| 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 | 59.3 | Low | 60.1 | Low | 202 Ų | 202 | 126.9 Ų | 126.9 | 100% | 0.995 | 64% | 0.644 | S | S | * | * | 0 | -30.1 | 0 | -78.6 | -147 | -118.6 | 0 | 0 | 115.1 | L4 | M1-L4 PolarHBondContact O-N 3.3Š| |||
| 2 | A | 65.1 | Low | 60 | Low | 85 Ų | 85 | 126.4 Ų | 126.4 | 70% | 0.702 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -64.2 | -40.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | L4 R5 L6 | A2-L4 VanDerWaalsContact C-N 3.33Å; A2-L4 PolarHBondContact O-N 3.38Å; A2-R5 PolarHBondContact O-N 3.31Å; A2-L6 PolarHBondContact O-N 3.49Å |
| 3 | K | 59.3 | Low | 59.7 | Low | 189 Ų | 189 | 120.8 Ų | 120.8 | 82% | 0.822 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -63.8 | -32.6 | 179.3 | -89.3 | -176.5 | 172.9 | -179.1 | 0 | 114.1 | L7 | K3-L7 PolarHBondContact O-N 3.14Å |
| 4 | L | 53.5 | Low | 59.6 | Low | 121 Ų | 121 | 121.3 Ų | 121.3 | 63% | 0.634 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -75.8 | -34 | -179.4 | -161.2 | 71.1 | 0 | 0 | 0 | 111.9 | M1 A2 L7 L8 | M1-L4 PolarHBondContact O-N 3.3Å; A2-L4 VanDerWaalsContact C-N 3.33Å; A2-L4 PolarHBondContact O-N 3.38Å; L4-L7 PolarHBondContact O-N 3.37Å; L4-L8 WeakPolarHBondContact O-CG 3.5Å; L4-L8 PolarHBondContact O-N 3.48Å; L4-L8 VanDerWaalsContact O-N 3.14Å |
| 5 | R | 66.3 | Low | 59.3 | Low | 189 Ų | 189 | 122.5 Ų | 122.5 | 71% | 0.713 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66.4 | -35.9 | 173.7 | -74.9 | -173.4 | -178.1 | -179.6 | 0.2 | 112.5 | A2 S9 | A2-R5 PolarHBondContact O-N 3.31Å; R5-S9 PolarHBondContact O-N 3.46Å; R5-S9 PolarHBondContact O-OG 3.32Å |
| 6 | L | 65.5 | Low | 59.1 | Low | 115 Ų | 115 | 123.8 Ų | 123.8 | 60% | 0.602 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -69.5 | -38.5 | 177.8 | -156.2 | 84.6 | 0 | 0 | 0 | 112.3 | A2 S9 L10 | A2-L6 PolarHBondContact O-N 3.49Å; L6-S9 PolarHBondContact O-N 2.94Å; L6-S9 PolarHBondContact O-OG 3.32Å; L6-L10 HydrophobicContact CD2-CD1 4.48Å; L6-L10 HydrophobicContact CG-CD1 4.38Å; L6-L10 WeakPolarHBondContact O-CB 3.4Å; L6-L10 WeakPolarHBondContact O-CD1 3.3Å; L6-L10 VanDerWaalsContact O-CG 3.3Å; L6-L10 WeakPolarHBondContact O-CG 3.49Å; L6-L10 PolarHBondContact O-N 2.94Å |
| 7 | L | 57.2 | Low | 59 | Low | 110 Ų | 110 | 122.5 Ų | 122.5 | 58% | 0.576 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.9 | -41.4 | 176 | -82.4 | 159.5 | 0 | 0 | 0 | 111.9 | K3 L4 L10 Q11 | K3-L7 PolarHBondContact O-N 3.14Å; L4-L7 PolarHBondContact O-N 3.37Å; L7-L10 PolarHBondContact O-N 2.95Å; L7-Q11 WeakPolarHBondContact O-CB 3.33Å; L7-Q11 PolarHBondContact O-N 2.99Å |
| 8 | L | 60.1 | Low | 58.9 | Low | 97 Ų | 97 | 126.9 Ų | 126.9 | 51% | 0.508 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64.8 | -41.4 | 174.7 | -75.3 | 162.6 | 0 | 0 | 0 | 111.9 | L4 L10 Q11 E12 | L4-L8 WeakPolarHBondContact O-CG 3.5Å; L4-L8 PolarHBondContact O-N 3.48Å; L4-L8 VanDerWaalsContact O-N 3.14Å; L8-L10 PolarHBondContact O-N 3.48Å; L8-Q11 PolarHBondContact O-N 3.01Å; L8-E12 WeakPolarHBondContact O-CG 3.5Å; L8-E12 PolarHBondContact O-N 3.47Å |
| 9 | S | 62.2 | Low | 58.8 | Low | 59 Ų | 59 | 126.6 Ų | 126.6 | 41% | 0.413 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -67.4 | -35.3 | 176.8 | 70.9 | 0 | 0 | 0 | 0 | 113 | R5 L6 S13 | R5-S9 PolarHBondContact O-N 3.46Å; R5-S9 PolarHBondContact O-OG 3.32Å; L6-S9 PolarHBondContact O-N 2.94Å; L6-S9 PolarHBondContact O-OG 3.32Å; S9-S13 VanDerWaalsContact O-CB 3.28Å; S9-S13 WeakPolarHBondContact O-CB 3.37Å; S9-S13 PolarHBondContact O-N 3.41Å |
| 10 | L | 57.4 | Low | 59.1 | Low | 86 Ų | 86 | 123.1 Ų | 123.1 | 45% | 0.45 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -69.3 | -38 | 174.6 | -76.6 | 165.4 | 0 | 0 | 0 | 111.6 | L6 L7 L8 S13 H14 | L6-L10 HydrophobicContact CD2-CD1 4.48Å; L6-L10 HydrophobicContact CG-CD1 4.38Å; L6-L10 WeakPolarHBondContact O-CB 3.4Å; L6-L10 WeakPolarHBondContact O-CD1 3.3Å; L6-L10 VanDerWaalsContact O-CG 3.3Å; L6-L10 WeakPolarHBondContact O-CG 3.49Å; L6-L10 PolarHBondContact O-N 2.94Å; L7-L10 PolarHBondContact O-N 2.95Å; L8-L10 PolarHBondContact O-N 3.48Å; L10-S13 PolarHBondContact O-N 3.41Å; L10-H14 PolarHBondContact O-CD2 2.98Å; L10-H14 PolarHBondContact O-N 3.4Å |
| 11 | Q | 54.7 | Low | 59.3 | Low | 143 Ų | 143 | 119.9 Ų | 119.9 | 67% | 0.668 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -69.4 | -39.1 | 177.5 | -161.5 | 176.5 | -37.2 | 0 | 0 | 111.8 | L7 L8 H14 F15 | L7-Q11 WeakPolarHBondContact O-CB 3.33Å; L7-Q11 PolarHBondContact O-N 2.99Å; L8-Q11 PolarHBondContact O-N 3.01Å; Q11-H14 PolarHBondContact O-N 3.5Å; Q11-F15 WeakPolarHBondContact O-CB 3.28Å; Q11-F15 PolarHBondContact O-N 2.94Å |
| 12 | E | 59.5 | Low | 59.5 | Low | 121 Ų | 121 | 112.9 Ų | 112.9 | 57% | 0.565 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -66.1 | -38.4 | 172.2 | -75.9 | -174 | 178.3 | 0 | 0 | 112.7 | L8 F15 K16 | L8-E12 WeakPolarHBondContact O-CG 3.5Å; L8-E12 PolarHBondContact O-N 3.47Å; E12-F15 PolarHBondContact O-N 3.01Å; E12-K16 WeakPolarHBondContact O-CB 3.39Å; E12-K16 WeakPolarHBondContact O-CG 3.42Å; E12-K16 PolarHBondContact O-N 3.47Å |
| 13 | S | 55.9 | Low | 59.7 | Low | 54 Ų | 54 | 111.5 Ų | 111.5 | 38% | 0.378 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.6 | -47.3 | 174.4 | 162.3 | 0 | 0 | 0 | 0 | 111.8 | S9 L10 F15 K16 N17 | S9-S13 VanDerWaalsContact O-CB 3.28Å; S9-S13 WeakPolarHBondContact O-CB 3.37Å; S9-S13 PolarHBondContact O-N 3.41Å; L10-S13 PolarHBondContact O-N 3.41Å; S13-F15 VanDerWaalsContact C-N 3.34Å; S13-F15 PolarHBondContact O-N 3.46Å; S13-K16 PolarHBondContact O-N 2.95Å; S13-N17 WeakPolarHBondContact O-CB 3.4Å; S13-N17 PolarHBondContact O-N 3.04Å |
| 14 | H | 57.9 | Low | 60 | Low | 127 Ų | 127 | 108.3 Ų | 108.3 | 59% | 0.588 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66 | -34.9 | 176.6 | -88.2 | -74 | 0 | 0 | 0 | 112.6 | L10 Q11 R18 | L10-H14 PolarHBondContact O-CD2 2.98Å; L10-H14 PolarHBondContact O-N 3.4Å; Q11-H14 PolarHBondContact O-N 3.5Å; H14-R18 WeakPolarHBondContact O-CB 3.47Å; H14-R18 WeakPolarHBondContact O-CG 3.46Å; H14-R18 PolarHBondContact O-N 3Å |
| 15 | F | 54.9 | Low | 60.8 | Low | 139 Ų | 139 | 108.7 Ų | 108.7 | 61% | 0.61 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -69.7 | -44.7 | 177 | -167.7 | -100.1 | 0 | 0 | 0 | 112 | Q11 E12 S13 N17 R18 M19 | Q11-F15 WeakPolarHBondContact O-CB 3.28Å; Q11-F15 PolarHBondContact O-N 2.94Å; E12-F15 PolarHBondContact O-N 3.01Å; S13-F15 VanDerWaalsContact C-N 3.34Å; S13-F15 PolarHBondContact O-N 3.46Å; F15-N17 PolarHBondContact O-N 3.48Å; F15-R18 PolarHBondContact O-N 2.59Å; F15-M19 HydrophobicContact CD1-CG 4.49Å; F15-M19 HydrophobicContact CD1-SD 4.1Å; F15-M19 HydrophobicContact CE1-CG 4.21Å; F15-M19 HydrophobicContact CE1-SD 3.5Å; F15-M19 WeakPolarHBondContact CE1-SD 3.49Å; F15-M19 HydrophobicContact CZ-SD 4.08Å; F15-M19 PolarHBondContact O-N 2.65Å |
| 16 | K | 56.2 | Low | 61 | Low | 144 Ų | 144 | 103.6 Ų | 103.6 | 63% | 0.626 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.5 | -39.3 | 175.3 | -76.8 | 177.6 | 178.4 | 172.5 | 0 | 112.7 | E12 S13 M19 S20 | E12-K16 WeakPolarHBondContact O-CB 3.39Å; E12-K16 WeakPolarHBondContact O-CG 3.42Å; E12-K16 PolarHBondContact O-N 3.47Å; S13-K16 PolarHBondContact O-N 2.95Å; K16-M19 PolarHBondContact O-N 3.23Å; K16-S20 PolarHBondContact O-N 3.02Å |
| 17 | N | 58.5 | Low | 61.2 | Low | 102 Ų | 102 | 102 Ų | 102 | 55% | 0.545 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -70.3 | -32.1 | 176.6 | -78 | -10.6 | 0 | 0 | 0 | 113.2 | S13 F15 S20 A21 | S13-N17 WeakPolarHBondContact O-CB 3.4Å; S13-N17 PolarHBondContact O-N 3.04Å; F15-N17 PolarHBondContact O-N 3.48Å; N17-S20 PolarHBondContact O-OG 3.49Å; N17-S20 VanDerWaalsContact O-OG 3.1Å; N17-A21 WeakPolarHBondContact O-CB 3.41Å; N17-A21 PolarHBondContact O-N 3.01Å; N17-A21 VanDerWaalsContact O-N 3.08Å |
| 18 | R | 57.1 | Low | 61.8 | Low | 202 Ų | 202 | 101.4 Ų | 101.4 | 76% | 0.762 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -72.2 | -37.7 | 173.8 | -81 | -175.4 | 142.6 | -161.8 | -6.5 | 112.5 | H14 F15 A21 A22 | H14-R18 WeakPolarHBondContact O-CB 3.47Å; H14-R18 WeakPolarHBondContact O-CG 3.46Å; H14-R18 PolarHBondContact O-N 3Å; F15-R18 PolarHBondContact O-N 2.59Å; R18-A21 PolarHBondContact O-N 3.43Å; R18-A22 WeakPolarHBondContact O-CB 3.33Å; R18-A22 PolarHBondContact O-N 3.08Å |
| 19 | M | 56.3 | Low | 62.3 | Low | 120 Ų | 120 | 100.5 Ų | 100.5 | 59% | 0.591 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.8 | -37.2 | 173.6 | -73.5 | -167.2 | 73.1 | 0 | 0 | 112.2 | F15 K16 A23 | F15-M19 HydrophobicContact CD1-CG 4.49Å; F15-M19 HydrophobicContact CD1-SD 4.1Å; F15-M19 HydrophobicContact CE1-CG 4.21Å; F15-M19 HydrophobicContact CE1-SD 3.5Å; F15-M19 WeakPolarHBondContact CE1-SD 3.49Å; F15-M19 HydrophobicContact CZ-SD 4.08Å; F15-M19 PolarHBondContact O-N 2.65Å; K16-M19 PolarHBondContact O-N 3.23Å; M19-A23 WeakPolarHBondContact O-CB 3.25Å; M19-A23 PolarHBondContact O-N 3.31Å |
| 20 | S | 64.5 | Low | 62.6 | Low | 57 Ų | 57 | 100.9 Ų | 100.9 | 40% | 0.399 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.3 | -40.6 | 175.8 | 79.1 | 0 | 0 | 0 | 0 | 112.1 | K16 N17 A23 L24 | K16-S20 PolarHBondContact O-N 3.02Å; N17-S20 PolarHBondContact O-OG 3.49Å; N17-S20 VanDerWaalsContact O-OG 3.1Å; S20-A23 PolarHBondContact O-N 3.01Å; S20-L24 VanDerWaalsContact O-CB 3.32Å; S20-L24 WeakPolarHBondContact O-CB 3.41Å; S20-L24 WeakPolarHBondContact O-CD1 3.43Å; S20-L24 WeakPolarHBondContact O-CG 3.43Å; S20-L24 PolarHBondContact O-N 3.21Å |
| 21 | A | 63.2 | Low | 62.7 | Low | 56 Ų | 56 | 101.3 Ų | 101.3 | 46% | 0.463 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.7 | -41.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | N17 R18 L24 F25 | N17-A21 WeakPolarHBondContact O-CB 3.41Å; N17-A21 PolarHBondContact O-N 3.01Å; N17-A21 VanDerWaalsContact O-N 3.08Å; R18-A21 PolarHBondContact O-N 3.43Å; A21-L24 PolarHBondContact O-N 2.93Å; A21-F25 WeakPolarHBondContact O-CB 3.35Å; A21-F25 PolarHBondContact O-N 3.49Å |
| 22 | A | 65.2 | Low | 62.9 | Low | 55 Ų | 55 | 98.8 Ų | 98.8 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.3 | -43.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R18 L24 F25 T26 | R18-A22 WeakPolarHBondContact O-CB 3.33Å; R18-A22 PolarHBondContact O-N 3.08Å; A22-L24 PolarHBondContact O-N 3.04Å; A22-F25 PolarHBondContact O-N 3.1Å; A22-T26 PolarHBondContact O-N 3.42Å; A22-T26 PolarHBondContact O-OG1 2.92Å |
| 23 | A | 68.1 | Low | 62.9 | Low | 56 Ų | 56 | 97 Ų | 97 | 46% | 0.463 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | M19 S20 F25 T26 V27 | M19-A23 WeakPolarHBondContact O-CB 3.25Å; M19-A23 PolarHBondContact O-N 3.31Å; S20-A23 PolarHBondContact O-N 3.01Å; A23-F25 VanDerWaalsContact C-N 3.34Å; A23-F25 PolarHBondContact O-N 2.67Å; A23-T26 PolarHBondContact O-N 3.23Å; A23-V27 WeakPolarHBondContact O-CB 3.27Å; A23-V27 VanDerWaalsContact O-CG2 3.27Å; A23-V27 WeakPolarHBondContact O-CG2 3.45Å; A23-V27 PolarHBondContact O-N 2.78Å |
| 24 | L | 65.3 | Low | 63 | Low | 121 Ų | 121 | 98.7 Ų | 98.7 | 63% | 0.634 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.7 | -39 | 174 | -82.6 | 159.3 | 0 | 0 | 0 | 112.1 | S20 A21 A22 L28 | S20-L24 VanDerWaalsContact O-CB 3.32Å; S20-L24 WeakPolarHBondContact O-CB 3.41Å; S20-L24 WeakPolarHBondContact O-CD1 3.43Å; S20-L24 WeakPolarHBondContact O-CG 3.43Å; S20-L24 PolarHBondContact O-N 3.21Å; A21-L24 PolarHBondContact O-N 2.93Å; A22-L24 PolarHBondContact O-N 3.04Å; L24-L28 VanDerWaalsContact O-CB 3.27Å; L24-L28 WeakPolarHBondContact O-CB 3.32Å; L24-L28 PolarHBondContact O-N 3.03Å |
| 25 | F | 71.8 | Confident | 62.7 | Low | 129 Ų | 129 | 101.7 Ų | 101.7 | 57% | 0.566 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68.4 | -42.5 | 176.9 | -167.7 | -102.4 | 0 | 0 | 0 | 112.1 | A21 A22 A23 L28 L29 | A21-F25 WeakPolarHBondContact O-CB 3.35Å; A21-F25 PolarHBondContact O-N 3.49Å; A22-F25 PolarHBondContact O-N 3.1Å; A23-F25 VanDerWaalsContact C-N 3.34Å; A23-F25 PolarHBondContact O-N 2.67Å; F25-L28 PolarHBondContact O-N 3.02Å; F25-L29 HydrophobicContact CD1-CD1 3.71Å; F25-L29 HydrophobicContact CD1-CG 4.3Å; F25-L29 HydrophobicContact CE1-CD1 3.46Å; F25-L29 VanDerWaalsContact CE1-CD1 3.46Å; F25-L29 HydrophobicContact CE1-CG 4.07Å; F25-L29 HydrophobicContact CZ-CD1 4.28Å; F25-L29 HydrophobicContact CZ-CG 4.49Å; F25-L29 WeakPolarHBondContact O-CG 3.25Å; F25-L29 PolarHBondContact O-N 2.94Å |
| 26 | T | 69.7 | Low | 62.5 | Low | 82 Ų | 82 | 101 Ų | 101 | 50% | 0.503 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 174.8 | -49.5 | 0 | 0 | 0 | 0 | 111.5 | A22 A23 L28 L29 C30 | A22-T26 PolarHBondContact O-N 3.42Å; A22-T26 PolarHBondContact O-OG1 2.92Å; A23-T26 PolarHBondContact O-N 3.23Å; T26-L28 VanDerWaalsContact C-N 3.33Å; T26-L28 PolarHBondContact O-N 3.48Å; T26-L29 PolarHBondContact O-N 2.9Å; T26-C30 WeakPolarHBondContact O-CB 3.47Å; T26-C30 PolarHBondContact O-N 3.5Å; T26-C30 PolarHBondContact O-SG 3.03Å |
| 27 | V | 70.2 | Confident | 62.3 | Low | 83 Ų | 83 | 100.7 Ų | 100.7 | 50% | 0.503 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.8 | -39.6 | 174.6 | 171 | 0 | 0 | 0 | 0 | 110.8 | A23 C30 L31 | A23-V27 WeakPolarHBondContact O-CB 3.27Å; A23-V27 VanDerWaalsContact O-CG2 3.27Å; A23-V27 WeakPolarHBondContact O-CG2 3.45Å; A23-V27 PolarHBondContact O-N 2.78Å; V27-C30 PolarHBondContact O-N 3.3Å; V27-L31 HydrophobicContact CG1-CD1 3.77Å; V27-L31 HydrophobicContact CG1-CG 4.2Å; V27-L31 VanDerWaalsContact O-CB 3.29Å; V27-L31 WeakPolarHBondContact O-CB 3.38Å; V27-L31 WeakPolarHBondContact O-CG 3.33Å; V27-L31 PolarHBondContact O-N 3.17Å |
| 28 | L | 69.7 | Low | 61.7 | Low | 96 Ų | 96 | 99.1 Ų | 99.1 | 50% | 0.503 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.2 | -40.9 | 176.2 | -168.6 | 71.9 | 0 | 0 | 0 | 112 | L24 F25 T26 L31 L32 | L24-L28 VanDerWaalsContact O-CB 3.27Å; L24-L28 WeakPolarHBondContact O-CB 3.32Å; L24-L28 PolarHBondContact O-N 3.03Å; F25-L28 PolarHBondContact O-N 3.02Å; T26-L28 VanDerWaalsContact C-N 3.33Å; T26-L28 PolarHBondContact O-N 3.48Å; L28-L31 PolarHBondContact O-N 3.09Å; L28-L32 HydrophobicContact CG-CD1 4.25Å; L28-L32 WeakPolarHBondContact O-CB 3.4Å; L28-L32 WeakPolarHBondContact O-CD1 3.4Å; L28-L32 VanDerWaalsContact O-CG 3.29Å; L28-L32 WeakPolarHBondContact O-CG 3.4Å; L28-L32 PolarHBondContact O-N 3.37Å |
| 29 | L | 70.4 | Confident | 61.2 | Low | 78 Ų | 78 | 96.8 Ų | 96.8 | 41% | 0.408 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.1 | -47.8 | 172.8 | -77.3 | 171.6 | 0 | 0 | 0 | 111.4 | F25 T26 L31 L32 D33 | F25-L29 HydrophobicContact CD1-CD1 3.71Å; F25-L29 HydrophobicContact CD1-CG 4.3Å; F25-L29 HydrophobicContact CE1-CD1 3.46Å; F25-L29 VanDerWaalsContact CE1-CD1 3.46Å; F25-L29 HydrophobicContact CE1-CG 4.07Å; F25-L29 HydrophobicContact CZ-CD1 4.28Å; F25-L29 HydrophobicContact CZ-CG 4.49Å; F25-L29 WeakPolarHBondContact O-CG 3.25Å; F25-L29 PolarHBondContact O-N 2.94Å; T26-L29 PolarHBondContact O-N 2.9Å; L29-L31 VanDerWaalsContact C-N 3.28Å; L29-L31 PolarHBondContact O-N 3.46Å; L29-L32 WeakPolarHBondContact O-CB 3.49Å; L29-L32 PolarHBondContact O-N 3.37Å; L29-L32 VanDerWaalsContact O-N 3.11Å; L29-D33 PolarHBondContact O-N 3.22Å |
| 30 | C | 67.1 | Low | 60.9 | Low | 68 Ų | 68 | 92.5 Ų | 92.5 | 46% | 0.459 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.9 | -36.5 | 174.6 | -68.5 | 0 | 0 | 0 | 0 | 112.1 | T26 V27 V34 | T26-C30 WeakPolarHBondContact O-CB 3.47Å; T26-C30 PolarHBondContact O-N 3.5Å; T26-C30 PolarHBondContact O-SG 3.03Å; V27-C30 PolarHBondContact O-N 3.3Å; C30-V34 WeakPolarHBondContact O-CB 3.32Å; C30-V34 WeakPolarHBondContact O-CG2 3.45Å; C30-V34 PolarHBondContact O-N 3.48Å |
| 31 | L | 59.7 | Low | 60.2 | Low | 94 Ų | 94 | 92.8 Ų | 92.8 | 49% | 0.492 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -72.2 | -32.2 | 175.6 | -73.1 | 171.3 | 0 | 0 | 0 | 112.4 | V27 L28 L29 R35 | V27-L31 HydrophobicContact CG1-CD1 3.77Å; V27-L31 HydrophobicContact CG1-CG 4.2Å; V27-L31 VanDerWaalsContact O-CB 3.29Å; V27-L31 WeakPolarHBondContact O-CB 3.38Å; V27-L31 WeakPolarHBondContact O-CG 3.33Å; V27-L31 PolarHBondContact O-N 3.17Å; L28-L31 PolarHBondContact O-N 3.09Å; L29-L31 VanDerWaalsContact C-N 3.28Å; L29-L31 PolarHBondContact O-N 3.46Å; L31-R35 WeakPolarHBondContact O-CB 3.34Å; L31-R35 WeakPolarHBondContact O-CG 3.27Å; L31-R35 PolarHBondContact O-N 3.4Å |
| 32 | L | 59.3 | Low | 60.3 | Low | 90 Ų | 90 | 96.5 Ų | 96.5 | 47% | 0.471 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.4 | -44.7 | 172.1 | -80.2 | 160.2 | 0 | 0 | 0 | 110.5 | L28 L29 R35 L36 | L28-L32 HydrophobicContact CG-CD1 4.25Å; L28-L32 WeakPolarHBondContact O-CB 3.4Å; L28-L32 WeakPolarHBondContact O-CD1 3.4Å; L28-L32 VanDerWaalsContact O-CG 3.29Å; L28-L32 WeakPolarHBondContact O-CG 3.4Å; L28-L32 PolarHBondContact O-N 3.37Å; L29-L32 WeakPolarHBondContact O-CB 3.49Å; L29-L32 PolarHBondContact O-N 3.37Å; L29-L32 VanDerWaalsContact O-N 3.11Å; L32-R35 PolarHBondContact O-N 2.91Å; L32-L36 WeakPolarHBondContact O-CB 3.47Å; L32-L36 PolarHBondContact O-N 3.43Å |
| 33 | D | 59.4 | Low | 61.1 | Low | 84 Ų | 84 | 96.5 Ų | 96.5 | 45% | 0.449 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -57.9 | -50.4 | 172.5 | -70.8 | -32.4 | 0 | 0 | 0 | 109.9 | L29 R35 L36 F37 | L29-D33 PolarHBondContact O-N 3.22Å; D33-R35 VanDerWaalsContact C-N 3.3Å; D33-R35 PolarHBondContact O-N 3.15Å; D33-L36 WeakPolarHBondContact O-CB 3.29Å; D33-L36 PolarHBondContact O-N 3.3Å; D33-L36 VanDerWaalsContact O-N 3.16Å; D33-F37 HydrophobicContact CB-CD2 4.42Å; D33-F37 HydrophobicContact CB-CE2 4.4Å; D33-F37 WeakPolarHBondContact O-CD2 3.4Å; D33-F37 PolarHBondContact O-N 3.33Å |
| 34 | V | 57.5 | Low | 62.3 | Low | 90 Ų | 90 | 94.4 Ų | 94.4 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.5 | -35.5 | 179 | 174 | 0 | 0 | 0 | 0 | 112.3 | C30 F37 A38 | C30-V34 WeakPolarHBondContact O-CB 3.32Å; C30-V34 WeakPolarHBondContact O-CG2 3.45Å; C30-V34 PolarHBondContact O-N 3.48Å; V34-F37 PolarHBondContact O-N 2.85Å; V34-A38 VanDerWaalsContact O-CB 3.24Å; V34-A38 WeakPolarHBondContact O-CB 3.43Å; V34-A38 PolarHBondContact O-N 2.85Å |
| 35 | R | 52.7 | Low | 63.8 | Low | 190 Ų | 190 | 88.7 Ų | 88.7 | 72% | 0.717 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -75.8 | -33.2 | 176.6 | -74.6 | -170.2 | -175.2 | -151.6 | 2.7 | 113.3 | L31 L32 D33 F37 N39 | L31-R35 WeakPolarHBondContact O-CB 3.34Å; L31-R35 WeakPolarHBondContact O-CG 3.27Å; L31-R35 PolarHBondContact O-N 3.4Å; L32-R35 PolarHBondContact O-N 2.91Å; D33-R35 VanDerWaalsContact C-N 3.3Å; D33-R35 PolarHBondContact O-N 3.15Å; R35-F37 VanDerWaalsContact C-N 3.34Å; R35-N39 PolarHBondContact O-N 3.23Å; R35-N39 VanDerWaalsContact O-N 3.11Å |
| 36 | L | 50.5 | Low | 65 | Low | 125 Ų | 125 | 83.3 Ų | 83.3 | 65% | 0.654 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -63.7 | -41.6 | 169 | -86.5 | 151 | 0 | 0 | 0 | 110.7 | L32 D33 A40 | L32-L36 WeakPolarHBondContact O-CB 3.47Å; L32-L36 PolarHBondContact O-N 3.43Å; D33-L36 WeakPolarHBondContact O-CB 3.29Å; D33-L36 PolarHBondContact O-N 3.3Å; D33-L36 VanDerWaalsContact O-N 3.16Å; L36-A40 PolarHBondContact O-N 3.11Å; L36-A40 VanDerWaalsContact O-N 3.15Å |
| 37 | F | 51.1 | Low | 66.3 | Low | 137 Ų | 137 | 81.6 Ų | 81.6 | 60% | 0.601 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -70.9 | -35.6 | 175 | -76.7 | -69.5 | 0 | 0 | 0 | 113.5 | D33 V34 R35 A40 G41 | D33-F37 HydrophobicContact CB-CD2 4.42Å; D33-F37 HydrophobicContact CB-CE2 4.4Å; D33-F37 WeakPolarHBondContact O-CD2 3.4Å; D33-F37 PolarHBondContact O-N 3.33Å; V34-F37 PolarHBondContact O-N 2.85Å; R35-F37 VanDerWaalsContact C-N 3.34Å; F37-A40 WeakPolarHBondContact O-CB 3.33Å; F37-A40 PolarHBondContact O-N 3.45Å; F37-G41 PolarHBondContact O-N 3.13Å |
| 38 | A | 46.3 | Very low | 67.7 | Low | 68 Ų | 68 | 77.6 Ų | 77.6 | 56% | 0.562 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -71.5 | -32.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V34 G41 | V34-A38 VanDerWaalsContact O-CB 3.24Å; V34-A38 WeakPolarHBondContact O-CB 3.43Å; V34-A38 PolarHBondContact O-N 2.85Å; A38-G41 WeakPolarHBondContact O-CA 3.34Å; A38-G41 PolarHBondContact O-N 2.95Å |
| 39 | N | 46.5 | Very low | 69 | Low | 154 Ų | 154 | 73 Ų | 73 | 82% | 0.824 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -80.5 | -17.5 | 171.9 | -89.1 | -10.4 | 0 | 0 | 0 | 113.6 | R35 G41 | R35-N39 PolarHBondContact O-N 3.23Å; R35-N39 VanDerWaalsContact O-N 3.11Å; N39-G41 PolarHBondContact O-N 3.31Å |
| 40 | A | 51.2 | Low | 70.4 | Confident | 29 Ų | 29 | 69.3 Ų | 69.3 | 24% | 0.24 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -5.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L36 F37 N42 L43 W257 | L36-A40 PolarHBondContact O-N 3.11Å; L36-A40 VanDerWaalsContact O-N 3.15Å; F37-A40 WeakPolarHBondContact O-CB 3.33Å; F37-A40 PolarHBondContact O-N 3.45Å; A40-N42 PolarHBondContact O-N 3.44Å; A40-L43 PolarHBondContact O-N 3.49Å; A40-W257 HydrophobicContact CB-CH2 4.25Å |
| 41 | G | 49.5 | Very low | 71.9 | Confident | 63 Ų | 63 | 66.1 Ų | 66.1 | 65% | 0.649 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | 54.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | F37 A38 N39 | F37-G41 PolarHBondContact O-N 3.13Å; A38-G41 WeakPolarHBondContact O-CA 3.34Å; A38-G41 PolarHBondContact O-N 2.95Å; N39-G41 PolarHBondContact O-N 3.31Å |
| 42 | N | 65.8 | Low | 73.7 | Confident | 135 Ų | 135 | 61.6 Ų | 61.6 | 72% | 0.722 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -170.1 | 9.1 | 136.2 | -143 | -7.4 | 0 | 0 | 0 | 111.1 | A40 R126 | A40-N42 PolarHBondContact O-N 3.44Å; N42-R126 PolarHBondContact O-NH1 3.03Å; N42-R126 PolarHBondContact O-NH2 2.83Å |
| 43 | L | 81.9 | Confident | 75.4 | Confident | 55 Ų | 55 | 57.3 Ų | 57.3 | 29% | 0.288 | 31% | 0.314 | S | S | . | . | trans | -84.2 | 126.4 | -177.2 | -65.2 | 175.5 | 0 | 0 | 0 | 109.6 | A40 Q234 I236 W257 | A40-L43 PolarHBondContact O-N 3.49Å; L43-Q234 HydrophobicContact CD2-CG 4.45Å; L43-I236 HydrophobicContact CB-CD1 4.16Å; L43-I236 HydrophobicContact CD2-CD1 3.74Å; L43-I236 HydrophobicContact CG-CD1 4.48Å; L43-W257 HydrophobicContact CB-CE3 4.31Å; L43-W257 HydrophobicContact CB-CH2 4.37Å; L43-W257 HydrophobicContact CB-CZ3 3.76Å; L43-W257 VanDerWaalsContact O-CE3 3.32Å; L43-W257 WeakPolarHBondContact O-CZ3 3.44Å | ||
| 44 | S | 92.5 | Very high | 77.1 | Confident | 12 Ų | 12 | 53.5 Ų | 53.5 | 8% | 0.084 | 29% | 0.294 | C | S | . | . | trans | -165.6 | 147.3 | -178.2 | 70.5 | 0 | 0 | 0 | 0 | 108.8 | N46 R126 W257 N259 | S44-N46 PolarHBondContact O-ND2 2.9Å; S44-R126 VanDerWaalsContact O-CZ 3.24Å; S44-R126 PolarHBondContact O-NE 3.06Å; S44-R126 PolarHBondContact O-NH2 2.67Å; S44-R126 PolarHBondContact OG-NH2 2.95Å; S44-W257 CarbonylContact C-O 3.38Å; S44-W257 VanDerWaalsContact CA-O 3.27Å; S44-W257 WeakPolarHBondContact CA-O 3.18Å; S44-W257 WeakPolarHBondContact CB-O 3.39Å; S44-N259 WeakPolarHBondContact CB-ND2 3.47Å | ||
| 45 | L | 96.4 | Very high | 78.6 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | B | Isolated β-bridge | trans | -92.3 | 148.8 | 167.1 | -66.7 | 168.2 | 0 | 0 | 0 | 109.1 | D49 L86 A124 I236 F237 L254 W257 Y258 N259 | L45-D49 WeakPolarHBondContact CA-OD2 3.42Å; L45-D49 HydrophobicContact CD2-CB 3.96Å; L45-L86 HydrophobicContact CB-CD2 3.93Å; L45-L86 HydrophobicContact CD1-CD2 4.38Å; L45-A124 HydrophobicContact CD1-CB 3.68Å; L45-A124 HydrophobicContact CD2-CB 4.06Å; L45-A124 HydrophobicContact CG-CB 4.48Å; L45-I236 HydrophobicContact CD2-CB 4.18Å; L45-I236 HydrophobicContact CD2-CG1 3.63Å; L45-I236 HydrophobicContact CG-CB 4.33Å; L45-I236 HydrophobicContact CG-CG1 4.07Å; L45-I236 HydrophobicContact CG-CG2 4.27Å; L45-F237 HydrophobicContact CD1-CE1 3.88Å; L45-L254 HydrophobicContact CD1-CD2 3.89Å; L45-W257 HydrophobicContact CD1-CB 4.03Å; L45-W257 HydrophobicContact CG-CB 4.19Å; L45-W257 PolarHBondContact N-O 3.35Å; L45-Y258 HydrophobicContact CB-CD2 4.28Å; L45-Y258 WeakPolarHBondContact O-CA 3.29Å; L45-N259 PolarHBondContact O-N 3.27Å |
| 46 | N | 96.8 | Very high | 80.1 | Confident | 16 Ų | 16 | 41.5 Ų | 41.5 | 9% | 0.086 | 24% | 0.242 | C | C | . | . | trans | -139.3 | 161.8 | 179.9 | -51.6 | -99.1 | 0 | 0 | 0 | 107.1 | S44 G48 D49 R132 K135 | S44-N46 PolarHBondContact O-ND2 2.9Å; N46-G48 PolarHBondContact O-N 2.92Å; N46-D49 WeakPolarHBondContact CB-OD2 3.44Å; N46-D49 PolarHBondContact N-OD2 3.12Å; N46-D49 PolarHBondContact ND2-OD2 3.29Å; N46-D49 VanDerWaalsContact ND2-OD2 3.1Å; N46-D49 VanDerWaalsContact O-CB 3.26Å; N46-D49 WeakPolarHBondContact O-CB 3.16Å; N46-D49 PolarHBondContact O-N 3.36Å; N46-R132 PolarHBondContact OD1-NH1 2.94Å; N46-K135 PolarHBondContact ND2-NZ 3.36Å | ||
| 47 | R | 98.2 | Very high | 81.5 | Confident | 46 Ų | 46 | 37.9 Ų | 37.9 | 17% | 0.174 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | 134.3 | 162.8 | 175.8 | 177.8 | -178.4 | 81.5 | 2.8 | 110.7 | L86 L87 K135 D136 A139 S140 E143 Y258 | R47-L86 CarbonylContact C-O 3.58Å; R47-L86 WeakPolarHBondContact CA-O 3.16Å; R47-L87 PolarHBondContact NH1-O 3.23Å; R47-K135 VanDerWaalsContact O-CB 3.32Å; R47-K135 WeakPolarHBondContact O-CB 3.25Å; R47-D136 WeakPolarHBondContact CB-OD1 3.33Å; R47-D136 WeakPolarHBondContact CD-OD1 3.46Å; R47-A139 HydrophobicContact CG-CB 3.54Å; R47-S140 PolarHBondContact NH2-OG 3.43Å; R47-E143 IonicContact CZ-OE1 3.64Å; R47-E143 IonicContact NH1-OE1 2.75Å; R47-E143 PolarHBondContact NH1-OE1 3.49Å; R47-E143 IonicContact NH2-OE1 2.68Å; R47-E143 PolarHBondContact NH2-OE1 3.24Å; R47-Y258 PolarHBondContact N-OH 3.45Å |
| 48 | G | 98.4 | Very high | 82.9 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.2 | -19.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | N46 L86 K135 Y177 | N46-G48 PolarHBondContact O-N 2.92Å; G48-L86 PolarHBondContact N-O 3.35Å; G48-K135 WeakPolarHBondContact CA-O 3.27Å; G48-Y177 PolarHBondContact O-OH 3.4Å |
| 49 | D | 98.4 | Very high | 84.5 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -65.7 | 165.8 | 171.7 | -67.7 | -34.6 | 0 | 0 | 0 | 110.8 | L45 N46 L86 M125 R126 V127 K135 | L45-D49 WeakPolarHBondContact CA-OD2 3.42Å; L45-D49 HydrophobicContact CD2-CB 3.96Å; N46-D49 WeakPolarHBondContact CB-OD2 3.44Å; N46-D49 PolarHBondContact N-OD2 3.12Å; N46-D49 PolarHBondContact ND2-OD2 3.29Å; N46-D49 VanDerWaalsContact ND2-OD2 3.1Å; N46-D49 VanDerWaalsContact O-CB 3.26Å; N46-D49 WeakPolarHBondContact O-CB 3.16Å; N46-D49 PolarHBondContact O-N 3.36Å; D49-L86 WeakPolarHBondContact O-CB 3.35Å; D49-L86 PolarHBondContact O-N 2.77Å; D49-M125 WeakPolarHBondContact CB-O 3.42Å; D49-R126 WeakPolarHBondContact OD1-CA 3.49Å; D49-V127 PolarHBondContact OD1-N 3.4Å; D49-K135 VanDerWaalsContact CG-NZ 3.34Å; D49-K135 WeakPolarHBondContact OD1-CD 3.37Å; D49-K135 IonicContact OD1-NZ 2.86Å; D49-K135 PolarHBondContact OD1-NZ 3.18Å; D49-K135 IonicContact OD2-NZ 3.6Å; D49-K135 PolarHBondContact OD2-NZ 2.78Å | ||
| 50 | L | 98.7 | Very high | 86 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 145.8 | -165.2 | -54.7 | -177.3 | 0 | 0 | 0 | 112.6 | F52 V83 S84 V85 M125 V127 V173 F186 L233 | L50-F52 HydrophobicContact CB-CD2 4.36Å; L50-F52 HydrophobicContact CB-CE2 3.82Å; L50-F52 HydrophobicContact CD1-CE2 4.01Å; L50-F52 HydrophobicContact CD1-CZ 4.12Å; L50-V83 HydrophobicContact CB-CG2 4.26Å; L50-V83 HydrophobicContact CD1-CG2 4.36Å; L50-S84 WeakPolarHBondContact CA-O 3.35Å; L50-V85 HydrophobicContact CD2-CG2 4.03Å; L50-M125 HydrophobicContact CB-CB 4.46Å; L50-M125 PolarHBondContact N-O 3.46Å; L50-M125 PolarHBondContact O-N 2.91Å; L50-V127 HydrophobicContact CD1-CG2 4.2Å; L50-V127 HydrophobicContact CG-CG2 3.9Å; L50-V173 HydrophobicContact CD1-CG1 3.76Å; L50-V173 HydrophobicContact CD2-CG1 3.8Å; L50-V173 HydrophobicContact CD2-CG2 4.02Å; L50-V173 HydrophobicContact CG-CG1 4.46Å; L50-F186 HydrophobicContact CD1-CZ 4.06Å; L50-L233 HydrophobicContact CD1-CD1 4.36Å; L50-L233 HydrophobicContact CD1-CD2 3.73Å; L50-L233 HydrophobicContact CG-CD2 4.41Å |
| 51 | I | 98.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 123.9 | 169.1 | -55.4 | -61.5 | 0 | 0 | 0 | 108.7 | W53 V83 S84 L86 I92 M106 V122 A124 L254 | I51-W53 HydrophobicContact CB-CZ2 4.45Å; I51-W53 HydrophobicContact CG2-CD2 4.33Å; I51-W53 HydrophobicContact CG2-CH2 4.26Å; I51-W53 HydrophobicContact CG2-CZ2 3.61Å; I51-V83 CarbonylContact O-C 3.5Å; I51-V83 WeakPolarHBondContact O-CA 3.29Å; I51-S84 PolarHBondContact N-O 2.85Å; I51-S84 PolarHBondContact O-N 2.89Å; I51-L86 HydrophobicContact CD1-CD1 4.23Å; I51-L86 HydrophobicContact CG1-CD1 3.98Å; I51-I92 HydrophobicContact CG1-CG2 4.45Å; I51-M106 HydrophobicContact CD1-CE 4.22Å; I51-M106 HydrophobicContact CG1-CE 3.76Å; I51-V122 HydrophobicContact CG2-CG1 3.57Å; I51-A124 HydrophobicContact CD1-CB 3.64Å; I51-L254 HydrophobicContact CD1-CD2 3.81Å |
| 52 | F | 97.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 138.8 | 173.8 | -71.2 | -96.3 | 0 | 0 | 0 | 110.6 | L50 A80 V83 V122 T123 M125 L227 I228 L233 | L50-F52 HydrophobicContact CB-CD2 4.36Å; L50-F52 HydrophobicContact CB-CE2 3.82Å; L50-F52 HydrophobicContact CD1-CE2 4.01Å; L50-F52 HydrophobicContact CD1-CZ 4.12Å; F52-A80 HydrophobicContact CD1-CB 4.17Å; F52-V83 HydrophobicContact CD1-CB 3.91Å; F52-V83 HydrophobicContact CD1-CG2 3.89Å; F52-V83 HydrophobicContact CD2-CG2 4.21Å; F52-V83 HydrophobicContact CE1-CB 3.82Å; F52-V83 HydrophobicContact CE1-CG2 3.6Å; F52-V83 HydrophobicContact CE2-CG2 3.94Å; F52-V83 HydrophobicContact CG-CG2 4.2Å; F52-V83 HydrophobicContact CZ-CB 4.36Å; F52-V83 HydrophobicContact CZ-CG2 3.62Å; F52-V122 WeakPolarHBondContact O-CA 3.29Å; F52-T123 PolarHBondContact N-O 3.04Å; F52-T123 PolarHBondContact O-N 3.41Å; F52-M125 HydrophobicContact CD2-CB 4.31Å; F52-M125 HydrophobicContact CD2-CG 3.59Å; F52-M125 HydrophobicContact CE2-CB 4.13Å; F52-M125 HydrophobicContact CE2-CG 3.74Å; F52-L227 HydrophobicContact CE1-CB 4.15Å; F52-L227 HydrophobicContact CE1-CD2 4.08Å; F52-L227 HydrophobicContact CE1-CG 4.16Å; F52-L227 HydrophobicContact CZ-CB 4.36Å; F52-L227 HydrophobicContact CZ-CD2 3.96Å; F52-L227 HydrophobicContact CZ-CG 3.93Å; F52-I228 HydrophobicContact CB-CD1 3.72Å; F52-I228 HydrophobicContact CB-CG1 4.37Å; F52-I228 HydrophobicContact CD1-CB 3.73Å; F52-I228 HydrophobicContact CD1-CD1 4.04Å; F52-I228 HydrophobicContact CD1-CG1 3.96Å; F52-I228 HydrophobicContact CD2-CB 4.45Å; F52-I228 HydrophobicContact CD2-CD1 4.19Å; F52-I228 HydrophobicContact CD2-CG1 3.94Å; F52-I228 HydrophobicContact CE1-CB 3.64Å; F52-I228 HydrophobicContact CE1-CG1 4.19Å; F52-I228 HydrophobicContact CE2-CB 4.39Å; F52-I228 HydrophobicContact CE2-CG1 4.18Å; F52-I228 HydrophobicContact CG-CB 4.13Å; F52-I228 HydrophobicContact CG-CD1 3.72Å; F52-I228 HydrophobicContact CG-CG1 3.82Å; F52-I228 HydrophobicContact CZ-CB 3.99Å; F52-I228 HydrophobicContact CZ-CG1 4.29Å; F52-L233 HydrophobicContact CE2-CD1 3.87Å; F52-L233 HydrophobicContact CZ-CD1 3.84Å |
| 53 | W | 95.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 120.3 | 178.3 | -45.2 | 82 | 0 | 0 | 0 | 108.6 | I51 A80 F81 Q82 S84 I92 M106 Y109 A110 L113 I120 V122 | I51-W53 HydrophobicContact CB-CZ2 4.45Å; I51-W53 HydrophobicContact CG2-CD2 4.33Å; I51-W53 HydrophobicContact CG2-CH2 4.26Å; I51-W53 HydrophobicContact CG2-CZ2 3.61Å; W53-A80 WeakPolarHBondContact O-CA 3.38Å; W53-F81 VanDerWaalsContact C-CE1 3.49Å; W53-F81 HydrophobicContact CB-CE1 3.87Å; W53-F81 HydrophobicContact CB-CE2 4.14Å; W53-F81 HydrophobicContact CB-CZ 3.58Å; W53-F81 WeakPolarHBondContact O-CD1 3.2Å; W53-F81 VanDerWaalsContact O-CE1 3.31Å; W53-F81 WeakPolarHBondContact O-CE1 3.31Å; W53-F81 PolarHBondContact O-N 2.74Å; W53-Q82 HydrophobicContact CB-CB 4.06Å; W53-Q82 HydrophobicContact CG-CB 4.2Å; W53-Q82 HydrophobicContact CG-CG 4.32Å; W53-Q82 PolarHBondContact N-O 3.23Å; W53-Q82 PolarHBondContact O-N 3.22Å; W53-S84 PolarHBondContact NE1-OG 3.12Å; W53-I92 HydrophobicContact CH2-CD1 4.48Å; W53-I92 HydrophobicContact CZ2-CD1 3.65Å; W53-M106 HydrophobicContact CH2-SD 3.43Å; W53-M106 WeakPolarHBondContact CH2-SD 3.33Å; W53-M106 HydrophobicContact CZ2-SD 3.63Å; W53-Y109 HydrophobicContact CD2-CD1 4.08Å; W53-Y109 AromaticContact CD2-CE1 3.75Å; W53-Y109 HydrophobicContact CD2-CE1 3.75Å; W53-Y109 AromaticContact CE2-CD1 3.7Å; W53-Y109 AromaticContact CE2-CE1 3.58Å; W53-Y109 HydrophobicContact CE3-CD1 4.23Å; W53-Y109 HydrophobicContact CE3-CE1 4.2Å; W53-Y109 HydrophobicContact CG-CE1 4.16Å; W53-Y109 AromaticContact CH2-CD1 3.68Å; W53-Y109 HydrophobicContact CH2-CD1 3.68Å; W53-Y109 HydrophobicContact CH2-CE1 4.35Å; W53-Y109 AromaticContact CZ2-CD1 3.52Å; W53-Y109 HydrophobicContact CZ2-CD1 3.52Å; W53-Y109 AromaticContact CZ2-CE1 3.93Å; W53-Y109 HydrophobicContact CZ2-CE1 3.93Å; W53-Y109 HydrophobicContact CZ3-CD1 4.03Å; W53-Y109 HydrophobicContact CZ3-CE1 4.47Å; W53-Y109 AromaticContact NE1-CE1 3.83Å; W53-A110 HydrophobicContact CH2-CB 4.39Å; W53-A110 HydrophobicContact CZ3-CB 4Å; W53-L113 HydrophobicContact CB-CD1 4.43Å; W53-L113 HydrophobicContact CD2-CD1 4.01Å; W53-L113 HydrophobicContact CE3-CD1 3.56Å; W53-L113 HydrophobicContact CG-CD1 4.38Å; W53-L113 HydrophobicContact CZ3-CD1 4.15Å; W53-I120 HydrophobicContact CE3-CD1 4.27Å; W53-I120 HydrophobicContact CZ3-CD1 4.37Å; W53-V122 HydrophobicContact CE3-CG2 3.78Å; W53-V122 HydrophobicContact CZ3-CG1 4.29Å; W53-V122 HydrophobicContact CZ3-CG2 3.65Å |
| 54 | S | 93.7 | Very high | 90.1 | Very high | 4 Ų | 4 | 28.7 Ų | 28.7 | 3% | 0.028 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 152.6 | -173.9 | -58.3 | 0 | 0 | 0 | 0 | 111.2 | A79 A80 I120 R121 | S54-A79 WeakPolarHBondContact CA-O 3.4Å; S54-A80 VanDerWaalsContact OG-CA 3.23Å; S54-A80 WeakPolarHBondContact OG-CA 3.15Å; S54-A80 WeakPolarHBondContact OG-CB 3.49Å; S54-A80 PolarHBondContact OG-N 3.02Å; S54-I120 WeakPolarHBondContact O-CA 3.32Å; S54-R121 PolarHBondContact N-O 2.88Å; S54-R121 PolarHBondContact O-N 3.1Å |
| 55 | R | 89.7 | Confident | 90.1 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 152.7 | 170.2 | -75.8 | -178.8 | -178.8 | -173.1 | 3.1 | 110.4 | I57 A63 Q67 I71 A79 F81 L113 S117 I120 | R55-I57 PolarHBondContact O-N 3.27Å; R55-A63 VanDerWaalsContact NH1-CB 3.32Å; R55-Q67 VanDerWaalsContact NH1-OE1 3.08Å; R55-I71 HydrophobicContact CB-CD1 4.09Å; R55-A79 PolarHBondContact N-O 3.46Å; R55-A79 PolarHBondContact O-N 3.47Å; R55-A79 VanDerWaalsContact O-N 3.11Å; R55-F81 HydrophobicContact CB-CD1 4.48Å; R55-F81 HydrophobicContact CG-CD1 4.15Å; R55-F81 HydrophobicContact CG-CE1 3.79Å; R55-L113 PolarHBondContact NH2-O 2.86Å; R55-L113 VanDerWaalsContact NH2-O 3.16Å; R55-S117 PolarHBondContact NE-OG 2.74Å; R55-S117 VanDerWaalsContact NH2-CB 3.34Å; R55-S117 PolarHBondContact NH2-OG 2.94Å; R55-I120 HydrophobicContact CG-CG2 4.21Å |
| 56 | P | 84.5 | Confident | 90 | Very high | 27 Ų | 27 | 32.8 Ų | 32.8 | 18% | 0.175 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 130 | 168 | -16.4 | 29.2 | 0 | 0 | 0 | 110.5 | K58 D59 M78 | P56-K58 PolarHBondContact O-N 2.86Å; P56-D59 HydrophobicContact CB-CB 4.27Å; P56-D59 HydrophobicContact CG-CB 4.49Å; P56-D59 CarbonylContact O-C 3.54Å; P56-D59 PolarHBondContact O-N 3.38Å; P56-D59 VanDerWaalsContact O-N 3.08Å; P56-M78 WeakPolarHBondContact CA-SD 3.38Å; P56-M78 HydrophobicContact CB-SD 3.69Å; P56-M78 HydrophobicContact CG-CE 4.1Å; P56-M78 HydrophobicContact CG-SD 3.65Å; P56-M78 VanDerWaalsContact N-SD 3.41Å |
| 57 | I | 80.1 | Confident | 89.7 | Confident | 50 Ų | 50 | 33 Ų | 33 | 26% | 0.256 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -33.6 | 176.8 | -75.7 | -152.3 | 0 | 0 | 0 | 111.7 | R55 Q60 I71 N76 E77 A79 | R55-I57 PolarHBondContact O-N 3.27Å; I57-Q60 WeakPolarHBondContact O-CG 3.05Å; I57-Q60 PolarHBondContact O-NE2 3.02Å; I57-I71 HydrophobicContact CD1-CG2 4.24Å; I57-I71 HydrophobicContact CG1-CG2 3.84Å; I57-N76 WeakPolarHBondContact CD1-O 3.03Å; I57-N76 WeakPolarHBondContact CG1-O 3.41Å; I57-E77 PolarHBondContact N-O 2.88Å; I57-A79 HydrophobicContact CD1-CB 4.2Å; I57-A79 HydrophobicContact CG1-CB 3.97Å |
| 58 | K | 81 | Confident | 89.4 | Confident | 198 Ų | 198 | 34.6 Ų | 34.6 | 86% | 0.861 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -17.9 | -178.4 | -62.8 | -178.5 | -177.2 | 173.4 | 0 | 113.5 | P56 | P56-K58 PolarHBondContact O-N 2.86Š|
| 59 | D | 79.4 | Confident | 89.2 | Confident | 48 Ų | 48 | 34.6 Ų | 34.6 | 26% | 0.257 | 20% | 0.198 | S | C | . | . | trans | -122.9 | 84.4 | 177.5 | -171.5 | 2 | 0 | 0 | 0 | 110 | P56 S61 | P56-D59 HydrophobicContact CB-CB 4.27Å; P56-D59 HydrophobicContact CG-CB 4.49Å; P56-D59 CarbonylContact O-C 3.54Å; P56-D59 PolarHBondContact O-N 3.38Å; P56-D59 VanDerWaalsContact O-N 3.08Å; D59-S61 VanDerWaalsContact C-N 3.32Å; D59-S61 VanDerWaalsContact OD1-CB 3.24Å; D59-S61 WeakPolarHBondContact OD1-CB 3.43Å; D59-S61 PolarHBondContact OD1-N 3.04Å; D59-S61 VanDerWaalsContact OD1-N 3.1Å; D59-S61 PolarHBondContact OD1-OG 2.93Å | ||
| 60 | Q | 77.6 | Confident | 88.9 | Confident | 31 Ų | 31 | 35.3 Ų | 35.3 | 15% | 0.145 | 20% | 0.203 | C | C | . | . | trans | -101.1 | 23.9 | 172.6 | -56.3 | 179.6 | 37.7 | 0 | 0 | 110.9 | I57 G62 A63 K68 I71 | I57-Q60 WeakPolarHBondContact O-CG 3.05Å; I57-Q60 PolarHBondContact O-NE2 3.02Å; Q60-G62 PolarHBondContact O-N 3.39Å; Q60-A63 HydrophobicContact CB-CB 4.22Å; Q60-A63 WeakPolarHBondContact O-CB 3.49Å; Q60-A63 PolarHBondContact O-N 2.98Å; Q60-A63 VanDerWaalsContact O-N 3.14Å; Q60-K68 HydrophobicContact CB-CG 4.14Å; Q60-K68 WeakPolarHBondContact O-CE 3.33Å; Q60-K68 VanDerWaalsContact OE1-CA 3.32Å; Q60-K68 VanDerWaalsContact OE1-CB 3.26Å; Q60-K68 VanDerWaalsContact OE1-CG 3.23Å; Q60-I71 HydrophobicContact CG-CD1 4.46Å; Q60-I71 HydrophobicContact CG-CG2 4.39Å | ||
| 61 | S | 79.5 | Confident | 88.5 | Confident | 45 Ų | 45 | 35.3 Ų | 35.3 | 32% | 0.315 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 128 | 177 | 64.6 | 0 | 0 | 0 | 0 | 110 | D59 A63 S117 | D59-S61 VanDerWaalsContact C-N 3.32Å; D59-S61 VanDerWaalsContact OD1-CB 3.24Å; D59-S61 WeakPolarHBondContact OD1-CB 3.43Å; D59-S61 PolarHBondContact OD1-N 3.04Å; D59-S61 VanDerWaalsContact OD1-N 3.1Å; D59-S61 PolarHBondContact OD1-OG 2.93Å; S61-A63 PolarHBondContact O-N 3.26Å; S61-A63 VanDerWaalsContact O-N 3.17Å; S61-S117 WeakPolarHBondContact O-CB 3.27Å |
| 62 | G | 81.4 | Confident | 88.1 | Confident | 53 Ų | 53 | 38.8 Ų | 38.8 | 55% | 0.546 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | 7.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | Q60 D116 | Q60-G62 PolarHBondContact O-N 3.39Å; G62-D116 CarbonylContact C-O 3.53Å; G62-D116 WeakPolarHBondContact CA-O 3.43Å |
| 63 | A | 85.3 | Confident | 87.6 | Confident | 8 Ų | 8 | 39 Ų | 39 | 7% | 0.066 | 22% | 0.221 | C | C | . | . | trans | -64.4 | 139.6 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | R55 Q60 S61 Q67 K68 | R55-A63 VanDerWaalsContact NH1-CB 3.32Å; Q60-A63 HydrophobicContact CB-CB 4.22Å; Q60-A63 WeakPolarHBondContact O-CB 3.49Å; Q60-A63 PolarHBondContact O-N 2.98Å; Q60-A63 VanDerWaalsContact O-N 3.14Å; S61-A63 PolarHBondContact O-N 3.26Å; S61-A63 VanDerWaalsContact O-N 3.17Å; A63-Q67 HydrophobicContact CB-CB 4.28Å; A63-Q67 HydrophobicContact CB-CG 4.32Å; A63-K68 HydrophobicContact CB-CG 3.69Å; A63-K68 VanDerWaalsContact O-CE 3.23Å; A63-K68 WeakPolarHBondContact O-CE 3.44Å | ||
| 64 | S | 89 | Confident | 87 | Confident | 64 Ų | 64 | 39.6 Ų | 39.6 | 45% | 0.448 | 23% | 0.225 | S | C | . | . | trans | -63.5 | 155.3 | 169.9 | 69.7 | 0 | 0 | 0 | 0 | 110.4 | F66 Q67 K68 | S64-F66 PolarHBondContact O-N 2.81Å; S64-Q67 PolarHBondContact O-N 3.16Å; S64-Q67 WeakPolarHBondContact OG-CB 3.09Å; S64-Q67 PolarHBondContact OG-N 2.74Å; S64-Q67 VanDerWaalsContact OG-N 3.16Å; S64-K68 WeakPolarHBondContact O-CG 3.47Å; S64-K68 PolarHBondContact O-N 2.91Å | ||
| 65 | S | 92.4 | Very high | 86 | Confident | 73 Ų | 73 | 41.7 Ų | 41.7 | 51% | 0.51 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -54.5 | -39 | 175.9 | 47.1 | 0 | 0 | 0 | 0 | 112.2 | K68 A69 | S65-K68 PolarHBondContact O-N 3.11Å; S65-A69 WeakPolarHBondContact O-CB 3.04Å; S65-A69 PolarHBondContact O-N 3.34Å |
| 66 | F | 93.6 | Very high | 84.9 | Confident | 25 Ų | 25 | 43.5 Ų | 43.5 | 11% | 0.11 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.2 | -52.5 | 172 | -175.6 | -87.6 | 0 | 0 | 0 | 112.3 | S64 K68 A69 V70 P97 Y150 F154 Y203 W204 Y207 | S64-F66 PolarHBondContact O-N 2.81Å; F66-K68 VanDerWaalsContact C-N 3.32Å; F66-K68 PolarHBondContact O-N 2.83Å; F66-A69 PolarHBondContact O-N 2.8Å; F66-V70 HydrophobicContact CD1-CG2 4.07Å; F66-V70 HydrophobicContact CE1-CG2 3.63Å; F66-V70 HydrophobicContact CZ-CG2 4.04Å; F66-V70 WeakPolarHBondContact O-CG2 3.5Å; F66-V70 PolarHBondContact O-N 2.85Å; F66-P97 HydrophobicContact CD1-CG 3.72Å; F66-P97 HydrophobicContact CD2-CG 4.42Å; F66-P97 HydrophobicContact CE1-CG 3.55Å; F66-P97 HydrophobicContact CE2-CG 4.28Å; F66-P97 HydrophobicContact CG-CG 4.17Å; F66-P97 HydrophobicContact CZ-CG 3.88Å; F66-Y150 HydrophobicContact CE2-CE1 4.35Å; F66-Y150 AromaticContact CZ-CE1 3.97Å; F66-Y150 HydrophobicContact CZ-CE1 3.97Å; F66-Y150 AromaticContact CZ-CZ 3.89Å; F66-Y150 VanDerWaalsContact CZ-OH 3.22Å; F66-Y150 WeakPolarHBondContact CZ-OH 3.26Å; F66-F154 HydrophobicContact CE2-CZ 4.05Å; F66-F154 HydrophobicContact CZ-CE1 4.4Å; F66-F154 AromaticContact CZ-CZ 3.91Å; F66-F154 HydrophobicContact CZ-CZ 3.91Å; F66-Y203 VanDerWaalsContact CA-OH 3.31Å; F66-Y203 WeakPolarHBondContact CA-OH 3.4Å; F66-Y203 WeakPolarHBondContact CB-OH 3.32Å; F66-Y203 HydrophobicContact CD2-CE1 4.33Å; F66-W204 HydrophobicContact CD2-CH2 4.1Å; F66-W204 HydrophobicContact CD2-CZ3 4.29Å; F66-W204 AromaticContact CE2-CH2 3.69Å; F66-W204 HydrophobicContact CE2-CH2 3.69Å; F66-W204 AromaticContact CE2-CZ3 3.9Å; F66-W204 HydrophobicContact CE2-CZ3 3.9Å; F66-W204 HydrophobicContact CZ-CH2 4.08Å; F66-Y207 AromaticContact CD2-CE2 3.95Å; F66-Y207 HydrophobicContact CD2-CE2 3.95Å; F66-Y207 HydrophobicContact CE2-CE2 4.02Å |
| 67 | Q | 91.4 | Very high | 84 | Confident | 20 Ų | 20 | 50.2 Ų | 50.2 | 9% | 0.093 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.9 | -38.8 | -178.2 | -173.4 | -175.4 | 15.6 | 0 | 0 | 111.7 | R55 A63 S64 V70 I71 F81 | R55-Q67 VanDerWaalsContact NH1-OE1 3.08Å; A63-Q67 HydrophobicContact CB-CB 4.28Å; A63-Q67 HydrophobicContact CB-CG 4.32Å; S64-Q67 PolarHBondContact O-N 3.16Å; S64-Q67 WeakPolarHBondContact OG-CB 3.09Å; S64-Q67 PolarHBondContact OG-N 2.74Å; S64-Q67 VanDerWaalsContact OG-N 3.16Å; Q67-V70 PolarHBondContact O-N 3.01Å; Q67-I71 HydrophobicContact CG-CD1 4.04Å; Q67-I71 WeakPolarHBondContact O-CB 3.46Å; Q67-I71 VanDerWaalsContact O-CG1 3.31Å; Q67-I71 WeakPolarHBondContact O-CG1 3.5Å; Q67-I71 PolarHBondContact O-N 2.85Å; Q67-F81 HydrophobicContact CG-CB 4Å; Q67-F81 HydrophobicContact CG-CD2 3.85Å; Q67-F81 HydrophobicContact CG-CG 3.86Å; Q67-F81 VanDerWaalsContact NE2-CD1 3.33Å; Q67-F81 VanDerWaalsContact NE2-CE1 3.29Å; Q67-F81 VanDerWaalsContact NE2-CG 3.29Å |
| 68 | K | 91.3 | Very high | 83.4 | Confident | 80 Ų | 80 | 50.6 Ų | 50.6 | 35% | 0.348 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.6 | -49.2 | 174 | -66.3 | -177.1 | 177.9 | 169.4 | 0 | 111.3 | Q60 A63 S64 S65 F66 V70 I71 E72 | Q60-K68 HydrophobicContact CB-CG 4.14Å; Q60-K68 WeakPolarHBondContact O-CE 3.33Å; Q60-K68 VanDerWaalsContact OE1-CA 3.32Å; Q60-K68 VanDerWaalsContact OE1-CB 3.26Å; Q60-K68 VanDerWaalsContact OE1-CG 3.23Å; A63-K68 HydrophobicContact CB-CG 3.69Å; A63-K68 VanDerWaalsContact O-CE 3.23Å; A63-K68 WeakPolarHBondContact O-CE 3.44Å; S64-K68 WeakPolarHBondContact O-CG 3.47Å; S64-K68 PolarHBondContact O-N 2.91Å; S65-K68 PolarHBondContact O-N 3.11Å; F66-K68 VanDerWaalsContact C-N 3.32Å; F66-K68 PolarHBondContact O-N 2.83Å; K68-V70 VanDerWaalsContact C-N 3.3Å; K68-V70 PolarHBondContact O-N 3.4Å; K68-I71 WeakPolarHBondContact O-CB 3.46Å; K68-I71 PolarHBondContact O-N 3.33Å; K68-E72 WeakPolarHBondContact O-CG 3.27Å; K68-E72 PolarHBondContact O-N 2.91Å |
| 69 | A | 93.4 | Very high | 83.7 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.008 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63 | -35.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | S65 F66 S73 Y203 W204 | S65-A69 WeakPolarHBondContact O-CB 3.04Å; S65-A69 PolarHBondContact O-N 3.34Å; F66-A69 PolarHBondContact O-N 2.8Å; A69-S73 PolarHBondContact O-N 3.14Å; A69-S73 PolarHBondContact O-OG 3.1Å; A69-Y203 HydrophobicContact CB-CD1 3.2Å; A69-Y203 HydrophobicContact CB-CE1 3.78Å; A69-Y203 HydrophobicContact CB-CG 3.74Å; A69-W204 HydrophobicContact CB-CD2 4.42Å; A69-W204 HydrophobicContact CB-CZ2 3.72Å |
| 70 | V | 92.7 | Very high | 84.4 | Confident | 15 Ų | 15 | 39 Ų | 39 | 9% | 0.091 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.9 | -44.3 | 171.2 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | F66 Q67 K68 S73 F81 W204 H223 | F66-V70 HydrophobicContact CD1-CG2 4.07Å; F66-V70 HydrophobicContact CE1-CG2 3.63Å; F66-V70 HydrophobicContact CZ-CG2 4.04Å; F66-V70 WeakPolarHBondContact O-CG2 3.5Å; F66-V70 PolarHBondContact O-N 2.85Å; Q67-V70 PolarHBondContact O-N 3.01Å; K68-V70 VanDerWaalsContact C-N 3.3Å; K68-V70 PolarHBondContact O-N 3.4Å; V70-S73 PolarHBondContact O-N 2.93Å; V70-F81 HydrophobicContact CG1-CB 4.28Å; V70-W204 HydrophobicContact CG2-CH2 4.05Å; V70-W204 HydrophobicContact CG2-CZ2 3.93Å; V70-H223 PolarHBondContact O-CE1 3.02Å; V70-H223 PolarHBondContact O-NE2 2.87Å |
| 71 | I | 90.8 | Very high | 85.1 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.5 | -43.9 | 177.8 | -75.3 | 168.4 | 0 | 0 | 0 | 111.3 | R55 I57 Q60 Q67 K68 S73 A74 A79 F81 | R55-I71 HydrophobicContact CB-CD1 4.09Å; I57-I71 HydrophobicContact CD1-CG2 4.24Å; I57-I71 HydrophobicContact CG1-CG2 3.84Å; Q60-I71 HydrophobicContact CG-CD1 4.46Å; Q60-I71 HydrophobicContact CG-CG2 4.39Å; Q67-I71 HydrophobicContact CG-CD1 4.04Å; Q67-I71 WeakPolarHBondContact O-CB 3.46Å; Q67-I71 VanDerWaalsContact O-CG1 3.31Å; Q67-I71 WeakPolarHBondContact O-CG1 3.5Å; Q67-I71 PolarHBondContact O-N 2.85Å; K68-I71 WeakPolarHBondContact O-CB 3.46Å; K68-I71 PolarHBondContact O-N 3.33Å; I71-S73 VanDerWaalsContact C-N 3.26Å; I71-S73 PolarHBondContact O-N 3.16Å; I71-A74 WeakPolarHBondContact O-CB 3.22Å; I71-A74 PolarHBondContact O-N 3.27Å; I71-A79 HydrophobicContact CB-CB 4.08Å; I71-A79 HydrophobicContact CG1-CB 4.03Å; I71-A79 HydrophobicContact CG2-CB 3.72Å; I71-F81 HydrophobicContact CD1-CB 4.33Å; I71-F81 HydrophobicContact CG1-CB 3.9Å |
| 72 | E | 90.1 | Very high | 85.9 | Confident | 73 Ų | 73 | 36.9 Ų | 36.9 | 34% | 0.341 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.2 | -32 | 179.7 | -71.3 | 169.1 | 160 | 0 | 0 | 112.3 | K68 A74 L195 N201 | K68-E72 WeakPolarHBondContact O-CG 3.27Å; K68-E72 PolarHBondContact O-N 2.91Å; E72-A74 PolarHBondContact O-N 2.86Å; E72-L195 HydrophobicContact CB-CD2 4.07Å; E72-L195 HydrophobicContact CG-CD2 4.47Å; E72-N201 PolarHBondContact OE2-ND2 2.8Å |
| 73 | S | 88 | Confident | 86.7 | Confident | 5 Ų | 5 | 34.4 Ų | 34.4 | 4% | 0.035 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -7.2 | 173.2 | -75.2 | 0 | 0 | 0 | 0 | 114.5 | A69 V70 I71 N192 R226 | A69-S73 PolarHBondContact O-N 3.14Å; A69-S73 PolarHBondContact O-OG 3.1Å; V70-S73 PolarHBondContact O-N 2.93Å; I71-S73 VanDerWaalsContact C-N 3.26Å; I71-S73 PolarHBondContact O-N 3.16Å; S73-N192 VanDerWaalsContact CB-O 3.31Å; S73-N192 WeakPolarHBondContact CB-O 3.08Å; S73-N192 PolarHBondContact OG-O 3.25Å; S73-R226 PolarHBondContact O-NH2 2.97Å |
| 74 | A | 82.6 | Confident | 87.3 | Confident | 12 Ų | 12 | 34 Ų | 34 | 10% | 0.099 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -32.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | I71 E72 N76 A79 S225 | I71-A74 WeakPolarHBondContact O-CB 3.22Å; I71-A74 PolarHBondContact O-N 3.27Å; E72-A74 PolarHBondContact O-N 2.86Å; A74-N76 PolarHBondContact O-ND2 3.43Å; A74-N76 VanDerWaalsContact O-ND2 3.1Å; A74-A79 HydrophobicContact CB-CB 3.53Å; A74-S225 VanDerWaalsContact CB-OG 3.3Å; A74-S225 WeakPolarHBondContact CB-OG 3.3Å |
| 75 | G | 72 | Confident | 87.8 | Confident | 47 Ų | 47 | 31 Ų | 31 | 49% | 0.485 | 17% | 0.17 | S | C | . | . | trans | 63.2 | 34.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 76 | N | 68 | Low | 88.1 | Confident | 39 Ų | 39 | 27.6 Ų | 27.6 | 21% | 0.209 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -152.3 | 154.9 | -179.4 | 64.4 | 74.4 | 0 | 0 | 0 | 113.7 | I57 A74 M78 | I57-N76 WeakPolarHBondContact CD1-O 3.03Å; I57-N76 WeakPolarHBondContact CG1-O 3.41Å; A74-N76 PolarHBondContact O-ND2 3.43Å; A74-N76 VanDerWaalsContact O-ND2 3.1Å; N76-M78 PolarHBondContact O-N 3.02Å; N76-M78 VanDerWaalsContact O-N 3.1Å; N76-M78 PolarHBondContact OD1-O 3.47Å |
| 77 | E | 64.1 | Low | 88.3 | Confident | 167 Ų | 167 | 26.8 Ų | 26.8 | 78% | 0.78 | 14% | 0.142 | S | C | * | . | S | Bend | trans | -56.1 | -32.1 | -168 | -61.4 | -170.1 | 155.1 | 0 | 0 | 117.6 | I57 | I57-E77 PolarHBondContact N-O 2.88Š|
| 78 | M | 68.4 | Low | 88.6 | Confident | 59 Ų | 59 | 27.1 Ų | 27.1 | 29% | 0.291 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 98.6 | 175.5 | -71.7 | -71.3 | -76.9 | 0 | 0 | 109.1 | P56 N76 A80 R121 | P56-M78 WeakPolarHBondContact CA-SD 3.38Å; P56-M78 HydrophobicContact CB-SD 3.69Å; P56-M78 HydrophobicContact CG-CE 4.1Å; P56-M78 HydrophobicContact CG-SD 3.65Å; P56-M78 VanDerWaalsContact N-SD 3.41Å; N76-M78 PolarHBondContact O-N 3.02Å; N76-M78 VanDerWaalsContact O-N 3.1Å; N76-M78 PolarHBondContact OD1-O 3.47Å; M78-A80 PolarHBondContact O-N 3.49Å; M78-R121 HydrophobicContact CE-CB 3.62Å; M78-R121 HydrophobicContact CE-CG 4.46Å |
| 79 | A | 87.5 | Confident | 88.8 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 115.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | S54 R55 I57 I71 A74 F81 S225 | S54-A79 WeakPolarHBondContact CA-O 3.4Å; R55-A79 PolarHBondContact N-O 3.46Å; R55-A79 PolarHBondContact O-N 3.47Å; R55-A79 VanDerWaalsContact O-N 3.11Å; I57-A79 HydrophobicContact CD1-CB 4.2Å; I57-A79 HydrophobicContact CG1-CB 3.97Å; I71-A79 HydrophobicContact CB-CB 4.08Å; I71-A79 HydrophobicContact CG1-CB 4.03Å; I71-A79 HydrophobicContact CG2-CB 3.72Å; A74-A79 HydrophobicContact CB-CB 3.53Å; A79-F81 PolarHBondContact O-N 3.46Å; A79-S225 WeakPolarHBondContact CA-OG 3.5Å |
| 80 | A | 93.4 | Very high | 89 | Confident | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.008 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 121.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | F52 W53 S54 M78 P224 S225 | F52-A80 HydrophobicContact CD1-CB 4.17Å; W53-A80 WeakPolarHBondContact O-CA 3.38Å; S54-A80 VanDerWaalsContact OG-CA 3.23Å; S54-A80 WeakPolarHBondContact OG-CA 3.15Å; S54-A80 WeakPolarHBondContact OG-CB 3.49Å; S54-A80 PolarHBondContact OG-N 3.02Å; M78-A80 PolarHBondContact O-N 3.49Å; A80-P224 HydrophobicContact CB-CB 3.99Å; A80-S225 PolarHBondContact N-OG 3.13Å; A80-S225 PolarHBondContact O-N 2.99Å; A80-S225 PolarHBondContact O-OG 2.98Å |
| 81 | F | 93.3 | Very high | 89.3 | Confident | 21 Ų | 21 | 30.9 Ų | 30.9 | 9% | 0.092 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | -17.2 | 179.9 | 66.9 | -93.4 | 0 | 0 | 0 | 111.9 | W53 R55 Q67 V70 I71 A79 L113 | W53-F81 VanDerWaalsContact C-CE1 3.49Å; W53-F81 HydrophobicContact CB-CE1 3.87Å; W53-F81 HydrophobicContact CB-CE2 4.14Å; W53-F81 HydrophobicContact CB-CZ 3.58Å; W53-F81 WeakPolarHBondContact O-CD1 3.2Å; W53-F81 VanDerWaalsContact O-CE1 3.31Å; W53-F81 WeakPolarHBondContact O-CE1 3.31Å; W53-F81 PolarHBondContact O-N 2.74Å; R55-F81 HydrophobicContact CB-CD1 4.48Å; R55-F81 HydrophobicContact CG-CD1 4.15Å; R55-F81 HydrophobicContact CG-CE1 3.79Å; Q67-F81 HydrophobicContact CG-CB 4Å; Q67-F81 HydrophobicContact CG-CD2 3.85Å; Q67-F81 HydrophobicContact CG-CG 3.86Å; Q67-F81 VanDerWaalsContact NE2-CD1 3.33Å; Q67-F81 VanDerWaalsContact NE2-CE1 3.29Å; Q67-F81 VanDerWaalsContact NE2-CG 3.29Å; V70-F81 HydrophobicContact CG1-CB 4.28Å; I71-F81 HydrophobicContact CD1-CB 4.33Å; I71-F81 HydrophobicContact CG1-CB 3.9Å; A79-F81 PolarHBondContact O-N 3.46Å; F81-L113 HydrophobicContact CE2-CD2 4.2Å; F81-L113 HydrophobicContact CZ-CD1 4.03Å; F81-L113 HydrophobicContact CZ-CD2 4.06Å |
| 82 | Q | 95.7 | Very high | 89.6 | Confident | 12 Ų | 12 | 30.9 Ų | 30.9 | 6% | 0.056 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 150.9 | 179.2 | 179 | 69.2 | -44.5 | 0 | 0 | 111.1 | W53 H94 S95 S169 | W53-Q82 HydrophobicContact CB-CB 4.06Å; W53-Q82 HydrophobicContact CG-CB 4.2Å; W53-Q82 HydrophobicContact CG-CG 4.32Å; W53-Q82 PolarHBondContact N-O 3.23Å; W53-Q82 PolarHBondContact O-N 3.22Å; Q82-H94 PolarHBondContact NE2-ND1 2.98Å; Q82-S95 PolarHBondContact NE2-O 3.08Å; Q82-S169 PolarHBondContact OE1-OG 3.27Å |
| 83 | V | 97.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 145.9 | 168.2 | 62.6 | 0 | 0 | 0 | 0 | 109.5 | L50 I51 F52 S169 C170 V173 L227 | L50-V83 HydrophobicContact CB-CG2 4.26Å; L50-V83 HydrophobicContact CD1-CG2 4.36Å; I51-V83 CarbonylContact O-C 3.5Å; I51-V83 WeakPolarHBondContact O-CA 3.29Å; F52-V83 HydrophobicContact CD1-CB 3.91Å; F52-V83 HydrophobicContact CD1-CG2 3.89Å; F52-V83 HydrophobicContact CD2-CG2 4.21Å; F52-V83 HydrophobicContact CE1-CB 3.82Å; F52-V83 HydrophobicContact CE1-CG2 3.6Å; F52-V83 HydrophobicContact CE2-CG2 3.94Å; F52-V83 HydrophobicContact CG-CG2 4.2Å; F52-V83 HydrophobicContact CZ-CB 4.36Å; F52-V83 HydrophobicContact CZ-CG2 3.62Å; V83-S169 WeakPolarHBondContact O-CB 3.49Å; V83-C170 HydrophobicContact CG1-CB 4.01Å; V83-V173 HydrophobicContact CG1-CG2 3.9Å; V83-V173 HydrophobicContact CG2-CG2 4.06Å; V83-L227 HydrophobicContact CG1-CD2 4.12Å; V83-L227 HydrophobicContact CG2-CD2 4.33Å |
| 84 | S | 98.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.007 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 149.6 | 178.7 | -46.1 | 0 | 0 | 0 | 0 | 110.2 | L50 I51 W53 V93 H94 | L50-S84 WeakPolarHBondContact CA-O 3.35Å; I51-S84 PolarHBondContact N-O 2.85Å; I51-S84 PolarHBondContact O-N 2.89Å; W53-S84 PolarHBondContact NE1-OG 3.12Å; S84-V93 WeakPolarHBondContact CA-O 3.45Å; S84-H94 WeakPolarHBondContact OG-CB 3.49Å |
| 85 | V | 98.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 129.2 | 170.3 | -177.6 | 0 | 0 | 0 | 0 | 108.4 | L50 I92 V93 A139 A142 V173 | L50-V85 HydrophobicContact CD2-CG2 4.03Å; V85-I92 WeakPolarHBondContact O-CA 3.48Å; V85-V93 HydrophobicContact CB-CG1 3.71Å; V85-V93 HydrophobicContact CG1-CG1 4.41Å; V85-V93 HydrophobicContact CG2-CG1 4.44Å; V85-V93 PolarHBondContact N-O 2.67Å; V85-V93 PolarHBondContact O-N 2.97Å; V85-A139 HydrophobicContact CG1-CB 4.05Å; V85-A142 HydrophobicContact CG2-CB 4.45Å; V85-V173 HydrophobicContact CG2-CG2 3.82Å |
| 86 | L | 98.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 126.2 | 178.7 | -165.5 | 67.2 | 0 | 0 | 0 | 109.9 | L45 R47 G48 D49 I51 S88 I92 M106 Y258 | L45-L86 HydrophobicContact CB-CD2 3.93Å; L45-L86 HydrophobicContact CD1-CD2 4.38Å; R47-L86 CarbonylContact C-O 3.58Å; R47-L86 WeakPolarHBondContact CA-O 3.16Å; G48-L86 PolarHBondContact N-O 3.35Å; D49-L86 WeakPolarHBondContact O-CB 3.35Å; D49-L86 PolarHBondContact O-N 2.77Å; I51-L86 HydrophobicContact CD1-CD1 4.23Å; I51-L86 HydrophobicContact CG1-CD1 3.98Å; L86-S88 WeakPolarHBondContact CD1-O 3.24Å; L86-S88 WeakPolarHBondContact CG-O 3.48Å; L86-I92 HydrophobicContact CD1-CG2 4.21Å; L86-M106 HydrophobicContact CD1-CE 3.64Å; L86-Y258 HydrophobicContact CD2-CD2 3.65Å; L86-Y258 HydrophobicContact CD2-CE2 3.86Å; L86-Y258 HydrophobicContact CG-CD2 4.34Å; L86-Y258 HydrophobicContact CG-CE2 4.16Å |
| 87 | L | 98.6 | Very high | 93.6 | Very high | 8 Ų | 8 | 26.7 Ų | 26.7 | 4% | 0.042 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | -32.4 | 177 | -56.2 | -176.8 | 0 | 0 | 0 | 112.2 | R47 R91 V93 I103 A139 E143 Y258 | R47-L87 PolarHBondContact NH1-O 3.23Å; L87-R91 HydrophobicContact CB-CB 4.08Å; L87-R91 WeakPolarHBondContact CB-O 3.36Å; L87-R91 HydrophobicContact CD1-CB 4.47Å; L87-R91 PolarHBondContact N-O 3.05Å; L87-V93 HydrophobicContact CD1-CB 4.04Å; L87-V93 HydrophobicContact CD1-CG1 4.4Å; L87-V93 HydrophobicContact CD2-CB 4.26Å; L87-V93 HydrophobicContact CD2-CG1 3.67Å; L87-V93 HydrophobicContact CG-CB 4.31Å; L87-V93 HydrophobicContact CG-CG1 4.19Å; L87-I103 HydrophobicContact CD1-CD1 3.78Å; L87-I103 HydrophobicContact CD1-CG1 3.85Å; L87-I103 HydrophobicContact CD1-CG2 4.03Å; L87-A139 HydrophobicContact CD2-CB 4.09Å; L87-E143 VanDerWaalsContact CD1-CD 3.44Å; L87-E143 HydrophobicContact CD1-CG 3.61Å; L87-E143 VanDerWaalsContact CD1-OE1 3.31Å; L87-E143 WeakPolarHBondContact CD1-OE1 3.43Å; L87-E143 HydrophobicContact CD2-CG 3.61Å; L87-E143 WeakPolarHBondContact CD2-OE1 3.13Å; L87-E143 HydrophobicContact CG-CG 4.21Å; L87-Y258 PolarHBondContact O-OH 3.44Å |
| 88 | S | 97.6 | Very high | 95 | Very high | 28 Ų | 28 | 23.9 Ų | 23.9 | 20% | 0.196 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 172.8 | 173.1 | 60.1 | 0 | 0 | 0 | 0 | 108.2 | L86 H90 R91 Y258 | L86-S88 WeakPolarHBondContact CD1-O 3.24Å; L86-S88 WeakPolarHBondContact CG-O 3.48Å; S88-H90 PolarHBondContact O-N 2.96Å; S88-H90 PolarHBondContact OG-N 2.77Å; S88-R91 PolarHBondContact N-O 2.61Å; S88-R91 PolarHBondContact O-N 2.67Å; S88-R91 VanDerWaalsContact O-O 3.12Å; S88-R91 WeakPolarHBondContact OG-CB 3.47Å; S88-R91 PolarHBondContact OG-N 3.11Å; S88-R91 VanDerWaalsContact OG-N 3.12Å; S88-Y258 VanDerWaalsContact CA-CZ 3.45Å |
| 89 | S | 95.4 | Very high | 96.3 | Very high | 14 Ų | 14 | 26 Ų | 26 | 10% | 0.098 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -25.5 | 171.5 | 45.3 | 0 | 0 | 0 | 0 | 113.6 | ||
| 90 | H | 97.1 | Very high | 96.8 | Very high | 70 Ų | 70 | 26.1 Ų | 26.1 | 32% | 0.324 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | -7.7 | -177.7 | -55.3 | 94.8 | 0 | 0 | 0 | 115.3 | S88 Q105 M106 E255 | S88-H90 PolarHBondContact O-N 2.96Å; S88-H90 PolarHBondContact OG-N 2.77Å; H90-Q105 CarbonylContact O-C 3.07Å; H90-Q105 WeakPolarHBondContact O-CA 3.25Å; H90-Q105 PolarHBondContact O-OE1 3.15Å; H90-M106 PolarHBondContact O-N 3.11Å; H90-E255 IonicContact CD2-OE1 3.37Å; H90-E255 IonicContact CE1-OE1 3.64Å; H90-E255 PolarHBondContact CE1-OE1 3.23Å; H90-E255 VanDerWaalsContact CE1-OE1 3.23Å; H90-E255 IonicContact NE2-OE1 3.05Å; H90-E255 PolarHBondContact NE2-OE1 2.79Å |
| 91 | R | 98.4 | Very high | 97 | Very high | 91 Ų | 91 | 26.1 Ų | 26.1 | 34% | 0.343 | 15% | 0.145 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 138.1 | -172.3 | -65 | 175.2 | 63.2 | -150.3 | -1.9 | 111.8 | L87 S88 I103 D104 | L87-R91 HydrophobicContact CB-CB 4.08Å; L87-R91 WeakPolarHBondContact CB-O 3.36Å; L87-R91 HydrophobicContact CD1-CB 4.47Å; L87-R91 PolarHBondContact N-O 3.05Å; S88-R91 PolarHBondContact N-O 2.61Å; S88-R91 PolarHBondContact O-N 2.67Å; S88-R91 VanDerWaalsContact O-O 3.12Å; S88-R91 WeakPolarHBondContact OG-CB 3.47Å; S88-R91 PolarHBondContact OG-N 3.11Å; S88-R91 VanDerWaalsContact OG-N 3.12Å; R91-I103 HydrophobicContact CB-CG2 4.47Å; R91-D104 WeakPolarHBondContact CA-O 3.38Å |
| 92 | I | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 146.1 | 176.9 | 59.9 | -178 | 0 | 0 | 0 | 110.2 | I51 W53 V85 L86 I103 D104 M106 Y109 | I51-I92 HydrophobicContact CG1-CG2 4.45Å; W53-I92 HydrophobicContact CH2-CD1 4.48Å; W53-I92 HydrophobicContact CZ2-CD1 3.65Å; V85-I92 WeakPolarHBondContact O-CA 3.48Å; L86-I92 HydrophobicContact CD1-CG2 4.21Å; I92-I103 VanDerWaalsContact O-CA 3.26Å; I92-I103 WeakPolarHBondContact O-CA 3.5Å; I92-I103 WeakPolarHBondContact O-CG2 3.49Å; I92-D104 HydrophobicContact CD1-CB 4.42Å; I92-D104 HydrophobicContact CG1-CB 4.08Å; I92-D104 PolarHBondContact N-O 2.94Å; I92-D104 VanDerWaalsContact N-O 3.08Å; I92-D104 PolarHBondContact O-N 2.88Å; I92-M106 HydrophobicContact CD1-SD 4.44Å; I92-M106 HydrophobicContact CG2-CE 3.39Å; I92-M106 HydrophobicContact CG2-SD 3.9Å; I92-Y109 HydrophobicContact CD1-CD1 3.83Å; I92-Y109 HydrophobicContact CD1-CG 4.11Å |
| 93 | V | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 136.3 | 162.1 | 63.5 | 0 | 0 | 0 | 0 | 109 | S84 V85 L87 V101 T102 I103 A142 V146 L172 | S84-V93 WeakPolarHBondContact CA-O 3.45Å; V85-V93 HydrophobicContact CB-CG1 3.71Å; V85-V93 HydrophobicContact CG1-CG1 4.41Å; V85-V93 HydrophobicContact CG2-CG1 4.44Å; V85-V93 PolarHBondContact N-O 2.67Å; V85-V93 PolarHBondContact O-N 2.97Å; L87-V93 HydrophobicContact CD1-CB 4.04Å; L87-V93 HydrophobicContact CD1-CG1 4.4Å; L87-V93 HydrophobicContact CD2-CB 4.26Å; L87-V93 HydrophobicContact CD2-CG1 3.67Å; L87-V93 HydrophobicContact CG-CB 4.31Å; L87-V93 HydrophobicContact CG-CG1 4.19Å; V93-V101 HydrophobicContact CG2-CG1 3.86Å; V93-T102 WeakPolarHBondContact CA-O 3.45Å; V93-T102 WeakPolarHBondContact CG2-O 3.2Å; V93-I103 HydrophobicContact CB-CG1 4.01Å; V93-I103 HydrophobicContact CG2-CG1 4.11Å; V93-A142 HydrophobicContact CG1-CB 3.68Å; V93-V146 HydrophobicContact CG2-CG2 4.13Å; V93-L172 HydrophobicContact CG2-CD2 4.42Å |
| 94 | H | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 171.1 | -177.7 | 69.2 | 131.4 | 0 | 0 | 0 | 110.3 | Q82 S84 V101 T102 D104 Y109 | Q82-H94 PolarHBondContact NE2-ND1 2.98Å; S84-H94 WeakPolarHBondContact OG-CB 3.49Å; H94-V101 CarbonylContact O-C 3.53Å; H94-V101 WeakPolarHBondContact O-CA 3.39Å; H94-T102 PolarHBondContact N-O 3.31Å; H94-T102 PolarHBondContact O-N 3.3Å; H94-D104 IonicContact CD2-OD2 3.97Å; H94-D104 IonicContact CE1-OD2 2.86Å; H94-D104 PolarHBondContact CE1-OD2 2.92Å; H94-D104 IonicContact NE2-OD2 3.64Å; H94-D104 PolarHBondContact NE2-OD2 3.5Å; H94-Y109 AromaticContact CE1-CD2 3.72Å; H94-Y109 AromaticContact CE1-CE2 3.27Å; H94-Y109 WeakPolarHBondContact CE1-CE2 3.43Å; H94-Y109 AromaticContact CE1-CZ 3.58Å; H94-Y109 AromaticContact ND1-CZ 3.89Å |
| 95 | S | 98.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.007 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 134.7 | 174.1 | -174 | 0 | 0 | 0 | 0 | 111.1 | Q82 G100 Y150 Y167 | Q82-S95 PolarHBondContact NE2-O 3.08Å; S95-G100 CarbonylContact C-O 3.6Å; S95-G100 VanDerWaalsContact CA-O 3.25Å; S95-G100 WeakPolarHBondContact CA-O 3.33Å; S95-G100 PolarHBondContact OG-O 2.9Å; S95-Y150 WeakPolarHBondContact OG-CD2 3.26Å; S95-Y167 WeakPolarHBondContact CB-O 3.36Å; S95-Y167 PolarHBondContact OG-O 2.61Å |
| 96 | N | 94.8 | Very high | 97.3 | Very high | 19 Ų | 19 | 33.4 Ų | 33.4 | 10% | 0.102 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 156.1 | 178.5 | 83.4 | 68.4 | 0 | 0 | 0 | 112 | S98 D99 G100 Y150 | N96-S98 VanDerWaalsContact C-N 3.25Å; N96-S98 PolarHBondContact O-N 3.17Å; N96-S98 WeakPolarHBondContact OD1-CA 3.38Å; N96-S98 WeakPolarHBondContact OD1-CB 3.33Å; N96-S98 PolarHBondContact OD1-N 3.1Å; N96-D99 PolarHBondContact ND2-OD2 3.06Å; N96-D99 PolarHBondContact O-N 3.05Å; N96-D99 PolarHBondContact OD1-N 2.88Å; N96-D99 PolarHBondContact OD1-OD2 2.85Å; N96-G100 PolarHBondContact N-O 3.25Å; N96-G100 WeakPolarHBondContact O-CA 3.48Å; N96-G100 PolarHBondContact O-N 2.87Å; N96-Y150 WeakPolarHBondContact O-CD2 3.24Å |
| 97 | P | 94.3 | Very high | 97.2 | Very high | 67 Ų | 67 | 37.1 Ų | 37.1 | 44% | 0.435 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -28.3 | -175.8 | -27.9 | 36.1 | 0 | 0 | 0 | 116.2 | F66 Y150 | F66-P97 HydrophobicContact CD1-CG 3.72Å; F66-P97 HydrophobicContact CD2-CG 4.42Å; F66-P97 HydrophobicContact CE1-CG 3.55Å; F66-P97 HydrophobicContact CE2-CG 4.28Å; F66-P97 HydrophobicContact CG-CG 4.17Å; F66-P97 HydrophobicContact CZ-CG 3.88Å; P97-Y150 HydrophobicContact CB-CD1 4.3Å; P97-Y150 HydrophobicContact CB-CE1 4.41Å; P97-Y150 HydrophobicContact CB-CG 4.44Å; P97-Y150 HydrophobicContact CG-CD1 4.45Å; P97-Y150 HydrophobicContact CG-CD2 4.49Å; P97-Y150 HydrophobicContact CG-CE1 4.12Å; P97-Y150 HydrophobicContact CG-CE2 4.14Å |
| 98 | S | 92.9 | Very high | 97 | Very high | 107 Ų | 107 | 40.5 Ų | 40.5 | 75% | 0.748 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -43.7 | -176.1 | -56.4 | 0 | 0 | 0 | 0 | 112.3 | N96 | N96-S98 VanDerWaalsContact C-N 3.25Å; N96-S98 PolarHBondContact O-N 3.17Å; N96-S98 WeakPolarHBondContact OD1-CA 3.38Å; N96-S98 WeakPolarHBondContact OD1-CB 3.33Å; N96-S98 PolarHBondContact OD1-N 3.1Å |
| 99 | D | 94.9 | Very high | 96.9 | Very high | 104 Ų | 104 | 40.2 Ų | 40.2 | 56% | 0.556 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -112.7 | -7.2 | -168.8 | -48.2 | -54.3 | 0 | 0 | 0 | 113.8 | N96 T102 | N96-D99 PolarHBondContact ND2-OD2 3.06Å; N96-D99 PolarHBondContact O-N 3.05Å; N96-D99 PolarHBondContact OD1-N 2.88Å; N96-D99 PolarHBondContact OD1-OD2 2.85Å; D99-T102 HydrophobicContact CB-CG2 4.5Å |
| 100 | G | 98.2 | Very high | 96.9 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 65.5 | -140.1 | -167.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | S95 N96 A148 | S95-G100 CarbonylContact C-O 3.6Å; S95-G100 VanDerWaalsContact CA-O 3.25Å; S95-G100 WeakPolarHBondContact CA-O 3.33Å; S95-G100 PolarHBondContact OG-O 2.9Å; N96-G100 PolarHBondContact N-O 3.25Å; N96-G100 WeakPolarHBondContact O-CA 3.48Å; N96-G100 PolarHBondContact O-N 2.87Å; G100-A148 WeakPolarHBondContact CA-O 3.23Å |
| 101 | V | 98.8 | Very high | 96.8 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.012 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 121.5 | -179.6 | -174.8 | 0 | 0 | 0 | 0 | 110.4 | V93 H94 K145 V146 G147 A148 Y167 L172 | V93-V101 HydrophobicContact CG2-CG1 3.86Å; H94-V101 CarbonylContact O-C 3.53Å; H94-V101 WeakPolarHBondContact O-CA 3.39Å; V101-K145 VanDerWaalsContact CB-O 3.25Å; V101-K145 WeakPolarHBondContact CB-O 3.47Å; V101-K145 HydrophobicContact CG1-CB 4.11Å; V101-K145 HydrophobicContact CG2-CB 4.33Å; V101-V146 HydrophobicContact CG1-CG2 4.31Å; V101-V146 WeakPolarHBondContact O-CA 3.5Å; V101-G147 PolarHBondContact O-N 2.92Å; V101-A148 HydrophobicContact CB-CB 4.5Å; V101-A148 HydrophobicContact CG2-CB 4.04Å; V101-A148 PolarHBondContact N-O 3.42Å; V101-Y167 HydrophobicContact CG2-CD2 4.01Å; V101-Y167 HydrophobicContact CG2-CG 4.44Å; V101-L172 HydrophobicContact CG1-CD1 4.32Å; V101-L172 HydrophobicContact CG1-CD2 3.98Å; V101-L172 HydrophobicContact CG2-CD1 4.14Å; V101-L172 HydrophobicContact CG2-CD2 4.45Å |
| 102 | T | 98.5 | Very high | 96.4 | Very high | 33 Ų | 33 | 39.7 Ų | 39.7 | 20% | 0.202 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 162.5 | -178 | -170.9 | 0 | 0 | 0 | 0 | 112 | V93 H94 D99 | V93-T102 WeakPolarHBondContact CA-O 3.45Å; V93-T102 WeakPolarHBondContact CG2-O 3.2Å; H94-T102 PolarHBondContact N-O 3.31Å; H94-T102 PolarHBondContact O-N 3.3Å; D99-T102 HydrophobicContact CB-CG2 4.5Å |
| 103 | I | 98.6 | Very high | 96.1 | Very high | 45 Ų | 45 | 40.3 Ų | 40.3 | 23% | 0.231 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 127.5 | 168.6 | -65.9 | 169.8 | 0 | 0 | 0 | 109 | L87 R91 I92 V93 E143 V146 | L87-I103 HydrophobicContact CD1-CD1 3.78Å; L87-I103 HydrophobicContact CD1-CG1 3.85Å; L87-I103 HydrophobicContact CD1-CG2 4.03Å; R91-I103 HydrophobicContact CB-CG2 4.47Å; I92-I103 VanDerWaalsContact O-CA 3.26Å; I92-I103 WeakPolarHBondContact O-CA 3.5Å; I92-I103 WeakPolarHBondContact O-CG2 3.49Å; V93-I103 HydrophobicContact CB-CG1 4.01Å; V93-I103 HydrophobicContact CG2-CG1 4.11Å; I103-E143 HydrophobicContact CD1-CG 3.95Å; I103-V146 HydrophobicContact CD1-CG2 3.88Å; I103-V146 HydrophobicContact CG1-CG2 3.71Å |
| 104 | D | 98.1 | Very high | 95.6 | Very high | 22 Ų | 22 | 41.1 Ų | 41.1 | 12% | 0.118 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 153.6 | 175.9 | -89.3 | -53.7 | 0 | 0 | 0 | 111.6 | R91 I92 H94 R112 | R91-D104 WeakPolarHBondContact CA-O 3.38Å; I92-D104 HydrophobicContact CD1-CB 4.42Å; I92-D104 HydrophobicContact CG1-CB 4.08Å; I92-D104 PolarHBondContact N-O 2.94Å; I92-D104 VanDerWaalsContact N-O 3.08Å; I92-D104 PolarHBondContact O-N 2.88Å; H94-D104 IonicContact CD2-OD2 3.97Å; H94-D104 IonicContact CE1-OD2 2.86Å; H94-D104 PolarHBondContact CE1-OD2 2.92Å; H94-D104 IonicContact NE2-OD2 3.64Å; H94-D104 PolarHBondContact NE2-OD2 3.5Å; D104-R112 IonicContact OD1-CZ 2.65Å; D104-R112 IonicContact OD1-NH1 3.23Å; D104-R112 IonicContact OD1-NH2 2.74Å; D104-R112 PolarHBondContact OD1-NH2 3.3Å; D104-R112 IonicContact OD2-NH2 3.61Å; D104-R112 PolarHBondContact OD2-NH2 2.92Å |
| 105 | Q | 97.9 | Very high | 95.1 | Very high | 88 Ų | 88 | 47.3 Ų | 47.3 | 41% | 0.411 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 129.4 | 160.2 | -63 | -65 | -32.6 | 0 | 0 | 108.5 | H90 E107 N108 Y109 | H90-Q105 CarbonylContact O-C 3.07Å; H90-Q105 WeakPolarHBondContact O-CA 3.25Å; H90-Q105 PolarHBondContact O-OE1 3.15Å; Q105-E107 VanDerWaalsContact C-N 3.28Å; Q105-E107 PolarHBondContact O-N 3.48Å; Q105-N108 HydrophobicContact CB-CB 4.08Å; Q105-N108 PolarHBondContact O-N 3.01Å; Q105-N108 VanDerWaalsContact O-N 3.12Å; Q105-Y109 PolarHBondContact O-N 2.87Å |
| 106 | M | 95.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -50.5 | -50.2 | -177.8 | -176.4 | 72.5 | 79.6 | 0 | 0 | 111.3 | I51 W53 L86 H90 I92 Y109 A110 M250 I251 L254 | I51-M106 HydrophobicContact CD1-CE 4.22Å; I51-M106 HydrophobicContact CG1-CE 3.76Å; W53-M106 HydrophobicContact CH2-SD 3.43Å; W53-M106 WeakPolarHBondContact CH2-SD 3.33Å; W53-M106 HydrophobicContact CZ2-SD 3.63Å; L86-M106 HydrophobicContact CD1-CE 3.64Å; H90-M106 PolarHBondContact O-N 3.11Å; I92-M106 HydrophobicContact CD1-SD 4.44Å; I92-M106 HydrophobicContact CG2-CE 3.39Å; I92-M106 HydrophobicContact CG2-SD 3.9Å; M106-Y109 PolarHBondContact O-N 2.91Å; M106-A110 WeakPolarHBondContact O-CB 3.48Å; M106-A110 PolarHBondContact O-N 2.84Å; M106-M250 HydrophobicContact CG-CE 4.34Å; M106-I251 HydrophobicContact CB-CD1 4.07Å; M106-I251 HydrophobicContact CG-CD1 3.67Å; M106-L254 HydrophobicContact CE-CD1 3.45Å; M106-L254 VanDerWaalsContact CE-CD1 3.45Å; M106-L254 HydrophobicContact CE-CD2 4.28Å; M106-L254 HydrophobicContact CG-CD1 3.61Å; M106-L254 HydrophobicContact SD-CD1 4.01Å |
| 107 | E | 96.3 | Very high | 93.2 | Very high | 77 Ų | 77 | 51.2 Ų | 51.2 | 36% | 0.36 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63 | -44.9 | -178.6 | -167 | -169.2 | 162.3 | 0 | 0 | 111.7 | Q105 Y109 A110 K111 L247 I251 | Q105-E107 VanDerWaalsContact C-N 3.28Å; Q105-E107 PolarHBondContact O-N 3.48Å; E107-Y109 PolarHBondContact O-N 2.98Å; E107-A110 PolarHBondContact O-N 2.81Å; E107-K111 HydrophobicContact CG-CD 4.25Å; E107-K111 WeakPolarHBondContact O-CB 3.39Å; E107-K111 VanDerWaalsContact O-CG 3.29Å; E107-K111 WeakPolarHBondContact O-CG 3.12Å; E107-K111 PolarHBondContact O-N 2.82Å; E107-K111 VanDerWaalsContact OE1-CE 3.25Å; E107-K111 WeakPolarHBondContact OE1-CE 3.47Å; E107-K111 IonicContact OE1-NZ 2.59Å; E107-K111 PolarHBondContact OE1-NZ 2.75Å; E107-L247 HydrophobicContact CG-CD2 3.91Å; E107-L247 HydrophobicContact CG-CG 4.35Å; E107-I251 HydrophobicContact CB-CD1 4.18Å |
| 108 | N | 96.1 | Very high | 92.5 | Very high | 80 Ų | 80 | 56.7 Ų | 56.7 | 43% | 0.428 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.4 | -39.1 | 179.3 | -70 | -20.5 | 0 | 0 | 0 | 111.8 | Q105 R112 | Q105-N108 HydrophobicContact CB-CB 4.08Å; Q105-N108 PolarHBondContact O-N 3.01Å; Q105-N108 VanDerWaalsContact O-N 3.12Å; N108-R112 WeakPolarHBondContact O-CG 3.49Å; N108-R112 PolarHBondContact O-N 3.18Å; N108-R112 VanDerWaalsContact O-N 3.11Å |
| 109 | Y | 95.4 | Very high | 92.4 | Very high | 21 Ų | 21 | 54.5 Ų | 54.5 | 8% | 0.082 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.6 | -47.6 | 176.7 | -172.6 | -111.6 | 0 | 0 | 0 | 111.2 | W53 I92 H94 Q105 M106 E107 K111 R112 L113 | W53-Y109 HydrophobicContact CD2-CD1 4.08Å; W53-Y109 AromaticContact CD2-CE1 3.75Å; W53-Y109 HydrophobicContact CD2-CE1 3.75Å; W53-Y109 AromaticContact CE2-CD1 3.7Å; W53-Y109 AromaticContact CE2-CE1 3.58Å; W53-Y109 HydrophobicContact CE3-CD1 4.23Å; W53-Y109 HydrophobicContact CE3-CE1 4.2Å; W53-Y109 HydrophobicContact CG-CE1 4.16Å; W53-Y109 AromaticContact CH2-CD1 3.68Å; W53-Y109 HydrophobicContact CH2-CD1 3.68Å; W53-Y109 HydrophobicContact CH2-CE1 4.35Å; W53-Y109 AromaticContact CZ2-CD1 3.52Å; W53-Y109 HydrophobicContact CZ2-CD1 3.52Å; W53-Y109 AromaticContact CZ2-CE1 3.93Å; W53-Y109 HydrophobicContact CZ2-CE1 3.93Å; W53-Y109 HydrophobicContact CZ3-CD1 4.03Å; W53-Y109 HydrophobicContact CZ3-CE1 4.47Å; W53-Y109 AromaticContact NE1-CE1 3.83Å; I92-Y109 HydrophobicContact CD1-CD1 3.83Å; I92-Y109 HydrophobicContact CD1-CG 4.11Å; H94-Y109 AromaticContact CE1-CD2 3.72Å; H94-Y109 AromaticContact CE1-CE2 3.27Å; H94-Y109 WeakPolarHBondContact CE1-CE2 3.43Å; H94-Y109 AromaticContact CE1-CZ 3.58Å; H94-Y109 AromaticContact ND1-CZ 3.89Å; Q105-Y109 PolarHBondContact O-N 2.87Å; M106-Y109 PolarHBondContact O-N 2.91Å; E107-Y109 PolarHBondContact O-N 2.98Å; Y109-K111 PolarHBondContact O-N 2.97Å; Y109-R112 PolarHBondContact O-N 3.42Å; Y109-L113 HydrophobicContact CD1-CD1 3.91Å; Y109-L113 HydrophobicContact CE1-CD1 3.48Å; Y109-L113 VanDerWaalsContact CE1-CD1 3.48Å; Y109-L113 HydrophobicContact CE1-CG 4.21Å; Y109-L113 WeakPolarHBondContact O-CG 3.46Å; Y109-L113 PolarHBondContact O-N 3.03Å; Y109-L113 VanDerWaalsContact O-N 3.1Å |
| 110 | A | 94.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.6 | -43 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | W53 M106 E107 R112 L113 I114 L247 M250 | W53-A110 HydrophobicContact CH2-CB 4.39Å; W53-A110 HydrophobicContact CZ3-CB 4Å; M106-A110 WeakPolarHBondContact O-CB 3.48Å; M106-A110 PolarHBondContact O-N 2.84Å; E107-A110 PolarHBondContact O-N 2.81Å; A110-R112 VanDerWaalsContact C-N 3.34Å; A110-R112 PolarHBondContact O-N 3.37Å; A110-L113 PolarHBondContact O-N 3.49Å; A110-L113 VanDerWaalsContact O-N 3.14Å; A110-I114 WeakPolarHBondContact O-CG1 3.26Å; A110-I114 PolarHBondContact O-N 2.97Å; A110-L247 HydrophobicContact CB-CD1 3.52Å; A110-L247 HydrophobicContact CB-CD2 4.43Å; A110-M250 HydrophobicContact CB-CE 4.12Å |
| 111 | K | 94 | Very high | 92.1 | Very high | 64 Ų | 64 | 52.9 Ų | 52.9 | 28% | 0.278 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -55.5 | -44.2 | 174.2 | -82.2 | 173.6 | 172.8 | 171.4 | 0 | 112.5 | E107 Y109 I114 N115 I244 L247 | E107-K111 HydrophobicContact CG-CD 4.25Å; E107-K111 WeakPolarHBondContact O-CB 3.39Å; E107-K111 VanDerWaalsContact O-CG 3.29Å; E107-K111 WeakPolarHBondContact O-CG 3.12Å; E107-K111 PolarHBondContact O-N 2.82Å; E107-K111 VanDerWaalsContact OE1-CE 3.25Å; E107-K111 WeakPolarHBondContact OE1-CE 3.47Å; E107-K111 IonicContact OE1-NZ 2.59Å; E107-K111 PolarHBondContact OE1-NZ 2.75Å; Y109-K111 PolarHBondContact O-N 2.97Å; K111-I114 VanDerWaalsContact O-CG1 3.25Å; K111-I114 WeakPolarHBondContact O-CG1 3.39Å; K111-N115 WeakPolarHBondContact O-CB 3.4Å; K111-N115 PolarHBondContact O-N 2.9Å; K111-N115 PolarHBondContact O-ND2 2.86Å; K111-I244 HydrophobicContact CG-CD1 4.29Å; K111-L247 HydrophobicContact CD-CD2 4.26Å; K111-L247 HydrophobicContact CG-CD2 3.5Å; K111-L247 VanDerWaalsContact CG-CD2 3.5Å |
| 112 | R | 91.8 | Very high | 92 | Very high | 101 Ų | 101 | 52.8 Ų | 52.8 | 38% | 0.381 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.4 | -47.7 | 175.4 | -70 | -169.9 | -58.9 | -98 | 20.5 | 111 | D104 N108 Y109 A110 I114 N115 D116 | D104-R112 IonicContact OD1-CZ 2.65Å; D104-R112 IonicContact OD1-NH1 3.23Å; D104-R112 IonicContact OD1-NH2 2.74Å; D104-R112 PolarHBondContact OD1-NH2 3.3Å; D104-R112 IonicContact OD2-NH2 3.61Å; D104-R112 PolarHBondContact OD2-NH2 2.92Å; N108-R112 WeakPolarHBondContact O-CG 3.49Å; N108-R112 PolarHBondContact O-N 3.18Å; N108-R112 VanDerWaalsContact O-N 3.11Å; Y109-R112 PolarHBondContact O-N 3.42Å; A110-R112 VanDerWaalsContact C-N 3.34Å; A110-R112 PolarHBondContact O-N 3.37Å; R112-I114 PolarHBondContact O-N 3.48Å; R112-N115 PolarHBondContact O-N 3.05Å; R112-D116 VanDerWaalsContact O-CG 3.29Å; R112-D116 PolarHBondContact O-N 2.92Å |
| 113 | L | 90.7 | Very high | 91.9 | Very high | 12 Ų | 12 | 51.4 Ų | 51.4 | 6% | 0.063 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.7 | -36.4 | -179 | -68.2 | 178.8 | 0 | 0 | 0 | 113.8 | W53 R55 F81 Y109 A110 S117 I120 | W53-L113 HydrophobicContact CB-CD1 4.43Å; W53-L113 HydrophobicContact CD2-CD1 4.01Å; W53-L113 HydrophobicContact CE3-CD1 3.56Å; W53-L113 HydrophobicContact CG-CD1 4.38Å; W53-L113 HydrophobicContact CZ3-CD1 4.15Å; R55-L113 PolarHBondContact NH2-O 2.86Å; R55-L113 VanDerWaalsContact NH2-O 3.16Å; F81-L113 HydrophobicContact CE2-CD2 4.2Å; F81-L113 HydrophobicContact CZ-CD1 4.03Å; F81-L113 HydrophobicContact CZ-CD2 4.06Å; Y109-L113 HydrophobicContact CD1-CD1 3.91Å; Y109-L113 HydrophobicContact CE1-CD1 3.48Å; Y109-L113 VanDerWaalsContact CE1-CD1 3.48Å; Y109-L113 HydrophobicContact CE1-CG 4.21Å; Y109-L113 WeakPolarHBondContact O-CG 3.46Å; Y109-L113 PolarHBondContact O-N 3.03Å; Y109-L113 VanDerWaalsContact O-N 3.1Å; A110-L113 PolarHBondContact O-N 3.49Å; A110-L113 VanDerWaalsContact O-N 3.14Å; L113-S117 PolarHBondContact O-N 2.91Å; L113-S117 PolarHBondContact O-OG 3.19Å; L113-I120 HydrophobicContact CB-CD1 3.94Å; L113-I120 HydrophobicContact CB-CG2 4.12Å; L113-I120 HydrophobicContact CD1-CD1 4.25Å |
| 114 | I | 89.9 | Confident | 91.9 | Very high | 17 Ų | 17 | 49.3 Ų | 49.3 | 9% | 0.087 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -76.8 | -30 | 176.5 | 64.8 | 177.8 | 0 | 0 | 0 | 113.1 | A110 K111 R112 D116 S117 I120 V241 I244 | A110-I114 WeakPolarHBondContact O-CG1 3.26Å; A110-I114 PolarHBondContact O-N 2.97Å; K111-I114 VanDerWaalsContact O-CG1 3.25Å; K111-I114 WeakPolarHBondContact O-CG1 3.39Å; R112-I114 PolarHBondContact O-N 3.48Å; I114-D116 VanDerWaalsContact C-N 3.29Å; I114-S117 CarbonylContact C-O 3.27Å; I114-S117 VanDerWaalsContact C-O 3.25Å; I114-S117 WeakPolarHBondContact CA-O 3.25Å; I114-S117 CarbonylContact O-C 3.48Å; I114-S117 VanDerWaalsContact O-C 3.27Å; I114-S117 PolarHBondContact O-N 2.77Å; I114-I120 HydrophobicContact CG2-CD1 3.85Å; I114-I120 HydrophobicContact CG2-CG1 3.94Å; I114-V241 HydrophobicContact CG2-CB 4.41Å; I114-V241 HydrophobicContact CG2-CG1 3.87Å; I114-I244 HydrophobicContact CD1-CD1 4.15Å |
| 115 | N | 87.3 | Confident | 91.9 | Very high | 132 Ų | 132 | 48.7 Ų | 48.7 | 71% | 0.706 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -68.2 | -35.9 | 173.2 | -73.2 | -16.7 | 0 | 0 | 0 | 110.9 | K111 R112 | K111-N115 WeakPolarHBondContact O-CB 3.4Å; K111-N115 PolarHBondContact O-N 2.9Å; K111-N115 PolarHBondContact O-ND2 2.86Å; R112-N115 PolarHBondContact O-N 3.05Å |
| 116 | D | 80.7 | Confident | 91.9 | Very high | 95 Ų | 95 | 46 Ų | 46 | 51% | 0.508 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -76.6 | -27.3 | 175.1 | -65.9 | -17.4 | 0 | 0 | 0 | 112.3 | G62 R112 I114 | G62-D116 CarbonylContact C-O 3.53Å; G62-D116 WeakPolarHBondContact CA-O 3.43Å; R112-D116 VanDerWaalsContact O-CG 3.29Å; R112-D116 PolarHBondContact O-N 2.92Å; I114-D116 VanDerWaalsContact C-N 3.29Å |
| 117 | S | 71.8 | Confident | 92 | Very high | 6 Ų | 6 | 46 Ų | 46 | 4% | 0.042 | 21% | 0.21 | C | C | . | . | trans | -147.1 | 139.7 | -179.4 | 65.4 | 0 | 0 | 0 | 0 | 112.6 | R55 S61 L113 I114 I119 | R55-S117 PolarHBondContact NE-OG 2.74Å; R55-S117 VanDerWaalsContact NH2-CB 3.34Å; R55-S117 PolarHBondContact NH2-OG 2.94Å; S61-S117 WeakPolarHBondContact O-CB 3.27Å; L113-S117 PolarHBondContact O-N 2.91Å; L113-S117 PolarHBondContact O-OG 3.19Å; I114-S117 CarbonylContact C-O 3.27Å; I114-S117 VanDerWaalsContact C-O 3.25Å; I114-S117 WeakPolarHBondContact CA-O 3.25Å; I114-S117 CarbonylContact O-C 3.48Å; I114-S117 VanDerWaalsContact O-C 3.27Å; I114-S117 PolarHBondContact O-N 2.77Å; S117-I119 PolarHBondContact O-N 3.05Å | ||
| 118 | R | 80.7 | Confident | 92 | Very high | 182 Ų | 182 | 43.6 Ų | 43.6 | 69% | 0.687 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -59.7 | -26.2 | -176.5 | -69.8 | -174.1 | -107.1 | -166.1 | -6.5 | 114.8 | Y242 | R118-Y242 VanDerWaalsContact O-CA 3.25Å; R118-Y242 WeakPolarHBondContact O-CA 3.38Å; R118-Y242 WeakPolarHBondContact O-CB 3.45Å |
| 119 | I | 89 | Confident | 91.9 | Very high | 61 Ų | 61 | 46.5 Ų | 46.5 | 31% | 0.313 | 22% | 0.216 | S | C | . | . | trans | -145.2 | 129.1 | -173.8 | -53.1 | 179 | 0 | 0 | 0 | 110.5 | S117 I240 | S117-I119 PolarHBondContact O-N 3.05Å; I119-I240 HydrophobicContact CG2-CG2 3.51Å | ||
| 120 | I | 93.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 159.3 | 164.5 | 64.8 | 178.3 | 0 | 0 | 0 | 110.3 | W53 S54 R55 L113 I114 V122 I240 V241 | W53-I120 HydrophobicContact CE3-CD1 4.27Å; W53-I120 HydrophobicContact CZ3-CD1 4.37Å; S54-I120 WeakPolarHBondContact O-CA 3.32Å; R55-I120 HydrophobicContact CG-CG2 4.21Å; L113-I120 HydrophobicContact CB-CD1 3.94Å; L113-I120 HydrophobicContact CB-CG2 4.12Å; L113-I120 HydrophobicContact CD1-CD1 4.25Å; I114-I120 HydrophobicContact CG2-CD1 3.85Å; I114-I120 HydrophobicContact CG2-CG1 3.94Å; I120-V122 HydrophobicContact CD1-CG2 4.13Å; I120-V122 HydrophobicContact CG1-CG2 4.4Å; I120-I240 WeakPolarHBondContact O-CA 3.16Å; I120-V241 HydrophobicContact CD1-CB 4.32Å; I120-V241 HydrophobicContact CG1-CB 3.8Å; I120-V241 PolarHBondContact N-O 2.96Å; I120-V241 PolarHBondContact O-N 2.96Å |
| 121 | R | 94.2 | Very high | 91.9 | Very high | 73 Ų | 73 | 51 Ų | 51 | 28% | 0.275 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 129.6 | 165.9 | 174.4 | -175.3 | -68.7 | -89.7 | 1.2 | 108.9 | S54 M78 S238 E239 | S54-R121 PolarHBondContact N-O 2.88Å; S54-R121 PolarHBondContact O-N 3.1Å; M78-R121 HydrophobicContact CE-CB 3.62Å; M78-R121 HydrophobicContact CE-CG 4.46Å; R121-S238 VanDerWaalsContact CD-OG 3.28Å; R121-S238 WeakPolarHBondContact CD-OG 3.31Å; R121-S238 VanDerWaalsContact CG-OG 3.31Å; R121-S238 WeakPolarHBondContact CG-OG 3.45Å; R121-S238 PolarHBondContact NH1-OG 3.12Å; R121-E239 CarbonylContact C-O 3.25Å; R121-E239 WeakPolarHBondContact CA-O 3.46Å |
| 122 | V | 96.6 | Very high | 92 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 120.2 | 175.3 | -174.5 | 0 | 0 | 0 | 0 | 107.5 | I51 F52 W53 I120 S238 E239 V241 M250 | I51-V122 HydrophobicContact CG2-CG1 3.57Å; F52-V122 WeakPolarHBondContact O-CA 3.29Å; W53-V122 HydrophobicContact CE3-CG2 3.78Å; W53-V122 HydrophobicContact CZ3-CG1 4.29Å; W53-V122 HydrophobicContact CZ3-CG2 3.65Å; I120-V122 HydrophobicContact CD1-CG2 4.13Å; I120-V122 HydrophobicContact CG1-CG2 4.4Å; V122-S238 WeakPolarHBondContact O-CA 3.47Å; V122-E239 PolarHBondContact N-O 3.32Å; V122-E239 PolarHBondContact O-N 3.09Å; V122-V241 HydrophobicContact CG2-CG2 4Å; V122-M250 HydrophobicContact CB-CG 4.21Å; V122-M250 HydrophobicContact CG1-CG 4.32Å; V122-M250 HydrophobicContact CG1-SD 4.16Å; V122-M250 HydrophobicContact CG2-CE 4.25Å |
| 123 | T | 97.6 | Very high | 92.3 | Very high | 4 Ų | 4 | 54 Ų | 54 | 3% | 0.025 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 118.5 | 178.1 | -60.6 | 0 | 0 | 0 | 0 | 109.4 | F52 M125 I228 E235 F237 S238 | F52-T123 PolarHBondContact N-O 3.04Å; F52-T123 PolarHBondContact O-N 3.41Å; T123-M125 HydrophobicContact CG2-CG 3.99Å; T123-M125 HydrophobicContact CG2-SD 3.63Å; T123-I228 HydrophobicContact CG2-CD1 4.4Å; T123-E235 HydrophobicContact CG2-CG 3.87Å; T123-F237 WeakPolarHBondContact CA-O 3.49Å; T123-S238 PolarHBondContact OG1-OG 2.98Å |
| 124 | A | 98.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 124.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | L45 I51 I236 F237 L254 | L45-A124 HydrophobicContact CD1-CB 3.68Å; L45-A124 HydrophobicContact CD2-CB 4.06Å; L45-A124 HydrophobicContact CG-CB 4.48Å; I51-A124 HydrophobicContact CD1-CB 3.64Å; A124-I236 PolarHBondContact O-N 3.05Å; A124-F237 HydrophobicContact CB-CD1 3.8Å; A124-F237 HydrophobicContact CB-CD2 4.45Å; A124-F237 HydrophobicContact CB-CE1 3.42Å; A124-F237 VanDerWaalsContact CB-CE1 3.42Å; A124-F237 HydrophobicContact CB-CE2 4.1Å; A124-F237 HydrophobicContact CB-CG 4.3Å; A124-F237 HydrophobicContact CB-CZ 3.57Å; A124-F237 PolarHBondContact N-O 2.97Å; A124-F237 PolarHBondContact O-N 2.98Å; A124-L254 HydrophobicContact CB-CD2 4.45Å |
| 125 | M | 98 | Very high | 93 | Very high | 10 Ų | 10 | 54.2 Ų | 54.2 | 5% | 0.049 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 126.1 | -173.4 | -58.2 | -75 | -82.2 | 0 | 0 | 109.4 | D49 L50 F52 T123 I228 L233 Q234 E235 | D49-M125 WeakPolarHBondContact CB-O 3.42Å; L50-M125 HydrophobicContact CB-CB 4.46Å; L50-M125 PolarHBondContact N-O 3.46Å; L50-M125 PolarHBondContact O-N 2.91Å; F52-M125 HydrophobicContact CD2-CB 4.31Å; F52-M125 HydrophobicContact CD2-CG 3.59Å; F52-M125 HydrophobicContact CE2-CB 4.13Å; F52-M125 HydrophobicContact CE2-CG 3.74Å; T123-M125 HydrophobicContact CG2-CG 3.99Å; T123-M125 HydrophobicContact CG2-SD 3.63Å; M125-I228 HydrophobicContact CE-CG1 4.05Å; M125-I228 VanDerWaalsContact CE-O 3.28Å; M125-I228 WeakPolarHBondContact CE-O 3.27Å; M125-I228 HydrophobicContact SD-CG1 4.47Å; M125-L233 HydrophobicContact CB-CB 4.39Å; M125-L233 HydrophobicContact CB-CD2 4.28Å; M125-L233 HydrophobicContact CE-CB 3.48Å; M125-L233 VanDerWaalsContact CE-CB 3.48Å; M125-L233 HydrophobicContact CE-CD1 4.07Å; M125-L233 HydrophobicContact CE-CG 4.4Å; M125-Q234 CarbonylContact C-O 3.6Å; M125-Q234 WeakPolarHBondContact CA-O 3.21Å; M125-E235 WeakPolarHBondContact SD-CA 3.35Å; M125-E235 HydrophobicContact SD-CB 3.65Å; M125-E235 HydrophobicContact SD-CG 4.1Å |
| 126 | R | 97.4 | Very high | 93.6 | Very high | 30 Ų | 30 | 50.2 Ų | 50.2 | 11% | 0.113 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 138.7 | 166.6 | 167.8 | -175.8 | -70.3 | -177.1 | -19.5 | 110.1 | N42 S44 D49 L233 Q234 I236 | N42-R126 PolarHBondContact O-NH1 3.03Å; N42-R126 PolarHBondContact O-NH2 2.83Å; S44-R126 VanDerWaalsContact O-CZ 3.24Å; S44-R126 PolarHBondContact O-NE 3.06Å; S44-R126 PolarHBondContact O-NH2 2.67Å; S44-R126 PolarHBondContact OG-NH2 2.95Å; D49-R126 WeakPolarHBondContact OD1-CA 3.49Å; R126-L233 VanDerWaalsContact O-CA 3.31Å; R126-L233 WeakPolarHBondContact O-CA 3.41Å; R126-Q234 PolarHBondContact N-O 3.38Å; R126-Q234 PolarHBondContact O-N 3.36Å; R126-I236 HydrophobicContact CB-CD1 3.85Å; R126-I236 HydrophobicContact CB-CG1 4.04Å |
| 127 | V | 97.7 | Very high | 94.4 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.012 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 116.2 | 164.7 | -174 | 0 | 0 | 0 | 0 | 109.1 | D49 L50 Q130 K135 Y177 F186 N232 L233 | D49-V127 PolarHBondContact OD1-N 3.4Å; L50-V127 HydrophobicContact CD1-CG2 4.2Å; L50-V127 HydrophobicContact CG-CG2 3.9Å; V127-Q130 HydrophobicContact CG1-CB 4.45Å; V127-Q130 HydrophobicContact CG1-CG 3.79Å; V127-K135 HydrophobicContact CB-CD 4.22Å; V127-Y177 HydrophobicContact CB-CE1 4.26Å; V127-Y177 WeakPolarHBondContact CB-OH 3.32Å; V127-Y177 HydrophobicContact CG1-CD1 4.43Å; V127-Y177 HydrophobicContact CG1-CE1 3.75Å; V127-Y177 HydrophobicContact CG2-CE1 4.44Å; V127-Y177 HydrophobicContact CG2-CE2 3.97Å; V127-Y177 WeakPolarHBondContact CG2-OH 3.44Å; V127-F186 HydrophobicContact CG1-CZ 4.08Å; V127-F186 HydrophobicContact CG2-CZ 4.1Å; V127-N232 WeakPolarHBondContact CA-O 3.3Å; V127-L233 HydrophobicContact CB-CD2 4.47Å; V127-L233 HydrophobicContact CG2-CD2 3.84Å |
| 128 | T | 96 | Very high | 95.7 | Very high | 25 Ų | 25 | 49.1 Ų | 49.1 | 15% | 0.153 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 160.6 | -176.5 | 64.8 | 0 | 0 | 0 | 0 | 111.3 | Q130 N232 Q234 | T128-Q130 PolarHBondContact O-N 2.72Å; T128-N232 PolarHBondContact N-O 3.1Å; T128-N232 VanDerWaalsContact OG1-CA 3.27Å; T128-N232 WeakPolarHBondContact OG1-CA 3.23Å; T128-N232 PolarHBondContact OG1-O 3.07Å; T128-Q234 HydrophobicContact CG2-CB 3.56Å |
| 129 | D | 94.5 | Very high | 96.6 | Very high | 142 Ų | 142 | 40.4 Ų | 40.4 | 76% | 0.759 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 17.1 | 174.4 | -49.5 | -48.9 | 0 | 0 | 0 | 115.4 | ||
| 130 | Q | 95.6 | Very high | 97 | Very high | 52 Ų | 52 | 39.7 Ų | 39.7 | 24% | 0.243 | 20% | 0.2 | C | C | . | . | trans | -117 | 139 | 173.9 | -56.4 | -50.9 | -51.7 | 0 | 0 | 110.5 | V127 T128 T134 K135 Y177 | V127-Q130 HydrophobicContact CG1-CB 4.45Å; V127-Q130 HydrophobicContact CG1-CG 3.79Å; T128-Q130 PolarHBondContact O-N 2.72Å; Q130-T134 HydrophobicContact CB-CG2 4.38Å; Q130-K135 HydrophobicContact CB-CG 4.01Å; Q130-Y177 HydrophobicContact CB-CE1 4.38Å; Q130-Y177 HydrophobicContact CG-CD1 4.33Å; Q130-Y177 HydrophobicContact CG-CE1 4.03Å | ||
| 131 | S | 96.1 | Very high | 97.3 | Very high | 62 Ų | 62 | 41 Ų | 41 | 43% | 0.434 | 21% | 0.205 | S | C | . | . | trans | -67.3 | 157 | 176.5 | 80.7 | 0 | 0 | 0 | 0 | 111.4 | M133 T134 K135 | S131-M133 PolarHBondContact O-N 3.01Å; S131-M133 PolarHBondContact OG-N 3.33Å; S131-T134 PolarHBondContact O-N 3.1Å; S131-T134 VanDerWaalsContact O-N 3.17Å; S131-T134 PolarHBondContact OG-N 2.91Å; S131-T134 PolarHBondContact OG-OG1 3.27Å; S131-K135 WeakPolarHBondContact O-CG 3.21Å; S131-K135 PolarHBondContact O-N 3.1Å | ||
| 132 | R | 95.4 | Very high | 97.5 | Very high | 97 Ų | 97 | 37.5 Ų | 37.5 | 37% | 0.366 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -54.5 | -42.5 | 173.5 | -178.8 | 63.7 | -177.8 | -110.4 | 2.6 | 111.5 | N46 T134 K135 D136 N259 | N46-R132 PolarHBondContact OD1-NH1 2.94Å; R132-T134 PolarHBondContact O-N 3.1Å; R132-K135 PolarHBondContact O-N 2.88Å; R132-D136 IonicContact NE-OD1 3.92Å; R132-D136 PolarHBondContact NE-OD1 2.89Å; R132-D136 IonicContact NE-OD2 2.63Å; R132-D136 VanDerWaalsContact O-CG 3.24Å; R132-D136 PolarHBondContact O-N 2.95Å; R132-N259 PolarHBondContact NH1-O 3.46Å; R132-N259 PolarHBondContact NH2-O 2.83Å |
| 133 | M | 97.5 | Very high | 97.6 | Very high | 133 Ų | 133 | 39.7 Ų | 39.7 | 66% | 0.655 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -58.5 | -47.6 | 177.1 | -177.5 | 176.5 | -72.2 | 0 | 0 | 112 | S131 K135 D136 E137 | S131-M133 PolarHBondContact O-N 3.01Å; S131-M133 PolarHBondContact OG-N 3.33Å; M133-K135 VanDerWaalsContact C-N 3.33Å; M133-K135 PolarHBondContact O-N 3.31Å; M133-D136 PolarHBondContact O-N 3.48Å; M133-E137 WeakPolarHBondContact O-CB 3.29Å; M133-E137 WeakPolarHBondContact O-CG 3.35Å; M133-E137 PolarHBondContact O-N 3.24Å |
| 134 | T | 98.3 | Very high | 97.7 | Very high | 22 Ų | 22 | 45.9 Ų | 45.9 | 14% | 0.135 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.4 | -41.1 | 177.7 | -53.7 | 0 | 0 | 0 | 0 | 112 | Q130 S131 R132 E137 A138 A180 T181 | Q130-T134 HydrophobicContact CB-CG2 4.38Å; S131-T134 PolarHBondContact O-N 3.1Å; S131-T134 VanDerWaalsContact O-N 3.17Å; S131-T134 PolarHBondContact OG-N 2.91Å; S131-T134 PolarHBondContact OG-OG1 3.27Å; R132-T134 PolarHBondContact O-N 3.1Å; T134-E137 PolarHBondContact O-N 3Å; T134-A138 WeakPolarHBondContact O-CB 3.28Å; T134-A138 PolarHBondContact O-N 3.33Å; T134-A180 HydrophobicContact CG2-CB 4.06Å; T134-T181 HydrophobicContact CG2-CG2 3.52Å |
| 135 | K | 98.5 | Very high | 97.7 | Very high | 10 Ų | 10 | 47.7 Ų | 47.7 | 4% | 0.043 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.5 | -39.9 | 176.8 | -61.7 | -163 | -63.8 | -179.4 | 0 | 111.6 | N46 R47 G48 D49 V127 Q130 S131 R132 M133 A138 A139 Y177 | N46-K135 PolarHBondContact ND2-NZ 3.36Å; R47-K135 VanDerWaalsContact O-CB 3.32Å; R47-K135 WeakPolarHBondContact O-CB 3.25Å; G48-K135 WeakPolarHBondContact CA-O 3.27Å; D49-K135 VanDerWaalsContact CG-NZ 3.34Å; D49-K135 WeakPolarHBondContact OD1-CD 3.37Å; D49-K135 IonicContact OD1-NZ 2.86Å; D49-K135 PolarHBondContact OD1-NZ 3.18Å; D49-K135 IonicContact OD2-NZ 3.6Å; D49-K135 PolarHBondContact OD2-NZ 2.78Å; V127-K135 HydrophobicContact CB-CD 4.22Å; Q130-K135 HydrophobicContact CB-CG 4.01Å; S131-K135 WeakPolarHBondContact O-CG 3.21Å; S131-K135 PolarHBondContact O-N 3.1Å; R132-K135 PolarHBondContact O-N 2.88Å; M133-K135 VanDerWaalsContact C-N 3.33Å; M133-K135 PolarHBondContact O-N 3.31Å; K135-A138 PolarHBondContact O-N 3.48Å; K135-A139 WeakPolarHBondContact O-CB 3.31Å; K135-A139 PolarHBondContact O-N 2.85Å; K135-Y177 HydrophobicContact CG-CE1 4.21Å; K135-Y177 WeakPolarHBondContact CG-OH 3.48Å |
| 136 | D | 98.4 | Very high | 97.7 | Very high | 48 Ų | 48 | 50.6 Ų | 50.6 | 26% | 0.257 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.5 | -40 | 175.6 | -68.8 | -23.9 | 0 | 0 | 0 | 111.9 | R47 R132 M133 A139 S140 | R47-D136 WeakPolarHBondContact CB-OD1 3.33Å; R47-D136 WeakPolarHBondContact CD-OD1 3.46Å; R132-D136 IonicContact NE-OD1 3.92Å; R132-D136 PolarHBondContact NE-OD1 2.89Å; R132-D136 IonicContact NE-OD2 2.63Å; R132-D136 VanDerWaalsContact O-CG 3.24Å; R132-D136 PolarHBondContact O-N 2.95Å; M133-D136 PolarHBondContact O-N 3.48Å; D136-A139 PolarHBondContact O-N 3.25Å; D136-S140 VanDerWaalsContact O-CB 3.3Å; D136-S140 WeakPolarHBondContact O-CB 3.39Å; D136-S140 PolarHBondContact O-N 3.43Å; D136-S140 PolarHBondContact O-OG 3.41Å |
| 137 | E | 98.7 | Very high | 97.8 | Very high | 78 Ų | 78 | 52.3 Ų | 52.3 | 36% | 0.364 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.5 | -45.8 | 174.6 | -76.7 | 174.7 | 160.6 | 0 | 0 | 111.8 | M133 T134 S140 W141 W179 A180 | M133-E137 WeakPolarHBondContact O-CB 3.29Å; M133-E137 WeakPolarHBondContact O-CG 3.35Å; M133-E137 PolarHBondContact O-N 3.24Å; T134-E137 PolarHBondContact O-N 3Å; E137-S140 PolarHBondContact O-N 3.27Å; E137-W141 WeakPolarHBondContact O-CB 3.31Å; E137-W141 PolarHBondContact O-N 2.93Å; E137-W179 HydrophobicContact CB-CZ3 4.29Å; E137-A180 HydrophobicContact CB-CB 3.92Å |
| 138 | A | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.4 | -46.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | T134 K135 S140 W141 A142 S176 Y177 A180 | T134-A138 WeakPolarHBondContact O-CB 3.28Å; T134-A138 PolarHBondContact O-N 3.33Å; K135-A138 PolarHBondContact O-N 3.48Å; A138-S140 VanDerWaalsContact C-N 3.33Å; A138-S140 PolarHBondContact O-N 2.89Å; A138-W141 PolarHBondContact O-N 3.44Å; A138-A142 PolarHBondContact O-N 2.86Å; A138-S176 WeakPolarHBondContact O-CB 3.37Å; A138-Y177 HydrophobicContact CB-CD1 4.11Å; A138-Y177 HydrophobicContact CB-CD2 3.96Å; A138-Y177 HydrophobicContact CB-CE1 4.13Å; A138-Y177 HydrophobicContact CB-CE2 3.99Å; A138-Y177 HydrophobicContact CB-CG 4.03Å; A138-A180 HydrophobicContact CB-CB 3.99Å |
| 139 | A | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.4 | -43 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R47 V85 L87 K135 D136 A142 E143 | R47-A139 HydrophobicContact CG-CB 3.54Å; V85-A139 HydrophobicContact CG1-CB 4.05Å; L87-A139 HydrophobicContact CD2-CB 4.09Å; K135-A139 WeakPolarHBondContact O-CB 3.31Å; K135-A139 PolarHBondContact O-N 2.85Å; D136-A139 PolarHBondContact O-N 3.25Å; A139-A142 PolarHBondContact O-N 2.68Å; A139-E143 PolarHBondContact O-N 3.21Å |
| 140 | S | 98.7 | Very high | 98.1 | Very high | 46 Ų | 46 | 47.4 Ų | 47.4 | 32% | 0.322 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -67.2 | -37.3 | 179.6 | -56.6 | 0 | 0 | 0 | 0 | 112 | R47 D136 E137 A138 E143 N144 | R47-S140 PolarHBondContact NH2-OG 3.43Å; D136-S140 VanDerWaalsContact O-CB 3.3Å; D136-S140 WeakPolarHBondContact O-CB 3.39Å; D136-S140 PolarHBondContact O-N 3.43Å; D136-S140 PolarHBondContact O-OG 3.41Å; E137-S140 PolarHBondContact O-N 3.27Å; A138-S140 VanDerWaalsContact C-N 3.33Å; A138-S140 PolarHBondContact O-N 2.89Å; S140-E143 PolarHBondContact O-N 2.9Å; S140-N144 WeakPolarHBondContact O-CB 3.34Å; S140-N144 PolarHBondContact O-N 3.47Å; S140-N144 PolarHBondContact O-ND2 3.49Å |
| 141 | W | 98.8 | Very high | 98.2 | Very high | 27 Ų | 27 | 45 Ų | 45 | 10% | 0.102 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.8 | -45.8 | 171.7 | -174.2 | 93.1 | 0 | 0 | 0 | 111.6 | E137 A138 E143 N144 K145 Y167 L172 K175 S176 W179 | E137-W141 WeakPolarHBondContact O-CB 3.31Å; E137-W141 PolarHBondContact O-N 2.93Å; A138-W141 PolarHBondContact O-N 3.44Å; W141-E143 PolarHBondContact O-N 3.45Å; W141-N144 WeakPolarHBondContact O-CB 3.43Å; W141-N144 PolarHBondContact O-N 3.14Å; W141-K145 HydrophobicContact CD2-CG 4.32Å; W141-K145 HydrophobicContact CE3-CG 3.96Å; W141-K145 HydrophobicContact CH2-CD 4.4Å; W141-K145 HydrophobicContact CH2-CG 3.96Å; W141-K145 HydrophobicContact CZ2-CD 4.33Å; W141-K145 HydrophobicContact CZ2-CG 4.3Å; W141-K145 HydrophobicContact CZ3-CG 3.78Å; W141-K145 WeakPolarHBondContact O-CG 3.31Å; W141-K145 PolarHBondContact O-N 3.17Å; W141-Y167 HydrophobicContact CH2-CD1 4.47Å; W141-Y167 AromaticContact CH2-CE1 3.61Å; W141-Y167 HydrophobicContact CH2-CE1 3.61Å; W141-Y167 AromaticContact CH2-CZ 3.62Å; W141-Y167 WeakPolarHBondContact CH2-OH 3.41Å; W141-Y167 HydrophobicContact CZ3-CE1 4.38Å; W141-L172 HydrophobicContact CZ3-CD1 3.99Å; W141-K175 HydrophobicContact CH2-CB 3.59Å; W141-K175 HydrophobicContact CZ2-CB 4.38Å; W141-K175 HydrophobicContact CZ3-CB 3.99Å; W141-S176 VanDerWaalsContact CE3-CA 3.41Å; W141-W179 HydrophobicContact CB-CD2 4.23Å; W141-W179 HydrophobicContact CB-CE3 3.79Å; W141-W179 HydrophobicContact CB-CZ3 4.22Å; W141-W179 AromaticContact CD1-CD1 3.59Å; W141-W179 AromaticContact CD1-CD2 3.16Å; W141-W179 AromaticContact CD1-CE2 3.47Å; W141-W179 VanDerWaalsContact CD1-CE2 3.47Å; W141-W179 AromaticContact CD1-CE3 3.63Å; W141-W179 AromaticContact CD1-CG 3.27Å; W141-W179 AromaticContact CD1-NE1 3.69Å; W141-W179 HydrophobicContact CD2-CB 4.36Å; W141-W179 HydrophobicContact CD2-CG 4.47Å; W141-W179 HydrophobicContact CG-CB 4.19Å; W141-W179 AromaticContact CG-CD2 3.85Å; W141-W179 HydrophobicContact CG-CD2 3.85Å; W141-W179 AromaticContact CG-CE3 3.94Å; W141-W179 HydrophobicContact CG-CE3 3.94Å; W141-W179 AromaticContact CG-CG 3.96Å; W141-W179 HydrophobicContact CG-CG 3.96Å; W141-W179 AromaticContact NE1-CD1 3.32Å; W141-W179 VanDerWaalsContact NE1-CD1 3.32Å; W141-W179 AromaticContact NE1-CD2 3.76Å; W141-W179 AromaticContact NE1-CE2 3.99Å; W141-W179 AromaticContact NE1-CG 3.33Å; W141-W179 VanDerWaalsContact NE1-CG 3.33Å; W141-W179 AromaticContact NE1-NE1 3.7Å |
| 142 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.5 | -40 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V85 V93 A138 A139 N144 K145 L172 | V85-A142 HydrophobicContact CG2-CB 4.45Å; V93-A142 HydrophobicContact CG1-CB 3.68Å; A138-A142 PolarHBondContact O-N 2.86Å; A139-A142 PolarHBondContact O-N 2.68Å; A142-N144 VanDerWaalsContact C-N 3.33Å; A142-N144 PolarHBondContact O-N 3.08Å; A142-K145 WeakPolarHBondContact O-CB 3.15Å; A142-K145 PolarHBondContact O-N 3.03Å; A142-K145 VanDerWaalsContact O-N 3.1Å; A142-L172 HydrophobicContact CB-CD1 4.38Å; A142-L172 HydrophobicContact CB-CD2 4.45Å; A142-L172 HydrophobicContact CB-CG 4.26Å |
| 143 | E | 98.5 | Very high | 98.2 | Very high | 45 Ų | 45 | 39.7 Ų | 39.7 | 21% | 0.21 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.1 | -39.9 | 172.1 | -75.7 | -163.5 | -132 | 0 | 0 | 112.7 | R47 L87 I103 A139 S140 W141 K145 V146 | R47-E143 IonicContact CZ-OE1 3.64Å; R47-E143 IonicContact NH1-OE1 2.75Å; R47-E143 PolarHBondContact NH1-OE1 3.49Å; R47-E143 IonicContact NH2-OE1 2.68Å; R47-E143 PolarHBondContact NH2-OE1 3.24Å; L87-E143 VanDerWaalsContact CD1-CD 3.44Å; L87-E143 HydrophobicContact CD1-CG 3.61Å; L87-E143 VanDerWaalsContact CD1-OE1 3.31Å; L87-E143 WeakPolarHBondContact CD1-OE1 3.43Å; L87-E143 HydrophobicContact CD2-CG 3.61Å; L87-E143 WeakPolarHBondContact CD2-OE1 3.13Å; L87-E143 HydrophobicContact CG-CG 4.21Å; I103-E143 HydrophobicContact CD1-CG 3.95Å; A139-E143 PolarHBondContact O-N 3.21Å; S140-E143 PolarHBondContact O-N 2.9Å; W141-E143 PolarHBondContact O-N 3.45Å; E143-K145 PolarHBondContact O-N 3.37Å; E143-K145 VanDerWaalsContact O-N 3.11Å; E143-V146 WeakPolarHBondContact O-CB 3.39Å; E143-V146 WeakPolarHBondContact O-CG2 3.34Å; E143-V146 PolarHBondContact O-N 3.3Å |
| 144 | N | 98.6 | Very high | 98.1 | Very high | 134 Ų | 134 | 34 Ų | 34 | 72% | 0.717 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -10.1 | 176.2 | -70.5 | -25 | 0 | 0 | 0 | 113.4 | S140 W141 A142 | S140-N144 WeakPolarHBondContact O-CB 3.34Å; S140-N144 PolarHBondContact O-N 3.47Å; S140-N144 PolarHBondContact O-ND2 3.49Å; W141-N144 WeakPolarHBondContact O-CB 3.43Å; W141-N144 PolarHBondContact O-N 3.14Å; A142-N144 VanDerWaalsContact C-N 3.33Å; A142-N144 PolarHBondContact O-N 3.08Å |
| 145 | K | 98.7 | Very high | 97.9 | Very high | 38 Ų | 38 | 34.4 Ų | 34.4 | 17% | 0.165 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -3.1 | 173 | -60.4 | -47.2 | -176.6 | 171.1 | 0 | 113.9 | V101 W141 A142 E143 G147 A148 E165 Y167 L172 | V101-K145 VanDerWaalsContact CB-O 3.25Å; V101-K145 WeakPolarHBondContact CB-O 3.47Å; V101-K145 HydrophobicContact CG1-CB 4.11Å; V101-K145 HydrophobicContact CG2-CB 4.33Å; W141-K145 HydrophobicContact CD2-CG 4.32Å; W141-K145 HydrophobicContact CE3-CG 3.96Å; W141-K145 HydrophobicContact CH2-CD 4.4Å; W141-K145 HydrophobicContact CH2-CG 3.96Å; W141-K145 HydrophobicContact CZ2-CD 4.33Å; W141-K145 HydrophobicContact CZ2-CG 4.3Å; W141-K145 HydrophobicContact CZ3-CG 3.78Å; W141-K145 WeakPolarHBondContact O-CG 3.31Å; W141-K145 PolarHBondContact O-N 3.17Å; A142-K145 WeakPolarHBondContact O-CB 3.15Å; A142-K145 PolarHBondContact O-N 3.03Å; A142-K145 VanDerWaalsContact O-N 3.1Å; E143-K145 PolarHBondContact O-N 3.37Å; E143-K145 VanDerWaalsContact O-N 3.11Å; K145-G147 PolarHBondContact O-N 3.24Å; K145-A148 WeakPolarHBondContact O-CB 3.39Å; K145-A148 PolarHBondContact O-N 2.92Å; K145-E165 IonicContact NZ-OE1 2.83Å; K145-E165 PolarHBondContact NZ-OE1 3.15Å; K145-E165 IonicContact NZ-OE2 3.24Å; K145-Y167 HydrophobicContact CB-CD2 4.33Å; K145-Y167 HydrophobicContact CB-CE2 4.13Å; K145-Y167 HydrophobicContact CD-CE2 3.82Å; K145-Y167 WeakPolarHBondContact CE-OH 3.34Å; K145-Y167 HydrophobicContact CG-CD2 4.4Å; K145-Y167 HydrophobicContact CG-CE2 3.8Å; K145-L172 HydrophobicContact CB-CD1 4.01Å; K145-L172 HydrophobicContact CG-CD1 4.2Å |
| 146 | V | 98.7 | Very high | 97.7 | Very high | 71 Ų | 71 | 36.7 Ų | 36.7 | 43% | 0.43 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 128.8 | 175.4 | 171.1 | 0 | 0 | 0 | 0 | 110.3 | V93 V101 I103 E143 | V93-V146 HydrophobicContact CG2-CG2 4.13Å; V101-V146 HydrophobicContact CG1-CG2 4.31Å; V101-V146 WeakPolarHBondContact O-CA 3.5Å; I103-V146 HydrophobicContact CD1-CG2 3.88Å; I103-V146 HydrophobicContact CG1-CG2 3.71Å; E143-V146 WeakPolarHBondContact O-CB 3.39Å; E143-V146 WeakPolarHBondContact O-CG2 3.34Å; E143-V146 PolarHBondContact O-N 3.3Å |
| 147 | G | 98.3 | Very high | 97.6 | Very high | 67 Ų | 67 | 38.9 Ų | 38.9 | 69% | 0.691 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 94.7 | -12.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | V101 K145 | V101-G147 PolarHBondContact O-N 2.92Å; K145-G147 PolarHBondContact O-N 3.24Å |
| 148 | A | 98.6 | Very high | 97.5 | Very high | 12 Ų | 12 | 35.9 Ų | 35.9 | 10% | 0.099 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -65.1 | 146.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | G100 V101 K145 E165 Y167 | G100-A148 WeakPolarHBondContact CA-O 3.23Å; V101-A148 HydrophobicContact CB-CB 4.5Å; V101-A148 HydrophobicContact CG2-CB 4.04Å; V101-A148 PolarHBondContact N-O 3.42Å; K145-A148 WeakPolarHBondContact O-CB 3.39Å; K145-A148 PolarHBondContact O-N 2.92Å; A148-E165 HydrophobicContact CB-CG 4.36Å; A148-Y167 HydrophobicContact CB-CD2 3.93Å; A148-Y167 HydrophobicContact CB-CE2 4.13Å |
| 149 | A | 98.5 | Very high | 97.4 | Very high | 31 Ų | 31 | 37.9 Ų | 37.9 | 26% | 0.256 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 169 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N160 E165 A166 Y167 | A149-N160 WeakPolarHBondContact CB-ND2 3.39Å; A149-E165 PolarHBondContact N-O 3.44Å; A149-E165 VanDerWaalsContact N-O 3.1Å; A149-A166 HydrophobicContact CB-CB 4.01Å; A149-A166 CarbonylContact O-C 3.35Å; A149-A166 WeakPolarHBondContact O-CA 3.44Å; A149-A166 WeakPolarHBondContact O-CB 3.41Å; A149-Y167 PolarHBondContact O-N 3.11Å |
| 150 | Y | 98.4 | Very high | 97.3 | Very high | 23 Ų | 23 | 38.9 Ų | 38.9 | 9% | 0.09 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 131.1 | 166.9 | -168.9 | -103 | 0 | 0 | 0 | 110.4 | F66 S95 N96 P97 D152 N160 | F66-Y150 HydrophobicContact CE2-CE1 4.35Å; F66-Y150 AromaticContact CZ-CE1 3.97Å; F66-Y150 HydrophobicContact CZ-CE1 3.97Å; F66-Y150 AromaticContact CZ-CZ 3.89Å; F66-Y150 VanDerWaalsContact CZ-OH 3.22Å; F66-Y150 WeakPolarHBondContact CZ-OH 3.26Å; S95-Y150 WeakPolarHBondContact OG-CD2 3.26Å; N96-Y150 WeakPolarHBondContact O-CD2 3.24Å; P97-Y150 HydrophobicContact CB-CD1 4.3Å; P97-Y150 HydrophobicContact CB-CE1 4.41Å; P97-Y150 HydrophobicContact CB-CG 4.44Å; P97-Y150 HydrophobicContact CG-CD1 4.45Å; P97-Y150 HydrophobicContact CG-CD2 4.49Å; P97-Y150 HydrophobicContact CG-CE1 4.12Å; P97-Y150 HydrophobicContact CG-CE2 4.14Å; Y150-D152 HydrophobicContact CD1-CB 4.18Å; Y150-D152 PolarHBondContact O-N 3.33Å; Y150-N160 WeakPolarHBondContact O-CB 3.41Å |
| 151 | N | 97.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -76.7 | 82.5 | 174.3 | -178.5 | -9.6 | 0 | 0 | 0 | 109.2 | I153 F154 S155 T159 A166 Y167 Y168 Q171 | N151-I153 PolarHBondContact O-N 2.94Å; N151-I153 PolarHBondContact OD1-N 3.36Å; N151-F154 PolarHBondContact O-N 2.96Å; N151-F154 WeakPolarHBondContact OD1-CA 3.39Å; N151-F154 PolarHBondContact OD1-N 2.66Å; N151-S155 PolarHBondContact ND2-N 2.93Å; N151-S155 PolarHBondContact ND2-O 2.9Å; N151-S155 PolarHBondContact OD1-N 2.91Å; N151-T159 PolarHBondContact OD1-O 3.27Å; N151-A166 HydrophobicContact CB-CB 3.88Å; N151-Y167 PolarHBondContact N-O 3.23Å; N151-Y167 VanDerWaalsContact N-O 3.15Å; N151-Y168 HydrophobicContact CB-CD1 3.95Å; N151-Q171 PolarHBondContact ND2-OE1 3.16Å | ||
| 152 | D | 95.9 | Very high | 97 | Very high | 20 Ų | 20 | 45.1 Ų | 45.1 | 11% | 0.107 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -6.6 | -173.7 | 71.8 | -27.4 | 0 | 0 | 0 | 113.9 | Y150 N160 S161 Y207 R211 | Y150-D152 HydrophobicContact CD1-CB 4.18Å; Y150-D152 PolarHBondContact O-N 3.33Å; D152-N160 VanDerWaalsContact OD1-CA 3.28Å; D152-N160 WeakPolarHBondContact OD1-CA 3.41Å; D152-N160 VanDerWaalsContact OD1-CB 3.24Å; D152-N160 WeakPolarHBondContact OD1-CB 3.38Å; D152-S161 PolarHBondContact OD1-N 3.05Å; D152-S161 PolarHBondContact OD1-OG 2.94Å; D152-S161 WeakPolarHBondContact OD2-CB 3.22Å; D152-S161 PolarHBondContact OD2-OG 3.25Å; D152-Y207 WeakPolarHBondContact CA-OH 3.16Å; D152-Y207 WeakPolarHBondContact CB-OH 3.25Å; D152-Y207 WeakPolarHBondContact O-CE1 3.28Å; D152-Y207 VanDerWaalsContact O-CZ 3.3Å; D152-Y207 PolarHBondContact O-OH 2.76Å; D152-R211 WeakPolarHBondContact OD2-CD 3.27Å; D152-R211 IonicContact OD2-CZ 2.8Å; D152-R211 IonicContact OD2-NE 2.74Å; D152-R211 PolarHBondContact OD2-NE 3.25Å; D152-R211 IonicContact OD2-NH2 3.01Å |
| 153 | I | 95.3 | Very high | 96.8 | Very high | 28 Ų | 28 | 47.8 Ų | 47.8 | 14% | 0.144 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 3.1 | 176.2 | 58.2 | 168.2 | 0 | 0 | 0 | 112.4 | N151 S155 T159 F208 L213 | N151-I153 PolarHBondContact O-N 2.94Å; N151-I153 PolarHBondContact OD1-N 3.36Å; I153-S155 PolarHBondContact O-N 3.4Å; I153-T159 WeakPolarHBondContact CG1-O 3.46Å; I153-F208 HydrophobicContact CB-CE1 4.29Å; I153-F208 HydrophobicContact CG2-CE1 4.47Å; I153-L213 HydrophobicContact CB-CD1 4.27Å; I153-L213 HydrophobicContact CG2-CD1 3.46Å; I153-L213 VanDerWaalsContact CG2-CD1 3.46Å |
| 154 | F | 95.3 | Very high | 96.8 | Very high | 15 Ų | 15 | 48.6 Ų | 48.6 | 7% | 0.066 | 31% | 0.309 | C | S | . | . | trans | 53.5 | 31.8 | -178.1 | -50.2 | -84.4 | 0 | 0 | 0 | 114 | F66 N151 Y168 L191 F193 W204 Y207 F208 | F66-F154 HydrophobicContact CE2-CZ 4.05Å; F66-F154 HydrophobicContact CZ-CE1 4.4Å; F66-F154 AromaticContact CZ-CZ 3.91Å; F66-F154 HydrophobicContact CZ-CZ 3.91Å; N151-F154 PolarHBondContact O-N 2.96Å; N151-F154 WeakPolarHBondContact OD1-CA 3.39Å; N151-F154 PolarHBondContact OD1-N 2.66Å; F154-Y168 HydrophobicContact CB-CD1 4.43Å; F154-Y168 HydrophobicContact CB-CE1 4.15Å; F154-Y168 AromaticContact CD1-CD1 3.95Å; F154-Y168 HydrophobicContact CD1-CD1 3.95Å; F154-Y168 HydrophobicContact CD1-CD2 4.25Å; F154-Y168 HydrophobicContact CD1-CE1 4.28Å; F154-Y168 AromaticContact CD1-CG 3.95Å; F154-Y168 HydrophobicContact CD1-CG 3.95Å; F154-Y168 HydrophobicContact CE1-CG 4.5Å; F154-L191 HydrophobicContact CB-CD1 4.09Å; F154-L191 HydrophobicContact CB-CD2 4.07Å; F154-F193 HydrophobicContact CB-CZ 4.49Å; F154-F193 AromaticContact CD2-CE1 3.86Å; F154-F193 HydrophobicContact CD2-CE1 3.86Å; F154-F193 AromaticContact CD2-CZ 3.85Å; F154-F193 HydrophobicContact CD2-CZ 3.85Å; F154-F193 AromaticContact CE2-CE1 3.93Å; F154-F193 HydrophobicContact CE2-CE1 3.93Å; F154-F193 HydrophobicContact CE2-CZ 4.4Å; F154-F193 HydrophobicContact CG-CZ 4.3Å; F154-W204 HydrophobicContact CE2-CE3 4.41Å; F154-W204 HydrophobicContact CE2-CH2 4.06Å; F154-W204 AromaticContact CE2-CZ3 3.68Å; F154-W204 HydrophobicContact CE2-CZ3 3.68Å; F154-W204 AromaticContact CZ-CH2 3.75Å; F154-W204 HydrophobicContact CZ-CH2 3.75Å; F154-W204 AromaticContact CZ-CZ3 3.82Å; F154-W204 HydrophobicContact CZ-CZ3 3.82Å; F154-Y207 HydrophobicContact CE2-CE1 4.19Å; F154-F208 HydrophobicContact CD2-CE2 4.46Å; F154-F208 AromaticContact CD2-CZ 3.87Å; F154-F208 HydrophobicContact CD2-CZ 3.87Å; F154-F208 HydrophobicContact CE2-CZ 4.31Å | ||
| 155 | S | 94.2 | Very high | 96.8 | Very high | 29 Ų | 29 | 46.8 Ų | 46.8 | 20% | 0.203 | 30% | 0.296 | C | S | . | . | trans | -67.5 | 133 | -177.5 | 174.4 | 0 | 0 | 0 | 0 | 111.9 | N151 I153 S157 C158 Q171 | N151-S155 PolarHBondContact ND2-N 2.93Å; N151-S155 PolarHBondContact ND2-O 2.9Å; N151-S155 PolarHBondContact OD1-N 2.91Å; I153-S155 PolarHBondContact O-N 3.4Å; S155-S157 PolarHBondContact O-N 2.85Å; S155-S157 PolarHBondContact OG-N 2.87Å; S155-C158 PolarHBondContact O-N 3.38Å; S155-Q171 PolarHBondContact O-NE2 2.68Å | ||
| 156 | E | 94.7 | Very high | 96.8 | Very high | 58 Ų | 58 | 45 Ų | 45 | 27% | 0.271 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -22.9 | 175.3 | -177.5 | 53.3 | -155.2 | 0 | 0 | 112.8 | C158 R174 K175 | E156-C158 PolarHBondContact O-N 2.62Å; E156-C158 VanDerWaalsContact O-N 3.17Å; E156-R174 IonicContact OE1-CZ 3.46Å; E156-R174 VanDerWaalsContact OE1-CZ 3.24Å; E156-R174 IonicContact OE1-NH1 3.05Å; E156-R174 PolarHBondContact OE1-NH1 3.25Å; E156-R174 IonicContact OE1-NH2 3.88Å; E156-R174 PolarHBondContact OE1-NH2 2.85Å; E156-R174 IonicContact OE2-CZ 3.26Å; E156-R174 IonicContact OE2-NH1 2.93Å; E156-R174 IonicContact OE2-NH2 2.8Å; E156-R174 PolarHBondContact OE2-NH2 2.81Å; E156-K175 WeakPolarHBondContact OE1-CE 3.41Å; E156-K175 IonicContact OE1-NZ 2.67Å; E156-K175 PolarHBondContact OE1-NZ 3.35Å |
| 157 | S | 94.9 | Very high | 96.8 | Very high | 95 Ų | 95 | 42.1 Ų | 42.1 | 66% | 0.664 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | 4.8 | 177.5 | -55.6 | 0 | 0 | 0 | 0 | 114.1 | S155 T159 | S155-S157 PolarHBondContact O-N 2.85Å; S155-S157 PolarHBondContact OG-N 2.87Å; S157-T159 PolarHBondContact O-N 3.46Å |
| 158 | C | 97 | Very high | 96.7 | Very high | 15 Ų | 15 | 39.1 Ų | 39.1 | 10% | 0.101 | 24% | 0.238 | C | C | . | . | S | Bend | trans | 57.6 | 46.7 | 179.8 | -53.5 | 0 | 0 | 0 | 0 | 112.4 | S155 E156 E165 A166 Y167 | S155-C158 PolarHBondContact O-N 3.38Å; E156-C158 PolarHBondContact O-N 2.62Å; E156-C158 VanDerWaalsContact O-N 3.17Å; C158-E165 WeakPolarHBondContact O-CA 3.42Å; C158-A166 CarbonylContact C-O 3.55Å; C158-A166 WeakPolarHBondContact CA-O 3.41Å; C158-A166 WeakPolarHBondContact CB-O 3.24Å; C158-A166 PolarHBondContact O-N 2.96Å; C158-A166 VanDerWaalsContact O-O 3.1Å; C158-Y167 HydrophobicContact CB-CD1 4.12Å; C158-Y167 HydrophobicContact CB-CE1 3.63Å; C158-Y167 VanDerWaalsContact SG-CE1 3.54Å |
| 159 | T | 97.2 | Very high | 96.7 | Very high | 42 Ų | 42 | 38.8 Ų | 38.8 | 26% | 0.258 | 24% | 0.235 | S | C | . | . | B | Isolated β-bridge | trans | -130.2 | 149.3 | 177.3 | 54.9 | 0 | 0 | 0 | 0 | 111.5 | N151 I153 S157 S164 | N151-T159 PolarHBondContact OD1-O 3.27Å; I153-T159 WeakPolarHBondContact CG1-O 3.46Å; S157-T159 PolarHBondContact O-N 3.46Å; T159-S164 CarbonylContact C-O 3.14Å; T159-S164 WeakPolarHBondContact CA-O 3.31Å |
| 160 | N | 96.9 | Very high | 96.6 | Very high | 21 Ų | 21 | 37.4 Ų | 37.4 | 11% | 0.112 | 22% | 0.224 | C | C | . | . | trans | -88.3 | 178.8 | 171.2 | 68.9 | 6.4 | 0 | 0 | 0 | 111.6 | A149 Y150 D152 M162 G163 S164 A166 | A149-N160 WeakPolarHBondContact CB-ND2 3.39Å; Y150-N160 WeakPolarHBondContact O-CB 3.41Å; D152-N160 VanDerWaalsContact OD1-CA 3.28Å; D152-N160 WeakPolarHBondContact OD1-CA 3.41Å; D152-N160 VanDerWaalsContact OD1-CB 3.24Å; D152-N160 WeakPolarHBondContact OD1-CB 3.38Å; N160-M162 PolarHBondContact O-N 3.15Å; N160-M162 VanDerWaalsContact O-N 3.1Å; N160-M162 WeakPolarHBondContact OD1-CA 3.44Å; N160-M162 WeakPolarHBondContact OD1-CB 3.45Å; N160-M162 PolarHBondContact OD1-N 3.37Å; N160-G163 PolarHBondContact O-N 3.07Å; N160-G163 PolarHBondContact OD1-N 2.85Å; N160-G163 VanDerWaalsContact OD1-N 3.15Å; N160-S164 PolarHBondContact N-O 3.16Å; N160-S164 PolarHBondContact OD1-N 2.84Å; N160-S164 PolarHBondContact OD1-O 2.9Å; N160-A166 HydrophobicContact CB-CB 3.68Å | ||
| 161 | S | 95.7 | Very high | 96.5 | Very high | 48 Ų | 48 | 36.3 Ų | 36.3 | 34% | 0.336 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -20.6 | 175.6 | 56.9 | 0 | 0 | 0 | 0 | 114.2 | D152 | D152-S161 PolarHBondContact OD1-N 3.05Å; D152-S161 PolarHBondContact OD1-OG 2.94Å; D152-S161 WeakPolarHBondContact OD2-CB 3.22Å; D152-S161 PolarHBondContact OD2-OG 3.25Å |
| 162 | M | 95 | Very high | 96.6 | Very high | 155 Ų | 155 | 36.4 Ų | 36.4 | 76% | 0.764 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94 | 3.2 | 177.1 | -58.5 | -60.5 | -64 | 0 | 0 | 113.2 | N160 S164 | N160-M162 PolarHBondContact O-N 3.15Å; N160-M162 VanDerWaalsContact O-N 3.1Å; N160-M162 WeakPolarHBondContact OD1-CA 3.44Å; N160-M162 WeakPolarHBondContact OD1-CB 3.45Å; N160-M162 PolarHBondContact OD1-N 3.37Å; M162-S164 VanDerWaalsContact C-N 3.28Å; M162-S164 PolarHBondContact O-N 3.46Å |
| 163 | G | 95.7 | Very high | 96.7 | Very high | 57 Ų | 57 | 35.5 Ų | 35.5 | 59% | 0.588 | 22% | 0.215 | S | C | * | . | S | Bend | trans | 74.4 | 11.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115 | N160 | N160-G163 PolarHBondContact O-N 3.07Å; N160-G163 PolarHBondContact OD1-N 2.85Å; N160-G163 VanDerWaalsContact OD1-N 3.15Å |
| 164 | S | 97.2 | Very high | 96.8 | Very high | 62 Ų | 62 | 34.3 Ų | 34.3 | 43% | 0.434 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -87 | 152.7 | 176.2 | -57.6 | 0 | 0 | 0 | 0 | 111.3 | T159 N160 M162 A166 | T159-S164 CarbonylContact C-O 3.14Å; T159-S164 WeakPolarHBondContact CA-O 3.31Å; N160-S164 PolarHBondContact N-O 3.16Å; N160-S164 PolarHBondContact OD1-N 2.84Å; N160-S164 PolarHBondContact OD1-O 2.9Å; M162-S164 VanDerWaalsContact C-N 3.28Å; M162-S164 PolarHBondContact O-N 3.46Å; S164-A166 PolarHBondContact O-N 3.45Å |
| 165 | E | 98.5 | Very high | 96.9 | Very high | 95 Ų | 95 | 35.2 Ų | 35.2 | 44% | 0.444 | 21% | 0.213 | S | C | . | . | B | Isolated β-bridge | trans | -54.2 | 127.8 | 172.8 | -178.7 | 178.5 | -142.8 | 0 | 0 | 110.1 | K145 A148 A149 C158 Y167 | K145-E165 IonicContact NZ-OE1 2.83Å; K145-E165 PolarHBondContact NZ-OE1 3.15Å; K145-E165 IonicContact NZ-OE2 3.24Å; A148-E165 HydrophobicContact CB-CG 4.36Å; A149-E165 PolarHBondContact N-O 3.44Å; A149-E165 VanDerWaalsContact N-O 3.1Å; C158-E165 WeakPolarHBondContact O-CA 3.42Å; E165-Y167 HydrophobicContact CG-CE2 3.7Å; E165-Y167 PolarHBondContact OE1-OH 2.9Å |
| 166 | A | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 148.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A149 N151 C158 N160 S164 | A149-A166 HydrophobicContact CB-CB 4.01Å; A149-A166 CarbonylContact O-C 3.35Å; A149-A166 WeakPolarHBondContact O-CA 3.44Å; A149-A166 WeakPolarHBondContact O-CB 3.41Å; N151-A166 HydrophobicContact CB-CB 3.88Å; C158-A166 CarbonylContact C-O 3.55Å; C158-A166 WeakPolarHBondContact CA-O 3.41Å; C158-A166 WeakPolarHBondContact CB-O 3.24Å; C158-A166 PolarHBondContact O-N 2.96Å; C158-A166 VanDerWaalsContact O-O 3.1Å; N160-A166 HydrophobicContact CB-CB 3.68Å; S164-A166 PolarHBondContact O-N 3.45Å |
| 167 | Y | 98.5 | Very high | 97.3 | Very high | 11 Ų | 11 | 31.1 Ų | 31.1 | 4% | 0.043 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 145.3 | 178.5 | -60.8 | -83.6 | 0 | 0 | 0 | 110.8 | S95 V101 W141 K145 A148 A149 N151 C158 E165 Q171 L172 K175 | S95-Y167 WeakPolarHBondContact CB-O 3.36Å; S95-Y167 PolarHBondContact OG-O 2.61Å; V101-Y167 HydrophobicContact CG2-CD2 4.01Å; V101-Y167 HydrophobicContact CG2-CG 4.44Å; W141-Y167 HydrophobicContact CH2-CD1 4.47Å; W141-Y167 AromaticContact CH2-CE1 3.61Å; W141-Y167 HydrophobicContact CH2-CE1 3.61Å; W141-Y167 AromaticContact CH2-CZ 3.62Å; W141-Y167 WeakPolarHBondContact CH2-OH 3.41Å; W141-Y167 HydrophobicContact CZ3-CE1 4.38Å; K145-Y167 HydrophobicContact CB-CD2 4.33Å; K145-Y167 HydrophobicContact CB-CE2 4.13Å; K145-Y167 HydrophobicContact CD-CE2 3.82Å; K145-Y167 WeakPolarHBondContact CE-OH 3.34Å; K145-Y167 HydrophobicContact CG-CD2 4.4Å; K145-Y167 HydrophobicContact CG-CE2 3.8Å; A148-Y167 HydrophobicContact CB-CD2 3.93Å; A148-Y167 HydrophobicContact CB-CE2 4.13Å; A149-Y167 PolarHBondContact O-N 3.11Å; N151-Y167 PolarHBondContact N-O 3.23Å; N151-Y167 VanDerWaalsContact N-O 3.15Å; C158-Y167 HydrophobicContact CB-CD1 4.12Å; C158-Y167 HydrophobicContact CB-CE1 3.63Å; C158-Y167 VanDerWaalsContact SG-CE1 3.54Å; E165-Y167 HydrophobicContact CG-CE2 3.7Å; E165-Y167 PolarHBondContact OE1-OH 2.9Å; Y167-Q171 HydrophobicContact CD1-CG 4.33Å; Y167-L172 HydrophobicContact CD1-CD1 4.43Å; Y167-L172 HydrophobicContact CD2-CD1 4.28Å; Y167-L172 HydrophobicContact CG-CD1 4.03Å; Y167-K175 HydrophobicContact CE1-CB 4.41Å; Y167-K175 HydrophobicContact CE1-CG 4.47Å |
| 168 | Y | 97.5 | Very high | 97.4 | Very high | 4 Ų | 4 | 29.2 Ų | 29.2 | 2% | 0.016 | 17% | 0.171 | C | C | . | . | trans | -101.9 | 162 | 157.7 | 63.2 | -86 | 0 | 0 | 0 | 108.8 | N151 F154 C170 Q171 L172 G221 S222 | N151-Y168 HydrophobicContact CB-CD1 3.95Å; F154-Y168 HydrophobicContact CB-CD1 4.43Å; F154-Y168 HydrophobicContact CB-CE1 4.15Å; F154-Y168 AromaticContact CD1-CD1 3.95Å; F154-Y168 HydrophobicContact CD1-CD1 3.95Å; F154-Y168 HydrophobicContact CD1-CD2 4.25Å; F154-Y168 HydrophobicContact CD1-CE1 4.28Å; F154-Y168 AromaticContact CD1-CG 3.95Å; F154-Y168 HydrophobicContact CD1-CG 3.95Å; F154-Y168 HydrophobicContact CE1-CG 4.5Å; Y168-C170 WeakPolarHBondContact CD2-SG 3.26Å; Y168-C170 WeakPolarHBondContact CE2-SG 3.21Å; Y168-C170 PolarHBondContact O-N 3.29Å; Y168-Q171 HydrophobicContact CD1-CB 3.71Å; Y168-Q171 HydrophobicContact CD1-CG 4.45Å; Y168-Q171 HydrophobicContact CD2-CB 4.02Å; Y168-Q171 HydrophobicContact CE1-CB 3.47Å; Y168-Q171 VanDerWaalsContact CE1-CB 3.47Å; Y168-Q171 VanDerWaalsContact CE1-CD 3.49Å; Y168-Q171 HydrophobicContact CE1-CG 4.06Å; Y168-Q171 HydrophobicContact CE2-CB 3.79Å; Y168-Q171 HydrophobicContact CG-CB 3.98Å; Y168-Q171 VanDerWaalsContact CZ-CB 3.5Å; Y168-Q171 CarbonylContact O-C 3.58Å; Y168-Q171 WeakPolarHBondContact O-CB 3.11Å; Y168-Q171 PolarHBondContact O-N 2.86Å; Y168-L172 PolarHBondContact O-N 2.85Å; Y168-G221 WeakPolarHBondContact OH-CA 3.44Å; Y168-S222 WeakPolarHBondContact CE2-O 3.42Å; Y168-S222 VanDerWaalsContact CE2-OG 3.3Å; Y168-S222 WeakPolarHBondContact CE2-OG 3.4Å; Y168-S222 PolarHBondContact OH-N 2.86Å; Y168-S222 PolarHBondContact OH-OG 3.29Å | ||
| 169 | S | 97.7 | Very high | 97.5 | Very high | 6 Ų | 6 | 35.7 Ų | 35.7 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.9 | -49.7 | -162.5 | 50.6 | 0 | 0 | 0 | 0 | 116 | Q82 V83 Q171 L172 V173 | Q82-S169 PolarHBondContact OE1-OG 3.27Å; V83-S169 WeakPolarHBondContact O-CB 3.49Å; S169-Q171 VanDerWaalsContact C-N 3.32Å; S169-Q171 PolarHBondContact O-N 2.86Å; S169-L172 WeakPolarHBondContact O-CB 3.35Å; S169-L172 PolarHBondContact O-N 2.96Å; S169-V173 PolarHBondContact O-N 3.11Å; S169-V173 VanDerWaalsContact O-N 3.16Å |
| 170 | C | 96 | Very high | 97.6 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.014 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -70.5 | -27.2 | 177.3 | 38.8 | 0 | 0 | 0 | 0 | 113 | V83 Y168 R174 S222 L227 | V83-C170 HydrophobicContact CG1-CB 4.01Å; Y168-C170 WeakPolarHBondContact CD2-SG 3.26Å; Y168-C170 WeakPolarHBondContact CE2-SG 3.21Å; Y168-C170 PolarHBondContact O-N 3.29Å; C170-R174 PolarHBondContact O-N 2.94Å; C170-S222 WeakPolarHBondContact CB-OG 3.42Å; C170-S222 VanDerWaalsContact SG-C 3.54Å; C170-S222 PolarHBondContact SG-O 3.06Å; C170-S222 VanDerWaalsContact SG-O 3.36Å; C170-S222 PolarHBondContact SG-OG 3.4Å; C170-L227 HydrophobicContact CB-CD2 3.95Å |
| 171 | Q | 97.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.3 | -39.5 | 170.4 | -178.9 | 179.6 | 56.3 | 0 | 0 | 111.7 | N151 S155 Y167 Y168 S169 V173 R174 K175 S222 | N151-Q171 PolarHBondContact ND2-OE1 3.16Å; S155-Q171 PolarHBondContact O-NE2 2.68Å; Y167-Q171 HydrophobicContact CD1-CG 4.33Å; Y168-Q171 HydrophobicContact CD1-CB 3.71Å; Y168-Q171 HydrophobicContact CD1-CG 4.45Å; Y168-Q171 HydrophobicContact CD2-CB 4.02Å; Y168-Q171 HydrophobicContact CE1-CB 3.47Å; Y168-Q171 VanDerWaalsContact CE1-CB 3.47Å; Y168-Q171 VanDerWaalsContact CE1-CD 3.49Å; Y168-Q171 HydrophobicContact CE1-CG 4.06Å; Y168-Q171 HydrophobicContact CE2-CB 3.79Å; Y168-Q171 HydrophobicContact CG-CB 3.98Å; Y168-Q171 VanDerWaalsContact CZ-CB 3.5Å; Y168-Q171 CarbonylContact O-C 3.58Å; Y168-Q171 WeakPolarHBondContact O-CB 3.11Å; Y168-Q171 PolarHBondContact O-N 2.86Å; S169-Q171 VanDerWaalsContact C-N 3.32Å; S169-Q171 PolarHBondContact O-N 2.86Å; Q171-V173 VanDerWaalsContact C-N 3.32Å; Q171-V173 PolarHBondContact O-N 3.4Å; Q171-R174 PolarHBondContact O-N 3.06Å; Q171-K175 HydrophobicContact CG-CG 3.97Å; Q171-K175 VanDerWaalsContact O-CB 3.29Å; Q171-K175 WeakPolarHBondContact O-CB 3.47Å; Q171-K175 VanDerWaalsContact O-CG 3.3Å; Q171-K175 WeakPolarHBondContact O-CG 3.21Å; Q171-K175 PolarHBondContact O-N 3.07Å; Q171-S222 PolarHBondContact N-OG 3.17Å |
| 172 | L | 98.5 | Very high | 97.7 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.4 | -48.6 | 174.2 | -175.6 | 71.4 | 0 | 0 | 0 | 110.4 | V93 V101 W141 A142 K145 Y167 Y168 S169 S176 | V93-L172 HydrophobicContact CG2-CD2 4.42Å; V101-L172 HydrophobicContact CG1-CD1 4.32Å; V101-L172 HydrophobicContact CG1-CD2 3.98Å; V101-L172 HydrophobicContact CG2-CD1 4.14Å; V101-L172 HydrophobicContact CG2-CD2 4.45Å; W141-L172 HydrophobicContact CZ3-CD1 3.99Å; A142-L172 HydrophobicContact CB-CD1 4.38Å; A142-L172 HydrophobicContact CB-CD2 4.45Å; A142-L172 HydrophobicContact CB-CG 4.26Å; K145-L172 HydrophobicContact CB-CD1 4.01Å; K145-L172 HydrophobicContact CG-CD1 4.2Å; Y167-L172 HydrophobicContact CD1-CD1 4.43Å; Y167-L172 HydrophobicContact CD2-CD1 4.28Å; Y167-L172 HydrophobicContact CG-CD1 4.03Å; Y168-L172 PolarHBondContact O-N 2.85Å; S169-L172 WeakPolarHBondContact O-CB 3.35Å; S169-L172 PolarHBondContact O-N 2.96Å; L172-S176 VanDerWaalsContact O-CB 3.26Å; L172-S176 WeakPolarHBondContact O-CB 3.34Å; L172-S176 PolarHBondContact O-N 2.85Å; L172-S176 PolarHBondContact O-OG 2.89Å |
| 173 | V | 98.5 | Very high | 97.8 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.7 | -48.2 | 176.5 | 172.5 | 0 | 0 | 0 | 0 | 112 | L50 V83 V85 S169 Q171 S176 Y177 F186 L227 | L50-V173 HydrophobicContact CD1-CG1 3.76Å; L50-V173 HydrophobicContact CD2-CG1 3.8Å; L50-V173 HydrophobicContact CD2-CG2 4.02Å; L50-V173 HydrophobicContact CG-CG1 4.46Å; V83-V173 HydrophobicContact CG1-CG2 3.9Å; V83-V173 HydrophobicContact CG2-CG2 4.06Å; V85-V173 HydrophobicContact CG2-CG2 3.82Å; S169-V173 PolarHBondContact O-N 3.11Å; S169-V173 VanDerWaalsContact O-N 3.16Å; Q171-V173 VanDerWaalsContact C-N 3.32Å; Q171-V173 PolarHBondContact O-N 3.4Å; V173-S176 PolarHBondContact O-N 2.96Å; V173-S176 PolarHBondContact O-OG 2.83Å; V173-Y177 HydrophobicContact CG1-CD2 4.46Å; V173-Y177 WeakPolarHBondContact O-CD2 3.49Å; V173-Y177 PolarHBondContact O-N 2.76Å; V173-F186 HydrophobicContact CG1-CD2 4.02Å; V173-F186 HydrophobicContact CG1-CE2 3.64Å; V173-F186 HydrophobicContact CG1-CZ 4.34Å; V173-L227 HydrophobicContact CB-CD2 4.38Å; V173-L227 HydrophobicContact CG1-CD2 4.13Å |
| 174 | R | 97.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 33.7 Ų | 33.7 | 1% | 0.011 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.7 | -46.3 | -178.6 | -178.8 | 177.4 | 54.5 | 85.2 | 2.9 | 111.4 | E156 C170 Q171 S176 Y177 E178 F186 | E156-R174 IonicContact OE1-CZ 3.46Å; E156-R174 VanDerWaalsContact OE1-CZ 3.24Å; E156-R174 IonicContact OE1-NH1 3.05Å; E156-R174 PolarHBondContact OE1-NH1 3.25Å; E156-R174 IonicContact OE1-NH2 3.88Å; E156-R174 PolarHBondContact OE1-NH2 2.85Å; E156-R174 IonicContact OE2-CZ 3.26Å; E156-R174 IonicContact OE2-NH1 2.93Å; E156-R174 IonicContact OE2-NH2 2.8Å; E156-R174 PolarHBondContact OE2-NH2 2.81Å; C170-R174 PolarHBondContact O-N 2.94Å; Q171-R174 PolarHBondContact O-N 3.06Å; R174-S176 VanDerWaalsContact C-N 3.33Å; R174-S176 PolarHBondContact O-N 3.03Å; R174-Y177 PolarHBondContact O-N 3.48Å; R174-E178 IonicContact NH1-OE2 2.61Å; R174-E178 PolarHBondContact NH1-OE2 3.02Å; R174-E178 VanDerWaalsContact O-CB 3.25Å; R174-E178 WeakPolarHBondContact O-CB 3.43Å; R174-E178 PolarHBondContact O-N 3.47Å; R174-F186 HydrophobicContact CB-CB 4.41Å; R174-F186 WeakPolarHBondContact CD-O 3.31Å; R174-F186 HydrophobicContact CG-CB 4.2Å |
| 175 | K | 97.9 | Very high | 97.7 | Very high | 35 Ų | 35 | 31.4 Ų | 31.4 | 15% | 0.152 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.3 | -32.7 | -178.6 | -68.8 | -66.8 | 176.8 | -162.4 | 0 | 112.3 | W141 E156 Y167 Q171 E178 W179 | W141-K175 HydrophobicContact CH2-CB 3.59Å; W141-K175 HydrophobicContact CZ2-CB 4.38Å; W141-K175 HydrophobicContact CZ3-CB 3.99Å; E156-K175 WeakPolarHBondContact OE1-CE 3.41Å; E156-K175 IonicContact OE1-NZ 2.67Å; E156-K175 PolarHBondContact OE1-NZ 3.35Å; Y167-K175 HydrophobicContact CE1-CB 4.41Å; Y167-K175 HydrophobicContact CE1-CG 4.47Å; Q171-K175 HydrophobicContact CG-CG 3.97Å; Q171-K175 VanDerWaalsContact O-CB 3.29Å; Q171-K175 WeakPolarHBondContact O-CB 3.47Å; Q171-K175 VanDerWaalsContact O-CG 3.3Å; Q171-K175 WeakPolarHBondContact O-CG 3.21Å; Q171-K175 PolarHBondContact O-N 3.07Å; K175-E178 WeakPolarHBondContact CD-OE2 3.46Å; K175-E178 IonicContact NZ-OE1 2.9Å; K175-E178 IonicContact NZ-OE2 3.54Å; K175-E178 PolarHBondContact NZ-OE2 3.35Å; K175-W179 VanDerWaalsContact O-CB 3.27Å; K175-W179 WeakPolarHBondContact O-CB 3.33Å; K175-W179 PolarHBondContact O-N 3.01Å |
| 176 | S | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.4 | -44.1 | 175.5 | 71.2 | 0 | 0 | 0 | 0 | 112.1 | A138 W141 L172 V173 R174 A180 | A138-S176 WeakPolarHBondContact O-CB 3.37Å; W141-S176 VanDerWaalsContact CE3-CA 3.41Å; L172-S176 VanDerWaalsContact O-CB 3.26Å; L172-S176 WeakPolarHBondContact O-CB 3.34Å; L172-S176 PolarHBondContact O-N 2.85Å; L172-S176 PolarHBondContact O-OG 2.89Å; V173-S176 PolarHBondContact O-N 2.96Å; V173-S176 PolarHBondContact O-OG 2.83Å; R174-S176 VanDerWaalsContact C-N 3.33Å; R174-S176 PolarHBondContact O-N 3.03Å; S176-A180 PolarHBondContact O-N 3.36Å; S176-A180 VanDerWaalsContact O-N 3.11Å |
| 177 | Y | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -73 | -40.4 | 176.2 | -87.5 | -84.2 | 0 | 0 | 0 | 112.8 | G48 V127 Q130 K135 A138 V173 R174 W179 A180 T181 V185 F186 | G48-Y177 PolarHBondContact O-OH 3.4Å; V127-Y177 HydrophobicContact CB-CE1 4.26Å; V127-Y177 WeakPolarHBondContact CB-OH 3.32Å; V127-Y177 HydrophobicContact CG1-CD1 4.43Å; V127-Y177 HydrophobicContact CG1-CE1 3.75Å; V127-Y177 HydrophobicContact CG2-CE1 4.44Å; V127-Y177 HydrophobicContact CG2-CE2 3.97Å; V127-Y177 WeakPolarHBondContact CG2-OH 3.44Å; Q130-Y177 HydrophobicContact CB-CE1 4.38Å; Q130-Y177 HydrophobicContact CG-CD1 4.33Å; Q130-Y177 HydrophobicContact CG-CE1 4.03Å; K135-Y177 HydrophobicContact CG-CE1 4.21Å; K135-Y177 WeakPolarHBondContact CG-OH 3.48Å; A138-Y177 HydrophobicContact CB-CD1 4.11Å; A138-Y177 HydrophobicContact CB-CD2 3.96Å; A138-Y177 HydrophobicContact CB-CE1 4.13Å; A138-Y177 HydrophobicContact CB-CE2 3.99Å; A138-Y177 HydrophobicContact CB-CG 4.03Å; V173-Y177 HydrophobicContact CG1-CD2 4.46Å; V173-Y177 WeakPolarHBondContact O-CD2 3.49Å; V173-Y177 PolarHBondContact O-N 2.76Å; R174-Y177 PolarHBondContact O-N 3.48Å; Y177-W179 PolarHBondContact O-N 3.48Å; Y177-A180 PolarHBondContact O-N 3.1Å; Y177-T181 PolarHBondContact O-N 2.87Å; Y177-T181 PolarHBondContact O-OG1 3.21Å; Y177-V185 HydrophobicContact CD1-CG1 4.49Å; Y177-V185 HydrophobicContact CD1-CG2 4.19Å; Y177-V185 HydrophobicContact CG-CB 4.5Å; Y177-V185 HydrophobicContact CG-CG2 4.5Å; Y177-F186 HydrophobicContact CD2-CD2 4.49Å; Y177-F186 AromaticContact CD2-CE2 3.64Å; Y177-F186 HydrophobicContact CD2-CE2 3.64Å; Y177-F186 HydrophobicContact CD2-CZ 4.5Å; Y177-F186 HydrophobicContact CE2-CE2 4.19Å; Y177-F186 AromaticContact CG-CE2 3.94Å; Y177-F186 HydrophobicContact CG-CE2 3.94Å |
| 178 | E | 97.8 | Very high | 96.9 | Very high | 55 Ų | 55 | 32.5 Ų | 32.5 | 26% | 0.257 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -58.4 | -38.5 | 174.2 | -173.5 | -178.3 | 165.7 | 0 | 0 | 111.5 | R174 K175 G182 S183 P184 | R174-E178 IonicContact NH1-OE2 2.61Å; R174-E178 PolarHBondContact NH1-OE2 3.02Å; R174-E178 VanDerWaalsContact O-CB 3.25Å; R174-E178 WeakPolarHBondContact O-CB 3.43Å; R174-E178 PolarHBondContact O-N 3.47Å; K175-E178 WeakPolarHBondContact CD-OE2 3.46Å; K175-E178 IonicContact NZ-OE1 2.9Å; K175-E178 IonicContact NZ-OE2 3.54Å; K175-E178 PolarHBondContact NZ-OE2 3.35Å; E178-G182 CarbonylContact O-C 3.6Å; E178-G182 WeakPolarHBondContact O-CA 3.4Å; E178-G182 PolarHBondContact O-N 3.38Å; E178-S183 PolarHBondContact O-N 3.01Å; E178-P184 HydrophobicContact CG-CG 4.49Å |
| 179 | W | 98.3 | Very high | 96.3 | Very high | 151 Ų | 151 | 34.2 Ų | 34.2 | 57% | 0.572 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -67.3 | -46.1 | 174.6 | -177.2 | 89.2 | 0 | 0 | 0 | 112.3 | E137 W141 K175 Y177 T181 | E137-W179 HydrophobicContact CB-CZ3 4.29Å; W141-W179 HydrophobicContact CB-CD2 4.23Å; W141-W179 HydrophobicContact CB-CE3 3.79Å; W141-W179 HydrophobicContact CB-CZ3 4.22Å; W141-W179 AromaticContact CD1-CD1 3.59Å; W141-W179 AromaticContact CD1-CD2 3.16Å; W141-W179 AromaticContact CD1-CE2 3.47Å; W141-W179 VanDerWaalsContact CD1-CE2 3.47Å; W141-W179 AromaticContact CD1-CE3 3.63Å; W141-W179 AromaticContact CD1-CG 3.27Å; W141-W179 AromaticContact CD1-NE1 3.69Å; W141-W179 HydrophobicContact CD2-CB 4.36Å; W141-W179 HydrophobicContact CD2-CG 4.47Å; W141-W179 HydrophobicContact CG-CB 4.19Å; W141-W179 AromaticContact CG-CD2 3.85Å; W141-W179 HydrophobicContact CG-CD2 3.85Å; W141-W179 AromaticContact CG-CE3 3.94Å; W141-W179 HydrophobicContact CG-CE3 3.94Å; W141-W179 AromaticContact CG-CG 3.96Å; W141-W179 HydrophobicContact CG-CG 3.96Å; W141-W179 AromaticContact NE1-CD1 3.32Å; W141-W179 VanDerWaalsContact NE1-CD1 3.32Å; W141-W179 AromaticContact NE1-CD2 3.76Å; W141-W179 AromaticContact NE1-CE2 3.99Å; W141-W179 AromaticContact NE1-CG 3.33Å; W141-W179 VanDerWaalsContact NE1-CG 3.33Å; W141-W179 AromaticContact NE1-NE1 3.7Å; K175-W179 VanDerWaalsContact O-CB 3.27Å; K175-W179 WeakPolarHBondContact O-CB 3.33Å; K175-W179 PolarHBondContact O-N 3.01Å; Y177-W179 PolarHBondContact O-N 3.48Å; W179-T181 PolarHBondContact O-N 3.26Å |
| 180 | A | 98.4 | Very high | 95.9 | Very high | 18 Ų | 18 | 38 Ų | 38 | 15% | 0.149 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.6 | -35 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | T134 E137 A138 S176 Y177 | T134-A180 HydrophobicContact CG2-CB 4.06Å; E137-A180 HydrophobicContact CB-CB 3.92Å; A138-A180 HydrophobicContact CB-CB 3.99Å; S176-A180 PolarHBondContact O-N 3.36Å; S176-A180 VanDerWaalsContact O-N 3.11Å; Y177-A180 PolarHBondContact O-N 3.1Å |
| 181 | T | 97.9 | Very high | 95.6 | Very high | 45 Ų | 45 | 39 Ų | 39 | 28% | 0.276 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -98.2 | -12.8 | -178.9 | 62.2 | 0 | 0 | 0 | 0 | 113.7 | T134 Y177 W179 S183 V185 | T134-T181 HydrophobicContact CG2-CG2 3.52Å; Y177-T181 PolarHBondContact O-N 2.87Å; Y177-T181 PolarHBondContact O-OG1 3.21Å; W179-T181 PolarHBondContact O-N 3.26Å; T181-S183 PolarHBondContact O-N 3.33Å; T181-S183 PolarHBondContact OG1-N 2.78Å; T181-S183 VanDerWaalsContact OG1-N 3.13Å; T181-S183 PolarHBondContact OG1-O 2.9Å; T181-V185 HydrophobicContact CG2-CG2 3.7Å |
| 182 | G | 97.4 | Very high | 95.3 | Very high | 69 Ų | 69 | 41.7 Ų | 41.7 | 71% | 0.711 | 25% | 0.253 | S | S | * | . | S | Bend | trans | 68.2 | 8.3 | -168.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | E178 | E178-G182 CarbonylContact O-C 3.6Å; E178-G182 WeakPolarHBondContact O-CA 3.4Å; E178-G182 PolarHBondContact O-N 3.38Å |
| 183 | S | 96.3 | Very high | 95.1 | Very high | 63 Ų | 63 | 42.2 Ų | 42.2 | 44% | 0.441 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -150.4 | 152.1 | -179.5 | 58.7 | 0 | 0 | 0 | 0 | 112.9 | E178 T181 V185 | E178-S183 PolarHBondContact O-N 3.01Å; T181-S183 PolarHBondContact O-N 3.33Å; T181-S183 PolarHBondContact OG1-N 2.78Å; T181-S183 VanDerWaalsContact OG1-N 3.13Å; T181-S183 PolarHBondContact OG1-O 2.9Å; S183-V185 PolarHBondContact O-N 2.96Å; S183-V185 VanDerWaalsContact O-N 3.1Å |
| 184 | P | 95.5 | Very high | 94.8 | Very high | 86 Ų | 86 | 44.8 Ų | 44.8 | 56% | 0.558 | 27% | 0.269 | S | S | * | . | trans | -62.2 | 116.6 | -178.2 | -24.3 | 34.7 | 0 | 0 | 0 | 113 | E178 | E178-P184 HydrophobicContact CG-CG 4.49Š| ||
| 185 | V | 97.2 | Very high | 94.4 | Very high | 14 Ų | 14 | 47.2 Ų | 47.2 | 9% | 0.085 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -82.6 | -38.5 | 169.3 | 176.6 | 0 | 0 | 0 | 0 | 110.9 | Y177 T181 S183 N232 | Y177-V185 HydrophobicContact CD1-CG1 4.49Å; Y177-V185 HydrophobicContact CD1-CG2 4.19Å; Y177-V185 HydrophobicContact CG-CB 4.5Å; Y177-V185 HydrophobicContact CG-CG2 4.5Å; T181-V185 HydrophobicContact CG2-CG2 3.7Å; S183-V185 PolarHBondContact O-N 2.96Å; S183-V185 VanDerWaalsContact O-N 3.1Å; V185-N232 HydrophobicContact CG1-CB 4.34Å; V185-N232 PolarHBondContact O-ND2 3.37Å |
| 186 | F | 96.6 | Very high | 93.8 | Very high | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.009 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -106.3 | 134.5 | 178.6 | -59.4 | -71 | 0 | 0 | 0 | 110.7 | L50 V127 V173 R174 Y177 L227 N232 L233 | L50-F186 HydrophobicContact CD1-CZ 4.06Å; V127-F186 HydrophobicContact CG1-CZ 4.08Å; V127-F186 HydrophobicContact CG2-CZ 4.1Å; V173-F186 HydrophobicContact CG1-CD2 4.02Å; V173-F186 HydrophobicContact CG1-CE2 3.64Å; V173-F186 HydrophobicContact CG1-CZ 4.34Å; R174-F186 HydrophobicContact CB-CB 4.41Å; R174-F186 WeakPolarHBondContact CD-O 3.31Å; R174-F186 HydrophobicContact CG-CB 4.2Å; Y177-F186 HydrophobicContact CD2-CD2 4.49Å; Y177-F186 AromaticContact CD2-CE2 3.64Å; Y177-F186 HydrophobicContact CD2-CE2 3.64Å; Y177-F186 HydrophobicContact CD2-CZ 4.5Å; Y177-F186 HydrophobicContact CE2-CE2 4.19Å; Y177-F186 AromaticContact CG-CE2 3.94Å; Y177-F186 HydrophobicContact CG-CE2 3.94Å; F186-L227 HydrophobicContact CB-CD1 3.72Å; F186-L227 HydrophobicContact CD1-CD1 3.46Å; F186-L227 VanDerWaalsContact CD1-CD1 3.46Å; F186-L227 HydrophobicContact CD2-CD1 4.29Å; F186-L227 HydrophobicContact CE1-CD1 4.12Å; F186-L227 HydrophobicContact CG-CD1 3.55Å; F186-N232 HydrophobicContact CE1-CB 4.32Å; F186-L233 HydrophobicContact CE1-CD1 4.4Å; F186-L233 HydrophobicContact CE1-CD2 3.87Å; F186-L233 HydrophobicContact CE1-CG 4Å; F186-L233 HydrophobicContact CZ-CD2 4.03Å |
| 187 | A | 90.3 | Very high | 93.4 | Very high | 69 Ų | 69 | 59.4 Ų | 59.4 | 57% | 0.57 | 34% | 0.343 | S | S | * | . | trans | -63.2 | 138.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 188 | V | 90.3 | Very high | 92.9 | Very high | 58 Ų | 58 | 61.7 Ų | 61.7 | 35% | 0.352 | 37% | 0.367 | S | S | . | . | trans | -74.2 | 141.5 | 166.3 | -177.7 | 0 | 0 | 0 | 0 | 108.7 | Y220 | V188-Y220 HydrophobicContact CG1-CD1 3.6Å; V188-Y220 HydrophobicContact CG1-CG 3.87Å | ||
| 189 | Q | 86.4 | Confident | 92.7 | Very high | 41 Ų | 41 | 62.4 Ų | 62.4 | 19% | 0.192 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 151.4 | -176.8 | -65.2 | 166.7 | -4.7 | 0 | 0 | 110 | L191 G221 | Q189-L191 PolarHBondContact O-N 2.82Å; Q189-G221 PolarHBondContact N-O 2.9Å; Q189-G221 CarbonylContact O-C 3.48Å; Q189-G221 PolarHBondContact O-N 3.17Å; Q189-G221 VanDerWaalsContact O-O 3.06Å |
| 190 | P | 87.9 | Confident | 92.5 | Very high | 85 Ų | 85 | 59 Ų | 59 | 55% | 0.552 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 133.3 | 170.1 | -23 | 33.8 | 0 | 0 | 0 | 110.7 | G219 | P190-G219 WeakPolarHBondContact CA-O 3.28Å |
| 191 | L | 91 | Very high | 92.3 | Very high | 23 Ų | 23 | 58.6 Ų | 58.6 | 12% | 0.12 | 36% | 0.363 | C | S | . | . | trans | -59.8 | 139.7 | 166.1 | -69.7 | 173.7 | 0 | 0 | 0 | 108.9 | F154 Q189 F193 P216 G219 | F154-L191 HydrophobicContact CB-CD1 4.09Å; F154-L191 HydrophobicContact CB-CD2 4.07Å; Q189-L191 PolarHBondContact O-N 2.82Å; L191-F193 HydrophobicContact CB-CD2 4.41Å; L191-F193 HydrophobicContact CB-CE2 3.6Å; L191-F193 HydrophobicContact CB-CZ 4.11Å; L191-F193 HydrophobicContact CD1-CE2 4.09Å; L191-F193 HydrophobicContact CD1-CZ 4.16Å; L191-F193 HydrophobicContact CD2-CZ 4.31Å; L191-F193 HydrophobicContact CG-CE2 4.32Å; L191-F193 HydrophobicContact CG-CZ 4.44Å; L191-P216 HydrophobicContact CD1-CB 4.48Å; L191-P216 HydrophobicContact CD1-CG 4.16Å; L191-G219 PolarHBondContact N-O 3.48Å | ||
| 192 | N | 91 | Very high | 92.2 | Very high | 56 Ų | 56 | 60.3 Ų | 60.3 | 30% | 0.299 | 38% | 0.377 | S | S | . | . | trans | -136.4 | 119.3 | 178.7 | -175.4 | 8.7 | 0 | 0 | 0 | 109.3 | S73 N194 R226 | S73-N192 VanDerWaalsContact CB-O 3.31Å; S73-N192 WeakPolarHBondContact CB-O 3.08Å; S73-N192 PolarHBondContact OG-O 3.25Å; N192-N194 VanDerWaalsContact OD1-CB 3.29Å; N192-N194 WeakPolarHBondContact OD1-CB 2.72Å; N192-N194 PolarHBondContact OD1-N 2.74Å; N192-R226 PolarHBondContact ND2-NH2 3.41Å | ||
| 193 | F | 93.6 | Very high | 92.2 | Very high | 12 Ų | 12 | 59.4 Ų | 59.4 | 5% | 0.053 | 35% | 0.352 | C | S | . | . | trans | -115.4 | 11.1 | 179.2 | -59.5 | -75.6 | 0 | 0 | 0 | 111.5 | F154 L191 L200 N201 W204 F208 V215 P216 | F154-F193 HydrophobicContact CB-CZ 4.49Å; F154-F193 AromaticContact CD2-CE1 3.86Å; F154-F193 HydrophobicContact CD2-CE1 3.86Å; F154-F193 AromaticContact CD2-CZ 3.85Å; F154-F193 HydrophobicContact CD2-CZ 3.85Å; F154-F193 AromaticContact CE2-CE1 3.93Å; F154-F193 HydrophobicContact CE2-CE1 3.93Å; F154-F193 HydrophobicContact CE2-CZ 4.4Å; F154-F193 HydrophobicContact CG-CZ 4.3Å; L191-F193 HydrophobicContact CB-CD2 4.41Å; L191-F193 HydrophobicContact CB-CE2 3.6Å; L191-F193 HydrophobicContact CB-CZ 4.11Å; L191-F193 HydrophobicContact CD1-CE2 4.09Å; L191-F193 HydrophobicContact CD1-CZ 4.16Å; L191-F193 HydrophobicContact CD2-CZ 4.31Å; L191-F193 HydrophobicContact CG-CE2 4.32Å; L191-F193 HydrophobicContact CG-CZ 4.44Å; F193-L200 HydrophobicContact CB-CD1 3.77Å; F193-N201 VanDerWaalsContact O-CB 3.26Å; F193-N201 WeakPolarHBondContact O-CB 3.49Å; F193-N201 PolarHBondContact O-N 2.94Å; F193-W204 HydrophobicContact CB-CB 4.05Å; F193-W204 HydrophobicContact CB-CG 3.85Å; F193-W204 HydrophobicContact CD1-CB 4.24Å; F193-W204 AromaticContact CD1-CD1 3.66Å; F193-W204 AromaticContact CD1-CD2 3.57Å; F193-W204 HydrophobicContact CD1-CD2 3.57Å; F193-W204 AromaticContact CD1-CE2 3.71Å; F193-W204 HydrophobicContact CD1-CE3 4.12Å; F193-W204 AromaticContact CD1-CG 3.59Å; F193-W204 HydrophobicContact CD1-CG 3.59Å; F193-W204 HydrophobicContact CD1-CZ2 4.39Å; F193-W204 AromaticContact CD1-NE1 3.76Å; F193-W204 HydrophobicContact CE1-CD2 4.19Å; F193-W204 HydrophobicContact CE1-CE3 4.31Å; F193-W204 HydrophobicContact CG-CB 4.43Å; F193-W204 HydrophobicContact CG-CG 4.12Å; F193-F208 HydrophobicContact CD1-CE2 4.32Å; F193-F208 AromaticContact CE1-CE2 3.94Å; F193-F208 HydrophobicContact CE1-CE2 3.94Å; F193-F208 HydrophobicContact CE1-CZ 4.33Å; F193-F208 HydrophobicContact CZ-CE2 4.04Å; F193-F208 HydrophobicContact CZ-CZ 4.07Å; F193-V215 HydrophobicContact CB-CG1 3.8Å; F193-V215 HydrophobicContact CD2-CG1 3.46Å; F193-V215 VanDerWaalsContact CD2-CG1 3.46Å; F193-V215 HydrophobicContact CE2-CG1 4.17Å; F193-V215 HydrophobicContact CG-CG1 3.69Å; F193-P216 HydrophobicContact CE2-CG 3.69Å; F193-P216 HydrophobicContact CZ-CG 4.1Å | ||
| 194 | N | 91.7 | Very high | 92.2 | Very high | 56 Ų | 56 | 56.6 Ų | 56.6 | 30% | 0.299 | 33% | 0.332 | S | S | . | . | B | Isolated β-bridge | trans | -88.2 | 151.6 | -179.8 | -59.3 | -20.5 | 0 | 0 | 0 | 110.7 | N192 G198 T199 L200 | N192-N194 VanDerWaalsContact OD1-CB 3.29Å; N192-N194 WeakPolarHBondContact OD1-CB 2.72Å; N192-N194 PolarHBondContact OD1-N 2.74Å; N194-G198 PolarHBondContact ND2-O 3.13Å; N194-T199 CarbonylContact C-O 3.6Å; N194-T199 WeakPolarHBondContact CA-O 3.5Å; N194-T199 WeakPolarHBondContact CB-O 3.42Å; N194-L200 WeakPolarHBondContact OD1-CA 3.3Å |
| 195 | L | 89.5 | Confident | 92.3 | Very high | 53 Ų | 53 | 55.7 Ų | 55.7 | 28% | 0.277 | 33% | 0.325 | S | S | . | . | trans | -66.3 | 168.3 | 162.5 | -60.5 | 176.2 | 0 | 0 | 0 | 110.3 | E72 N197 G198 T199 N201 | E72-L195 HydrophobicContact CB-CD2 4.07Å; E72-L195 HydrophobicContact CG-CD2 4.47Å; L195-N197 WeakPolarHBondContact CB-OD1 3.03Å; L195-N197 PolarHBondContact O-N 3.49Å; L195-N197 VanDerWaalsContact O-N 3.16Å; L195-G198 PolarHBondContact O-N 3.36Å; L195-T199 PolarHBondContact N-O 3.05Å; L195-N201 HydrophobicContact CD2-CB 4.06Å; L195-N201 HydrophobicContact CG-CB 4.21Å | ||
| 196 | E | 86.1 | Confident | 92.3 | Very high | 174 Ų | 174 | 60.8 Ų | 60.8 | 81% | 0.813 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -32.8 | 178.5 | -173 | 176.1 | -173.3 | 0 | 0 | 113.1 | G198 | E196-G198 PolarHBondContact O-N 2.97Š|
| 197 | N | 89.2 | Confident | 92.3 | Very high | 117 Ų | 117 | 61.4 Ų | 61.4 | 63% | 0.626 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | 3.4 | 176.8 | 70.2 | 4 | 0 | 0 | 0 | 114.2 | L195 T199 | L195-N197 WeakPolarHBondContact CB-OD1 3.03Å; L195-N197 PolarHBondContact O-N 3.49Å; L195-N197 VanDerWaalsContact O-N 3.16Å; N197-T199 VanDerWaalsContact C-N 3.33Å; N197-T199 PolarHBondContact ND2-OG1 3.22Å; N197-T199 PolarHBondContact O-N 2.92Å; N197-T199 WeakPolarHBondContact OD1-CB 3.13Å; N197-T199 PolarHBondContact OD1-N 3.28Å; N197-T199 PolarHBondContact OD1-OG1 3.19Å |
| 198 | G | 89.3 | Confident | 92.6 | Very high | 48 Ų | 48 | 58.3 Ų | 58.3 | 50% | 0.495 | 32% | 0.324 | S | S | . | . | S | Bend | trans | 83.1 | -3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | N194 L195 E196 | N194-G198 PolarHBondContact ND2-O 3.13Å; L195-G198 PolarHBondContact O-N 3.36Å; E196-G198 PolarHBondContact O-N 2.97Å |
| 199 | T | 93.2 | Very high | 92.9 | Very high | 71 Ų | 71 | 58.5 Ų | 58.5 | 44% | 0.436 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -80 | 145 | 175.8 | 62.9 | 0 | 0 | 0 | 0 | 111.4 | N194 L195 N197 N201 | N194-T199 CarbonylContact C-O 3.6Å; N194-T199 WeakPolarHBondContact CA-O 3.5Å; N194-T199 WeakPolarHBondContact CB-O 3.42Å; L195-T199 PolarHBondContact N-O 3.05Å; N197-T199 VanDerWaalsContact C-N 3.33Å; N197-T199 PolarHBondContact ND2-OG1 3.22Å; N197-T199 PolarHBondContact O-N 2.92Å; N197-T199 WeakPolarHBondContact OD1-CB 3.13Å; N197-T199 PolarHBondContact OD1-N 3.28Å; N197-T199 PolarHBondContact OD1-OG1 3.19Å; T199-N201 PolarHBondContact O-N 2.75Å |
| 200 | L | 93.9 | Very high | 93.4 | Very high | 80 Ų | 80 | 64 Ų | 64 | 42% | 0.419 | 36% | 0.357 | S | S | . | . | B | Isolated β-bridge | trans | -65.9 | 128.9 | 178.2 | -179.1 | 60.5 | 0 | 0 | 0 | 110.4 | F193 N194 S202 V205 V215 | F193-L200 HydrophobicContact CB-CD1 3.77Å; N194-L200 WeakPolarHBondContact OD1-CA 3.3Å; L200-S202 PolarHBondContact O-N 2.66Å; L200-V205 HydrophobicContact CD2-CG2 3.48Å; L200-V205 VanDerWaalsContact CD2-CG2 3.48Å; L200-V205 HydrophobicContact CG-CG2 3.78Å; L200-V215 HydrophobicContact CD1-CB 4.42Å; L200-V215 HydrophobicContact CD1-CG1 3.96Å; L200-V215 HydrophobicContact CD1-CG2 4.34Å; L200-V215 HydrophobicContact CD2-CB 4.34Å; L200-V215 HydrophobicContact CD2-CG2 4.04Å |
| 201 | N | 94.4 | Very high | 93.7 | Very high | 9 Ų | 9 | 63.5 Ų | 63.5 | 5% | 0.048 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 125.9 | 178.9 | -170.8 | -29.8 | 0 | 0 | 0 | 109.9 | E72 F193 L195 T199 Y203 W204 V205 | E72-N201 PolarHBondContact OE2-ND2 2.8Å; F193-N201 VanDerWaalsContact O-CB 3.26Å; F193-N201 WeakPolarHBondContact O-CB 3.49Å; F193-N201 PolarHBondContact O-N 2.94Å; L195-N201 HydrophobicContact CD2-CB 4.06Å; L195-N201 HydrophobicContact CG-CB 4.21Å; T199-N201 PolarHBondContact O-N 2.75Å; N201-Y203 PolarHBondContact O-N 3.26Å; N201-Y203 WeakPolarHBondContact OD1-CB 3.47Å; N201-Y203 PolarHBondContact OD1-N 2.88Å; N201-W204 PolarHBondContact O-N 2.89Å; N201-V205 PolarHBondContact O-N 3.28Å |
| 202 | S | 96 | Very high | 93.9 | Very high | 80 Ų | 80 | 65.8 Ų | 65.8 | 56% | 0.559 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -59.4 | -30.8 | -179.1 | 52.6 | 0 | 0 | 0 | 0 | 112.8 | L200 W204 V205 E206 | L200-S202 PolarHBondContact O-N 2.66Å; S202-W204 VanDerWaalsContact C-N 3.3Å; S202-W204 PolarHBondContact O-N 3.4Å; S202-V205 WeakPolarHBondContact O-CB 3.04Å; S202-V205 PolarHBondContact O-N 3.36Å; S202-E206 PolarHBondContact O-N 3Å; S202-E206 VanDerWaalsContact O-N 3.07Å |
| 203 | Y | 96.7 | Very high | 94.1 | Very high | 50 Ų | 50 | 66.5 Ų | 66.5 | 20% | 0.196 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -56.3 | -46.7 | 174.7 | 175.7 | -92.2 | 0 | 0 | 0 | 111.3 | F66 A69 N201 V205 E206 Y207 | F66-Y203 VanDerWaalsContact CA-OH 3.31Å; F66-Y203 WeakPolarHBondContact CA-OH 3.4Å; F66-Y203 WeakPolarHBondContact CB-OH 3.32Å; F66-Y203 HydrophobicContact CD2-CE1 4.33Å; A69-Y203 HydrophobicContact CB-CD1 3.2Å; A69-Y203 HydrophobicContact CB-CE1 3.78Å; A69-Y203 HydrophobicContact CB-CG 3.74Å; N201-Y203 PolarHBondContact O-N 3.26Å; N201-Y203 WeakPolarHBondContact OD1-CB 3.47Å; N201-Y203 PolarHBondContact OD1-N 2.88Å; Y203-V205 VanDerWaalsContact C-N 3.33Å; Y203-V205 PolarHBondContact O-N 3.26Å; Y203-E206 PolarHBondContact O-N 3.47Å; Y203-Y207 HydrophobicContact CE1-CD2 4.01Å; Y203-Y207 HydrophobicContact CE1-CG 4.25Å; Y203-Y207 AromaticContact CZ-CD2 3.99Å; Y203-Y207 WeakPolarHBondContact O-CB 3.35Å; Y203-Y207 PolarHBondContact O-N 2.92Å |
| 204 | W | 96.6 | Very high | 94.1 | Very high | 4 Ų | 4 | 71 Ų | 71 | 2% | 0.015 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -68.2 | -35.1 | -179.3 | -67.2 | 126.7 | 0 | 0 | 0 | 111.7 | F66 A69 V70 F154 F193 N201 S202 Y207 F208 V215 | F66-W204 HydrophobicContact CD2-CH2 4.1Å; F66-W204 HydrophobicContact CD2-CZ3 4.29Å; F66-W204 AromaticContact CE2-CH2 3.69Å; F66-W204 HydrophobicContact CE2-CH2 3.69Å; F66-W204 AromaticContact CE2-CZ3 3.9Å; F66-W204 HydrophobicContact CE2-CZ3 3.9Å; F66-W204 HydrophobicContact CZ-CH2 4.08Å; A69-W204 HydrophobicContact CB-CD2 4.42Å; A69-W204 HydrophobicContact CB-CZ2 3.72Å; V70-W204 HydrophobicContact CG2-CH2 4.05Å; V70-W204 HydrophobicContact CG2-CZ2 3.93Å; F154-W204 HydrophobicContact CE2-CE3 4.41Å; F154-W204 HydrophobicContact CE2-CH2 4.06Å; F154-W204 AromaticContact CE2-CZ3 3.68Å; F154-W204 HydrophobicContact CE2-CZ3 3.68Å; F154-W204 AromaticContact CZ-CH2 3.75Å; F154-W204 HydrophobicContact CZ-CH2 3.75Å; F154-W204 AromaticContact CZ-CZ3 3.82Å; F154-W204 HydrophobicContact CZ-CZ3 3.82Å; F193-W204 HydrophobicContact CB-CB 4.05Å; F193-W204 HydrophobicContact CB-CG 3.85Å; F193-W204 HydrophobicContact CD1-CB 4.24Å; F193-W204 AromaticContact CD1-CD1 3.66Å; F193-W204 AromaticContact CD1-CD2 3.57Å; F193-W204 HydrophobicContact CD1-CD2 3.57Å; F193-W204 AromaticContact CD1-CE2 3.71Å; F193-W204 HydrophobicContact CD1-CE3 4.12Å; F193-W204 AromaticContact CD1-CG 3.59Å; F193-W204 HydrophobicContact CD1-CG 3.59Å; F193-W204 HydrophobicContact CD1-CZ2 4.39Å; F193-W204 AromaticContact CD1-NE1 3.76Å; F193-W204 HydrophobicContact CE1-CD2 4.19Å; F193-W204 HydrophobicContact CE1-CE3 4.31Å; F193-W204 HydrophobicContact CG-CB 4.43Å; F193-W204 HydrophobicContact CG-CG 4.12Å; N201-W204 PolarHBondContact O-N 2.89Å; S202-W204 VanDerWaalsContact C-N 3.3Å; S202-W204 PolarHBondContact O-N 3.4Å; W204-Y207 AromaticContact CE3-CD1 3.79Å; W204-Y207 HydrophobicContact CE3-CD1 3.79Å; W204-Y207 HydrophobicContact CE3-CE1 4.31Å; W204-Y207 AromaticContact CE3-CG 3.99Å; W204-Y207 HydrophobicContact CE3-CG 3.99Å; W204-Y207 AromaticContact CZ3-CD1 3.91Å; W204-Y207 HydrophobicContact CZ3-CD1 3.91Å; W204-Y207 HydrophobicContact CZ3-CD2 4.38Å; W204-Y207 HydrophobicContact CZ3-CE1 4.01Å; W204-Y207 HydrophobicContact CZ3-CE2 4.47Å; W204-Y207 HydrophobicContact CZ3-CG 4.11Å; W204-Y207 PolarHBondContact O-N 3.1Å; W204-F208 HydrophobicContact CE3-CE2 4.3Å; W204-F208 WeakPolarHBondContact O-CB 3.49Å; W204-F208 VanDerWaalsContact O-CD2 3.3Å; W204-F208 WeakPolarHBondContact O-CD2 3.31Å; W204-F208 PolarHBondContact O-N 3.03Å; W204-V215 HydrophobicContact CB-CG2 4.39Å |
| 205 | V | 96.6 | Very high | 94.3 | Very high | 68 Ų | 68 | 69.2 Ų | 69.2 | 41% | 0.412 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58.1 | -51.4 | 174.1 | 180 | 0 | 0 | 0 | 0 | 110.8 | L200 N201 S202 Y203 A209 V215 | L200-V205 HydrophobicContact CD2-CG2 3.48Å; L200-V205 VanDerWaalsContact CD2-CG2 3.48Å; L200-V205 HydrophobicContact CG-CG2 3.78Å; N201-V205 PolarHBondContact O-N 3.28Å; S202-V205 WeakPolarHBondContact O-CB 3.04Å; S202-V205 PolarHBondContact O-N 3.36Å; Y203-V205 VanDerWaalsContact C-N 3.33Å; Y203-V205 PolarHBondContact O-N 3.26Å; V205-A209 VanDerWaalsContact O-CB 3.23Å; V205-A209 WeakPolarHBondContact O-CB 3.43Å; V205-A209 PolarHBondContact O-N 2.78Å; V205-V215 HydrophobicContact CG2-CG2 4.42Å |
| 206 | E | 97.5 | Very high | 94.4 | Very high | 121 Ų | 121 | 68.5 Ų | 68.5 | 57% | 0.565 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -65.5 | -43.4 | 178.8 | -68.4 | 176.2 | -167.1 | 0 | 0 | 111.8 | S202 Y203 F208 A209 Q210 | S202-E206 PolarHBondContact O-N 3Å; S202-E206 VanDerWaalsContact O-N 3.07Å; Y203-E206 PolarHBondContact O-N 3.47Å; E206-F208 PolarHBondContact O-N 3.44Å; E206-A209 PolarHBondContact O-N 3.34Å; E206-Q210 WeakPolarHBondContact O-CG 3.41Å; E206-Q210 PolarHBondContact O-N 2.85Å |
| 207 | Y | 97.2 | Very high | 94.2 | Very high | 15 Ų | 15 | 67 Ų | 67 | 6% | 0.059 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -59.5 | -43.3 | -179.1 | 175.9 | -84.9 | 0 | 0 | 0 | 112.5 | F66 D152 F154 Y203 W204 R211 | F66-Y207 AromaticContact CD2-CE2 3.95Å; F66-Y207 HydrophobicContact CD2-CE2 3.95Å; F66-Y207 HydrophobicContact CE2-CE2 4.02Å; D152-Y207 WeakPolarHBondContact CA-OH 3.16Å; D152-Y207 WeakPolarHBondContact CB-OH 3.25Å; D152-Y207 WeakPolarHBondContact O-CE1 3.28Å; D152-Y207 VanDerWaalsContact O-CZ 3.3Å; D152-Y207 PolarHBondContact O-OH 2.76Å; F154-Y207 HydrophobicContact CE2-CE1 4.19Å; Y203-Y207 HydrophobicContact CE1-CD2 4.01Å; Y203-Y207 HydrophobicContact CE1-CG 4.25Å; Y203-Y207 AromaticContact CZ-CD2 3.99Å; Y203-Y207 WeakPolarHBondContact O-CB 3.35Å; Y203-Y207 PolarHBondContact O-N 2.92Å; W204-Y207 AromaticContact CE3-CD1 3.79Å; W204-Y207 HydrophobicContact CE3-CD1 3.79Å; W204-Y207 HydrophobicContact CE3-CE1 4.31Å; W204-Y207 AromaticContact CE3-CG 3.99Å; W204-Y207 HydrophobicContact CE3-CG 3.99Å; W204-Y207 AromaticContact CZ3-CD1 3.91Å; W204-Y207 HydrophobicContact CZ3-CD1 3.91Å; W204-Y207 HydrophobicContact CZ3-CD2 4.38Å; W204-Y207 HydrophobicContact CZ3-CE1 4.01Å; W204-Y207 HydrophobicContact CZ3-CE2 4.47Å; W204-Y207 HydrophobicContact CZ3-CG 4.11Å; W204-Y207 PolarHBondContact O-N 3.1Å; Y207-R211 VanDerWaalsContact CE2-NH1 3.31Å; Y207-R211 PolarHBondContact O-NH1 3.39Å; Y207-R211 PolarHBondContact OH-NH2 2.95Å |
| 208 | F | 97 | Very high | 93.5 | Very high | 3 Ų | 3 | 67.9 Ų | 67.9 | 1% | 0.013 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -76.7 | -35.5 | 176.4 | -83.5 | -79.5 | 0 | 0 | 0 | 112.1 | I153 F154 F193 W204 E206 Q210 R211 G212 L213 V215 P216 | I153-F208 HydrophobicContact CB-CE1 4.29Å; I153-F208 HydrophobicContact CG2-CE1 4.47Å; F154-F208 HydrophobicContact CD2-CE2 4.46Å; F154-F208 AromaticContact CD2-CZ 3.87Å; F154-F208 HydrophobicContact CD2-CZ 3.87Å; F154-F208 HydrophobicContact CE2-CZ 4.31Å; F193-F208 HydrophobicContact CD1-CE2 4.32Å; F193-F208 AromaticContact CE1-CE2 3.94Å; F193-F208 HydrophobicContact CE1-CE2 3.94Å; F193-F208 HydrophobicContact CE1-CZ 4.33Å; F193-F208 HydrophobicContact CZ-CE2 4.04Å; F193-F208 HydrophobicContact CZ-CZ 4.07Å; W204-F208 HydrophobicContact CE3-CE2 4.3Å; W204-F208 WeakPolarHBondContact O-CB 3.49Å; W204-F208 VanDerWaalsContact O-CD2 3.3Å; W204-F208 WeakPolarHBondContact O-CD2 3.31Å; W204-F208 PolarHBondContact O-N 3.03Å; E206-F208 PolarHBondContact O-N 3.44Å; F208-Q210 VanDerWaalsContact C-N 3.31Å; F208-Q210 PolarHBondContact O-N 3.3Å; F208-R211 CarbonylContact O-C 3.53Å; F208-R211 WeakPolarHBondContact O-CA 3.3Å; F208-R211 WeakPolarHBondContact O-CB 3.48Å; F208-R211 PolarHBondContact O-N 2.91Å; F208-G212 PolarHBondContact O-N 2.94Å; F208-L213 CarbonylContact C-O 3.33Å; F208-L213 WeakPolarHBondContact CB-O 3.43Å; F208-L213 HydrophobicContact CD1-CB 4.2Å; F208-L213 PolarHBondContact O-N 3.23Å; F208-L213 VanDerWaalsContact O-N 3.09Å; F208-V215 HydrophobicContact CB-CG2 4.18Å; F208-V215 HydrophobicContact CD2-CB 4.18Å; F208-V215 HydrophobicContact CD2-CG1 4.16Å; F208-V215 HydrophobicContact CD2-CG2 3.84Å; F208-V215 HydrophobicContact CE2-CG1 4.16Å; F208-V215 HydrophobicContact CG-CG2 4.28Å; F208-P216 VanDerWaalsContact CE1-CD 3.4Å; F208-P216 HydrophobicContact CE1-CG 3.96Å; F208-P216 HydrophobicContact CE2-CG 4.39Å; F208-P216 HydrophobicContact CZ-CG 3.66Å |
| 209 | A | 96.9 | Very high | 93.2 | Very high | 63 Ų | 63 | 66.7 Ų | 66.7 | 52% | 0.521 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.3 | -39.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V205 E206 R211 G212 | V205-A209 VanDerWaalsContact O-CB 3.23Å; V205-A209 WeakPolarHBondContact O-CB 3.43Å; V205-A209 PolarHBondContact O-N 2.78Å; E206-A209 PolarHBondContact O-N 3.34Å; A209-R211 PolarHBondContact O-N 2.81Å; A209-R211 VanDerWaalsContact O-N 3.12Å; A209-G212 PolarHBondContact O-N 2.81Å |
| 210 | Q | 95.6 | Very high | 93 | Very high | 155 Ų | 155 | 71.1 Ų | 71.1 | 72% | 0.724 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -19.9 | 174 | -73.5 | 173 | 9.2 | 0 | 0 | 113.5 | E206 F208 | E206-Q210 WeakPolarHBondContact O-CG 3.41Å; E206-Q210 PolarHBondContact O-N 2.85Å; F208-Q210 VanDerWaalsContact C-N 3.31Å; F208-Q210 PolarHBondContact O-N 3.3Å |
| 211 | R | 94.7 | Very high | 92.9 | Very high | 76 Ų | 76 | 67.3 Ų | 67.3 | 29% | 0.287 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 4.6 | 177.5 | -67.1 | 165.7 | 172.6 | 74.6 | 4.8 | 112.8 | D152 Y207 F208 A209 L213 | D152-R211 WeakPolarHBondContact OD2-CD 3.27Å; D152-R211 IonicContact OD2-CZ 2.8Å; D152-R211 IonicContact OD2-NE 2.74Å; D152-R211 PolarHBondContact OD2-NE 3.25Å; D152-R211 IonicContact OD2-NH2 3.01Å; Y207-R211 VanDerWaalsContact CE2-NH1 3.31Å; Y207-R211 PolarHBondContact O-NH1 3.39Å; Y207-R211 PolarHBondContact OH-NH2 2.95Å; F208-R211 CarbonylContact O-C 3.53Å; F208-R211 WeakPolarHBondContact O-CA 3.3Å; F208-R211 WeakPolarHBondContact O-CB 3.48Å; F208-R211 PolarHBondContact O-N 2.91Å; A209-R211 PolarHBondContact O-N 2.81Å; A209-R211 VanDerWaalsContact O-N 3.12Å; R211-L213 HydrophobicContact CB-CD1 4.43Å; R211-L213 PolarHBondContact O-N 3.5Å |
| 212 | G | 95.4 | Very high | 92.7 | Very high | 71 Ų | 71 | 67.4 Ų | 67.4 | 73% | 0.732 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | 23.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | F208 A209 | F208-G212 PolarHBondContact O-N 2.94Å; A209-G212 PolarHBondContact O-N 2.81Å |
| 213 | L | 94.5 | Very high | 92.6 | Very high | 70 Ų | 70 | 64.4 Ų | 64.4 | 37% | 0.366 | 35% | 0.354 | S | S | . | . | trans | -122.3 | 149.4 | -176.2 | -67.2 | 171.8 | 0 | 0 | 0 | 111.1 | I153 F208 R211 | I153-L213 HydrophobicContact CB-CD1 4.27Å; I153-L213 HydrophobicContact CG2-CD1 3.46Å; I153-L213 VanDerWaalsContact CG2-CD1 3.46Å; F208-L213 CarbonylContact C-O 3.33Å; F208-L213 WeakPolarHBondContact CB-O 3.43Å; F208-L213 HydrophobicContact CD1-CB 4.2Å; F208-L213 PolarHBondContact O-N 3.23Å; F208-L213 VanDerWaalsContact O-N 3.09Å; R211-L213 HydrophobicContact CB-CD1 4.43Å; R211-L213 PolarHBondContact O-N 3.5Å | ||
| 214 | P | 94.1 | Very high | 92.5 | Very high | 106 Ų | 106 | 62.2 Ų | 62.2 | 69% | 0.688 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -73.3 | 158.4 | 164.7 | 32.5 | -34.1 | 0 | 0 | 0 | 110.3 | ||
| 215 | V | 94.9 | Very high | 92.3 | Very high | 19 Ų | 19 | 62.1 Ų | 62.1 | 12% | 0.115 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 128 | 167.7 | -175.6 | 0 | 0 | 0 | 0 | 108.6 | F193 L200 W204 V205 F208 I217 | F193-V215 HydrophobicContact CB-CG1 3.8Å; F193-V215 HydrophobicContact CD2-CG1 3.46Å; F193-V215 VanDerWaalsContact CD2-CG1 3.46Å; F193-V215 HydrophobicContact CE2-CG1 4.17Å; F193-V215 HydrophobicContact CG-CG1 3.69Å; L200-V215 HydrophobicContact CD1-CB 4.42Å; L200-V215 HydrophobicContact CD1-CG1 3.96Å; L200-V215 HydrophobicContact CD1-CG2 4.34Å; L200-V215 HydrophobicContact CD2-CB 4.34Å; L200-V215 HydrophobicContact CD2-CG2 4.04Å; W204-V215 HydrophobicContact CB-CG2 4.39Å; V205-V215 HydrophobicContact CG2-CG2 4.42Å; F208-V215 HydrophobicContact CB-CG2 4.18Å; F208-V215 HydrophobicContact CD2-CB 4.18Å; F208-V215 HydrophobicContact CD2-CG1 4.16Å; F208-V215 HydrophobicContact CD2-CG2 3.84Å; F208-V215 HydrophobicContact CE2-CG1 4.16Å; F208-V215 HydrophobicContact CG-CG2 4.28Å; V215-I217 PolarHBondContact O-N 2.99Å |
| 216 | P | 92 | Very high | 92.1 | Very high | 38 Ų | 38 | 61.7 Ų | 61.7 | 25% | 0.247 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 121 | -179.2 | 20.1 | -23 | 0 | 0 | 0 | 110 | L191 F193 F208 | L191-P216 HydrophobicContact CD1-CB 4.48Å; L191-P216 HydrophobicContact CD1-CG 4.16Å; F193-P216 HydrophobicContact CE2-CG 3.69Å; F193-P216 HydrophobicContact CZ-CG 4.1Å; F208-P216 VanDerWaalsContact CE1-CD 3.4Å; F208-P216 HydrophobicContact CE1-CG 3.96Å; F208-P216 HydrophobicContact CE2-CG 4.39Å; F208-P216 HydrophobicContact CZ-CG 3.66Å |
| 217 | I | 82.1 | Confident | 91.9 | Very high | 143 Ų | 143 | 56.3 Ų | 56.3 | 73% | 0.733 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -96.1 | 130.1 | 176.5 | -59.9 | 172.3 | 0 | 0 | 0 | 107.9 | V215 G219 | V215-I217 PolarHBondContact O-N 2.99Å; I217-G219 PolarHBondContact O-N 3.39Å; I217-G219 VanDerWaalsContact O-N 3.08Å |
| 218 | N | 74.2 | Confident | 91.8 | Very high | 136 Ų | 136 | 57.3 Ų | 57.3 | 73% | 0.727 | 32% | 0.318 | S | S | * | . | S | Bend | trans | 58.5 | 18.4 | 178 | -56 | -34.2 | 0 | 0 | 0 | 115.4 | ||
| 219 | G | 83.7 | Confident | 91.6 | Very high | 23 Ų | 23 | 64 Ų | 64 | 24% | 0.237 | 35% | 0.347 | C | S | . | . | trans | -63.9 | 149.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | P190 L191 I217 | P190-G219 WeakPolarHBondContact CA-O 3.28Å; L191-G219 PolarHBondContact N-O 3.48Å; I217-G219 PolarHBondContact O-N 3.39Å; I217-G219 VanDerWaalsContact O-N 3.08Å | ||
| 220 | Y | 89 | Confident | 91.5 | Very high | 163 Ų | 163 | 62.3 Ų | 62.3 | 64% | 0.639 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 136.7 | 172.6 | -74.2 | -59.6 | 0 | 0 | 0 | 110.7 | V188 | V188-Y220 HydrophobicContact CG1-CD1 3.6Å; V188-Y220 HydrophobicContact CG1-CG 3.87Å |
| 221 | G | 91.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.8 | -148.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y168 Q189 | Y168-G221 WeakPolarHBondContact OH-CA 3.44Å; Q189-G221 PolarHBondContact N-O 2.9Å; Q189-G221 CarbonylContact O-C 3.48Å; Q189-G221 PolarHBondContact O-N 3.17Å; Q189-G221 VanDerWaalsContact O-O 3.06Å |
| 222 | S | 91.6 | Very high | 91.7 | Very high | 11 Ų | 11 | 59.3 Ų | 59.3 | 8% | 0.077 | 33% | 0.33 | C | S | . | . | trans | -156.2 | 160.3 | -179.5 | 55.2 | 0 | 0 | 0 | 0 | 110.6 | Y168 C170 Q171 | Y168-S222 WeakPolarHBondContact CE2-O 3.42Å; Y168-S222 VanDerWaalsContact CE2-OG 3.3Å; Y168-S222 WeakPolarHBondContact CE2-OG 3.4Å; Y168-S222 PolarHBondContact OH-N 2.86Å; Y168-S222 PolarHBondContact OH-OG 3.29Å; C170-S222 WeakPolarHBondContact CB-OG 3.42Å; C170-S222 VanDerWaalsContact SG-C 3.54Å; C170-S222 PolarHBondContact SG-O 3.06Å; C170-S222 VanDerWaalsContact SG-O 3.36Å; C170-S222 PolarHBondContact SG-OG 3.4Å; Q171-S222 PolarHBondContact N-OG 3.17Å | ||
| 223 | H | 93.2 | Very high | 91.8 | Very high | 17 Ų | 17 | 56.8 Ų | 56.8 | 8% | 0.079 | 30% | 0.3 | C | S | . | . | trans | -141.6 | 136 | 179.3 | -169.8 | -78.9 | 0 | 0 | 0 | 110.5 | V70 S225 R226 L227 | V70-H223 PolarHBondContact O-CE1 3.02Å; V70-H223 PolarHBondContact O-NE2 2.87Å; H223-S225 VanDerWaalsContact C-N 3.35Å; H223-S225 WeakPolarHBondContact ND1-CB 3.5Å; H223-S225 PolarHBondContact ND1-N 2.66Å; H223-S225 PolarHBondContact O-N 2.93Å; H223-R226 HydrophobicContact CB-CB 4.4Å; H223-R226 HydrophobicContact CB-CG 4.27Å; H223-R226 PolarHBondContact O-N 3.36Å; H223-L227 PolarHBondContact O-N 2.86Å | ||
| 224 | P | 94.4 | Very high | 91.9 | Very high | 5 Ų | 5 | 57.4 Ų | 57.4 | 3% | 0.032 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58 | -44 | -174.4 | -23.5 | 33.2 | 0 | 0 | 0 | 113 | A80 R226 L227 I228 | A80-P224 HydrophobicContact CB-CB 3.99Å; P224-R226 PolarHBondContact O-N 3.4Å; P224-R226 VanDerWaalsContact O-N 3.13Å; P224-L227 PolarHBondContact O-N 3.5Å; P224-I228 PolarHBondContact O-N 2.95Å |
| 225 | S | 92.5 | Very high | 92 | Very high | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.007 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.5 | -16.7 | 176.8 | -67.5 | 0 | 0 | 0 | 0 | 115.9 | A74 A79 A80 H223 I228 K229 | A74-S225 VanDerWaalsContact CB-OG 3.3Å; A74-S225 WeakPolarHBondContact CB-OG 3.3Å; A79-S225 WeakPolarHBondContact CA-OG 3.5Å; A80-S225 PolarHBondContact N-OG 3.13Å; A80-S225 PolarHBondContact O-N 2.99Å; A80-S225 PolarHBondContact O-OG 2.98Å; H223-S225 VanDerWaalsContact C-N 3.35Å; H223-S225 WeakPolarHBondContact ND1-CB 3.5Å; H223-S225 PolarHBondContact ND1-N 2.66Å; H223-S225 PolarHBondContact O-N 2.93Å; S225-I228 WeakPolarHBondContact O-CG2 3.25Å; S225-K229 WeakPolarHBondContact O-CE 3.21Å |
| 226 | R | 91.5 | Very high | 92.1 | Very high | 60 Ų | 60 | 57.4 Ų | 57.4 | 23% | 0.226 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -98.8 | -36 | 174 | -63.9 | -179.7 | -171.6 | 108.1 | 20.1 | 110.9 | S73 N192 H223 P224 I228 K229 | S73-R226 PolarHBondContact O-NH2 2.97Å; N192-R226 PolarHBondContact ND2-NH2 3.41Å; H223-R226 HydrophobicContact CB-CB 4.4Å; H223-R226 HydrophobicContact CB-CG 4.27Å; H223-R226 PolarHBondContact O-N 3.36Å; P224-R226 PolarHBondContact O-N 3.4Å; P224-R226 VanDerWaalsContact O-N 3.13Å; R226-I228 VanDerWaalsContact C-N 3.33Å; R226-I228 PolarHBondContact O-N 3.21Å; R226-K229 PolarHBondContact O-N 3.21Å |
| 227 | L | 94.4 | Very high | 92.3 | Very high | 8 Ų | 8 | 56.1 Ų | 56.1 | 4% | 0.042 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.4 | -41.6 | 175.2 | -177.5 | 67.5 | 0 | 0 | 0 | 111.6 | F52 V83 C170 V173 F186 H223 P224 K229 S230 L233 | F52-L227 HydrophobicContact CE1-CB 4.15Å; F52-L227 HydrophobicContact CE1-CD2 4.08Å; F52-L227 HydrophobicContact CE1-CG 4.16Å; F52-L227 HydrophobicContact CZ-CB 4.36Å; F52-L227 HydrophobicContact CZ-CD2 3.96Å; F52-L227 HydrophobicContact CZ-CG 3.93Å; V83-L227 HydrophobicContact CG1-CD2 4.12Å; V83-L227 HydrophobicContact CG2-CD2 4.33Å; C170-L227 HydrophobicContact CB-CD2 3.95Å; V173-L227 HydrophobicContact CB-CD2 4.38Å; V173-L227 HydrophobicContact CG1-CD2 4.13Å; F186-L227 HydrophobicContact CB-CD1 3.72Å; F186-L227 HydrophobicContact CD1-CD1 3.46Å; F186-L227 VanDerWaalsContact CD1-CD1 3.46Å; F186-L227 HydrophobicContact CD2-CD1 4.29Å; F186-L227 HydrophobicContact CE1-CD1 4.12Å; F186-L227 HydrophobicContact CG-CD1 3.55Å; H223-L227 PolarHBondContact O-N 2.86Å; P224-L227 PolarHBondContact O-N 3.5Å; L227-K229 PolarHBondContact O-N 3.49Å; L227-S230 WeakPolarHBondContact O-CB 3.29Å; L227-S230 PolarHBondContact O-N 3.35Å; L227-L233 VanDerWaalsContact O-CD1 3.25Å; L227-L233 WeakPolarHBondContact O-CD1 3.43Å |
| 228 | I | 94.7 | Very high | 93 | Very high | 36 Ų | 36 | 50.5 Ų | 50.5 | 19% | 0.185 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -21.1 | 178.4 | -161.1 | 173.1 | 0 | 0 | 0 | 113.2 | F52 T123 M125 P224 S225 R226 S230 | F52-I228 HydrophobicContact CB-CD1 3.72Å; F52-I228 HydrophobicContact CB-CG1 4.37Å; F52-I228 HydrophobicContact CD1-CB 3.73Å; F52-I228 HydrophobicContact CD1-CD1 4.04Å; F52-I228 HydrophobicContact CD1-CG1 3.96Å; F52-I228 HydrophobicContact CD2-CB 4.45Å; F52-I228 HydrophobicContact CD2-CD1 4.19Å; F52-I228 HydrophobicContact CD2-CG1 3.94Å; F52-I228 HydrophobicContact CE1-CB 3.64Å; F52-I228 HydrophobicContact CE1-CG1 4.19Å; F52-I228 HydrophobicContact CE2-CB 4.39Å; F52-I228 HydrophobicContact CE2-CG1 4.18Å; F52-I228 HydrophobicContact CG-CB 4.13Å; F52-I228 HydrophobicContact CG-CD1 3.72Å; F52-I228 HydrophobicContact CG-CG1 3.82Å; F52-I228 HydrophobicContact CZ-CB 3.99Å; F52-I228 HydrophobicContact CZ-CG1 4.29Å; T123-I228 HydrophobicContact CG2-CD1 4.4Å; M125-I228 HydrophobicContact CE-CG1 4.05Å; M125-I228 VanDerWaalsContact CE-O 3.28Å; M125-I228 WeakPolarHBondContact CE-O 3.27Å; M125-I228 HydrophobicContact SD-CG1 4.47Å; P224-I228 PolarHBondContact O-N 2.95Å; S225-I228 WeakPolarHBondContact O-CG2 3.25Å; R226-I228 VanDerWaalsContact C-N 3.33Å; R226-I228 PolarHBondContact O-N 3.21Å; I228-S230 VanDerWaalsContact C-N 3.35Å |
| 229 | K | 93.5 | Very high | 94 | Very high | 144 Ų | 144 | 45.8 Ų | 45.8 | 63% | 0.626 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92 | 5.9 | 178 | -55.9 | -179.8 | -176.6 | 179.9 | 0 | 113 | S225 R226 L227 | S225-K229 WeakPolarHBondContact O-CE 3.21Å; R226-K229 PolarHBondContact O-N 3.21Å; L227-K229 PolarHBondContact O-N 3.49Å |
| 230 | S | 95.1 | Very high | 94.5 | Very high | 26 Ų | 26 | 48.2 Ų | 48.2 | 18% | 0.182 | 24% | 0.235 | C | C | . | . | trans | -60.8 | 139.3 | 178.4 | 179.9 | 0 | 0 | 0 | 0 | 110.6 | L227 I228 N232 L233 | L227-S230 WeakPolarHBondContact O-CB 3.29Å; L227-S230 PolarHBondContact O-N 3.35Å; I228-S230 VanDerWaalsContact C-N 3.35Å; S230-N232 PolarHBondContact O-N 3.02Å; S230-N232 PolarHBondContact OG-N 3.24Å; S230-L233 PolarHBondContact O-N 3.37Å | ||
| 231 | T | 95.9 | Very high | 94.8 | Very high | 126 Ų | 126 | 40.4 Ų | 40.4 | 77% | 0.773 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66 | -14.9 | 172.6 | 53.9 | 0 | 0 | 0 | 0 | 113.1 | L233 | T231-L233 PolarHBondContact O-N 3.19Š|
| 232 | N | 97 | Very high | 94.8 | Very high | 42 Ų | 42 | 47.1 Ų | 47.1 | 23% | 0.225 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 15.3 | 178 | -61 | -19.5 | 0 | 0 | 0 | 112.1 | V127 T128 V185 F186 S230 | V127-N232 WeakPolarHBondContact CA-O 3.3Å; T128-N232 PolarHBondContact N-O 3.1Å; T128-N232 VanDerWaalsContact OG1-CA 3.27Å; T128-N232 WeakPolarHBondContact OG1-CA 3.23Å; T128-N232 PolarHBondContact OG1-O 3.07Å; V185-N232 HydrophobicContact CG1-CB 4.34Å; V185-N232 PolarHBondContact O-ND2 3.37Å; F186-N232 HydrophobicContact CE1-CB 4.32Å; S230-N232 PolarHBondContact O-N 3.02Å; S230-N232 PolarHBondContact OG-N 3.24Å |
| 233 | L | 97.4 | Very high | 94.9 | Very high | 18 Ų | 18 | 49.6 Ų | 49.6 | 9% | 0.094 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 140.2 | 177.4 | -61.6 | 176.4 | 0 | 0 | 0 | 110.7 | L50 F52 M125 R126 V127 F186 L227 S230 T231 | L50-L233 HydrophobicContact CD1-CD1 4.36Å; L50-L233 HydrophobicContact CD1-CD2 3.73Å; L50-L233 HydrophobicContact CG-CD2 4.41Å; F52-L233 HydrophobicContact CE2-CD1 3.87Å; F52-L233 HydrophobicContact CZ-CD1 3.84Å; M125-L233 HydrophobicContact CB-CB 4.39Å; M125-L233 HydrophobicContact CB-CD2 4.28Å; M125-L233 HydrophobicContact CE-CB 3.48Å; M125-L233 VanDerWaalsContact CE-CB 3.48Å; M125-L233 HydrophobicContact CE-CD1 4.07Å; M125-L233 HydrophobicContact CE-CG 4.4Å; R126-L233 VanDerWaalsContact O-CA 3.31Å; R126-L233 WeakPolarHBondContact O-CA 3.41Å; V127-L233 HydrophobicContact CB-CD2 4.47Å; V127-L233 HydrophobicContact CG2-CD2 3.84Å; F186-L233 HydrophobicContact CE1-CD1 4.4Å; F186-L233 HydrophobicContact CE1-CD2 3.87Å; F186-L233 HydrophobicContact CE1-CG 4Å; F186-L233 HydrophobicContact CZ-CD2 4.03Å; L227-L233 VanDerWaalsContact O-CD1 3.25Å; L227-L233 WeakPolarHBondContact O-CD1 3.43Å; S230-L233 PolarHBondContact O-N 3.37Å; T231-L233 PolarHBondContact O-N 3.19Å |
| 234 | Q | 96.7 | Very high | 94.9 | Very high | 84 Ų | 84 | 52.4 Ų | 52.4 | 39% | 0.393 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 122.9 | 171.8 | 179.9 | 177.7 | 37.2 | 0 | 0 | 109.1 | L43 M125 R126 T128 I236 | L43-Q234 HydrophobicContact CD2-CG 4.45Å; M125-Q234 CarbonylContact C-O 3.6Å; M125-Q234 WeakPolarHBondContact CA-O 3.21Å; R126-Q234 PolarHBondContact N-O 3.38Å; R126-Q234 PolarHBondContact O-N 3.36Å; T128-Q234 HydrophobicContact CG2-CB 3.56Å; Q234-I236 PolarHBondContact O-N 2.92Å |
| 235 | E | 97 | Very high | 94.9 | Very high | 108 Ų | 108 | 55.9 Ų | 55.9 | 51% | 0.505 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 128 | 173.7 | -172.6 | 173 | 131.6 | 0 | 0 | 110.2 | T123 M125 S238 | T123-E235 HydrophobicContact CG2-CG 3.87Å; M125-E235 WeakPolarHBondContact SD-CA 3.35Å; M125-E235 HydrophobicContact SD-CB 3.65Å; M125-E235 HydrophobicContact SD-CG 4.1Å; E235-S238 VanDerWaalsContact OE1-CB 3.26Å; E235-S238 WeakPolarHBondContact OE1-CB 3.26Å |
| 236 | I | 96.8 | Very high | 95.1 | Very high | 17 Ų | 17 | 56.3 Ų | 56.3 | 9% | 0.087 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | -47.6 | 170.6 | -57.2 | -55.5 | 0 | 0 | 0 | 109.4 | L43 L45 A124 R126 Q234 W257 | L43-I236 HydrophobicContact CB-CD1 4.16Å; L43-I236 HydrophobicContact CD2-CD1 3.74Å; L43-I236 HydrophobicContact CG-CD1 4.48Å; L45-I236 HydrophobicContact CD2-CB 4.18Å; L45-I236 HydrophobicContact CD2-CG1 3.63Å; L45-I236 HydrophobicContact CG-CB 4.33Å; L45-I236 HydrophobicContact CG-CG1 4.07Å; L45-I236 HydrophobicContact CG-CG2 4.27Å; A124-I236 PolarHBondContact O-N 3.05Å; R126-I236 HydrophobicContact CB-CD1 3.85Å; R126-I236 HydrophobicContact CB-CG1 4.04Å; Q234-I236 PolarHBondContact O-N 2.92Å; I236-W257 HydrophobicContact CG2-CB 4.06Å; I236-W257 HydrophobicContact CG2-CD2 3.65Å; I236-W257 HydrophobicContact CG2-CE3 4.09Å; I236-W257 HydrophobicContact CG2-CG 3.62Å |
| 237 | F | 96.3 | Very high | 95.3 | Very high | 11 Ų | 11 | 53.6 Ų | 53.6 | 5% | 0.048 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 162.6 | 171.3 | 70.3 | -98.7 | 0 | 0 | 0 | 111.8 | L45 T123 A124 E239 M250 M253 L254 W257 | L45-F237 HydrophobicContact CD1-CE1 3.88Å; T123-F237 WeakPolarHBondContact CA-O 3.49Å; A124-F237 HydrophobicContact CB-CD1 3.8Å; A124-F237 HydrophobicContact CB-CD2 4.45Å; A124-F237 HydrophobicContact CB-CE1 3.42Å; A124-F237 VanDerWaalsContact CB-CE1 3.42Å; A124-F237 HydrophobicContact CB-CE2 4.1Å; A124-F237 HydrophobicContact CB-CG 4.3Å; A124-F237 HydrophobicContact CB-CZ 3.57Å; A124-F237 PolarHBondContact N-O 2.97Å; A124-F237 PolarHBondContact O-N 2.98Å; F237-E239 HydrophobicContact CD2-CB 4.44Å; F237-E239 HydrophobicContact CD2-CG 3.9Å; F237-E239 HydrophobicContact CE2-CG 4.28Å; F237-M250 HydrophobicContact CE2-CG 4.29Å; F237-M253 HydrophobicContact CB-CE 3.48Å; F237-M253 VanDerWaalsContact CB-CE 3.48Å; F237-M253 HydrophobicContact CD1-CB 4.41Å; F237-M253 HydrophobicContact CD1-CE 4.24Å; F237-M253 HydrophobicContact CD2-CE 3.78Å; F237-M253 HydrophobicContact CE1-CB 4.21Å; F237-M253 HydrophobicContact CE2-CB 4.5Å; F237-M253 HydrophobicContact CG-CE 3.58Å; F237-M253 HydrophobicContact CZ-CB 4.27Å; F237-L254 HydrophobicContact CE1-CD2 3.88Å; F237-L254 HydrophobicContact CE1-CG 4.27Å; F237-L254 HydrophobicContact CZ-CD2 3.58Å; F237-L254 HydrophobicContact CZ-CG 3.76Å; F237-W257 AromaticContact CD1-CD1 3.52Å; F237-W257 HydrophobicContact CD1-CG 4.42Å; F237-W257 AromaticContact CE1-CD1 4Å |
| 238 | S | 96 | Very high | 95.4 | Very high | 25 Ų | 25 | 58.3 Ų | 58.3 | 18% | 0.175 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 123.9 | 169.2 | -172.5 | 0 | 0 | 0 | 0 | 110.4 | R121 V122 T123 E235 | R121-S238 VanDerWaalsContact CD-OG 3.28Å; R121-S238 WeakPolarHBondContact CD-OG 3.31Å; R121-S238 VanDerWaalsContact CG-OG 3.31Å; R121-S238 WeakPolarHBondContact CG-OG 3.45Å; R121-S238 PolarHBondContact NH1-OG 3.12Å; V122-S238 WeakPolarHBondContact O-CA 3.47Å; T123-S238 PolarHBondContact OG1-OG 2.98Å; E235-S238 VanDerWaalsContact OE1-CB 3.26Å; E235-S238 WeakPolarHBondContact OE1-CB 3.26Å |
| 239 | E | 95.6 | Very high | 95.5 | Very high | 37 Ų | 37 | 61.6 Ų | 61.6 | 17% | 0.173 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 142.2 | -177.4 | -74.4 | -65.3 | 152.4 | 0 | 0 | 111.4 | R121 V122 F237 K249 M250 M253 | R121-E239 CarbonylContact C-O 3.25Å; R121-E239 WeakPolarHBondContact CA-O 3.46Å; V122-E239 PolarHBondContact N-O 3.32Å; V122-E239 PolarHBondContact O-N 3.09Å; F237-E239 HydrophobicContact CD2-CB 4.44Å; F237-E239 HydrophobicContact CD2-CG 3.9Å; F237-E239 HydrophobicContact CE2-CG 4.28Å; E239-K249 IonicContact OE1-NZ 3.68Å; E239-K249 PolarHBondContact OE1-NZ 2.83Å; E239-K249 IonicContact OE2-NZ 3.86Å; E239-K249 PolarHBondContact OE2-NZ 3.26Å; E239-M250 HydrophobicContact CB-CB 4.38Å; E239-M250 HydrophobicContact CB-CG 4.34Å; E239-M253 VanDerWaalsContact CD-SD 3.5Å; E239-M253 HydrophobicContact CG-CE 3.78Å; E239-M253 HydrophobicContact CG-SD 3.42Å; E239-M253 WeakPolarHBondContact CG-SD 3.46Å; E239-M253 WeakPolarHBondContact OE1-CE 3.23Å |
| 240 | I | 94.5 | Very high | 95.6 | Very high | 73 Ų | 73 | 54.7 Ų | 54.7 | 37% | 0.374 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 124.4 | 173.8 | -59 | 175.1 | 0 | 0 | 0 | 107.5 | I119 I120 Y242 | I119-I240 HydrophobicContact CG2-CG2 3.51Å; I120-I240 WeakPolarHBondContact O-CA 3.16Å; I240-Y242 HydrophobicContact CG2-CD1 4.21Å |
| 241 | V | 94.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 124.4 | 179.7 | -171.2 | 0 | 0 | 0 | 0 | 108.5 | I114 I120 V122 L247 M250 | I114-V241 HydrophobicContact CG2-CB 4.41Å; I114-V241 HydrophobicContact CG2-CG1 3.87Å; I120-V241 HydrophobicContact CD1-CB 4.32Å; I120-V241 HydrophobicContact CG1-CB 3.8Å; I120-V241 PolarHBondContact N-O 2.96Å; I120-V241 PolarHBondContact O-N 2.96Å; V122-V241 HydrophobicContact CG2-CG2 4Å; V241-L247 HydrophobicContact CG1-CB 3.75Å; V241-M250 HydrophobicContact CG2-CB 4.06Å; V241-M250 HydrophobicContact CG2-CG 4.23Å |
| 242 | Y | 92.6 | Very high | 95.7 | Very high | 141 Ų | 141 | 52.9 Ų | 52.9 | 55% | 0.553 | 26% | 0.264 | S | S | * | . | trans | -138.8 | -7 | -175.9 | 56.8 | -92.5 | 0 | 0 | 0 | 113.7 | R118 I240 S246 | R118-Y242 VanDerWaalsContact O-CA 3.25Å; R118-Y242 WeakPolarHBondContact O-CA 3.38Å; R118-Y242 WeakPolarHBondContact O-CB 3.45Å; I240-Y242 HydrophobicContact CG2-CD1 4.21Å; Y242-S246 PolarHBondContact N-OG 2.88Å | ||
| 243 | D | 93.5 | Very high | 95.6 | Very high | 62 Ų | 62 | 52.7 Ų | 52.7 | 33% | 0.332 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -158 | -176.3 | 177 | 62.9 | 13.4 | 0 | 0 | 0 | 110.2 | S245 S246 L247 | D243-S245 PolarHBondContact OD1-N 3.23Å; D243-S246 PolarHBondContact N-OG 2.99Å; D243-S246 PolarHBondContact O-OG 3.2Å; D243-S246 WeakPolarHBondContact OD1-CB 3.45Å; D243-S246 PolarHBondContact OD1-N 3.37Å; D243-S246 PolarHBondContact OD1-OG 3.19Å; D243-L247 WeakPolarHBondContact O-CB 3.44Å; D243-L247 PolarHBondContact O-N 3.23Å |
| 244 | I | 92.8 | Very high | 95.6 | Very high | 76 Ų | 76 | 51.9 Ų | 51.9 | 39% | 0.39 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -68 | -35.5 | 179.6 | -59.1 | -58.1 | 0 | 0 | 0 | 111.9 | K111 I114 L247 E248 | K111-I244 HydrophobicContact CG-CD1 4.29Å; I114-I244 HydrophobicContact CD1-CD1 4.15Å; I244-L247 WeakPolarHBondContact O-CB 3.3Å; I244-L247 PolarHBondContact O-N 3.01Å; I244-E248 HydrophobicContact CG2-CG 4.43Å; I244-E248 WeakPolarHBondContact O-CG 3.39Å; I244-E248 PolarHBondContact O-N 3.21Å |
| 245 | S | 95.3 | Very high | 95.5 | Very high | 79 Ų | 79 | 52.2 Ų | 52.2 | 55% | 0.552 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -68.4 | -43 | -178.5 | -177.3 | 0 | 0 | 0 | 0 | 112.2 | D243 L247 E248 K249 | D243-S245 PolarHBondContact OD1-N 3.23Å; S245-L247 VanDerWaalsContact C-N 3.26Å; S245-L247 PolarHBondContact O-N 2.87Å; S245-E248 PolarHBondContact O-N 3.28Å; S245-K249 PolarHBondContact O-N 3.22Å; S245-K249 VanDerWaalsContact O-N 3.09Å |
| 246 | S | 96.3 | Very high | 95.4 | Very high | 10 Ų | 10 | 53.3 Ų | 53.3 | 7% | 0.07 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.7 | -28.4 | 173.3 | 53.7 | 0 | 0 | 0 | 0 | 112.6 | Y242 D243 M250 | Y242-S246 PolarHBondContact N-OG 2.88Å; D243-S246 PolarHBondContact N-OG 2.99Å; D243-S246 PolarHBondContact O-OG 3.2Å; D243-S246 WeakPolarHBondContact OD1-CB 3.45Å; D243-S246 PolarHBondContact OD1-N 3.37Å; D243-S246 PolarHBondContact OD1-OG 3.19Å; S246-M250 PolarHBondContact O-N 3.28Å; S246-M250 VanDerWaalsContact O-N 3.15Å |
| 247 | L | 95.9 | Very high | 95.3 | Very high | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.7 | -49 | 171.8 | 172.6 | 58.2 | 0 | 0 | 0 | 111.5 | E107 A110 K111 V241 D243 I244 S245 K249 M250 I251 | E107-L247 HydrophobicContact CG-CD2 3.91Å; E107-L247 HydrophobicContact CG-CG 4.35Å; A110-L247 HydrophobicContact CB-CD1 3.52Å; A110-L247 HydrophobicContact CB-CD2 4.43Å; K111-L247 HydrophobicContact CD-CD2 4.26Å; K111-L247 HydrophobicContact CG-CD2 3.5Å; K111-L247 VanDerWaalsContact CG-CD2 3.5Å; V241-L247 HydrophobicContact CG1-CB 3.75Å; D243-L247 WeakPolarHBondContact O-CB 3.44Å; D243-L247 PolarHBondContact O-N 3.23Å; I244-L247 WeakPolarHBondContact O-CB 3.3Å; I244-L247 PolarHBondContact O-N 3.01Å; S245-L247 VanDerWaalsContact C-N 3.26Å; S245-L247 PolarHBondContact O-N 2.87Å; L247-K249 VanDerWaalsContact C-N 3.29Å; L247-K249 PolarHBondContact O-N 3.2Å; L247-M250 HydrophobicContact CD1-CE 3.38Å; L247-M250 WeakPolarHBondContact O-CB 3.48Å; L247-M250 PolarHBondContact O-N 2.8Å; L247-I251 HydrophobicContact CD1-CD1 4.4Å; L247-I251 HydrophobicContact CD1-CG1 4.09Å; L247-I251 WeakPolarHBondContact O-CG1 3.18Å; L247-I251 PolarHBondContact O-N 2.9Å |
| 248 | E | 96 | Very high | 95.2 | Very high | 108 Ų | 108 | 56.4 Ų | 56.4 | 51% | 0.505 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -54.5 | -47.1 | 176.3 | -73 | 168.8 | 173.6 | 0 | 0 | 110.8 | I244 S245 M250 I251 D252 | I244-E248 HydrophobicContact CG2-CG 4.43Å; I244-E248 WeakPolarHBondContact O-CG 3.39Å; I244-E248 PolarHBondContact O-N 3.21Å; S245-E248 PolarHBondContact O-N 3.28Å; E248-M250 VanDerWaalsContact C-N 3.31Å; E248-M250 PolarHBondContact O-N 2.71Å; E248-I251 PolarHBondContact O-N 3.1Å; E248-I251 VanDerWaalsContact O-N 3.13Å; E248-D252 PolarHBondContact O-N 2.63Å |
| 249 | K | 96.3 | Very high | 94.7 | Very high | 104 Ų | 104 | 61.7 Ų | 61.7 | 45% | 0.452 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -56.3 | -43 | 174.2 | -174.8 | -167.4 | 170.6 | -145.5 | 0 | 112.8 | E239 S245 L247 D252 M253 | E239-K249 IonicContact OE1-NZ 3.68Å; E239-K249 PolarHBondContact OE1-NZ 2.83Å; E239-K249 IonicContact OE2-NZ 3.86Å; E239-K249 PolarHBondContact OE2-NZ 3.26Å; S245-K249 PolarHBondContact O-N 3.22Å; S245-K249 VanDerWaalsContact O-N 3.09Å; L247-K249 VanDerWaalsContact C-N 3.29Å; L247-K249 PolarHBondContact O-N 3.2Å; K249-D252 PolarHBondContact O-N 2.96Å; K249-M253 WeakPolarHBondContact O-CG 3.33Å; K249-M253 PolarHBondContact O-N 3.43Å |
| 250 | M | 96.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.7 | -39 | 178.8 | 179.7 | -82 | -71.7 | 0 | 0 | 111.7 | M106 A110 V122 F237 E239 V241 S246 L247 E248 M253 L254 | M106-M250 HydrophobicContact CG-CE 4.34Å; A110-M250 HydrophobicContact CB-CE 4.12Å; V122-M250 HydrophobicContact CB-CG 4.21Å; V122-M250 HydrophobicContact CG1-CG 4.32Å; V122-M250 HydrophobicContact CG1-SD 4.16Å; V122-M250 HydrophobicContact CG2-CE 4.25Å; F237-M250 HydrophobicContact CE2-CG 4.29Å; E239-M250 HydrophobicContact CB-CB 4.38Å; E239-M250 HydrophobicContact CB-CG 4.34Å; V241-M250 HydrophobicContact CG2-CB 4.06Å; V241-M250 HydrophobicContact CG2-CG 4.23Å; S246-M250 PolarHBondContact O-N 3.28Å; S246-M250 VanDerWaalsContact O-N 3.15Å; L247-M250 HydrophobicContact CD1-CE 3.38Å; L247-M250 WeakPolarHBondContact O-CB 3.48Å; L247-M250 PolarHBondContact O-N 2.8Å; E248-M250 VanDerWaalsContact C-N 3.31Å; E248-M250 PolarHBondContact O-N 2.71Å; M250-M253 PolarHBondContact O-N 3.16Å; M250-L254 PolarHBondContact O-N 2.93Å; M250-L254 HydrophobicContact SD-CD1 3.41Å; M250-L254 WeakPolarHBondContact SD-CD1 3.2Å; M250-L254 HydrophobicContact SD-CG 4.06Å |
| 251 | I | 96.9 | Very high | 94.7 | Very high | 14 Ų | 14 | 62.4 Ų | 62.4 | 7% | 0.072 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65 | -45.4 | 174.8 | -63.1 | -65 | 0 | 0 | 0 | 110.7 | M106 E107 L247 E248 M253 L254 E255 | M106-I251 HydrophobicContact CB-CD1 4.07Å; M106-I251 HydrophobicContact CG-CD1 3.67Å; E107-I251 HydrophobicContact CB-CD1 4.18Å; L247-I251 HydrophobicContact CD1-CD1 4.4Å; L247-I251 HydrophobicContact CD1-CG1 4.09Å; L247-I251 WeakPolarHBondContact O-CG1 3.18Å; L247-I251 PolarHBondContact O-N 2.9Å; E248-I251 PolarHBondContact O-N 3.1Å; E248-I251 VanDerWaalsContact O-N 3.13Å; I251-M253 PolarHBondContact O-N 3.41Å; I251-L254 HydrophobicContact CD1-CD1 4.26Å; I251-L254 WeakPolarHBondContact O-CB 3.34Å; I251-L254 PolarHBondContact O-N 3.28Å; I251-E255 HydrophobicContact CG2-CG 4.47Å; I251-E255 PolarHBondContact O-N 2.9Å |
| 252 | D | 96.2 | Very high | 94.7 | Very high | 99 Ų | 99 | 65.8 Ų | 65.8 | 53% | 0.529 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57.4 | -39.5 | 176 | -69 | -16 | 0 | 0 | 0 | 111.5 | E248 K249 E255 F256 | E248-D252 PolarHBondContact O-N 2.63Å; K249-D252 PolarHBondContact O-N 2.96Å; D252-E255 PolarHBondContact O-N 2.91Å; D252-F256 VanDerWaalsContact O-CB 3.27Å; D252-F256 WeakPolarHBondContact O-CB 3.4Å; D252-F256 PolarHBondContact O-N 2.64Å |
| 253 | M | 95.9 | Very high | 94.8 | Very high | 38 Ų | 38 | 61.4 Ų | 61.4 | 19% | 0.187 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.6 | -41.1 | 175.2 | -71.6 | 177.6 | 66 | 0 | 0 | 112.2 | F237 E239 K249 M250 I251 F256 W257 | F237-M253 HydrophobicContact CB-CE 3.48Å; F237-M253 VanDerWaalsContact CB-CE 3.48Å; F237-M253 HydrophobicContact CD1-CB 4.41Å; F237-M253 HydrophobicContact CD1-CE 4.24Å; F237-M253 HydrophobicContact CD2-CE 3.78Å; F237-M253 HydrophobicContact CE1-CB 4.21Å; F237-M253 HydrophobicContact CE2-CB 4.5Å; F237-M253 HydrophobicContact CG-CE 3.58Å; F237-M253 HydrophobicContact CZ-CB 4.27Å; E239-M253 VanDerWaalsContact CD-SD 3.5Å; E239-M253 HydrophobicContact CG-CE 3.78Å; E239-M253 HydrophobicContact CG-SD 3.42Å; E239-M253 WeakPolarHBondContact CG-SD 3.46Å; E239-M253 WeakPolarHBondContact OE1-CE 3.23Å; K249-M253 WeakPolarHBondContact O-CG 3.33Å; K249-M253 PolarHBondContact O-N 3.43Å; M250-M253 PolarHBondContact O-N 3.16Å; I251-M253 PolarHBondContact O-N 3.41Å; M253-F256 PolarHBondContact O-N 2.82Å; M253-W257 PolarHBondContact O-N 3.04Å |
| 254 | L | 95.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.7 | -46.6 | 174.1 | -74.9 | 168.5 | 0 | 0 | 0 | 111.4 | L45 I51 M106 A124 F237 M250 I251 W257 Y258 | L45-L254 HydrophobicContact CD1-CD2 3.89Å; I51-L254 HydrophobicContact CD1-CD2 3.81Å; M106-L254 HydrophobicContact CE-CD1 3.45Å; M106-L254 VanDerWaalsContact CE-CD1 3.45Å; M106-L254 HydrophobicContact CE-CD2 4.28Å; M106-L254 HydrophobicContact CG-CD1 3.61Å; M106-L254 HydrophobicContact SD-CD1 4.01Å; A124-L254 HydrophobicContact CB-CD2 4.45Å; F237-L254 HydrophobicContact CE1-CD2 3.88Å; F237-L254 HydrophobicContact CE1-CG 4.27Å; F237-L254 HydrophobicContact CZ-CD2 3.58Å; F237-L254 HydrophobicContact CZ-CG 3.76Å; M250-L254 PolarHBondContact O-N 2.93Å; M250-L254 HydrophobicContact SD-CD1 3.41Å; M250-L254 WeakPolarHBondContact SD-CD1 3.2Å; M250-L254 HydrophobicContact SD-CG 4.06Å; I251-L254 HydrophobicContact CD1-CD1 4.26Å; I251-L254 WeakPolarHBondContact O-CB 3.34Å; I251-L254 PolarHBondContact O-N 3.28Å; L254-W257 PolarHBondContact O-N 2.79Å; L254-Y258 WeakPolarHBondContact O-CB 3.46Å; L254-Y258 PolarHBondContact O-N 3.21Å |
| 255 | E | 95.9 | Very high | 95 | Very high | 91 Ų | 91 | 60.4 Ų | 60.4 | 43% | 0.425 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.7 | -43.4 | 177.5 | -70 | -177.9 | -179.4 | 0 | 0 | 111.9 | H90 I251 D252 W257 Y258 | H90-E255 IonicContact CD2-OE1 3.37Å; H90-E255 IonicContact CE1-OE1 3.64Å; H90-E255 PolarHBondContact CE1-OE1 3.23Å; H90-E255 VanDerWaalsContact CE1-OE1 3.23Å; H90-E255 IonicContact NE2-OE1 3.05Å; H90-E255 PolarHBondContact NE2-OE1 2.79Å; I251-E255 HydrophobicContact CG2-CG 4.47Å; I251-E255 PolarHBondContact O-N 2.9Å; D252-E255 PolarHBondContact O-N 2.91Å; E255-W257 PolarHBondContact O-N 3.08Å; E255-Y258 PolarHBondContact O-N 3.46Å |
| 256 | F | 94.7 | Very high | 95 | Very high | 131 Ų | 131 | 59.1 Ų | 59.1 | 58% | 0.575 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -62 | -42.2 | 178.7 | 176.1 | -96.8 | 0 | 0 | 0 | 112.7 | D252 M253 | D252-F256 VanDerWaalsContact O-CB 3.27Å; D252-F256 WeakPolarHBondContact O-CB 3.4Å; D252-F256 PolarHBondContact O-N 2.64Å; M253-F256 PolarHBondContact O-N 2.82Å |
| 257 | W | 94.7 | Very high | 94.9 | Very high | 47 Ų | 47 | 62.8 Ų | 62.8 | 18% | 0.178 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -84.9 | -18 | -177.3 | -70.4 | 115.5 | 0 | 0 | 0 | 113.7 | A40 L43 S44 L45 I236 F237 M253 L254 E255 | A40-W257 HydrophobicContact CB-CH2 4.25Å; L43-W257 HydrophobicContact CB-CE3 4.31Å; L43-W257 HydrophobicContact CB-CH2 4.37Å; L43-W257 HydrophobicContact CB-CZ3 3.76Å; L43-W257 VanDerWaalsContact O-CE3 3.32Å; L43-W257 WeakPolarHBondContact O-CZ3 3.44Å; S44-W257 CarbonylContact C-O 3.38Å; S44-W257 VanDerWaalsContact CA-O 3.27Å; S44-W257 WeakPolarHBondContact CA-O 3.18Å; S44-W257 WeakPolarHBondContact CB-O 3.39Å; L45-W257 HydrophobicContact CD1-CB 4.03Å; L45-W257 HydrophobicContact CG-CB 4.19Å; L45-W257 PolarHBondContact N-O 3.35Å; I236-W257 HydrophobicContact CG2-CB 4.06Å; I236-W257 HydrophobicContact CG2-CD2 3.65Å; I236-W257 HydrophobicContact CG2-CE3 4.09Å; I236-W257 HydrophobicContact CG2-CG 3.62Å; F237-W257 AromaticContact CD1-CD1 3.52Å; F237-W257 HydrophobicContact CD1-CG 4.42Å; F237-W257 AromaticContact CE1-CD1 4Å; M253-W257 PolarHBondContact O-N 3.04Å; L254-W257 PolarHBondContact O-N 2.79Å; E255-W257 PolarHBondContact O-N 3.08Å |
| 258 | Y | 94.5 | Very high | 94.8 | Very high | 46 Ų | 46 | 67.9 Ų | 67.9 | 18% | 0.18 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -83.1 | 124 | -173.4 | -171.3 | -89.6 | 0 | 0 | 0 | 112.8 | L45 R47 L86 L87 S88 L254 E255 | L45-Y258 HydrophobicContact CB-CD2 4.28Å; L45-Y258 WeakPolarHBondContact O-CA 3.29Å; R47-Y258 PolarHBondContact N-OH 3.45Å; L86-Y258 HydrophobicContact CD2-CD2 3.65Å; L86-Y258 HydrophobicContact CD2-CE2 3.86Å; L86-Y258 HydrophobicContact CG-CD2 4.34Å; L86-Y258 HydrophobicContact CG-CE2 4.16Å; L87-Y258 PolarHBondContact O-OH 3.44Å; S88-Y258 VanDerWaalsContact CA-CZ 3.45Å; L254-Y258 WeakPolarHBondContact O-CB 3.46Å; L254-Y258 PolarHBondContact O-N 3.21Å; E255-Y258 PolarHBondContact O-N 3.46Å |
| 259 | N | 84.8 | Confident | 94.7 | Very high | 136 Ų | 136 | 64.3 Ų | 64.3 | 73% | 0.727 | 30% | 0.303 | S | S | * | . | trans | -112.7 | 0 | 178.9 | -70.5 | -19.7 | 0 | 0 | 0 | 113.8 | S44 L45 R132 | S44-N259 WeakPolarHBondContact CB-ND2 3.47Å; L45-N259 PolarHBondContact O-N 3.27Å; R132-N259 PolarHBondContact NH1-O 3.46Å; R132-N259 PolarHBondContact NH2-O 2.83Å |
Retrieved 259 of 259 residues in 156.6 ms
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