| 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 | 51.8 | Low | 70 | Confident | 209 Ų | 209 | 122.4 Ų | 122.4 | 100% | 1.03 | 62% | 0.623 | S | S | * | * | 0 | -31.4 | 0 | -98.2 | 176 | 97.1 | 0 | 0 | 115.3 | K3 | M1-K3 PolarHBondContact O-N 3.36Š| |||
| 2 | V | 56.2 | Low | 71.7 | Confident | 97 Ų | 97 | 118.7 Ų | 118.7 | 59% | 0.588 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66.3 | -31.2 | -174.8 | -177.9 | 0 | 0 | 0 | 0 | 114.4 | R6 | V2-R6 WeakPolarHBondContact O-CG 3.22Å; V2-R6 PolarHBondContact O-N 3.28Å |
| 3 | K | 56.7 | Low | 73.4 | Confident | 183 Ų | 183 | 116.7 Ų | 116.7 | 80% | 0.796 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -71.2 | -34.8 | -178.7 | -73 | -175.1 | 177 | -179.1 | 0 | 114 | M1 R6 G7 | M1-K3 PolarHBondContact O-N 3.36Å; K3-R6 PolarHBondContact O-N 3.32Å; K3-G7 PolarHBondContact O-N 3.35Å |
| 4 | A | 60.5 | Low | 74.8 | Confident | 75 Ų | 75 | 114.9 Ų | 114.9 | 62% | 0.62 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -70.3 | -40.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R6 G7 H8 | A4-R6 VanDerWaalsContact C-N 3.28Å; A4-R6 PolarHBondContact O-N 3.38Å; A4-G7 PolarHBondContact O-N 3.15Å; A4-H8 PolarHBondContact O-N 3.25Å; A4-H8 VanDerWaalsContact O-N 3.15Å |
| 5 | N | 65.2 | Low | 76.1 | Confident | 99 Ų | 99 | 113.8 Ų | 113.8 | 53% | 0.529 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.8 | -31.1 | 173.5 | -78.7 | 1.5 | 0 | 0 | 0 | 112.6 | N9 | N5-N9 VanDerWaalsContact O-CB 3.22Å; N5-N9 WeakPolarHBondContact O-CB 3.36Å; N5-N9 PolarHBondContact O-N 3.08Å; N5-N9 PolarHBondContact O-ND2 2.99Å |
| 6 | R | 67 | Low | 77.3 | Confident | 171 Ų | 171 | 113.8 Ų | 113.8 | 65% | 0.645 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -66.4 | -39 | 174.6 | -75.6 | -178.7 | -168 | 172.9 | 3 | 112.4 | V2 K3 A4 F10 | V2-R6 WeakPolarHBondContact O-CG 3.22Å; V2-R6 PolarHBondContact O-N 3.28Å; K3-R6 PolarHBondContact O-N 3.32Å; A4-R6 VanDerWaalsContact C-N 3.28Å; A4-R6 PolarHBondContact O-N 3.38Å; R6-F10 WeakPolarHBondContact O-CB 3.45Å; R6-F10 PolarHBondContact O-N 3.08Å; R6-F10 VanDerWaalsContact O-N 3.08Å |
| 7 | G | 75.2 | Confident | 78.4 | Confident | 40 Ų | 40 | 112.2 Ų | 112.2 | 41% | 0.412 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.2 | -49.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K3 A4 N9 F10 E11 | K3-G7 PolarHBondContact O-N 3.35Å; A4-G7 PolarHBondContact O-N 3.15Å; G7-N9 PolarHBondContact O-N 3.42Å; G7-F10 WeakPolarHBondContact O-CB 3.42Å; G7-F10 PolarHBondContact O-N 3.5Å; G7-F10 VanDerWaalsContact O-N 3.11Å; G7-E11 PolarHBondContact O-N 3.18Å |
| 8 | H | 77.3 | Confident | 79.4 | Confident | 114 Ų | 114 | 110.4 Ų | 110.4 | 53% | 0.528 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.3 | -39.6 | 177.5 | -179.7 | -80 | 0 | 0 | 0 | 112.7 | A4 F10 E11 L12 | A4-H8 PolarHBondContact O-N 3.25Å; A4-H8 VanDerWaalsContact O-N 3.15Å; H8-F10 VanDerWaalsContact C-N 3.3Å; H8-F10 PolarHBondContact O-N 2.99Å; H8-E11 PolarHBondContact O-N 3.47Å; H8-L12 WeakPolarHBondContact O-CB 3.39Å; H8-L12 PolarHBondContact O-N 3.11Å; H8-L12 VanDerWaalsContact O-N 3.08Å |
| 9 | N | 84.4 | Confident | 80.3 | Confident | 106 Ų | 106 | 111.5 Ų | 111.5 | 57% | 0.567 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67 | -32 | 175.2 | -72.2 | -16.7 | 0 | 0 | 0 | 112.6 | N5 G7 L13 | N5-N9 VanDerWaalsContact O-CB 3.22Å; N5-N9 WeakPolarHBondContact O-CB 3.36Å; N5-N9 PolarHBondContact O-N 3.08Å; N5-N9 PolarHBondContact O-ND2 2.99Å; G7-N9 PolarHBondContact O-N 3.42Å; N9-L13 WeakPolarHBondContact O-CB 3.45Å; N9-L13 PolarHBondContact O-N 3.19Å; N9-L13 VanDerWaalsContact O-N 3.15Å |
| 10 | F | 88.2 | Confident | 81.1 | Confident | 133 Ų | 133 | 112 Ų | 112 | 58% | 0.583 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -70.4 | -45 | 176.2 | 179.1 | -96.1 | 0 | 0 | 0 | 111.4 | R6 G7 H8 L12 L13 Q14 | R6-F10 WeakPolarHBondContact O-CB 3.45Å; R6-F10 PolarHBondContact O-N 3.08Å; R6-F10 VanDerWaalsContact O-N 3.08Å; G7-F10 WeakPolarHBondContact O-CB 3.42Å; G7-F10 PolarHBondContact O-N 3.5Å; G7-F10 VanDerWaalsContact O-N 3.11Å; H8-F10 VanDerWaalsContact C-N 3.3Å; H8-F10 PolarHBondContact O-N 2.99Å; F10-L12 PolarHBondContact O-N 3.14Å; F10-L13 WeakPolarHBondContact O-CB 3.48Å; F10-L13 PolarHBondContact O-N 3.15Å; F10-Q14 WeakPolarHBondContact O-CB 3.43Å; F10-Q14 PolarHBondContact O-N 3.5Å |
| 11 | E | 87.9 | Confident | 81.8 | Confident | 119 Ų | 119 | 109.7 Ų | 109.7 | 56% | 0.556 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.6 | -43 | 177.4 | -171.9 | 169.2 | -160.6 | 0 | 0 | 111.9 | G7 H8 L13 Q14 E15 | G7-E11 PolarHBondContact O-N 3.18Å; H8-E11 PolarHBondContact O-N 3.47Å; E11-L13 VanDerWaalsContact C-N 3.28Å; E11-L13 PolarHBondContact O-N 3.36Å; E11-Q14 WeakPolarHBondContact O-CB 3.47Å; E11-Q14 PolarHBondContact O-N 2.85Å; E11-Q14 VanDerWaalsContact O-N 3.14Å; E11-E15 PolarHBondContact O-N 2.81Å |
| 12 | L | 90.6 | Very high | 83.9 | Confident | 78 Ų | 78 | 103 Ų | 103 | 41% | 0.408 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.3 | -29 | 176.4 | -163.4 | 137.9 | 0 | 0 | 0 | 112.8 | H8 F10 K16 | H8-L12 WeakPolarHBondContact O-CB 3.39Å; H8-L12 PolarHBondContact O-N 3.11Å; H8-L12 VanDerWaalsContact O-N 3.08Å; F10-L12 PolarHBondContact O-N 3.14Å; L12-K16 HydrophobicContact CD2-CD 4.29Å; L12-K16 VanDerWaalsContact O-CG 3.3Å; L12-K16 WeakPolarHBondContact O-CG 3.45Å; L12-K16 PolarHBondContact O-N 3.2Å |
| 13 | L | 92.8 | Very high | 85.9 | Confident | 93 Ų | 93 | 100.2 Ų | 100.2 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -73.2 | -41.6 | 170.5 | 179.8 | 64.3 | 0 | 0 | 0 | 111.1 | N9 F10 E11 K16 L17 | N9-L13 WeakPolarHBondContact O-CB 3.45Å; N9-L13 PolarHBondContact O-N 3.19Å; N9-L13 VanDerWaalsContact O-N 3.15Å; F10-L13 WeakPolarHBondContact O-CB 3.48Å; F10-L13 PolarHBondContact O-N 3.15Å; E11-L13 VanDerWaalsContact C-N 3.28Å; E11-L13 PolarHBondContact O-N 3.36Å; L13-K16 WeakPolarHBondContact O-CB 3.38Å; L13-K16 PolarHBondContact O-N 3.33Å; L13-L17 HydrophobicContact CD1-CG 4.48Å; L13-L17 HydrophobicContact CG-CD1 4.25Å; L13-L17 WeakPolarHBondContact O-CG 3.3Å; L13-L17 PolarHBondContact O-N 2.79Å |
| 14 | Q | 93 | Very high | 87.7 | Confident | 92 Ų | 92 | 96.4 Ų | 96.4 | 43% | 0.43 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.2 | -47.7 | 177 | -174.3 | 175.2 | -11.9 | 0 | 0 | 110.8 | F10 E11 K16 L17 D18 | F10-Q14 WeakPolarHBondContact O-CB 3.43Å; F10-Q14 PolarHBondContact O-N 3.5Å; E11-Q14 WeakPolarHBondContact O-CB 3.47Å; E11-Q14 PolarHBondContact O-N 2.85Å; E11-Q14 VanDerWaalsContact O-N 3.14Å; Q14-K16 VanDerWaalsContact C-N 3.27Å; Q14-K16 PolarHBondContact O-N 3.28Å; Q14-L17 PolarHBondContact O-N 2.91Å; Q14-L17 VanDerWaalsContact O-N 3.15Å; Q14-D18 WeakPolarHBondContact O-CB 3.46Å; Q14-D18 VanDerWaalsContact O-CG 3.23Å; Q14-D18 PolarHBondContact O-N 2.9Å |
| 15 | E | 94 | Very high | 89.4 | Confident | 98 Ų | 98 | 98.4 Ų | 98.4 | 46% | 0.458 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.7 | -35.5 | 174.4 | -74.7 | -170.3 | -176.6 | 0 | 0 | 113.3 | E11 K19 | E11-E15 PolarHBondContact O-N 2.81Å; E15-K19 WeakPolarHBondContact O-CB 3.39Å; E15-K19 WeakPolarHBondContact O-CD 3.38Å; E15-K19 WeakPolarHBondContact O-CG 3.18Å; E15-K19 PolarHBondContact O-N 3.15Å; E15-K19 IonicContact OE2-NZ 3.52Å |
| 16 | K | 95.8 | Very high | 90.9 | Very high | 113 Ų | 113 | 100.8 Ų | 100.8 | 49% | 0.491 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.6 | -44.7 | 175.7 | -79.5 | 175.3 | 179.8 | 179.4 | 0 | 111 | L12 L13 Q14 K19 E20 | L12-K16 HydrophobicContact CD2-CD 4.29Å; L12-K16 VanDerWaalsContact O-CG 3.3Å; L12-K16 WeakPolarHBondContact O-CG 3.45Å; L12-K16 PolarHBondContact O-N 3.2Å; L13-K16 WeakPolarHBondContact O-CB 3.38Å; L13-K16 PolarHBondContact O-N 3.33Å; Q14-K16 VanDerWaalsContact C-N 3.27Å; Q14-K16 PolarHBondContact O-N 3.28Å; K16-K19 PolarHBondContact O-N 3Å; K16-E20 WeakPolarHBondContact O-CB 3.48Å; K16-E20 WeakPolarHBondContact O-CG 3.48Å; K16-E20 PolarHBondContact O-N 2.75Å |
| 17 | L | 95.9 | Very high | 92.1 | Very high | 88 Ų | 88 | 99.9 Ų | 99.9 | 46% | 0.461 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 176.1 | -70.6 | 174.4 | 0 | 0 | 0 | 110.8 | L13 Q14 K19 E20 T21 | L13-L17 HydrophobicContact CD1-CG 4.48Å; L13-L17 HydrophobicContact CG-CD1 4.25Å; L13-L17 WeakPolarHBondContact O-CG 3.3Å; L13-L17 PolarHBondContact O-N 2.79Å; Q14-L17 PolarHBondContact O-N 2.91Å; Q14-L17 VanDerWaalsContact O-N 3.15Å; L17-K19 VanDerWaalsContact C-N 3.31Å; L17-K19 PolarHBondContact O-N 3.39Å; L17-E20 CarbonylContact O-C 3.53Å; L17-E20 WeakPolarHBondContact O-CA 3.37Å; L17-E20 WeakPolarHBondContact O-CB 3.48Å; L17-E20 PolarHBondContact O-N 3.48Å; L17-E20 VanDerWaalsContact O-N 3.07Å; L17-T21 WeakPolarHBondContact O-CG2 3.24Å; L17-T21 PolarHBondContact O-N 3.21Å; L17-T21 PolarHBondContact O-OG1 3.07Å |
| 18 | D | 96.2 | Very high | 92.9 | Very high | 79 Ų | 79 | 106 Ų | 106 | 42% | 0.422 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.4 | -39.5 | 177.6 | -67.5 | -15.7 | 0 | 0 | 0 | 111.4 | Q14 T21 D22 | Q14-D18 WeakPolarHBondContact O-CB 3.46Å; Q14-D18 VanDerWaalsContact O-CG 3.23Å; Q14-D18 PolarHBondContact O-N 2.9Å; D18-T21 VanDerWaalsContact CA-OG1 3.24Å; D18-T21 WeakPolarHBondContact CA-OG1 3.34Å; D18-T21 PolarHBondContact O-N 2.83Å; D18-T21 PolarHBondContact O-OG1 3.03Å; D18-D22 VanDerWaalsContact O-CB 3.31Å; D18-D22 WeakPolarHBondContact O-CB 3.31Å; D18-D22 PolarHBondContact O-N 3.36Å |
| 19 | K | 96.5 | Very high | 93.7 | Very high | 132 Ų | 132 | 108 Ų | 108 | 57% | 0.574 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.1 | -38.8 | 172.9 | -74.5 | 166.3 | -171.2 | 160.8 | 0 | 112.4 | E15 K16 L17 A23 | E15-K19 WeakPolarHBondContact O-CB 3.39Å; E15-K19 WeakPolarHBondContact O-CD 3.38Å; E15-K19 WeakPolarHBondContact O-CG 3.18Å; E15-K19 PolarHBondContact O-N 3.15Å; E15-K19 IonicContact OE2-NZ 3.52Å; K16-K19 PolarHBondContact O-N 3Å; L17-K19 VanDerWaalsContact C-N 3.31Å; L17-K19 PolarHBondContact O-N 3.39Å; K19-A23 WeakPolarHBondContact O-CB 3.31Å; K19-A23 PolarHBondContact O-N 3.31Å |
| 20 | E | 96.7 | Very high | 94.1 | Very high | 120 Ų | 120 | 108.2 Ų | 108.2 | 56% | 0.561 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -68.7 | -41.1 | 175.9 | -76.4 | 177.6 | -172.1 | 0 | 0 | 111.6 | K16 L17 A23 L24 | K16-E20 WeakPolarHBondContact O-CB 3.48Å; K16-E20 WeakPolarHBondContact O-CG 3.48Å; K16-E20 PolarHBondContact O-N 2.75Å; L17-E20 CarbonylContact O-C 3.53Å; L17-E20 WeakPolarHBondContact O-CA 3.37Å; L17-E20 WeakPolarHBondContact O-CB 3.48Å; L17-E20 PolarHBondContact O-N 3.48Å; L17-E20 VanDerWaalsContact O-N 3.07Å; E20-A23 PolarHBondContact O-N 2.93Å; E20-L24 WeakPolarHBondContact O-CB 3.49Å; E20-L24 VanDerWaalsContact O-CG 3.31Å; E20-L24 WeakPolarHBondContact O-CG 3.32Å; E20-L24 PolarHBondContact O-N 2.79Å |
| 21 | T | 96.1 | Very high | 94.2 | Very high | 64 Ų | 64 | 108 Ų | 108 | 39% | 0.393 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.8 | -46.9 | 175.3 | 52.6 | 0 | 0 | 0 | 0 | 110.5 | L17 D18 A23 L24 E25 | L17-T21 WeakPolarHBondContact O-CG2 3.24Å; L17-T21 PolarHBondContact O-N 3.21Å; L17-T21 PolarHBondContact O-OG1 3.07Å; D18-T21 VanDerWaalsContact CA-OG1 3.24Å; D18-T21 WeakPolarHBondContact CA-OG1 3.34Å; D18-T21 PolarHBondContact O-N 2.83Å; D18-T21 PolarHBondContact O-OG1 3.03Å; T21-A23 VanDerWaalsContact C-N 3.28Å; T21-A23 PolarHBondContact O-N 3.1Å; T21-L24 PolarHBondContact O-N 3.18Å; T21-L24 VanDerWaalsContact O-N 3.1Å; T21-E25 WeakPolarHBondContact O-CB 3.29Å; T21-E25 VanDerWaalsContact O-CG 3.32Å; T21-E25 WeakPolarHBondContact O-CG 3.39Å; T21-E25 PolarHBondContact O-N 2.92Å |
| 22 | D | 96.7 | Very high | 94.4 | Very high | 68 Ų | 68 | 108.8 Ų | 108.8 | 36% | 0.364 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -57.5 | -41.5 | 174.8 | -86.4 | 11.8 | 0 | 0 | 0 | 112.1 | D18 R26 | D18-D22 VanDerWaalsContact O-CB 3.31Å; D18-D22 WeakPolarHBondContact O-CB 3.31Å; D18-D22 PolarHBondContact O-N 3.36Å; D22-R26 VanDerWaalsContact O-CG 3.31Å; D22-R26 WeakPolarHBondContact O-CG 3.4Å; D22-R26 PolarHBondContact O-N 3.31Å; D22-R26 IonicContact OD2-NH2 3.58Å |
| 23 | A | 96.6 | Very high | 94.4 | Very high | 39 Ų | 39 | 107.7 Ų | 107.7 | 32% | 0.322 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.4 | -37.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | K19 E20 T21 K27 | K19-A23 WeakPolarHBondContact O-CB 3.31Å; K19-A23 PolarHBondContact O-N 3.31Å; E20-A23 PolarHBondContact O-N 2.93Å; T21-A23 VanDerWaalsContact C-N 3.28Å; T21-A23 PolarHBondContact O-N 3.1Å; A23-K27 VanDerWaalsContact O-CG 3.29Å; A23-K27 WeakPolarHBondContact O-CG 3.42Å; A23-K27 PolarHBondContact O-N 3.06Å |
| 24 | L | 96.1 | Very high | 94.3 | Very high | 103 Ų | 103 | 105.6 Ų | 105.6 | 54% | 0.539 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70.9 | -41.4 | 175.6 | -73 | 171.2 | 0 | 0 | 0 | 111.9 | E20 T21 R26 K27 M28 | E20-L24 WeakPolarHBondContact O-CB 3.49Å; E20-L24 VanDerWaalsContact O-CG 3.31Å; E20-L24 WeakPolarHBondContact O-CG 3.32Å; E20-L24 PolarHBondContact O-N 2.79Å; T21-L24 PolarHBondContact O-N 3.18Å; T21-L24 VanDerWaalsContact O-N 3.1Å; L24-R26 PolarHBondContact O-N 2.92Å; L24-K27 PolarHBondContact O-N 3.24Å; L24-M28 WeakPolarHBondContact O-CG 3.44Å; L24-M28 PolarHBondContact O-N 3.5Å |
| 25 | E | 95.9 | Very high | 94.3 | Very high | 117 Ų | 117 | 106.3 Ų | 106.3 | 55% | 0.547 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 176.5 | -75 | 179.7 | -174.7 | 0 | 0 | 111.4 | T21 K27 M28 L29 | T21-E25 WeakPolarHBondContact O-CB 3.29Å; T21-E25 VanDerWaalsContact O-CG 3.32Å; T21-E25 WeakPolarHBondContact O-CG 3.39Å; T21-E25 PolarHBondContact O-N 2.92Å; E25-K27 PolarHBondContact O-N 3.19Å; E25-M28 PolarHBondContact O-N 3.49Å; E25-L29 WeakPolarHBondContact O-CG 3.31Å; E25-L29 PolarHBondContact O-N 3.12Å; E25-L29 VanDerWaalsContact O-N 3.12Å |
| 26 | R | 95.4 | Very high | 94.1 | Very high | 149 Ų | 149 | 106.9 Ų | 106.9 | 56% | 0.562 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60 | -46.5 | 173.5 | -71.5 | -178.9 | -164.2 | 103.8 | 8.2 | 111.9 | D22 L24 M28 L29 D30 | D22-R26 VanDerWaalsContact O-CG 3.31Å; D22-R26 WeakPolarHBondContact O-CG 3.4Å; D22-R26 PolarHBondContact O-N 3.31Å; D22-R26 IonicContact OD2-NH2 3.58Å; L24-R26 PolarHBondContact O-N 2.92Å; R26-M28 PolarHBondContact O-N 3.28Å; R26-L29 PolarHBondContact O-N 3.02Å; R26-L29 VanDerWaalsContact O-N 3.11Å; R26-D30 PolarHBondContact O-N 3.11Å |
| 27 | K | 93.2 | Very high | 93.8 | Very high | 153 Ų | 153 | 105 Ų | 105 | 67% | 0.665 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.7 | -30.2 | 176.9 | -75.3 | 175.2 | -177.9 | 179.3 | 0 | 113.2 | A23 L24 E25 | A23-K27 VanDerWaalsContact O-CG 3.29Å; A23-K27 WeakPolarHBondContact O-CG 3.42Å; A23-K27 PolarHBondContact O-N 3.06Å; L24-K27 PolarHBondContact O-N 3.24Å; E25-K27 PolarHBondContact O-N 3.19Å |
| 28 | M | 92.1 | Very high | 93.6 | Very high | 169 Ų | 169 | 104.1 Ų | 104.1 | 83% | 0.833 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -74.8 | -29.6 | 176.2 | -76.4 | -166.5 | 164.1 | 0 | 0 | 113 | L24 E25 R26 | L24-M28 WeakPolarHBondContact O-CG 3.44Å; L24-M28 PolarHBondContact O-N 3.5Å; E25-M28 PolarHBondContact O-N 3.49Å; R26-M28 PolarHBondContact O-N 3.28Å |
| 29 | L | 92.9 | Very high | 93.4 | Very high | 154 Ų | 154 | 109.5 Ų | 109.5 | 81% | 0.806 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -81.4 | -28.5 | 177.2 | -67.7 | 171.4 | 0 | 0 | 0 | 112.8 | E25 R26 | E25-L29 WeakPolarHBondContact O-CG 3.31Å; E25-L29 PolarHBondContact O-N 3.12Å; E25-L29 VanDerWaalsContact O-N 3.12Å; R26-L29 PolarHBondContact O-N 3.02Å; R26-L29 VanDerWaalsContact O-N 3.11Å |
| 30 | D | 93.3 | Very high | 93.2 | Very high | 112 Ų | 112 | 105.4 Ų | 105.4 | 60% | 0.599 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -65.3 | 157.2 | 177.6 | -80.4 | -22.7 | 0 | 0 | 0 | 113.2 | R26 K32 | R26-D30 PolarHBondContact O-N 3.11Å; D30-K32 PolarHBondContact O-N 3.27Å |
| 31 | V | 90.5 | Very high | 93 | Very high | 129 Ų | 129 | 102.1 Ų | 102.1 | 78% | 0.782 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 124.1 | 177 | 179.6 | 0 | 0 | 0 | 0 | 109.7 | ||
| 32 | K | 91.7 | Very high | 92.8 | Very high | 134 Ų | 134 | 102.6 Ų | 102.6 | 58% | 0.583 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -55.1 | 141.2 | 176.3 | -68.6 | -177.5 | 178.6 | -172.9 | 0 | 110.9 | D30 L36 Q37 | D30-K32 PolarHBondContact O-N 3.27Å; K32-L36 HydrophobicContact CB-CB 4.38Å; K32-L36 HydrophobicContact CD-CD2 4.2Å; K32-L36 HydrophobicContact CG-CD2 4.43Å; K32-Q37 HydrophobicContact CB-CG 4.39Å; K32-Q37 PolarHBondContact O-NE2 3.03Å |
| 33 | P | 91 | Very high | 92.6 | Very high | 55 Ų | 55 | 106 Ų | 106 | 36% | 0.357 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -61.2 | 152.7 | 175.9 | 26.8 | -34 | 0 | 0 | 0 | 110.9 | Y35 L36 | P33-Y35 VanDerWaalsContact C-N 3.28Å; P33-Y35 HydrophobicContact CB-CD1 4.03Å; P33-Y35 HydrophobicContact CB-CE1 3.51Å; P33-Y35 HydrophobicContact CB-CE2 4.18Å; P33-Y35 HydrophobicContact CG-CD1 4.47Å; P33-Y35 HydrophobicContact CG-CD2 4.3Å; P33-Y35 HydrophobicContact CG-CE1 3.82Å; P33-Y35 HydrophobicContact CG-CE2 3.58Å; P33-Y35 WeakPolarHBondContact CG-OH 3.32Å; P33-Y35 PolarHBondContact O-N 3.18Å; P33-L36 HydrophobicContact CG-CB 4.13Å; P33-L36 WeakPolarHBondContact O-CB 3.42Å; P33-L36 PolarHBondContact O-N 2.91Å |
| 34 | W | 91.9 | Very high | 92.3 | Very high | 50 Ų | 50 | 111.1 Ų | 111.1 | 19% | 0.189 | 58% | 0.581 | C | S | . | * | G | 310 helix | trans | -54.4 | -39 | -171.5 | 69.7 | -89.3 | 0 | 0 | 0 | 113.4 | L36 Q37 V40 R45 E53 F55 | W34-L36 PolarHBondContact O-N 3.17Å; W34-Q37 WeakPolarHBondContact O-CB 3.38Å; W34-Q37 PolarHBondContact O-N 3.31Å; W34-V40 HydrophobicContact CB-CG1 4.43Å; W34-V40 HydrophobicContact CE3-CG1 4.28Å; W34-V40 WeakPolarHBondContact O-CG2 3.45Å; W34-R45 HydrophobicContact CB-CB 4.4Å; W34-R45 HydrophobicContact CD2-CB 4Å; W34-R45 HydrophobicContact CE3-CB 4.29Å; W34-R45 HydrophobicContact CG-CB 4.03Å; W34-E53 HydrophobicContact CZ2-CG 4.09Å; W34-F55 AromaticContact CH2-CE2 3.64Å; W34-F55 HydrophobicContact CH2-CE2 3.64Å; W34-F55 AromaticContact CH2-CZ 3.48Å; W34-F55 HydrophobicContact CH2-CZ 3.48Å; W34-F55 VanDerWaalsContact CH2-CZ 3.48Å; W34-F55 HydrophobicContact CZ2-CZ 4.37Å; W34-F55 HydrophobicContact CZ3-CE2 4.25Å; W34-F55 AromaticContact CZ3-CZ 3.77Å; W34-F55 HydrophobicContact CZ3-CZ 3.77Å |
| 35 | Y | 91.2 | Very high | 92.1 | Very high | 106 Ų | 106 | 109.2 Ų | 109.2 | 42% | 0.416 | 57% | 0.567 | S | S | . | * | G | 310 helix | trans | -67 | -16.8 | 179.2 | 56.8 | -104.2 | 0 | 0 | 0 | 113.8 | P33 E53 | P33-Y35 VanDerWaalsContact C-N 3.28Å; P33-Y35 HydrophobicContact CB-CD1 4.03Å; P33-Y35 HydrophobicContact CB-CE1 3.51Å; P33-Y35 HydrophobicContact CB-CE2 4.18Å; P33-Y35 HydrophobicContact CG-CD1 4.47Å; P33-Y35 HydrophobicContact CG-CD2 4.3Å; P33-Y35 HydrophobicContact CG-CE1 3.82Å; P33-Y35 HydrophobicContact CG-CE2 3.58Å; P33-Y35 WeakPolarHBondContact CG-OH 3.32Å; P33-Y35 PolarHBondContact O-N 3.18Å; Y35-E53 HydrophobicContact CD1-CG 4.17Å |
| 36 | L | 90.7 | Very high | 91.9 | Very high | 110 Ų | 110 | 109.9 Ų | 109.9 | 58% | 0.576 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -97.3 | 1 | 176.7 | -143.1 | 73.1 | 0 | 0 | 0 | 112.2 | K32 P33 W34 | K32-L36 HydrophobicContact CB-CB 4.38Å; K32-L36 HydrophobicContact CD-CD2 4.2Å; K32-L36 HydrophobicContact CG-CD2 4.43Å; P33-L36 HydrophobicContact CG-CB 4.13Å; P33-L36 WeakPolarHBondContact O-CB 3.42Å; P33-L36 PolarHBondContact O-N 2.91Å; W34-L36 PolarHBondContact O-N 3.17Å |
| 37 | Q | 90.1 | Very high | 91.8 | Very high | 75 Ų | 75 | 111.3 Ų | 111.3 | 35% | 0.35 | 59% | 0.588 | S | S | . | * | S | Bend | trans | -98.1 | 143.2 | 173.8 | -59.7 | 179.9 | 5.3 | 0 | 0 | 109.8 | K32 W34 V40 | K32-Q37 HydrophobicContact CB-CG 4.39Å; K32-Q37 PolarHBondContact O-NE2 3.03Å; W34-Q37 WeakPolarHBondContact O-CB 3.38Å; W34-Q37 PolarHBondContact O-N 3.31Å; Q37-V40 HydrophobicContact CB-CG2 3.81Å; Q37-V40 WeakPolarHBondContact O-CG2 3.43Å |
| 38 | G | 91.7 | Very high | 91.7 | Very high | 68 Ų | 68 | 109.6 Ų | 109.6 | 70% | 0.701 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -78.3 | 156.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V40 | G38-V40 PolarHBondContact O-N 2.78Š|
| 39 | E | 91.2 | Very high | 91.7 | Very high | 193 Ų | 193 | 102.1 Ų | 102.1 | 90% | 0.902 | 55% | 0.55 | S | S | * | . | S | Bend | trans | 54.1 | 47.1 | 169.4 | -57.2 | -178.6 | 177.1 | 0 | 0 | 114.4 | A41 | E39-A41 PolarHBondContact O-N 3.35Š|
| 40 | V | 92.6 | Very high | 91.6 | Very high | 45 Ų | 45 | 99 Ų | 99 | 27% | 0.273 | 53% | 0.533 | S | S | . | . | trans | -80.8 | 116.5 | -178 | -178.2 | 0 | 0 | 0 | 0 | 111.3 | W34 Q37 G38 K44 R45 | W34-V40 HydrophobicContact CB-CG1 4.43Å; W34-V40 HydrophobicContact CE3-CG1 4.28Å; W34-V40 WeakPolarHBondContact O-CG2 3.45Å; Q37-V40 HydrophobicContact CB-CG2 3.81Å; Q37-V40 WeakPolarHBondContact O-CG2 3.43Å; G38-V40 PolarHBondContact O-N 2.78Å; V40-K44 HydrophobicContact CG1-CB 4.14Å; V40-R45 HydrophobicContact CG1-CB 4.48Å | ||
| 41 | A | 93 | Very high | 91.5 | Very high | 51 Ų | 51 | 100.7 Ų | 100.7 | 42% | 0.421 | 54% | 0.541 | S | S | . | . | trans | -75.9 | 154.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | E39 T43 K44 | E39-A41 PolarHBondContact O-N 3.35Å; A41-T43 PolarHBondContact O-N 2.88Å; A41-T43 VanDerWaalsContact O-N 3.14Å; A41-K44 PolarHBondContact O-N 3.07Å | ||
| 42 | A | 92.2 | Very high | 91.5 | Very high | 74 Ų | 74 | 101.2 Ų | 101.2 | 61% | 0.612 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -55.8 | -33.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | K44 R45 | A42-K44 VanDerWaalsContact C-N 3.29Å; A42-K44 PolarHBondContact O-N 3.03Å; A42-R45 WeakPolarHBondContact O-CG 3.45Å; A42-R45 PolarHBondContact O-N 2.65Å |
| 43 | T | 92.1 | Very high | 91.4 | Very high | 141 Ų | 141 | 98.5 Ų | 98.5 | 87% | 0.865 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -68.6 | -23.3 | 178.9 | -39.5 | 0 | 0 | 0 | 0 | 113.8 | A41 | A41-T43 PolarHBondContact O-N 2.88Å; A41-T43 VanDerWaalsContact O-N 3.14Å |
| 44 | K | 90.3 | Very high | 91.5 | Very high | 145 Ų | 145 | 104.6 Ų | 104.6 | 63% | 0.63 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -84.5 | -12.2 | -177.6 | -69.7 | -174.9 | 178.9 | 177.6 | 0 | 113.4 | V40 A41 A42 | V40-K44 HydrophobicContact CG1-CB 4.14Å; A41-K44 PolarHBondContact O-N 3.07Å; A42-K44 VanDerWaalsContact C-N 3.29Å; A42-K44 PolarHBondContact O-N 3.03Å |
| 45 | R | 91.7 | Very high | 91.4 | Very high | 64 Ų | 64 | 106.6 Ų | 106.6 | 24% | 0.242 | 56% | 0.558 | C | S | . | * | S | Bend | trans | -114.5 | 153.3 | 178.9 | 65.2 | -178 | -176.7 | 90.3 | -0.5 | 110.2 | W34 V40 A42 T49 | W34-R45 HydrophobicContact CB-CB 4.4Å; W34-R45 HydrophobicContact CD2-CB 4Å; W34-R45 HydrophobicContact CE3-CB 4.29Å; W34-R45 HydrophobicContact CG-CB 4.03Å; V40-R45 HydrophobicContact CG1-CB 4.48Å; A42-R45 WeakPolarHBondContact O-CG 3.45Å; A42-R45 PolarHBondContact O-N 2.65Å; R45-T49 PolarHBondContact NH1-OG1 3.47Å |
| 46 | N | 91.5 | Very high | 91.5 | Very high | 130 Ų | 130 | 110 Ų | 110 | 70% | 0.695 | 58% | 0.584 | S | S | * | * | trans | -69.5 | 158.4 | 175 | -63.2 | -15.3 | 0 | 0 | 0 | 110.7 | T49 | N46-T49 HydrophobicContact CB-CG2 3.72Å; N46-T49 WeakPolarHBondContact O-CG2 3.44Å; N46-T49 PolarHBondContact O-OG1 3.29Å | ||
| 47 | E | 92.8 | Very high | 91.5 | Very high | 180 Ų | 180 | 109.9 Ų | 109.9 | 84% | 0.841 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | 145.4 | 177.4 | -61.4 | -177.8 | 172.6 | 0 | 0 | 111.5 | T49 | E47-T49 PolarHBondContact O-N 3.42Š|
| 48 | N | 91.1 | Very high | 91.6 | Very high | 116 Ų | 116 | 113.8 Ų | 113.8 | 62% | 0.62 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 58.1 | -0.2 | 177.8 | -60.1 | -29.8 | 0 | 0 | 0 | 118.4 | L50 L51 | N48-L50 PolarHBondContact O-N 3.48Å; N48-L50 VanDerWaalsContact O-N 3.07Å; N48-L51 PolarHBondContact O-N 2.73Å |
| 49 | T | 91.9 | Very high | 91.5 | Very high | 13 Ų | 13 | 119.3 Ų | 119.3 | 8% | 0.08 | 61% | 0.605 | C | S | . | * | G | 310 helix | trans | -56.3 | -24.9 | 175.6 | 48.2 | 0 | 0 | 0 | 0 | 115.1 | R45 N46 E47 L51 E52 | R45-T49 PolarHBondContact NH1-OG1 3.47Å; N46-T49 HydrophobicContact CB-CG2 3.72Å; N46-T49 WeakPolarHBondContact O-CG2 3.44Å; N46-T49 PolarHBondContact O-OG1 3.29Å; E47-T49 PolarHBondContact O-N 3.42Å; T49-L51 PolarHBondContact O-N 3.25Å; T49-E52 PolarHBondContact O-N 3.32Å |
| 50 | L | 90.8 | Very high | 91.3 | Very high | 88 Ų | 88 | 118.1 Ų | 118.1 | 46% | 0.461 | 60% | 0.599 | S | S | . | * | G | 310 helix | trans | -66 | -26 | 177.2 | -179.3 | 63.4 | 0 | 0 | 0 | 112.8 | N48 E52 F55 | N48-L50 PolarHBondContact O-N 3.48Å; N48-L50 VanDerWaalsContact O-N 3.07Å; L50-E52 VanDerWaalsContact C-N 3.35Å; L50-F55 HydrophobicContact CD1-CD2 3.6Å; L50-F55 HydrophobicContact CD1-CE2 3.61Å |
| 51 | L | 91.7 | Very high | 91.1 | Very high | 147 Ų | 147 | 118.6 Ų | 118.6 | 77% | 0.77 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -81.6 | -17.5 | -179.7 | -62.1 | 173.3 | 0 | 0 | 0 | 112.6 | N48 T49 | N48-L51 PolarHBondContact O-N 2.73Å; T49-L51 PolarHBondContact O-N 3.25Å |
| 52 | E | 91 | Very high | 90.9 | Very high | 141 Ų | 141 | 124.8 Ų | 124.8 | 66% | 0.659 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -36.8 | -179.5 | -61 | 177.2 | 168.2 | 0 | 0 | 111.3 | T49 L50 | T49-E52 PolarHBondContact O-N 3.32Å; L50-E52 VanDerWaalsContact C-N 3.35Å |
| 53 | E | 89.3 | Confident | 90.7 | Very high | 77 Ų | 77 | 128.1 Ų | 128.1 | 36% | 0.36 | 64% | 0.639 | S | S | . | * | S | Bend | trans | -96.1 | 141.2 | -176.8 | -65.7 | -63.5 | 173.2 | 0 | 0 | 112.1 | W34 Y35 F55 | W34-E53 HydrophobicContact CZ2-CG 4.09Å; Y35-E53 HydrophobicContact CD1-CG 4.17Å; E53-F55 HydrophobicContact CB-CD2 4.22Å; E53-F55 HydrophobicContact CB-CE2 3.44Å; E53-F55 VanDerWaalsContact CB-CE2 3.44Å; E53-F55 HydrophobicContact CB-CZ 3.74Å |
| 54 | H | 92.2 | Very high | 90.6 | Very high | 183 Ų | 183 | 130.6 Ų | 130.6 | 85% | 0.847 | 64% | 0.638 | S | S | * | * | trans | -92.7 | 110.5 | -179.1 | -66.6 | 65.9 | 0 | 0 | 0 | 110.2 | ||||
| 55 | F | 90.4 | Very high | 90.5 | Very high | 92 Ų | 92 | 128.2 Ų | 128.2 | 40% | 0.404 | 64% | 0.637 | S | S | . | * | trans | -111.1 | 131.6 | 177.5 | -62.7 | -80.4 | 0 | 0 | 0 | 112 | W34 L50 E53 V57 | W34-F55 AromaticContact CH2-CE2 3.64Å; W34-F55 HydrophobicContact CH2-CE2 3.64Å; W34-F55 AromaticContact CH2-CZ 3.48Å; W34-F55 HydrophobicContact CH2-CZ 3.48Å; W34-F55 VanDerWaalsContact CH2-CZ 3.48Å; W34-F55 HydrophobicContact CZ2-CZ 4.37Å; W34-F55 HydrophobicContact CZ3-CE2 4.25Å; W34-F55 AromaticContact CZ3-CZ 3.77Å; W34-F55 HydrophobicContact CZ3-CZ 3.77Å; L50-F55 HydrophobicContact CD1-CD2 3.6Å; L50-F55 HydrophobicContact CD1-CE2 3.61Å; E53-F55 HydrophobicContact CB-CD2 4.22Å; E53-F55 HydrophobicContact CB-CE2 3.44Å; E53-F55 VanDerWaalsContact CB-CE2 3.44Å; E53-F55 HydrophobicContact CB-CZ 3.74Å; F55-V57 HydrophobicContact CB-CG2 4.23Å; F55-V57 PolarHBondContact O-N 3.5Å | ||
| 56 | D | 92.3 | Very high | 90.3 | Very high | 177 Ų | 177 | 133.8 Ų | 133.8 | 95% | 0.947 | 67% | 0.666 | S | S | * | * | trans | -84 | 107.3 | 169 | -72.5 | -28.2 | 0 | 0 | 0 | 109.8 | ||||
| 57 | V | 90.7 | Very high | 89.9 | Confident | 107 Ų | 107 | 133.3 Ų | 133.3 | 65% | 0.648 | 67% | 0.668 | S | S | * | * | trans | -113.5 | 128.4 | 178.7 | -174.9 | 0 | 0 | 0 | 0 | 109.6 | F55 R59 | F55-V57 HydrophobicContact CB-CG2 4.23Å; F55-V57 PolarHBondContact O-N 3.5Å; V57-R59 PolarHBondContact O-N 2.95Å | ||
| 58 | Q | 92.5 | Very high | 89.4 | Confident | 158 Ų | 158 | 130.9 Ų | 130.9 | 74% | 0.738 | 66% | 0.656 | S | S | * | * | trans | -65.6 | 120.5 | 171.2 | -173.6 | 175.4 | 3 | 0 | 0 | 109.6 | ||||
| 59 | R | 90.8 | Very high | 89.3 | Confident | 184 Ų | 184 | 130.6 Ų | 130.6 | 69% | 0.694 | 66% | 0.655 | S | S | * | * | trans | -97.3 | 127.5 | 175.5 | -57 | -171.9 | -176.5 | -179.1 | -3.7 | 109.4 | V57 F63 | V57-R59 PolarHBondContact O-N 2.95Å; R59-F63 HydrophobicContact CB-CE2 4.36Å; R59-F63 HydrophobicContact CB-CZ 4.18Å | ||
| 60 | H | 87.4 | Confident | 89.3 | Confident | 167 Ų | 167 | 136.9 Ų | 136.9 | 77% | 0.773 | 68% | 0.683 | S | S | * | * | trans | -94.3 | 101.3 | 173.1 | -56.8 | -66.3 | 0 | 0 | 0 | 108.9 | ||||
| 61 | G | 87.8 | Confident | 89.4 | Confident | 55 Ų | 55 | 135 Ų | 135 | 57% | 0.567 | 68% | 0.68 | S | S | * | * | S | Bend | trans | 157.4 | 140.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 62 | L | 88.3 | Confident | 89.5 | Confident | 181 Ų | 181 | 132.4 Ų | 132.4 | 95% | 0.948 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 124.1 | 167.7 | -64.9 | 174.4 | 0 | 0 | 0 | 108.1 | ||
| 63 | F | 88.1 | Confident | 89.6 | Confident | 144 Ų | 144 | 129.4 Ų | 129.4 | 63% | 0.632 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 143.5 | 171.6 | -65.1 | -76.3 | 0 | 0 | 0 | 109.7 | R59 P65 | R59-F63 HydrophobicContact CB-CE2 4.36Å; R59-F63 HydrophobicContact CB-CZ 4.18Å; F63-P65 WeakPolarHBondContact O-CD 3.33Å |
| 64 | K | 90.4 | Very high | 89.9 | Confident | 193 Ų | 193 | 129.8 Ų | 129.8 | 84% | 0.839 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 123.6 | 168.2 | -177.3 | -178.3 | 174.7 | -176.1 | 0 | 107.7 | ||
| 65 | P | 88.6 | Confident | 90.1 | Very high | 96 Ų | 96 | 126.3 Ų | 126.3 | 62% | 0.623 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 148.9 | 175.3 | 20.7 | -26.8 | 0 | 0 | 0 | 110.3 | F63 | F63-P65 WeakPolarHBondContact O-CD 3.33Š|
| 66 | E | 86.8 | Confident | 90.2 | Very high | 180 Ų | 180 | 130 Ų | 130 | 84% | 0.841 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 151.7 | 171.3 | -169.3 | 168.8 | -174.1 | 0 | 0 | 110 | H68 | E66-H68 PolarHBondContact O-N 3.43Å; E66-H68 VanDerWaalsContact O-N 3.16Å |
| 67 | V | 84 | Confident | 90.3 | Very high | 120 Ų | 120 | 125.3 Ų | 125.3 | 73% | 0.727 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 123.8 | 179.2 | -177.9 | 0 | 0 | 0 | 0 | 108.1 | ||
| 68 | H | 80.4 | Confident | 90.5 | Very high | 129 Ų | 129 | 123.9 Ų | 123.9 | 60% | 0.597 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 149.2 | 175.5 | -69.2 | -62.6 | 0 | 0 | 0 | 110.6 | E66 E70 I73 | E66-H68 PolarHBondContact O-N 3.43Å; E66-H68 VanDerWaalsContact O-N 3.16Å; H68-E70 PolarHBondContact O-N 2.97Å; H68-I73 HydrophobicContact CB-CD1 4.42Å |
| 69 | D | 89.8 | Confident | 90.7 | Very high | 111 Ų | 111 | 121.9 Ų | 121.9 | 59% | 0.594 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -52 | 124.9 | 173.4 | -172 | -3.4 | 0 | 0 | 0 | 110.2 | A71 V72 | D69-A71 PolarHBondContact O-N 3.09Å; D69-A71 VanDerWaalsContact O-N 3.08Å; D69-A71 PolarHBondContact OD1-N 2.99Å; D69-V72 HydrophobicContact CB-CG2 4.24Å; D69-V72 PolarHBondContact O-N 3.21Å |
| 70 | E | 92.1 | Very high | 90.8 | Very high | 144 Ų | 144 | 114 Ų | 114 | 67% | 0.673 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -56 | -29.6 | -177.1 | -62.7 | -174 | 168.6 | 0 | 0 | 111.3 | H68 V72 I73 N74 | H68-E70 PolarHBondContact O-N 2.97Å; E70-V72 VanDerWaalsContact C-N 3.34Å; E70-V72 PolarHBondContact O-N 3.28Å; E70-I73 PolarHBondContact O-N 3.35Å; E70-N74 WeakPolarHBondContact O-CB 3.43Å; E70-N74 VanDerWaalsContact O-CG 3.3Å; E70-N74 PolarHBondContact O-N 3.31Å; E70-N74 PolarHBondContact O-ND2 3.08Å; E70-N74 VanDerWaalsContact O-ND2 3.09Å |
| 71 | A | 93.1 | Very high | 91.2 | Very high | 48 Ų | 48 | 110.7 Ų | 110.7 | 40% | 0.397 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -58.5 | -42.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D69 N74 D75 | D69-A71 PolarHBondContact O-N 3.09Å; D69-A71 VanDerWaalsContact O-N 3.08Å; D69-A71 PolarHBondContact OD1-N 2.99Å; A71-N74 PolarHBondContact O-N 3.37Å; A71-D75 PolarHBondContact O-N 3.39Å |
| 72 | V | 93.4 | Very high | 91.5 | Very high | 93 Ų | 93 | 115.8 Ų | 115.8 | 56% | 0.564 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68.1 | -39.6 | -178.4 | 180 | 0 | 0 | 0 | 0 | 111.1 | D69 E70 Y76 | D69-V72 HydrophobicContact CB-CG2 4.24Å; D69-V72 PolarHBondContact O-N 3.21Å; E70-V72 VanDerWaalsContact C-N 3.34Å; E70-V72 PolarHBondContact O-N 3.28Å; V72-Y76 PolarHBondContact O-N 3.4Å; V72-Y76 VanDerWaalsContact O-N 3.08Å |
| 73 | I | 93.6 | Very high | 91.8 | Very high | 78 Ų | 78 | 110.8 Ų | 110.8 | 40% | 0.4 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.2 | -44.8 | 176.6 | -62.4 | 173.7 | 0 | 0 | 0 | 110 | H68 E70 D75 Y76 I77 | H68-I73 HydrophobicContact CB-CD1 4.42Å; E70-I73 PolarHBondContact O-N 3.35Å; I73-D75 PolarHBondContact O-N 3.01Å; I73-Y76 WeakPolarHBondContact O-CB 3.46Å; I73-Y76 PolarHBondContact O-N 3.04Å; I73-I77 HydrophobicContact CG2-CD1 3.72Å; I73-I77 HydrophobicContact CG2-CG1 4.39Å; I73-I77 VanDerWaalsContact O-CG1 3.3Å; I73-I77 WeakPolarHBondContact O-CG1 3.37Å; I73-I77 PolarHBondContact O-N 3.33Å |
| 74 | N | 95.2 | Very high | 91.8 | Very high | 85 Ų | 85 | 112.8 Ų | 112.8 | 46% | 0.455 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.3 | -43.7 | 178.4 | -75.1 | -35.8 | 0 | 0 | 0 | 111.9 | E70 A71 Y76 I77 I78 | E70-N74 WeakPolarHBondContact O-CB 3.43Å; E70-N74 VanDerWaalsContact O-CG 3.3Å; E70-N74 PolarHBondContact O-N 3.31Å; E70-N74 PolarHBondContact O-ND2 3.08Å; E70-N74 VanDerWaalsContact O-ND2 3.09Å; A71-N74 PolarHBondContact O-N 3.37Å; N74-Y76 VanDerWaalsContact C-N 3.32Å; N74-Y76 PolarHBondContact O-N 3.08Å; N74-I77 PolarHBondContact O-N 2.98Å; N74-I78 WeakPolarHBondContact O-CB 3.15Å; N74-I78 WeakPolarHBondContact O-CD1 3.34Å; N74-I78 WeakPolarHBondContact O-CG1 3.5Å; N74-I78 PolarHBondContact O-N 3.16Å |
| 75 | D | 95.8 | Very high | 91.8 | Very high | 111 Ų | 111 | 109.6 Ų | 109.6 | 59% | 0.594 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.2 | -41.1 | 176.3 | -79.1 | -10.7 | 0 | 0 | 0 | 112.1 | A71 I73 K79 | A71-D75 PolarHBondContact O-N 3.39Å; I73-D75 PolarHBondContact O-N 3.01Å; D75-K79 WeakPolarHBondContact O-CB 3.44Å; D75-K79 PolarHBondContact O-N 3.14Å |
| 76 | Y | 93.7 | Very high | 91.7 | Very high | 170 Ų | 170 | 110.8 Ų | 110.8 | 67% | 0.667 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.1 | -47.4 | 174.1 | 177.3 | -98.9 | 0 | 0 | 0 | 112.1 | V72 I73 N74 K79 A80 | V72-Y76 PolarHBondContact O-N 3.4Å; V72-Y76 VanDerWaalsContact O-N 3.08Å; I73-Y76 WeakPolarHBondContact O-CB 3.46Å; I73-Y76 PolarHBondContact O-N 3.04Å; N74-Y76 VanDerWaalsContact C-N 3.32Å; N74-Y76 PolarHBondContact O-N 3.08Å; Y76-K79 PolarHBondContact O-N 3.37Å; Y76-A80 WeakPolarHBondContact O-CB 3.39Å; Y76-A80 PolarHBondContact O-N 2.87Å |
| 77 | I | 93.8 | Very high | 91.9 | Very high | 77 Ų | 77 | 110.6 Ų | 110.6 | 40% | 0.395 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 178.9 | -68.3 | 168.9 | 0 | 0 | 0 | 110.8 | I73 N74 K79 A80 I81 | I73-I77 HydrophobicContact CG2-CD1 3.72Å; I73-I77 HydrophobicContact CG2-CG1 4.39Å; I73-I77 VanDerWaalsContact O-CG1 3.3Å; I73-I77 WeakPolarHBondContact O-CG1 3.37Å; I73-I77 PolarHBondContact O-N 3.33Å; N74-I77 PolarHBondContact O-N 2.98Å; I77-K79 VanDerWaalsContact C-N 3.29Å; I77-K79 PolarHBondContact O-N 3.5Å; I77-A80 PolarHBondContact O-N 3.23Å; I77-I81 HydrophobicContact CG2-CD1 3.7Å; I77-I81 HydrophobicContact CG2-CG1 4.34Å; I77-I81 VanDerWaalsContact O-CG1 3.3Å; I77-I81 WeakPolarHBondContact O-CG1 3.02Å; I77-I81 PolarHBondContact O-N 3.16Å |
| 78 | I | 95.9 | Very high | 92.1 | Very high | 78 Ų | 78 | 108.8 Ų | 108.8 | 40% | 0.4 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.6 | -43.1 | 177.2 | -70.5 | 164.5 | 0 | 0 | 0 | 110.1 | N74 K82 | N74-I78 WeakPolarHBondContact O-CB 3.15Å; N74-I78 WeakPolarHBondContact O-CD1 3.34Å; N74-I78 WeakPolarHBondContact O-CG1 3.5Å; N74-I78 PolarHBondContact O-N 3.16Å; I78-K82 HydrophobicContact CG2-CD 3.97Å; I78-K82 VanDerWaalsContact CG2-CE 3.48Å; I78-K82 WeakPolarHBondContact O-CB 3.3Å; I78-K82 VanDerWaalsContact O-CG 3.23Å; I78-K82 WeakPolarHBondContact O-CG 3.38Å; I78-K82 PolarHBondContact O-N 3.06Å |
| 79 | K | 95.4 | Very high | 92.5 | Very high | 116 Ų | 116 | 108.8 Ų | 108.8 | 50% | 0.504 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -63.2 | -47.7 | 175.6 | -174.5 | -179.1 | 176 | -175 | 0 | 111.6 | D75 Y76 I77 I81 K82 E83 | D75-K79 WeakPolarHBondContact O-CB 3.44Å; D75-K79 PolarHBondContact O-N 3.14Å; Y76-K79 PolarHBondContact O-N 3.37Å; I77-K79 VanDerWaalsContact C-N 3.29Å; I77-K79 PolarHBondContact O-N 3.5Å; K79-I81 VanDerWaalsContact C-N 3.33Å; K79-I81 PolarHBondContact O-N 2.93Å; K79-K82 PolarHBondContact O-N 3.27Å; K79-E83 WeakPolarHBondContact CE-OE1 3.23Å; K79-E83 HydrophobicContact CG-CG 4.42Å; K79-E83 WeakPolarHBondContact O-CB 3.16Å; K79-E83 WeakPolarHBondContact O-CG 3.38Å; K79-E83 PolarHBondContact O-N 2.82Å |
| 80 | A | 94.2 | Very high | 92.3 | Very high | 18 Ų | 18 | 109.3 Ų | 109.3 | 15% | 0.149 | 56% | 0.557 | C | S | . | * | H | α-helix | trans | -59.7 | -41.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y76 I77 E83 R84 M85 | Y76-A80 WeakPolarHBondContact O-CB 3.39Å; Y76-A80 PolarHBondContact O-N 2.87Å; I77-A80 PolarHBondContact O-N 3.23Å; A80-E83 CarbonylContact O-C 3.55Å; A80-E83 PolarHBondContact O-N 3.42Å; A80-R84 WeakPolarHBondContact O-CA 3.39Å; A80-R84 PolarHBondContact O-N 3.37Å; A80-M85 PolarHBondContact O-N 3.14Å |
| 81 | I | 95 | Very high | 91.9 | Very high | 97 Ų | 97 | 111.8 Ų | 111.8 | 50% | 0.497 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.3 | -44.9 | 176 | -67 | 169.5 | 0 | 0 | 0 | 111.1 | I77 K79 E83 R84 F86 | I77-I81 HydrophobicContact CG2-CD1 3.7Å; I77-I81 HydrophobicContact CG2-CG1 4.34Å; I77-I81 VanDerWaalsContact O-CG1 3.3Å; I77-I81 WeakPolarHBondContact O-CG1 3.02Å; I77-I81 PolarHBondContact O-N 3.16Å; K79-I81 VanDerWaalsContact C-N 3.33Å; K79-I81 PolarHBondContact O-N 2.93Å; I81-E83 VanDerWaalsContact C-N 3.28Å; I81-E83 PolarHBondContact O-N 3.42Å; I81-R84 PolarHBondContact O-N 2.96Å; I81-F86 HydrophobicContact CB-CZ 4.47Å; I81-F86 HydrophobicContact CG1-CE1 4.16Å; I81-F86 HydrophobicContact CG1-CZ 4.12Å |
| 82 | K | 94.9 | Very high | 91.4 | Very high | 162 Ų | 162 | 119.3 Ų | 119.3 | 70% | 0.704 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -59.8 | -40.5 | 175.4 | -76.7 | 172.1 | 179.7 | 172.5 | 0 | 111.4 | I78 K79 R84 | I78-K82 HydrophobicContact CG2-CD 3.97Å; I78-K82 VanDerWaalsContact CG2-CE 3.48Å; I78-K82 WeakPolarHBondContact O-CB 3.3Å; I78-K82 VanDerWaalsContact O-CG 3.23Å; I78-K82 WeakPolarHBondContact O-CG 3.38Å; I78-K82 PolarHBondContact O-N 3.06Å; K79-K82 PolarHBondContact O-N 3.27Å; K82-R84 VanDerWaalsContact C-N 3.34Å |
| 83 | E | 94.1 | Very high | 90.7 | Very high | 76 Ų | 76 | 121.1 Ų | 121.1 | 36% | 0.355 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -82.6 | -12.9 | -179.2 | -68.4 | 175.6 | 178.4 | 0 | 0 | 113 | K79 A80 I81 M85 K238 | K79-E83 WeakPolarHBondContact CE-OE1 3.23Å; K79-E83 HydrophobicContact CG-CG 4.42Å; K79-E83 WeakPolarHBondContact O-CB 3.16Å; K79-E83 WeakPolarHBondContact O-CG 3.38Å; K79-E83 PolarHBondContact O-N 2.82Å; A80-E83 CarbonylContact O-C 3.55Å; A80-E83 PolarHBondContact O-N 3.42Å; I81-E83 VanDerWaalsContact C-N 3.28Å; I81-E83 PolarHBondContact O-N 3.42Å; E83-M85 HydrophobicContact CB-CG 3.85Å; E83-M85 HydrophobicContact CB-SD 3.94Å; E83-K238 PolarHBondContact O-NZ 3.44Å |
| 84 | R | 88.4 | Confident | 89.7 | Confident | 186 Ų | 186 | 125.9 Ų | 125.9 | 70% | 0.702 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 55.5 | 37.6 | -172.8 | -57 | -178.5 | -177.1 | 179.6 | -0.4 | 112.7 | A80 I81 K82 F86 | A80-R84 WeakPolarHBondContact O-CA 3.39Å; A80-R84 PolarHBondContact O-N 3.37Å; I81-R84 PolarHBondContact O-N 2.96Å; K82-R84 VanDerWaalsContact C-N 3.34Å; R84-F86 HydrophobicContact CB-CD2 4.39Å; R84-F86 HydrophobicContact CB-CE2 4.13Å; R84-F86 HydrophobicContact CG-CE2 4.5Å; R84-F86 PolarHBondContact O-N 3.36Å |
| 85 | M | 89 | Confident | 88.2 | Confident | 127 Ų | 127 | 130.1 Ų | 130.1 | 63% | 0.626 | 64% | 0.636 | S | S | * | * | trans | -88.2 | 86.6 | 177.8 | -69.6 | 179.4 | 62.5 | 0 | 0 | 108.6 | A80 E83 | A80-M85 PolarHBondContact O-N 3.14Å; E83-M85 HydrophobicContact CB-CG 3.85Å; E83-M85 HydrophobicContact CB-SD 3.94Å | ||
| 86 | F | 88.3 | Confident | 86.7 | Confident | 121 Ų | 121 | 131.1 Ų | 131.1 | 53% | 0.531 | 65% | 0.645 | S | S | . | * | trans | -116.7 | 126.4 | 178.7 | -57.5 | -71.1 | 0 | 0 | 0 | 110 | I81 R84 S88 | I81-F86 HydrophobicContact CB-CZ 4.47Å; I81-F86 HydrophobicContact CG1-CE1 4.16Å; I81-F86 HydrophobicContact CG1-CZ 4.12Å; R84-F86 HydrophobicContact CB-CD2 4.39Å; R84-F86 HydrophobicContact CB-CE2 4.13Å; R84-F86 HydrophobicContact CG-CE2 4.5Å; R84-F86 PolarHBondContact O-N 3.36Å; F86-S88 PolarHBondContact O-N 3.21Å | ||
| 87 | D | 90.1 | Very high | 85 | Confident | 175 Ų | 175 | 132.3 Ų | 132.3 | 94% | 0.936 | 65% | 0.654 | S | S | * | * | trans | -87.7 | 32.2 | 175.5 | -60.5 | -28.5 | 0 | 0 | 0 | 111.9 | ||||
| 88 | S | 89 | Confident | 83.3 | Confident | 82 Ų | 82 | 130.8 Ų | 130.8 | 57% | 0.573 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 138.7 | 178.7 | -58.1 | 0 | 0 | 0 | 0 | 111 | F86 V90 | F86-S88 PolarHBondContact O-N 3.21Å; S88-V90 PolarHBondContact O-N 3.28Å |
| 89 | P | 87.9 | Confident | 81.2 | Confident | 130 Ų | 130 | 132.1 Ų | 132.1 | 84% | 0.844 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 130.3 | 178.2 | 26 | -33.6 | 0 | 0 | 0 | 110.6 | ||
| 90 | V | 85.4 | Confident | 78.7 | Confident | 121 Ų | 121 | 132 Ų | 132 | 73% | 0.733 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 136.9 | 177.5 | -177.8 | 0 | 0 | 0 | 0 | 109.9 | S88 K92 | S88-V90 PolarHBondContact O-N 3.28Å; V90-K92 PolarHBondContact O-N 2.78Å; V90-K92 VanDerWaalsContact O-N 3.15Å |
| 91 | F | 84.6 | Confident | 76.7 | Confident | 197 Ų | 197 | 139.4 Ų | 139.4 | 86% | 0.864 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 117.7 | 171.8 | -71.3 | -71.8 | 0 | 0 | 0 | 110.6 | V93 | F91-V93 PolarHBondContact O-N 3Š|
| 92 | K | 83 | Confident | 74.4 | Confident | 206 Ų | 206 | 143.2 Ų | 143.2 | 90% | 0.896 | 73% | 0.729 | S | S | * | * | trans | -76.8 | 102.5 | 175.7 | -63.9 | 179.9 | -178.1 | 178.5 | 0 | 108.7 | V90 K94 | V90-K92 PolarHBondContact O-N 2.78Å; V90-K92 VanDerWaalsContact O-N 3.15Å; K92-K94 PolarHBondContact O-N 2.84Å | ||
| 93 | V | 77.8 | Confident | 72.6 | Confident | 130 Ų | 130 | 142.4 Ų | 142.4 | 79% | 0.788 | 73% | 0.731 | S | S | * | * | trans | -75.3 | 121.5 | 163.5 | -178.2 | 0 | 0 | 0 | 0 | 106.6 | F91 E95 | F91-V93 PolarHBondContact O-N 3Å; V93-E95 PolarHBondContact O-N 3.42Å; V93-E95 VanDerWaalsContact O-N 3.17Å | ||
| 94 | K | 72.5 | Confident | 70.6 | Confident | 179 Ų | 179 | 143.3 Ų | 143.3 | 78% | 0.778 | 74% | 0.744 | S | S | * | * | trans | -59.8 | 122.3 | 171.7 | -69.4 | 177.7 | -177.9 | 171.1 | 0 | 107.2 | K92 V96 | K92-K94 PolarHBondContact O-N 2.84Å; K94-V96 VanDerWaalsContact C-N 3.29Å; K94-V96 PolarHBondContact O-N 3.26Å | ||
| 95 | E | 63.3 | Low | 69.2 | Low | 174 Ų | 174 | 142.2 Ų | 142.2 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | trans | -62.1 | 96.7 | 172 | -65.5 | -175.5 | 166.9 | 0 | 0 | 107.6 | V93 K97 | V93-E95 PolarHBondContact O-N 3.42Å; V93-E95 VanDerWaalsContact O-N 3.17Å; E95-K97 VanDerWaalsContact C-N 3.27Å; E95-K97 PolarHBondContact O-N 3.21Å | ||
| 96 | V | 64.4 | Low | 67.5 | Low | 132 Ų | 132 | 143.5 Ų | 143.5 | 80% | 0.8 | 76% | 0.756 | S | S | * | * | trans | -65.2 | 102.4 | 160.7 | -178.6 | 0 | 0 | 0 | 0 | 103.4 | K94 G98 | K94-V96 VanDerWaalsContact C-N 3.29Å; K94-V96 PolarHBondContact O-N 3.26Å; V96-G98 PolarHBondContact O-N 2.97Å | ||
| 97 | K | 57.4 | Low | 66.1 | Low | 194 Ų | 194 | 145 Ų | 145 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | trans | -58 | 91.4 | 166.5 | -69.5 | -176.2 | 179.2 | -177.7 | 0 | 105.6 | E95 | E95-K97 VanDerWaalsContact C-N 3.27Å; E95-K97 PolarHBondContact O-N 3.21Å | ||
| 98 | G | 59.4 | Low | 64.7 | Low | 46 Ų | 46 | 142.4 Ų | 142.4 | 47% | 0.474 | 76% | 0.759 | S | S | . | * | trans | -53.8 | 148.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | V96 S100 | V96-G98 PolarHBondContact O-N 2.97Å; G98-S100 PolarHBondContact O-N 2.9Å | ||
| 99 | P | 52.3 | Low | 63.8 | Low | 106 Ų | 106 | 143.5 Ų | 143.5 | 69% | 0.688 | 76% | 0.762 | S | S | * | * | trans | -58.3 | 108.8 | -178.7 | 25.6 | -33.3 | 0 | 0 | 0 | 107.7 | K101 | P99-K101 HydrophobicContact CB-CG 4.21Å; P99-K101 PolarHBondContact O-N 3.23Å | ||
| 100 | S | 41.7 | Very low | 63.1 | Low | 112 Ų | 112 | 146.3 Ų | 146.3 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | trans | -70.6 | 87.3 | 171.5 | 65.4 | 0 | 0 | 0 | 0 | 105.9 | G98 E102 | G98-S100 PolarHBondContact O-N 2.9Å; S100-E102 PolarHBondContact O-N 3.38Å | ||
| 101 | K | 51.7 | Low | 62.5 | Low | 174 Ų | 174 | 146.8 Ų | 146.8 | 76% | 0.757 | 76% | 0.756 | S | S | * | * | trans | -77.4 | 59.1 | 175.5 | -66.6 | -177.9 | 176.6 | -177.9 | 0 | 109.4 | P99 | P99-K101 HydrophobicContact CB-CG 4.21Å; P99-K101 PolarHBondContact O-N 3.23Å | ||
| 102 | E | 48.4 | Very low | 62.4 | Low | 177 Ų | 177 | 140.5 Ų | 140.5 | 83% | 0.827 | 74% | 0.737 | S | S | * | * | trans | -103.8 | 80.4 | 153.3 | -68.9 | -176.5 | -165.1 | 0 | 0 | 104.5 | S100 P104 | S100-E102 PolarHBondContact O-N 3.38Å; E102-P104 WeakPolarHBondContact O-CD 3.3Å | ||
| 103 | I | 56.8 | Low | 62.4 | Low | 146 Ų | 146 | 136.7 Ų | 136.7 | 75% | 0.749 | 73% | 0.726 | S | S | * | * | trans | -73.3 | 111 | 168.7 | -57.6 | 165.2 | 0 | 0 | 0 | 104.3 | L105 | I103-L105 PolarHBondContact O-N 2.88Å; I103-L105 VanDerWaalsContact O-N 3.15Å | ||
| 104 | P | 52.3 | Low | 62.7 | Low | 95 Ų | 95 | 134.7 Ų | 134.7 | 62% | 0.617 | 71% | 0.713 | S | S | * | * | trans | -61.9 | 122 | 172.3 | 25.8 | -31.3 | 0 | 0 | 0 | 107.6 | E102 Q106 | E102-P104 WeakPolarHBondContact O-CD 3.3Å; P104-Q106 PolarHBondContact O-N 3.39Å | ||
| 105 | L | 58.9 | Low | 63.3 | Low | 162 Ų | 162 | 131.1 Ų | 131.1 | 85% | 0.848 | 70% | 0.7 | S | S | * | * | trans | -67.9 | 72.5 | 169.5 | -79.5 | 153.1 | 0 | 0 | 0 | 108.5 | I103 | I103-L105 PolarHBondContact O-N 2.88Å; I103-L105 VanDerWaalsContact O-N 3.15Å | ||
| 106 | Q | 52.5 | Low | 64.2 | Low | 155 Ų | 155 | 128.1 Ų | 128.1 | 72% | 0.724 | 69% | 0.685 | S | S | * | * | trans | -107.6 | 118.5 | 169.3 | -83.9 | 178.5 | -18.5 | 0 | 0 | 107.4 | P104 | P104-Q106 PolarHBondContact O-N 3.39Š| ||
| 107 | N | 58 | Low | 65 | Low | 151 Ų | 151 | 128.8 Ų | 128.8 | 81% | 0.807 | 68% | 0.675 | S | S | * | * | trans | 91.1 | 71.5 | 178.4 | -45.1 | -32.9 | 0 | 0 | 0 | 115.1 | V109 | N107-V109 VanDerWaalsContact C-N 3.31Å; N107-V109 PolarHBondContact O-N 3.26Å | ||
| 108 | V | 62.1 | Low | 66.1 | Low | 122 Ų | 122 | 124.4 Ų | 124.4 | 74% | 0.739 | 66% | 0.657 | S | S | * | * | trans | -74.2 | 88.3 | 161.6 | -171.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 109 | V | 70.5 | Confident | 67.1 | Low | 104 Ų | 104 | 123 Ų | 123 | 63% | 0.63 | 64% | 0.643 | S | S | * | * | trans | -71 | 124.6 | 160.8 | -178 | 0 | 0 | 0 | 0 | 106.4 | N107 K111 | N107-V109 VanDerWaalsContact C-N 3.31Å; N107-V109 PolarHBondContact O-N 3.26Å; V109-K111 VanDerWaalsContact C-N 3.35Å; V109-K111 PolarHBondContact O-N 2.93Å | ||
| 110 | Q | 72.6 | Confident | 68.2 | Low | 190 Ų | 190 | 122.9 Ų | 122.9 | 89% | 0.888 | 63% | 0.632 | S | S | * | * | trans | -67.5 | 92.4 | 177.2 | -68 | -174.9 | -9.6 | 0 | 0 | 109.5 | ||||
| 111 | K | 73.1 | Confident | 69.8 | Low | 130 Ų | 130 | 121.2 Ų | 121.2 | 57% | 0.565 | 61% | 0.614 | S | S | * | * | trans | -86.9 | 149.3 | 169 | -65 | -173.5 | 179.9 | -177.3 | 0 | 109.3 | V109 E116 | V109-K111 VanDerWaalsContact C-N 3.35Å; V109-K111 PolarHBondContact O-N 2.93Å; K111-E116 HydrophobicContact CB-CG 4.26Å | ||
| 112 | S | 82.7 | Confident | 70.9 | Confident | 65 Ų | 65 | 119 Ų | 119 | 46% | 0.455 | 60% | 0.604 | S | S | . | * | trans | -66.6 | 144.2 | 173.9 | 176.4 | 0 | 0 | 0 | 0 | 109.8 | V114 E115 E116 | S112-V114 PolarHBondContact O-N 3.38Å; S112-V114 VanDerWaalsContact O-N 3.1Å; S112-V114 PolarHBondContact OG-N 2.88Å; S112-E115 PolarHBondContact N-OE2 2.74Å; S112-E115 WeakPolarHBondContact O-CA 3.3Å; S112-E115 WeakPolarHBondContact O-CB 3.48Å; S112-E115 PolarHBondContact O-N 2.84Å; S112-E116 PolarHBondContact O-N 3.45Å | ||
| 113 | L | 82 | Confident | 71.8 | Confident | 127 Ų | 127 | 117.5 Ų | 117.5 | 67% | 0.665 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -54.5 | -32.3 | 176 | -177.5 | 64 | 0 | 0 | 0 | 111.7 | E116 Y117 | L113-E116 PolarHBondContact O-N 3.29Å; L113-Y117 WeakPolarHBondContact O-CB 3.38Å; L113-Y117 PolarHBondContact O-N 3.46Å |
| 114 | V | 85.2 | Confident | 72.2 | Confident | 87 Ų | 87 | 115.2 Ų | 115.2 | 53% | 0.527 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64 | -45.7 | 174.6 | 179.2 | 0 | 0 | 0 | 0 | 110.9 | S112 E116 Y117 E118 | S112-V114 PolarHBondContact O-N 3.38Å; S112-V114 VanDerWaalsContact O-N 3.1Å; S112-V114 PolarHBondContact OG-N 2.88Å; V114-E116 VanDerWaalsContact C-N 3.33Å; V114-E116 PolarHBondContact O-N 3.45Å; V114-Y117 PolarHBondContact O-N 3.38Å; V114-Y117 VanDerWaalsContact O-N 3.17Å; V114-E118 HydrophobicContact CG1-CG 4.43Å; V114-E118 WeakPolarHBondContact O-CB 3.5Å; V114-E118 WeakPolarHBondContact O-CG 3.42Å; V114-E118 PolarHBondContact O-N 3.01Å |
| 115 | E | 84.5 | Confident | 72.6 | Confident | 105 Ų | 105 | 117.8 Ų | 117.8 | 49% | 0.491 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.7 | -36.2 | 177.6 | -65.4 | 172.1 | 159.1 | 0 | 0 | 111.9 | S112 Y117 G119 | S112-E115 PolarHBondContact N-OE2 2.74Å; S112-E115 WeakPolarHBondContact O-CA 3.3Å; S112-E115 WeakPolarHBondContact O-CB 3.48Å; S112-E115 PolarHBondContact O-N 2.84Å; E115-Y117 VanDerWaalsContact C-N 3.33Å; E115-G119 PolarHBondContact O-N 2.72Å |
| 116 | E | 81.8 | Confident | 72.1 | Confident | 110 Ų | 110 | 114 Ų | 114 | 51% | 0.514 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64 | -41.1 | 172.9 | -69.9 | -169 | 170.4 | 0 | 0 | 111.4 | K111 S112 L113 V114 G119 F120 | K111-E116 HydrophobicContact CB-CG 4.26Å; S112-E116 PolarHBondContact O-N 3.45Å; L113-E116 PolarHBondContact O-N 3.29Å; V114-E116 VanDerWaalsContact C-N 3.33Å; V114-E116 PolarHBondContact O-N 3.45Å; E116-G119 PolarHBondContact O-N 2.88Å; E116-F120 VanDerWaalsContact O-CB 3.24Å; E116-F120 WeakPolarHBondContact O-CB 3.15Å; E116-F120 PolarHBondContact O-N 2.86Å |
| 117 | Y | 81 | Confident | 71.8 | Confident | 147 Ų | 147 | 112.8 Ų | 112.8 | 58% | 0.576 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -69.6 | -42.6 | 177.8 | -130.1 | -88.8 | 0 | 0 | 0 | 112.1 | L113 V114 E115 G119 F120 L121 | L113-Y117 WeakPolarHBondContact O-CB 3.38Å; L113-Y117 PolarHBondContact O-N 3.46Å; V114-Y117 PolarHBondContact O-N 3.38Å; V114-Y117 VanDerWaalsContact O-N 3.17Å; E115-Y117 VanDerWaalsContact C-N 3.33Å; Y117-G119 VanDerWaalsContact C-N 3.35Å; Y117-F120 PolarHBondContact O-N 2.69Å; Y117-L121 HydrophobicContact CD1-CD1 4.18Å; Y117-L121 HydrophobicContact CD1-CG 4.36Å; Y117-L121 WeakPolarHBondContact O-CB 3.4Å; Y117-L121 VanDerWaalsContact O-CG 3.31Å; Y117-L121 WeakPolarHBondContact O-CG 3.3Å; Y117-L121 PolarHBondContact O-N 3.01Å |
| 118 | E | 80.7 | Confident | 71.5 | Confident | 101 Ų | 101 | 114.2 Ų | 114.2 | 47% | 0.472 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62 | -43.3 | 173 | -74.5 | -177.9 | -173.6 | 0 | 0 | 111.3 | V114 F120 L121 K122 | V114-E118 HydrophobicContact CG1-CG 4.43Å; V114-E118 WeakPolarHBondContact O-CB 3.5Å; V114-E118 WeakPolarHBondContact O-CG 3.42Å; V114-E118 PolarHBondContact O-N 3.01Å; E118-F120 VanDerWaalsContact C-N 3.34Å; E118-L121 PolarHBondContact O-N 3.41Å; E118-K122 WeakPolarHBondContact O-CB 3.31Å; E118-K122 VanDerWaalsContact O-CG 3.28Å; E118-K122 WeakPolarHBondContact O-CG 3.13Å; E118-K122 PolarHBondContact O-N 2.66Å |
| 119 | G | 80.3 | Confident | 70.9 | Confident | 18 Ų | 18 | 114.7 Ų | 114.7 | 19% | 0.186 | 56% | 0.558 | C | S | . | * | H | α-helix | trans | -64.5 | -38 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E115 E116 Y117 R123 | E115-G119 PolarHBondContact O-N 2.72Å; E116-G119 PolarHBondContact O-N 2.88Å; Y117-G119 VanDerWaalsContact C-N 3.35Å; G119-R123 WeakPolarHBondContact O-CB 3.41Å; G119-R123 VanDerWaalsContact O-CG 3.28Å; G119-R123 WeakPolarHBondContact O-CG 3.27Å; G119-R123 PolarHBondContact O-N 3.2Å; G119-R123 PolarHBondContact O-NH1 3.38Å |
| 120 | F | 76.1 | Confident | 70.1 | Confident | 103 Ų | 103 | 115.4 Ų | 115.4 | 45% | 0.452 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.3 | -45.7 | 173.6 | 177.9 | -105.1 | 0 | 0 | 0 | 111.5 | E116 Y117 E118 R123 N124 | E116-F120 VanDerWaalsContact O-CB 3.24Å; E116-F120 WeakPolarHBondContact O-CB 3.15Å; E116-F120 PolarHBondContact O-N 2.86Å; Y117-F120 PolarHBondContact O-N 2.69Å; E118-F120 VanDerWaalsContact C-N 3.34Å; F120-R123 PolarHBondContact O-N 3.21Å; F120-N124 WeakPolarHBondContact CD1-ND2 3.16Å; F120-N124 WeakPolarHBondContact CD2-ND2 3.12Å; F120-N124 WeakPolarHBondContact CE1-ND2 3.36Å; F120-N124 WeakPolarHBondContact CE2-ND2 3.48Å; F120-N124 WeakPolarHBondContact CG-ND2 3.34Å; F120-N124 WeakPolarHBondContact CZ-ND2 3.43Å; F120-N124 WeakPolarHBondContact O-CB 3.38Å; F120-N124 PolarHBondContact O-N 3.26Å; F120-N124 PolarHBondContact O-ND2 2.84Å |
| 121 | L | 74.6 | Confident | 69.3 | Low | 77 Ų | 77 | 113.7 Ų | 113.7 | 40% | 0.403 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 176.7 | -73.1 | 170.6 | 0 | 0 | 0 | 111.7 | Y117 E118 N124 Q125 | Y117-L121 HydrophobicContact CD1-CD1 4.18Å; Y117-L121 HydrophobicContact CD1-CG 4.36Å; Y117-L121 WeakPolarHBondContact O-CB 3.4Å; Y117-L121 VanDerWaalsContact O-CG 3.31Å; Y117-L121 WeakPolarHBondContact O-CG 3.3Å; Y117-L121 PolarHBondContact O-N 3.01Å; E118-L121 PolarHBondContact O-N 3.41Å; L121-N124 PolarHBondContact O-N 2.81Å; L121-Q125 VanDerWaalsContact O-CB 3.27Å; L121-Q125 WeakPolarHBondContact O-CB 3.45Å; L121-Q125 VanDerWaalsContact O-CG 3.26Å; L121-Q125 WeakPolarHBondContact O-CG 3.34Å; L121-Q125 PolarHBondContact O-N 3.21Å |
| 122 | K | 74.5 | Confident | 68.9 | Low | 127 Ų | 127 | 108.9 Ų | 108.9 | 55% | 0.552 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.3 | -47.7 | 174.6 | -73.7 | 172.3 | -175 | 174.1 | 0 | 111.9 | E118 N124 Q125 I126 | E118-K122 WeakPolarHBondContact O-CB 3.31Å; E118-K122 VanDerWaalsContact O-CG 3.28Å; E118-K122 WeakPolarHBondContact O-CG 3.13Å; E118-K122 PolarHBondContact O-N 2.66Å; K122-N124 PolarHBondContact O-N 3Å; K122-Q125 PolarHBondContact O-N 3.03Å; K122-I126 WeakPolarHBondContact O-CB 3.05Å; K122-I126 PolarHBondContact O-N 2.87Å |
| 123 | R | 68.8 | Low | 68.8 | Low | 146 Ų | 146 | 111.3 Ų | 111.3 | 55% | 0.551 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.6 | -31.6 | 176 | -74.2 | -175.4 | -146.3 | 102.2 | -4.1 | 113.3 | G119 F120 | G119-R123 WeakPolarHBondContact O-CB 3.41Å; G119-R123 VanDerWaalsContact O-CG 3.28Å; G119-R123 WeakPolarHBondContact O-CG 3.27Å; G119-R123 PolarHBondContact O-N 3.2Å; G119-R123 PolarHBondContact O-NH1 3.38Å; F120-R123 PolarHBondContact O-N 3.21Å |
| 124 | N | 65.1 | Low | 69 | Low | 97 Ų | 97 | 110.3 Ų | 110.3 | 52% | 0.519 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -87 | -23.4 | -179.8 | -68 | -32.5 | 0 | 0 | 0 | 113.4 | F120 L121 K122 | F120-N124 WeakPolarHBondContact CD1-ND2 3.16Å; F120-N124 WeakPolarHBondContact CD2-ND2 3.12Å; F120-N124 WeakPolarHBondContact CE1-ND2 3.36Å; F120-N124 WeakPolarHBondContact CE2-ND2 3.48Å; F120-N124 WeakPolarHBondContact CG-ND2 3.34Å; F120-N124 WeakPolarHBondContact CZ-ND2 3.43Å; F120-N124 WeakPolarHBondContact O-CB 3.38Å; F120-N124 PolarHBondContact O-N 3.26Å; F120-N124 PolarHBondContact O-ND2 2.84Å; L121-N124 PolarHBondContact O-N 2.81Å; K122-N124 PolarHBondContact O-N 3Å |
| 125 | Q | 59 | Low | 69.2 | Low | 150 Ų | 150 | 113.6 Ų | 113.6 | 70% | 0.701 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -93.7 | -24.4 | -179.2 | -71.9 | 177.6 | 7.9 | 0 | 0 | 112.8 | L121 K122 | L121-Q125 VanDerWaalsContact O-CB 3.27Å; L121-Q125 WeakPolarHBondContact O-CB 3.45Å; L121-Q125 VanDerWaalsContact O-CG 3.26Å; L121-Q125 WeakPolarHBondContact O-CG 3.34Å; L121-Q125 PolarHBondContact O-N 3.21Å; K122-Q125 PolarHBondContact O-N 3.03Å |
| 126 | I | 49.4 | Very low | 69.3 | Low | 82 Ų | 82 | 114.1 Ų | 114.1 | 42% | 0.421 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -100.8 | 102.5 | 174.3 | -55.6 | 168.7 | 0 | 0 | 0 | 107.4 | K122 E128 E129 | K122-I126 WeakPolarHBondContact O-CB 3.05Å; K122-I126 PolarHBondContact O-N 2.87Å; I126-E128 PolarHBondContact O-N 3.48Å; I126-E129 HydrophobicContact CG2-CG 4.13Å |
| 127 | L | 45.1 | Very low | 69.6 | Low | 129 Ų | 129 | 110.8 Ų | 110.8 | 68% | 0.675 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.1 | 122.7 | 162.5 | -71.3 | 143.4 | 0 | 0 | 0 | 108.5 | ||
| 128 | E | 51.7 | Low | 70.2 | Confident | 182 Ų | 182 | 106.1 Ų | 106.1 | 85% | 0.85 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67 | 42.9 | 159.2 | -56.7 | -177 | 153.9 | 0 | 0 | 119.3 | I126 D130 | I126-E128 PolarHBondContact O-N 3.48Å; E128-D130 PolarHBondContact O-N 2.92Å; E128-D130 VanDerWaalsContact O-N 3.09Å |
| 129 | E | 49.9 | Very low | 70.8 | Confident | 132 Ų | 132 | 106.3 Ų | 106.3 | 62% | 0.617 | 54% | 0.537 | S | S | * | . | trans | -72.9 | 104.6 | 154.5 | -82.2 | -174.9 | -174.4 | 0 | 0 | 108.9 | I126 Q131 | I126-E129 HydrophobicContact CG2-CG 4.13Å; E129-Q131 VanDerWaalsContact C-N 3.34Å; E129-Q131 PolarHBondContact O-N 3.16Å | ||
| 130 | D | 53.8 | Low | 71.3 | Confident | 118 Ų | 118 | 109.3 Ų | 109.3 | 63% | 0.631 | 55% | 0.546 | S | S | * | . | trans | -49 | 92.7 | 172.5 | -89.4 | -35.9 | 0 | 0 | 0 | 110.7 | E128 G132 N137 | E128-D130 PolarHBondContact O-N 2.92Å; E128-D130 VanDerWaalsContact O-N 3.09Å; D130-G132 PolarHBondContact O-N 3.49Å; D130-N137 WeakPolarHBondContact CB-ND2 3.46Å; D130-N137 PolarHBondContact O-ND2 3.37Å | ||
| 131 | Q | 55.4 | Low | 72.1 | Confident | 154 Ų | 154 | 107.2 Ų | 107.2 | 72% | 0.72 | 55% | 0.548 | S | S | * | . | trans | -67 | 23.3 | 171 | -67.3 | -76.6 | -45.8 | 0 | 0 | 112.5 | E129 | E129-Q131 VanDerWaalsContact C-N 3.34Å; E129-Q131 PolarHBondContact O-N 3.16Å | ||
| 132 | G | 64.9 | Low | 73.1 | Confident | 29 Ų | 29 | 109.7 Ų | 109.7 | 30% | 0.299 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -76.7 | 158.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | D130 | D130-G132 PolarHBondContact O-N 3.49Š|
| 133 | D | 81.1 | Confident | 74.1 | Confident | 117 Ų | 117 | 107.9 Ų | 107.9 | 63% | 0.626 | 55% | 0.552 | S | S | * | * | trans | -51.9 | 128.4 | 170.1 | -62.7 | -46.5 | 0 | 0 | 0 | 109.3 | Q135 K136 N137 | D133-Q135 PolarHBondContact O-N 3.06Å; D133-Q135 VanDerWaalsContact O-N 3.08Å; D133-K136 HydrophobicContact CB-CB 4.13Å; D133-K136 WeakPolarHBondContact O-CA 3.41Å; D133-K136 VanDerWaalsContact O-CB 3.31Å; D133-K136 WeakPolarHBondContact O-CB 3.44Å; D133-K136 PolarHBondContact O-N 3.06Å; D133-N137 PolarHBondContact O-N 3.16Å; D133-N137 VanDerWaalsContact O-N 3.13Å | ||
| 134 | P | 86.5 | Confident | 75.2 | Confident | 106 Ų | 106 | 106.5 Ų | 106.5 | 69% | 0.688 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -58.6 | -31.7 | -174.3 | 22 | -33.5 | 0 | 0 | 0 | 112.1 | N137 A138 | P134-N137 PolarHBondContact O-N 3.48Å; P134-A138 WeakPolarHBondContact O-CB 3.35Å; P134-A138 PolarHBondContact O-N 3.36Å |
| 135 | Q | 88.2 | Confident | 76.7 | Confident | 156 Ų | 156 | 107 Ų | 107 | 73% | 0.729 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62.7 | -41.1 | 172.7 | -66.9 | -178.3 | -29.5 | 0 | 0 | 112.5 | D133 A138 I139 | D133-Q135 PolarHBondContact O-N 3.06Å; D133-Q135 VanDerWaalsContact O-N 3.08Å; Q135-A138 PolarHBondContact O-N 3.02Å; Q135-I139 WeakPolarHBondContact O-CD1 3.23Å; Q135-I139 VanDerWaalsContact O-CG1 3.22Å; Q135-I139 WeakPolarHBondContact O-CG1 3.25Å; Q135-I139 PolarHBondContact O-N 3.4Å |
| 136 | K | 88.1 | Confident | 78.5 | Confident | 115 Ų | 115 | 104.3 Ų | 104.3 | 50% | 0.5 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.6 | -42 | 178.5 | -176.3 | -173.6 | 173.4 | -167.6 | 0 | 111 | D133 I139 Q140 | D133-K136 HydrophobicContact CB-CB 4.13Å; D133-K136 WeakPolarHBondContact O-CA 3.41Å; D133-K136 VanDerWaalsContact O-CB 3.31Å; D133-K136 WeakPolarHBondContact O-CB 3.44Å; D133-K136 PolarHBondContact O-N 3.06Å; K136-I139 PolarHBondContact O-N 3.25Å; K136-Q140 VanDerWaalsContact O-CG 3.31Å; K136-Q140 WeakPolarHBondContact O-CG 3.46Å; K136-Q140 PolarHBondContact O-N 2.89Å |
| 137 | N | 88.4 | Confident | 80.6 | Confident | 41 Ų | 41 | 103.8 Ų | 103.8 | 22% | 0.219 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -66 | -40.4 | 177.8 | -61.5 | -5 | 0 | 0 | 0 | 110.9 | D130 D133 P134 Q140 A141 | D130-N137 WeakPolarHBondContact CB-ND2 3.46Å; D130-N137 PolarHBondContact O-ND2 3.37Å; D133-N137 PolarHBondContact O-N 3.16Å; D133-N137 VanDerWaalsContact O-N 3.13Å; P134-N137 PolarHBondContact O-N 3.48Å; N137-Q140 PolarHBondContact O-N 3.49Å; N137-A141 PolarHBondContact O-N 2.87Å |
| 138 | A | 92.2 | Very high | 82.9 | Confident | 48 Ų | 48 | 101.1 Ų | 101.1 | 40% | 0.397 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.3 | -47.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | P134 Q135 Q140 A141 E142 | P134-A138 WeakPolarHBondContact O-CB 3.35Å; P134-A138 PolarHBondContact O-N 3.36Å; Q135-A138 PolarHBondContact O-N 3.02Å; A138-Q140 VanDerWaalsContact C-N 3.3Å; A138-Q140 PolarHBondContact O-N 2.96Å; A138-A141 PolarHBondContact O-N 3.43Å; A138-E142 WeakPolarHBondContact O-CG 3.25Å; A138-E142 PolarHBondContact O-N 3.44Å |
| 139 | I | 93.6 | Very high | 85.1 | Confident | 106 Ų | 106 | 98 Ų | 98 | 54% | 0.544 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.2 | -40.7 | 175.7 | -68.4 | 163 | 0 | 0 | 0 | 111.1 | Q135 K136 E142 M143 | Q135-I139 WeakPolarHBondContact O-CD1 3.23Å; Q135-I139 VanDerWaalsContact O-CG1 3.22Å; Q135-I139 WeakPolarHBondContact O-CG1 3.25Å; Q135-I139 PolarHBondContact O-N 3.4Å; K136-I139 PolarHBondContact O-N 3.25Å; I139-E142 PolarHBondContact O-N 3.39Å; I139-M143 WeakPolarHBondContact O-CB 3.44Å; I139-M143 PolarHBondContact O-N 3.45Å |
| 140 | Q | 91.1 | Very high | 87.2 | Confident | 81 Ų | 81 | 95.6 Ų | 95.6 | 38% | 0.379 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 176.9 | -76.5 | 177.6 | -9 | 0 | 0 | 112 | K136 N137 A138 M143 L144 | K136-Q140 VanDerWaalsContact O-CG 3.31Å; K136-Q140 WeakPolarHBondContact O-CG 3.46Å; K136-Q140 PolarHBondContact O-N 2.89Å; N137-Q140 PolarHBondContact O-N 3.49Å; A138-Q140 VanDerWaalsContact C-N 3.3Å; A138-Q140 PolarHBondContact O-N 2.96Å; Q140-M143 PolarHBondContact O-N 3.19Å; Q140-L144 WeakPolarHBondContact O-CG 3.33Å; Q140-L144 PolarHBondContact O-N 3.45Å |
| 141 | A | 93 | Very high | 89.2 | Confident | 59 Ų | 59 | 91.3 Ų | 91.3 | 49% | 0.488 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64 | -47.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | N137 A138 M143 L144 E145 | N137-A141 PolarHBondContact O-N 2.87Å; A138-A141 PolarHBondContact O-N 3.43Å; A141-M143 VanDerWaalsContact C-N 3.28Å; A141-M143 PolarHBondContact O-N 2.93Å; A141-L144 PolarHBondContact O-N 3.39Å; A141-E145 PolarHBondContact O-N 3.35Å; A141-E145 VanDerWaalsContact O-N 3.08Å |
| 142 | E | 95.8 | Very high | 91.1 | Very high | 129 Ų | 129 | 92.1 Ų | 92.1 | 60% | 0.603 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -59.6 | -39.3 | 175.3 | -72.1 | 178.1 | -173.4 | 0 | 0 | 111.8 | A138 I139 E145 L146 | A138-E142 WeakPolarHBondContact O-CG 3.25Å; A138-E142 PolarHBondContact O-N 3.44Å; I139-E142 PolarHBondContact O-N 3.39Å; E142-E145 PolarHBondContact O-N 3.28Å; E142-L146 WeakPolarHBondContact O-CB 3.24Å; E142-L146 PolarHBondContact O-N 3.45Å |
| 143 | M | 94.5 | Very high | 92.6 | Very high | 89 Ų | 89 | 97.6 Ų | 97.6 | 44% | 0.438 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.4 | -40.9 | 178.9 | -170 | -177.5 | 82.8 | 0 | 0 | 111.9 | I139 Q140 A141 L146 F147 | I139-M143 WeakPolarHBondContact O-CB 3.44Å; I139-M143 PolarHBondContact O-N 3.45Å; Q140-M143 PolarHBondContact O-N 3.19Å; A141-M143 VanDerWaalsContact C-N 3.28Å; A141-M143 PolarHBondContact O-N 2.93Å; M143-L146 PolarHBondContact O-N 3.33Å; M143-F147 HydrophobicContact CE-CD2 4.41Å; M143-F147 HydrophobicContact CE-CE2 3.91Å; M143-F147 HydrophobicContact CG-CD2 3.66Å; M143-F147 HydrophobicContact CG-CE2 3.26Å; M143-F147 HydrophobicContact CG-CZ 4.09Å; M143-F147 WeakPolarHBondContact O-CD2 3.38Å; M143-F147 WeakPolarHBondContact O-CG 3.49Å; M143-F147 PolarHBondContact O-N 2.95Å; M143-F147 HydrophobicContact SD-CE2 3.7Å; M143-F147 HydrophobicContact SD-CZ 4.46Å |
| 144 | L | 93.2 | Very high | 93.2 | Very high | 116 Ų | 116 | 94.1 Ų | 94.1 | 61% | 0.607 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.8 | -44.1 | 174.8 | -73 | 171.9 | 0 | 0 | 0 | 111.4 | Q140 A141 F147 D148 | Q140-L144 WeakPolarHBondContact O-CG 3.33Å; Q140-L144 PolarHBondContact O-N 3.45Å; A141-L144 PolarHBondContact O-N 3.39Å; L144-F147 PolarHBondContact O-N 2.91Å; L144-D148 PolarHBondContact O-N 3.09Å |
| 145 | E | 96.5 | Very high | 93.6 | Very high | 107 Ų | 107 | 93.2 Ų | 93.2 | 50% | 0.5 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 177.1 | -170.4 | -171.4 | 163.9 | 0 | 0 | 111.9 | A141 E142 K149 | A141-E145 PolarHBondContact O-N 3.35Å; A141-E145 VanDerWaalsContact O-N 3.08Å; E142-E145 PolarHBondContact O-N 3.28Å; E145-K149 WeakPolarHBondContact O-CG 3.18Å; E145-K149 PolarHBondContact O-N 3.49Å; E145-K149 WeakPolarHBondContact OE1-CE 3.49Å; E145-K149 IonicContact OE1-NZ 2.98Å; E145-K149 PolarHBondContact OE1-NZ 3.37Å |
| 146 | L | 95.6 | Very high | 93.8 | Very high | 95 Ų | 95 | 91.5 Ų | 91.5 | 50% | 0.497 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.5 | -45.9 | 177.1 | 178.6 | 62.6 | 0 | 0 | 0 | 111.8 | E142 M143 K149 L150 | E142-L146 WeakPolarHBondContact O-CB 3.24Å; E142-L146 PolarHBondContact O-N 3.45Å; M143-L146 PolarHBondContact O-N 3.33Å; L146-K149 PolarHBondContact O-N 3.28Å; L146-L150 HydrophobicContact CD1-CD1 4.3Å; L146-L150 HydrophobicContact CD1-CG 4.4Å; L146-L150 HydrophobicContact CG-CD1 4.11Å; L146-L150 WeakPolarHBondContact O-CG 3.38Å; L146-L150 PolarHBondContact O-N 3.16Å |
| 147 | F | 94.4 | Very high | 94.2 | Very high | 70 Ų | 70 | 94 Ų | 94 | 31% | 0.307 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.3 | -39.9 | -179.8 | -73.2 | -46.7 | 0 | 0 | 0 | 112.4 | M143 L144 K149 L150 D151 | M143-F147 HydrophobicContact CE-CD2 4.41Å; M143-F147 HydrophobicContact CE-CE2 3.91Å; M143-F147 HydrophobicContact CG-CD2 3.66Å; M143-F147 HydrophobicContact CG-CE2 3.26Å; M143-F147 HydrophobicContact CG-CZ 4.09Å; M143-F147 WeakPolarHBondContact O-CD2 3.38Å; M143-F147 WeakPolarHBondContact O-CG 3.49Å; M143-F147 PolarHBondContact O-N 2.95Å; M143-F147 HydrophobicContact SD-CE2 3.7Å; M143-F147 HydrophobicContact SD-CZ 4.46Å; L144-F147 PolarHBondContact O-N 2.91Å; F147-K149 VanDerWaalsContact C-N 3.25Å; F147-K149 PolarHBondContact O-N 2.89Å; F147-L150 HydrophobicContact CD1-CD1 4.23Å; F147-L150 PolarHBondContact O-N 2.92Å; F147-L150 VanDerWaalsContact O-N 3.12Å; F147-D151 VanDerWaalsContact O-CB 3.32Å; F147-D151 WeakPolarHBondContact O-CB 3.31Å; F147-D151 PolarHBondContact O-N 3.33Å |
| 148 | D | 93.7 | Very high | 94.3 | Very high | 74 Ų | 74 | 95.9 Ų | 95.9 | 40% | 0.396 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.8 | -38.4 | 174 | -178.8 | 42.9 | 0 | 0 | 0 | 111.8 | L144 R152 | L144-D148 PolarHBondContact O-N 3.09Å; D148-R152 WeakPolarHBondContact O-CB 3.47Å; D148-R152 WeakPolarHBondContact O-CD 3.49Å; D148-R152 WeakPolarHBondContact O-CG 3.4Å; D148-R152 PolarHBondContact O-N 3.27Å; D148-R152 VanDerWaalsContact O-N 3.12Å; D148-R152 IonicContact OD1-CZ 2.61Å; D148-R152 IonicContact OD1-NE 3.53Å; D148-R152 PolarHBondContact OD1-NE 3.22Å; D148-R152 IonicContact OD1-NH2 2.71Å; D148-R152 PolarHBondContact OD1-NH2 2.86Å; D148-R152 IonicContact OD2-CZ 2.96Å; D148-R152 IonicContact OD2-NE 3.14Å; D148-R152 PolarHBondContact OD2-NE 3.18Å; D148-R152 IonicContact OD2-NH2 2.63Å; D148-R152 PolarHBondContact OD2-NH2 2.9Å |
| 149 | K | 96.5 | Very high | 94.3 | Very high | 116 Ų | 116 | 99.8 Ų | 99.8 | 50% | 0.504 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.7 | -43.1 | 174 | -69.5 | 169.9 | -173.8 | 169.2 | 0 | 112.7 | E145 L146 F147 L153 | E145-K149 WeakPolarHBondContact O-CG 3.18Å; E145-K149 PolarHBondContact O-N 3.49Å; E145-K149 WeakPolarHBondContact OE1-CE 3.49Å; E145-K149 IonicContact OE1-NZ 2.98Å; E145-K149 PolarHBondContact OE1-NZ 3.37Å; L146-K149 PolarHBondContact O-N 3.28Å; F147-K149 VanDerWaalsContact C-N 3.25Å; F147-K149 PolarHBondContact O-N 2.89Å; K149-L153 WeakPolarHBondContact O-CB 3.15Å; K149-L153 PolarHBondContact O-N 3.28Å |
| 150 | L | 95.6 | Very high | 94.1 | Very high | 82 Ų | 82 | 99.5 Ų | 99.5 | 43% | 0.429 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.3 | -38.5 | 179.6 | -71.6 | 174.2 | 0 | 0 | 0 | 112.3 | L146 F147 R152 L153 S154 | L146-L150 HydrophobicContact CD1-CD1 4.3Å; L146-L150 HydrophobicContact CD1-CG 4.4Å; L146-L150 HydrophobicContact CG-CD1 4.11Å; L146-L150 WeakPolarHBondContact O-CG 3.38Å; L146-L150 PolarHBondContact O-N 3.16Å; F147-L150 HydrophobicContact CD1-CD1 4.23Å; F147-L150 PolarHBondContact O-N 2.92Å; F147-L150 VanDerWaalsContact O-N 3.12Å; L150-R152 VanDerWaalsContact C-N 3.35Å; L150-L153 PolarHBondContact O-N 2.9Å; L150-S154 WeakPolarHBondContact O-CB 3.47Å; L150-S154 PolarHBondContact O-N 2.63Å; L150-S154 PolarHBondContact O-OG 3.27Å |
| 151 | D | 95.4 | Very high | 93.8 | Very high | 28 Ų | 28 | 101.2 Ų | 101.2 | 15% | 0.15 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -64.9 | -41.5 | 177.1 | -69.3 | -10.2 | 0 | 0 | 0 | 110.2 | F147 S154 S155 L156 F158 | F147-D151 VanDerWaalsContact O-CB 3.32Å; F147-D151 WeakPolarHBondContact O-CB 3.31Å; F147-D151 PolarHBondContact O-N 3.33Å; D151-S154 WeakPolarHBondContact CA-OG 3.43Å; D151-S154 PolarHBondContact O-N 3.17Å; D151-S154 PolarHBondContact O-OG 3.11Å; D151-S154 VanDerWaalsContact O-OG 3.08Å; D151-S155 PolarHBondContact O-N 3.15Å; D151-L156 HydrophobicContact CB-CD2 4.22Å; D151-L156 PolarHBondContact O-N 3.08Å; D151-F158 HydrophobicContact CB-CD1 4.01Å; D151-F158 HydrophobicContact CB-CE1 3.87Å; D151-F158 HydrophobicContact CB-CZ 4.49Å |
| 152 | R | 95.7 | Very high | 93.5 | Very high | 171 Ų | 171 | 107.2 Ų | 107.2 | 65% | 0.645 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.1 | -42 | 172.3 | -69.9 | 171.3 | -165.9 | -158.9 | 4.2 | 112.6 | D148 L150 S154 S155 | D148-R152 WeakPolarHBondContact O-CB 3.47Å; D148-R152 WeakPolarHBondContact O-CD 3.49Å; D148-R152 WeakPolarHBondContact O-CG 3.4Å; D148-R152 PolarHBondContact O-N 3.27Å; D148-R152 VanDerWaalsContact O-N 3.12Å; D148-R152 IonicContact OD1-CZ 2.61Å; D148-R152 IonicContact OD1-NE 3.53Å; D148-R152 PolarHBondContact OD1-NE 3.22Å; D148-R152 IonicContact OD1-NH2 2.71Å; D148-R152 PolarHBondContact OD1-NH2 2.86Å; D148-R152 IonicContact OD2-CZ 2.96Å; D148-R152 IonicContact OD2-NE 3.14Å; D148-R152 PolarHBondContact OD2-NE 3.18Å; D148-R152 IonicContact OD2-NH2 2.63Å; D148-R152 PolarHBondContact OD2-NH2 2.9Å; L150-R152 VanDerWaalsContact C-N 3.35Å; R152-S154 VanDerWaalsContact C-N 3.29Å; R152-S154 PolarHBondContact O-N 2.98Å; R152-S155 PolarHBondContact O-N 3.18Å |
| 153 | L | 95.3 | Very high | 92.7 | Very high | 143 Ų | 143 | 110.4 Ų | 110.4 | 75% | 0.749 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.1 | -33.5 | 178.9 | -177.8 | 63.6 | 0 | 0 | 0 | 112.4 | K149 L150 S155 | K149-L153 WeakPolarHBondContact O-CB 3.15Å; K149-L153 PolarHBondContact O-N 3.28Å; L150-L153 PolarHBondContact O-N 2.9Å; L153-S155 VanDerWaalsContact C-N 3.27Å; L153-S155 PolarHBondContact O-N 3.06Å |
| 154 | S | 95 | Very high | 92.1 | Very high | 44 Ų | 44 | 112.9 Ų | 112.9 | 31% | 0.308 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86 | 11.5 | 178.5 | 62 | 0 | 0 | 0 | 0 | 114 | L150 D151 R152 L156 H157 | L150-S154 WeakPolarHBondContact O-CB 3.47Å; L150-S154 PolarHBondContact O-N 2.63Å; L150-S154 PolarHBondContact O-OG 3.27Å; D151-S154 WeakPolarHBondContact CA-OG 3.43Å; D151-S154 PolarHBondContact O-N 3.17Å; D151-S154 PolarHBondContact O-OG 3.11Å; D151-S154 VanDerWaalsContact O-OG 3.08Å; R152-S154 VanDerWaalsContact C-N 3.29Å; R152-S154 PolarHBondContact O-N 2.98Å; S154-L156 PolarHBondContact O-N 2.96Å; S154-H157 WeakPolarHBondContact O-CB 2.97Å; S154-H157 PolarHBondContact O-N 2.98Å |
| 155 | S | 94.2 | Very high | 91.3 | Very high | 88 Ų | 88 | 112 Ų | 112 | 62% | 0.615 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 53.5 | 34.1 | -176.4 | -57.1 | 0 | 0 | 0 | 0 | 113 | D151 R152 L153 H157 | D151-S155 PolarHBondContact O-N 3.15Å; R152-S155 PolarHBondContact O-N 3.18Å; L153-S155 VanDerWaalsContact C-N 3.27Å; L153-S155 PolarHBondContact O-N 3.06Å; S155-H157 PolarHBondContact O-N 3.5Å |
| 156 | L | 92.7 | Very high | 90.4 | Very high | 120 Ų | 120 | 110.8 Ų | 110.8 | 63% | 0.628 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.3 | 21.3 | -177.5 | -52.2 | 171.8 | 0 | 0 | 0 | 114.7 | D151 S154 F158 | D151-L156 HydrophobicContact CB-CD2 4.22Å; D151-L156 PolarHBondContact O-N 3.08Å; S154-L156 PolarHBondContact O-N 2.96Å; L156-F158 HydrophobicContact CB-CE1 4.31Å; L156-F158 HydrophobicContact CD2-CE1 4.12Å; L156-F158 PolarHBondContact O-N 2.61Å |
| 157 | H | 95.5 | Very high | 89.5 | Confident | 166 Ų | 166 | 112 Ų | 112 | 77% | 0.769 | 59% | 0.585 | S | S | * | * | trans | -94.6 | 66.2 | 173.7 | -64.7 | -57.6 | 0 | 0 | 0 | 111.8 | S154 S155 | S154-H157 WeakPolarHBondContact O-CB 2.97Å; S154-H157 PolarHBondContact O-N 2.98Å; S155-H157 PolarHBondContact O-N 3.5Å | ||
| 158 | F | 91.2 | Very high | 88.8 | Confident | 82 Ų | 82 | 115 Ų | 115 | 36% | 0.36 | 61% | 0.609 | S | S | . | * | S | Bend | trans | -121.3 | 166.2 | -179.8 | 63.2 | -86.2 | 0 | 0 | 0 | 112.2 | D151 L156 P160 | D151-F158 HydrophobicContact CB-CD1 4.01Å; D151-F158 HydrophobicContact CB-CE1 3.87Å; D151-F158 HydrophobicContact CB-CZ 4.49Å; L156-F158 HydrophobicContact CB-CE1 4.31Å; L156-F158 HydrophobicContact CD2-CE1 4.12Å; L156-F158 PolarHBondContact O-N 2.61Å; F158-P160 WeakPolarHBondContact O-CD 3.2Å |
| 159 | V | 91.9 | Very high | 88 | Confident | 130 Ų | 130 | 116.6 Ų | 116.6 | 79% | 0.788 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 118.7 | 172.1 | 179.1 | 0 | 0 | 0 | 0 | 108 | ||
| 160 | P | 89.8 | Confident | 87.3 | Confident | 100 Ų | 100 | 114.5 Ų | 114.5 | 65% | 0.649 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -54 | 147.8 | -178.2 | -26.9 | 34.4 | 0 | 0 | 0 | 112.7 | F158 | F158-P160 WeakPolarHBondContact O-CD 3.2Š|
| 161 | H | 85.3 | Confident | 86.8 | Confident | 117 Ų | 117 | 117.3 Ų | 117.3 | 54% | 0.542 | 64% | 0.639 | S | S | . | * | P | Polyproline II helix | trans | -56.6 | 146.9 | 177.8 | -63.1 | 165.6 | 0 | 0 | 0 | 111.4 | Y163 | H161-Y163 PolarHBondContact O-N 3.17Š|
| 162 | K | 85.5 | Confident | 86.5 | Confident | 184 Ų | 184 | 119.7 Ų | 119.7 | 80% | 0.8 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 131.3 | 176 | -67.3 | 174.3 | -176.3 | 166.2 | 0 | 108.6 | I164 | K162-I164 PolarHBondContact O-N 2.81Å; K162-I164 VanDerWaalsContact O-N 3.1Å |
| 163 | Y | 80.2 | Confident | 86.3 | Confident | 197 Ų | 197 | 114 Ų | 114 | 77% | 0.773 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 118.3 | 175.1 | 177.2 | -99.9 | 0 | 0 | 0 | 110.3 | H161 P165 | H161-Y163 PolarHBondContact O-N 3.17Å; Y163-P165 HydrophobicContact CE1-CB 3.93Å |
| 164 | I | 80 | Confident | 86.1 | Confident | 140 Ų | 140 | 109 Ų | 109 | 72% | 0.718 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 123.2 | 168 | -60.2 | 170.7 | 0 | 0 | 0 | 105.3 | K162 A166 | K162-I164 PolarHBondContact O-N 2.81Å; K162-I164 VanDerWaalsContact O-N 3.1Å; I164-A166 PolarHBondContact O-N 2.72Å |
| 165 | P | 78.1 | Confident | 85.9 | Confident | 99 Ų | 99 | 107.6 Ų | 107.6 | 64% | 0.643 | 60% | 0.604 | S | S | * | * | trans | -64.9 | 102.1 | 176.2 | 26.5 | -32.4 | 0 | 0 | 0 | 109.2 | Y163 | Y163-P165 HydrophobicContact CE1-CB 3.93Š| ||
| 166 | A | 77.5 | Confident | 85.6 | Confident | 80 Ų | 80 | 106 Ų | 106 | 66% | 0.661 | 59% | 0.593 | S | S | * | * | trans | -79.5 | 127.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | I164 T168 | I164-A166 PolarHBondContact O-N 2.72Å; A166-T168 PolarHBondContact O-N 2.96Å | ||
| 167 | S | 76.2 | Confident | 85.4 | Confident | 122 Ų | 122 | 107.1 Ų | 107.1 | 85% | 0.853 | 59% | 0.593 | S | S | * | * | trans | -89.3 | 94.9 | 173.6 | 57.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 168 | T | 78.6 | Confident | 85.1 | Confident | 133 Ų | 133 | 105.8 Ų | 105.8 | 82% | 0.816 | 59% | 0.591 | S | S | * | * | trans | -82.7 | 120.3 | 171.9 | -50.7 | 0 | 0 | 0 | 0 | 109.5 | A166 | A166-T168 PolarHBondContact O-N 2.96Š| ||
| 169 | S | 78.7 | Confident | 85.1 | Confident | 107 Ų | 107 | 104.8 Ų | 104.8 | 75% | 0.748 | 59% | 0.587 | S | S | * | * | trans | -91.7 | 110.2 | 172.3 | 58.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 170 | A | 81.3 | Confident | 85.1 | Confident | 71 Ų | 71 | 107.3 Ų | 107.3 | 59% | 0.587 | 59% | 0.59 | S | S | * | * | trans | -88.4 | 140.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L192 | A170-L192 HydrophobicContact CB-CD1 4.13Š| ||
| 171 | K | 85.8 | Confident | 85.1 | Confident | 141 Ų | 141 | 108.4 Ų | 108.4 | 61% | 0.613 | 60% | 0.6 | S | S | * | * | trans | -93.6 | 153.8 | 171.9 | -68.6 | 176.8 | -178.1 | 172.1 | 0 | 109.9 | D173 L192 | K171-D173 PolarHBondContact O-N 2.82Å; K171-L192 WeakPolarHBondContact O-CD1 3.48Å | ||
| 172 | N | 88.6 | Confident | 85.2 | Confident | 79 Ų | 79 | 105.2 Ų | 105.2 | 42% | 0.422 | 60% | 0.599 | S | S | . | * | S | Bend | trans | -75.4 | 70.3 | 175.8 | -169.1 | 14.6 | 0 | 0 | 0 | 111.5 | L192 I197 | N172-L192 HydrophobicContact CB-CD1 4.44Å; N172-L192 HydrophobicContact CB-CD2 4.21Å; N172-I197 WeakPolarHBondContact ND2-CD1 3.41Å |
| 173 | D | 90 | Very high | 85.5 | Confident | 52 Ų | 52 | 103.1 Ų | 103.1 | 28% | 0.278 | 60% | 0.604 | S | S | . | * | trans | -101.6 | 159.8 | 175.8 | -78.8 | -49.7 | 0 | 0 | 0 | 111.1 | K171 K177 L191 | K171-D173 PolarHBondContact O-N 2.82Å; D173-K177 HydrophobicContact CB-CD 3.99Å; D173-K177 IonicContact OD1-NZ 2.66Å; D173-K177 PolarHBondContact OD1-NZ 3.03Å; D173-L191 HydrophobicContact CB-CD1 4.12Å; D173-L191 WeakPolarHBondContact O-CG 2.97Å; D173-L191 PolarHBondContact O-N 3.1Å | ||
| 174 | A | 91.5 | Very high | 86 | Confident | 36 Ų | 36 | 98.8 Ų | 98.8 | 30% | 0.298 | 60% | 0.599 | S | S | . | * | B | Isolated β-bridge | trans | -63.6 | 139.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | S176 K177 | A174-S176 PolarHBondContact O-N 2.91Å; A174-S176 VanDerWaalsContact O-N 3.13Å; A174-K177 WeakPolarHBondContact O-CB 3.44Å; A174-K177 PolarHBondContact O-N 2.89Å |
| 175 | A | 91.2 | Very high | 86.3 | Confident | 15 Ų | 15 | 96.5 Ų | 96.5 | 12% | 0.124 | 59% | 0.591 | C | S | . | * | G | 310 helix | trans | -58.2 | -28.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | K177 L178 E179 A189 L191 | A175-K177 PolarHBondContact O-N 2.83Å; A175-K177 VanDerWaalsContact O-N 3.09Å; A175-L178 WeakPolarHBondContact O-CB 3.21Å; A175-L178 PolarHBondContact O-N 3.15Å; A175-E179 PolarHBondContact O-N 2.78Å; A175-A189 WeakPolarHBondContact CB-O 3.44Å; A175-A189 PolarHBondContact N-O 2.91Å; A175-L191 HydrophobicContact CB-CD2 4.29Å |
| 176 | S | 88.2 | Confident | 86.9 | Confident | 54 Ų | 54 | 98 Ų | 98 | 38% | 0.378 | 60% | 0.598 | S | S | . | * | G | 310 helix | trans | -59.2 | -21.5 | 176.3 | 83.5 | 0 | 0 | 0 | 0 | 113.7 | A174 L178 E179 | A174-S176 PolarHBondContact O-N 2.91Å; A174-S176 VanDerWaalsContact O-N 3.13Å; S176-L178 VanDerWaalsContact C-N 3.27Å; S176-E179 PolarHBondContact O-N 3.24Å |
| 177 | K | 89 | Confident | 87.4 | Confident | 145 Ų | 145 | 96 Ų | 96 | 63% | 0.63 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -73 | -21.2 | 175.6 | -64.6 | -165.8 | -170.2 | 171.5 | 0 | 113.1 | D173 A174 A175 | D173-K177 HydrophobicContact CB-CD 3.99Å; D173-K177 IonicContact OD1-NZ 2.66Å; D173-K177 PolarHBondContact OD1-NZ 3.03Å; A174-K177 WeakPolarHBondContact O-CB 3.44Å; A174-K177 PolarHBondContact O-N 2.89Å; A175-K177 PolarHBondContact O-N 2.83Å; A175-K177 VanDerWaalsContact O-N 3.09Å |
| 178 | L | 89.4 | Confident | 88 | Confident | 138 Ų | 138 | 97.2 Ų | 97.2 | 72% | 0.723 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -17.8 | 177.2 | -173.1 | 63.6 | 0 | 0 | 0 | 111.8 | A175 S176 L191 | A175-L178 WeakPolarHBondContact O-CB 3.21Å; A175-L178 PolarHBondContact O-N 3.15Å; S176-L178 VanDerWaalsContact C-N 3.27Å; L178-L191 HydrophobicContact CB-CD2 4.41Å; L178-L191 HydrophobicContact CD2-CD2 4.04Å |
| 179 | E | 90 | Very high | 88.7 | Confident | 61 Ų | 61 | 93.5 Ų | 93.5 | 29% | 0.285 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -68.3 | 147.4 | 179 | -67.9 | -177.4 | -176.1 | 0 | 0 | 111.5 | A175 S176 V186 S187 | A175-E179 PolarHBondContact O-N 2.78Å; S176-E179 PolarHBondContact O-N 3.24Å; E179-V186 PolarHBondContact OE2-N 3.05Å; E179-V186 VanDerWaalsContact OE2-N 3.11Å; E179-S187 WeakPolarHBondContact OE1-CB 3.45Å; E179-S187 PolarHBondContact OE1-N 3Å |
| 180 | E | 92 | Very high | 89.3 | Confident | 182 Ų | 182 | 92.9 Ų | 92.9 | 85% | 0.85 | 55% | 0.552 | S | S | * | * | trans | -61.2 | 144.8 | 170.4 | -175.5 | 178.9 | 174.8 | 0 | 0 | 109.7 | G182 | E180-G182 PolarHBondContact O-N 2.85Š| ||
| 181 | S | 89.4 | Confident | 89.7 | Confident | 123 Ų | 123 | 92.9 Ų | 92.9 | 86% | 0.86 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -63.6 | 100.3 | 177.2 | 58.2 | 0 | 0 | 0 | 0 | 110.8 | ||
| 182 | G | 88.4 | Confident | 90 | Very high | 50 Ų | 50 | 88.1 Ų | 88.1 | 52% | 0.515 | 52% | 0.523 | S | S | . | . | trans | -129.1 | 168.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E180 T184 | E180-G182 PolarHBondContact O-N 2.85Å; G182-T184 PolarHBondContact O-N 2.88Å | ||
| 183 | P | 90.9 | Very high | 90 | Very high | 141 Ų | 141 | 86.4 Ų | 86.4 | 92% | 0.916 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -72.2 | -6 | -179.5 | 29.9 | -35.8 | 0 | 0 | 0 | 113.9 | ||
| 184 | T | 90.5 | Very high | 90.1 | Very high | 106 Ų | 106 | 89 Ų | 89 | 65% | 0.65 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -138.4 | 135.3 | -177 | -53.8 | 0 | 0 | 0 | 0 | 109.8 | G182 | G182-T184 PolarHBondContact O-N 2.88Š|
| 185 | V | 87.9 | Confident | 90 | Very high | 92 Ų | 92 | 93.6 Ų | 93.6 | 56% | 0.558 | 56% | 0.555 | S | S | * | * | trans | -88.3 | 128.8 | 172.7 | 177.4 | 0 | 0 | 0 | 0 | 108.4 | S187 | V185-S187 VanDerWaalsContact CG1-O 3.3Å; V185-S187 WeakPolarHBondContact CG1-O 3.31Å | ||
| 186 | V | 89.2 | Confident | 89.9 | Confident | 130 Ų | 130 | 98.9 Ų | 98.9 | 79% | 0.788 | 58% | 0.577 | S | S | * | * | trans | -91 | -45.8 | -179.1 | -179.1 | 0 | 0 | 0 | 0 | 110.7 | E179 | E179-V186 PolarHBondContact OE2-N 3.05Å; E179-V186 VanDerWaalsContact OE2-N 3.11Å | ||
| 187 | S | 87.9 | Confident | 90 | Very high | 39 Ų | 39 | 100.4 Ų | 100.4 | 27% | 0.273 | 58% | 0.58 | S | S | . | * | trans | -103.4 | 135.5 | -174.1 | -171.4 | 0 | 0 | 0 | 0 | 113.4 | E179 V185 A189 | E179-S187 WeakPolarHBondContact OE1-CB 3.45Å; E179-S187 PolarHBondContact OE1-N 3Å; V185-S187 VanDerWaalsContact CG1-O 3.3Å; V185-S187 WeakPolarHBondContact CG1-O 3.31Å; S187-A189 PolarHBondContact OG-N 3Å | ||
| 188 | T | 90.7 | Very high | 89.9 | Confident | 146 Ų | 146 | 97.9 Ų | 97.9 | 90% | 0.896 | 58% | 0.58 | S | S | * | * | trans | -105 | 1 | 173.8 | 55.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 189 | A | 91.9 | Very high | 89.7 | Confident | 55 Ų | 55 | 96 Ų | 96 | 46% | 0.455 | 58% | 0.576 | S | S | . | * | S | Bend | trans | -82.1 | 163.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A175 S187 | A175-A189 WeakPolarHBondContact CB-O 3.44Å; A175-A189 PolarHBondContact N-O 2.91Å; S187-A189 PolarHBondContact OG-N 3Å |
| 190 | N | 92.1 | Very high | 89.1 | Confident | 94 Ų | 94 | 97.2 Ų | 97.2 | 50% | 0.503 | 59% | 0.589 | S | S | . | * | B | Isolated β-bridge | trans | -88.5 | 159 | 167 | -67.8 | -24.4 | 0 | 0 | 0 | 110.6 | ||
| 191 | L | 90.2 | Very high | 88 | Confident | 72 Ų | 72 | 97.8 Ų | 97.8 | 38% | 0.377 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -67.4 | -34.6 | -179 | -69.8 | 179.3 | 0 | 0 | 0 | 113.5 | D173 A175 L178 | D173-L191 HydrophobicContact CB-CD1 4.12Å; D173-L191 WeakPolarHBondContact O-CG 2.97Å; D173-L191 PolarHBondContact O-N 3.1Å; A175-L191 HydrophobicContact CB-CD2 4.29Å; L178-L191 HydrophobicContact CB-CD2 4.41Å; L178-L191 HydrophobicContact CD2-CD2 4.04Å |
| 192 | L | 90.7 | Very high | 87.3 | Confident | 40 Ų | 40 | 95.8 Ų | 95.8 | 21% | 0.209 | 58% | 0.582 | C | S | . | * | S | Bend | trans | -90.3 | 138.9 | 179.4 | -90.3 | 65.7 | 0 | 0 | 0 | 111.3 | A170 K171 N172 E196 I197 | A170-L192 HydrophobicContact CB-CD1 4.13Å; K171-L192 WeakPolarHBondContact O-CD1 3.48Å; N172-L192 HydrophobicContact CB-CD1 4.44Å; N172-L192 HydrophobicContact CB-CD2 4.21Å; L192-E196 VanDerWaalsContact CA-OE2 3.28Å; L192-E196 WeakPolarHBondContact CA-OE2 3.28Å; L192-E196 HydrophobicContact CB-CB 4.38Å; L192-E196 HydrophobicContact CD2-CB 4.3Å; L192-E196 HydrophobicContact CG-CB 4.26Å; L192-E196 WeakPolarHBondContact CG-OE2 3.44Å; L192-I197 HydrophobicContact CB-CD1 4.32Å; L192-I197 HydrophobicContact CB-CG1 4.02Å; L192-I197 HydrophobicContact CD2-CG1 4.37Å |
| 193 | A | 89.5 | Confident | 86.7 | Confident | 44 Ų | 44 | 99 Ų | 99 | 36% | 0.364 | 58% | 0.584 | S | S | . | * | trans | -69.8 | 153.3 | 172 | 0 | 0 | 0 | 0 | 0 | 111 | E195 E196 I197 | A193-E195 PolarHBondContact O-N 2.95Å; A193-E195 VanDerWaalsContact O-N 3.12Å; A193-E196 HydrophobicContact CB-CG 4.19Å; A193-E196 PolarHBondContact N-OE2 2.9Å; A193-E196 WeakPolarHBondContact O-CB 3.24Å; A193-E196 PolarHBondContact O-N 3.42Å; A193-I197 PolarHBondContact O-N 3Å | ||
| 194 | P | 90.9 | Very high | 86.2 | Confident | 105 Ų | 105 | 99.7 Ų | 99.7 | 68% | 0.682 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -54.9 | -32.2 | 174.9 | -27 | 35.2 | 0 | 0 | 0 | 113.6 | I197 C198 | P194-I197 PolarHBondContact O-N 2.83Å; P194-C198 PolarHBondContact O-N 3.1Å |
| 195 | E | 90.9 | Very high | 85.7 | Confident | 133 Ų | 133 | 100.3 Ų | 100.3 | 62% | 0.621 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -71.7 | -25.6 | 177.1 | -63.4 | -172.7 | 174.2 | 0 | 0 | 113.5 | A193 C198 P199 | A193-E195 PolarHBondContact O-N 2.95Å; A193-E195 VanDerWaalsContact O-N 3.12Å; E195-C198 WeakPolarHBondContact CA-O 3.31Å; E195-C198 CarbonylContact O-C 3.3Å; E195-C198 VanDerWaalsContact O-C 3.3Å; E195-P199 WeakPolarHBondContact O-CA 3.39Å |
| 196 | E | 89.3 | Confident | 85.6 | Confident | 127 Ų | 127 | 99.4 Ų | 99.4 | 59% | 0.593 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -79.8 | -33.3 | 175.9 | -64.5 | 173.3 | 151.6 | 0 | 0 | 111 | L192 A193 | L192-E196 VanDerWaalsContact CA-OE2 3.28Å; L192-E196 WeakPolarHBondContact CA-OE2 3.28Å; L192-E196 HydrophobicContact CB-CB 4.38Å; L192-E196 HydrophobicContact CD2-CB 4.3Å; L192-E196 HydrophobicContact CG-CB 4.26Å; L192-E196 WeakPolarHBondContact CG-OE2 3.44Å; A193-E196 HydrophobicContact CB-CG 4.19Å; A193-E196 PolarHBondContact N-OE2 2.9Å; A193-E196 WeakPolarHBondContact O-CB 3.24Å; A193-E196 PolarHBondContact O-N 3.42Å |
| 197 | I | 89.2 | Confident | 85.4 | Confident | 86 Ų | 86 | 94.8 Ų | 94.8 | 44% | 0.441 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -74 | -42.6 | 173.4 | -57.1 | 168 | 0 | 0 | 0 | 110.2 | N172 L192 A193 P194 | N172-I197 WeakPolarHBondContact ND2-CD1 3.41Å; L192-I197 HydrophobicContact CB-CD1 4.32Å; L192-I197 HydrophobicContact CB-CG1 4.02Å; L192-I197 HydrophobicContact CD2-CG1 4.37Å; A193-I197 PolarHBondContact O-N 3Å; P194-I197 PolarHBondContact O-N 2.83Å |
| 198 | C | 87.5 | Confident | 85.3 | Confident | 91 Ų | 91 | 101.6 Ų | 101.6 | 62% | 0.615 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -134.8 | 95.7 | -177.3 | -79.4 | 0 | 0 | 0 | 0 | 109.6 | P194 E195 | P194-C198 PolarHBondContact O-N 3.1Å; E195-C198 WeakPolarHBondContact CA-O 3.31Å; E195-C198 CarbonylContact O-C 3.3Å; E195-C198 VanDerWaalsContact O-C 3.3Å |
| 199 | P | 85 | Confident | 85.2 | Confident | 98 Ų | 98 | 102.5 Ų | 102.5 | 64% | 0.636 | 57% | 0.571 | S | S | * | * | trans | -59.8 | 136.8 | -177.4 | 23.8 | -33.8 | 0 | 0 | 0 | 110.7 | E195 R201 | E195-P199 WeakPolarHBondContact O-CA 3.39Å; P199-R201 PolarHBondContact O-N 3.3Å | ||
| 200 | P | 78 | Confident | 85.1 | Confident | 88 Ų | 88 | 106.8 Ų | 106.8 | 57% | 0.571 | 58% | 0.581 | S | S | * | * | trans | -59.4 | 116.6 | -179.9 | 23.2 | -32.3 | 0 | 0 | 0 | 109 | G202 | P200-G202 PolarHBondContact O-N 2.98Š| ||
| 201 | R | 67.5 | Low | 85 | Confident | 194 Ų | 194 | 105.9 Ų | 105.9 | 73% | 0.732 | 57% | 0.57 | S | S | * | * | trans | -73.2 | 84.3 | 170.7 | -66.9 | 179.4 | 178.7 | -170.4 | 2.7 | 106.4 | P199 E203 | P199-R201 PolarHBondContact O-N 3.3Å; R201-E203 VanDerWaalsContact C-N 3.28Å; R201-E203 CarbonylContact O-C 3.52Å; R201-E203 PolarHBondContact O-N 2.82Å | ||
| 202 | G | 76.1 | Confident | 85 | Confident | 80 Ų | 80 | 106 Ų | 106 | 83% | 0.825 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -44 | -46.6 | -163.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | P200 | P200-G202 PolarHBondContact O-N 2.98Š|
| 203 | E | 74.5 | Confident | 85 | Confident | 118 Ų | 118 | 110.4 Ų | 110.4 | 55% | 0.551 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -103.5 | 142.9 | 172.4 | -72.8 | 173.6 | 165.6 | 0 | 0 | 110.6 | R201 L205 K222 | R201-E203 VanDerWaalsContact C-N 3.28Å; R201-E203 CarbonylContact O-C 3.52Å; R201-E203 PolarHBondContact O-N 2.82Å; E203-L205 PolarHBondContact O-N 2.8Å; E203-K222 IonicContact OE1-NZ 3.28Å; E203-K222 PolarHBondContact OE1-NZ 3.27Å; E203-K222 IonicContact OE2-NZ 3.26Å; E203-K222 PolarHBondContact OE2-NZ 3.36Å |
| 204 | I | 80.6 | Confident | 85.2 | Confident | 155 Ų | 155 | 111.6 Ų | 111.6 | 80% | 0.795 | 61% | 0.607 | S | S | * | * | trans | -50.1 | 127.1 | 171.4 | -55.8 | 168.9 | 0 | 0 | 0 | 108.4 | I206 | I204-I206 PolarHBondContact O-N 2.99Š| ||
| 205 | L | 80.6 | Confident | 85.2 | Confident | 120 Ų | 120 | 109.6 Ų | 109.6 | 63% | 0.628 | 59% | 0.591 | S | S | * | * | trans | -71.7 | 92.2 | -178.5 | -67.8 | -178.7 | 0 | 0 | 0 | 110.2 | E203 | E203-L205 PolarHBondContact O-N 2.8Š| ||
| 206 | I | 84.9 | Confident | 85.2 | Confident | 73 Ų | 73 | 109.8 Ų | 109.8 | 37% | 0.374 | 59% | 0.586 | S | S | . | * | trans | -86.7 | 127.5 | 172.1 | -54.7 | 173.2 | 0 | 0 | 0 | 109.1 | I204 E210 R211 | I204-I206 PolarHBondContact O-N 2.99Å; I206-E210 HydrophobicContact CG2-CB 3.68Å; I206-R211 HydrophobicContact CB-CG 4.33Å; I206-R211 HydrophobicContact CG2-CG 3.79Å; I206-R211 PolarHBondContact O-NE 3.27Å; I206-R211 VanDerWaalsContact O-NE 3.08Å; I206-R211 PolarHBondContact O-NH2 3.37Å | ||
| 207 | G | 85.4 | Confident | 85.4 | Confident | 32 Ų | 32 | 110.5 Ų | 110.5 | 33% | 0.33 | 58% | 0.583 | S | S | . | * | trans | -59.3 | 153.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | N209 E210 R211 | G207-N209 PolarHBondContact O-N 3.46Å; G207-E210 PolarHBondContact N-OE2 2.82Å; G207-E210 PolarHBondContact O-N 2.79Å; G207-R211 WeakPolarHBondContact O-CG 3.5Å | ||
| 208 | K | 86.6 | Confident | 85.6 | Confident | 183 Ų | 183 | 115.5 Ų | 115.5 | 80% | 0.796 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -30.5 | -178.6 | -68.9 | -178.6 | -176.7 | 171.7 | 0 | 112.8 | ||
| 209 | N | 88.9 | Confident | 85.7 | Confident | 165 Ų | 165 | 114.7 Ų | 114.7 | 88% | 0.882 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -24 | -177.2 | -60.7 | -9.5 | 0 | 0 | 0 | 112.8 | G207 R211 | G207-N209 PolarHBondContact O-N 3.46Å; N209-R211 VanDerWaalsContact C-N 3.35Å |
| 210 | E | 89.6 | Confident | 86.1 | Confident | 144 Ų | 144 | 116.4 Ų | 116.4 | 67% | 0.673 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -11.2 | -179.2 | -64.8 | 164.3 | -178.5 | 0 | 0 | 112.4 | I206 G207 T212 | I206-E210 HydrophobicContact CG2-CB 3.68Å; G207-E210 PolarHBondContact N-OE2 2.82Å; G207-E210 PolarHBondContact O-N 2.79Å; E210-T212 PolarHBondContact O-N 3.38Å |
| 211 | R | 88.9 | Confident | 86.9 | Confident | 75 Ų | 75 | 119.9 Ų | 119.9 | 28% | 0.283 | 58% | 0.579 | S | S | . | * | trans | -78.4 | 123.9 | -177.1 | -71 | 174 | -169 | -162.4 | -2.4 | 111.8 | I206 G207 N209 D215 R216 | I206-R211 HydrophobicContact CB-CG 4.33Å; I206-R211 HydrophobicContact CG2-CG 3.79Å; I206-R211 PolarHBondContact O-NE 3.27Å; I206-R211 VanDerWaalsContact O-NE 3.08Å; I206-R211 PolarHBondContact O-NH2 3.37Å; G207-R211 WeakPolarHBondContact O-CG 3.5Å; N209-R211 VanDerWaalsContact C-N 3.35Å; R211-D215 HydrophobicContact CB-CB 4.41Å; R211-R216 HydrophobicContact CB-CG 4.09Å | ||
| 212 | T | 90.6 | Very high | 88.1 | Confident | 76 Ų | 76 | 114.6 Ų | 114.6 | 47% | 0.466 | 56% | 0.561 | S | S | . | * | trans | -63.9 | 162.7 | 170.6 | 72.5 | 0 | 0 | 0 | 0 | 111.3 | E210 A214 D215 R216 | E210-T212 PolarHBondContact O-N 3.38Å; T212-A214 PolarHBondContact O-N 3.46Å; T212-D215 WeakPolarHBondContact CB-OD2 3.42Å; T212-D215 PolarHBondContact N-OD2 3.27Å; T212-D215 PolarHBondContact O-N 2.92Å; T212-D215 PolarHBondContact OG1-N 3.45Å; T212-D215 PolarHBondContact OG1-OD2 2.82Å; T212-R216 PolarHBondContact O-N 2.81Å; T212-R216 VanDerWaalsContact O-N 3.09Å | ||
| 213 | L | 91.4 | Very high | 88.9 | Confident | 131 Ų | 131 | 114 Ų | 114 | 69% | 0.686 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.2 | -35.5 | 173.9 | -73.6 | 169.9 | 0 | 0 | 0 | 112 | R216 R217 | L213-R216 PolarHBondContact O-N 3.17Å; L213-R217 PolarHBondContact O-N 2.98Å |
| 214 | A | 92.3 | Very high | 89.8 | Confident | 69 Ų | 69 | 114 Ų | 114 | 57% | 0.57 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.6 | -45.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | T212 R216 R217 R218 | T212-A214 PolarHBondContact O-N 3.46Å; A214-R216 PolarHBondContact O-N 3.44Å; A214-R217 WeakPolarHBondContact O-CB 3.43Å; A214-R217 PolarHBondContact O-N 3.48Å; A214-R217 VanDerWaalsContact O-N 3.16Å; A214-R218 PolarHBondContact O-N 2.83Å |
| 215 | D | 91.5 | Very high | 90.4 | Very high | 63 Ų | 63 | 114.3 Ų | 114.3 | 34% | 0.337 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 178.4 | -60.6 | -38.8 | 0 | 0 | 0 | 111.6 | R211 T212 R217 R218 H219 | R211-D215 HydrophobicContact CB-CB 4.41Å; T212-D215 WeakPolarHBondContact CB-OD2 3.42Å; T212-D215 PolarHBondContact N-OD2 3.27Å; T212-D215 PolarHBondContact O-N 2.92Å; T212-D215 PolarHBondContact OG1-N 3.45Å; T212-D215 PolarHBondContact OG1-OD2 2.82Å; D215-R217 VanDerWaalsContact C-N 3.29Å; D215-R217 PolarHBondContact O-N 3.08Å; D215-R218 PolarHBondContact O-N 3.39Å; D215-H219 WeakPolarHBondContact O-CB 3.43Å; D215-H219 PolarHBondContact O-N 3.13Å |
| 216 | R | 91.4 | Very high | 90.9 | Very high | 137 Ų | 137 | 111.8 Ų | 111.8 | 52% | 0.517 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.4 | -41.1 | 174.3 | -73.6 | -173.4 | -88.5 | 167.6 | -9.6 | 111.8 | R211 T212 L213 A214 R220 | R211-R216 HydrophobicContact CB-CG 4.09Å; T212-R216 PolarHBondContact O-N 2.81Å; T212-R216 VanDerWaalsContact O-N 3.09Å; L213-R216 PolarHBondContact O-N 3.17Å; A214-R216 PolarHBondContact O-N 3.44Å; R216-R220 WeakPolarHBondContact O-CB 3.22Å; R216-R220 PolarHBondContact O-N 2.98Å |
| 217 | R | 93.7 | Very high | 91.3 | Very high | 143 Ų | 143 | 116 Ų | 116 | 54% | 0.54 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.6 | -42.5 | 177.6 | -161.6 | 178.6 | -155.3 | 176.8 | 6.7 | 111.9 | L213 A214 D215 R220 R221 | L213-R217 PolarHBondContact O-N 2.98Å; A214-R217 WeakPolarHBondContact O-CB 3.43Å; A214-R217 PolarHBondContact O-N 3.48Å; A214-R217 VanDerWaalsContact O-N 3.16Å; D215-R217 VanDerWaalsContact C-N 3.29Å; D215-R217 PolarHBondContact O-N 3.08Å; R217-R220 PolarHBondContact O-N 3.49Å; R217-R221 WeakPolarHBondContact O-CG 3.48Å; R217-R221 PolarHBondContact O-N 2.88Å |
| 218 | R | 92.1 | Very high | 91.4 | Very high | 191 Ų | 191 | 117.9 Ų | 117.9 | 72% | 0.721 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.6 | -49 | 176.2 | -175 | -171.9 | -69.9 | -114.2 | 2.6 | 111.1 | A214 D215 R220 R221 K222 | A214-R218 PolarHBondContact O-N 2.83Å; D215-R218 PolarHBondContact O-N 3.39Å; R218-R220 VanDerWaalsContact C-N 3.33Å; R218-R220 PolarHBondContact O-N 3.12Å; R218-R221 PolarHBondContact O-N 2.96Å; R218-R221 VanDerWaalsContact O-N 3.16Å; R218-K222 PolarHBondContact O-N 2.97Å |
| 219 | H | 90.2 | Very high | 91.5 | Very high | 74 Ų | 74 | 115.9 Ų | 115.9 | 34% | 0.343 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58.3 | -43.3 | 176.8 | 177.7 | -98.6 | 0 | 0 | 0 | 112 | D215 R221 K222 L223 | D215-H219 WeakPolarHBondContact O-CB 3.43Å; D215-H219 PolarHBondContact O-N 3.13Å; H219-R221 PolarHBondContact O-N 3.3Å; H219-K222 WeakPolarHBondContact O-CB 3.41Å; H219-K222 PolarHBondContact O-N 2.85Å; H219-L223 WeakPolarHBondContact CE1-CD1 3.47Å; H219-L223 WeakPolarHBondContact O-CG 3.19Å; H219-L223 PolarHBondContact O-N 3.44Å |
| 220 | R | 92.7 | Very high | 91.3 | Very high | 133 Ų | 133 | 114.5 Ų | 114.5 | 50% | 0.502 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61 | -44.6 | 175 | -172.5 | -179.5 | 69.1 | -150.6 | 5 | 112.3 | R216 R217 R218 L223 M224 | R216-R220 WeakPolarHBondContact O-CB 3.22Å; R216-R220 PolarHBondContact O-N 2.98Å; R217-R220 PolarHBondContact O-N 3.49Å; R218-R220 VanDerWaalsContact C-N 3.33Å; R218-R220 PolarHBondContact O-N 3.12Å; R220-L223 PolarHBondContact O-N 3.47Å; R220-M224 HydrophobicContact CG-CE 4.25Å; R220-M224 HydrophobicContact CG-SD 4.41Å; R220-M224 WeakPolarHBondContact O-CB 3.49Å; R220-M224 WeakPolarHBondContact O-CG 3.28Å; R220-M224 PolarHBondContact O-N 3.22Å |
| 221 | R | 94.7 | Very high | 90.4 | Very high | 162 Ų | 162 | 113.9 Ų | 113.9 | 61% | 0.611 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.1 | -42 | 175.8 | -73.4 | 176.7 | 176.1 | 171.4 | -1.7 | 111.6 | R217 R218 H219 M224 R225 | R217-R221 WeakPolarHBondContact O-CG 3.48Å; R217-R221 PolarHBondContact O-N 2.88Å; R218-R221 PolarHBondContact O-N 2.96Å; R218-R221 VanDerWaalsContact O-N 3.16Å; H219-R221 PolarHBondContact O-N 3.3Å; R221-M224 PolarHBondContact O-N 3.24Å; R221-R225 PolarHBondContact O-N 2.96Å |
| 222 | K | 93.2 | Very high | 89 | Confident | 82 Ų | 82 | 114.4 Ų | 114.4 | 36% | 0.357 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.2 | -50.4 | 174.8 | -177.3 | -177.5 | 175 | -175.7 | 0 | 111.2 | E203 R218 H219 M224 R225 I226 | E203-K222 IonicContact OE1-NZ 3.28Å; E203-K222 PolarHBondContact OE1-NZ 3.27Å; E203-K222 IonicContact OE2-NZ 3.26Å; E203-K222 PolarHBondContact OE2-NZ 3.36Å; R218-K222 PolarHBondContact O-N 2.97Å; H219-K222 WeakPolarHBondContact O-CB 3.41Å; H219-K222 PolarHBondContact O-N 2.85Å; K222-M224 PolarHBondContact O-N 2.87Å; K222-R225 WeakPolarHBondContact O-CB 3.42Å; K222-R225 PolarHBondContact O-N 3Å; K222-I226 HydrophobicContact CG-CD1 4.09Å; K222-I226 WeakPolarHBondContact O-CG1 3.48Å; K222-I226 PolarHBondContact O-N 3.31Å |
| 223 | L | 92.7 | Very high | 87.5 | Confident | 67 Ų | 67 | 114.7 Ų | 114.7 | 35% | 0.351 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.9 | -40 | 177 | -74.1 | 179.6 | 0 | 0 | 0 | 112.6 | H219 R220 R225 I226 R227 | H219-L223 WeakPolarHBondContact CE1-CD1 3.47Å; H219-L223 WeakPolarHBondContact O-CG 3.19Å; H219-L223 PolarHBondContact O-N 3.44Å; R220-L223 PolarHBondContact O-N 3.47Å; L223-R225 VanDerWaalsContact C-N 3.34Å; L223-R225 PolarHBondContact O-N 3.39Å; L223-I226 PolarHBondContact O-N 3.22Å; L223-R227 WeakPolarHBondContact O-CB 3.37Å; L223-R227 WeakPolarHBondContact O-CG 3.34Å; L223-R227 PolarHBondContact O-N 2.95Å |
| 224 | M | 93.9 | Very high | 85.7 | Confident | 119 Ų | 119 | 114.1 Ų | 114.1 | 59% | 0.586 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.3 | -41.6 | 174.4 | -77.4 | 179.7 | 167.1 | 0 | 0 | 111.8 | R220 R221 K222 R227 S228 | R220-M224 HydrophobicContact CG-CE 4.25Å; R220-M224 HydrophobicContact CG-SD 4.41Å; R220-M224 WeakPolarHBondContact O-CB 3.49Å; R220-M224 WeakPolarHBondContact O-CG 3.28Å; R220-M224 PolarHBondContact O-N 3.22Å; R221-M224 PolarHBondContact O-N 3.24Å; K222-M224 PolarHBondContact O-N 2.87Å; M224-R227 PolarHBondContact O-N 3.36Å; M224-S228 WeakPolarHBondContact O-CB 3.48Å; M224-S228 PolarHBondContact O-N 3.09Å; M224-S228 PolarHBondContact O-OG 3.19Å |
| 225 | R | 93.1 | Very high | 83.8 | Confident | 162 Ų | 162 | 117.9 Ų | 117.9 | 61% | 0.611 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.6 | -40.2 | 175.7 | -169.1 | -178.8 | 86.4 | 169.4 | 5.4 | 112.6 | R221 K222 L223 S228 K229 | R221-R225 PolarHBondContact O-N 2.96Å; K222-R225 WeakPolarHBondContact O-CB 3.42Å; K222-R225 PolarHBondContact O-N 3Å; L223-R225 VanDerWaalsContact C-N 3.34Å; L223-R225 PolarHBondContact O-N 3.39Å; R225-S228 PolarHBondContact O-OG 3.08Å; R225-K229 WeakPolarHBondContact O-CG 3.28Å; R225-K229 PolarHBondContact O-N 3.26Å |
| 226 | I | 92.1 | Very high | 81.8 | Confident | 67 Ų | 67 | 124.6 Ų | 124.6 | 34% | 0.344 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -66.2 | -47.2 | 177.6 | -66.2 | 165.6 | 0 | 0 | 0 | 109.7 | K222 L223 S228 K229 Q230 | K222-I226 HydrophobicContact CG-CD1 4.09Å; K222-I226 WeakPolarHBondContact O-CG1 3.48Å; K222-I226 PolarHBondContact O-N 3.31Å; L223-I226 PolarHBondContact O-N 3.22Å; I226-S228 PolarHBondContact O-N 3.37Å; I226-K229 PolarHBondContact O-N 3.42Å; I226-Q230 WeakPolarHBondContact O-CG 3.43Å; I226-Q230 PolarHBondContact O-N 2.85Å; I226-Q230 VanDerWaalsContact O-N 3.11Å |
| 227 | R | 91.6 | Very high | 79.8 | Confident | 162 Ų | 162 | 120.6 Ų | 120.6 | 61% | 0.611 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -61.9 | -40.6 | 177.1 | -72.7 | 177.7 | 179.1 | -179.3 | -0.8 | 112.4 | L223 M224 K229 Q230 L231 | L223-R227 WeakPolarHBondContact O-CB 3.37Å; L223-R227 WeakPolarHBondContact O-CG 3.34Å; L223-R227 PolarHBondContact O-N 2.95Å; M224-R227 PolarHBondContact O-N 3.36Å; R227-K229 VanDerWaalsContact C-N 3.29Å; R227-K229 PolarHBondContact O-N 2.95Å; R227-Q230 PolarHBondContact O-N 3.42Å; R227-Q230 VanDerWaalsContact O-N 3.16Å; R227-L231 VanDerWaalsContact O-CD1 3.25Å; R227-L231 WeakPolarHBondContact O-CD1 3.16Å; R227-L231 PolarHBondContact O-N 2.97Å |
| 228 | S | 89 | Confident | 77.8 | Confident | 71 Ų | 71 | 121 Ų | 121 | 50% | 0.497 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.7 | -35.4 | 179.1 | 70.1 | 0 | 0 | 0 | 0 | 112.4 | M224 R225 I226 S232 | M224-S228 WeakPolarHBondContact O-CB 3.48Å; M224-S228 PolarHBondContact O-N 3.09Å; M224-S228 PolarHBondContact O-OG 3.19Å; R225-S228 PolarHBondContact O-OG 3.08Å; I226-S228 PolarHBondContact O-N 3.37Å; S228-S232 PolarHBondContact O-N 2.89Å |
| 229 | K | 88.8 | Confident | 76 | Confident | 140 Ų | 140 | 117 Ų | 117 | 61% | 0.609 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -70.4 | -33.4 | 173.9 | -70.1 | -177.8 | 177.3 | -161.7 | 0 | 112.9 | R225 I226 R227 S232 | R225-K229 WeakPolarHBondContact O-CG 3.28Å; R225-K229 PolarHBondContact O-N 3.26Å; I226-K229 PolarHBondContact O-N 3.42Å; R227-K229 VanDerWaalsContact C-N 3.29Å; R227-K229 PolarHBondContact O-N 2.95Å; K229-S232 PolarHBondContact O-OG 2.85Å |
| 230 | Q | 83.5 | Confident | 74.5 | Confident | 136 Ų | 136 | 115.9 Ų | 115.9 | 64% | 0.636 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -78.3 | -23.4 | 176.6 | -70.6 | 177 | -10.4 | 0 | 0 | 113.2 | I226 R227 P233 | I226-Q230 WeakPolarHBondContact O-CG 3.43Å; I226-Q230 PolarHBondContact O-N 2.85Å; I226-Q230 VanDerWaalsContact O-N 3.11Å; R227-Q230 PolarHBondContact O-N 3.42Å; R227-Q230 VanDerWaalsContact O-N 3.16Å; Q230-P233 VanDerWaalsContact O-CD 3.25Å; Q230-P233 WeakPolarHBondContact O-CD 3.36Å |
| 231 | L | 72 | Confident | 73.3 | Confident | 132 Ų | 132 | 114.8 Ų | 114.8 | 69% | 0.691 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -87.6 | -2.2 | 174.6 | -95.4 | 83.4 | 0 | 0 | 0 | 113.6 | R227 P233 | R227-L231 VanDerWaalsContact O-CD1 3.25Å; R227-L231 WeakPolarHBondContact O-CD1 3.16Å; R227-L231 PolarHBondContact O-N 2.97Å; L231-P233 VanDerWaalsContact O-CD 3.23Å; L231-P233 WeakPolarHBondContact O-CD 3.42Å |
| 232 | S | 59.3 | Low | 72.2 | Confident | 85 Ų | 85 | 117.6 Ų | 117.6 | 59% | 0.594 | 58% | 0.581 | S | S | * | * | trans | -96.9 | 34.5 | 173.4 | 63.3 | 0 | 0 | 0 | 0 | 115.4 | S228 K229 | S228-S232 PolarHBondContact O-N 2.89Å; K229-S232 PolarHBondContact O-OG 2.85Å | ||
| 233 | P | 58.2 | Low | 71.5 | Confident | 83 Ų | 83 | 119.4 Ų | 119.4 | 54% | 0.539 | 59% | 0.59 | S | S | . | * | S | Bend | trans | -71.4 | 149.4 | 155.7 | 30.2 | -23.2 | 0 | 0 | 0 | 107.3 | Q230 L231 K235 | Q230-P233 VanDerWaalsContact O-CD 3.25Å; Q230-P233 WeakPolarHBondContact O-CD 3.36Å; L231-P233 VanDerWaalsContact O-CD 3.23Å; L231-P233 WeakPolarHBondContact O-CD 3.42Å; P233-K235 PolarHBondContact O-N 3.36Å |
| 234 | P | 54.5 | Low | 70.9 | Confident | 118 Ų | 118 | 121.9 Ų | 121.9 | 77% | 0.766 | 60% | 0.602 | S | S | * | * | trans | -55.8 | 113.3 | -178.3 | 24.1 | -33.1 | 0 | 0 | 0 | 108.3 | K236 | P234-K236 PolarHBondContact O-N 3.28Š| ||
| 235 | K | 52.1 | Low | 70.3 | Confident | 148 Ų | 148 | 118.9 Ų | 118.9 | 64% | 0.643 | 60% | 0.596 | S | S | * | * | trans | -55 | 106.7 | 174.6 | -76.3 | -177.7 | 172.1 | -178.7 | 0 | 107.1 | P233 G237 E241 | P233-K235 PolarHBondContact O-N 3.36Å; K235-G237 PolarHBondContact O-N 3.04Å; K235-E241 IonicContact NZ-OE1 2.7Å; K235-E241 PolarHBondContact NZ-OE1 3.12Å | ||
| 236 | K | 49 | Very low | 69.8 | Low | 205 Ų | 205 | 117.5 Ų | 117.5 | 89% | 0.891 | 60% | 0.598 | S | S | * | * | trans | -53.4 | 109.2 | 166.1 | -74.1 | -177.8 | 173.5 | -175.2 | 0 | 107.4 | P234 | P234-K236 PolarHBondContact O-N 3.28Š| ||
| 237 | G | 48.8 | Very low | 69.5 | Low | 53 Ų | 53 | 116.4 Ų | 116.4 | 55% | 0.546 | 60% | 0.599 | S | S | . | * | trans | 60.4 | 139.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | K235 V239 | K235-G237 PolarHBondContact O-N 3.04Å; G237-V239 PolarHBondContact O-N 2.91Å | ||
| 238 | K | 52.6 | Low | 69.2 | Low | 150 Ų | 150 | 115.5 Ų | 115.5 | 65% | 0.652 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -64.2 | 18 | 162.5 | -87.6 | 174.8 | 170.1 | 172.1 | 0 | 113.6 | E83 D240 | E83-K238 PolarHBondContact O-NZ 3.44Å; K238-D240 PolarHBondContact O-N 3.19Å |
| 239 | V | 54.2 | Low | 69 | Low | 107 Ų | 107 | 115.6 Ų | 115.6 | 65% | 0.648 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -72 | 104.1 | 171.5 | -171.9 | 0 | 0 | 0 | 0 | 105.4 | G237 | G237-V239 PolarHBondContact O-N 2.91Š|
| 240 | D | 59.1 | Low | 68.9 | Low | 51 Ų | 51 | 111.5 Ų | 111.5 | 27% | 0.273 | 58% | 0.584 | S | S | . | * | S | Bend | trans | 89.9 | 24.5 | 158.5 | -59.4 | -6.7 | 0 | 0 | 0 | 118.6 | K238 R242 Q243 M244 | K238-D240 PolarHBondContact O-N 3.19Å; D240-R242 VanDerWaalsContact C-N 3.27Å; D240-R242 PolarHBondContact O-N 2.79Å; D240-Q243 HydrophobicContact CB-CB 3.68Å; D240-Q243 HydrophobicContact CB-CG 4.08Å; D240-Q243 PolarHBondContact O-N 3.26Å; D240-Q243 WeakPolarHBondContact OD1-CG 3.32Å; D240-Q243 PolarHBondContact OD1-NE2 3.12Å; D240-Q243 PolarHBondContact OD1-OE1 3.03Å; D240-Q243 PolarHBondContact OD2-OE1 3.29Å; D240-M244 HydrophobicContact CB-CE 4.44Å; D240-M244 HydrophobicContact CB-CG 4.43Å; D240-M244 WeakPolarHBondContact O-CA 3.45Å; D240-M244 WeakPolarHBondContact O-CB 3.48Å; D240-M244 VanDerWaalsContact O-CE 3.27Å; D240-M244 WeakPolarHBondContact O-CE 3.26Å; D240-M244 WeakPolarHBondContact O-CG 3.48Å; D240-M244 PolarHBondContact O-N 3.48Å |
| 241 | E | 67.6 | Low | 69 | Low | 111 Ų | 111 | 112.7 Ų | 112.7 | 52% | 0.519 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61.9 | -40.9 | 161.5 | -80.7 | -168.6 | 169.3 | 0 | 0 | 111 | K235 A245 | K235-E241 IonicContact NZ-OE1 2.7Å; K235-E241 PolarHBondContact NZ-OE1 3.12Å; E241-A245 WeakPolarHBondContact O-CB 3.17Å; E241-A245 PolarHBondContact O-N 3.28Å |
| 242 | R | 71.5 | Confident | 69.8 | Low | 220 Ų | 220 | 110.7 Ų | 110.7 | 83% | 0.83 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65.7 | -44.8 | 171.8 | -87.2 | -174.9 | 174.6 | 167.9 | -1.6 | 112.1 | D240 A245 M246 | D240-R242 VanDerWaalsContact C-N 3.27Å; D240-R242 PolarHBondContact O-N 2.79Å; R242-A245 PolarHBondContact O-N 3.08Å; R242-M246 WeakPolarHBondContact O-CB 3.27Å; R242-M246 PolarHBondContact O-N 3.46Å |
| 243 | Q | 77.9 | Confident | 71 | Confident | 120 Ų | 120 | 107.3 Ų | 107.3 | 56% | 0.561 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -72.3 | -34.9 | -179.2 | -50.2 | -171.9 | 18 | 0 | 0 | 112.2 | D240 M246 A247 | D240-Q243 HydrophobicContact CB-CB 3.68Å; D240-Q243 HydrophobicContact CB-CG 4.08Å; D240-Q243 PolarHBondContact O-N 3.26Å; D240-Q243 WeakPolarHBondContact OD1-CG 3.32Å; D240-Q243 PolarHBondContact OD1-NE2 3.12Å; D240-Q243 PolarHBondContact OD1-OE1 3.03Å; D240-Q243 PolarHBondContact OD2-OE1 3.29Å; Q243-M246 PolarHBondContact O-N 2.91Å; Q243-A247 WeakPolarHBondContact O-CB 3.45Å; Q243-A247 PolarHBondContact O-N 3.43Å |
| 244 | M | 80.1 | Confident | 72.3 | Confident | 120 Ų | 120 | 110.9 Ų | 110.9 | 59% | 0.591 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -66.8 | -39.7 | 171 | -74.7 | -175.7 | -89.4 | 0 | 0 | 111.3 | D240 A247 K248 | D240-M244 HydrophobicContact CB-CE 4.44Å; D240-M244 HydrophobicContact CB-CG 4.43Å; D240-M244 WeakPolarHBondContact O-CA 3.45Å; D240-M244 WeakPolarHBondContact O-CB 3.48Å; D240-M244 VanDerWaalsContact O-CE 3.27Å; D240-M244 WeakPolarHBondContact O-CE 3.26Å; D240-M244 WeakPolarHBondContact O-CG 3.48Å; D240-M244 PolarHBondContact O-N 3.48Å; M244-A247 PolarHBondContact O-N 2.93Å; M244-K248 VanDerWaalsContact O-CB 3.31Å; M244-K248 WeakPolarHBondContact O-CB 3.49Å; M244-K248 PolarHBondContact O-N 3.39Å |
| 245 | A | 81.6 | Confident | 73.8 | Confident | 56 Ų | 56 | 113.6 Ų | 113.6 | 46% | 0.463 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.3 | -46.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | E241 R242 K248 V249 | E241-A245 WeakPolarHBondContact O-CB 3.17Å; E241-A245 PolarHBondContact O-N 3.28Å; R242-A245 PolarHBondContact O-N 3.08Å; A245-K248 PolarHBondContact O-N 2.97Å; A245-V249 WeakPolarHBondContact O-CG2 3.37Å; A245-V249 PolarHBondContact O-N 3.01Å |
| 246 | M | 82.7 | Confident | 75 | Confident | 132 Ų | 132 | 112.3 Ų | 112.3 | 65% | 0.65 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -60.5 | -46.5 | 173.3 | -81.4 | -176.2 | 73.1 | 0 | 0 | 111.6 | R242 Q243 K248 V249 T250 | R242-M246 WeakPolarHBondContact O-CB 3.27Å; R242-M246 PolarHBondContact O-N 3.46Å; Q243-M246 PolarHBondContact O-N 2.91Å; M246-K248 PolarHBondContact O-N 3.29Å; M246-V249 CarbonylContact O-C 3.56Å; M246-V249 PolarHBondContact O-N 2.91Å; M246-T250 WeakPolarHBondContact O-CG2 3.37Å; M246-T250 PolarHBondContact O-N 2.63Å; M246-T250 PolarHBondContact O-OG1 3.41Å |
| 247 | A | 84.7 | Confident | 76.7 | Confident | 45 Ų | 45 | 110.5 Ų | 110.5 | 37% | 0.372 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.7 | -32.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q243 M244 T250 K251 | Q243-A247 WeakPolarHBondContact O-CB 3.45Å; Q243-A247 PolarHBondContact O-N 3.43Å; M244-A247 PolarHBondContact O-N 2.93Å; A247-T250 VanDerWaalsContact CA-OG1 3.3Å; A247-T250 WeakPolarHBondContact CA-OG1 3.35Å; A247-T250 PolarHBondContact O-OG1 2.85Å; A247-K251 WeakPolarHBondContact O-CB 3.13Å; A247-K251 WeakPolarHBondContact O-CG 3.43Å; A247-K251 PolarHBondContact O-N 2.71Å |
| 248 | K | 86.2 | Confident | 78.3 | Confident | 143 Ų | 143 | 109.9 Ų | 109.9 | 62% | 0.622 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -70.2 | -42.9 | 173 | -170.9 | 177 | -178.9 | -178 | 0 | 111.1 | M244 A245 M246 K251 M252 | M244-K248 VanDerWaalsContact O-CB 3.31Å; M244-K248 WeakPolarHBondContact O-CB 3.49Å; M244-K248 PolarHBondContact O-N 3.39Å; A245-K248 PolarHBondContact O-N 2.97Å; M246-K248 PolarHBondContact O-N 3.29Å; K248-K251 PolarHBondContact O-N 3.23Å; K248-M252 VanDerWaalsContact O-CG 3.3Å; K248-M252 WeakPolarHBondContact O-CG 3.47Å; K248-M252 PolarHBondContact O-N 3.02Å |
| 249 | V | 84.9 | Confident | 79.8 | Confident | 73 Ų | 73 | 110.8 Ų | 110.8 | 44% | 0.442 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.4 | -43.4 | 176 | 173.4 | 0 | 0 | 0 | 0 | 111 | A245 M246 M252 A253 I260 | A245-V249 WeakPolarHBondContact O-CG2 3.37Å; A245-V249 PolarHBondContact O-N 3.01Å; M246-V249 CarbonylContact O-C 3.56Å; M246-V249 PolarHBondContact O-N 2.91Å; V249-M252 PolarHBondContact O-N 2.7Å; V249-M252 VanDerWaalsContact O-N 3.16Å; V249-A253 WeakPolarHBondContact O-CB 3.39Å; V249-A253 PolarHBondContact O-N 2.85Å; V249-I260 HydrophobicContact CG1-CG2 4.26Å |
| 250 | T | 86.7 | Confident | 81.2 | Confident | 53 Ų | 53 | 109.1 Ų | 109.1 | 33% | 0.325 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65 | -41.3 | 176.7 | 58.5 | 0 | 0 | 0 | 0 | 111.7 | M246 A247 M252 A253 H254 I262 | M246-T250 WeakPolarHBondContact O-CG2 3.37Å; M246-T250 PolarHBondContact O-N 2.63Å; M246-T250 PolarHBondContact O-OG1 3.41Å; A247-T250 VanDerWaalsContact CA-OG1 3.3Å; A247-T250 WeakPolarHBondContact CA-OG1 3.35Å; A247-T250 PolarHBondContact O-OG1 2.85Å; T250-M252 VanDerWaalsContact C-N 3.31Å; T250-M252 PolarHBondContact O-N 3.26Å; T250-A253 PolarHBondContact O-N 3.13Å; T250-H254 PolarHBondContact O-CD2 3.09Å; T250-H254 PolarHBondContact O-N 2.95Å; T250-H254 VanDerWaalsContact O-N 3.14Å; T250-I262 HydrophobicContact CG2-CD1 3.98Å |
| 251 | K | 86.5 | Confident | 82.1 | Confident | 162 Ų | 162 | 116 Ų | 116 | 70% | 0.704 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -60.4 | -38.5 | 171.1 | -84.2 | -178.1 | 178.2 | 177.9 | 0 | 112.8 | A247 K248 | A247-K251 WeakPolarHBondContact O-CB 3.13Å; A247-K251 WeakPolarHBondContact O-CG 3.43Å; A247-K251 PolarHBondContact O-N 2.71Å; K248-K251 PolarHBondContact O-N 3.23Å |
| 252 | M | 87 | Confident | 82.6 | Confident | 89 Ų | 89 | 115.1 Ų | 115.1 | 44% | 0.438 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -69.3 | -36.4 | 176.5 | -74.1 | 179.1 | 66.2 | 0 | 0 | 111.8 | K248 V249 T250 H254 R255 S258 I260 | K248-M252 VanDerWaalsContact O-CG 3.3Å; K248-M252 WeakPolarHBondContact O-CG 3.47Å; K248-M252 PolarHBondContact O-N 3.02Å; V249-M252 PolarHBondContact O-N 2.7Å; V249-M252 VanDerWaalsContact O-N 3.16Å; T250-M252 VanDerWaalsContact C-N 3.31Å; T250-M252 PolarHBondContact O-N 3.26Å; M252-H254 PolarHBondContact O-N 3.28Å; M252-R255 PolarHBondContact O-N 2.98Å; M252-S258 WeakPolarHBondContact O-CB 3.12Å; M252-I260 HydrophobicContact CB-CD1 3.93Å; M252-I260 HydrophobicContact CE-CD1 4.39Å |
| 253 | A | 85.8 | Confident | 82.8 | Confident | 15 Ų | 15 | 112.2 Ų | 112.2 | 12% | 0.124 | 57% | 0.574 | C | S | . | * | H | α-helix | trans | -65.2 | -34.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | V249 T250 R255 S258 I260 I262 | V249-A253 WeakPolarHBondContact O-CB 3.39Å; V249-A253 PolarHBondContact O-N 2.85Å; T250-A253 PolarHBondContact O-N 3.13Å; A253-R255 VanDerWaalsContact C-N 3.29Å; A253-R255 PolarHBondContact O-N 3.44Å; A253-S258 WeakPolarHBondContact CA-OG 3.47Å; A253-S258 PolarHBondContact O-OG 2.88Å; A253-I260 HydrophobicContact CB-CB 4.08Å; A253-I260 HydrophobicContact CB-CG2 3.99Å; A253-I262 HydrophobicContact CB-CD1 3.71Å; A253-I262 HydrophobicContact CB-CG1 3.74Å |
| 254 | H | 84.8 | Confident | 82.5 | Confident | 157 Ų | 157 | 119.2 Ų | 119.2 | 73% | 0.727 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -0.5 | 178.6 | -72.4 | -57.3 | 0 | 0 | 0 | 115.4 | T250 M252 | T250-H254 PolarHBondContact O-CD2 3.09Å; T250-H254 PolarHBondContact O-N 2.95Å; T250-H254 VanDerWaalsContact O-N 3.14Å; M252-H254 PolarHBondContact O-N 3.28Å |
| 255 | R | 85.9 | Confident | 82.7 | Confident | 175 Ų | 175 | 119.2 Ų | 119.2 | 66% | 0.66 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -72.7 | 135.7 | 175.5 | -72.6 | -179.8 | 141.4 | -173.1 | -8.3 | 110.5 | M252 A253 N257 S258 | M252-R255 PolarHBondContact O-N 2.98Å; A253-R255 VanDerWaalsContact C-N 3.29Å; A253-R255 PolarHBondContact O-N 3.44Å; R255-N257 PolarHBondContact O-N 3.49Å; R255-S258 WeakPolarHBondContact O-CB 3.3Å; R255-S258 PolarHBondContact O-N 3.11Å |
| 256 | P | 78.3 | Confident | 82.7 | Confident | 122 Ų | 122 | 122.5 Ų | 122.5 | 79% | 0.792 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | 131.9 | 170.4 | 23.8 | -30.5 | 0 | 0 | 0 | 109 | ||
| 257 | N | 84.6 | Confident | 82.7 | Confident | 167 Ų | 167 | 122 Ų | 122 | 89% | 0.893 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73.7 | 21.7 | -169.7 | -54.9 | -19.9 | 0 | 0 | 0 | 117.1 | R255 | R255-N257 PolarHBondContact O-N 3.49Š|
| 258 | S | 82.3 | Confident | 82.6 | Confident | 40 Ų | 40 | 126.5 Ų | 126.5 | 28% | 0.28 | 62% | 0.622 | S | S | . | * | trans | -78.1 | 136.6 | 170.4 | 103.9 | 0 | 0 | 0 | 0 | 111.9 | M252 A253 R255 I260 | M252-S258 WeakPolarHBondContact O-CB 3.12Å; A253-S258 WeakPolarHBondContact CA-OG 3.47Å; A253-S258 PolarHBondContact O-OG 2.88Å; R255-S258 WeakPolarHBondContact O-CB 3.3Å; R255-S258 PolarHBondContact O-N 3.11Å; S258-I260 VanDerWaalsContact C-N 3.27Å; S258-I260 PolarHBondContact OG-N 3.22Å | ||
| 259 | N | 84.6 | Confident | 82.4 | Confident | 168 Ų | 168 | 125.5 Ų | 125.5 | 90% | 0.898 | 62% | 0.622 | S | S | * | * | trans | -87.1 | 8.5 | 172.5 | -72.2 | -18.4 | 0 | 0 | 0 | 112.8 | ||||
| 260 | I | 82.1 | Confident | 82.2 | Confident | 72 Ų | 72 | 129 Ų | 129 | 37% | 0.369 | 63% | 0.634 | S | S | . | * | trans | -96.1 | 108.5 | -173.3 | -55.4 | 173.9 | 0 | 0 | 0 | 108.5 | V249 M252 A253 S258 | V249-I260 HydrophobicContact CG1-CG2 4.26Å; M252-I260 HydrophobicContact CB-CD1 3.93Å; M252-I260 HydrophobicContact CE-CD1 4.39Å; A253-I260 HydrophobicContact CB-CB 4.08Å; A253-I260 HydrophobicContact CB-CG2 3.99Å; S258-I260 VanDerWaalsContact C-N 3.27Å; S258-I260 PolarHBondContact OG-N 3.22Å | ||
| 261 | K | 78.2 | Confident | 81.9 | Confident | 197 Ų | 197 | 134.4 Ų | 134.4 | 86% | 0.857 | 66% | 0.657 | S | S | * | * | trans | -89.2 | 124.6 | 171.8 | -66.1 | -177.3 | -179.9 | 179.7 | 0 | 109.6 | ||||
| 262 | I | 78 | Confident | 81.6 | Confident | 91 Ų | 91 | 132.3 Ų | 132.3 | 47% | 0.467 | 65% | 0.653 | S | S | . | * | trans | -85.8 | 113.4 | 169.9 | -56.7 | 170.1 | 0 | 0 | 0 | 107.1 | T250 A253 | T250-I262 HydrophobicContact CG2-CD1 3.98Å; A253-I262 HydrophobicContact CB-CD1 3.71Å; A253-I262 HydrophobicContact CB-CG1 3.74Å | ||
| 263 | I | 76.9 | Confident | 81.1 | Confident | 160 Ų | 160 | 135.9 Ų | 135.9 | 82% | 0.821 | 67% | 0.671 | S | S | * | * | trans | -85.5 | 124.2 | 168.3 | -56.7 | 174.8 | 0 | 0 | 0 | 106.3 | ||||
| 264 | K | 71.8 | Confident | 80.7 | Confident | 267 Ų | 267 | 146.9 Ų | 146.9 | 100% | 1.161 | 72% | 0.72 | S | S | * | * | trans | -77.5 | 0 | 173.7 | -96.9 | -174.5 | 177.3 | -179.9 | 0 | 110.8 |
Retrieved 264 of 264 residues in 92.3 ms
(Link to these results)