L87-Y93 HydrophobicContact CD2-CE1 3.47Å; L87-Y93 VanDerWaalsContact CD2-CE1 3.47Å; L87-Y93 HydrophobicContact CD2-CE2 3.68Å; L87-Y93 HydrophobicContact CD2-CG 3.75Å; L87-Y93 HydrophobicContact CG-CE1 4.32Å; Y93-M97 HydrophobicContact CD1-SD 3.83Å; Y93-M97 HydrophobicContact CG-SD 4.35Å; Y93-R102 VanDerWaalsContact CB-CD 3.43Å; Y93-R102 HydrophobicContact CD1-CG 4.4Å; Y93-R102 HydrophobicContact CD2-CB 4.03Å; Y93-R102 HydrophobicContact CD2-CG 3.89Å; Y93-R102 HydrophobicContact CE2-CB 4.35Å; Y93-R102 HydrophobicContact CG-CB 4.36Å; Y93-R102 HydrophobicContact CG-CG 3.77Å; Y93-L105 HydrophobicContact CE1-CB 4.34Å; Y93-L105 HydrophobicContact CE1-CD1 4.13Å; Y93-K106 HydrophobicContact CE2-CD 4.35Å; Y93-K106 HydrophobicContact CE2-CG 3.9Å |
| 94 | P | 89.5 | Confident | 87.1 | Confident | 4 Ų | 4 | 97.8 Ų | 97.8 | 3% | 0.026 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -56 | 145.6 | 177.3 | -23.1 | 32.5 | 0 | 0 | 0 | 113 | L86 W96 M97 | L86-P94 HydrophobicContact CD2-CG 4.22Å; L86-P94 HydrophobicContact CG-CG 4.16Å; P94-W96 VanDerWaalsContact C-N 3.3Å; P94-W96 HydrophobicContact CB-CD2 4.11Å; P94-W96 HydrophobicContact CB-CG 4.17Å; P94-W96 HydrophobicContact CB-CZ2 4.04Å; P94-W96 HydrophobicContact CG-CZ2 4.05Å; P94-W96 PolarHBondContact O-N 3.43Å; P94-M97 HydrophobicContact CB-CB 4.46Å; P94-M97 VanDerWaalsContact O-CB 3.26Å; P94-M97 WeakPolarHBondContact O-CB 3.38Å; P94-M97 PolarHBondContact O-N 3.42Å |
| 95 | I | 85.8 | Confident | 87.6 | Confident | 127 Ų | 127 | 90.7 Ų | 90.7 | 65% | 0.651 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -36.1 | -176 | -58.7 | -174.8 | 0 | 0 | 0 | 111.4 | E76 M97 | E76-I95 WeakPolarHBondContact OE1-CD1 3.33Å; E76-I95 WeakPolarHBondContact OE1-CG1 3.26Å; I95-M97 PolarHBondContact O-N 3.09Å |
| 96 | W | 85.2 | Confident | 88.1 | Confident | 179 Ų | 179 | 94.1 Ų | 94.1 | 68% | 0.678 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -14.1 | 175 | 61.6 | -102.1 | 0 | 0 | 0 | 113.5 | L86 P94 N98 | L86-W96 HydrophobicContact CD2-CH2 4.32Å; L86-W96 HydrophobicContact CD2-CZ2 4.43Å; P94-W96 VanDerWaalsContact C-N 3.3Å; P94-W96 HydrophobicContact CB-CD2 4.11Å; P94-W96 HydrophobicContact CB-CG 4.17Å; P94-W96 HydrophobicContact CB-CZ2 4.04Å; P94-W96 HydrophobicContact CG-CZ2 4.05Å; P94-W96 PolarHBondContact O-N 3.43Å; W96-N98 PolarHBondContact O-N 3Å |
| 97 | M | 87.3 | Confident | 88.5 | Confident | 13 Ų | 13 | 93.4 Ų | 93.4 | 6% | 0.064 | 43% | 0.432 | C | S | . | . | S | Bend | trans | -79.2 | 119.1 | -179.2 | -172.7 | 175.4 | -87.7 | 0 | 0 | 111.6 | L86 Y93 P94 I95 Q101 R102 L105 | L86-M97 HydrophobicContact CD2-CE 3.36Å; Y93-M97 HydrophobicContact CD1-SD 3.83Å; Y93-M97 HydrophobicContact CG-SD 4.35Å; P94-M97 HydrophobicContact CB-CB 4.46Å; P94-M97 VanDerWaalsContact O-CB 3.26Å; P94-M97 WeakPolarHBondContact O-CB 3.38Å; P94-M97 PolarHBondContact O-N 3.42Å; I95-M97 PolarHBondContact O-N 3.09Å; M97-Q101 HydrophobicContact CG-CB 4.03Å; M97-Q101 HydrophobicContact SD-CB 4.44Å; M97-R102 HydrophobicContact CB-CG 4.26Å; M97-R102 HydrophobicContact CG-CG 3.78Å; M97-R102 PolarHBondContact O-NE 3.42Å; M97-R102 VanDerWaalsContact O-NE 3.16Å; M97-R102 HydrophobicContact SD-CG 3.81Å; M97-L105 HydrophobicContact CE-CD1 4Å; M97-L105 HydrophobicContact SD-CD1 3.95Å |
| 98 | N | 92 | Very high | 88.5 | Confident | 95 Ų | 95 | 100 Ų | 100 | 51% | 0.508 | 46% | 0.46 | S | S | . | . | trans | -57.1 | 139 | 179.5 | -173.3 | -38.8 | 0 | 0 | 0 | 111.9 | W96 R100 Q101 R102 | W96-N98 PolarHBondContact O-N 3Å; N98-R100 PolarHBondContact O-N 3.21Å; N98-R100 VanDerWaalsContact O-N 3.12Å; N98-R100 PolarHBondContact OD1-N 2.97Å; N98-Q101 HydrophobicContact CB-CG 4.41Å; N98-Q101 WeakPolarHBondContact O-CB 3.46Å; N98-Q101 PolarHBondContact O-N 3.12Å; N98-R102 PolarHBondContact O-N 3Å; N98-R102 VanDerWaalsContact O-N 3.09Å | ||
| 99 | Q | 91.4 | Very high | 88.4 | Confident | 117 Ų | 117 | 102.8 Ų | 102.8 | 55% | 0.547 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -51.8 | -36.6 | 179.6 | -162.5 | -175.6 | 28.1 | 0 | 0 | 113.4 | R102 K103 | Q99-R102 PolarHBondContact O-N 3.39Å; Q99-K103 WeakPolarHBondContact O-CG 3.42Å; Q99-K103 PolarHBondContact O-N 3.42Å |
| 100 | R | 93.1 | Very high | 88.3 | Confident | 188 Ų | 188 | 102.6 Ų | 102.6 | 71% | 0.709 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -66.1 | -39.9 | 177.3 | -69 | -174.5 | -177.3 | -93.1 | 1.2 | 112.2 | N98 K103 R104 | N98-R100 PolarHBondContact O-N 3.21Å; N98-R100 VanDerWaalsContact O-N 3.12Å; N98-R100 PolarHBondContact OD1-N 2.97Å; R100-K103 PolarHBondContact O-N 2.88Å; R100-R104 WeakPolarHBondContact O-CG 3.28Å; R100-R104 PolarHBondContact O-N 3.33Å |
| 101 | Q | 90.8 | Very high | 88.1 | Confident | 94 Ų | 94 | 102.3 Ų | 102.3 | 44% | 0.439 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -67.1 | -41.8 | 177.2 | -68.2 | 174.8 | -22.1 | 0 | 0 | 110.8 | M97 N98 K103 R104 L105 | M97-Q101 HydrophobicContact CG-CB 4.03Å; M97-Q101 HydrophobicContact SD-CB 4.44Å; N98-Q101 HydrophobicContact CB-CG 4.41Å; N98-Q101 WeakPolarHBondContact O-CB 3.46Å; N98-Q101 PolarHBondContact O-N 3.12Å; Q101-K103 PolarHBondContact O-N 3.16Å; Q101-R104 PolarHBondContact O-N 3.2Å; Q101-L105 PolarHBondContact O-N 2.85Å |
| 102 | R | 91.3 | Very high | 87.6 | Confident | 85 Ų | 85 | 102.3 Ų | 102.3 | 32% | 0.321 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -56 | -47.6 | 173.3 | -65 | -171.7 | -81.8 | 162.8 | -2.5 | 111.7 | Y93 M97 N98 Q99 L105 K106 | Y93-R102 VanDerWaalsContact CB-CD 3.43Å; Y93-R102 HydrophobicContact CD1-CG 4.4Å; Y93-R102 HydrophobicContact CD2-CB 4.03Å; Y93-R102 HydrophobicContact CD2-CG 3.89Å; Y93-R102 HydrophobicContact CE2-CB 4.35Å; Y93-R102 HydrophobicContact CG-CB 4.36Å; Y93-R102 HydrophobicContact CG-CG 3.77Å; M97-R102 HydrophobicContact CB-CG 4.26Å; M97-R102 HydrophobicContact CG-CG 3.78Å; M97-R102 PolarHBondContact O-NE 3.42Å; M97-R102 VanDerWaalsContact O-NE 3.16Å; M97-R102 HydrophobicContact SD-CG 3.81Å; N98-R102 PolarHBondContact O-N 3Å; N98-R102 VanDerWaalsContact O-N 3.09Å; Q99-R102 PolarHBondContact O-N 3.39Å; R102-L105 PolarHBondContact O-N 3.14Å; R102-K106 WeakPolarHBondContact O-CG 3.3Å; R102-K106 PolarHBondContact O-N 3.28Å; R102-K106 VanDerWaalsContact O-N 3.08Å |
| 103 | K | 91.9 | Very high | 86.7 | Confident | 136 Ų | 136 | 102.8 Ų | 102.8 | 59% | 0.591 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -61.8 | -43 | 176.7 | -72.4 | -177.6 | 178.6 | -174.9 | 0 | 112.5 | Q99 R100 Q101 K106 A107 | Q99-K103 WeakPolarHBondContact O-CG 3.42Å; Q99-K103 PolarHBondContact O-N 3.42Å; R100-K103 PolarHBondContact O-N 2.88Å; Q101-K103 PolarHBondContact O-N 3.16Å; K103-K106 PolarHBondContact O-N 3.49Å; K103-A107 WeakPolarHBondContact O-CB 3.37Å; K103-A107 PolarHBondContact O-N 2.93Å |
| 104 | R | 91.6 | Very high | 85.6 | Confident | 175 Ų | 175 | 104.1 Ų | 104.1 | 66% | 0.66 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.9 | -44.2 | 177.6 | -74 | 175.3 | 178.7 | 179.5 | 0.2 | 112.5 | R100 Q101 A107 K108 | R100-R104 WeakPolarHBondContact O-CG 3.28Å; R100-R104 PolarHBondContact O-N 3.33Å; Q101-R104 PolarHBondContact O-N 3.2Å; R104-A107 PolarHBondContact O-N 3.44Å; R104-K108 WeakPolarHBondContact O-CG 3.28Å; R104-K108 PolarHBondContact O-N 3.07Å |
| 105 | L | 89.6 | Confident | 84.4 | Confident | 65 Ų | 65 | 111 Ų | 111 | 34% | 0.34 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.3 | -40.6 | 179.1 | -72 | 174.4 | 0 | 0 | 0 | 112.3 | Y93 M97 Q101 R102 K108 R109 | Y93-L105 HydrophobicContact CE1-CB 4.34Å; Y93-L105 HydrophobicContact CE1-CD1 4.13Å; M97-L105 HydrophobicContact CE-CD1 4Å; M97-L105 HydrophobicContact SD-CD1 3.95Å; Q101-L105 PolarHBondContact O-N 2.85Å; R102-L105 PolarHBondContact O-N 3.14Å; L105-K108 PolarHBondContact O-N 3.39Å; L105-R109 PolarHBondContact O-N 2.82Å |
| 106 | K | 89.1 | Confident | 83.4 | Confident | 115 Ų | 115 | 108.4 Ų | 108.4 | 50% | 0.5 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57.8 | -50.7 | 172.4 | -73.7 | -172.8 | 178.9 | -167.8 | 0 | 111.4 | Y93 R102 K103 K108 R109 E110 | Y93-K106 HydrophobicContact CE2-CD 4.35Å; Y93-K106 HydrophobicContact CE2-CG 3.9Å; R102-K106 WeakPolarHBondContact O-CG 3.3Å; R102-K106 PolarHBondContact O-N 3.28Å; R102-K106 VanDerWaalsContact O-N 3.08Å; K103-K106 PolarHBondContact O-N 3.49Å; K106-K108 VanDerWaalsContact C-N 3.35Å; K106-K108 PolarHBondContact O-N 3.04Å; K106-R109 WeakPolarHBondContact O-CB 3.49Å; K106-R109 PolarHBondContact O-N 3.46Å; K106-E110 PolarHBondContact O-N 3.45Å |
| 107 | A | 89.1 | Confident | 82.6 | Confident | 41 Ų | 41 | 107 Ų | 107 | 34% | 0.339 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.7 | -39.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | K103 R104 R109 E110 K111 | K103-A107 WeakPolarHBondContact O-CB 3.37Å; K103-A107 PolarHBondContact O-N 2.93Å; R104-A107 PolarHBondContact O-N 3.44Å; A107-R109 VanDerWaalsContact C-N 3.3Å; A107-R109 PolarHBondContact O-N 3.35Å; A107-E110 PolarHBondContact O-N 3.39Å; A107-K111 WeakPolarHBondContact O-CB 3.32Å; A107-K111 VanDerWaalsContact O-CG 3.3Å; A107-K111 WeakPolarHBondContact O-CG 3.24Å; A107-K111 PolarHBondContact O-N 3.1Å; A107-K111 VanDerWaalsContact O-N 3.08Å |
| 108 | K | 87.3 | Confident | 81.7 | Confident | 158 Ų | 158 | 108.8 Ų | 108.8 | 69% | 0.687 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.6 | -39.5 | 174.8 | -76.4 | -176.5 | 178.3 | -171.4 | 0 | 112 | R104 L105 K106 G112 | R104-K108 WeakPolarHBondContact O-CG 3.28Å; R104-K108 PolarHBondContact O-N 3.07Å; L105-K108 PolarHBondContact O-N 3.39Å; K106-K108 VanDerWaalsContact C-N 3.35Å; K106-K108 PolarHBondContact O-N 3.04Å; K108-G112 PolarHBondContact O-N 3.2Å |
| 109 | R | 83.9 | Confident | 80.5 | Confident | 88 Ų | 88 | 111.5 Ų | 111.5 | 33% | 0.332 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.4 | -43.8 | -180 | -165.7 | -177 | -58.2 | 176.3 | 7.6 | 112.2 | T85 L105 K106 A107 G112 K113 | T85-R109 VanDerWaalsContact CB-NH2 3.28Å; T85-R109 PolarHBondContact O-NH2 3.46Å; L105-R109 PolarHBondContact O-N 2.82Å; K106-R109 WeakPolarHBondContact O-CB 3.49Å; K106-R109 PolarHBondContact O-N 3.46Å; A107-R109 VanDerWaalsContact C-N 3.3Å; A107-R109 PolarHBondContact O-N 3.35Å; R109-G112 PolarHBondContact O-N 3.23Å; R109-K113 PolarHBondContact O-N 3.23Å |
| 110 | E | 82.5 | Confident | 79.6 | Confident | 135 Ų | 135 | 108.7 Ų | 108.7 | 63% | 0.631 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.3 | -41.7 | 178 | -72.3 | 172 | -179.6 | 0 | 0 | 111.7 | K106 A107 G112 K113 G114 | K106-E110 PolarHBondContact O-N 3.45Å; A107-E110 PolarHBondContact O-N 3.39Å; E110-G112 VanDerWaalsContact C-N 3.26Å; E110-G112 PolarHBondContact O-N 3.29Å; E110-K113 PolarHBondContact O-N 3.31Å; E110-G114 PolarHBondContact O-N 3.08Å; E110-G114 VanDerWaalsContact O-N 3.1Å |
| 111 | K | 78.6 | Confident | 78.8 | Confident | 156 Ų | 156 | 103.2 Ų | 103.2 | 68% | 0.678 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.1 | -33.6 | 174.8 | -73.7 | -179 | -179.3 | -167.7 | 0 | 113.2 | A107 | A107-K111 WeakPolarHBondContact O-CB 3.32Å; A107-K111 VanDerWaalsContact O-CG 3.3Å; A107-K111 WeakPolarHBondContact O-CG 3.24Å; A107-K111 PolarHBondContact O-N 3.1Å; A107-K111 VanDerWaalsContact O-N 3.08Å |
| 112 | G | 71.6 | Confident | 78 | Confident | 42 Ų | 42 | 104.9 Ų | 104.9 | 43% | 0.433 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.8 | -42.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | K108 R109 E110 K115 S116 | K108-G112 PolarHBondContact O-N 3.2Å; R109-G112 PolarHBondContact O-N 3.23Å; E110-G112 VanDerWaalsContact C-N 3.26Å; E110-G112 PolarHBondContact O-N 3.29Å; G112-K115 PolarHBondContact O-N 3.47Å; G112-S116 PolarHBondContact O-N 3.42Å |
| 113 | K | 70.4 | Confident | 77.3 | Confident | 130 Ų | 130 | 105.4 Ų | 105.4 | 57% | 0.565 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.2 | -35.4 | 179.1 | -66.9 | -174.6 | 176.4 | -171.5 | 0 | 113 | R109 E110 K115 S116 K117 | R109-K113 PolarHBondContact O-N 3.23Å; E110-K113 PolarHBondContact O-N 3.31Å; K113-K115 VanDerWaalsContact C-N 3.31Å; K113-K115 PolarHBondContact O-N 3.04Å; K113-S116 PolarHBondContact O-N 3.06Å; K113-S116 PolarHBondContact O-OG 3.35Å; K113-K117 WeakPolarHBondContact O-CG 3.44Å; K113-K117 PolarHBondContact O-N 3.03Å; K113-K117 VanDerWaalsContact O-N 3.07Å |
| 114 | G | 65.6 | Low | 76.5 | Confident | 43 Ų | 43 | 103.1 Ų | 103.1 | 44% | 0.443 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.3 | -37.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E110 A118 | E110-G114 PolarHBondContact O-N 3.08Å; E110-G114 VanDerWaalsContact O-N 3.1Å; G114-A118 VanDerWaalsContact O-CB 3.28Å; G114-A118 WeakPolarHBondContact O-CB 3.46Å; G114-A118 PolarHBondContact O-N 3.46Å |
| 115 | K | 65.3 | Low | 76 | Confident | 150 Ų | 150 | 101.9 Ų | 101.9 | 65% | 0.652 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -70.1 | -40.3 | 178.3 | -67.4 | -179.5 | -179.3 | -172 | 0 | 112.5 | G112 K113 K119 | G112-K115 PolarHBondContact O-N 3.47Å; K113-K115 VanDerWaalsContact C-N 3.31Å; K113-K115 PolarHBondContact O-N 3.04Å; K115-K119 WeakPolarHBondContact O-CB 3.44Å; K115-K119 VanDerWaalsContact O-CG 3.28Å; K115-K119 WeakPolarHBondContact O-CG 3.43Å; K115-K119 PolarHBondContact O-N 3.02Å |
| 116 | S | 65.1 | Low | 75.3 | Confident | 71 Ų | 71 | 101.9 Ų | 101.9 | 50% | 0.497 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -69.5 | -38.2 | 177.6 | 64.3 | 0 | 0 | 0 | 0 | 111.7 | G112 K113 K119 A120 | G112-S116 PolarHBondContact O-N 3.42Å; K113-S116 PolarHBondContact O-N 3.06Å; K113-S116 PolarHBondContact O-OG 3.35Å; S116-K119 PolarHBondContact O-N 3.44Å; S116-A120 VanDerWaalsContact O-CB 3.24Å; S116-A120 WeakPolarHBondContact O-CB 3.42Å; S116-A120 PolarHBondContact O-N 3.04Å |
| 117 | K | 66.8 | Low | 74.7 | Confident | 151 Ų | 151 | 102.7 Ų | 102.7 | 66% | 0.657 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -66.1 | -45.5 | 173.6 | -72.6 | -169.8 | 176.8 | -167.2 | 0 | 112.2 | K113 K119 A120 V121 | K113-K117 WeakPolarHBondContact O-CG 3.44Å; K113-K117 PolarHBondContact O-N 3.03Å; K113-K117 VanDerWaalsContact O-N 3.07Å; K117-K119 VanDerWaalsContact C-N 3.32Å; K117-K119 PolarHBondContact O-N 3.08Å; K117-A120 PolarHBondContact O-N 3.27Å; K117-V121 WeakPolarHBondContact O-CB 3.46Å; K117-V121 VanDerWaalsContact O-CG2 3.23Å; K117-V121 WeakPolarHBondContact O-CG2 3.4Å; K117-V121 PolarHBondContact O-N 2.97Å |
| 118 | A | 68.8 | Low | 73.5 | Confident | 50 Ų | 50 | 103.2 Ų | 103.2 | 41% | 0.413 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.7 | -38.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | G114 K122 | G114-A118 VanDerWaalsContact O-CB 3.28Å; G114-A118 WeakPolarHBondContact O-CB 3.46Å; G114-A118 PolarHBondContact O-N 3.46Å; A118-K122 WeakPolarHBondContact O-CB 3.25Å; A118-K122 WeakPolarHBondContact O-CG 3.23Å; A118-K122 PolarHBondContact O-N 3.22Å |
| 119 | K | 67.9 | Low | 71.9 | Confident | 151 Ų | 151 | 111 Ų | 111 | 66% | 0.657 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.7 | -46.6 | 172.1 | -76.6 | -173 | 175.8 | -161.5 | 0 | 111.8 | K115 S116 K117 V121 K122 V123 | K115-K119 WeakPolarHBondContact O-CB 3.44Å; K115-K119 VanDerWaalsContact O-CG 3.28Å; K115-K119 WeakPolarHBondContact O-CG 3.43Å; K115-K119 PolarHBondContact O-N 3.02Å; S116-K119 PolarHBondContact O-N 3.44Å; K117-K119 VanDerWaalsContact C-N 3.32Å; K117-K119 PolarHBondContact O-N 3.08Å; K119-V121 VanDerWaalsContact C-N 3.31Å; K119-V121 PolarHBondContact O-N 3.03Å; K119-K122 PolarHBondContact O-N 3.42Å; K119-K122 VanDerWaalsContact O-N 3.14Å; K119-V123 VanDerWaalsContact O-CG2 3.28Å; K119-V123 WeakPolarHBondContact O-CG2 3.42Å; K119-V123 PolarHBondContact O-N 3.03Å |
| 120 | A | 71.8 | Confident | 71.3 | Confident | 58 Ų | 58 | 112.2 Ų | 112.2 | 48% | 0.479 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -60.8 | -39.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S116 K117 V123 A124 | S116-A120 VanDerWaalsContact O-CB 3.24Å; S116-A120 WeakPolarHBondContact O-CB 3.42Å; S116-A120 PolarHBondContact O-N 3.04Å; K117-A120 PolarHBondContact O-N 3.27Å; A120-V123 PolarHBondContact O-N 3.25Å; A120-A124 VanDerWaalsContact O-CB 3.25Å; A120-A124 WeakPolarHBondContact O-CB 3.34Å; A120-A124 PolarHBondContact O-N 3.02Å |
| 121 | V | 76 | Confident | 70.7 | Confident | 74 Ų | 74 | 110.9 Ų | 110.9 | 45% | 0.448 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -67.7 | -38.3 | 174.7 | 171.5 | 0 | 0 | 0 | 0 | 111.6 | K117 K119 K125 | K117-V121 WeakPolarHBondContact O-CB 3.46Å; K117-V121 VanDerWaalsContact O-CG2 3.23Å; K117-V121 WeakPolarHBondContact O-CG2 3.4Å; K117-V121 PolarHBondContact O-N 2.97Å; K119-V121 VanDerWaalsContact C-N 3.31Å; K119-V121 PolarHBondContact O-N 3.03Å; V121-K125 HydrophobicContact CG1-CD 4.09Å; V121-K125 WeakPolarHBondContact O-CB 3.28Å; V121-K125 VanDerWaalsContact O-CG 3.26Å; V121-K125 WeakPolarHBondContact O-CG 3.26Å; V121-K125 PolarHBondContact O-N 2.83Å |
| 122 | K | 73.6 | Confident | 70.3 | Confident | 128 Ų | 128 | 108.4 Ų | 108.4 | 56% | 0.557 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67.1 | -40 | 174.5 | -77.8 | -176.8 | 178 | -168.2 | 0 | 112.4 | A118 K119 K125 G126 L127 A128 | A118-K122 WeakPolarHBondContact O-CB 3.25Å; A118-K122 WeakPolarHBondContact O-CG 3.23Å; A118-K122 PolarHBondContact O-N 3.22Å; K119-K122 PolarHBondContact O-N 3.42Å; K119-K122 VanDerWaalsContact O-N 3.14Å; K122-K125 PolarHBondContact O-N 3.36Å; K122-G126 PolarHBondContact O-N 2.98Å; K122-L127 PolarHBondContact O-N 2.83Å; K122-A128 HydrophobicContact CB-CB 4.48Å |
| 123 | V | 76.8 | Confident | 70.2 | Confident | 96 Ų | 96 | 112.4 Ų | 112.4 | 58% | 0.582 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -64.5 | -46.4 | 173.9 | 171.9 | 0 | 0 | 0 | 0 | 110.4 | K119 A120 K125 G126 A128 | K119-V123 VanDerWaalsContact O-CG2 3.28Å; K119-V123 WeakPolarHBondContact O-CG2 3.42Å; K119-V123 PolarHBondContact O-N 3.03Å; A120-V123 PolarHBondContact O-N 3.25Å; V123-K125 PolarHBondContact O-N 3.45Å; V123-G126 PolarHBondContact O-N 2.98Å; V123-A128 HydrophobicContact CG2-CB 3.99Å |
| 124 | A | 74.9 | Confident | 70.2 | Confident | 88 Ų | 88 | 111.3 Ų | 111.3 | 73% | 0.727 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -63.5 | -26.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A120 | A120-A124 VanDerWaalsContact O-CB 3.25Å; A120-A124 WeakPolarHBondContact O-CB 3.34Å; A120-A124 PolarHBondContact O-N 3.02Å |
| 125 | K | 81.7 | Confident | 70.5 | Confident | 149 Ų | 149 | 115.8 Ų | 115.8 | 65% | 0.648 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | 0.3 | 174.2 | -69.3 | 178.6 | 174.4 | -173.9 | 0 | 113.5 | V121 K122 V123 L127 | V121-K125 HydrophobicContact CG1-CD 4.09Å; V121-K125 WeakPolarHBondContact O-CB 3.28Å; V121-K125 VanDerWaalsContact O-CG 3.26Å; V121-K125 WeakPolarHBondContact O-CG 3.26Å; V121-K125 PolarHBondContact O-N 2.83Å; K122-K125 PolarHBondContact O-N 3.36Å; V123-K125 PolarHBondContact O-N 3.45Å; K125-L127 HydrophobicContact CB-CD1 3.51Å; K125-L127 WeakPolarHBondContact O-CD1 3.47Å; K125-L127 PolarHBondContact O-N 2.94Å |
| 126 | G | 74.1 | Confident | 70.8 | Confident | 65 Ų | 65 | 113.4 Ų | 113.4 | 67% | 0.67 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.5 | 14.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | K122 V123 A128 | K122-G126 PolarHBondContact O-N 2.98Å; V123-G126 PolarHBondContact O-N 2.98Å; G126-A128 VanDerWaalsContact C-N 3.33Å |
| 127 | L | 76.4 | Confident | 71.3 | Confident | 132 Ų | 132 | 116.6 Ų | 116.6 | 69% | 0.691 | 63% | 0.629 | S | S | * | * | trans | -87.6 | 0.5 | -180 | -86.4 | 105.1 | 0 | 0 | 0 | 113.6 | K122 K125 | K122-L127 PolarHBondContact O-N 2.83Å; K125-L127 HydrophobicContact CB-CD1 3.51Å; K125-L127 WeakPolarHBondContact O-CD1 3.47Å; K125-L127 PolarHBondContact O-N 2.94Å | ||
| 128 | A | 64.5 | Low | 71.7 | Confident | 53 Ų | 53 | 113.8 Ų | 113.8 | 44% | 0.438 | 63% | 0.627 | S | S | . | * | trans | -118.6 | 112.1 | 177 | 0 | 0 | 0 | 0 | 0 | 108.3 | K122 V123 G126 | K122-A128 HydrophobicContact CB-CB 4.48Å; V123-A128 HydrophobicContact CG2-CB 3.99Å; G126-A128 VanDerWaalsContact C-N 3.33Å | ||
| 129 | W | 53.6 | Low | 71.9 | Confident | 321 Ų | 321 | 119.5 Ų | 119.5 | 100% | 1.216 | 65% | 0.647 | S | S | * | * | trans | -92.6 | 0 | 163.4 | 69.7 | -64.9 | 0 | 0 | 0 | 108.8 |
Retrieved 129 of 129 residues in 19.7 ms
(Link to these results)