| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 51.9 | Low | 49.5 | Very low | 239 Ų | 239 | 110.1 Ų | 110.1 | 100% | 1.177 | 68% | 0.675 | S | S | * | * | 0 | -1.5 | 0 | -93.7 | 174.4 | 160.1 | 0 | 0 | 114.1 | |||||
| 2 | S | 50.2 | Low | 50.8 | Low | 101 Ų | 101 | 117.5 Ų | 117.5 | 71% | 0.706 | 68% | 0.681 | S | S | * | * | trans | -98.7 | -13.4 | -177 | 24.9 | 0 | 0 | 0 | 0 | 115.6 | T5 | S2-T5 PolarHBondContact O-OG1 3.41Å; S2-T5 VanDerWaalsContact O-OG1 3.09Å | ||
| 3 | A | 50.9 | Low | 52.5 | Low | 82 Ų | 82 | 112 Ų | 112 | 68% | 0.678 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -17.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 4 | N | 48.3 | Very low | 54 | Low | 137 Ų | 137 | 110.8 Ų | 110.8 | 73% | 0.733 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -82.7 | -14.3 | -178.6 | -86.2 | -2.9 | 0 | 0 | 0 | 114 | ||
| 5 | T | 51.3 | Low | 55.3 | Low | 96 Ų | 96 | 107.3 Ų | 107.3 | 59% | 0.589 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -79.2 | -31.2 | -177.2 | 1 | 0 | 0 | 0 | 0 | 112.6 | S2 | S2-T5 PolarHBondContact O-OG1 3.41Å; S2-T5 VanDerWaalsContact O-OG1 3.09Å |
| 6 | E | 44.3 | Very low | 56.8 | Low | 168 Ų | 168 | 104.1 Ų | 104.1 | 79% | 0.785 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -79 | -32 | 179.9 | -71.7 | -177.5 | 158.7 | 0 | 0 | 112.7 | Q8 G9 | E6-Q8 VanDerWaalsContact C-N 3.28Å; E6-Q8 PolarHBondContact O-N 3Å; E6-G9 PolarHBondContact O-N 3.17Å |
| 7 | A | 48.4 | Very low | 58.3 | Low | 72 Ų | 72 | 104.2 Ų | 104.2 | 60% | 0.595 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -68.6 | -25.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 8 | Q | 46.4 | Very low | 59.7 | Low | 139 Ų | 139 | 102.2 Ų | 102.2 | 65% | 0.65 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -75.1 | -24.5 | -179.6 | -124.7 | -179.6 | -11.8 | 0 | 0 | 113.3 | E6 | E6-Q8 VanDerWaalsContact C-N 3.28Å; E6-Q8 PolarHBondContact O-N 3Å |
| 9 | G | 47 | Very low | 60.8 | Low | 51 Ų | 51 | 102.7 Ų | 102.7 | 53% | 0.526 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -71.8 | -40.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | E6 | E6-G9 PolarHBondContact O-N 3.17Å |
| 10 | S | 45.8 | Very low | 62.1 | Low | 94 Ų | 94 | 102.6 Ų | 102.6 | 66% | 0.657 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -68.1 | -36.8 | 179.2 | -179.9 | 0 | 0 | 0 | 0 | 112.5 | ||
| 11 | G | 60.6 | Low | 63.3 | Low | 32 Ų | 32 | 100.6 Ų | 100.6 | 33% | 0.33 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68.7 | -35.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | G13 L14 E15 | G11-G13 PolarHBondContact O-N 2.97Å; G11-L14 PolarHBondContact O-N 2.83Å; G11-E15 WeakPolarHBondContact O-CG 3.25Å; G11-E15 PolarHBondContact O-N 2.99Å |
| 12 | R | 64.3 | Low | 64.8 | Low | 199 Ų | 199 | 89.7 Ų | 89.7 | 75% | 0.751 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66 | -37.8 | -179.5 | -75.2 | 179.5 | 88.9 | 157.1 | 3.1 | 112.5 | E15 A16 | R12-E15 PolarHBondContact O-N 2.87Å; R12-A16 WeakPolarHBondContact O-CB 3.36Å; R12-A16 PolarHBondContact O-N 2.95Å |
| 13 | G | 73.2 | Confident | 66.6 | Low | 46 Ų | 46 | 88.5 Ų | 88.5 | 47% | 0.474 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | G11 E15 A16 M17 | G11-G13 PolarHBondContact O-N 2.97Å; G13-E15 PolarHBondContact O-N 3.46Å; G13-A16 PolarHBondContact O-N 3.04Å; G13-M17 WeakPolarHBondContact O-CB 3.45Å; G13-M17 PolarHBondContact O-N 3.17Å |
| 14 | L | 74.2 | Confident | 68.4 | Low | 95 Ų | 95 | 86.8 Ų | 86.8 | 50% | 0.497 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.1 | -36.8 | 178.9 | -144 | 100.5 | 0 | 0 | 0 | 112.5 | G11 M17 K18 | G11-L14 PolarHBondContact O-N 2.83Å; L14-M17 HydrophobicContact CD1-CE 3.88Å; L14-M17 HydrophobicContact CG-CE 3.99Å; L14-K18 WeakPolarHBondContact O-CG 3.33Å; L14-K18 PolarHBondContact O-N 2.66Å; L14-K18 VanDerWaalsContact O-N 3.12Å |
| 15 | E | 72.9 | Confident | 70.4 | Confident | 59 Ų | 59 | 82.1 Ų | 82.1 | 28% | 0.276 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -70.7 | -41.8 | 175.1 | -74.9 | -169.3 | -172.1 | 0 | 0 | 113.2 | G11 R12 G13 M17 K18 W19 T62 T63 | G11-E15 WeakPolarHBondContact O-CG 3.25Å; G11-E15 PolarHBondContact O-N 2.99Å; R12-E15 PolarHBondContact O-N 2.87Å; G13-E15 PolarHBondContact O-N 3.46Å; E15-M17 VanDerWaalsContact C-N 3.28Å; E15-M17 PolarHBondContact O-N 3.13Å; E15-K18 PolarHBondContact O-N 3.37Å; E15-W19 PolarHBondContact O-N 3.5Å; E15-W19 VanDerWaalsContact O-N 3.12Å; E15-T62 HydrophobicContact CG-CG2 4.48Å; E15-T63 VanDerWaalsContact OE1-CB 3.26Å; E15-T63 WeakPolarHBondContact OE1-CB 3.47Å; E15-T63 WeakPolarHBondContact OE1-CG2 3.3Å; E15-T63 PolarHBondContact OE1-OG1 3.32Å; E15-T63 PolarHBondContact OE2-OG1 3.44Å; E15-T63 VanDerWaalsContact OE2-OG1 3.11Å |
| 16 | A | 79.5 | Confident | 72 | Confident | 56 Ų | 56 | 81 Ų | 81 | 46% | 0.463 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59.6 | -43.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | R12 G13 K18 W19 V20 | R12-A16 WeakPolarHBondContact O-CB 3.36Å; R12-A16 PolarHBondContact O-N 2.95Å; G13-A16 PolarHBondContact O-N 3.04Å; A16-K18 PolarHBondContact O-N 3.48Å; A16-W19 PolarHBondContact O-N 2.62Å; A16-V20 WeakPolarHBondContact O-CG2 3.27Å; A16-V20 PolarHBondContact O-N 3.32Å |
| 17 | M | 82.5 | Confident | 74.2 | Confident | 106 Ų | 106 | 77.6 Ų | 77.6 | 52% | 0.522 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61 | -42 | 176.2 | -177.6 | 172.9 | 44.2 | 0 | 0 | 112.5 | G13 L14 E15 W19 V20 V21 | G13-M17 WeakPolarHBondContact O-CB 3.45Å; G13-M17 PolarHBondContact O-N 3.17Å; L14-M17 HydrophobicContact CD1-CE 3.88Å; L14-M17 HydrophobicContact CG-CE 3.99Å; E15-M17 VanDerWaalsContact C-N 3.28Å; E15-M17 PolarHBondContact O-N 3.13Å; M17-W19 VanDerWaalsContact C-N 3.34Å; M17-W19 PolarHBondContact O-N 2.83Å; M17-V20 PolarHBondContact O-N 3.05Å; M17-V21 WeakPolarHBondContact O-CG2 3.13Å; M17-V21 PolarHBondContact O-N 2.92Å |
| 18 | K | 82.3 | Confident | 76 | Confident | 67 Ų | 67 | 78.1 Ų | 78.1 | 29% | 0.291 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -60.8 | -41.8 | 174.9 | -73.6 | 174.5 | 180 | -178.9 | 0 | 112.2 | L14 E15 A16 V21 V22 V58 L61 | L14-K18 WeakPolarHBondContact O-CG 3.33Å; L14-K18 PolarHBondContact O-N 2.66Å; L14-K18 VanDerWaalsContact O-N 3.12Å; E15-K18 PolarHBondContact O-N 3.37Å; A16-K18 PolarHBondContact O-N 3.48Å; K18-V21 PolarHBondContact O-N 2.78Å; K18-V22 WeakPolarHBondContact O-CG2 3.27Å; K18-V22 PolarHBondContact O-N 2.81Å; K18-V58 HydrophobicContact CB-CG1 4.41Å; K18-L61 PolarHBondContact NZ-O 2.97Å |
| 19 | W | 81.6 | Confident | 77.8 | Confident | 113 Ų | 113 | 71.7 Ų | 71.7 | 43% | 0.428 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.6 | -38.4 | 175.6 | -85.2 | 101.6 | 0 | 0 | 0 | 112.8 | E15 A16 M17 V21 V22 V23 | E15-W19 PolarHBondContact O-N 3.5Å; E15-W19 VanDerWaalsContact O-N 3.12Å; A16-W19 PolarHBondContact O-N 2.62Å; M17-W19 VanDerWaalsContact C-N 3.34Å; M17-W19 PolarHBondContact O-N 2.83Å; W19-V21 VanDerWaalsContact C-N 3.3Å; W19-V21 PolarHBondContact O-N 2.85Å; W19-V22 PolarHBondContact O-N 2.81Å; W19-V23 WeakPolarHBondContact O-CG2 3.39Å; W19-V23 PolarHBondContact O-N 2.88Å |
| 20 | V | 86.8 | Confident | 79.6 | Confident | 99 Ų | 99 | 74.7 Ų | 74.7 | 60% | 0.6 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -60.4 | -42.2 | 173.1 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | A16 M17 V23 A24 | A16-V20 WeakPolarHBondContact O-CG2 3.27Å; A16-V20 PolarHBondContact O-N 3.32Å; M17-V20 PolarHBondContact O-N 3.05Å; V20-V23 PolarHBondContact O-N 3.32Å; V20-A24 VanDerWaalsContact O-CB 3.27Å; V20-A24 WeakPolarHBondContact O-CB 3.4Å; V20-A24 PolarHBondContact O-N 3.25Å |
| 21 | V | 87.1 | Confident | 81.5 | Confident | 62 Ų | 62 | 73.8 Ų | 73.8 | 38% | 0.376 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.7 | -42.5 | 175.1 | 172.9 | 0 | 0 | 0 | 0 | 111.8 | M17 K18 W19 A24 L25 V58 | M17-V21 WeakPolarHBondContact O-CG2 3.13Å; M17-V21 PolarHBondContact O-N 2.92Å; K18-V21 PolarHBondContact O-N 2.78Å; W19-V21 VanDerWaalsContact C-N 3.3Å; W19-V21 PolarHBondContact O-N 2.85Å; V21-A24 PolarHBondContact O-N 2.7Å; V21-L25 HydrophobicContact CG1-CD1 4.06Å; V21-L25 HydrophobicContact CG1-CG 4.42Å; V21-L25 WeakPolarHBondContact O-CB 3.08Å; V21-L25 WeakPolarHBondContact O-CG 3.24Å; V21-L25 PolarHBondContact O-N 3.44Å; V21-V58 HydrophobicContact CG1-CG1 4.28Å; V21-V58 HydrophobicContact CG1-CG2 4.49Å |
| 22 | V | 84 | Confident | 82.4 | Confident | 9 Ų | 9 | 73.1 Ų | 73.1 | 6% | 0.055 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61 | -47.6 | 176.4 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | K18 W19 A24 L25 L26 A55 V58 A59 | K18-V22 WeakPolarHBondContact O-CG2 3.27Å; K18-V22 PolarHBondContact O-N 2.81Å; W19-V22 PolarHBondContact O-N 2.81Å; V22-A24 VanDerWaalsContact C-N 3.34Å; V22-A24 PolarHBondContact O-N 3.31Å; V22-L25 PolarHBondContact O-N 2.9Å; V22-L26 HydrophobicContact CG1-CD1 4.28Å; V22-L26 WeakPolarHBondContact O-CG 3.5Å; V22-L26 PolarHBondContact O-N 3.4Å; V22-A55 HydrophobicContact CG1-CB 4.34Å; V22-V58 HydrophobicContact CG2-CB 3.87Å; V22-V58 HydrophobicContact CG2-CG1 3.69Å; V22-A59 HydrophobicContact CG2-CB 4.16Å |
| 23 | V | 87.3 | Confident | 83.2 | Confident | 77 Ų | 77 | 66.6 Ų | 66.6 | 47% | 0.467 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 178.1 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | W19 V20 L26 L27 | W19-V23 WeakPolarHBondContact O-CG2 3.39Å; W19-V23 PolarHBondContact O-N 2.88Å; V20-V23 PolarHBondContact O-N 3.32Å; V23-L26 PolarHBondContact O-N 3.34Å; V23-L27 HydrophobicContact CG1-CD1 3.96Å; V23-L27 HydrophobicContact CG1-CG 4.36Å; V23-L27 WeakPolarHBondContact O-CB 3.29Å; V23-L27 WeakPolarHBondContact O-CG 3.27Å; V23-L27 PolarHBondContact O-N 2.94Å |
| 24 | A | 89.3 | Confident | 83.5 | Confident | 45 Ų | 45 | 72.9 Ų | 72.9 | 37% | 0.372 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V20 V21 V22 L26 L27 V28 | V20-A24 VanDerWaalsContact O-CB 3.27Å; V20-A24 WeakPolarHBondContact O-CB 3.4Å; V20-A24 PolarHBondContact O-N 3.25Å; V21-A24 PolarHBondContact O-N 2.7Å; V22-A24 VanDerWaalsContact C-N 3.34Å; V22-A24 PolarHBondContact O-N 3.31Å; A24-L26 PolarHBondContact O-N 3.2Å; A24-L27 PolarHBondContact O-N 2.91Å; A24-V28 WeakPolarHBondContact O-CB 3.28Å; A24-V28 VanDerWaalsContact O-CG2 3.26Å; A24-V28 WeakPolarHBondContact O-CG2 3.38Å; A24-V28 PolarHBondContact O-N 3.17Å |
| 25 | L | 88.7 | Confident | 83.7 | Confident | 40 Ų | 40 | 74.1 Ų | 74.1 | 21% | 0.209 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 177.4 | -75.3 | 171.4 | 0 | 0 | 0 | 112.3 | V21 V22 V28 A29 L51 A54 A55 V58 | V21-L25 HydrophobicContact CG1-CD1 4.06Å; V21-L25 HydrophobicContact CG1-CG 4.42Å; V21-L25 WeakPolarHBondContact O-CB 3.08Å; V21-L25 WeakPolarHBondContact O-CG 3.24Å; V21-L25 PolarHBondContact O-N 3.44Å; V22-L25 PolarHBondContact O-N 2.9Å; L25-V28 PolarHBondContact O-N 2.9Å; L25-A29 WeakPolarHBondContact O-CB 3.3Å; L25-A29 PolarHBondContact O-N 2.95Å; L25-L51 HydrophobicContact CD2-CD2 3.73Å; L25-A54 HydrophobicContact CD1-CB 4.25Å; L25-A55 HydrophobicContact CB-CB 3.97Å; L25-A55 HydrophobicContact CD1-CB 4.32Å; L25-V58 HydrophobicContact CD1-CG2 4.42Å |
| 26 | L | 86.8 | Confident | 83.9 | Confident | 73 Ų | 73 | 78.1 Ų | 78.1 | 38% | 0.382 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67.2 | -41.2 | 176.1 | -71.2 | 174.6 | 0 | 0 | 0 | 112.1 | V22 V23 A24 A29 I30 I52 A55 | V22-L26 HydrophobicContact CG1-CD1 4.28Å; V22-L26 WeakPolarHBondContact O-CG 3.5Å; V22-L26 PolarHBondContact O-N 3.4Å; V23-L26 PolarHBondContact O-N 3.34Å; A24-L26 PolarHBondContact O-N 3.2Å; L26-A29 WeakPolarHBondContact O-CB 3.43Å; L26-A29 PolarHBondContact O-N 3.02Å; L26-I30 VanDerWaalsContact O-CG1 3.31Å; L26-I30 WeakPolarHBondContact O-CG1 3.42Å; L26-I30 PolarHBondContact O-N 3.38Å; L26-I52 HydrophobicContact CD2-CG1 4.38Å; L26-A55 HydrophobicContact CD2-CB 4.13Å; L26-A55 HydrophobicContact CG-CB 4.13Å |
| 27 | L | 88.7 | Confident | 83.4 | Confident | 96 Ų | 96 | 84.1 Ų | 84.1 | 50% | 0.503 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 174.5 | -74.4 | 173.5 | 0 | 0 | 0 | 111.2 | V23 A24 A29 I30 V31 | V23-L27 HydrophobicContact CG1-CD1 3.96Å; V23-L27 HydrophobicContact CG1-CG 4.36Å; V23-L27 WeakPolarHBondContact O-CB 3.29Å; V23-L27 WeakPolarHBondContact O-CG 3.27Å; V23-L27 PolarHBondContact O-N 2.94Å; A24-L27 PolarHBondContact O-N 2.91Å; L27-A29 VanDerWaalsContact C-N 3.29Å; L27-A29 PolarHBondContact O-N 3.03Å; L27-I30 PolarHBondContact O-N 3.32Å; L27-V31 VanDerWaalsContact O-CB 3.25Å; L27-V31 WeakPolarHBondContact O-CB 3.34Å; L27-V31 VanDerWaalsContact O-CG2 3.23Å; L27-V31 WeakPolarHBondContact O-CG2 3.22Å; L27-V31 PolarHBondContact O-N 2.99Å |
| 28 | V | 87.5 | Confident | 82.9 | Confident | 82 Ų | 82 | 86.9 Ų | 86.9 | 50% | 0.497 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62 | -37.9 | 174.6 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | A24 L25 G32 L51 | A24-V28 WeakPolarHBondContact O-CB 3.28Å; A24-V28 VanDerWaalsContact O-CG2 3.26Å; A24-V28 WeakPolarHBondContact O-CG2 3.38Å; A24-V28 PolarHBondContact O-N 3.17Å; L25-V28 PolarHBondContact O-N 2.9Å; V28-G32 WeakPolarHBondContact O-CA 3.42Å; V28-G32 PolarHBondContact O-N 2.93Å; V28-L51 HydrophobicContact CG1-CD1 3.9Å |
| 29 | A | 84 | Confident | 82.5 | Confident | 5 Ų | 5 | 87.1 Ų | 87.1 | 4% | 0.041 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | L25 L26 L27 N33 L51 | L25-A29 WeakPolarHBondContact O-CB 3.3Å; L25-A29 PolarHBondContact O-N 2.95Å; L26-A29 WeakPolarHBondContact O-CB 3.43Å; L26-A29 PolarHBondContact O-N 3.02Å; L27-A29 VanDerWaalsContact C-N 3.29Å; L27-A29 PolarHBondContact O-N 3.03Å; A29-N33 WeakPolarHBondContact O-CB 3.45Å; A29-N33 PolarHBondContact O-N 2.89Å; A29-L51 HydrophobicContact CB-CB 3.91Å; A29-L51 HydrophobicContact CB-CD1 4.08Å |
| 30 | I | 84.7 | Confident | 82.3 | Confident | 113 Ų | 113 | 89 Ų | 89 | 58% | 0.579 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -68.7 | -48.3 | 179.6 | -65.5 | 164.6 | 0 | 0 | 0 | 111.2 | L26 L27 N33 Y34 | L26-I30 VanDerWaalsContact O-CG1 3.31Å; L26-I30 WeakPolarHBondContact O-CG1 3.42Å; L26-I30 PolarHBondContact O-N 3.38Å; L27-I30 PolarHBondContact O-N 3.32Å; I30-N33 WeakPolarHBondContact O-CB 3.43Å; I30-N33 PolarHBondContact O-N 2.7Å; I30-Y34 PolarHBondContact O-N 2.93Å |
| 31 | V | 85.5 | Confident | 81.8 | Confident | 76 Ų | 76 | 91.2 Ų | 91.2 | 46% | 0.461 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -69.7 | -43.5 | -177.6 | 172.7 | 0 | 0 | 0 | 0 | 110.5 | L27 N33 Y34 L35 | L27-V31 VanDerWaalsContact O-CB 3.25Å; L27-V31 WeakPolarHBondContact O-CB 3.34Å; L27-V31 VanDerWaalsContact O-CG2 3.23Å; L27-V31 WeakPolarHBondContact O-CG2 3.22Å; L27-V31 PolarHBondContact O-N 2.99Å; V31-N33 VanDerWaalsContact C-N 3.28Å; V31-N33 PolarHBondContact O-N 2.93Å; V31-Y34 PolarHBondContact O-N 3.47Å; V31-L35 HydrophobicContact CG1-CD1 3.38Å; V31-L35 PolarHBondContact O-N 2.97Å |
| 32 | G | 79.7 | Confident | 81.5 | Confident | 18 Ų | 18 | 92.8 Ų | 92.8 | 19% | 0.186 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -60.2 | -38.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V28 Y34 L35 Y36 | V28-G32 WeakPolarHBondContact O-CA 3.42Å; V28-G32 PolarHBondContact O-N 2.93Å; G32-Y34 PolarHBondContact O-N 2.88Å; G32-L35 PolarHBondContact O-N 2.93Å; G32-Y36 WeakPolarHBondContact O-CB 3.34Å; G32-Y36 VanDerWaalsContact O-CD2 3.22Å; G32-Y36 WeakPolarHBondContact O-CD2 3.5Å; G32-Y36 PolarHBondContact O-N 2.76Å |
| 33 | N | 80.5 | Confident | 81.4 | Confident | 61 Ų | 61 | 97.8 Ų | 97.8 | 33% | 0.326 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.4 | -31.2 | 173.2 | -172.2 | 66 | 0 | 0 | 0 | 112.3 | A29 I30 V31 R44 V48 | A29-N33 WeakPolarHBondContact O-CB 3.45Å; A29-N33 PolarHBondContact O-N 2.89Å; I30-N33 WeakPolarHBondContact O-CB 3.43Å; I30-N33 PolarHBondContact O-N 2.7Å; V31-N33 VanDerWaalsContact C-N 3.28Å; V31-N33 PolarHBondContact O-N 2.93Å; N33-R44 PolarHBondContact ND2-NH2 3.18Å; N33-R44 PolarHBondContact O-NE 3.04Å; N33-R44 PolarHBondContact O-NH2 2.78Å; N33-R44 PolarHBondContact OD1-NE 2.93Å; N33-R44 PolarHBondContact OD1-NH2 2.82Å; N33-V48 HydrophobicContact CB-CG2 4.03Å |
| 34 | Y | 80.4 | Confident | 81 | Confident | 178 Ų | 178 | 97.2 Ų | 97.2 | 70% | 0.698 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -81.5 | -42.6 | 177.7 | -165.2 | -97.8 | 0 | 0 | 0 | 113.2 | I30 V31 G32 | I30-Y34 PolarHBondContact O-N 2.93Å; V31-Y34 PolarHBondContact O-N 3.47Å; G32-Y34 PolarHBondContact O-N 2.88Å |
| 35 | L | 77.4 | Confident | 80.7 | Confident | 122 Ų | 122 | 97.4 Ų | 97.4 | 64% | 0.639 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -71.7 | -39.3 | -178 | -91.6 | 130.9 | 0 | 0 | 0 | 113.4 | V31 G32 R37 | V31-L35 HydrophobicContact CG1-CD1 3.38Å; V31-L35 PolarHBondContact O-N 2.97Å; G32-L35 PolarHBondContact O-N 2.93Å; L35-R37 PolarHBondContact O-N 3.38Å; L35-R37 VanDerWaalsContact O-N 3.13Å |
| 36 | Y | 77.1 | Confident | 80.6 | Confident | 143 Ų | 143 | 100.5 Ų | 100.5 | 56% | 0.561 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | 42.5 | -178 | -63.7 | -70.6 | 0 | 0 | 0 | 112.4 | G32 D38 I39 | G32-Y36 WeakPolarHBondContact O-CB 3.34Å; G32-Y36 VanDerWaalsContact O-CD2 3.22Å; G32-Y36 WeakPolarHBondContact O-CD2 3.5Å; G32-Y36 PolarHBondContact O-N 2.76Å; Y36-D38 PolarHBondContact O-N 2.73Å; Y36-I39 HydrophobicContact CD1-CD1 3.48Å; Y36-I39 VanDerWaalsContact CD1-CD1 3.48Å; Y36-I39 HydrophobicContact CD1-CG1 4.35Å; Y36-I39 HydrophobicContact CE1-CD1 4.27Å; Y36-I39 HydrophobicContact CG-CD1 4.06Å; Y36-I39 PolarHBondContact O-N 2.78Å |
| 37 | R | 70.6 | Confident | 80.5 | Confident | 182 Ų | 182 | 99.4 Ų | 99.4 | 69% | 0.687 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -24.3 | -179.7 | -154.6 | 175.6 | -166.7 | 176.9 | 3.7 | 112.7 | L35 | L35-R37 PolarHBondContact O-N 3.38Å; L35-R37 VanDerWaalsContact O-N 3.13Å |
| 38 | D | 70.3 | Confident | 80.4 | Confident | 163 Ų | 163 | 96.2 Ų | 96.2 | 87% | 0.872 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -3.1 | -175.4 | -56.7 | -37.5 | 0 | 0 | 0 | 114.3 | Y36 | Y36-D38 PolarHBondContact O-N 2.73Š|
| 39 | I | 74.3 | Confident | 80.3 | Confident | 73 Ų | 73 | 96.9 Ų | 96.9 | 37% | 0.374 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -88.1 | 151 | 177.8 | -66 | -176.6 | 0 | 0 | 0 | 111 | Y36 L41 L43 | Y36-I39 HydrophobicContact CD1-CD1 3.48Å; Y36-I39 VanDerWaalsContact CD1-CD1 3.48Å; Y36-I39 HydrophobicContact CD1-CG1 4.35Å; Y36-I39 HydrophobicContact CE1-CD1 4.27Å; Y36-I39 HydrophobicContact CG-CD1 4.06Å; Y36-I39 PolarHBondContact O-N 2.78Å; I39-L41 PolarHBondContact O-N 2.91Å; I39-L43 HydrophobicContact CG2-CB 4.22Å; I39-L43 HydrophobicContact CG2-CD2 3.94Å |
| 40 | M | 78.4 | Confident | 80.6 | Confident | 153 Ų | 153 | 101.6 Ų | 101.6 | 75% | 0.754 | 52% | 0.524 | S | S | * | . | trans | -42.1 | 122.8 | 169.8 | -72.4 | -78.5 | 161.6 | 0 | 0 | 112.5 | P42 L43 R44 | M40-P42 VanDerWaalsContact C-CD 3.42Å; M40-L43 PolarHBondContact O-N 3Å; M40-L43 VanDerWaalsContact O-N 3.13Å; M40-R44 PolarHBondContact O-N 2.85Å | ||
| 41 | L | 75.3 | Confident | 80.7 | Confident | 145 Ų | 145 | 98.4 Ų | 98.4 | 76% | 0.759 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -47.6 | -43.4 | -177 | -162.5 | 131.4 | 0 | 0 | 0 | 115.6 | I39 L43 A45 | I39-L41 PolarHBondContact O-N 2.91Å; L41-L43 PolarHBondContact O-N 3.18Å; L41-A45 PolarHBondContact O-N 3.27Å; L41-A45 VanDerWaalsContact O-N 3.16Å |
| 42 | P | 80.6 | Confident | 80.8 | Confident | 94 Ų | 94 | 98.9 Ų | 98.9 | 61% | 0.61 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.5 | -35 | -179.4 | 24.7 | -34.5 | 0 | 0 | 0 | 113.8 | M40 A45 L46 | M40-P42 VanDerWaalsContact C-CD 3.42Å; P42-A45 PolarHBondContact O-N 3.15Å; P42-L46 WeakPolarHBondContact O-CB 3.41Å; P42-L46 PolarHBondContact O-N 2.94Å |
| 43 | L | 83.1 | Confident | 81.1 | Confident | 115 Ų | 115 | 101.1 Ų | 101.1 | 60% | 0.602 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -69.3 | -41 | -178.1 | -161.1 | 85.6 | 0 | 0 | 0 | 111.1 | I39 M40 L41 L46 A47 | I39-L43 HydrophobicContact CG2-CB 4.22Å; I39-L43 HydrophobicContact CG2-CD2 3.94Å; M40-L43 PolarHBondContact O-N 3Å; M40-L43 VanDerWaalsContact O-N 3.13Å; L41-L43 PolarHBondContact O-N 3.18Å; L43-L46 PolarHBondContact O-N 3.44Å; L43-A47 PolarHBondContact O-N 2.66Å |
| 44 | R | 79.4 | Confident | 81.5 | Confident | 64 Ų | 64 | 100.2 Ų | 100.2 | 24% | 0.242 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -63 | -46 | 175.3 | 175 | 178.6 | 160.1 | -174.2 | -2 | 111.8 | N33 M40 L46 A47 V48 | N33-R44 PolarHBondContact ND2-NH2 3.18Å; N33-R44 PolarHBondContact O-NE 3.04Å; N33-R44 PolarHBondContact O-NH2 2.78Å; N33-R44 PolarHBondContact OD1-NE 2.93Å; N33-R44 PolarHBondContact OD1-NH2 2.82Å; M40-R44 PolarHBondContact O-N 2.85Å; R44-L46 VanDerWaalsContact C-N 3.3Å; R44-L46 PolarHBondContact O-N 2.84Å; R44-A47 PolarHBondContact O-N 3.22Å; R44-V48 WeakPolarHBondContact O-CG2 3.42Å; R44-V48 PolarHBondContact O-N 3.3Å |
| 45 | A | 81.5 | Confident | 81.8 | Confident | 50 Ų | 50 | 91.9 Ų | 91.9 | 41% | 0.413 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.8 | -43.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L41 P42 V48 V49 | L41-A45 PolarHBondContact O-N 3.27Å; L41-A45 VanDerWaalsContact O-N 3.16Å; P42-A45 PolarHBondContact O-N 3.15Å; A45-V48 PolarHBondContact O-N 3Å; A45-V49 VanDerWaalsContact O-CG2 3.26Å; A45-V49 WeakPolarHBondContact O-CG2 3.14Å; A45-V49 PolarHBondContact O-N 3.22Å |
| 46 | L | 87.6 | Confident | 82.1 | Confident | 104 Ų | 104 | 87.6 Ų | 87.6 | 55% | 0.545 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.4 | -43.4 | 178.2 | -168 | 148.8 | 0 | 0 | 0 | 112 | P42 L43 R44 V48 V49 I50 | P42-L46 WeakPolarHBondContact O-CB 3.41Å; P42-L46 PolarHBondContact O-N 2.94Å; L43-L46 PolarHBondContact O-N 3.44Å; R44-L46 VanDerWaalsContact C-N 3.3Å; R44-L46 PolarHBondContact O-N 2.84Å; L46-V48 PolarHBondContact O-N 3.48Å; L46-V49 PolarHBondContact O-N 3.08Å; L46-I50 HydrophobicContact CD2-CD1 3.43Å; L46-I50 VanDerWaalsContact CD2-CD1 3.43Å; L46-I50 HydrophobicContact CD2-CG1 4.22Å; L46-I50 HydrophobicContact CG-CD1 4.48Å; L46-I50 WeakPolarHBondContact O-CG1 3.17Å; L46-I50 PolarHBondContact O-N 2.57Å |
| 47 | A | 84.8 | Confident | 82.5 | Confident | 50 Ų | 50 | 82.3 Ų | 82.3 | 41% | 0.413 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.3 | -43 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L43 R44 I50 L51 | L43-A47 PolarHBondContact O-N 2.66Å; R44-A47 PolarHBondContact O-N 3.22Å; A47-I50 PolarHBondContact O-N 3.02Å; A47-L51 PolarHBondContact O-N 3.29Å |
| 48 | V | 85.4 | Confident | 83.1 | Confident | 30 Ų | 30 | 75.5 Ų | 75.5 | 18% | 0.182 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -63.7 | -44 | 176.6 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | N33 R44 A45 L46 I50 L51 I52 | N33-V48 HydrophobicContact CB-CG2 4.03Å; R44-V48 WeakPolarHBondContact O-CG2 3.42Å; R44-V48 PolarHBondContact O-N 3.3Å; A45-V48 PolarHBondContact O-N 3Å; L46-V48 PolarHBondContact O-N 3.48Å; V48-I50 PolarHBondContact O-N 3.36Å; V48-L51 PolarHBondContact O-N 3.45Å; V48-I52 HydrophobicContact CG1-CD1 3.65Å; V48-I52 HydrophobicContact CG1-CG1 4.35Å; V48-I52 WeakPolarHBondContact O-CB 3.44Å; V48-I52 VanDerWaalsContact O-CG1 3.26Å; V48-I52 WeakPolarHBondContact O-CG1 3.45Å; V48-I52 PolarHBondContact O-N 3.05Å |
| 49 | V | 86.6 | Confident | 83.7 | Confident | 96 Ų | 96 | 69 Ų | 69 | 58% | 0.582 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -62 | -42.1 | 176.9 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | A45 L46 I52 A53 | A45-V49 VanDerWaalsContact O-CG2 3.26Å; A45-V49 WeakPolarHBondContact O-CG2 3.14Å; A45-V49 PolarHBondContact O-N 3.22Å; L46-V49 PolarHBondContact O-N 3.08Å; V49-I52 PolarHBondContact O-N 2.86Å; V49-A53 VanDerWaalsContact O-CB 3.25Å; V49-A53 WeakPolarHBondContact O-CB 3.5Å; V49-A53 PolarHBondContact O-N 3.47Å |
| 50 | I | 89.2 | Confident | 84.1 | Confident | 103 Ų | 103 | 70 Ų | 70 | 53% | 0.528 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.1 | -46 | 176.3 | -71.5 | 176.5 | 0 | 0 | 0 | 111.2 | L46 A47 V48 A53 A54 | L46-I50 HydrophobicContact CD2-CD1 3.43Å; L46-I50 VanDerWaalsContact CD2-CD1 3.43Å; L46-I50 HydrophobicContact CD2-CG1 4.22Å; L46-I50 HydrophobicContact CG-CD1 4.48Å; L46-I50 WeakPolarHBondContact O-CG1 3.17Å; L46-I50 PolarHBondContact O-N 2.57Å; A47-I50 PolarHBondContact O-N 3.02Å; V48-I50 PolarHBondContact O-N 3.36Å; I50-A53 PolarHBondContact O-N 3.43Å; I50-A54 WeakPolarHBondContact O-CB 3.23Å; I50-A54 PolarHBondContact O-N 3.44Å |
| 51 | L | 87.2 | Confident | 84.2 | Confident | 46 Ų | 46 | 68 Ų | 68 | 24% | 0.241 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -65.6 | -40 | 179.6 | -75.9 | 170 | 0 | 0 | 0 | 112.3 | L25 V28 A29 A47 V48 A54 A55 | L25-L51 HydrophobicContact CD2-CD2 3.73Å; V28-L51 HydrophobicContact CG1-CD1 3.9Å; A29-L51 HydrophobicContact CB-CB 3.91Å; A29-L51 HydrophobicContact CB-CD1 4.08Å; A47-L51 PolarHBondContact O-N 3.29Å; V48-L51 PolarHBondContact O-N 3.45Å; L51-A54 PolarHBondContact O-N 3.09Å; L51-A55 WeakPolarHBondContact O-CB 3.46Å; L51-A55 PolarHBondContact O-N 3.49Å |
| 52 | I | 86.7 | Confident | 84.5 | Confident | 86 Ų | 86 | 61.1 Ų | 61.1 | 44% | 0.441 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.9 | -42.6 | 174.3 | -68.2 | 170.6 | 0 | 0 | 0 | 110.4 | L26 V48 V49 A55 G56 | L26-I52 HydrophobicContact CD2-CG1 4.38Å; V48-I52 HydrophobicContact CG1-CD1 3.65Å; V48-I52 HydrophobicContact CG1-CG1 4.35Å; V48-I52 WeakPolarHBondContact O-CB 3.44Å; V48-I52 VanDerWaalsContact O-CG1 3.26Å; V48-I52 WeakPolarHBondContact O-CG1 3.45Å; V48-I52 PolarHBondContact O-N 3.05Å; V49-I52 PolarHBondContact O-N 2.86Å; I52-A55 PolarHBondContact O-N 3.3Å; I52-G56 PolarHBondContact O-N 2.62Å |
| 53 | A | 87.7 | Confident | 84.2 | Confident | 65 Ų | 65 | 60.4 Ų | 60.4 | 54% | 0.537 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.8 | -41 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V49 I50 G56 G57 | V49-A53 VanDerWaalsContact O-CB 3.25Å; V49-A53 WeakPolarHBondContact O-CB 3.5Å; V49-A53 PolarHBondContact O-N 3.47Å; I50-A53 PolarHBondContact O-N 3.43Å; A53-G56 PolarHBondContact O-N 3.06Å; A53-G57 PolarHBondContact O-N 3.49Å |
| 54 | A | 88.8 | Confident | 84.1 | Confident | 42 Ų | 42 | 61.5 Ų | 61.5 | 35% | 0.347 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.8 | -45.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L25 I50 L51 G56 G57 V58 | L25-A54 HydrophobicContact CD1-CB 4.25Å; I50-A54 WeakPolarHBondContact O-CB 3.23Å; I50-A54 PolarHBondContact O-N 3.44Å; L51-A54 PolarHBondContact O-N 3.09Å; A54-G56 VanDerWaalsContact C-N 3.32Å; A54-G56 PolarHBondContact O-N 3.3Å; A54-G57 PolarHBondContact O-N 3.18Å; A54-V58 WeakPolarHBondContact O-CG2 3.24Å; A54-V58 PolarHBondContact O-N 3.44Å |
| 55 | A | 85.3 | Confident | 84 | Confident | 4 Ų | 4 | 58.9 Ų | 58.9 | 3% | 0.033 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.4 | -43.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V22 L25 L26 L51 I52 V58 A59 | V22-A55 HydrophobicContact CG1-CB 4.34Å; L25-A55 HydrophobicContact CB-CB 3.97Å; L25-A55 HydrophobicContact CD1-CB 4.32Å; L26-A55 HydrophobicContact CD2-CB 4.13Å; L26-A55 HydrophobicContact CG-CB 4.13Å; L51-A55 WeakPolarHBondContact O-CB 3.46Å; L51-A55 PolarHBondContact O-N 3.49Å; I52-A55 PolarHBondContact O-N 3.3Å; A55-V58 PolarHBondContact O-N 2.96Å; A55-A59 WeakPolarHBondContact O-CB 3.19Å; A55-A59 PolarHBondContact O-N 2.96Å |
| 56 | G | 83.7 | Confident | 83.9 | Confident | 32 Ų | 32 | 63 Ų | 63 | 33% | 0.33 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | I52 A53 A54 A59 L60 | I52-G56 PolarHBondContact O-N 2.62Å; A53-G56 PolarHBondContact O-N 3.06Å; A54-G56 VanDerWaalsContact C-N 3.32Å; A54-G56 PolarHBondContact O-N 3.3Å; G56-A59 PolarHBondContact O-N 3.31Å; G56-L60 VanDerWaalsContact O-CG 3.3Å; G56-L60 WeakPolarHBondContact O-CG 3.5Å; G56-L60 PolarHBondContact O-N 3.18Å |
| 57 | G | 86.2 | Confident | 83.6 | Confident | 31 Ų | 31 | 61 Ų | 61 | 32% | 0.32 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.4 | -45.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | A53 A54 A59 L60 L61 | A53-G57 PolarHBondContact O-N 3.49Å; A54-G57 PolarHBondContact O-N 3.18Å; G57-A59 VanDerWaalsContact C-N 3.35Å; G57-L60 PolarHBondContact O-N 3.33Å; G57-L61 WeakPolarHBondContact O-CG 3.2Å; G57-L61 PolarHBondContact O-N 2.93Å |
| 58 | V | 83.3 | Confident | 83.4 | Confident | 39 Ų | 39 | 62.8 Ų | 62.8 | 24% | 0.236 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.2 | -39.7 | 175.7 | 178.8 | 0 | 0 | 0 | 0 | 110.9 | K18 V21 V22 L25 A54 A55 L60 L61 T62 | K18-V58 HydrophobicContact CB-CG1 4.41Å; V21-V58 HydrophobicContact CG1-CG1 4.28Å; V21-V58 HydrophobicContact CG1-CG2 4.49Å; V22-V58 HydrophobicContact CG2-CB 3.87Å; V22-V58 HydrophobicContact CG2-CG1 3.69Å; L25-V58 HydrophobicContact CD1-CG2 4.42Å; A54-V58 WeakPolarHBondContact O-CG2 3.24Å; A54-V58 PolarHBondContact O-N 3.44Å; A55-V58 PolarHBondContact O-N 2.96Å; V58-L60 PolarHBondContact O-N 3.1Å; V58-L61 PolarHBondContact O-N 2.97Å; V58-T62 PolarHBondContact O-N 3.22Å; V58-T62 PolarHBondContact O-OG1 3.23Å |
| 59 | A | 82.8 | Confident | 83.2 | Confident | 26 Ų | 26 | 64.3 Ų | 64.3 | 22% | 0.215 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | V22 A55 G56 G57 L61 T62 G65 | V22-A59 HydrophobicContact CG2-CB 4.16Å; A55-A59 WeakPolarHBondContact O-CB 3.19Å; A55-A59 PolarHBondContact O-N 2.96Å; G56-A59 PolarHBondContact O-N 3.31Å; G57-A59 VanDerWaalsContact C-N 3.35Å; A59-L61 VanDerWaalsContact C-N 3.3Å; A59-L61 PolarHBondContact O-N 3.18Å; A59-T62 VanDerWaalsContact O-CB 3.26Å; A59-T62 WeakPolarHBondContact O-CB 3.5Å; A59-T62 PolarHBondContact O-N 2.97Å; A59-T62 VanDerWaalsContact O-N 3.08Å; A59-T62 PolarHBondContact O-OG1 2.98Å; A59-G65 WeakPolarHBondContact O-CA 3.34Å |
| 60 | L | 83.1 | Confident | 83 | Confident | 94 Ų | 94 | 62 Ų | 62 | 49% | 0.492 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.3 | -28.7 | 177.2 | -73.9 | 169.5 | 0 | 0 | 0 | 113.5 | G56 G57 V58 T62 K66 V69 | G56-L60 VanDerWaalsContact O-CG 3.3Å; G56-L60 WeakPolarHBondContact O-CG 3.5Å; G56-L60 PolarHBondContact O-N 3.18Å; G57-L60 PolarHBondContact O-N 3.33Å; V58-L60 PolarHBondContact O-N 3.1Å; L60-T62 PolarHBondContact O-N 3.15Å; L60-K66 WeakPolarHBondContact O-CG 3.49Å; L60-V69 HydrophobicContact CD2-CG2 3.42Å; L60-V69 VanDerWaalsContact CD2-CG2 3.42Å |
| 61 | L | 79.4 | Confident | 82.8 | Confident | 113 Ų | 113 | 64.1 Ų | 64.1 | 59% | 0.592 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -2.6 | 174.7 | -70.5 | 169.4 | 0 | 0 | 0 | 113.7 | K18 G57 V58 A59 | K18-L61 PolarHBondContact NZ-O 2.97Å; G57-L61 WeakPolarHBondContact O-CG 3.2Å; G57-L61 PolarHBondContact O-N 2.93Å; V58-L61 PolarHBondContact O-N 2.97Å; A59-L61 VanDerWaalsContact C-N 3.3Å; A59-L61 PolarHBondContact O-N 3.18Å |
| 62 | T | 81.3 | Confident | 82.6 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -87.8 | 150 | 175.7 | -44.8 | 0 | 0 | 0 | 0 | 109.7 | E15 V58 A59 L60 K64 G65 K66 | E15-T62 HydrophobicContact CG-CG2 4.48Å; V58-T62 PolarHBondContact O-N 3.22Å; V58-T62 PolarHBondContact O-OG1 3.23Å; A59-T62 VanDerWaalsContact O-CB 3.26Å; A59-T62 WeakPolarHBondContact O-CB 3.5Å; A59-T62 PolarHBondContact O-N 2.97Å; A59-T62 VanDerWaalsContact O-N 3.08Å; A59-T62 PolarHBondContact O-OG1 2.98Å; L60-T62 PolarHBondContact O-N 3.15Å; T62-K64 VanDerWaalsContact C-N 3.29Å; T62-K64 PolarHBondContact O-N 2.83Å; T62-G65 WeakPolarHBondContact O-CA 3.43Å; T62-G65 PolarHBondContact O-N 3.43Å; T62-K66 PolarHBondContact O-N 3.08Å |
| 63 | T | 76.1 | Confident | 82.5 | Confident | 78 Ų | 78 | 69.7 Ų | 69.7 | 48% | 0.479 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -56.8 | -41.4 | -178.6 | 51.6 | 0 | 0 | 0 | 0 | 112.5 | E15 K66 A67 | E15-T63 VanDerWaalsContact OE1-CB 3.26Å; E15-T63 WeakPolarHBondContact OE1-CB 3.47Å; E15-T63 WeakPolarHBondContact OE1-CG2 3.3Å; E15-T63 PolarHBondContact OE1-OG1 3.32Å; E15-T63 PolarHBondContact OE2-OG1 3.44Å; E15-T63 VanDerWaalsContact OE2-OG1 3.11Å; T63-K66 PolarHBondContact O-N 3.33Å; T63-A67 PolarHBondContact O-N 3.33Å |
| 64 | K | 79.5 | Confident | 82.3 | Confident | 139 Ų | 139 | 72.8 Ų | 72.8 | 60% | 0.604 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62.4 | -38.9 | 171.7 | -67.7 | -168.9 | 177 | -175.9 | 0 | 113 | T62 A67 T68 | T62-K64 VanDerWaalsContact C-N 3.29Å; T62-K64 PolarHBondContact O-N 2.83Å; K64-A67 WeakPolarHBondContact O-CB 3.13Å; K64-A67 PolarHBondContact O-N 2.9Å; K64-T68 WeakPolarHBondContact O-CG2 3.41Å; K64-T68 PolarHBondContact O-N 3.21Å; K64-T68 PolarHBondContact O-OG1 2.98Å |
| 65 | G | 77.9 | Confident | 82 | Confident | 9 Ų | 9 | 72.7 Ų | 72.7 | 9% | 0.093 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -62.5 | -46.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A59 T62 A67 T68 V69 | A59-G65 WeakPolarHBondContact O-CA 3.34Å; T62-G65 WeakPolarHBondContact O-CA 3.43Å; T62-G65 PolarHBondContact O-N 3.43Å; G65-A67 VanDerWaalsContact C-N 3.3Å; G65-A67 PolarHBondContact O-N 3.41Å; G65-T68 WeakPolarHBondContact CA-OG1 3.26Å; G65-T68 PolarHBondContact O-N 3.31Å; G65-T68 VanDerWaalsContact O-N 3.16Å; G65-T68 PolarHBondContact O-OG1 3.26Å; G65-V69 WeakPolarHBondContact O-CG2 3.39Å; G65-V69 PolarHBondContact O-N 3.43Å; G65-V69 VanDerWaalsContact O-N 3.09Å |
| 66 | K | 79.8 | Confident | 81.7 | Confident | 137 Ų | 137 | 81.3 Ų | 81.3 | 60% | 0.596 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -60.2 | -39.4 | 174.2 | -66.7 | -173.3 | 180 | -177.7 | 0 | 112.3 | L60 T62 T63 V69 A70 | L60-K66 WeakPolarHBondContact O-CG 3.49Å; T62-K66 PolarHBondContact O-N 3.08Å; T63-K66 PolarHBondContact O-N 3.33Å; K66-V69 PolarHBondContact O-N 2.92Å; K66-A70 PolarHBondContact O-N 3.33Å |
| 67 | A | 81.7 | Confident | 81.6 | Confident | 61 Ų | 61 | 83.9 Ų | 83.9 | 50% | 0.504 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T63 K64 G65 V69 A70 F71 | T63-A67 PolarHBondContact O-N 3.33Å; K64-A67 WeakPolarHBondContact O-CB 3.13Å; K64-A67 PolarHBondContact O-N 2.9Å; G65-A67 VanDerWaalsContact C-N 3.3Å; G65-A67 PolarHBondContact O-N 3.41Å; A67-V69 VanDerWaalsContact C-N 3.33Å; A67-V69 PolarHBondContact O-N 3.21Å; A67-A70 PolarHBondContact O-N 2.97Å; A67-F71 PolarHBondContact O-N 2.91Å |
| 68 | T | 80.1 | Confident | 81.2 | Confident | 88 Ų | 88 | 87.6 Ų | 87.6 | 54% | 0.54 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65 | -34.4 | 176.2 | 55.5 | 0 | 0 | 0 | 0 | 113.2 | K64 G65 A72 | K64-T68 WeakPolarHBondContact O-CG2 3.41Å; K64-T68 PolarHBondContact O-N 3.21Å; K64-T68 PolarHBondContact O-OG1 2.98Å; G65-T68 WeakPolarHBondContact CA-OG1 3.26Å; G65-T68 PolarHBondContact O-N 3.31Å; G65-T68 VanDerWaalsContact O-N 3.16Å; G65-T68 PolarHBondContact O-OG1 3.26Å; T68-A72 WeakPolarHBondContact O-CB 3.31Å; T68-A72 PolarHBondContact O-N 2.9Å |
| 69 | V | 81.5 | Confident | 80.6 | Confident | 62 Ų | 62 | 89.6 Ų | 89.6 | 38% | 0.376 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -69.3 | -39.4 | 175.4 | 175.2 | 0 | 0 | 0 | 0 | 111.5 | L60 G65 K66 A67 A72 R73 | L60-V69 HydrophobicContact CD2-CG2 3.42Å; L60-V69 VanDerWaalsContact CD2-CG2 3.42Å; G65-V69 WeakPolarHBondContact O-CG2 3.39Å; G65-V69 PolarHBondContact O-N 3.43Å; G65-V69 VanDerWaalsContact O-N 3.09Å; K66-V69 PolarHBondContact O-N 2.92Å; A67-V69 VanDerWaalsContact C-N 3.33Å; A67-V69 PolarHBondContact O-N 3.21Å; V69-A72 PolarHBondContact O-N 3.27Å; V69-R73 PolarHBondContact O-N 3.13Å |
| 70 | A | 82 | Confident | 80.1 | Confident | 48 Ų | 48 | 98.2 Ų | 98.2 | 40% | 0.397 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.4 | -47.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | K66 A67 A72 R73 E74 | K66-A70 PolarHBondContact O-N 3.33Å; A67-A70 PolarHBondContact O-N 2.97Å; A70-A72 VanDerWaalsContact C-N 3.35Å; A70-A72 PolarHBondContact O-N 3.29Å; A70-R73 WeakPolarHBondContact O-CB 3.28Å; A70-R73 PolarHBondContact O-N 3.22Å; A70-R73 VanDerWaalsContact O-N 3.12Å; A70-E74 PolarHBondContact O-N 2.91Å |
| 71 | F | 85 | Confident | 79.8 | Confident | 146 Ų | 146 | 100.6 Ų | 100.6 | 64% | 0.64 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.9 | -43.1 | 175.2 | -179.6 | -98.7 | 0 | 0 | 0 | 112.6 | A67 R73 E74 A75 | A67-F71 PolarHBondContact O-N 2.91Å; F71-R73 VanDerWaalsContact C-N 3.31Å; F71-R73 PolarHBondContact O-N 2.9Å; F71-E74 PolarHBondContact O-N 3.25Å; F71-A75 WeakPolarHBondContact O-CB 3.35Å; F71-A75 PolarHBondContact O-N 2.74Å |
| 72 | A | 83.5 | Confident | 79.7 | Confident | 59 Ų | 59 | 99 Ų | 99 | 49% | 0.488 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.1 | -35.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | T68 V69 A70 R76 | T68-A72 WeakPolarHBondContact O-CB 3.31Å; T68-A72 PolarHBondContact O-N 2.9Å; V69-A72 PolarHBondContact O-N 3.27Å; A70-A72 VanDerWaalsContact C-N 3.35Å; A70-A72 PolarHBondContact O-N 3.29Å; A72-R76 WeakPolarHBondContact O-CB 3.48Å; A72-R76 PolarHBondContact O-N 2.87Å; A72-R76 VanDerWaalsContact O-N 3.13Å |
| 73 | R | 83.7 | Confident | 79.3 | Confident | 191 Ų | 191 | 106.8 Ų | 106.8 | 72% | 0.721 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67.2 | -45.5 | 173 | -84.6 | -175.4 | 179.5 | 178.3 | 0.1 | 111.4 | V69 A70 F71 R76 T77 | V69-R73 PolarHBondContact O-N 3.13Å; A70-R73 WeakPolarHBondContact O-CB 3.28Å; A70-R73 PolarHBondContact O-N 3.22Å; A70-R73 VanDerWaalsContact O-N 3.12Å; F71-R73 VanDerWaalsContact C-N 3.31Å; F71-R73 PolarHBondContact O-N 2.9Å; R73-R76 PolarHBondContact O-N 3.22Å; R73-T77 PolarHBondContact O-N 3.2Å; R73-T77 PolarHBondContact O-OG1 3.1Å |
| 74 | E | 84.7 | Confident | 79.1 | Confident | 129 Ų | 129 | 111.7 Ų | 111.7 | 60% | 0.603 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -61.7 | -47.6 | 177.3 | -75.7 | 174.5 | -177.7 | 0 | 0 | 111.7 | A70 F71 R76 T77 E78 | A70-E74 PolarHBondContact O-N 2.91Å; F71-E74 PolarHBondContact O-N 3.25Å; E74-R76 VanDerWaalsContact C-N 3.28Å; E74-R76 PolarHBondContact O-N 2.89Å; E74-T77 WeakPolarHBondContact O-CA 3.38Å; E74-T77 VanDerWaalsContact O-CB 3.32Å; E74-T77 WeakPolarHBondContact O-CB 3.37Å; E74-T77 PolarHBondContact O-N 3.47Å; E74-E78 PolarHBondContact O-N 3.4Å |
| 75 | A | 81.8 | Confident | 78.9 | Confident | 41 Ų | 41 | 108.3 Ų | 108.3 | 34% | 0.339 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -57 | -40.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F71 T77 E78 V79 | F71-A75 WeakPolarHBondContact O-CB 3.35Å; F71-A75 PolarHBondContact O-N 2.74Å; A75-T77 PolarHBondContact O-N 3.33Å; A75-E78 PolarHBondContact O-N 3.12Å; A75-V79 VanDerWaalsContact O-CG2 3.29Å; A75-V79 WeakPolarHBondContact O-CG2 3.49Å; A75-V79 PolarHBondContact O-N 3.21Å |
| 76 | R | 79.6 | Confident | 79.1 | Confident | 184 Ų | 184 | 111.6 Ų | 111.6 | 69% | 0.694 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.8 | -27.7 | 175.9 | -165.9 | 174.6 | -171.4 | 171.1 | 2.6 | 112.7 | A72 R73 E74 R80 | A72-R76 WeakPolarHBondContact O-CB 3.48Å; A72-R76 PolarHBondContact O-N 2.87Å; A72-R76 VanDerWaalsContact O-N 3.13Å; R73-R76 PolarHBondContact O-N 3.22Å; E74-R76 VanDerWaalsContact C-N 3.28Å; E74-R76 PolarHBondContact O-N 2.89Å; R76-R80 PolarHBondContact O-N 2.93Å |
| 77 | T | 79.6 | Confident | 79.3 | Confident | 86 Ų | 86 | 115.8 Ų | 115.8 | 53% | 0.528 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -77.6 | -38.6 | 179.1 | -38.1 | 0 | 0 | 0 | 0 | 110.7 | R73 E74 A75 R80 | R73-T77 PolarHBondContact O-N 3.2Å; R73-T77 PolarHBondContact O-OG1 3.1Å; E74-T77 WeakPolarHBondContact O-CA 3.38Å; E74-T77 VanDerWaalsContact O-CB 3.32Å; E74-T77 WeakPolarHBondContact O-CB 3.37Å; E74-T77 PolarHBondContact O-N 3.47Å; A75-T77 PolarHBondContact O-N 3.33Å; T77-R80 PolarHBondContact O-N 3.44Å |
| 78 | E | 78.2 | Confident | 79.4 | Confident | 110 Ų | 110 | 119.7 Ų | 119.7 | 51% | 0.514 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.7 | -40.7 | 172.7 | -76.6 | -58.6 | 138.9 | 0 | 0 | 112.8 | E74 A75 R80 K81 | E74-E78 PolarHBondContact O-N 3.4Å; A75-E78 PolarHBondContact O-N 3.12Å; E78-R80 PolarHBondContact O-N 3.15Å; E78-R80 VanDerWaalsContact O-N 3.16Å; E78-K81 WeakPolarHBondContact O-CB 3.39Å; E78-K81 PolarHBondContact O-N 2.86Å; E78-K81 IonicContact OE1-NZ 2.66Å; E78-K81 PolarHBondContact OE1-NZ 3.35Å; E78-K81 IonicContact OE2-NZ 2.69Å |
| 79 | V | 72.2 | Confident | 79.5 | Confident | 81 Ų | 81 | 120.5 Ų | 120.5 | 49% | 0.491 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -60.7 | -28.8 | 176.9 | 171.5 | 0 | 0 | 0 | 0 | 112.3 | A75 K81 V82 | A75-V79 VanDerWaalsContact O-CG2 3.29Å; A75-V79 WeakPolarHBondContact O-CG2 3.49Å; A75-V79 PolarHBondContact O-N 3.21Å; V79-K81 VanDerWaalsContact C-N 3.29Å; V79-K81 PolarHBondContact O-N 3.2Å; V79-V82 PolarHBondContact O-N 3.05Å |
| 80 | R | 70.8 | Confident | 79.8 | Confident | 207 Ų | 207 | 120.3 Ų | 120.3 | 78% | 0.781 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -18.7 | 175.6 | -83.9 | -176.7 | 173.8 | -179.3 | -1.9 | 114.1 | R76 T77 E78 V82 | R76-R80 PolarHBondContact O-N 2.93Å; T77-R80 PolarHBondContact O-N 3.44Å; E78-R80 PolarHBondContact O-N 3.15Å; E78-R80 VanDerWaalsContact O-N 3.16Å; R80-V82 VanDerWaalsContact C-N 3.3Å |
| 81 | K | 76.8 | Confident | 80.2 | Confident | 143 Ų | 143 | 123.4 Ų | 123.4 | 62% | 0.622 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -15.9 | 175.9 | -64.2 | 179.3 | -176.8 | 167.7 | 0 | 112.5 | E78 V79 I83 | E78-K81 WeakPolarHBondContact O-CB 3.39Å; E78-K81 PolarHBondContact O-N 2.86Å; E78-K81 IonicContact OE1-NZ 2.66Å; E78-K81 PolarHBondContact OE1-NZ 3.35Å; E78-K81 IonicContact OE2-NZ 2.69Å; V79-K81 VanDerWaalsContact C-N 3.29Å; V79-K81 PolarHBondContact O-N 3.2Å; K81-I83 PolarHBondContact O-N 3.27Å |
| 82 | V | 78 | Confident | 80.3 | Confident | 81 Ų | 81 | 122.2 Ų | 122.2 | 49% | 0.491 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -74.7 | 116.2 | 177.1 | -177 | 0 | 0 | 0 | 0 | 108.9 | V79 R80 W84 | V79-V82 PolarHBondContact O-N 3.05Å; R80-V82 VanDerWaalsContact C-N 3.3Å; V82-W84 VanDerWaalsContact O-CD1 3.24Å; V82-W84 PolarHBondContact O-N 3.43Å; V82-W84 VanDerWaalsContact O-N 3.1Å |
| 83 | I | 72 | Confident | 80.5 | Confident | 162 Ų | 162 | 123.3 Ų | 123.3 | 83% | 0.831 | 58% | 0.583 | S | S | * | * | trans | -72.3 | 102.9 | 172.1 | -59.6 | 168.6 | 0 | 0 | 0 | 106.9 | K81 | K81-I83 PolarHBondContact O-N 3.27Š| ||
| 84 | W | 72.9 | Confident | 81 | Confident | 182 Ų | 182 | 118.2 Ų | 118.2 | 69% | 0.689 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -72 | 138.5 | 172.2 | -68.4 | 89.3 | 0 | 0 | 0 | 109.3 | V82 | V82-W84 VanDerWaalsContact O-CD1 3.24Å; V82-W84 PolarHBondContact O-N 3.43Å; V82-W84 VanDerWaalsContact O-N 3.1Å |
| 85 | P | 74.6 | Confident | 81.3 | Confident | 67 Ų | 67 | 117.6 Ų | 117.6 | 44% | 0.435 | 57% | 0.573 | S | S | . | * | P | Polyproline II helix | trans | -54.4 | 147.1 | 173.7 | 21.5 | -30.8 | 0 | 0 | 0 | 109.8 | E89 T90 | P85-E89 HydrophobicContact CB-CB 4.05Å; P85-T90 WeakPolarHBondContact CG-OG1 3.5Å; P85-T90 PolarHBondContact O-OG1 3.26Å |
| 86 | T | 83 | Confident | 81.8 | Confident | 79 Ų | 79 | 120.8 Ų | 120.8 | 49% | 0.485 | 58% | 0.584 | S | S | . | * | P | Polyproline II helix | trans | -59.2 | 154.9 | 177.4 | 61.2 | 0 | 0 | 0 | 0 | 109.7 | Q88 E89 T90 | T86-Q88 PolarHBondContact O-N 3.42Å; T86-E89 PolarHBondContact N-OE2 2.69Å; T86-E89 PolarHBondContact O-N 3.41Å; T86-E89 VanDerWaalsContact O-N 3.09Å; T86-E89 VanDerWaalsContact OG1-CD 3.32Å; T86-E89 VanDerWaalsContact OG1-CG 3.31Å; T86-E89 WeakPolarHBondContact OG1-CG 3.45Å; T86-E89 PolarHBondContact OG1-N 3.12Å; T86-E89 PolarHBondContact OG1-OE2 3.03Å; T86-T90 PolarHBondContact O-N 3.38Å; T86-T90 PolarHBondContact O-OG1 3.16Å |
| 87 | R | 84.3 | Confident | 82.5 | Confident | 225 Ų | 225 | 116.4 Ų | 116.4 | 85% | 0.849 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -53.1 | -32.5 | 178.2 | -75.3 | -171 | 174.1 | -154.5 | -0.6 | 111.9 | L91 | R87-L91 WeakPolarHBondContact O-CB 3.44Å; R87-L91 VanDerWaalsContact O-CG 3.25Å; R87-L91 WeakPolarHBondContact O-CG 3.44Å; R87-L91 PolarHBondContact O-N 3.43Å; R87-L91 VanDerWaalsContact O-N 3.11Å |
| 88 | Q | 83.2 | Confident | 83.2 | Confident | 143 Ų | 143 | 114.7 Ų | 114.7 | 67% | 0.668 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -71.5 | -47.1 | 177.8 | -70.1 | -176.9 | -27.3 | 0 | 0 | 112.4 | T86 T90 L91 H92 | T86-Q88 PolarHBondContact O-N 3.42Å; Q88-T90 VanDerWaalsContact C-N 3.32Å; Q88-T90 PolarHBondContact O-N 2.96Å; Q88-L91 PolarHBondContact O-N 3.23Å; Q88-H92 PolarHBondContact O-CD2 3.05Å; Q88-H92 PolarHBondContact O-N 3.04Å |
| 89 | E | 82.6 | Confident | 84 | Confident | 104 Ų | 104 | 112.1 Ų | 112.1 | 49% | 0.486 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.3 | -39.9 | 176.4 | -71.5 | 164.7 | 148.9 | 0 | 0 | 112.1 | P85 T86 H92 T93 | P85-E89 HydrophobicContact CB-CB 4.05Å; T86-E89 PolarHBondContact N-OE2 2.69Å; T86-E89 PolarHBondContact O-N 3.41Å; T86-E89 VanDerWaalsContact O-N 3.09Å; T86-E89 VanDerWaalsContact OG1-CD 3.32Å; T86-E89 VanDerWaalsContact OG1-CG 3.31Å; T86-E89 WeakPolarHBondContact OG1-CG 3.45Å; T86-E89 PolarHBondContact OG1-N 3.12Å; T86-E89 PolarHBondContact OG1-OE2 3.03Å; E89-H92 PolarHBondContact O-N 3.29Å; E89-T93 WeakPolarHBondContact O-CB 3.38Å; E89-T93 WeakPolarHBondContact O-CG2 3.39Å; E89-T93 PolarHBondContact O-N 3.41Å; E89-T93 PolarHBondContact O-OG1 3.39Å |
| 90 | T | 87.1 | Confident | 85.1 | Confident | 58 Ų | 58 | 112.2 Ų | 112.2 | 36% | 0.356 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.1 | -43.4 | 176.9 | -49.8 | 0 | 0 | 0 | 0 | 110.9 | P85 T86 Q88 T93 T94 | P85-T90 WeakPolarHBondContact CG-OG1 3.5Å; P85-T90 PolarHBondContact O-OG1 3.26Å; T86-T90 PolarHBondContact O-N 3.38Å; T86-T90 PolarHBondContact O-OG1 3.16Å; Q88-T90 VanDerWaalsContact C-N 3.32Å; Q88-T90 PolarHBondContact O-N 2.96Å; T90-T93 WeakPolarHBondContact CA-OG1 3.36Å; T90-T93 PolarHBondContact O-OG1 3.31Å; T90-T93 VanDerWaalsContact O-OG1 3.11Å; T90-T94 VanDerWaalsContact O-CB 3.22Å; T90-T94 WeakPolarHBondContact O-CB 3.45Å; T90-T94 PolarHBondContact O-N 3.41Å; T90-T94 PolarHBondContact O-OG1 3.22Å |
| 91 | L | 90.3 | Very high | 86.3 | Confident | 113 Ų | 113 | 106.1 Ų | 106.1 | 59% | 0.592 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.1 | -44.4 | 177.1 | -76.9 | 172.3 | 0 | 0 | 0 | 112 | R87 Q88 T94 L95 | R87-L91 WeakPolarHBondContact O-CB 3.44Å; R87-L91 VanDerWaalsContact O-CG 3.25Å; R87-L91 WeakPolarHBondContact O-CG 3.44Å; R87-L91 PolarHBondContact O-N 3.43Å; R87-L91 VanDerWaalsContact O-N 3.11Å; Q88-L91 PolarHBondContact O-N 3.23Å; L91-T94 PolarHBondContact O-N 2.67Å; L91-L95 WeakPolarHBondContact O-CB 3.45Å; L91-L95 WeakPolarHBondContact O-CG 3.38Å; L91-L95 PolarHBondContact O-N 2.72Å |
| 92 | H | 87.3 | Confident | 87.2 | Confident | 122 Ų | 122 | 102.1 Ų | 102.1 | 57% | 0.565 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.5 | -46.6 | 178.7 | -76.2 | -60.3 | 0 | 0 | 0 | 112.4 | Q88 E89 L95 I96 | Q88-H92 PolarHBondContact O-CD2 3.05Å; Q88-H92 PolarHBondContact O-N 3.04Å; E89-H92 PolarHBondContact O-N 3.29Å; H92-L95 PolarHBondContact O-N 3.46Å; H92-I96 VanDerWaalsContact O-CG1 3.25Å; H92-I96 WeakPolarHBondContact O-CG1 2.93Å; H92-I96 PolarHBondContact O-N 3.05Å |
| 93 | T | 88.9 | Confident | 88.1 | Confident | 82 Ų | 82 | 102.2 Ų | 102.2 | 50% | 0.503 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 177.3 | 49 | 0 | 0 | 0 | 0 | 111.6 | E89 T90 I96 V97 | E89-T93 WeakPolarHBondContact O-CB 3.38Å; E89-T93 WeakPolarHBondContact O-CG2 3.39Å; E89-T93 PolarHBondContact O-N 3.41Å; E89-T93 PolarHBondContact O-OG1 3.39Å; T90-T93 WeakPolarHBondContact CA-OG1 3.36Å; T90-T93 PolarHBondContact O-OG1 3.31Å; T90-T93 VanDerWaalsContact O-OG1 3.11Å; T93-I96 PolarHBondContact O-N 2.76Å; T93-V97 VanDerWaalsContact O-CG2 3.25Å; T93-V97 WeakPolarHBondContact O-CG2 3.26Å; T93-V97 PolarHBondContact O-N 2.77Å |
| 94 | T | 92.5 | Very high | 89.2 | Confident | 84 Ų | 84 | 99.2 Ų | 99.2 | 52% | 0.515 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.2 | -42.1 | 176.3 | -55.3 | 0 | 0 | 0 | 0 | 111.9 | T90 L91 V97 A98 | T90-T94 VanDerWaalsContact O-CB 3.22Å; T90-T94 WeakPolarHBondContact O-CB 3.45Å; T90-T94 PolarHBondContact O-N 3.41Å; T90-T94 PolarHBondContact O-OG1 3.22Å; L91-T94 PolarHBondContact O-N 2.67Å; T94-V97 PolarHBondContact O-N 3.37Å; T94-A98 WeakPolarHBondContact O-CB 3.38Å; T94-A98 PolarHBondContact O-N 2.69Å |
| 95 | L | 92.4 | Very high | 90.1 | Very high | 115 Ų | 115 | 94.2 Ų | 94.2 | 60% | 0.602 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.9 | -42.4 | 176.6 | -81.9 | 169.8 | 0 | 0 | 0 | 112.2 | L91 H92 A98 A99 | L91-L95 WeakPolarHBondContact O-CB 3.45Å; L91-L95 WeakPolarHBondContact O-CG 3.38Å; L91-L95 PolarHBondContact O-N 2.72Å; H92-L95 PolarHBondContact O-N 3.46Å; L95-A98 PolarHBondContact O-N 2.72Å; L95-A99 WeakPolarHBondContact O-CB 3.45Å; L95-A99 PolarHBondContact O-N 2.97Å |
| 96 | I | 92.3 | Very high | 91 | Very high | 109 Ų | 109 | 96.8 Ų | 96.8 | 56% | 0.559 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.4 | -46.9 | 175.9 | -69.7 | 165.3 | 0 | 0 | 0 | 110.1 | H92 T93 A98 A99 V100 | H92-I96 VanDerWaalsContact O-CG1 3.25Å; H92-I96 WeakPolarHBondContact O-CG1 2.93Å; H92-I96 PolarHBondContact O-N 3.05Å; T93-I96 PolarHBondContact O-N 2.76Å; I96-A98 PolarHBondContact O-N 3.07Å; I96-A99 PolarHBondContact O-N 3.02Å; I96-V100 HydrophobicContact CG2-CG2 4.39Å; I96-V100 VanDerWaalsContact O-CG2 3.29Å; I96-V100 WeakPolarHBondContact O-CG2 3.48Å; I96-V100 PolarHBondContact O-N 3.48Å |
| 97 | V | 93.4 | Very high | 91.5 | Very high | 91 Ų | 91 | 96.7 Ų | 96.7 | 55% | 0.552 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64 | -40.9 | 179.2 | 173.7 | 0 | 0 | 0 | 0 | 111.4 | T93 T94 T101 | T93-V97 VanDerWaalsContact O-CG2 3.25Å; T93-V97 WeakPolarHBondContact O-CG2 3.26Å; T93-V97 PolarHBondContact O-N 2.77Å; T94-V97 PolarHBondContact O-N 3.37Å; V97-T101 HydrophobicContact CG1-CG2 4.47Å; V97-T101 WeakPolarHBondContact O-CB 3.48Å; V97-T101 WeakPolarHBondContact O-CG2 3.37Å; V97-T101 PolarHBondContact O-N 3.26Å; V97-T101 PolarHBondContact O-OG1 2.94Å |
| 98 | A | 94.7 | Very high | 91.8 | Very high | 51 Ų | 51 | 90.8 Ų | 90.8 | 42% | 0.421 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.8 | -41.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | T94 L95 I96 T101 A102 | T94-A98 WeakPolarHBondContact O-CB 3.38Å; T94-A98 PolarHBondContact O-N 2.69Å; L95-A98 PolarHBondContact O-N 2.72Å; I96-A98 PolarHBondContact O-N 3.07Å; A98-T101 WeakPolarHBondContact CA-OG1 3.44Å; A98-T101 PolarHBondContact O-OG1 3.04Å; A98-A102 WeakPolarHBondContact O-CB 3.15Å; A98-A102 PolarHBondContact O-N 3.23Å |
| 99 | A | 94.6 | Very high | 92.2 | Very high | 55 Ų | 55 | 93.8 Ų | 93.8 | 46% | 0.455 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66 | -45.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L95 I96 A102 V103 | L95-A99 WeakPolarHBondContact O-CB 3.45Å; L95-A99 PolarHBondContact O-N 2.97Å; I96-A99 PolarHBondContact O-N 3.02Å; A99-A102 PolarHBondContact O-N 3.15Å; A99-V103 VanDerWaalsContact O-CG2 3.31Å; A99-V103 WeakPolarHBondContact O-CG2 3.09Å; A99-V103 PolarHBondContact O-N 2.95Å |
| 100 | V | 96 | Very high | 92.4 | Very high | 84 Ų | 84 | 90.3 Ų | 90.3 | 51% | 0.509 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.8 | -42.3 | 179.1 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | I96 V103 M104 | I96-V100 HydrophobicContact CG2-CG2 4.39Å; I96-V100 VanDerWaalsContact O-CG2 3.29Å; I96-V100 WeakPolarHBondContact O-CG2 3.48Å; I96-V100 PolarHBondContact O-N 3.48Å; V100-V103 PolarHBondContact O-N 3.15Å; V100-M104 WeakPolarHBondContact O-CB 3.39Å; V100-M104 PolarHBondContact O-N 3.15Å |
| 101 | T | 96 | Very high | 92.4 | Very high | 78 Ų | 78 | 91.7 Ų | 91.7 | 48% | 0.479 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.9 | -38.2 | 177.1 | 47.6 | 0 | 0 | 0 | 0 | 112 | V97 A98 S105 | V97-T101 HydrophobicContact CG1-CG2 4.47Å; V97-T101 WeakPolarHBondContact O-CB 3.48Å; V97-T101 WeakPolarHBondContact O-CG2 3.37Å; V97-T101 PolarHBondContact O-N 3.26Å; V97-T101 PolarHBondContact O-OG1 2.94Å; A98-T101 WeakPolarHBondContact CA-OG1 3.44Å; A98-T101 PolarHBondContact O-OG1 3.04Å; T101-S105 WeakPolarHBondContact O-CB 3.25Å; T101-S105 PolarHBondContact O-N 3.22Å; T101-S105 PolarHBondContact O-OG 3.35Å |
| 102 | A | 96 | Very high | 91.9 | Very high | 60 Ų | 60 | 91 Ų | 91 | 50% | 0.496 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64 | -45.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A98 A99 S105 L106 | A98-A102 WeakPolarHBondContact O-CB 3.15Å; A98-A102 PolarHBondContact O-N 3.23Å; A99-A102 PolarHBondContact O-N 3.15Å; A102-S105 PolarHBondContact O-N 3.02Å; A102-L106 PolarHBondContact O-N 3.01Å; A102-L106 VanDerWaalsContact O-N 3.08Å |
| 103 | V | 95.7 | Very high | 91.4 | Very high | 83 Ų | 83 | 87.3 Ų | 87.3 | 50% | 0.503 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.6 | -45.3 | 177.9 | 172 | 0 | 0 | 0 | 0 | 111.3 | A99 V100 S105 L106 I107 | A99-V103 VanDerWaalsContact O-CG2 3.31Å; A99-V103 WeakPolarHBondContact O-CG2 3.09Å; A99-V103 PolarHBondContact O-N 2.95Å; V100-V103 PolarHBondContact O-N 3.15Å; V103-S105 VanDerWaalsContact C-N 3.34Å; V103-S105 PolarHBondContact O-N 3.41Å; V103-L106 PolarHBondContact O-N 3.42Å; V103-I107 HydrophobicContact CG1-CD1 3.91Å; V103-I107 WeakPolarHBondContact O-CG1 3.39Å; V103-I107 PolarHBondContact O-N 2.94Å |
| 104 | M | 95.2 | Very high | 90.9 | Very high | 99 Ų | 99 | 88.2 Ų | 88.2 | 49% | 0.488 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.6 | -40.5 | 176.6 | -79.6 | -62.7 | 111.4 | 0 | 0 | 112.3 | V100 L106 I107 L108 | V100-M104 WeakPolarHBondContact O-CB 3.39Å; V100-M104 PolarHBondContact O-N 3.15Å; M104-L106 VanDerWaalsContact C-N 3.32Å; M104-L106 PolarHBondContact O-N 2.8Å; M104-I107 HydrophobicContact CE-CD1 3.63Å; M104-I107 PolarHBondContact O-N 3.3Å; M104-L108 WeakPolarHBondContact O-CG 3.29Å; M104-L108 PolarHBondContact O-N 3.27Å |
| 105 | S | 93.1 | Very high | 90 | Very high | 76 Ų | 76 | 89 Ų | 89 | 53% | 0.531 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.2 | -39.8 | 177.2 | -58 | 0 | 0 | 0 | 0 | 112 | T101 A102 V103 W109 | T101-S105 WeakPolarHBondContact O-CB 3.25Å; T101-S105 PolarHBondContact O-N 3.22Å; T101-S105 PolarHBondContact O-OG 3.35Å; A102-S105 PolarHBondContact O-N 3.02Å; V103-S105 VanDerWaalsContact C-N 3.34Å; V103-S105 PolarHBondContact O-N 3.41Å; S105-W109 WeakPolarHBondContact O-CB 3.46Å; S105-W109 PolarHBondContact O-N 2.72Å |
| 106 | L | 93.5 | Very high | 88.9 | Confident | 122 Ų | 122 | 86.7 Ų | 86.7 | 64% | 0.639 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -68.6 | -40.4 | 178.3 | -163.1 | 153.1 | 0 | 0 | 0 | 111.9 | A102 V103 M104 W109 G110 | A102-L106 PolarHBondContact O-N 3.01Å; A102-L106 VanDerWaalsContact O-N 3.08Å; V103-L106 PolarHBondContact O-N 3.42Å; M104-L106 VanDerWaalsContact C-N 3.32Å; M104-L106 PolarHBondContact O-N 2.8Å; L106-W109 PolarHBondContact O-N 3.45Å; L106-G110 PolarHBondContact O-N 2.75Å |
| 107 | I | 92 | Very high | 87.6 | Confident | 76 Ų | 76 | 91 Ų | 91 | 39% | 0.39 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.6 | -46.4 | 175.8 | -70.7 | 167.9 | 0 | 0 | 0 | 110.9 | V103 M104 G110 L111 | V103-I107 HydrophobicContact CG1-CD1 3.91Å; V103-I107 WeakPolarHBondContact O-CG1 3.39Å; V103-I107 PolarHBondContact O-N 2.94Å; M104-I107 HydrophobicContact CE-CD1 3.63Å; M104-I107 PolarHBondContact O-N 3.3Å; I107-G110 PolarHBondContact O-N 3.5Å; I107-L111 HydrophobicContact CG2-CD1 3.75Å; I107-L111 HydrophobicContact CG2-CG 4.29Å; I107-L111 WeakPolarHBondContact O-CB 3.46Å; I107-L111 WeakPolarHBondContact O-CG 3.4Å; I107-L111 PolarHBondContact O-N 3.16Å |
| 108 | L | 91.4 | Very high | 86 | Confident | 101 Ų | 101 | 92 Ų | 92 | 53% | 0.529 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 178 | -71.3 | 174.7 | 0 | 0 | 0 | 111.4 | M104 G110 L111 D112 | M104-L108 WeakPolarHBondContact O-CG 3.29Å; M104-L108 PolarHBondContact O-N 3.27Å; L108-G110 VanDerWaalsContact C-N 3.32Å; L108-G110 PolarHBondContact O-N 2.92Å; L108-L111 PolarHBondContact O-N 3.08Å; L108-D112 WeakPolarHBondContact O-CB 3.48Å; L108-D112 PolarHBondContact O-N 2.86Å |
| 109 | W | 91 | Very high | 84.4 | Confident | 206 Ų | 206 | 92.1 Ų | 92.1 | 78% | 0.78 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.9 | -41.8 | 176.2 | -176.1 | 72.3 | 0 | 0 | 0 | 112.6 | S105 L106 G113 | S105-W109 WeakPolarHBondContact O-CB 3.46Å; S105-W109 PolarHBondContact O-N 2.72Å; L106-W109 PolarHBondContact O-N 3.45Å; W109-G113 PolarHBondContact O-N 2.69Å |
| 110 | G | 86.8 | Confident | 83 | Confident | 31 Ų | 31 | 92.7 Ų | 92.7 | 32% | 0.32 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.1 | -43.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L106 I107 L108 G113 I114 | L106-G110 PolarHBondContact O-N 2.75Å; I107-G110 PolarHBondContact O-N 3.5Å; L108-G110 VanDerWaalsContact C-N 3.32Å; L108-G110 PolarHBondContact O-N 2.92Å; G110-G113 PolarHBondContact O-N 2.74Å; G110-I114 WeakPolarHBondContact O-CG1 3.49Å; G110-I114 PolarHBondContact O-N 3.34Å; G110-I114 VanDerWaalsContact O-N 3.16Å |
| 111 | L | 87.1 | Confident | 81.6 | Confident | 88 Ų | 88 | 90.7 Ų | 90.7 | 46% | 0.461 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.8 | -44.4 | 178.9 | -75.8 | 174 | 0 | 0 | 0 | 111.8 | I107 L108 G113 I114 L115 | I107-L111 HydrophobicContact CG2-CD1 3.75Å; I107-L111 HydrophobicContact CG2-CG 4.29Å; I107-L111 WeakPolarHBondContact O-CB 3.46Å; I107-L111 WeakPolarHBondContact O-CG 3.4Å; I107-L111 PolarHBondContact O-N 3.16Å; L108-L111 PolarHBondContact O-N 3.08Å; L111-G113 VanDerWaalsContact C-N 3.33Å; L111-G113 PolarHBondContact O-N 2.8Å; L111-I114 PolarHBondContact O-N 3.26Å; L111-L115 VanDerWaalsContact O-CB 3.27Å; L111-L115 WeakPolarHBondContact O-CB 3.42Å; L111-L115 WeakPolarHBondContact O-CG 3.48Å; L111-L115 PolarHBondContact O-N 3.39Å |
| 112 | D | 79.7 | Confident | 80.5 | Confident | 99 Ų | 99 | 89 Ų | 89 | 53% | 0.529 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.7 | -42.9 | 177.4 | -77.6 | -17.4 | 0 | 0 | 0 | 111.1 | L108 I114 L115 V116 | L108-D112 WeakPolarHBondContact O-CB 3.48Å; L108-D112 PolarHBondContact O-N 2.86Å; D112-I114 PolarHBondContact O-N 3.37Å; D112-L115 PolarHBondContact O-N 3.34Å; D112-V116 VanDerWaalsContact O-CB 3.29Å; D112-V116 WeakPolarHBondContact O-CB 3.49Å; D112-V116 WeakPolarHBondContact O-CG2 3.45Å; D112-V116 PolarHBondContact O-N 3.09Å |
| 113 | G | 77.2 | Confident | 79.8 | Confident | 43 Ų | 43 | 88.3 Ų | 88.3 | 44% | 0.443 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.4 | -41 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | W109 G110 L111 R117 | W109-G113 PolarHBondContact O-N 2.69Å; G110-G113 PolarHBondContact O-N 2.74Å; L111-G113 VanDerWaalsContact C-N 3.33Å; L111-G113 PolarHBondContact O-N 2.8Å; G113-R117 PolarHBondContact O-N 2.91Å |
| 114 | I | 78.1 | Confident | 79.2 | Confident | 101 Ų | 101 | 84.6 Ų | 84.6 | 52% | 0.518 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -71.4 | -44.9 | 177.5 | -68 | 167.4 | 0 | 0 | 0 | 110.9 | G110 L111 D112 R117 L118 | G110-I114 WeakPolarHBondContact O-CG1 3.49Å; G110-I114 PolarHBondContact O-N 3.34Å; G110-I114 VanDerWaalsContact O-N 3.16Å; L111-I114 PolarHBondContact O-N 3.26Å; D112-I114 PolarHBondContact O-N 3.37Å; I114-R117 PolarHBondContact O-N 2.99Å; I114-L118 HydrophobicContact CG2-CD1 3.61Å; I114-L118 HydrophobicContact CG2-CG 4.37Å; I114-L118 WeakPolarHBondContact O-CB 3.44Å; I114-L118 WeakPolarHBondContact O-CG 3.16Å; I114-L118 PolarHBondContact O-N 3.08Å |
| 115 | L | 73.6 | Confident | 78.7 | Confident | 102 Ų | 102 | 81.9 Ų | 81.9 | 53% | 0.534 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.3 | -42.6 | 179 | -85.5 | 162 | 0 | 0 | 0 | 111.6 | L111 D112 L118 A119 | L111-L115 VanDerWaalsContact O-CB 3.27Å; L111-L115 WeakPolarHBondContact O-CB 3.42Å; L111-L115 WeakPolarHBondContact O-CG 3.48Å; L111-L115 PolarHBondContact O-N 3.39Å; D112-L115 PolarHBondContact O-N 3.34Å; L115-L118 PolarHBondContact O-N 3.32Å; L115-A119 WeakPolarHBondContact O-CA 3.5Å; L115-A119 WeakPolarHBondContact O-CB 3.38Å; L115-A119 PolarHBondContact O-N 3.48Å |
| 116 | V | 69.8 | Low | 78.4 | Confident | 66 Ų | 66 | 85.1 Ų | 85.1 | 40% | 0.4 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -57.9 | -50.3 | 174.6 | 161.9 | 0 | 0 | 0 | 0 | 110.2 | D112 L118 A119 F120 M195 | D112-V116 VanDerWaalsContact O-CB 3.29Å; D112-V116 WeakPolarHBondContact O-CB 3.49Å; D112-V116 WeakPolarHBondContact O-CG2 3.45Å; D112-V116 PolarHBondContact O-N 3.09Å; V116-L118 PolarHBondContact O-N 3.27Å; V116-A119 PolarHBondContact O-N 3.07Å; V116-F120 HydrophobicContact CG1-CD2 3.93Å; V116-F120 HydrophobicContact CG1-CE2 3.88Å; V116-F120 WeakPolarHBondContact O-CD2 3.33Å; V116-F120 PolarHBondContact O-N 3.41Å; V116-M195 HydrophobicContact CG1-SD 4.3Å |
| 117 | R | 65.5 | Low | 78.2 | Confident | 200 Ų | 200 | 80 Ų | 80 | 76% | 0.755 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -62.3 | -42.1 | -179.4 | -170.4 | 177.7 | -81 | 157.3 | -6.2 | 112.2 | G113 I114 | G113-R117 PolarHBondContact O-N 2.91Å; I114-R117 PolarHBondContact O-N 2.99Å |
| 118 | L | 60.1 | Low | 78.2 | Confident | 110 Ų | 110 | 76.4 Ų | 76.4 | 58% | 0.576 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -68.6 | -44.8 | 177 | -73.9 | 166.3 | 0 | 0 | 0 | 112.1 | I114 L115 V116 F120 S121 | I114-L118 HydrophobicContact CG2-CD1 3.61Å; I114-L118 HydrophobicContact CG2-CG 4.37Å; I114-L118 WeakPolarHBondContact O-CB 3.44Å; I114-L118 WeakPolarHBondContact O-CG 3.16Å; I114-L118 PolarHBondContact O-N 3.08Å; L115-L118 PolarHBondContact O-N 3.32Å; V116-L118 PolarHBondContact O-N 3.27Å; L118-F120 VanDerWaalsContact C-N 3.32Å; L118-F120 PolarHBondContact O-N 3.24Å; L118-S121 PolarHBondContact O-N 3.05Å; L118-S121 PolarHBondContact O-OG 2.98Å |
| 119 | A | 60 | Low | 78.2 | Confident | 54 Ų | 54 | 74.8 Ų | 74.8 | 45% | 0.446 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.8 | -39.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L115 V116 F123 | L115-A119 WeakPolarHBondContact O-CA 3.5Å; L115-A119 WeakPolarHBondContact O-CB 3.38Å; L115-A119 PolarHBondContact O-N 3.48Å; V116-A119 PolarHBondContact O-N 3.07Å; A119-F123 WeakPolarHBondContact O-CD2 3.04Å; A119-F123 WeakPolarHBondContact O-CE2 3.31Å |
| 120 | F | 65.1 | Low | 78.3 | Confident | 68 Ų | 68 | 66.4 Ų | 66.4 | 30% | 0.298 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -79.5 | -19.1 | -177.6 | -68.3 | -66.3 | 0 | 0 | 0 | 114.4 | V116 L118 G122 F123 R193 | V116-F120 HydrophobicContact CG1-CD2 3.93Å; V116-F120 HydrophobicContact CG1-CE2 3.88Å; V116-F120 WeakPolarHBondContact O-CD2 3.33Å; V116-F120 PolarHBondContact O-N 3.41Å; L118-F120 VanDerWaalsContact C-N 3.32Å; L118-F120 PolarHBondContact O-N 3.24Å; F120-G122 PolarHBondContact O-N 2.92Å; F120-F123 PolarHBondContact O-N 2.95Å; F120-R193 HydrophobicContact CD1-CB 3.83Å; F120-R193 HydrophobicContact CD1-CG 4.25Å; F120-R193 HydrophobicContact CE1-CB 3.86Å; F120-R193 HydrophobicContact CE1-CG 3.97Å |
| 121 | S | 66.2 | Low | 78.6 | Confident | 42 Ų | 42 | 65.1 Ų | 65.1 | 29% | 0.294 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | 12.9 | -177.1 | 69.3 | 0 | 0 | 0 | 0 | 117.1 | L118 E124 K168 | L118-S121 PolarHBondContact O-N 3.05Å; L118-S121 PolarHBondContact O-OG 2.98Å; S121-E124 WeakPolarHBondContact CA-OE1 3.27Å; S121-K168 PolarHBondContact O-NZ 3.28Å |
| 122 | G | 73.6 | Confident | 78.9 | Confident | 43 Ų | 43 | 66.2 Ų | 66.2 | 44% | 0.443 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | -9.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | F120 E124 | F120-G122 PolarHBondContact O-N 2.92Å; G122-E124 WeakPolarHBondContact CA-OE2 3.4Å; G122-E124 PolarHBondContact N-OE2 3.01Å |
| 123 | F | 80.4 | Confident | 79.5 | Confident | 45 Ų | 45 | 66.5 Ų | 66.5 | 20% | 0.197 | 36% | 0.359 | C | S | . | . | trans | -105.3 | 2.2 | -165.2 | -66.8 | -85.5 | 0 | 0 | 0 | 114.8 | A119 F120 G125 R126 V127 | A119-F123 WeakPolarHBondContact O-CD2 3.04Å; A119-F123 WeakPolarHBondContact O-CE2 3.31Å; F120-F123 PolarHBondContact O-N 2.95Å; F123-G125 PolarHBondContact O-N 2.82Å; F123-R126 CarbonylContact O-C 3.55Å; F123-R126 WeakPolarHBondContact O-CA 3.38Å; F123-R126 WeakPolarHBondContact O-CB 3.28Å; F123-R126 PolarHBondContact O-N 3.48Å; F123-V127 WeakPolarHBondContact O-CG2 3.45Å; F123-V127 PolarHBondContact O-N 2.77Å | ||
| 124 | E | 83.1 | Confident | 80.2 | Confident | 5 Ų | 5 | 66.8 Ų | 66.8 | 2% | 0.023 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -56.2 | -43.8 | -173.7 | -53.3 | 88.7 | 151.5 | 0 | 0 | 112.5 | S121 G122 R126 V127 A128 V149 K168 G172 V174 | S121-E124 WeakPolarHBondContact CA-OE1 3.27Å; G122-E124 WeakPolarHBondContact CA-OE2 3.4Å; G122-E124 PolarHBondContact N-OE2 3.01Å; E124-R126 VanDerWaalsContact C-N 3.32Å; E124-R126 PolarHBondContact O-N 3.41Å; E124-V127 PolarHBondContact O-N 3.49Å; E124-A128 WeakPolarHBondContact O-CB 3.29Å; E124-A128 PolarHBondContact O-N 3.06Å; E124-V149 HydrophobicContact CB-CG1 3.95Å; E124-K168 IonicContact OE1-NZ 2.57Å; E124-K168 WeakPolarHBondContact OE2-CE 3.11Å; E124-K168 IonicContact OE2-NZ 3.71Å; E124-K168 PolarHBondContact OE2-NZ 3.33Å; E124-G172 WeakPolarHBondContact OE1-CA 3.35Å; E124-G172 PolarHBondContact OE1-N 3.32Å; E124-V174 HydrophobicContact CB-CG2 4.06Å |
| 125 | G | 84.9 | Confident | 80.9 | Confident | 41 Ų | 41 | 62.5 Ų | 62.5 | 42% | 0.423 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.5 | -35.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | F123 T129 | F123-G125 PolarHBondContact O-N 2.82Å; G125-T129 PolarHBondContact O-N 3.39Å; G125-T129 PolarHBondContact O-OG1 2.82Å |
| 126 | R | 87.7 | Confident | 81.8 | Confident | 144 Ų | 144 | 63.9 Ų | 63.9 | 54% | 0.543 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -70.3 | -42 | 172.7 | -85.2 | -176.2 | -84.4 | -176.5 | -10 | 111.3 | F123 E124 A128 T129 S130 | F123-R126 CarbonylContact O-C 3.55Å; F123-R126 WeakPolarHBondContact O-CA 3.38Å; F123-R126 WeakPolarHBondContact O-CB 3.28Å; F123-R126 PolarHBondContact O-N 3.48Å; E124-R126 VanDerWaalsContact C-N 3.32Å; E124-R126 PolarHBondContact O-N 3.41Å; R126-A128 PolarHBondContact O-N 3.18Å; R126-T129 PolarHBondContact O-N 2.87Å; R126-S130 WeakPolarHBondContact O-CB 3.4Å; R126-S130 PolarHBondContact O-N 3.42Å; R126-S130 PolarHBondContact O-OG 3.03Å |
| 127 | V | 90.1 | Very high | 82.9 | Confident | 14 Ų | 14 | 67 Ų | 67 | 9% | 0.085 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.2 | -45.2 | 175.6 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | F123 E124 T129 S130 L131 V174 R193 V194 | F123-V127 WeakPolarHBondContact O-CG2 3.45Å; F123-V127 PolarHBondContact O-N 2.77Å; E124-V127 PolarHBondContact O-N 3.49Å; V127-T129 VanDerWaalsContact C-N 3.29Å; V127-T129 PolarHBondContact O-N 3.19Å; V127-S130 PolarHBondContact O-N 3Å; V127-L131 VanDerWaalsContact O-CB 3.25Å; V127-L131 WeakPolarHBondContact O-CB 3.44Å; V127-L131 PolarHBondContact O-N 2.97Å; V127-V174 HydrophobicContact CG1-CG2 4.35Å; V127-R193 HydrophobicContact CG2-CB 3.92Å; V127-V194 HydrophobicContact CG1-CG2 3.54Å |
| 128 | A | 90.4 | Very high | 84.2 | Confident | 2 Ų | 2 | 62.5 Ų | 62.5 | 2% | 0.017 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.7 | -38.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E124 R126 R132 V147 V149 V174 | E124-A128 WeakPolarHBondContact O-CB 3.29Å; E124-A128 PolarHBondContact O-N 3.06Å; R126-A128 PolarHBondContact O-N 3.18Å; A128-R132 WeakPolarHBondContact O-CG 3.47Å; A128-R132 PolarHBondContact O-N 2.64Å; A128-R132 PolarHBondContact O-NH1 3.49Å; A128-V147 HydrophobicContact CB-CG1 3.86Å; A128-V149 HydrophobicContact CB-CG2 3.72Å; A128-V174 HydrophobicContact CB-CG1 4.39Å |
| 129 | T | 92 | Very high | 85.6 | Confident | 66 Ų | 66 | 63.9 Ų | 63.9 | 41% | 0.405 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -69.2 | -49.4 | 176.6 | -52.4 | 0 | 0 | 0 | 0 | 111.3 | G125 R126 V127 L131 R132 E133 | G125-T129 PolarHBondContact O-N 3.39Å; G125-T129 PolarHBondContact O-OG1 2.82Å; R126-T129 PolarHBondContact O-N 2.87Å; V127-T129 VanDerWaalsContact C-N 3.29Å; V127-T129 PolarHBondContact O-N 3.19Å; T129-L131 VanDerWaalsContact C-N 3.32Å; T129-L131 PolarHBondContact O-N 3.37Å; T129-R132 PolarHBondContact O-N 3.21Å; T129-E133 WeakPolarHBondContact O-CG 3.43Å; T129-E133 PolarHBondContact O-N 3.23Å |
| 130 | S | 92.6 | Very high | 87 | Confident | 31 Ų | 31 | 62.8 Ų | 62.8 | 22% | 0.217 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.3 | -37 | 177.8 | -62.9 | 0 | 0 | 0 | 0 | 112.6 | R126 V127 E133 H134 | R126-S130 WeakPolarHBondContact O-CB 3.4Å; R126-S130 PolarHBondContact O-N 3.42Å; R126-S130 PolarHBondContact O-OG 3.03Å; V127-S130 PolarHBondContact O-N 3Å; S130-E133 PolarHBondContact O-N 2.92Å; S130-H134 PolarHBondContact O-CD2 3.17Å; S130-H134 VanDerWaalsContact O-CD2 3.23Å; S130-H134 PolarHBondContact O-N 2.85Å |
| 131 | L | 92.7 | Very high | 88.1 | Confident | 4 Ų | 4 | 65.1 Ų | 65.1 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.7 | -46.3 | 175.1 | -179.9 | 63 | 0 | 0 | 0 | 110.8 | V127 T129 E133 H134 I135 V147 V176 L187 V188 V191 | V127-L131 VanDerWaalsContact O-CB 3.25Å; V127-L131 WeakPolarHBondContact O-CB 3.44Å; V127-L131 PolarHBondContact O-N 2.97Å; T129-L131 VanDerWaalsContact C-N 3.32Å; T129-L131 PolarHBondContact O-N 3.37Å; L131-E133 VanDerWaalsContact C-N 3.33Å; L131-E133 PolarHBondContact O-N 2.73Å; L131-H134 PolarHBondContact O-N 3.3Å; L131-I135 HydrophobicContact CD1-CD1 4.23Å; L131-I135 HydrophobicContact CD1-CG1 4.45Å; L131-I135 HydrophobicContact CG-CD1 3.93Å; L131-I135 WeakPolarHBondContact O-CD1 3.41Å; L131-I135 WeakPolarHBondContact O-CG1 3.39Å; L131-I135 PolarHBondContact O-N 2.84Å; L131-V147 HydrophobicContact CD2-CG1 4.11Å; L131-V147 HydrophobicContact CD2-CG2 3.98Å; L131-V147 HydrophobicContact CG-CG2 4.49Å; L131-V176 HydrophobicContact CD2-CB 4.46Å; L131-V176 HydrophobicContact CD2-CG1 4.12Å; L131-V176 HydrophobicContact CD2-CG2 3.5Å; L131-L187 HydrophobicContact CD1-CD2 3.82Å; L131-V188 HydrophobicContact CD1-CG2 3.97Å; L131-V191 HydrophobicContact CB-CG2 4.39Å; L131-V191 HydrophobicContact CD1-CG2 3.69Å |
| 132 | R | 93.3 | Very high | 89.4 | Confident | 110 Ų | 110 | 70.8 Ų | 70.8 | 42% | 0.415 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.8 | -40.8 | 175.2 | -68.9 | -179.2 | -158.9 | 111.1 | -3.8 | 112.2 | A128 T129 I135 K136 V147 | A128-R132 WeakPolarHBondContact O-CG 3.47Å; A128-R132 PolarHBondContact O-N 2.64Å; A128-R132 PolarHBondContact O-NH1 3.49Å; T129-R132 PolarHBondContact O-N 3.21Å; R132-I135 PolarHBondContact O-N 3.36Å; R132-K136 WeakPolarHBondContact O-CG 3.17Å; R132-K136 PolarHBondContact O-N 2.93Å; R132-K136 VanDerWaalsContact O-N 3.16Å; R132-V147 HydrophobicContact CG-CB 4.39Å; R132-V147 HydrophobicContact CG-CG2 4.28Å; R132-V147 PolarHBondContact NH2-O 3.21Å |
| 133 | E | 93.4 | Very high | 90.2 | Very high | 105 Ų | 105 | 70.8 Ų | 70.8 | 49% | 0.491 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63 | -44.8 | 175.4 | -70.9 | 171.6 | 174.1 | 0 | 0 | 112 | T129 S130 L131 I135 K136 L137 | T129-E133 WeakPolarHBondContact O-CG 3.43Å; T129-E133 PolarHBondContact O-N 3.23Å; S130-E133 PolarHBondContact O-N 2.92Å; L131-E133 VanDerWaalsContact C-N 3.33Å; L131-E133 PolarHBondContact O-N 2.73Å; E133-I135 PolarHBondContact O-N 3.17Å; E133-K136 WeakPolarHBondContact O-CB 3.46Å; E133-K136 PolarHBondContact O-N 3.49Å; E133-L137 VanDerWaalsContact O-CG 3.31Å; E133-L137 WeakPolarHBondContact O-CG 3.35Å; E133-L137 PolarHBondContact O-N 3.26Å |
| 134 | H | 91.8 | Very high | 90.8 | Very high | 49 Ų | 49 | 69.6 Ų | 69.6 | 23% | 0.227 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.3 | -39 | 178.1 | -88.7 | -106.4 | 0 | 0 | 0 | 112.9 | S130 L131 K136 L137 H138 L187 V191 | S130-H134 PolarHBondContact O-CD2 3.17Å; S130-H134 VanDerWaalsContact O-CD2 3.23Å; S130-H134 PolarHBondContact O-N 2.85Å; L131-H134 PolarHBondContact O-N 3.3Å; H134-K136 VanDerWaalsContact C-N 3.32Å; H134-L137 PolarHBondContact O-N 3.21Å; H134-H138 PolarHBondContact O-N 3.41Å; H134-H138 VanDerWaalsContact O-N 3.14Å; H134-H138 PolarHBondContact O-ND1 2.82Å; H134-L187 HydrophobicContact CB-CD2 4.26Å; H134-L187 HydrophobicContact CB-CG 4.46Å; H134-V191 HydrophobicContact CB-CG2 4.16Å |
| 135 | I | 92.8 | Very high | 91.1 | Very high | 12 Ų | 12 | 71.5 Ų | 71.5 | 6% | 0.062 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.6 | -45.4 | 175.4 | -68.2 | 161.8 | 0 | 0 | 0 | 110.1 | L131 R132 E133 H138 N139 M140 E141 F144 V147 L187 | L131-I135 HydrophobicContact CD1-CD1 4.23Å; L131-I135 HydrophobicContact CD1-CG1 4.45Å; L131-I135 HydrophobicContact CG-CD1 3.93Å; L131-I135 WeakPolarHBondContact O-CD1 3.41Å; L131-I135 WeakPolarHBondContact O-CG1 3.39Å; L131-I135 PolarHBondContact O-N 2.84Å; R132-I135 PolarHBondContact O-N 3.36Å; E133-I135 PolarHBondContact O-N 3.17Å; I135-H138 PolarHBondContact O-N 2.81Å; I135-N139 PolarHBondContact O-N 3.3Å; I135-M140 PolarHBondContact O-N 2.91Å; I135-M140 VanDerWaalsContact O-N 3.17Å; I135-E141 HydrophobicContact CG2-CG 4.24Å; I135-F144 HydrophobicContact CB-CD2 4.44Å; I135-F144 HydrophobicContact CD1-CB 3.72Å; I135-F144 HydrophobicContact CD1-CD1 3.57Å; I135-F144 HydrophobicContact CD1-CD2 4.03Å; I135-F144 HydrophobicContact CD1-CE1 4.14Å; I135-F144 HydrophobicContact CD1-CG 3.5Å; I135-F144 VanDerWaalsContact CD1-CG 3.5Å; I135-F144 HydrophobicContact CG1-CB 4.26Å; I135-F144 HydrophobicContact CG1-CD1 4.05Å; I135-F144 HydrophobicContact CG1-CD2 3.71Å; I135-F144 HydrophobicContact CG1-CE1 4.3Å; I135-F144 HydrophobicContact CG1-CE2 3.99Å; I135-F144 HydrophobicContact CG1-CG 3.75Å; I135-F144 HydrophobicContact CG1-CZ 4.27Å; I135-F144 HydrophobicContact CG2-CB 4.04Å; I135-F144 HydrophobicContact CG2-CD2 3.92Å; I135-F144 HydrophobicContact CG2-CG 4.18Å; I135-V147 HydrophobicContact CD1-CG2 4.5Å; I135-L187 HydrophobicContact CG1-CD2 3.94Å |
| 136 | K | 93.1 | Very high | 91.2 | Very high | 130 Ų | 130 | 74.9 Ų | 74.9 | 57% | 0.565 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -62.2 | -46.3 | 175.9 | -71.6 | -178.4 | 174.3 | -171 | 0 | 112.2 | R132 E133 H134 H138 N139 E141 | R132-K136 WeakPolarHBondContact O-CG 3.17Å; R132-K136 PolarHBondContact O-N 2.93Å; R132-K136 VanDerWaalsContact O-N 3.16Å; E133-K136 WeakPolarHBondContact O-CB 3.46Å; E133-K136 PolarHBondContact O-N 3.49Å; H134-K136 VanDerWaalsContact C-N 3.32Å; K136-H138 VanDerWaalsContact C-N 3.28Å; K136-H138 PolarHBondContact O-N 2.96Å; K136-N139 PolarHBondContact O-N 3.13Å; K136-N139 VanDerWaalsContact O-N 3.16Å; K136-N139 PolarHBondContact O-OD1 3.12Å; K136-E141 WeakPolarHBondContact CG-OE1 3.49Å |
| 137 | L | 93.2 | Very high | 91.4 | Very high | 132 Ų | 132 | 68.4 Ų | 68.4 | 69% | 0.691 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62.9 | -32.4 | -178 | -73.7 | 170 | 0 | 0 | 0 | 113.5 | E133 H134 | E133-L137 VanDerWaalsContact O-CG 3.31Å; E133-L137 WeakPolarHBondContact O-CG 3.35Å; E133-L137 PolarHBondContact O-N 3.26Å; H134-L137 PolarHBondContact O-N 3.21Å |
| 138 | H | 91.3 | Very high | 91.2 | Very high | 105 Ų | 105 | 69.7 Ų | 69.7 | 49% | 0.486 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 4.3 | 179.2 | -67.3 | 78.7 | 0 | 0 | 0 | 113.3 | H134 I135 K136 M140 L187 | H134-H138 PolarHBondContact O-N 3.41Å; H134-H138 VanDerWaalsContact O-N 3.14Å; H134-H138 PolarHBondContact O-ND1 2.82Å; I135-H138 PolarHBondContact O-N 2.81Å; K136-H138 VanDerWaalsContact C-N 3.28Å; K136-H138 PolarHBondContact O-N 2.96Å; H138-M140 HydrophobicContact CB-CE 3.53Å; H138-M140 HydrophobicContact CB-CG 4.29Å; H138-M140 PolarHBondContact O-N 3.29Å; H138-L187 HydrophobicContact CB-CD1 3.9Å |
| 139 | N | 90.8 | Very high | 91.2 | Very high | 140 Ų | 140 | 71.4 Ų | 71.4 | 75% | 0.749 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 39.3 | -176.4 | -59 | -39.3 | 0 | 0 | 0 | 113.3 | I135 K136 | I135-N139 PolarHBondContact O-N 3.3Å; K136-N139 PolarHBondContact O-N 3.13Å; K136-N139 VanDerWaalsContact O-N 3.16Å; K136-N139 PolarHBondContact O-OD1 3.12Å |
| 140 | M | 88.2 | Confident | 90.8 | Very high | 31 Ų | 31 | 68.6 Ų | 68.6 | 15% | 0.153 | 35% | 0.348 | C | S | . | . | trans | -104.9 | 27.6 | -179.4 | -73 | -164.7 | -85.2 | 0 | 0 | 112.7 | I135 H138 D142 L143 F144 A183 L187 | I135-M140 PolarHBondContact O-N 2.91Å; I135-M140 VanDerWaalsContact O-N 3.17Å; H138-M140 HydrophobicContact CB-CE 3.53Å; H138-M140 HydrophobicContact CB-CG 4.29Å; H138-M140 PolarHBondContact O-N 3.29Å; M140-D142 PolarHBondContact O-N 3.07Å; M140-L143 HydrophobicContact CB-CD1 4.23Å; M140-L143 HydrophobicContact CG-CD1 4.15Å; M140-L143 PolarHBondContact O-N 2.91Å; M140-L143 HydrophobicContact SD-CD1 3.87Å; M140-F144 HydrophobicContact CB-CD2 4.37Å; M140-F144 HydrophobicContact CB-CE2 4.34Å; M140-F144 WeakPolarHBondContact O-CD2 3.38Å; M140-A183 HydrophobicContact SD-CB 4.08Å; M140-L187 HydrophobicContact CE-CB 3.95Å; M140-L187 HydrophobicContact CE-CD1 3.18Å; M140-L187 HydrophobicContact CE-CG 4.17Å | ||
| 141 | E | 89.2 | Confident | 90.2 | Very high | 116 Ų | 116 | 69.3 Ų | 69.3 | 54% | 0.542 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -57.5 | -33.3 | -178.1 | -63.5 | -171.7 | 170.8 | 0 | 0 | 112.5 | I135 K136 L143 F144 | I135-E141 HydrophobicContact CG2-CG 4.24Å; K136-E141 WeakPolarHBondContact CG-OE1 3.49Å; E141-L143 PolarHBondContact O-N 2.84Å; E141-F144 PolarHBondContact O-N 3.28Å |
| 142 | D | 92.5 | Very high | 89.4 | Confident | 161 Ų | 161 | 70.7 Ų | 70.7 | 86% | 0.861 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -65.4 | -21.5 | 178.7 | -58.4 | -34.3 | 0 | 0 | 0 | 113.8 | M140 | M140-D142 PolarHBondContact O-N 3.07Š|
| 143 | L | 91.8 | Very high | 88.4 | Confident | 44 Ų | 44 | 71 Ų | 71 | 23% | 0.23 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -93.8 | -12.9 | -177.9 | -64.1 | 172.6 | 0 | 0 | 0 | 113 | M140 E141 M178 V179 N181 | M140-L143 HydrophobicContact CB-CD1 4.23Å; M140-L143 HydrophobicContact CG-CD1 4.15Å; M140-L143 PolarHBondContact O-N 2.91Å; M140-L143 HydrophobicContact SD-CD1 3.87Å; E141-L143 PolarHBondContact O-N 2.84Å; L143-M178 CarbonylContact O-C 3.5Å; L143-M178 VanDerWaalsContact O-CA 3.24Å; L143-M178 WeakPolarHBondContact O-CA 3.37Å; L143-V179 HydrophobicContact CD2-CB 4.06Å; L143-V179 HydrophobicContact CD2-CG1 4.37Å; L143-V179 PolarHBondContact O-N 2.9Å; L143-N181 VanDerWaalsContact CD1-ND2 3.28Å; L143-N181 WeakPolarHBondContact CD1-ND2 3.41Å; L143-N181 WeakPolarHBondContact CD2-ND2 3.41Å |
| 144 | F | 92.3 | Very high | 87.4 | Confident | 20 Ų | 20 | 67.7 Ų | 67.7 | 9% | 0.088 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 126.5 | -174.8 | -72.3 | -90.6 | 0 | 0 | 0 | 110.7 | I135 M140 E141 V176 M178 L187 V188 | I135-F144 HydrophobicContact CB-CD2 4.44Å; I135-F144 HydrophobicContact CD1-CB 3.72Å; I135-F144 HydrophobicContact CD1-CD1 3.57Å; I135-F144 HydrophobicContact CD1-CD2 4.03Å; I135-F144 HydrophobicContact CD1-CE1 4.14Å; I135-F144 HydrophobicContact CD1-CG 3.5Å; I135-F144 VanDerWaalsContact CD1-CG 3.5Å; I135-F144 HydrophobicContact CG1-CB 4.26Å; I135-F144 HydrophobicContact CG1-CD1 4.05Å; I135-F144 HydrophobicContact CG1-CD2 3.71Å; I135-F144 HydrophobicContact CG1-CE1 4.3Å; I135-F144 HydrophobicContact CG1-CE2 3.99Å; I135-F144 HydrophobicContact CG1-CG 3.75Å; I135-F144 HydrophobicContact CG1-CZ 4.27Å; I135-F144 HydrophobicContact CG2-CB 4.04Å; I135-F144 HydrophobicContact CG2-CD2 3.92Å; I135-F144 HydrophobicContact CG2-CG 4.18Å; M140-F144 HydrophobicContact CB-CD2 4.37Å; M140-F144 HydrophobicContact CB-CE2 4.34Å; M140-F144 WeakPolarHBondContact O-CD2 3.38Å; E141-F144 PolarHBondContact O-N 3.28Å; F144-V176 HydrophobicContact CD1-CG1 4.02Å; F144-V176 HydrophobicContact CE1-CG1 4.41Å; F144-M178 HydrophobicContact CD1-CB 3.61Å; F144-M178 HydrophobicContact CD1-CE 4.38Å; F144-M178 HydrophobicContact CE1-CB 3.8Å; F144-M178 HydrophobicContact CE1-CE 3.83Å; F144-M178 HydrophobicContact CE1-CG 4.45Å; F144-M178 HydrophobicContact CE1-SD 3.88Å; F144-M178 HydrophobicContact CG-CB 4.3Å; F144-M178 HydrophobicContact CZ-SD 4.48Å; F144-L187 HydrophobicContact CE2-CD2 4.23Å; F144-L187 HydrophobicContact CZ-CD2 3.84Å; F144-V188 HydrophobicContact CE1-CG2 3.62Å; F144-V188 HydrophobicContact CZ-CG2 3.89Å |
| 145 | G | 88.4 | Confident | 86.3 | Confident | 44 Ų | 44 | 69.4 Ų | 69.4 | 45% | 0.454 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | -130.7 | 172 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q177 | G145-Q177 PolarHBondContact N-O 3.27Å |
| 146 | E | 88.8 | Confident | 85 | Confident | 112 Ų | 112 | 73.1 Ų | 73.1 | 52% | 0.523 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 136.7 | -176.5 | -156.7 | 178.2 | 177.2 | 0 | 0 | 113.5 | M148 Q177 | E146-M148 VanDerWaalsContact CD-SD 3.6Å; E146-M148 HydrophobicContact CG-CG 3.72Å; E146-M148 HydrophobicContact CG-SD 4.38Å; E146-M148 WeakPolarHBondContact OE1-CG 3.44Å; E146-Q177 PolarHBondContact O-N 3.13Å |
| 147 | V | 91.2 | Very high | 84 | Confident | 9 Ų | 9 | 72.9 Ų | 72.9 | 6% | 0.055 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 112.7 | 170.9 | 177.5 | 0 | 0 | 0 | 0 | 108 | A128 L131 R132 I135 V174 L175 V176 | A128-V147 HydrophobicContact CB-CG1 3.86Å; L131-V147 HydrophobicContact CD2-CG1 4.11Å; L131-V147 HydrophobicContact CD2-CG2 3.98Å; L131-V147 HydrophobicContact CG-CG2 4.49Å; R132-V147 HydrophobicContact CG-CB 4.39Å; R132-V147 HydrophobicContact CG-CG2 4.28Å; R132-V147 PolarHBondContact NH2-O 3.21Å; I135-V147 HydrophobicContact CD1-CG2 4.5Å; V147-V174 HydrophobicContact CG1-CG1 3.88Å; V147-L175 WeakPolarHBondContact CA-O 3.44Å; V147-V176 HydrophobicContact CG1-CG2 4.29Å; V147-V176 HydrophobicContact CG2-CG1 3.98Å; V147-V176 HydrophobicContact CG2-CG2 4.4Å |
| 148 | M | 86.2 | Confident | 82.5 | Confident | 41 Ų | 41 | 75.9 Ų | 75.9 | 20% | 0.202 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 144.9 | -175.3 | -65.6 | -169.7 | -86.1 | 0 | 0 | 112.5 | E146 V174 L175 V213 M217 | E146-M148 VanDerWaalsContact CD-SD 3.6Å; E146-M148 HydrophobicContact CG-CG 3.72Å; E146-M148 HydrophobicContact CG-SD 4.38Å; E146-M148 WeakPolarHBondContact OE1-CG 3.44Å; M148-V174 WeakPolarHBondContact O-CG1 3.31Å; M148-L175 HydrophobicContact CB-CB 4.41Å; M148-L175 PolarHBondContact N-O 3.23Å; M148-L175 PolarHBondContact O-N 3.47Å; M148-V213 HydrophobicContact CE-CG1 4.19Å; M148-M217 HydrophobicContact SD-CE 4.32Å; M148-M217 HydrophobicContact SD-SD 4.49Å |
| 149 | V | 89 | Confident | 81.2 | Confident | 38 Ų | 38 | 75 Ų | 75 | 23% | 0.23 | 41% | 0.405 | C | S | . | . | trans | -112.3 | 120.8 | 171.2 | -175.5 | 0 | 0 | 0 | 0 | 107.9 | E124 A128 T151 V174 | E124-V149 HydrophobicContact CB-CG1 3.95Å; A128-V149 HydrophobicContact CB-CG2 3.72Å; V149-T151 HydrophobicContact CG1-CG2 4.01Å; V149-T151 PolarHBondContact O-N 3.01Å; V149-V174 HydrophobicContact CG2-CG1 4.45Å; V149-V174 HydrophobicContact CG2-CG2 4.41Å | ||
| 150 | P | 85.1 | Confident | 80.3 | Confident | 6 Ų | 6 | 71.6 Ų | 71.6 | 4% | 0.039 | 40% | 0.404 | C | S | . | . | trans | -73.7 | 91.9 | -176.6 | 28.9 | -34.1 | 0 | 0 | 0 | 111.5 | F169 F170 L220 | P150-F169 PolarHBondContact O-N 3.16Å; P150-F170 HydrophobicContact CB-CD2 4.34Å; P150-F170 HydrophobicContact CG-CB 4.07Å; P150-F170 HydrophobicContact CG-CD2 4.18Å; P150-L220 HydrophobicContact CB-CD1 4.12Å | ||
| 151 | T | 80.1 | Confident | 79.5 | Confident | 47 Ų | 47 | 77.6 Ų | 77.6 | 29% | 0.288 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 149.4 | 176.7 | 56.3 | 0 | 0 | 0 | 0 | 112.1 | V149 R167 K168 | V149-T151 HydrophobicContact CG1-CG2 4.01Å; V149-T151 PolarHBondContact O-N 3.01Å; T151-R167 CarbonylContact C-O 3.53Å; T151-R167 WeakPolarHBondContact CA-O 3.03Å; T151-K168 HydrophobicContact CG2-CG 3.97Å |
| 152 | E | 75.8 | Confident | 78.7 | Confident | 33 Ų | 33 | 82.1 Ų | 82.1 | 15% | 0.154 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 127 | 176.7 | 179.8 | -173.1 | -177.4 | 0 | 0 | 108.2 | V154 E166 R167 V223 | E152-V154 HydrophobicContact CG-CG1 4.11Å; E152-V154 PolarHBondContact O-N 2.88Å; E152-E166 CarbonylContact O-C 3.52Å; E152-E166 WeakPolarHBondContact O-CA 3.5Å; E152-R167 WeakPolarHBondContact CB-O 3.44Å; E152-R167 PolarHBondContact N-O 3.5Å; E152-R167 PolarHBondContact O-N 2.81Å; E152-V223 WeakPolarHBondContact OE1-CG1 3.49Å |
| 153 | E | 71.2 | Confident | 77.8 | Confident | 117 Ų | 117 | 82.9 Ų | 82.9 | 55% | 0.547 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 115.3 | 171.4 | -73.4 | -169.6 | -162.1 | 0 | 0 | 109.9 | K164 | E153-K164 IonicContact OE2-NZ 2.7Å; E153-K164 PolarHBondContact OE2-NZ 3.24Å |
| 154 | V | 71.8 | Confident | 77 | Confident | 34 Ų | 34 | 87.8 Ų | 87.8 | 21% | 0.206 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 134.6 | 173.2 | -64.1 | 0 | 0 | 0 | 0 | 110.3 | E152 E156 S165 R167 | E152-V154 HydrophobicContact CG-CG1 4.11Å; E152-V154 PolarHBondContact O-N 2.88Å; V154-E156 HydrophobicContact CG2-CG 4.41Å; V154-E156 PolarHBondContact O-N 3.3Å; V154-S165 WeakPolarHBondContact CG2-O 3.42Å; V154-S165 PolarHBondContact N-O 2.98Å; V154-S165 PolarHBondContact O-N 3.26Å; V154-R167 HydrophobicContact CG1-CB 4.14Å; V154-R167 HydrophobicContact CG2-CB 4.03Å |
| 155 | V | 70.4 | Confident | 75.9 | Confident | 85 Ų | 85 | 88.8 Ų | 88.8 | 52% | 0.515 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 105.9 | 173.7 | -176 | 0 | 0 | 0 | 0 | 108.7 | R162 K164 | V155-R162 HydrophobicContact CG1-CB 3.77Å; V155-R162 HydrophobicContact CG1-CG 3.93Å; V155-K164 HydrophobicContact CG2-CG 4.44Å |
| 156 | E | 65.3 | Low | 75.3 | Confident | 90 Ų | 90 | 92.9 Ų | 92.9 | 42% | 0.421 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 123 | 172.2 | -68.5 | -172.9 | 173.2 | 0 | 0 | 109.8 | V154 R158 R163 | V154-E156 HydrophobicContact CG2-CG 4.41Å; V154-E156 PolarHBondContact O-N 3.3Å; E156-R158 PolarHBondContact O-N 3.3Å; E156-R163 PolarHBondContact N-O 3.43Å; E156-R163 PolarHBondContact O-N 3.28Å |
| 157 | I | 71.2 | Confident | 74.7 | Confident | 125 Ų | 125 | 95.5 Ų | 95.5 | 64% | 0.641 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 107.6 | 168.8 | -59.6 | 168.5 | 0 | 0 | 0 | 107.1 | R162 | I157-R162 HydrophobicContact CG1-CG 3.94Å |
| 158 | R | 61.3 | Low | 73.9 | Confident | 196 Ų | 196 | 98.3 Ų | 98.3 | 74% | 0.74 | 49% | 0.487 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 112.9 | 177.1 | -147.5 | 176.7 | -175.3 | 172.4 | 0 | 108.4 | E156 Q161 | E156-R158 PolarHBondContact O-N 3.3Å; R158-Q161 PolarHBondContact N-O 3.16Å; R158-Q161 VanDerWaalsContact N-O 3.15Å |
| 159 | G | 65.6 | Low | 73.3 | Confident | 85 Ų | 85 | 100 Ų | 100 | 88% | 0.876 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.7 | 32.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q161 | G159-Q161 PolarHBondContact O-N 2.68Š|
| 160 | G | 70.3 | Confident | 72.8 | Confident | 70 Ų | 70 | 102.3 Ų | 102.3 | 72% | 0.722 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.9 | -12.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 161 | Q | 72.6 | Confident | 72.6 | Confident | 157 Ų | 157 | 105.5 Ų | 105.5 | 73% | 0.734 | 52% | 0.522 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 131.8 | 171.2 | -70.8 | -173.3 | -17.1 | 0 | 0 | 111 | R158 G159 R163 | R158-Q161 PolarHBondContact N-O 3.16Å; R158-Q161 VanDerWaalsContact N-O 3.15Å; G159-Q161 PolarHBondContact O-N 2.68Å; Q161-R163 PolarHBondContact O-N 3.49Å |
| 162 | R | 72.9 | Confident | 72.7 | Confident | 210 Ų | 210 | 105.4 Ų | 105.4 | 79% | 0.792 | 53% | 0.53 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 107.7 | 170.1 | -75.6 | -175.6 | -78.5 | -176.2 | -3.4 | 108.4 | V155 I157 | V155-R162 HydrophobicContact CG1-CB 3.77Å; V155-R162 HydrophobicContact CG1-CG 3.93Å; I157-R162 HydrophobicContact CG1-CG 3.94Å |
| 163 | R | 73.3 | Confident | 73.3 | Confident | 178 Ų | 178 | 109.3 Ų | 109.3 | 67% | 0.672 | 54% | 0.544 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 119.9 | 173.2 | -169.7 | 174.4 | -178.3 | 172.1 | 0.8 | 108.8 | E156 Q161 S165 | E156-R163 PolarHBondContact N-O 3.43Å; E156-R163 PolarHBondContact O-N 3.28Å; Q161-R163 PolarHBondContact O-N 3.49Å; R163-S165 PolarHBondContact O-N 3.3Å |
| 164 | K | 73.8 | Confident | 74.1 | Confident | 147 Ų | 147 | 105.7 Ų | 105.7 | 64% | 0.639 | 53% | 0.53 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 120.6 | 165.5 | -65.3 | -172.4 | 169.3 | -154.1 | 0 | 107.9 | E153 V155 | E153-K164 IonicContact OE2-NZ 2.7Å; E153-K164 PolarHBondContact OE2-NZ 3.24Å; V155-K164 HydrophobicContact CG2-CG 4.44Å |
| 165 | S | 70.8 | Confident | 75 | Confident | 40 Ų | 40 | 105.8 Ų | 105.8 | 28% | 0.28 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 140.6 | 176.8 | -176 | 0 | 0 | 0 | 0 | 107 | V154 R163 | V154-S165 WeakPolarHBondContact CG2-O 3.42Å; V154-S165 PolarHBondContact N-O 2.98Å; V154-S165 PolarHBondContact O-N 3.26Å; R163-S165 PolarHBondContact O-N 3.3Å |
| 166 | E | 74.6 | Confident | 76 | Confident | 131 Ų | 131 | 103.8 Ų | 103.8 | 61% | 0.612 | 52% | 0.517 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 123 | 178 | -70 | 174 | -158.1 | 0 | 0 | 109.4 | E152 | E152-E166 CarbonylContact O-C 3.52Å; E152-E166 WeakPolarHBondContact O-CA 3.5Å |
| 167 | R | 75.5 | Confident | 77.2 | Confident | 166 Ų | 166 | 104.9 Ų | 104.9 | 63% | 0.626 | 52% | 0.522 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 128.1 | 173.7 | -173.2 | 179.1 | -176.5 | -172.5 | 0.1 | 109.6 | T151 E152 V154 F169 | T151-R167 CarbonylContact C-O 3.53Å; T151-R167 WeakPolarHBondContact CA-O 3.03Å; E152-R167 WeakPolarHBondContact CB-O 3.44Å; E152-R167 PolarHBondContact N-O 3.5Å; E152-R167 PolarHBondContact O-N 2.81Å; V154-R167 HydrophobicContact CG1-CB 4.14Å; V154-R167 HydrophobicContact CG2-CB 4.03Å; R167-F169 PolarHBondContact O-N 3.36Å |
| 168 | K | 74.6 | Confident | 78.2 | Confident | 68 Ų | 68 | 100.8 Ų | 100.8 | 30% | 0.296 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 123.5 | 178.3 | -58.1 | 170 | -170 | 169.9 | 0 | 109.9 | S121 E124 T151 | S121-K168 PolarHBondContact O-NZ 3.28Å; E124-K168 IonicContact OE1-NZ 2.57Å; E124-K168 WeakPolarHBondContact OE2-CE 3.11Å; E124-K168 IonicContact OE2-NZ 3.71Å; E124-K168 PolarHBondContact OE2-NZ 3.33Å; T151-K168 HydrophobicContact CG2-CG 3.97Å |
| 169 | F | 74.2 | Confident | 79.7 | Confident | 77 Ų | 77 | 95.5 Ų | 95.5 | 34% | 0.338 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -75.8 | -33.9 | 178.4 | -172 | -101.8 | 0 | 0 | 0 | 111.4 | P150 R167 R219 L220 | P150-F169 PolarHBondContact O-N 3.16Å; R167-F169 PolarHBondContact O-N 3.36Å; F169-R219 HydrophobicContact CZ-CG 4.46Å; F169-L220 HydrophobicContact CB-CD2 3.41Å; F169-L220 VanDerWaalsContact CB-CD2 3.41Å; F169-L220 HydrophobicContact CD1-CD2 4.07Å; F169-L220 HydrophobicContact CD2-CD2 3.96Å; F169-L220 HydrophobicContact CG-CD2 3.57Å |
| 170 | F | 78.4 | Confident | 80.8 | Confident | 86 Ų | 86 | 96 Ų | 96 | 38% | 0.377 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -124.5 | 85.3 | 171.3 | -64.1 | -61.8 | 0 | 0 | 0 | 110.5 | P150 G172 Y173 I216 | P150-F170 HydrophobicContact CB-CD2 4.34Å; P150-F170 HydrophobicContact CG-CB 4.07Å; P150-F170 HydrophobicContact CG-CD2 4.18Å; F170-G172 PolarHBondContact O-N 2.94Å; F170-Y173 HydrophobicContact CB-CD2 3.88Å; F170-Y173 HydrophobicContact CB-CG 4.16Å; F170-Y173 PolarHBondContact O-N 3.34Å; F170-I216 HydrophobicContact CE2-CG2 4.05Å |
| 171 | P | 80.4 | Confident | 81.7 | Confident | 74 Ų | 74 | 95.3 Ų | 95.3 | 48% | 0.481 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 128.2 | 176.6 | 26.4 | -33 | 0 | 0 | 0 | 110 | Y173 | P171-Y173 WeakPolarHBondContact O-CD2 3.45Š|
| 172 | G | 83.2 | Confident | 82.5 | Confident | 44 Ų | 44 | 94.2 Ų | 94.2 | 45% | 0.454 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.5 | -0.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | E124 F170 | E124-G172 WeakPolarHBondContact OE1-CA 3.35Å; E124-G172 PolarHBondContact OE1-N 3.32Å; F170-G172 PolarHBondContact O-N 2.94Å |
| 173 | Y | 87.4 | Confident | 83.4 | Confident | 116 Ų | 116 | 86.7 Ų | 86.7 | 46% | 0.455 | 43% | 0.432 | S | S | . | . | trans | -115.1 | 140.3 | -174.9 | -64.8 | -101 | 0 | 0 | 0 | 111.9 | F170 P171 I198 | F170-Y173 HydrophobicContact CB-CD2 3.88Å; F170-Y173 HydrophobicContact CB-CG 4.16Å; F170-Y173 PolarHBondContact O-N 3.34Å; P171-Y173 WeakPolarHBondContact O-CD2 3.45Å; Y173-I198 HydrophobicContact CD1-CD1 3.31Å; Y173-I198 HydrophobicContact CE1-CD1 3.19Å; Y173-I198 HydrophobicContact CE1-CG1 4.01Å | ||
| 174 | V | 89.1 | Confident | 84.2 | Confident | 41 Ų | 41 | 78.2 Ų | 78.2 | 25% | 0.248 | 40% | 0.4 | C | S | . | . | trans | -129.8 | 129.1 | 173 | -177.4 | 0 | 0 | 0 | 0 | 107.4 | E124 V127 A128 V147 M148 V149 V176 | E124-V174 HydrophobicContact CB-CG2 4.06Å; V127-V174 HydrophobicContact CG1-CG2 4.35Å; A128-V174 HydrophobicContact CB-CG1 4.39Å; V147-V174 HydrophobicContact CG1-CG1 3.88Å; M148-V174 WeakPolarHBondContact O-CG1 3.31Å; V149-V174 HydrophobicContact CG2-CG1 4.45Å; V149-V174 HydrophobicContact CG2-CG2 4.41Å; V174-V176 HydrophobicContact CG1-CG2 4.07Å | ||
| 175 | L | 89.9 | Confident | 85 | Confident | 35 Ų | 35 | 72.5 Ų | 72.5 | 18% | 0.183 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 129.8 | 176.1 | -65.1 | 169.3 | 0 | 0 | 0 | 108.3 | V147 M148 I208 | V147-L175 WeakPolarHBondContact CA-O 3.44Å; M148-L175 HydrophobicContact CB-CB 4.41Å; M148-L175 PolarHBondContact N-O 3.23Å; M148-L175 PolarHBondContact O-N 3.47Å; L175-I208 HydrophobicContact CD2-CD1 4.35Å |
| 176 | V | 91.4 | Very high | 86 | Confident | 44 Ų | 44 | 76.1 Ų | 76.1 | 27% | 0.267 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 121.6 | -179.2 | -174.1 | 0 | 0 | 0 | 0 | 109.2 | L131 F144 V147 V174 M178 | L131-V176 HydrophobicContact CD2-CB 4.46Å; L131-V176 HydrophobicContact CD2-CG1 4.12Å; L131-V176 HydrophobicContact CD2-CG2 3.5Å; F144-V176 HydrophobicContact CD1-CG1 4.02Å; F144-V176 HydrophobicContact CE1-CG1 4.41Å; V147-V176 HydrophobicContact CG1-CG2 4.29Å; V147-V176 HydrophobicContact CG2-CG1 3.98Å; V147-V176 HydrophobicContact CG2-CG2 4.4Å; V174-V176 HydrophobicContact CG1-CG2 4.07Å; V176-M178 HydrophobicContact CB-CE 3.64Å; V176-M178 HydrophobicContact CG1-CB 4.46Å; V176-M178 HydrophobicContact CG1-CE 3.36Å; V176-M178 HydrophobicContact CG2-CE 4.5Å |
| 177 | Q | 91.9 | Very high | 86.8 | Confident | 113 Ų | 113 | 70.1 Ų | 70.1 | 53% | 0.528 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 121.8 | 168.3 | -168.3 | -179.8 | 21.3 | 0 | 0 | 108.5 | G145 E146 | G145-Q177 PolarHBondContact N-O 3.27Å; E146-Q177 PolarHBondContact O-N 3.13Å |
| 178 | M | 91.7 | Very high | 87.6 | Confident | 39 Ų | 39 | 62.6 Ų | 62.6 | 19% | 0.192 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 157.3 | 178 | 73.2 | -176.9 | 75 | 0 | 0 | 111.5 | L143 F144 V176 V188 F197 | L143-M178 CarbonylContact O-C 3.5Å; L143-M178 VanDerWaalsContact O-CA 3.24Å; L143-M178 WeakPolarHBondContact O-CA 3.37Å; F144-M178 HydrophobicContact CD1-CB 3.61Å; F144-M178 HydrophobicContact CD1-CE 4.38Å; F144-M178 HydrophobicContact CE1-CB 3.8Å; F144-M178 HydrophobicContact CE1-CE 3.83Å; F144-M178 HydrophobicContact CE1-CG 4.45Å; F144-M178 HydrophobicContact CE1-SD 3.88Å; F144-M178 HydrophobicContact CG-CB 4.3Å; F144-M178 HydrophobicContact CZ-SD 4.48Å; V176-M178 HydrophobicContact CB-CE 3.64Å; V176-M178 HydrophobicContact CG1-CB 4.46Å; V176-M178 HydrophobicContact CG1-CE 3.36Å; V176-M178 HydrophobicContact CG2-CE 4.5Å; M178-V188 HydrophobicContact CE-CG2 3.58Å; M178-V188 HydrophobicContact SD-CG2 3.95Å; M178-F197 HydrophobicContact CE-CE1 3.75Å; M178-F197 HydrophobicContact CE-CZ 4.21Å; M178-F197 HydrophobicContact SD-CE1 4.03Å; M178-F197 HydrophobicContact SD-CZ 4.1Å |
| 179 | V | 91.5 | Very high | 88.3 | Confident | 84 Ų | 84 | 65.4 Ų | 65.4 | 51% | 0.509 | 34% | 0.34 | S | S | . | . | trans | -81.1 | 123.4 | 165 | -179.3 | 0 | 0 | 0 | 0 | 108.4 | L143 N181 S184 | L143-V179 HydrophobicContact CD2-CB 4.06Å; L143-V179 HydrophobicContact CD2-CG1 4.37Å; L143-V179 PolarHBondContact O-N 2.9Å; V179-N181 PolarHBondContact O-N 3.36Å; V179-S184 PolarHBondContact O-OG 2.82Å | ||
| 180 | M | 88.7 | Confident | 89.1 | Confident | 97 Ų | 97 | 64.9 Ų | 64.9 | 48% | 0.478 | 35% | 0.346 | S | S | . | . | trans | -75.9 | 105.8 | -179.7 | -168.2 | 64.9 | 56.4 | 0 | 0 | 110.4 | W185 P205 | M180-W185 HydrophobicContact SD-CB 4.32Å; M180-P205 HydrophobicContact CE-CG 3.29Å; M180-P205 HydrophobicContact SD-CG 3.88Å | ||
| 181 | N | 89.4 | Confident | 89.7 | Confident | 54 Ų | 54 | 60.9 Ų | 60.9 | 29% | 0.289 | 33% | 0.329 | S | S | . | . | trans | -138.3 | 167.1 | 169.2 | 66.1 | 26 | 0 | 0 | 0 | 109.2 | L143 V179 A183 S184 W185 | L143-N181 VanDerWaalsContact CD1-ND2 3.28Å; L143-N181 WeakPolarHBondContact CD1-ND2 3.41Å; L143-N181 WeakPolarHBondContact CD2-ND2 3.41Å; V179-N181 PolarHBondContact O-N 3.36Å; N181-A183 PolarHBondContact O-N 2.75Å; N181-A183 PolarHBondContact OD1-N 3.35Å; N181-S184 PolarHBondContact N-OG 3.27Å; N181-S184 VanDerWaalsContact N-OG 3.11Å; N181-S184 PolarHBondContact O-N 2.93Å; N181-S184 PolarHBondContact O-OG 3.14Å; N181-S184 VanDerWaalsContact O-OG 3.13Å; N181-S184 WeakPolarHBondContact OD1-CA 3.49Å; N181-S184 WeakPolarHBondContact OD1-CB 3.34Å; N181-S184 PolarHBondContact OD1-N 3.2Å; N181-S184 PolarHBondContact OD1-OG 3.2Å; N181-W185 VanDerWaalsContact O-CB 3.3Å; N181-W185 WeakPolarHBondContact O-CB 3.42Å; N181-W185 PolarHBondContact O-N 2.84Å | ||
| 182 | D | 90.2 | Very high | 90.1 | Very high | 135 Ų | 135 | 60.6 Ų | 60.6 | 72% | 0.722 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -59.3 | -37.5 | -176 | -64.4 | -22.1 | 0 | 0 | 0 | 111.5 | H186 | D182-H186 WeakPolarHBondContact O-CB 3.47Å; D182-H186 PolarHBondContact O-CD2 3.36Å; D182-H186 PolarHBondContact O-N 3.39Å |
| 183 | A | 91.4 | Very high | 90.2 | Very high | 51 Ų | 51 | 63.9 Ų | 63.9 | 42% | 0.421 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -67.6 | -45.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | M140 N181 H186 L187 | M140-A183 HydrophobicContact SD-CB 4.08Å; N181-A183 PolarHBondContact O-N 2.75Å; N181-A183 PolarHBondContact OD1-N 3.35Å; A183-H186 PolarHBondContact O-N 3.41Å; A183-L187 WeakPolarHBondContact O-CB 3.3Å; A183-L187 PolarHBondContact O-N 3.39Å |
| 184 | S | 91.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.8 | -39.3 | 179.3 | 67.8 | 0 | 0 | 0 | 0 | 110.6 | V179 N181 L187 V188 | V179-S184 PolarHBondContact O-OG 2.82Å; N181-S184 PolarHBondContact N-OG 3.27Å; N181-S184 VanDerWaalsContact N-OG 3.11Å; N181-S184 PolarHBondContact O-N 2.93Å; N181-S184 PolarHBondContact O-OG 3.14Å; N181-S184 VanDerWaalsContact O-OG 3.13Å; N181-S184 WeakPolarHBondContact OD1-CA 3.49Å; N181-S184 WeakPolarHBondContact OD1-CB 3.34Å; N181-S184 PolarHBondContact OD1-N 3.2Å; N181-S184 PolarHBondContact OD1-OG 3.2Å; S184-L187 PolarHBondContact O-N 3.4Å; S184-V188 VanDerWaalsContact O-CG2 3.31Å; S184-V188 WeakPolarHBondContact O-CG2 3.5Å; S184-V188 PolarHBondContact O-N 2.61Å |
| 185 | W | 90.3 | Very high | 89.9 | Confident | 28 Ų | 28 | 64.8 Ų | 64.8 | 11% | 0.106 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.5 | -46.7 | 173.8 | -177.6 | 95.8 | 0 | 0 | 0 | 111.8 | M180 N181 L187 V188 R189 F197 S202 | M180-W185 HydrophobicContact SD-CB 4.32Å; N181-W185 VanDerWaalsContact O-CB 3.3Å; N181-W185 WeakPolarHBondContact O-CB 3.42Å; N181-W185 PolarHBondContact O-N 2.84Å; W185-L187 VanDerWaalsContact C-N 3.35Å; W185-L187 PolarHBondContact O-N 3.35Å; W185-V188 PolarHBondContact O-N 3.1Å; W185-R189 HydrophobicContact CD2-CG 4.49Å; W185-R189 VanDerWaalsContact CZ2-CD 3.42Å; W185-R189 WeakPolarHBondContact O-CG 3.43Å; W185-R189 PolarHBondContact O-N 3.28Å; W185-R189 VanDerWaalsContact O-N 3.15Å; W185-F197 AromaticContact CD1-CD2 3.68Å; W185-F197 AromaticContact CD1-CE2 3.29Å; W185-F197 AromaticContact CG-CE2 3.91Å; W185-F197 HydrophobicContact CG-CE2 3.91Å; W185-F197 AromaticContact NE1-CD2 3.64Å; W185-F197 AromaticContact NE1-CE2 3.67Å; W185-S202 WeakPolarHBondContact CZ2-O 3.41Å; W185-S202 PolarHBondContact NE1-O 2.97Å |
| 186 | H | 90.3 | Very high | 89.7 | Confident | 115 Ų | 115 | 64.6 Ų | 64.6 | 53% | 0.532 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.3 | -38.7 | 175.7 | -83 | -65.9 | 0 | 0 | 0 | 112.1 | D182 A183 R189 S190 | D182-H186 WeakPolarHBondContact O-CB 3.47Å; D182-H186 PolarHBondContact O-CD2 3.36Å; D182-H186 PolarHBondContact O-N 3.39Å; A183-H186 PolarHBondContact O-N 3.41Å; H186-R189 PolarHBondContact O-N 3.44Å; H186-S190 WeakPolarHBondContact O-CB 3.34Å; H186-S190 PolarHBondContact O-N 2.9Å |
| 187 | L | 92.2 | Very high | 89.6 | Confident | 6 Ų | 6 | 65.6 Ų | 65.6 | 3% | 0.031 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.4 | -49.8 | 176.8 | -178.5 | 147.4 | 0 | 0 | 0 | 111.2 | L131 H134 I135 H138 M140 F144 A183 S184 W185 R189 S190 V191 | L131-L187 HydrophobicContact CD1-CD2 3.82Å; H134-L187 HydrophobicContact CB-CD2 4.26Å; H134-L187 HydrophobicContact CB-CG 4.46Å; I135-L187 HydrophobicContact CG1-CD2 3.94Å; H138-L187 HydrophobicContact CB-CD1 3.9Å; M140-L187 HydrophobicContact CE-CB 3.95Å; M140-L187 HydrophobicContact CE-CD1 3.18Å; M140-L187 HydrophobicContact CE-CG 4.17Å; F144-L187 HydrophobicContact CE2-CD2 4.23Å; F144-L187 HydrophobicContact CZ-CD2 3.84Å; A183-L187 WeakPolarHBondContact O-CB 3.3Å; A183-L187 PolarHBondContact O-N 3.39Å; S184-L187 PolarHBondContact O-N 3.4Å; W185-L187 VanDerWaalsContact C-N 3.35Å; W185-L187 PolarHBondContact O-N 3.35Å; L187-R189 VanDerWaalsContact C-N 3.31Å; L187-R189 PolarHBondContact O-N 3.33Å; L187-S190 WeakPolarHBondContact O-CB 3.46Å; L187-S190 PolarHBondContact O-N 3.35Å; L187-S190 PolarHBondContact O-OG 2.99Å; L187-V191 PolarHBondContact O-N 3.38Å |
| 188 | V | 91.8 | Very high | 89.3 | Confident | 8 Ų | 8 | 65.7 Ų | 65.7 | 5% | 0.048 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.3 | -39.7 | -178.2 | 174.3 | 0 | 0 | 0 | 0 | 111 | L131 F144 M178 S184 W185 S190 V191 V194 F197 | L131-V188 HydrophobicContact CD1-CG2 3.97Å; F144-V188 HydrophobicContact CE1-CG2 3.62Å; F144-V188 HydrophobicContact CZ-CG2 3.89Å; M178-V188 HydrophobicContact CE-CG2 3.58Å; M178-V188 HydrophobicContact SD-CG2 3.95Å; S184-V188 VanDerWaalsContact O-CG2 3.31Å; S184-V188 WeakPolarHBondContact O-CG2 3.5Å; S184-V188 PolarHBondContact O-N 2.61Å; W185-V188 PolarHBondContact O-N 3.1Å; V188-S190 VanDerWaalsContact C-N 3.29Å; V188-S190 PolarHBondContact O-N 2.97Å; V188-V191 WeakPolarHBondContact O-CB 3.39Å; V188-V191 PolarHBondContact O-N 3.18Å; V188-V194 HydrophobicContact CG1-CG1 4.15Å; V188-F197 HydrophobicContact CB-CE1 4.32Å; V188-F197 HydrophobicContact CB-CE2 4.22Å; V188-F197 HydrophobicContact CB-CZ 3.57Å; V188-F197 HydrophobicContact CG1-CE1 3.83Å; V188-F197 HydrophobicContact CG1-CE2 4.14Å; V188-F197 HydrophobicContact CG1-CZ 3.48Å; V188-F197 VanDerWaalsContact CG1-CZ 3.48Å; V188-F197 HydrophobicContact CG2-CZ 3.99Å |
| 189 | R | 89.8 | Confident | 88.8 | Confident | 126 Ų | 126 | 65.8 Ų | 65.8 | 48% | 0.475 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -69.1 | -24.7 | 174.8 | -71.1 | -168.8 | 68.2 | -173.9 | -0.1 | 113.8 | W185 H186 L187 V191 F197 | W185-R189 HydrophobicContact CD2-CG 4.49Å; W185-R189 VanDerWaalsContact CZ2-CD 3.42Å; W185-R189 WeakPolarHBondContact O-CG 3.43Å; W185-R189 PolarHBondContact O-N 3.28Å; W185-R189 VanDerWaalsContact O-N 3.15Å; H186-R189 PolarHBondContact O-N 3.44Å; L187-R189 VanDerWaalsContact C-N 3.31Å; L187-R189 PolarHBondContact O-N 3.33Å; R189-V191 VanDerWaalsContact C-N 3.3Å; R189-F197 HydrophobicContact CG-CE2 4.31Å |
| 190 | S | 91.4 | Very high | 88.4 | Confident | 66 Ų | 66 | 65 Ų | 65 | 46% | 0.462 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -75.5 | -19.7 | 176.1 | 78.4 | 0 | 0 | 0 | 0 | 113 | H186 L187 V188 | H186-S190 WeakPolarHBondContact O-CB 3.34Å; H186-S190 PolarHBondContact O-N 2.9Å; L187-S190 WeakPolarHBondContact O-CB 3.46Å; L187-S190 PolarHBondContact O-N 3.35Å; L187-S190 PolarHBondContact O-OG 2.99Å; V188-S190 VanDerWaalsContact C-N 3.29Å; V188-S190 PolarHBondContact O-N 2.97Å |
| 191 | V | 90.8 | Very high | 88 | Confident | 3 Ų | 3 | 64.7 Ų | 64.7 | 2% | 0.018 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -67.1 | 128.9 | 179.2 | 178 | 0 | 0 | 0 | 0 | 109.6 | L131 H134 L187 V188 R189 R193 V194 | L131-V191 HydrophobicContact CB-CG2 4.39Å; L131-V191 HydrophobicContact CD1-CG2 3.69Å; H134-V191 HydrophobicContact CB-CG2 4.16Å; L187-V191 PolarHBondContact O-N 3.38Å; V188-V191 WeakPolarHBondContact O-CB 3.39Å; V188-V191 PolarHBondContact O-N 3.18Å; R189-V191 VanDerWaalsContact C-N 3.3Å; V191-R193 PolarHBondContact O-N 2.87Å; V191-V194 HydrophobicContact CB-CG2 3.85Å; V191-V194 HydrophobicContact CG1-CG2 3.88Å; V191-V194 WeakPolarHBondContact O-CB 3.19Å; V191-V194 PolarHBondContact O-N 2.79Å |
| 192 | P | 88.7 | Confident | 87.2 | Confident | 68 Ų | 68 | 66.4 Ų | 66.4 | 44% | 0.442 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 142 | -178.6 | 24.8 | -34.7 | 0 | 0 | 0 | 111.2 | V194 | P192-V194 PolarHBondContact O-N 3.2Š|
| 193 | R | 86 | Confident | 86.5 | Confident | 112 Ų | 112 | 65.2 Ų | 65.2 | 42% | 0.423 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72 | 5.9 | 178.5 | -46.7 | 157.7 | -177.5 | -90.4 | 3.9 | 114.7 | F120 V127 V191 | F120-R193 HydrophobicContact CD1-CB 3.83Å; F120-R193 HydrophobicContact CD1-CG 4.25Å; F120-R193 HydrophobicContact CE1-CB 3.86Å; F120-R193 HydrophobicContact CE1-CG 3.97Å; V127-R193 HydrophobicContact CG2-CB 3.92Å; V191-R193 PolarHBondContact O-N 2.87Å |
| 194 | V | 87.1 | Confident | 86 | Confident | 37 Ų | 37 | 72.4 Ų | 72.4 | 22% | 0.224 | 40% | 0.395 | C | S | . | . | trans | -86.8 | 117.7 | 166.9 | 179.8 | 0 | 0 | 0 | 0 | 108.4 | V127 V188 V191 P192 | V127-V194 HydrophobicContact CG1-CG2 3.54Å; V188-V194 HydrophobicContact CG1-CG1 4.15Å; V191-V194 HydrophobicContact CB-CG2 3.85Å; V191-V194 HydrophobicContact CG1-CG2 3.88Å; V191-V194 WeakPolarHBondContact O-CB 3.19Å; V191-V194 PolarHBondContact O-N 2.79Å; P192-V194 PolarHBondContact O-N 3.2Å | ||
| 195 | M | 83.2 | Confident | 85.7 | Confident | 140 Ų | 140 | 73.3 Ų | 73.3 | 69% | 0.69 | 40% | 0.401 | S | S | * | . | trans | -76.1 | -35 | 177 | -73.6 | -170.4 | -76.5 | 0 | 0 | 112.1 | V116 | V116-M195 HydrophobicContact CG1-SD 4.3Š| ||
| 196 | G | 85.3 | Confident | 85.5 | Confident | 31 Ų | 31 | 74.5 Ų | 74.5 | 32% | 0.32 | 42% | 0.417 | S | S | . | . | trans | 154.1 | -171.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 197 | F | 88.8 | Confident | 85.4 | Confident | 65 Ų | 65 | 75 Ų | 75 | 29% | 0.285 | 43% | 0.43 | S | S | . | . | trans | -88.2 | 157.4 | 176 | -62.1 | -85.9 | 0 | 0 | 0 | 111.1 | M178 W185 V188 R189 P205 | M178-F197 HydrophobicContact CE-CE1 3.75Å; M178-F197 HydrophobicContact CE-CZ 4.21Å; M178-F197 HydrophobicContact SD-CE1 4.03Å; M178-F197 HydrophobicContact SD-CZ 4.1Å; W185-F197 AromaticContact CD1-CD2 3.68Å; W185-F197 AromaticContact CD1-CE2 3.29Å; W185-F197 AromaticContact CG-CE2 3.91Å; W185-F197 HydrophobicContact CG-CE2 3.91Å; W185-F197 AromaticContact NE1-CD2 3.64Å; W185-F197 AromaticContact NE1-CE2 3.67Å; V188-F197 HydrophobicContact CB-CE1 4.32Å; V188-F197 HydrophobicContact CB-CE2 4.22Å; V188-F197 HydrophobicContact CB-CZ 3.57Å; V188-F197 HydrophobicContact CG1-CE1 3.83Å; V188-F197 HydrophobicContact CG1-CE2 4.14Å; V188-F197 HydrophobicContact CG1-CZ 3.48Å; V188-F197 VanDerWaalsContact CG1-CZ 3.48Å; V188-F197 HydrophobicContact CG2-CZ 3.99Å; R189-F197 HydrophobicContact CG-CE2 4.31Å; F197-P205 HydrophobicContact CB-CB 3.4Å; F197-P205 VanDerWaalsContact CB-CB 3.4Å; F197-P205 HydrophobicContact CB-CG 3.94Å; F197-P205 HydrophobicContact CD1-CB 4.4Å; F197-P205 HydrophobicContact CD1-CG 4.25Å; F197-P205 HydrophobicContact CD2-CG 4.28Å; F197-P205 HydrophobicContact CG-CB 3.95Å; F197-P205 HydrophobicContact CG-CG 3.92Å | ||
| 198 | I | 86.5 | Confident | 85.3 | Confident | 114 Ų | 114 | 79 Ų | 79 | 59% | 0.585 | 45% | 0.451 | S | S | * | . | trans | -105.4 | 139.9 | 177.7 | -66.8 | 129 | 0 | 0 | 0 | 109.5 | Y173 | Y173-I198 HydrophobicContact CD1-CD1 3.31Å; Y173-I198 HydrophobicContact CE1-CD1 3.19Å; Y173-I198 HydrophobicContact CE1-CG1 4.01Å | ||
| 199 | G | 81 | Confident | 85.2 | Confident | 42 Ų | 42 | 81.2 Ų | 81.2 | 43% | 0.433 | 47% | 0.467 | S | S | . | . | S | Bend | trans | 90 | 157.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | P205 | G199-P205 WeakPolarHBondContact O-CA 3.25Š|
| 200 | G | 81.4 | Confident | 85.1 | Confident | 67 Ų | 67 | 80.8 Ų | 80.8 | 69% | 0.691 | 47% | 0.474 | S | S | * | . | S | Bend | trans | 66.7 | -142.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 201 | T | 80.5 | Confident | 85.1 | Confident | 91 Ų | 91 | 86 Ų | 86 | 56% | 0.558 | 49% | 0.488 | S | S | * | . | B | Isolated β-bridge | trans | -101.9 | 164.8 | 172.4 | 56 | 0 | 0 | 0 | 0 | 110.2 | D203 R204 | T201-D203 PolarHBondContact O-N 3.26Å; T201-R204 PolarHBondContact N-O 3.26Å; T201-R204 VanDerWaalsContact N-O 3.15Å; T201-R204 CarbonylContact O-C 3.31Å; T201-R204 VanDerWaalsContact O-C 3.31Å; T201-R204 PolarHBondContact O-N 3.19Å; T201-R204 VanDerWaalsContact O-N 3.14Å; T201-R204 PolarHBondContact OG1-N 3.05Å |
| 202 | S | 73.6 | Confident | 85 | Confident | 89 Ų | 89 | 90.8 Ų | 90.8 | 62% | 0.622 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -32.6 | 177.3 | 51.8 | 0 | 0 | 0 | 0 | 113.3 | W185 | W185-S202 WeakPolarHBondContact CZ2-O 3.41Å; W185-S202 PolarHBondContact NE1-O 2.97Å |
| 203 | D | 75.8 | Confident | 84.8 | Confident | 111 Ų | 111 | 88.8 Ų | 88.8 | 59% | 0.594 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -18.7 | -172.5 | -47.4 | -26.3 | 0 | 0 | 0 | 112.2 | T201 | T201-D203 PolarHBondContact O-N 3.26Š|
| 204 | R | 79.9 | Confident | 84.9 | Confident | 201 Ų | 201 | 87.8 Ų | 87.8 | 76% | 0.758 | 50% | 0.5 | S | S | * | . | B | Isolated β-bridge | trans | -137.1 | 90 | 179.9 | -71.1 | -172.1 | 175.5 | 174.9 | -1.1 | 110 | T201 | T201-R204 PolarHBondContact N-O 3.26Å; T201-R204 VanDerWaalsContact N-O 3.15Å; T201-R204 CarbonylContact O-C 3.31Å; T201-R204 VanDerWaalsContact O-C 3.31Å; T201-R204 PolarHBondContact O-N 3.19Å; T201-R204 VanDerWaalsContact O-N 3.14Å; T201-R204 PolarHBondContact OG1-N 3.05Å |
| 205 | P | 84.6 | Confident | 84.9 | Confident | 19 Ų | 19 | 88.8 Ų | 88.8 | 12% | 0.123 | 51% | 0.512 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 149 | 177.3 | 30.7 | -35.4 | 0 | 0 | 0 | 111.3 | M180 F197 G199 | M180-P205 HydrophobicContact CE-CG 3.29Å; M180-P205 HydrophobicContact SD-CG 3.88Å; F197-P205 HydrophobicContact CB-CB 3.4Å; F197-P205 VanDerWaalsContact CB-CB 3.4Å; F197-P205 HydrophobicContact CB-CG 3.94Å; F197-P205 HydrophobicContact CD1-CB 4.4Å; F197-P205 HydrophobicContact CD1-CG 4.25Å; F197-P205 HydrophobicContact CD2-CG 4.28Å; F197-P205 HydrophobicContact CG-CB 3.95Å; F197-P205 HydrophobicContact CG-CG 3.92Å; G199-P205 WeakPolarHBondContact O-CA 3.25Å |
| 206 | A | 86.1 | Confident | 84.9 | Confident | 53 Ų | 53 | 84 Ų | 84 | 44% | 0.438 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -76.7 | 124.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 207 | P | 89.9 | Confident | 84.6 | Confident | 125 Ų | 125 | 85.3 Ų | 85.3 | 81% | 0.812 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 143.8 | 172.9 | 29.6 | -33.4 | 0 | 0 | 0 | 110.1 | ||
| 208 | I | 89.2 | Confident | 84.3 | Confident | 92 Ų | 92 | 86.2 Ų | 86.2 | 47% | 0.472 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -92.3 | 137.5 | 170.4 | -60.3 | 175.3 | 0 | 0 | 0 | 107.1 | L175 E212 V213 | L175-I208 HydrophobicContact CD2-CD1 4.35Å; I208-E212 HydrophobicContact CG2-CB 3.61Å; I208-E212 WeakPolarHBondContact CG2-OE2 3.08Å; I208-V213 HydrophobicContact CB-CG2 4.48Å; I208-V213 HydrophobicContact CG2-CG2 3.86Å |
| 209 | S | 89.3 | Confident | 83.9 | Confident | 54 Ų | 54 | 88.5 Ų | 88.5 | 38% | 0.378 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 148.4 | 178.4 | 64.7 | 0 | 0 | 0 | 0 | 111.5 | K211 E212 V213 | S209-K211 PolarHBondContact O-N 2.94Å; S209-K211 VanDerWaalsContact O-N 3.14Å; S209-E212 PolarHBondContact N-OE2 3.49Å; S209-E212 WeakPolarHBondContact O-CB 3.31Å; S209-E212 PolarHBondContact O-N 3.14Å; S209-E212 VanDerWaalsContact OG-CG 3.24Å; S209-E212 WeakPolarHBondContact OG-CG 3.5Å; S209-E212 PolarHBondContact OG-N 3.31Å; S209-E212 PolarHBondContact OG-OE2 3.17Å; S209-V213 PolarHBondContact O-N 3.3Å; S209-V213 VanDerWaalsContact O-N 3.1Å |
| 210 | D | 88 | Confident | 83.5 | Confident | 116 Ų | 116 | 87.4 Ų | 87.4 | 62% | 0.62 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -55.9 | -35.4 | 178.1 | -59.3 | -29.3 | 0 | 0 | 0 | 111.8 | E212 V213 D214 | D210-E212 VanDerWaalsContact C-N 3.31Å; D210-E212 PolarHBondContact O-N 3.49Å; D210-V213 PolarHBondContact O-N 3.3Å; D210-D214 WeakPolarHBondContact O-CB 3.4Å; D210-D214 VanDerWaalsContact O-CG 3.27Å; D210-D214 PolarHBondContact O-N 3.48Å |
| 211 | K | 90.7 | Very high | 83 | Confident | 176 Ų | 176 | 90.4 Ų | 90.4 | 77% | 0.765 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -59.7 | -37.7 | 174.4 | -66.5 | -176.5 | -179.6 | 179.3 | 0 | 113.2 | S209 A215 | S209-K211 PolarHBondContact O-N 2.94Å; S209-K211 VanDerWaalsContact O-N 3.14Å; K211-A215 VanDerWaalsContact O-CB 3.32Å; K211-A215 WeakPolarHBondContact O-CB 3.47Å; K211-A215 PolarHBondContact O-N 3.3Å |
| 212 | E | 88.8 | Confident | 82.2 | Confident | 103 Ų | 103 | 93.8 Ų | 93.8 | 48% | 0.481 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -74 | -38.6 | 177.5 | -73.3 | 163.6 | 146.7 | 0 | 0 | 111 | I208 S209 D210 A215 I216 | I208-E212 HydrophobicContact CG2-CB 3.61Å; I208-E212 WeakPolarHBondContact CG2-OE2 3.08Å; S209-E212 PolarHBondContact N-OE2 3.49Å; S209-E212 WeakPolarHBondContact O-CB 3.31Å; S209-E212 PolarHBondContact O-N 3.14Å; S209-E212 VanDerWaalsContact OG-CG 3.24Å; S209-E212 WeakPolarHBondContact OG-CG 3.5Å; S209-E212 PolarHBondContact OG-N 3.31Å; S209-E212 PolarHBondContact OG-OE2 3.17Å; D210-E212 VanDerWaalsContact C-N 3.31Å; D210-E212 PolarHBondContact O-N 3.49Å; E212-A215 PolarHBondContact O-N 3.44Å; E212-I216 VanDerWaalsContact O-CG1 3.3Å; E212-I216 WeakPolarHBondContact O-CG1 3.08Å; E212-I216 PolarHBondContact O-N 2.86Å |
| 213 | V | 85.6 | Confident | 81.5 | Confident | 26 Ų | 26 | 92.3 Ų | 92.3 | 16% | 0.158 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -60.4 | -48 | 173.2 | 179.1 | 0 | 0 | 0 | 0 | 110.1 | M148 I208 S209 D210 A215 I216 M217 | M148-V213 HydrophobicContact CE-CG1 4.19Å; I208-V213 HydrophobicContact CB-CG2 4.48Å; I208-V213 HydrophobicContact CG2-CG2 3.86Å; S209-V213 PolarHBondContact O-N 3.3Å; S209-V213 VanDerWaalsContact O-N 3.1Å; D210-V213 PolarHBondContact O-N 3.3Å; V213-A215 VanDerWaalsContact C-N 3.31Å; V213-A215 PolarHBondContact O-N 3.29Å; V213-I216 WeakPolarHBondContact O-CB 3.44Å; V213-I216 PolarHBondContact O-N 3.43Å; V213-I216 VanDerWaalsContact O-N 3.13Å; V213-M217 WeakPolarHBondContact O-CG 3.32Å; V213-M217 PolarHBondContact O-N 3.16Å |
| 214 | D | 87.4 | Confident | 80.5 | Confident | 92 Ų | 92 | 89.1 Ų | 89.1 | 49% | 0.492 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.5 | -37.6 | 176.3 | -69.9 | -22.9 | 0 | 0 | 0 | 112.1 | D210 I216 M217 N218 | D210-D214 WeakPolarHBondContact O-CB 3.4Å; D210-D214 VanDerWaalsContact O-CG 3.27Å; D210-D214 PolarHBondContact O-N 3.48Å; D214-I216 VanDerWaalsContact C-N 3.33Å; D214-I216 PolarHBondContact O-N 3.26Å; D214-M217 PolarHBondContact O-N 3.47Å; D214-N218 VanDerWaalsContact O-CB 3.31Å; D214-N218 WeakPolarHBondContact O-CB 3.3Å; D214-N218 VanDerWaalsContact O-CG 3.25Å; D214-N218 PolarHBondContact O-N 2.89Å; D214-N218 PolarHBondContact O-ND2 3.3Å |
| 215 | A | 86.6 | Confident | 79.3 | Confident | 57 Ų | 57 | 86.8 Ų | 86.8 | 47% | 0.471 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.4 | -37.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K211 E212 V213 R219 | K211-A215 VanDerWaalsContact O-CB 3.32Å; K211-A215 WeakPolarHBondContact O-CB 3.47Å; K211-A215 PolarHBondContact O-N 3.3Å; E212-A215 PolarHBondContact O-N 3.44Å; V213-A215 VanDerWaalsContact C-N 3.31Å; V213-A215 PolarHBondContact O-N 3.29Å; A215-R219 WeakPolarHBondContact O-CB 3.31Å; A215-R219 PolarHBondContact O-N 2.89Å; A215-R219 VanDerWaalsContact O-N 3.12Å |
| 216 | I | 83.5 | Confident | 77.9 | Confident | 39 Ų | 39 | 94.3 Ų | 94.3 | 20% | 0.2 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -64.4 | -46.8 | 173.4 | -67.1 | 163.5 | 0 | 0 | 0 | 109.6 | F170 E212 V213 D214 R219 L220 | F170-I216 HydrophobicContact CE2-CG2 4.05Å; E212-I216 VanDerWaalsContact O-CG1 3.3Å; E212-I216 WeakPolarHBondContact O-CG1 3.08Å; E212-I216 PolarHBondContact O-N 2.86Å; V213-I216 WeakPolarHBondContact O-CB 3.44Å; V213-I216 PolarHBondContact O-N 3.43Å; V213-I216 VanDerWaalsContact O-N 3.13Å; D214-I216 VanDerWaalsContact C-N 3.33Å; D214-I216 PolarHBondContact O-N 3.26Å; I216-R219 PolarHBondContact O-N 3.37Å; I216-L220 HydrophobicContact CG2-CD1 4.4Å; I216-L220 WeakPolarHBondContact O-CG 3.23Å; I216-L220 PolarHBondContact O-N 3.31Å; I216-L220 VanDerWaalsContact O-N 3.08Å |
| 217 | M | 79.7 | Confident | 76.3 | Confident | 60 Ų | 60 | 97.8 Ų | 97.8 | 30% | 0.296 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.9 | -45.1 | 179.4 | -68.7 | -61.2 | -75 | 0 | 0 | 112.6 | M148 V213 D214 R219 L220 Q221 | M148-M217 HydrophobicContact SD-CE 4.32Å; M148-M217 HydrophobicContact SD-SD 4.49Å; V213-M217 WeakPolarHBondContact O-CG 3.32Å; V213-M217 PolarHBondContact O-N 3.16Å; D214-M217 PolarHBondContact O-N 3.47Å; M217-R219 VanDerWaalsContact C-N 3.27Å; M217-R219 PolarHBondContact O-N 3.44Å; M217-L220 WeakPolarHBondContact O-CB 3.27Å; M217-L220 PolarHBondContact O-N 3.23Å; M217-L220 VanDerWaalsContact O-N 3.09Å; M217-L220 HydrophobicContact SD-CD1 4.13Å; M217-Q221 PolarHBondContact O-N 2.97Å |
| 218 | N | 82.8 | Confident | 74.6 | Confident | 83 Ų | 83 | 101.9 Ų | 101.9 | 44% | 0.444 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62 | -36.4 | 177.1 | -76.3 | -32.9 | 0 | 0 | 0 | 111.6 | D214 L220 Q221 Q222 | D214-N218 VanDerWaalsContact O-CB 3.31Å; D214-N218 WeakPolarHBondContact O-CB 3.3Å; D214-N218 VanDerWaalsContact O-CG 3.25Å; D214-N218 PolarHBondContact O-N 2.89Å; D214-N218 PolarHBondContact O-ND2 3.3Å; N218-L220 VanDerWaalsContact C-N 3.35Å; N218-Q221 PolarHBondContact O-N 2.82Å; N218-Q222 WeakPolarHBondContact O-CB 3.24Å; N218-Q222 VanDerWaalsContact O-CG 3.27Å; N218-Q222 WeakPolarHBondContact O-CG 3.42Å; N218-Q222 PolarHBondContact O-N 2.91Å |
| 219 | R | 77.5 | Confident | 72.9 | Confident | 163 Ų | 163 | 100.2 Ų | 100.2 | 62% | 0.615 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68.2 | -34.3 | 175.2 | -173.7 | 173.5 | -78.5 | 171.7 | -3.6 | 112.1 | F169 A215 I216 M217 V223 | F169-R219 HydrophobicContact CZ-CG 4.46Å; A215-R219 WeakPolarHBondContact O-CB 3.31Å; A215-R219 PolarHBondContact O-N 2.89Å; A215-R219 VanDerWaalsContact O-N 3.12Å; I216-R219 PolarHBondContact O-N 3.37Å; M217-R219 VanDerWaalsContact C-N 3.27Å; M217-R219 PolarHBondContact O-N 3.44Å; R219-V223 WeakPolarHBondContact O-CG2 3.47Å |
| 220 | L | 73.4 | Confident | 71.3 | Confident | 18 Ų | 18 | 107.9 Ų | 107.9 | 9% | 0.094 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -66.3 | -42.2 | 173.5 | -66.2 | 171.6 | 0 | 0 | 0 | 111.4 | P150 F169 I216 M217 N218 | P150-L220 HydrophobicContact CB-CD1 4.12Å; F169-L220 HydrophobicContact CB-CD2 3.41Å; F169-L220 VanDerWaalsContact CB-CD2 3.41Å; F169-L220 HydrophobicContact CD1-CD2 4.07Å; F169-L220 HydrophobicContact CD2-CD2 3.96Å; F169-L220 HydrophobicContact CG-CD2 3.57Å; I216-L220 HydrophobicContact CG2-CD1 4.4Å; I216-L220 WeakPolarHBondContact O-CG 3.23Å; I216-L220 PolarHBondContact O-N 3.31Å; I216-L220 VanDerWaalsContact O-N 3.08Å; M217-L220 WeakPolarHBondContact O-CB 3.27Å; M217-L220 PolarHBondContact O-N 3.23Å; M217-L220 VanDerWaalsContact O-N 3.09Å; M217-L220 HydrophobicContact SD-CD1 4.13Å; N218-L220 VanDerWaalsContact C-N 3.35Å |
| 221 | Q | 69.9 | Low | 70 | Confident | 130 Ų | 130 | 105.8 Ų | 105.8 | 61% | 0.607 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -73.3 | -41.1 | -178.9 | -69.4 | 179.4 | -4.7 | 0 | 0 | 113 | M217 N218 V223 G224 | M217-Q221 PolarHBondContact O-N 2.97Å; N218-Q221 PolarHBondContact O-N 2.82Å; Q221-V223 PolarHBondContact O-N 2.82Å; Q221-G224 PolarHBondContact O-N 3.04Å; Q221-G224 VanDerWaalsContact O-N 3.15Å |
| 222 | Q | 64.8 | Low | 69 | Low | 162 Ų | 162 | 103.5 Ų | 103.5 | 76% | 0.757 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.9 | -24.2 | -177.2 | -78.4 | 179.6 | 7.1 | 0 | 0 | 114.1 | N218 | N218-Q222 WeakPolarHBondContact O-CB 3.24Å; N218-Q222 VanDerWaalsContact O-CG 3.27Å; N218-Q222 WeakPolarHBondContact O-CG 3.42Å; N218-Q222 PolarHBondContact O-N 2.91Å |
| 223 | V | 58.5 | Low | 68.2 | Low | 59 Ų | 59 | 99 Ų | 99 | 36% | 0.358 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -85.1 | -24.4 | 178.5 | -177.7 | 0 | 0 | 0 | 0 | 111.6 | E152 R219 Q221 D225 | E152-V223 WeakPolarHBondContact OE1-CG1 3.49Å; R219-V223 WeakPolarHBondContact O-CG2 3.47Å; Q221-V223 PolarHBondContact O-N 2.82Å; V223-D225 VanDerWaalsContact C-N 3.33Å; V223-D225 PolarHBondContact O-N 3.45Å |
| 224 | G | 53.6 | Low | 67.8 | Low | 44 Ų | 44 | 104.2 Ų | 104.2 | 45% | 0.454 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.3 | -21.5 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q221 | Q221-G224 PolarHBondContact O-N 3.04Å; Q221-G224 VanDerWaalsContact O-N 3.15Å |
| 225 | D | 55.4 | Low | 67.7 | Low | 152 Ų | 152 | 104.2 Ų | 104.2 | 81% | 0.813 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -12.3 | -170.3 | -98.7 | -12.8 | 0 | 0 | 0 | 115.6 | V223 | V223-D225 VanDerWaalsContact C-N 3.33Å; V223-D225 PolarHBondContact O-N 3.45Å |
| 226 | K | 54.6 | Low | 67.4 | Low | 177 Ų | 177 | 104 Ų | 104 | 77% | 0.77 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -128.9 | 107.1 | 178.4 | -71.9 | -173.9 | -179.3 | -178.2 | 0 | 112 | R228 | K226-R228 PolarHBondContact O-N 3.34Å; K226-R228 VanDerWaalsContact O-N 3.16Å |
| 227 | P | 54.1 | Low | 67.1 | Low | 126 Ų | 126 | 104.6 Ų | 104.6 | 82% | 0.818 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 119 | 176.1 | 25.1 | -31.8 | 0 | 0 | 0 | 109.8 | ||
| 228 | R | 53.5 | Low | 67.1 | Low | 210 Ų | 210 | 104.8 Ų | 104.8 | 79% | 0.792 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -80.4 | 127.1 | 173.9 | -66.4 | -173.7 | -177.6 | -176.1 | 0.8 | 109.8 | K226 | K226-R228 PolarHBondContact O-N 3.34Å; K226-R228 VanDerWaalsContact O-N 3.16Å |
| 229 | P | 53.2 | Low | 67 | Low | 58 Ų | 58 | 100.9 Ų | 100.9 | 38% | 0.377 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 141.7 | 173.3 | 23.7 | -29.6 | 0 | 0 | 0 | 110.5 | T231 Y258 F280 | P229-T231 VanDerWaalsContact C-N 3.29Å; P229-T231 PolarHBondContact O-N 3.43Å; P229-Y258 HydrophobicContact CG-CD1 4.07Å; P229-Y258 HydrophobicContact CG-CE1 4.46Å; P229-F280 HydrophobicContact CB-CD2 4.2Å; P229-F280 HydrophobicContact CB-CE2 4.11Å; P229-F280 HydrophobicContact CG-CE2 4.38Å |
| 230 | K | 56 | Low | 67.2 | Low | 214 Ų | 214 | 98.2 Ų | 98.2 | 93% | 0.93 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -69 | -25.6 | -177.5 | -78.2 | -177.5 | 177.4 | 176.8 | 0 | 113.6 | ||
| 231 | T | 59.5 | Low | 67.8 | Low | 72 Ų | 72 | 97.3 Ų | 97.3 | 44% | 0.442 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -122.6 | 124.6 | -178.4 | 49.1 | 0 | 0 | 0 | 0 | 108.6 | P229 F233 | P229-T231 VanDerWaalsContact C-N 3.29Å; P229-T231 PolarHBondContact O-N 3.43Å; T231-F233 WeakPolarHBondContact OG1-CE2 3.49Å |
| 232 | L | 70.2 | Confident | 68.3 | Low | 128 Ų | 128 | 95.5 Ų | 95.5 | 67% | 0.67 | 50% | 0.497 | S | S | * | . | trans | -91.9 | 130.4 | 172.6 | -140.2 | 75.9 | 0 | 0 | 0 | 107.2 | Y258 | L232-Y258 HydrophobicContact CD1-CE1 4.05Å; L232-Y258 HydrophobicContact CG-CE1 4.45Å | ||
| 233 | F | 73.5 | Confident | 68.9 | Low | 8 Ų | 8 | 92.6 Ų | 92.6 | 4% | 0.035 | 49% | 0.486 | C | S | . | . | trans | -113.5 | 140.4 | 177.7 | -66.3 | -78 | 0 | 0 | 0 | 109.1 | T231 V239 V256 Y258 L263 F280 V283 | T231-F233 WeakPolarHBondContact OG1-CE2 3.49Å; F233-V239 HydrophobicContact CD1-CG1 4.42Å; F233-V239 HydrophobicContact CE1-CG1 4.48Å; F233-V256 HydrophobicContact CB-CG1 4.37Å; F233-V256 HydrophobicContact CB-CG2 4.12Å; F233-Y258 PolarHBondContact N-OH 3.36Å; F233-Y258 PolarHBondContact O-OH 2.98Å; F233-L263 HydrophobicContact CB-CD2 3.68Å; F233-L263 HydrophobicContact CD1-CD1 4.13Å; F233-L263 HydrophobicContact CD2-CD1 3.82Å; F233-L263 HydrophobicContact CD2-CD2 3.85Å; F233-L263 HydrophobicContact CD2-CG 4.3Å; F233-L263 HydrophobicContact CE1-CD1 4.13Å; F233-L263 HydrophobicContact CE2-CD1 3.83Å; F233-L263 HydrophobicContact CG-CD1 3.97Å; F233-L263 HydrophobicContact CG-CD2 3.81Å; F233-L263 HydrophobicContact CZ-CD1 3.98Å; F233-F280 HydrophobicContact CD2-CD1 4.2Å; F233-F280 AromaticContact CD2-CD2 3.96Å; F233-F280 HydrophobicContact CD2-CD2 3.96Å; F233-F280 HydrophobicContact CD2-CE1 4.26Å; F233-F280 HydrophobicContact CD2-CE2 4.02Å; F233-F280 HydrophobicContact CD2-CG 4.06Å; F233-F280 HydrophobicContact CD2-CZ 4.18Å; F233-F280 HydrophobicContact CE2-CB 3.94Å; F233-F280 HydrophobicContact CE2-CD1 4.15Å; F233-F280 AromaticContact CE2-CD2 3.81Å; F233-F280 HydrophobicContact CE2-CD2 3.81Å; F233-F280 HydrophobicContact CE2-CE2 4.36Å; F233-F280 AromaticContact CE2-CG 3.7Å; F233-F280 HydrophobicContact CE2-CG 3.7Å; F233-V283 HydrophobicContact CE1-CG1 4.48Å | ||
| 234 | E | 77.1 | Confident | 70.1 | Confident | 137 Ų | 137 | 91.3 Ų | 91.3 | 64% | 0.64 | 49% | 0.486 | S | S | * | . | trans | -110.3 | 141.1 | 175.9 | -67.5 | -172.6 | 168 | 0 | 0 | 111.2 | G236 E237 | E234-G236 PolarHBondContact O-N 3.15Å; E234-E237 VanDerWaalsContact O-CB 3.26Å; E234-E237 WeakPolarHBondContact O-CB 3.29Å; E234-E237 PolarHBondContact O-N 2.89Å; E234-E237 VanDerWaalsContact O-N 3.1Å | ||
| 235 | P | 84 | Confident | 71.5 | Confident | 92 Ų | 92 | 95 Ų | 95 | 60% | 0.597 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 130.7 | 168 | -25 | 34.8 | 0 | 0 | 0 | 111.1 | V256 | P235-V256 HydrophobicContact CG-CG2 4.4Š|
| 236 | G | 81.5 | Confident | 72.9 | Confident | 51 Ų | 51 | 90.7 Ų | 90.7 | 53% | 0.526 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.8 | -8.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | E234 V253 | E234-G236 PolarHBondContact O-N 3.15Å; G236-V253 PolarHBondContact N-O 3.43Å |
| 237 | E | 76.4 | Confident | 74.1 | Confident | 52 Ų | 52 | 84 Ų | 84 | 24% | 0.243 | 45% | 0.453 | C | S | . | . | trans | -67.7 | 134.9 | 177.4 | -167.9 | 175.9 | 177.8 | 0 | 0 | 111.2 | E234 V239 V253 | E234-E237 VanDerWaalsContact O-CB 3.26Å; E234-E237 WeakPolarHBondContact O-CB 3.29Å; E234-E237 PolarHBondContact O-N 2.89Å; E234-E237 VanDerWaalsContact O-N 3.1Å; E237-V239 HydrophobicContact CG-CG1 4.23Å; E237-V253 HydrophobicContact CB-CG2 4.37Å; E237-V253 WeakPolarHBondContact O-CG2 3.24Å; E237-V253 PolarHBondContact O-N 3.04Å | ||
| 238 | M | 78.8 | Confident | 75.4 | Confident | 64 Ų | 64 | 83.2 Ų | 83.2 | 32% | 0.315 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 124.9 | 170.1 | -68.6 | -84.1 | -63.7 | 0 | 0 | 109.6 | G251 V252 M287 | M238-G251 WeakPolarHBondContact CA-O 3.43Å; M238-V252 HydrophobicContact CG-CG2 4.47Å; M238-V252 HydrophobicContact SD-CG2 3.41Å; M238-V252 WeakPolarHBondContact SD-CG2 3.5Å; M238-M287 HydrophobicContact CB-CE 3.55Å; M238-M287 HydrophobicContact CB-CG 3.97Å; M238-M287 HydrophobicContact CB-SD 3.61Å; M238-M287 HydrophobicContact CG-CE 3.93Å; M238-M287 HydrophobicContact CG-SD 3.76Å |
| 239 | V | 80.9 | Confident | 76.9 | Confident | 1 Ų | 1 | 77 Ų | 77 | 1% | 0.006 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 151.3 | -177.3 | -63.6 | 0 | 0 | 0 | 0 | 111.2 | F233 E237 N250 G251 V253 V265 V283 | F233-V239 HydrophobicContact CD1-CG1 4.42Å; F233-V239 HydrophobicContact CE1-CG1 4.48Å; E237-V239 HydrophobicContact CG-CG1 4.23Å; V239-N250 WeakPolarHBondContact O-CA 3.37Å; V239-G251 PolarHBondContact N-O 3.34Å; V239-G251 PolarHBondContact O-N 2.99Å; V239-V253 HydrophobicContact CB-CG2 4.42Å; V239-V253 HydrophobicContact CG1-CG2 3.66Å; V239-V253 HydrophobicContact CG2-CG2 3.86Å; V239-V265 HydrophobicContact CG2-CB 4.48Å; V239-V265 HydrophobicContact CG2-CG1 3.67Å; V239-V265 HydrophobicContact CG2-CG2 3.91Å; V239-V283 HydrophobicContact CB-CG1 3.27Å; V239-V283 HydrophobicContact CG1-CG1 3.81Å; V239-V283 HydrophobicContact CG2-CG1 3.54Å |
| 240 | R | 83.1 | Confident | 78.4 | Confident | 107 Ų | 107 | 78.4 Ų | 78.4 | 40% | 0.404 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 131.9 | 174.6 | -179.8 | 175.2 | 178.1 | 170.7 | 0.4 | 109.4 | D248 N250 V283 A284 | R240-D248 IonicContact CZ-OD1 2.62Å; R240-D248 IonicContact NE-OD1 2.97Å; R240-D248 IonicContact NH2-OD1 3.43Å; R240-D248 PolarHBondContact NH2-OD1 3Å; R240-N250 WeakPolarHBondContact CG-OD1 3.24Å; R240-V283 CarbonylContact O-C 3.57Å; R240-V283 WeakPolarHBondContact O-CA 3.39Å; R240-A284 PolarHBondContact N-O 3.37Å; R240-A284 PolarHBondContact O-N 2.95Å |
| 241 | V | 85.2 | Confident | 79.7 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 122.8 | 174.3 | -171.2 | 0 | 0 | 0 | 0 | 108.3 | D243 F246 D248 F249 V267 L278 | V241-D243 VanDerWaalsContact CG1-O 3.25Å; V241-D243 WeakPolarHBondContact CG1-O 3.2Å; V241-F246 VanDerWaalsContact CB-O 3.3Å; V241-F246 WeakPolarHBondContact CB-O 3.37Å; V241-F246 HydrophobicContact CG1-CB 4.35Å; V241-F246 WeakPolarHBondContact CG1-O 3.42Å; V241-D248 PolarHBondContact O-N 2.64Å; V241-F249 PolarHBondContact N-O 3.5Å; V241-V267 HydrophobicContact CG2-CG2 4.39Å; V241-L278 HydrophobicContact CB-CD1 4.27Å; V241-L278 HydrophobicContact CG1-CD1 3.96Å; V241-L278 HydrophobicContact CG1-CD2 4.17Å; V241-L278 HydrophobicContact CG2-CD1 3.37Å |
| 242 | N | 80.8 | Confident | 81 | Confident | 92 Ų | 92 | 67.6 Ų | 67.6 | 49% | 0.492 | 38% | 0.378 | S | S | . | . | trans | -100 | -20.2 | -179.1 | -77.3 | -6.8 | 0 | 0 | 0 | 113.2 | Q282 A284 | N242-Q282 PolarHBondContact N-O 3.38Å; N242-A284 WeakPolarHBondContact ND2-CB 3.36Å | ||
| 243 | D | 77.7 | Confident | 81.9 | Confident | 100 Ų | 100 | 61.6 Ų | 61.6 | 54% | 0.535 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -139.2 | 157.9 | -172.3 | -167.4 | 18.7 | 0 | 0 | 0 | 111.4 | V241 Q282 | V241-D243 VanDerWaalsContact CG1-O 3.25Å; V241-D243 WeakPolarHBondContact CG1-O 3.2Å; D243-Q282 HydrophobicContact CB-CB 4.32Å; D243-Q282 HydrophobicContact CB-CG 4.21Å |
| 244 | G | 82.9 | Confident | 82.6 | Confident | 33 Ų | 33 | 66 Ų | 66 | 34% | 0.34 | 37% | 0.367 | S | S | . | . | S | Bend | trans | 87.1 | -174.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | F246 A247 | G244-F246 PolarHBondContact O-N 3.04Å; G244-F246 VanDerWaalsContact O-N 3.13Å; G244-A247 WeakPolarHBondContact O-CB 3.4Å; G244-A247 PolarHBondContact O-N 3.42Å |
| 245 | P | 84.3 | Confident | 83.1 | Confident | 122 Ų | 122 | 65.3 Ų | 65.3 | 79% | 0.792 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -15.1 | -175.5 | 27 | -34.4 | 0 | 0 | 0 | 113.8 | ||
| 246 | F | 84 | Confident | 83.2 | Confident | 61 Ų | 61 | 62 Ų | 62 | 27% | 0.268 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 20 | 176.2 | -50.4 | -73 | 0 | 0 | 0 | 112.2 | V241 G244 D248 F249 I269 V276 | V241-F246 VanDerWaalsContact CB-O 3.3Å; V241-F246 WeakPolarHBondContact CB-O 3.37Å; V241-F246 HydrophobicContact CG1-CB 4.35Å; V241-F246 WeakPolarHBondContact CG1-O 3.42Å; G244-F246 PolarHBondContact O-N 3.04Å; G244-F246 VanDerWaalsContact O-N 3.13Å; F246-D248 PolarHBondContact O-N 3.38Å; F246-F249 HydrophobicContact CB-CD2 4.24Å; F246-F249 WeakPolarHBondContact O-CB 3.41Å; F246-F249 WeakPolarHBondContact O-CD2 3.38Å; F246-F249 PolarHBondContact O-N 2.92Å; F246-I269 HydrophobicContact CD1-CD1 3.54Å; F246-I269 HydrophobicContact CE1-CD1 3.45Å; F246-I269 VanDerWaalsContact CE1-CD1 3.45Å; F246-V276 HydrophobicContact CD2-CG1 3.7Å; F246-V276 HydrophobicContact CD2-CG2 4.17Å; F246-V276 HydrophobicContact CE2-CB 4.48Å; F246-V276 HydrophobicContact CE2-CG1 3.64Å; F246-V276 HydrophobicContact CE2-CG2 3.92Å; F246-V276 HydrophobicContact CZ-CG2 4.12Å |
| 247 | A | 80.3 | Confident | 83.4 | Confident | 36 Ų | 36 | 62 Ų | 62 | 30% | 0.298 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 141.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | G244 F249 | G244-A247 WeakPolarHBondContact O-CB 3.4Å; G244-A247 PolarHBondContact O-N 3.42Å; A247-F249 VanDerWaalsContact C-N 3.25Å; A247-F249 PolarHBondContact O-N 3.48Å |
| 248 | D | 80.7 | Confident | 83.7 | Confident | 110 Ų | 110 | 64.1 Ų | 64.1 | 59% | 0.588 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.8 | 1.9 | -176.2 | -61.4 | -47.4 | 0 | 0 | 0 | 117 | R240 V241 F246 | R240-D248 IonicContact CZ-OD1 2.62Å; R240-D248 IonicContact NE-OD1 2.97Å; R240-D248 IonicContact NH2-OD1 3.43Å; R240-D248 PolarHBondContact NH2-OD1 3Å; V241-D248 PolarHBondContact O-N 2.64Å; F246-D248 PolarHBondContact O-N 3.38Å |
| 249 | F | 84.8 | Confident | 83.7 | Confident | 78 Ų | 78 | 70 Ų | 70 | 34% | 0.342 | 36% | 0.363 | S | S | . | . | trans | -84.9 | 148.9 | 170.5 | -71.5 | -93.3 | 0 | 0 | 0 | 112.3 | V241 F246 A247 V267 I269 | V241-F249 PolarHBondContact N-O 3.5Å; F246-F249 HydrophobicContact CB-CD2 4.24Å; F246-F249 WeakPolarHBondContact O-CB 3.41Å; F246-F249 WeakPolarHBondContact O-CD2 3.38Å; F246-F249 PolarHBondContact O-N 2.92Å; A247-F249 VanDerWaalsContact C-N 3.25Å; A247-F249 PolarHBondContact O-N 3.48Å; F249-V267 HydrophobicContact CB-CG1 3.38Å; F249-V267 HydrophobicContact CD1-CG1 4.04Å; F249-V267 HydrophobicContact CG-CG1 3.92Å; F249-I269 HydrophobicContact CD1-CG1 4.31Å; F249-I269 HydrophobicContact CE1-CG1 4.23Å; F249-I269 HydrophobicContact CE1-CG2 4.44Å | ||
| 250 | N | 84.3 | Confident | 83.7 | Confident | 88 Ų | 88 | 76.9 Ų | 76.9 | 47% | 0.471 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 145.1 | 172.6 | -59.1 | -40.5 | 0 | 0 | 0 | 109.8 | V239 R240 | V239-N250 WeakPolarHBondContact O-CA 3.37Å; R240-N250 WeakPolarHBondContact CG-OD1 3.24Å |
| 251 | G | 84.6 | Confident | 83.6 | Confident | 4 Ų | 4 | 74.4 Ų | 74.4 | 4% | 0.041 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 170.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | M238 V239 S266 | M238-G251 WeakPolarHBondContact CA-O 3.43Å; V239-G251 PolarHBondContact N-O 3.34Å; V239-G251 PolarHBondContact O-N 2.99Å; G251-S266 CarbonylContact C-O 3.56Å; G251-S266 WeakPolarHBondContact CA-O 3.41Å |
| 252 | V | 86.8 | Confident | 83.7 | Confident | 56 Ų | 56 | 79.5 Ų | 79.5 | 34% | 0.339 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 132.3 | 177.9 | -179 | 0 | 0 | 0 | 0 | 109.1 | M238 E254 V265 S266 | M238-V252 HydrophobicContact CG-CG2 4.47Å; M238-V252 HydrophobicContact SD-CG2 3.41Å; M238-V252 WeakPolarHBondContact SD-CG2 3.5Å; V252-E254 PolarHBondContact O-N 3.3Å; V252-V265 CarbonylContact O-C 3.57Å; V252-V265 WeakPolarHBondContact O-CA 3.5Å; V252-S266 PolarHBondContact N-O 3.01Å; V252-S266 PolarHBondContact O-N 3.24Å |
| 253 | V | 88.4 | Confident | 84 | Confident | 1 Ų | 1 | 75.2 Ų | 75.2 | 1% | 0.006 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 120.8 | 173.1 | 179.4 | 0 | 0 | 0 | 0 | 109.3 | G236 E237 V239 V256 L263 V265 | G236-V253 PolarHBondContact N-O 3.43Å; E237-V253 HydrophobicContact CB-CG2 4.37Å; E237-V253 WeakPolarHBondContact O-CG2 3.24Å; E237-V253 PolarHBondContact O-N 3.04Å; V239-V253 HydrophobicContact CB-CG2 4.42Å; V239-V253 HydrophobicContact CG1-CG2 3.66Å; V239-V253 HydrophobicContact CG2-CG2 3.86Å; V253-V256 HydrophobicContact CG1-CG2 3.53Å; V253-L263 HydrophobicContact CG1-CD2 4.14Å; V253-V265 HydrophobicContact CG2-CG2 4.33Å |
| 254 | E | 87.5 | Confident | 84.7 | Confident | 100 Ų | 100 | 74.2 Ų | 74.2 | 47% | 0.467 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -43.6 | 173.3 | -68.1 | -170 | 166.8 | 0 | 0 | 111.7 | V252 K264 S266 | V252-E254 PolarHBondContact O-N 3.3Å; E254-K264 PolarHBondContact N-O 2.99Å; E254-K264 IonicContact OE2-NZ 2.66Å; E254-S266 VanDerWaalsContact CD-OG 3.22Å; E254-S266 PolarHBondContact OE1-OG 3.47Å |
| 255 | E | 87.5 | Confident | 85 | Confident | 124 Ų | 124 | 72.6 Ų | 72.6 | 58% | 0.579 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 146.1 | -173.3 | -167.2 | 174.7 | -176 | 0 | 0 | 110.2 | K264 | E255-K264 HydrophobicContact CB-CB 4.15Å; E255-K264 PolarHBondContact O-N 2.93Å |
| 256 | V | 87 | Confident | 85.3 | Confident | 22 Ų | 22 | 67.7 Ų | 67.7 | 13% | 0.133 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 111.8 | -177.9 | -174.2 | 0 | 0 | 0 | 0 | 109.1 | F233 P235 V253 Y258 L263 F280 | F233-V256 HydrophobicContact CB-CG1 4.37Å; F233-V256 HydrophobicContact CB-CG2 4.12Å; P235-V256 HydrophobicContact CG-CG2 4.4Å; V253-V256 HydrophobicContact CG1-CG2 3.53Å; V256-Y258 HydrophobicContact CB-CD2 4.45Å; V256-Y258 HydrophobicContact CB-CE2 3.97Å; V256-Y258 HydrophobicContact CG1-CD1 4.21Å; V256-Y258 HydrophobicContact CG1-CD2 3.81Å; V256-Y258 HydrophobicContact CG1-CE1 3.88Å; V256-Y258 HydrophobicContact CG1-CE2 3.42Å; V256-Y258 VanDerWaalsContact CG1-CE2 3.42Å; V256-Y258 HydrophobicContact CG1-CG 4.2Å; V256-Y258 VanDerWaalsContact CG1-CZ 3.46Å; V256-L263 HydrophobicContact CB-CD2 4.12Å; V256-L263 HydrophobicContact CG1-CD2 3.74Å; V256-L263 HydrophobicContact CG2-CD2 3.7Å; V256-F280 HydrophobicContact CG1-CE1 4.05Å; V256-F280 HydrophobicContact CG1-CZ 3.67Å |
| 257 | D | 86 | Confident | 85.4 | Confident | 51 Ų | 51 | 64.8 Ų | 64.8 | 27% | 0.273 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 97.8 | 172.4 | -172.4 | -24.3 | 0 | 0 | 0 | 108.9 | E259 K260 S261 R262 | D257-E259 VanDerWaalsContact C-N 3.35Å; D257-E259 PolarHBondContact OD1-N 3.08Å; D257-K260 PolarHBondContact OD1-N 3.47Å; D257-K260 VanDerWaalsContact OD2-CD 3.27Å; D257-K260 WeakPolarHBondContact OD2-CD 3.31Å; D257-K260 WeakPolarHBondContact OD2-CG 3.28Å; D257-K260 IonicContact OD2-NZ 3.97Å; D257-K260 PolarHBondContact OD2-NZ 3.11Å; D257-S261 WeakPolarHBondContact O-CA 3.45Å; D257-S261 PolarHBondContact O-N 2.69Å; D257-R262 PolarHBondContact N-O 2.94Å; D257-R262 PolarHBondContact O-N 3.13Å |
| 258 | Y | 82.4 | Confident | 85.6 | Confident | 97 Ų | 97 | 66.6 Ų | 66.6 | 38% | 0.38 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -27.5 | 178.4 | -71.4 | -79.1 | 0 | 0 | 0 | 113.3 | P229 L232 F233 V256 F280 | P229-Y258 HydrophobicContact CG-CD1 4.07Å; P229-Y258 HydrophobicContact CG-CE1 4.46Å; L232-Y258 HydrophobicContact CD1-CE1 4.05Å; L232-Y258 HydrophobicContact CG-CE1 4.45Å; F233-Y258 PolarHBondContact N-OH 3.36Å; F233-Y258 PolarHBondContact O-OH 2.98Å; V256-Y258 HydrophobicContact CB-CD2 4.45Å; V256-Y258 HydrophobicContact CB-CE2 3.97Å; V256-Y258 HydrophobicContact CG1-CD1 4.21Å; V256-Y258 HydrophobicContact CG1-CD2 3.81Å; V256-Y258 HydrophobicContact CG1-CE1 3.88Å; V256-Y258 HydrophobicContact CG1-CE2 3.42Å; V256-Y258 VanDerWaalsContact CG1-CE2 3.42Å; V256-Y258 HydrophobicContact CG1-CG 4.2Å; V256-Y258 VanDerWaalsContact CG1-CZ 3.46Å; Y258-F280 AromaticContact CD1-CE2 3.9Å; Y258-F280 HydrophobicContact CD1-CE2 3.9Å; Y258-F280 AromaticContact CD1-CZ 3.84Å; Y258-F280 HydrophobicContact CD1-CZ 3.84Å; Y258-F280 HydrophobicContact CE1-CE2 4.07Å; Y258-F280 HydrophobicContact CE1-CZ 4.07Å |
| 259 | E | 78 | Confident | 85.7 | Confident | 188 Ų | 188 | 62.6 Ų | 62.6 | 88% | 0.879 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -38.5 | -179.7 | -62.9 | -167.7 | 159 | 0 | 0 | 110.7 | D257 | D257-E259 VanDerWaalsContact C-N 3.35Å; D257-E259 PolarHBondContact OD1-N 3.08Å |
| 260 | K | 81.9 | Confident | 85.5 | Confident | 144 Ų | 144 | 68.9 Ų | 68.9 | 63% | 0.626 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -5.4 | 176.8 | -60.4 | -177.9 | -164.6 | 146.4 | 0 | 114 | D257 R262 | D257-K260 PolarHBondContact OD1-N 3.47Å; D257-K260 VanDerWaalsContact OD2-CD 3.27Å; D257-K260 WeakPolarHBondContact OD2-CD 3.31Å; D257-K260 WeakPolarHBondContact OD2-CG 3.28Å; D257-K260 IonicContact OD2-NZ 3.97Å; D257-K260 PolarHBondContact OD2-NZ 3.11Å; K260-R262 VanDerWaalsContact C-N 3.31Å; K260-R262 HydrophobicContact CB-CG 4.38Å; K260-R262 PolarHBondContact O-N 2.95Å |
| 261 | S | 81.2 | Confident | 85.2 | Confident | 56 Ų | 56 | 68.2 Ų | 68.2 | 39% | 0.392 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 40.3 | -175.2 | -58.4 | 0 | 0 | 0 | 0 | 113.5 | D257 F280 | D257-S261 WeakPolarHBondContact O-CA 3.45Å; D257-S261 PolarHBondContact O-N 2.69Å; S261-F280 VanDerWaalsContact C-CE1 3.46Å; S261-F280 WeakPolarHBondContact O-CD1 3.44Å; S261-F280 PolarHBondContact O-N 3.39Å |
| 262 | R | 86.1 | Confident | 85.3 | Confident | 107 Ų | 107 | 77.3 Ų | 77.3 | 40% | 0.404 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 143.5 | -178.1 | -71.7 | -170.9 | 171.8 | -157.4 | -0.8 | 112.6 | D257 K260 E277 L278 D279 | D257-R262 PolarHBondContact N-O 2.94Å; D257-R262 PolarHBondContact O-N 3.13Å; K260-R262 VanDerWaalsContact C-N 3.31Å; K260-R262 HydrophobicContact CB-CG 4.38Å; K260-R262 PolarHBondContact O-N 2.95Å; R262-E277 IonicContact NH1-OE2 2.97Å; R262-E277 PolarHBondContact NH1-OE2 3.2Å; R262-L278 CarbonylContact C-O 3.53Å; R262-L278 WeakPolarHBondContact CA-O 3.17Å; R262-D279 IonicContact NE-OD1 3.5Å |
| 263 | L | 88 | Confident | 85.4 | Confident | 1 Ų | 1 | 78.4 Ų | 78.4 | 1% | 0.005 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 130.5 | 175.2 | -62.8 | 166.6 | 0 | 0 | 0 | 108.6 | F233 V253 V256 V265 E277 L278 F280 V283 | F233-L263 HydrophobicContact CB-CD2 3.68Å; F233-L263 HydrophobicContact CD1-CD1 4.13Å; F233-L263 HydrophobicContact CD2-CD1 3.82Å; F233-L263 HydrophobicContact CD2-CD2 3.85Å; F233-L263 HydrophobicContact CD2-CG 4.3Å; F233-L263 HydrophobicContact CE1-CD1 4.13Å; F233-L263 HydrophobicContact CE2-CD1 3.83Å; F233-L263 HydrophobicContact CG-CD1 3.97Å; F233-L263 HydrophobicContact CG-CD2 3.81Å; F233-L263 HydrophobicContact CZ-CD1 3.98Å; V253-L263 HydrophobicContact CG1-CD2 4.14Å; V256-L263 HydrophobicContact CB-CD2 4.12Å; V256-L263 HydrophobicContact CG1-CD2 3.74Å; V256-L263 HydrophobicContact CG2-CD2 3.7Å; L263-V265 HydrophobicContact CB-CG2 3.79Å; L263-E277 CarbonylContact O-C 3.59Å; L263-E277 WeakPolarHBondContact O-CA 3.49Å; L263-L278 PolarHBondContact N-O 2.7Å; L263-L278 PolarHBondContact O-N 3.32Å; L263-F280 HydrophobicContact CD1-CD1 4.05Å; L263-F280 HydrophobicContact CD1-CE1 4.45Å; L263-F280 HydrophobicContact CD2-CD1 4.11Å; L263-F280 HydrophobicContact CD2-CE1 3.66Å; L263-F280 HydrophobicContact CD2-CZ 4.37Å; L263-F280 HydrophobicContact CG-CD1 3.63Å; L263-F280 HydrophobicContact CG-CE1 3.65Å; L263-V283 HydrophobicContact CD1-CB 4.14Å; L263-V283 HydrophobicContact CD1-CG1 4.28Å; L263-V283 HydrophobicContact CD1-CG2 3.98Å |
| 264 | K | 91.5 | Very high | 85.4 | Confident | 79 Ų | 79 | 81.1 Ų | 81.1 | 34% | 0.343 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 107.9 | 166 | -170.5 | 176.7 | 177.6 | -173.5 | 0 | 107.8 | E254 E255 P275 | E254-K264 PolarHBondContact N-O 2.99Å; E254-K264 IonicContact OE2-NZ 2.66Å; E255-K264 HydrophobicContact CB-CB 4.15Å; E255-K264 PolarHBondContact O-N 2.93Å; K264-P275 HydrophobicContact CG-CB 4.47Å |
| 265 | V | 89.2 | Confident | 85.5 | Confident | 0 Ų | 0 | 79.9 Ų | 79.9 | 0% | 0 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 124.3 | -174.8 | -177.3 | 0 | 0 | 0 | 0 | 109.5 | V239 V252 V253 L263 V267 V276 L278 | V239-V265 HydrophobicContact CG2-CB 4.48Å; V239-V265 HydrophobicContact CG2-CG1 3.67Å; V239-V265 HydrophobicContact CG2-CG2 3.91Å; V252-V265 CarbonylContact O-C 3.57Å; V252-V265 WeakPolarHBondContact O-CA 3.5Å; V253-V265 HydrophobicContact CG2-CG2 4.33Å; L263-V265 HydrophobicContact CB-CG2 3.79Å; V265-V267 HydrophobicContact CG1-CG2 4.05Å; V265-V267 PolarHBondContact O-N 3.36Å; V265-V276 PolarHBondContact N-O 2.89Å; V265-V276 PolarHBondContact O-N 2.92Å; V265-L278 HydrophobicContact CB-CD1 4.07Å; V265-L278 HydrophobicContact CG2-CD1 4.04Å |
| 266 | S | 90.2 | Very high | 85.7 | Confident | 19 Ų | 19 | 74.9 Ų | 74.9 | 13% | 0.133 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 101 | 173.3 | -92.7 | 0 | 0 | 0 | 0 | 110 | G251 V252 E254 | G251-S266 CarbonylContact C-O 3.56Å; G251-S266 WeakPolarHBondContact CA-O 3.41Å; V252-S266 PolarHBondContact N-O 3.01Å; V252-S266 PolarHBondContact O-N 3.24Å; E254-S266 VanDerWaalsContact CD-OG 3.22Å; E254-S266 PolarHBondContact OE1-OG 3.47Å |
| 267 | V | 87.8 | Confident | 85.8 | Confident | 0 Ų | 0 | 79.8 Ų | 79.8 | 0% | 0 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 135.6 | -178.6 | -175.7 | 0 | 0 | 0 | 0 | 109.8 | V241 F249 V265 I269 T274 V276 | V241-V267 HydrophobicContact CG2-CG2 4.39Å; F249-V267 HydrophobicContact CB-CG1 3.38Å; F249-V267 HydrophobicContact CD1-CG1 4.04Å; F249-V267 HydrophobicContact CG-CG1 3.92Å; V265-V267 HydrophobicContact CG1-CG2 4.05Å; V265-V267 PolarHBondContact O-N 3.36Å; V267-I269 HydrophobicContact CB-CG1 4.44Å; V267-I269 HydrophobicContact CG1-CD1 4.35Å; V267-I269 HydrophobicContact CG1-CG1 3.9Å; V267-I269 PolarHBondContact O-N 2.73Å; V267-T274 PolarHBondContact N-O 2.97Å; V267-T274 PolarHBondContact O-N 3.01Å; V267-V276 HydrophobicContact CG2-CB 4.41Å; V267-V276 HydrophobicContact CG2-CG2 4.21Å |
| 268 | S | 84 | Confident | 85.9 | Confident | 74 Ų | 74 | 77.7 Ų | 77.7 | 52% | 0.517 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 107.2 | 177 | -171.4 | 0 | 0 | 0 | 0 | 110.8 | ||
| 269 | I | 82.6 | Confident | 86 | Confident | 26 Ų | 26 | 75.8 Ų | 75.8 | 13% | 0.133 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 122.5 | 179 | -48.9 | 178.8 | 0 | 0 | 0 | 108 | F246 F249 V267 G271 R272 | F246-I269 HydrophobicContact CD1-CD1 3.54Å; F246-I269 HydrophobicContact CE1-CD1 3.45Å; F246-I269 VanDerWaalsContact CE1-CD1 3.45Å; F249-I269 HydrophobicContact CD1-CG1 4.31Å; F249-I269 HydrophobicContact CE1-CG1 4.23Å; F249-I269 HydrophobicContact CE1-CG2 4.44Å; V267-I269 HydrophobicContact CB-CG1 4.44Å; V267-I269 HydrophobicContact CG1-CD1 4.35Å; V267-I269 HydrophobicContact CG1-CG1 3.9Å; V267-I269 PolarHBondContact O-N 2.73Å; I269-G271 PolarHBondContact O-N 3.41Å; I269-G271 VanDerWaalsContact O-N 3.17Å; I269-R272 PolarHBondContact N-O 3.35Å; I269-R272 PolarHBondContact O-N 2.97Å |
| 270 | F | 81.2 | Confident | 86.2 | Confident | 210 Ų | 210 | 68 Ų | 68 | 92% | 0.921 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 36.1 | -176.7 | -56.9 | -66.8 | 0 | 0 | 0 | 114.3 | R272 | F270-R272 VanDerWaalsContact C-N 3.28Å; F270-R272 PolarHBondContact O-N 3.02Å |
| 271 | G | 78.2 | Confident | 85.9 | Confident | 73 Ų | 73 | 66.3 Ų | 66.3 | 75% | 0.753 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | 7.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | I269 | I269-G271 PolarHBondContact O-N 3.41Å; I269-G271 VanDerWaalsContact O-N 3.17Å |
| 272 | R | 86.5 | Confident | 85.8 | Confident | 195 Ų | 195 | 65.8 Ų | 65.8 | 74% | 0.736 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 135.1 | 173.8 | -65.5 | -178.3 | 177.7 | 165.7 | -0.1 | 110.4 | I269 F270 T274 | I269-R272 PolarHBondContact N-O 3.35Å; I269-R272 PolarHBondContact O-N 2.97Å; F270-R272 VanDerWaalsContact C-N 3.28Å; F270-R272 PolarHBondContact O-N 3.02Å; R272-T274 PolarHBondContact O-N 2.75Å |
| 273 | A | 87.4 | Confident | 85.1 | Confident | 79 Ų | 79 | 61.3 Ų | 61.3 | 65% | 0.653 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 116.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 274 | T | 88.4 | Confident | 84.1 | Confident | 59 Ų | 59 | 62.8 Ų | 62.8 | 36% | 0.362 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 116.7 | 176.9 | -48.1 | 0 | 0 | 0 | 0 | 108 | V267 R272 V276 | V267-T274 PolarHBondContact N-O 2.97Å; V267-T274 PolarHBondContact O-N 3.01Å; R272-T274 PolarHBondContact O-N 2.75Å; T274-V276 PolarHBondContact O-N 3.3Å |
| 275 | P | 90.7 | Very high | 82.4 | Confident | 74 Ų | 74 | 61 Ų | 61 | 48% | 0.481 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 127.3 | 177.4 | 28.6 | -32.7 | 0 | 0 | 0 | 109.9 | K264 | K264-P275 HydrophobicContact CG-CB 4.47Å |
| 276 | V | 90.9 | Very high | 80.7 | Confident | 18 Ų | 18 | 63.5 Ų | 63.5 | 11% | 0.109 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 133.8 | 178.7 | -177.1 | 0 | 0 | 0 | 0 | 108.7 | F246 V265 V267 T274 L278 | F246-V276 HydrophobicContact CD2-CG1 3.7Å; F246-V276 HydrophobicContact CD2-CG2 4.17Å; F246-V276 HydrophobicContact CE2-CB 4.48Å; F246-V276 HydrophobicContact CE2-CG1 3.64Å; F246-V276 HydrophobicContact CE2-CG2 3.92Å; F246-V276 HydrophobicContact CZ-CG2 4.12Å; V265-V276 PolarHBondContact N-O 2.89Å; V265-V276 PolarHBondContact O-N 2.92Å; V267-V276 HydrophobicContact CG2-CB 4.41Å; V267-V276 HydrophobicContact CG2-CG2 4.21Å; T274-V276 PolarHBondContact O-N 3.3Å; V276-L278 HydrophobicContact CG1-CD2 3.8Å; V276-L278 HydrophobicContact CG1-CG 4.03Å |
| 277 | E | 90.5 | Very high | 79.1 | Confident | 126 Ų | 126 | 66.7 Ų | 66.7 | 59% | 0.589 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 123.2 | 169.4 | -68.2 | -175.5 | -171.5 | 0 | 0 | 110 | R262 L263 | R262-E277 IonicContact NH1-OE2 2.97Å; R262-E277 PolarHBondContact NH1-OE2 3.2Å; L263-E277 CarbonylContact O-C 3.59Å; L263-E277 WeakPolarHBondContact O-CA 3.49Å |
| 278 | L | 87.8 | Confident | 77.4 | Confident | 7 Ų | 7 | 68.6 Ų | 68.6 | 4% | 0.037 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 143.3 | -179.8 | -62.4 | 172.4 | 0 | 0 | 0 | 110.3 | V241 R262 L263 V265 V276 V283 | V241-L278 HydrophobicContact CB-CD1 4.27Å; V241-L278 HydrophobicContact CG1-CD1 3.96Å; V241-L278 HydrophobicContact CG1-CD2 4.17Å; V241-L278 HydrophobicContact CG2-CD1 3.37Å; R262-L278 CarbonylContact C-O 3.53Å; R262-L278 WeakPolarHBondContact CA-O 3.17Å; L263-L278 PolarHBondContact N-O 2.7Å; L263-L278 PolarHBondContact O-N 3.32Å; V265-L278 HydrophobicContact CB-CD1 4.07Å; V265-L278 HydrophobicContact CG2-CD1 4.04Å; V276-L278 HydrophobicContact CG1-CD2 3.8Å; V276-L278 HydrophobicContact CG1-CG 4.03Å; L278-V283 HydrophobicContact CB-CG2 3.77Å; L278-V283 HydrophobicContact CD1-CG2 3.86Å; L278-V283 HydrophobicContact CG-CG2 4.47Å |
| 279 | D | 84.8 | Confident | 76.2 | Confident | 57 Ų | 57 | 67.5 Ų | 67.5 | 31% | 0.305 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 152.3 | 172.6 | -64.9 | -44.8 | 0 | 0 | 0 | 110.2 | R262 S281 Q282 | R262-D279 IonicContact NE-OD1 3.5Å; D279-S281 PolarHBondContact O-N 3.47Å; D279-Q282 HydrophobicContact CB-CG 4.37Å; D279-Q282 PolarHBondContact O-N 2.88Å |
| 280 | F | 80.5 | Confident | 75 | Confident | 23 Ų | 23 | 69.4 Ų | 69.4 | 10% | 0.101 | 41% | 0.414 | C | S | . | . | G | 310 helix | trans | -54.8 | -28.6 | -178.6 | -76.6 | 20.8 | 0 | 0 | 0 | 113.3 | P229 F233 V256 Y258 S261 L263 | P229-F280 HydrophobicContact CB-CD2 4.2Å; P229-F280 HydrophobicContact CB-CE2 4.11Å; P229-F280 HydrophobicContact CG-CE2 4.38Å; F233-F280 HydrophobicContact CD2-CD1 4.2Å; F233-F280 AromaticContact CD2-CD2 3.96Å; F233-F280 HydrophobicContact CD2-CD2 3.96Å; F233-F280 HydrophobicContact CD2-CE1 4.26Å; F233-F280 HydrophobicContact CD2-CE2 4.02Å; F233-F280 HydrophobicContact CD2-CG 4.06Å; F233-F280 HydrophobicContact CD2-CZ 4.18Å; F233-F280 HydrophobicContact CE2-CB 3.94Å; F233-F280 HydrophobicContact CE2-CD1 4.15Å; F233-F280 AromaticContact CE2-CD2 3.81Å; F233-F280 HydrophobicContact CE2-CD2 3.81Å; F233-F280 HydrophobicContact CE2-CE2 4.36Å; F233-F280 AromaticContact CE2-CG 3.7Å; F233-F280 HydrophobicContact CE2-CG 3.7Å; V256-F280 HydrophobicContact CG1-CE1 4.05Å; V256-F280 HydrophobicContact CG1-CZ 3.67Å; Y258-F280 AromaticContact CD1-CE2 3.9Å; Y258-F280 HydrophobicContact CD1-CE2 3.9Å; Y258-F280 AromaticContact CD1-CZ 3.84Å; Y258-F280 HydrophobicContact CD1-CZ 3.84Å; Y258-F280 HydrophobicContact CE1-CE2 4.07Å; Y258-F280 HydrophobicContact CE1-CZ 4.07Å; S261-F280 VanDerWaalsContact C-CE1 3.46Å; S261-F280 WeakPolarHBondContact O-CD1 3.44Å; S261-F280 PolarHBondContact O-N 3.39Å; L263-F280 HydrophobicContact CD1-CD1 4.05Å; L263-F280 HydrophobicContact CD1-CE1 4.45Å; L263-F280 HydrophobicContact CD2-CD1 4.11Å; L263-F280 HydrophobicContact CD2-CE1 3.66Å; L263-F280 HydrophobicContact CD2-CZ 4.37Å; L263-F280 HydrophobicContact CG-CD1 3.63Å; L263-F280 HydrophobicContact CG-CE1 3.65Å |
| 281 | S | 76.5 | Confident | 74 | Confident | 110 Ų | 110 | 61.9 Ų | 61.9 | 77% | 0.769 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -75.8 | -19.7 | 179 | 53.4 | 0 | 0 | 0 | 0 | 114.6 | D279 V283 | D279-S281 PolarHBondContact O-N 3.47Å; S281-V283 VanDerWaalsContact C-N 3.3Å |
| 282 | Q | 78.8 | Confident | 72.9 | Confident | 44 Ų | 44 | 63.5 Ų | 63.5 | 21% | 0.206 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -85.3 | -6.9 | -176.8 | -64.7 | 178.2 | -26.4 | 0 | 0 | 112.6 | N242 D243 D279 | N242-Q282 PolarHBondContact N-O 3.38Å; D243-Q282 HydrophobicContact CB-CB 4.32Å; D243-Q282 HydrophobicContact CB-CG 4.21Å; D279-Q282 HydrophobicContact CB-CG 4.37Å; D279-Q282 PolarHBondContact O-N 2.88Å |
| 283 | V | 72.5 | Confident | 71.7 | Confident | 14 Ų | 14 | 59.3 Ų | 59.3 | 9% | 0.085 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 131.3 | -166.7 | -174.8 | 0 | 0 | 0 | 0 | 110.3 | F233 V239 R240 L263 L278 S281 | F233-V283 HydrophobicContact CE1-CG1 4.48Å; V239-V283 HydrophobicContact CB-CG1 3.27Å; V239-V283 HydrophobicContact CG1-CG1 3.81Å; V239-V283 HydrophobicContact CG2-CG1 3.54Å; R240-V283 CarbonylContact O-C 3.57Å; R240-V283 WeakPolarHBondContact O-CA 3.39Å; L263-V283 HydrophobicContact CD1-CB 4.14Å; L263-V283 HydrophobicContact CD1-CG1 4.28Å; L263-V283 HydrophobicContact CD1-CG2 3.98Å; L278-V283 HydrophobicContact CB-CG2 3.77Å; L278-V283 HydrophobicContact CD1-CG2 3.86Å; L278-V283 HydrophobicContact CG-CG2 4.47Å; S281-V283 VanDerWaalsContact C-N 3.3Å |
| 284 | A | 65.6 | Low | 70.8 | Confident | 31 Ų | 31 | 57.8 Ų | 57.8 | 26% | 0.256 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 136.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | R240 N242 G286 | R240-A284 PolarHBondContact N-O 3.37Å; R240-A284 PolarHBondContact O-N 2.95Å; N242-A284 WeakPolarHBondContact ND2-CB 3.36Å; A284-G286 PolarHBondContact O-N 2.98Å |
| 285 | A | 56.5 | Low | 70 | Confident | 43 Ų | 43 | 55.3 Ų | 55.3 | 36% | 0.355 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 115.3 | 174 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 286 | G | 52.9 | Low | 69.3 | Low | 52 Ų | 52 | 54.6 Ų | 54.6 | 54% | 0.536 | 35% | 0.348 | S | S | . | . | trans | -107.8 | 21 | -162.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | A284 | A284-G286 PolarHBondContact O-N 2.98Š| ||
| 287 | M | 57.6 | Low | 68.6 | Low | 86 Ų | 86 | 56.4 Ų | 56.4 | 42% | 0.424 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -127.9 | 170.2 | 178.2 | -68.1 | -168.1 | -65.3 | 0 | 0 | 111.7 | M238 N289 | M238-M287 HydrophobicContact CB-CE 3.55Å; M238-M287 HydrophobicContact CB-CG 3.97Å; M238-M287 HydrophobicContact CB-SD 3.61Å; M238-M287 HydrophobicContact CG-CE 3.93Å; M238-M287 HydrophobicContact CG-SD 3.76Å; M287-N289 WeakPolarHBondContact O-CB 3.31Å; M287-N289 PolarHBondContact O-N 3.35Å |
| 288 | A | 52 | Low | 68.1 | Low | 40 Ų | 40 | 51 Ų | 51 | 33% | 0.331 | 34% | 0.34 | S | S | . | . | trans | -55.7 | 87.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | C309 F312 | A288-C309 WeakPolarHBondContact O-CB 3.46Å; A288-C309 PolarHBondContact O-SG 2.9Å; A288-F312 HydrophobicContact CB-CD1 4.42Å | ||
| 289 | N | 59 | Low | 67.7 | Low | 51 Ų | 51 | 52.6 Ų | 52.6 | 27% | 0.273 | 36% | 0.358 | S | S | . | . | trans | -97.5 | 160.4 | -179.9 | 56.6 | 17.8 | 0 | 0 | 0 | 107.4 | M287 S291 | M287-N289 WeakPolarHBondContact O-CB 3.31Å; M287-N289 PolarHBondContact O-N 3.35Å; N289-S291 PolarHBondContact ND2-OG 3.11Å; N289-S291 PolarHBondContact O-N 2.7Å; N289-S291 WeakPolarHBondContact OD1-CB 3.41Å; N289-S291 PolarHBondContact OD1-OG 3.37Å | ||
| 290 | P | 57.4 | Low | 67.6 | Low | 65 Ų | 65 | 57.3 Ų | 57.3 | 42% | 0.422 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -62.9 | 16.7 | 177.8 | 25.2 | -35.6 | 0 | 0 | 0 | 114.3 | G295 I305 | P290-G295 VanDerWaalsContact O-CA 3.28Å; P290-G295 WeakPolarHBondContact O-CA 3.29Å; P290-I305 HydrophobicContact CB-CG2 3.68Å |
| 291 | S | 59.4 | Low | 67.6 | Low | 53 Ų | 53 | 62 Ų | 62 | 37% | 0.371 | 40% | 0.4 | S | S | . | . | trans | -63 | 151.6 | 176.9 | -59.2 | 0 | 0 | 0 | 0 | 111.6 | N289 V294 G295 | N289-S291 PolarHBondContact ND2-OG 3.11Å; N289-S291 PolarHBondContact O-N 2.7Å; N289-S291 WeakPolarHBondContact OD1-CB 3.41Å; N289-S291 PolarHBondContact OD1-OG 3.37Å; S291-V294 PolarHBondContact O-N 3.15Å; S291-V294 VanDerWaalsContact O-N 3.08Å; S291-G295 PolarHBondContact O-N 2.89Å; S291-G295 VanDerWaalsContact O-N 3.16Å | ||
| 292 | P | 54.5 | Low | 67.7 | Low | 106 Ų | 106 | 58.6 Ų | 58.6 | 69% | 0.688 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 125.3 | 167.2 | -19.1 | 31.7 | 0 | 0 | 0 | 108.8 | P296 | P292-P296 HydrophobicContact CB-CG 3.99Å; P292-P296 HydrophobicContact CG-CG 4.27Å |
| 293 | P | 62 | Low | 67.7 | Low | 107 Ų | 107 | 56.9 Ų | 56.9 | 70% | 0.695 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -98.9 | -13.5 | 26.5 | 35.6 | -35.8 | 0 | 0 | 0 | 117 | A297 | P293-A297 VanDerWaalsContact O-CB 3.31Å; P293-A297 WeakPolarHBondContact O-CB 3.33Å; P293-A297 PolarHBondContact O-N 3.14Å |
| 294 | V | 69.3 | Low | 68.2 | Low | 47 Ų | 47 | 60.5 Ų | 60.5 | 29% | 0.285 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -71.6 | -43.2 | -174.8 | 178.9 | 0 | 0 | 0 | 0 | 110.9 | S291 A297 L298 F308 | S291-V294 PolarHBondContact O-N 3.15Å; S291-V294 VanDerWaalsContact O-N 3.08Å; V294-A297 PolarHBondContact O-N 3.04Å; V294-L298 HydrophobicContact CG1-CD1 3.56Å; V294-L298 HydrophobicContact CG1-CG 4.17Å; V294-L298 WeakPolarHBondContact O-CB 3.36Å; V294-L298 WeakPolarHBondContact O-CG 3.3Å; V294-L298 PolarHBondContact O-N 2.97Å; V294-F308 HydrophobicContact CG1-CD1 4.42Å; V294-F308 HydrophobicContact CG1-CE1 4.28Å |
| 295 | G | 70.5 | Confident | 68.9 | Low | 8 Ų | 8 | 61 Ų | 61 | 8% | 0.082 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -57.5 | -56.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | P290 S291 A297 G299 | P290-G295 VanDerWaalsContact O-CA 3.28Å; P290-G295 WeakPolarHBondContact O-CA 3.29Å; S291-G295 PolarHBondContact O-N 2.89Å; S291-G295 VanDerWaalsContact O-N 3.16Å; G295-A297 PolarHBondContact O-N 2.66Å; G295-G299 WeakPolarHBondContact O-CA 3.36Å; G295-G299 PolarHBondContact O-N 3.46Å |
| 296 | P | 76.6 | Confident | 69.9 | Low | 59 Ų | 59 | 64.8 Ų | 64.8 | 38% | 0.383 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.6 | -40.1 | 177.5 | -25 | 35.4 | 0 | 0 | 0 | 113.5 | P292 Q300 | P292-P296 HydrophobicContact CB-CG 3.99Å; P292-P296 HydrophobicContact CG-CG 4.27Å; P296-Q300 WeakPolarHBondContact O-CB 3.38Å; P296-Q300 WeakPolarHBondContact O-CG 3.36Å; P296-Q300 PolarHBondContact O-N 3.11Å |
| 297 | A | 75.9 | Confident | 71.3 | Confident | 56 Ų | 56 | 67.6 Ų | 67.6 | 46% | 0.463 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.9 | -44.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | P293 V294 G295 | P293-A297 VanDerWaalsContact O-CB 3.31Å; P293-A297 WeakPolarHBondContact O-CB 3.33Å; P293-A297 PolarHBondContact O-N 3.14Å; V294-A297 PolarHBondContact O-N 3.04Å; G295-A297 PolarHBondContact O-N 2.66Å |
| 298 | L | 79.5 | Confident | 72.5 | Confident | 13 Ų | 13 | 64.1 Ų | 64.1 | 7% | 0.068 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -78.6 | -37.2 | 177.9 | -63.8 | -178 | 0 | 0 | 0 | 112.3 | V294 Q300 Q301 G302 V303 I305 F308 I329 | V294-L298 HydrophobicContact CG1-CD1 3.56Å; V294-L298 HydrophobicContact CG1-CG 4.17Å; V294-L298 WeakPolarHBondContact O-CB 3.36Å; V294-L298 WeakPolarHBondContact O-CG 3.3Å; V294-L298 PolarHBondContact O-N 2.97Å; L298-Q300 VanDerWaalsContact C-N 3.35Å; L298-Q300 PolarHBondContact O-N 3.26Å; L298-Q301 PolarHBondContact O-N 3.09Å; L298-Q301 VanDerWaalsContact O-N 3.13Å; L298-G302 PolarHBondContact O-N 3.41Å; L298-V303 HydrophobicContact CB-CB 4.35Å; L298-V303 PolarHBondContact O-N 3.48Å; L298-I305 HydrophobicContact CB-CG1 4.05Å; L298-I305 HydrophobicContact CD1-CG2 4.43Å; L298-F308 HydrophobicContact CD1-CB 4Å; L298-F308 HydrophobicContact CD1-CD1 3.28Å; L298-F308 HydrophobicContact CD1-CD2 4.41Å; L298-F308 HydrophobicContact CD1-CE1 3.82Å; L298-F308 HydrophobicContact CD1-CG 3.62Å; L298-I329 HydrophobicContact CD2-CD1 3.48Å; L298-I329 VanDerWaalsContact CD2-CD1 3.48Å |
| 299 | G | 79.5 | Confident | 73.7 | Confident | 40 Ų | 40 | 62.5 Ų | 62.5 | 41% | 0.412 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.6 | -37.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G295 Q301 G302 | G295-G299 WeakPolarHBondContact O-CA 3.36Å; G295-G299 PolarHBondContact O-N 3.46Å; G299-Q301 PolarHBondContact O-N 2.93Å; G299-G302 PolarHBondContact O-N 3.42Å |
| 300 | Q | 83.3 | Confident | 74.7 | Confident | 156 Ų | 156 | 68 Ų | 68 | 73% | 0.729 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -26.6 | 174.4 | -78.4 | 175.3 | 12.6 | 0 | 0 | 113.2 | P296 L298 | P296-Q300 WeakPolarHBondContact O-CB 3.38Å; P296-Q300 WeakPolarHBondContact O-CG 3.36Å; P296-Q300 PolarHBondContact O-N 3.11Å; L298-Q300 VanDerWaalsContact C-N 3.35Å; L298-Q300 PolarHBondContact O-N 3.26Å |
| 301 | Q | 80.5 | Confident | 75.9 | Confident | 121 Ų | 121 | 66.5 Ų | 66.5 | 57% | 0.565 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -0 | 177.4 | -59.2 | -59.4 | -34.8 | 0 | 0 | 113 | L298 G299 V303 V331 | L298-Q301 PolarHBondContact O-N 3.09Å; L298-Q301 VanDerWaalsContact O-N 3.13Å; G299-Q301 PolarHBondContact O-N 2.93Å; Q301-V303 VanDerWaalsContact C-N 3.29Å; Q301-V303 HydrophobicContact CB-CG2 4.1Å; Q301-V303 PolarHBondContact O-N 3.01Å; Q301-V331 HydrophobicContact CB-CG1 4.45Å; Q301-V331 HydrophobicContact CB-CG2 4.19Å |
| 302 | G | 78.4 | Confident | 77 | Confident | 39 Ų | 39 | 65.6 Ų | 65.6 | 40% | 0.402 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 18.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L298 G299 | L298-G302 PolarHBondContact O-N 3.41Å; G299-G302 PolarHBondContact O-N 3.42Å |
| 303 | V | 79.7 | Confident | 78 | Confident | 8 Ų | 8 | 63 Ų | 63 | 5% | 0.048 | 36% | 0.356 | C | S | . | . | trans | -78.3 | 143.3 | 179.3 | 177.5 | 0 | 0 | 0 | 0 | 110.6 | L298 Q301 I305 V331 F337 | L298-V303 HydrophobicContact CB-CB 4.35Å; L298-V303 PolarHBondContact O-N 3.48Å; Q301-V303 VanDerWaalsContact C-N 3.29Å; Q301-V303 HydrophobicContact CB-CG2 4.1Å; Q301-V303 PolarHBondContact O-N 3.01Å; V303-I305 PolarHBondContact O-N 3.09Å; V303-V331 HydrophobicContact CG2-CB 4.25Å; V303-V331 HydrophobicContact CG2-CG1 3.72Å; V303-V331 HydrophobicContact CG2-CG2 3.47Å; V303-V331 VanDerWaalsContact CG2-CG2 3.47Å; V303-F337 HydrophobicContact CG1-CB 4.03Å; V303-F337 HydrophobicContact CG1-CD1 3.45Å; V303-F337 VanDerWaalsContact CG1-CD1 3.45Å; V303-F337 HydrophobicContact CG1-CD2 4.34Å; V303-F337 HydrophobicContact CG1-CE1 3.96Å; V303-F337 HydrophobicContact CG1-CG 3.66Å; V303-F337 HydrophobicContact CG2-CB 4.34Å | ||
| 304 | N | 81.1 | Confident | 79 | Confident | 89 Ų | 89 | 61.6 Ų | 61.6 | 48% | 0.476 | 35% | 0.353 | S | S | . | . | trans | -68.8 | 98 | 172.1 | -172.7 | -11.6 | 0 | 0 | 0 | 110.8 | M306 E307 F308 | N304-M306 PolarHBondContact O-N 3.35Å; N304-M306 PolarHBondContact OD1-N 3.05Å; N304-E307 HydrophobicContact CB-CB 4.01Å; N304-E307 PolarHBondContact O-N 2.9Å; N304-E307 PolarHBondContact OD1-N 2.97Å; N304-F308 PolarHBondContact O-N 3.1Å; N304-F308 VanDerWaalsContact O-N 3.07Å | ||
| 305 | I | 80.5 | Confident | 79.4 | Confident | 41 Ų | 41 | 64.3 Ų | 64.3 | 21% | 0.21 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -58.2 | -39.4 | -174.5 | -53 | 165.6 | 0 | 0 | 0 | 111.2 | P290 L298 V303 F308 C309 | P290-I305 HydrophobicContact CB-CG2 3.68Å; L298-I305 HydrophobicContact CB-CG1 4.05Å; L298-I305 HydrophobicContact CD1-CG2 4.43Å; V303-I305 PolarHBondContact O-N 3.09Å; I305-F308 PolarHBondContact O-N 3.34Å; I305-C309 WeakPolarHBondContact O-CB 3.34Å; I305-C309 PolarHBondContact O-N 3.37Å; I305-C309 PolarHBondContact O-SG 2.97Å |
| 306 | M | 78.2 | Confident | 79.7 | Confident | 123 Ų | 123 | 64.8 Ų | 64.8 | 61% | 0.606 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -67.2 | -42.2 | -177.2 | -166.5 | 111.5 | -73.2 | 0 | 0 | 111.6 | N304 C309 K310 | N304-M306 PolarHBondContact O-N 3.35Å; N304-M306 PolarHBondContact OD1-N 3.05Å; M306-C309 PolarHBondContact O-N 2.92Å; M306-K310 WeakPolarHBondContact O-CB 3.43Å; M306-K310 PolarHBondContact O-N 2.97Å |
| 307 | E | 81.5 | Confident | 79.5 | Confident | 111 Ų | 111 | 67 Ų | 67 | 52% | 0.519 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.6 | -42.5 | 177.3 | -170.2 | 178.3 | -178.7 | 0 | 0 | 111.2 | N304 K310 A311 F337 | N304-E307 HydrophobicContact CB-CB 4.01Å; N304-E307 PolarHBondContact O-N 2.9Å; N304-E307 PolarHBondContact OD1-N 2.97Å; E307-K310 PolarHBondContact O-N 3.32Å; E307-A311 WeakPolarHBondContact O-CB 3.25Å; E307-A311 PolarHBondContact O-N 3.09Å; E307-F337 HydrophobicContact CB-CE1 4.13Å; E307-F337 HydrophobicContact CB-CZ 4.1Å; E307-F337 HydrophobicContact CG-CE1 4.07Å; E307-F337 HydrophobicContact CG-CZ 3.93Å |
| 308 | F | 83.3 | Confident | 79.3 | Confident | 13 Ų | 13 | 69.7 Ų | 69.7 | 6% | 0.057 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -59.8 | -50.5 | 173.9 | 173.6 | -94.5 | 0 | 0 | 0 | 111.5 | V294 L298 N304 I305 K310 A311 F312 V327 I329 F337 F339 | V294-F308 HydrophobicContact CG1-CD1 4.42Å; V294-F308 HydrophobicContact CG1-CE1 4.28Å; L298-F308 HydrophobicContact CD1-CB 4Å; L298-F308 HydrophobicContact CD1-CD1 3.28Å; L298-F308 HydrophobicContact CD1-CD2 4.41Å; L298-F308 HydrophobicContact CD1-CE1 3.82Å; L298-F308 HydrophobicContact CD1-CG 3.62Å; N304-F308 PolarHBondContact O-N 3.1Å; N304-F308 VanDerWaalsContact O-N 3.07Å; I305-F308 PolarHBondContact O-N 3.34Å; F308-K310 VanDerWaalsContact C-N 3.31Å; F308-K310 PolarHBondContact O-N 3.06Å; F308-A311 PolarHBondContact O-N 3.49Å; F308-F312 HydrophobicContact CE1-CB 4.25Å; F308-F312 HydrophobicContact CE1-CG 4.46Å; F308-F312 HydrophobicContact CZ-CB 4.21Å; F308-F312 HydrophobicContact CZ-CD2 4.34Å; F308-F312 HydrophobicContact CZ-CG 4.32Å; F308-F312 WeakPolarHBondContact O-CB 3.4Å; F308-F312 PolarHBondContact O-N 3.16Å; F308-V327 HydrophobicContact CE2-CG1 4.12Å; F308-V327 HydrophobicContact CZ-CG1 4.22Å; F308-I329 HydrophobicContact CD2-CD1 3.99Å; F308-I329 HydrophobicContact CE1-CD1 4.45Å; F308-I329 HydrophobicContact CE2-CD1 3.33Å; F308-I329 HydrophobicContact CE2-CG1 3.82Å; F308-I329 HydrophobicContact CZ-CD1 3.6Å; F308-I329 HydrophobicContact CZ-CG1 4.39Å; F308-F337 HydrophobicContact CB-CE2 3.83Å; F308-F337 HydrophobicContact CB-CZ 3.85Å; F308-F337 HydrophobicContact CD2-CD2 4.16Å; F308-F337 AromaticContact CD2-CE2 3.81Å; F308-F337 HydrophobicContact CD2-CE2 3.81Å; F308-F337 HydrophobicContact CG-CE2 4.33Å; F308-F339 HydrophobicContact CD2-CD1 4.49Å; F308-F339 HydrophobicContact CD2-CG 4.47Å; F308-F339 HydrophobicContact CE2-CB 4.14Å; F308-F339 HydrophobicContact CE2-CD2 4.39Å; F308-F339 HydrophobicContact CE2-CG 4.13Å |
| 309 | C | 77.6 | Confident | 78.9 | Confident | 6 Ų | 6 | 71.5 Ų | 71.5 | 4% | 0.041 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -56.7 | -44.6 | 179.3 | -74.9 | 0 | 0 | 0 | 0 | 111.7 | A288 I305 M306 N313 | A288-C309 WeakPolarHBondContact O-CB 3.46Å; A288-C309 PolarHBondContact O-SG 2.9Å; I305-C309 WeakPolarHBondContact O-CB 3.34Å; I305-C309 PolarHBondContact O-N 3.37Å; I305-C309 PolarHBondContact O-SG 2.97Å; M306-C309 PolarHBondContact O-N 2.92Å; C309-N313 WeakPolarHBondContact O-CB 3.49Å; C309-N313 PolarHBondContact O-N 3.44Å; C309-N313 PolarHBondContact O-ND2 3.32Å |
| 310 | K | 80 | Confident | 78.3 | Confident | 167 Ų | 167 | 74.9 Ų | 74.9 | 73% | 0.726 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -65 | -48.1 | 178.5 | -172 | 176.1 | -177.8 | 176.7 | 0 | 112.1 | M306 E307 F308 N313 A314 | M306-K310 WeakPolarHBondContact O-CB 3.43Å; M306-K310 PolarHBondContact O-N 2.97Å; E307-K310 PolarHBondContact O-N 3.32Å; F308-K310 VanDerWaalsContact C-N 3.31Å; F308-K310 PolarHBondContact O-N 3.06Å; K310-N313 PolarHBondContact O-N 2.69Å; K310-A314 WeakPolarHBondContact O-CB 3.38Å; K310-A314 PolarHBondContact O-N 3.31Å |
| 311 | A | 82.6 | Confident | 77.5 | Confident | 33 Ų | 33 | 75.4 Ų | 75.4 | 27% | 0.273 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -67.5 | -38.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | E307 F308 A314 K315 F339 | E307-A311 WeakPolarHBondContact O-CB 3.25Å; E307-A311 PolarHBondContact O-N 3.09Å; F308-A311 PolarHBondContact O-N 3.49Å; A311-A314 PolarHBondContact O-N 2.86Å; A311-K315 PolarHBondContact O-N 3.19Å; A311-F339 HydrophobicContact CB-CE1 3.53Å; A311-F339 HydrophobicContact CB-CZ 3.73Å; A311-F339 WeakPolarHBondContact O-CZ 3.25Å |
| 312 | F | 82.1 | Confident | 76.8 | Confident | 34 Ų | 34 | 73.4 Ų | 73.4 | 15% | 0.149 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -63.8 | -48.3 | 176.4 | 177.4 | -103.2 | 0 | 0 | 0 | 111.4 | A288 F308 A314 K315 T316 I325 V327 F339 T341 | A288-F312 HydrophobicContact CB-CD1 4.42Å; F308-F312 HydrophobicContact CE1-CB 4.25Å; F308-F312 HydrophobicContact CE1-CG 4.46Å; F308-F312 HydrophobicContact CZ-CB 4.21Å; F308-F312 HydrophobicContact CZ-CD2 4.34Å; F308-F312 HydrophobicContact CZ-CG 4.32Å; F308-F312 WeakPolarHBondContact O-CB 3.4Å; F308-F312 PolarHBondContact O-N 3.16Å; F312-A314 VanDerWaalsContact C-N 3.32Å; F312-A314 PolarHBondContact O-N 2.91Å; F312-K315 PolarHBondContact O-N 2.95Å; F312-T316 HydrophobicContact CD2-CG2 4.06Å; F312-T316 HydrophobicContact CE1-CG2 4.3Å; F312-T316 HydrophobicContact CE2-CG2 3.61Å; F312-T316 HydrophobicContact CZ-CG2 3.77Å; F312-T316 WeakPolarHBondContact O-CB 3.4Å; F312-T316 WeakPolarHBondContact O-CG2 3.33Å; F312-T316 PolarHBondContact O-N 3.42Å; F312-T316 PolarHBondContact O-OG1 3.4Å; F312-I325 HydrophobicContact CE2-CG2 4.3Å; F312-I325 HydrophobicContact CZ-CB 4.36Å; F312-V327 HydrophobicContact CD2-CG2 3.68Å; F312-V327 HydrophobicContact CE2-CG2 3.2Å; F312-V327 HydrophobicContact CZ-CG2 4.11Å; F312-F339 HydrophobicContact CB-CE2 4.45Å; F312-F339 HydrophobicContact CD2-CE2 4.4Å; F312-T341 HydrophobicContact CD2-CG2 4.17Å; F312-T341 HydrophobicContact CE2-CG2 4.13Å |
| 313 | N | 77.2 | Confident | 76.4 | Confident | 53 Ų | 53 | 73.1 Ų | 73.1 | 28% | 0.283 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.4 | -40.9 | 177.5 | -68.2 | -16.3 | 0 | 0 | 0 | 111.4 | C309 K310 T316 D317 | C309-N313 WeakPolarHBondContact O-CB 3.49Å; C309-N313 PolarHBondContact O-N 3.44Å; C309-N313 PolarHBondContact O-ND2 3.32Å; K310-N313 PolarHBondContact O-N 2.69Å; N313-T316 PolarHBondContact O-N 3.13Å; N313-T316 PolarHBondContact O-OG1 3.29Å; N313-D317 PolarHBondContact O-N 3.27Å; N313-D317 VanDerWaalsContact O-N 3.15Å |
| 314 | A | 81.9 | Confident | 76 | Confident | 76 Ų | 76 | 76.2 Ų | 76.2 | 63% | 0.628 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -64.2 | -40.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | K310 A311 F312 T316 | K310-A314 WeakPolarHBondContact O-CB 3.38Å; K310-A314 PolarHBondContact O-N 3.31Å; A311-A314 PolarHBondContact O-N 2.86Å; F312-A314 VanDerWaalsContact C-N 3.32Å; F312-A314 PolarHBondContact O-N 2.91Å; A314-T316 VanDerWaalsContact C-N 3.32Å |
| 315 | K | 78.6 | Confident | 75.8 | Confident | 105 Ų | 105 | 73.2 Ų | 73.2 | 46% | 0.457 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -72.9 | -23.7 | 177 | -73.8 | -162.8 | -165.7 | 168.9 | 0 | 113.6 | A311 F312 F339 T341 | A311-K315 PolarHBondContact O-N 3.19Å; F312-K315 PolarHBondContact O-N 2.95Å; K315-F339 HydrophobicContact CB-CE2 4.36Å; K315-F339 HydrophobicContact CD-CE2 3.53Å; K315-F339 HydrophobicContact CD-CZ 3.51Å; K315-F339 VanDerWaalsContact CE-CZ 3.41Å; K315-F339 HydrophobicContact CG-CE2 4.19Å; K315-F339 HydrophobicContact CG-CZ 3.97Å; K315-F339 PolarHBondContact NZ-O 3.42Å; K315-T341 HydrophobicContact CB-CG2 4.48Å |
| 316 | T | 75 | Confident | 75.7 | Confident | 17 Ų | 17 | 73.8 Ų | 73.8 | 10% | 0.104 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -100.6 | -1.3 | -174.4 | 53.9 | 0 | 0 | 0 | 0 | 113.9 | F312 N313 A314 S318 I319 I325 T341 | F312-T316 HydrophobicContact CD2-CG2 4.06Å; F312-T316 HydrophobicContact CE1-CG2 4.3Å; F312-T316 HydrophobicContact CE2-CG2 3.61Å; F312-T316 HydrophobicContact CZ-CG2 3.77Å; F312-T316 WeakPolarHBondContact O-CB 3.4Å; F312-T316 WeakPolarHBondContact O-CG2 3.33Å; F312-T316 PolarHBondContact O-N 3.42Å; F312-T316 PolarHBondContact O-OG1 3.4Å; N313-T316 PolarHBondContact O-N 3.13Å; N313-T316 PolarHBondContact O-OG1 3.29Å; A314-T316 VanDerWaalsContact C-N 3.32Å; T316-S318 PolarHBondContact O-N 3.4Å; T316-I319 PolarHBondContact O-N 2.98Å; T316-I319 VanDerWaalsContact O-O 3.13Å; T316-I325 HydrophobicContact CG2-CD1 3.5Å; T316-I325 HydrophobicContact CG2-CG2 4.4Å; T316-T341 HydrophobicContact CG2-CG2 4.16Å |
| 317 | D | 74.4 | Confident | 75.8 | Confident | 105 Ų | 105 | 70 Ų | 70 | 56% | 0.561 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -23.9 | -177.4 | -161.7 | 45.4 | 0 | 0 | 0 | 113.6 | N313 K321 | N313-D317 PolarHBondContact O-N 3.27Å; N313-D317 VanDerWaalsContact O-N 3.15Å; D317-K321 VanDerWaalsContact OD1-CE 3.28Å; D317-K321 WeakPolarHBondContact OD1-CE 3.35Å; D317-K321 IonicContact OD1-NZ 3.61Å; D317-K321 PolarHBondContact OD1-NZ 2.76Å |
| 318 | S | 71.3 | Confident | 75.9 | Confident | 114 Ų | 114 | 68.6 Ų | 68.6 | 80% | 0.797 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -10.7 | 174 | 58.7 | 0 | 0 | 0 | 0 | 114.2 | T316 | T316-S318 PolarHBondContact O-N 3.4Š|
| 319 | I | 70.9 | Confident | 76 | Confident | 50 Ų | 50 | 70.4 Ų | 70.4 | 26% | 0.256 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -98.6 | 142.3 | 177.7 | -58.2 | 168.1 | 0 | 0 | 0 | 107.5 | T316 K321 L323 I325 | T316-I319 PolarHBondContact O-N 2.98Å; T316-I319 VanDerWaalsContact O-O 3.13Å; I319-K321 PolarHBondContact O-N 2.95Å; I319-L323 HydrophobicContact CG2-CD1 4.25Å; I319-I325 HydrophobicContact CB-CD1 4.02Å; I319-I325 HydrophobicContact CD1-CD1 3.73Å; I319-I325 HydrophobicContact CG1-CD1 4.48Å; I319-I325 HydrophobicContact CG2-CD1 3.78Å; I319-I325 HydrophobicContact CG2-CG1 4.38Å |
| 320 | E | 66.4 | Low | 76.4 | Confident | 112 Ų | 112 | 73.4 Ų | 73.4 | 52% | 0.523 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 126.7 | 179 | -70.4 | 178.8 | -173.1 | 0 | 0 | 112.4 | G322 L323 K352 | E320-G322 PolarHBondContact O-N 3.12Å; E320-L323 HydrophobicContact CB-CD1 3.93Å; E320-L323 HydrophobicContact CB-CG 4.43Å; E320-L323 PolarHBondContact O-N 3.04Å; E320-K352 IonicContact OE1-NZ 3.54Å; E320-K352 PolarHBondContact OE1-NZ 3.45Å; E320-K352 VanDerWaalsContact OE2-CE 3.23Å; E320-K352 WeakPolarHBondContact OE2-CE 3.42Å; E320-K352 IonicContact OE2-NZ 3.9Å; E320-K352 PolarHBondContact OE2-NZ 3.45Å |
| 321 | K | 66.9 | Low | 76.7 | Confident | 167 Ų | 167 | 67.9 Ų | 67.9 | 73% | 0.726 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 125.7 | -178.1 | -60.1 | -174.9 | -179.7 | -174.6 | 0 | 109.5 | D317 I319 | D317-K321 VanDerWaalsContact OD1-CE 3.28Å; D317-K321 WeakPolarHBondContact OD1-CE 3.35Å; D317-K321 IonicContact OD1-NZ 3.61Å; D317-K321 PolarHBondContact OD1-NZ 2.76Å; I319-K321 PolarHBondContact O-N 2.95Å |
| 322 | G | 65.2 | Low | 76.9 | Confident | 79 Ų | 79 | 71.7 Ų | 71.7 | 81% | 0.814 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 105.1 | -7.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | E320 | E320-G322 PolarHBondContact O-N 3.12Š|
| 323 | L | 69.3 | Low | 77 | Confident | 33 Ų | 33 | 75.4 Ų | 75.4 | 17% | 0.173 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -72.8 | 129.9 | 168.2 | -71.8 | 170.4 | 0 | 0 | 0 | 110.1 | I319 E320 I325 P344 V348 | I319-L323 HydrophobicContact CG2-CD1 4.25Å; E320-L323 HydrophobicContact CB-CD1 3.93Å; E320-L323 HydrophobicContact CB-CG 4.43Å; E320-L323 PolarHBondContact O-N 3.04Å; L323-I325 PolarHBondContact O-N 3.31Å; L323-I325 VanDerWaalsContact O-N 3.08Å; L323-P344 HydrophobicContact CB-CG 4.35Å; L323-P344 HydrophobicContact CD1-CG 4.41Å; L323-V348 HydrophobicContact CD2-CG1 3.86Å |
| 324 | P | 72.4 | Confident | 77.4 | Confident | 73 Ų | 73 | 78.4 Ų | 78.4 | 47% | 0.474 | 46% | 0.463 | S | S | . | . | trans | -66.9 | 108.1 | 173 | 27.1 | -35.5 | 0 | 0 | 0 | 110.1 | P345 V348 | P324-P345 WeakPolarHBondContact O-CD 3.46Å; P324-V348 HydrophobicContact CG-CB 4.46Å; P324-V348 HydrophobicContact CG-CG1 4.01Å; P324-V348 HydrophobicContact CG-CG2 3.85Å | ||
| 325 | I | 76.4 | Confident | 77.2 | Confident | 26 Ų | 26 | 83.5 Ų | 83.5 | 13% | 0.133 | 47% | 0.466 | C | S | . | . | trans | -97.3 | 114.6 | 178.3 | -65 | 167.3 | 0 | 0 | 0 | 108 | F312 T316 I319 L323 T341 K342 | F312-I325 HydrophobicContact CE2-CG2 4.3Å; F312-I325 HydrophobicContact CZ-CB 4.36Å; T316-I325 HydrophobicContact CG2-CD1 3.5Å; T316-I325 HydrophobicContact CG2-CG2 4.4Å; I319-I325 HydrophobicContact CB-CD1 4.02Å; I319-I325 HydrophobicContact CD1-CD1 3.73Å; I319-I325 HydrophobicContact CG1-CD1 4.48Å; I319-I325 HydrophobicContact CG2-CD1 3.78Å; I319-I325 HydrophobicContact CG2-CG1 4.38Å; L323-I325 PolarHBondContact O-N 3.31Å; L323-I325 VanDerWaalsContact O-N 3.08Å; I325-T341 HydrophobicContact CG2-CG2 4.36Å; I325-K342 WeakPolarHBondContact CG2-O 3.41Å | ||
| 326 | P | 79.1 | Confident | 77.4 | Confident | 53 Ų | 53 | 80.8 Ų | 80.8 | 34% | 0.344 | 46% | 0.461 | S | S | . | . | trans | -66.6 | 138.7 | 172.1 | 6.8 | 1.4 | 0 | 0 | 0 | 110 | K342 | P326-K342 HydrophobicContact CB-CB 4.1Å; P326-K342 HydrophobicContact CG-CB 3.88Å; P326-K342 WeakPolarHBondContact O-CB 3.33Å; P326-K342 PolarHBondContact O-N 3.09Å | ||
| 327 | V | 80.2 | Confident | 77.9 | Confident | 44 Ų | 44 | 81.5 Ų | 81.5 | 27% | 0.267 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 127.4 | 177.8 | -170.8 | 0 | 0 | 0 | 0 | 109 | F308 F312 I329 F339 | F308-V327 HydrophobicContact CE2-CG1 4.12Å; F308-V327 HydrophobicContact CZ-CG1 4.22Å; F312-V327 HydrophobicContact CD2-CG2 3.68Å; F312-V327 HydrophobicContact CE2-CG2 3.2Å; F312-V327 HydrophobicContact CZ-CG2 4.11Å; V327-I329 HydrophobicContact CG1-CD1 4.4Å; V327-I329 HydrophobicContact CG1-CG1 3.78Å; V327-F339 HydrophobicContact CG1-CB 3.84Å; V327-F339 HydrophobicContact CG1-CD2 3.89Å; V327-F339 HydrophobicContact CG1-CG 4.31Å |
| 328 | V | 83.8 | Confident | 78.5 | Confident | 80 Ų | 80 | 79.5 Ų | 79.5 | 49% | 0.485 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 121.7 | 168.5 | -178.6 | 0 | 0 | 0 | 0 | 107.3 | F339 V340 K342 | V328-F339 VanDerWaalsContact O-CA 3.29Å; V328-F339 WeakPolarHBondContact O-CA 3.43Å; V328-V340 PolarHBondContact N-O 3.43Å; V328-V340 PolarHBondContact O-N 3.31Å; V328-K342 HydrophobicContact CG2-CG 4.4Å |
| 329 | I | 84.6 | Confident | 79.3 | Confident | 52 Ų | 52 | 74.8 Ų | 74.8 | 27% | 0.267 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 122.6 | -178.4 | -53.4 | 173.6 | 0 | 0 | 0 | 107.5 | L298 F308 V327 V331 F337 T338 F339 | L298-I329 HydrophobicContact CD2-CD1 3.48Å; L298-I329 VanDerWaalsContact CD2-CD1 3.48Å; F308-I329 HydrophobicContact CD2-CD1 3.99Å; F308-I329 HydrophobicContact CE1-CD1 4.45Å; F308-I329 HydrophobicContact CE2-CD1 3.33Å; F308-I329 HydrophobicContact CE2-CG1 3.82Å; F308-I329 HydrophobicContact CZ-CD1 3.6Å; F308-I329 HydrophobicContact CZ-CG1 4.39Å; V327-I329 HydrophobicContact CG1-CD1 4.4Å; V327-I329 HydrophobicContact CG1-CG1 3.78Å; I329-V331 HydrophobicContact CG2-CG2 4.07Å; I329-F337 HydrophobicContact CG2-CB 4.25Å; I329-T338 WeakPolarHBondContact CA-O 3.25Å; I329-F339 HydrophobicContact CG1-CB 4.11Å |
| 330 | T | 86.5 | Confident | 80 | Confident | 68 Ų | 68 | 76.3 Ų | 76.3 | 42% | 0.417 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 116.1 | 172.6 | -56 | 0 | 0 | 0 | 0 | 107.4 | Y332 F337 T338 | T330-Y332 HydrophobicContact CG2-CE1 4.45Å; T330-F337 CarbonylContact O-C 3.59Å; T330-F337 VanDerWaalsContact O-CA 3.3Å; T330-F337 WeakPolarHBondContact O-CA 3.43Å; T330-T338 PolarHBondContact N-O 2.66Å; T330-T338 PolarHBondContact O-N 3.37Å |
| 331 | V | 85.9 | Confident | 80.8 | Confident | 51 Ų | 51 | 72.9 Ų | 72.9 | 31% | 0.309 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 124.3 | 177.6 | -173.9 | 0 | 0 | 0 | 0 | 108.3 | Q301 V303 I329 | Q301-V331 HydrophobicContact CB-CG1 4.45Å; Q301-V331 HydrophobicContact CB-CG2 4.19Å; V303-V331 HydrophobicContact CG2-CB 4.25Å; V303-V331 HydrophobicContact CG2-CG1 3.72Å; V303-V331 HydrophobicContact CG2-CG2 3.47Å; V303-V331 VanDerWaalsContact CG2-CG2 3.47Å; I329-V331 HydrophobicContact CG2-CG2 4.07Å |
| 332 | Y | 86.5 | Confident | 81.6 | Confident | 113 Ų | 113 | 68.7 Ų | 68.7 | 44% | 0.443 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -88.7 | 162.1 | 177 | -61.3 | -84.7 | 0 | 0 | 0 | 110.8 | T330 D334 R335 S336 T338 | T330-Y332 HydrophobicContact CG2-CE1 4.45Å; Y332-D334 VanDerWaalsContact CB-OD1 3.24Å; Y332-D334 WeakPolarHBondContact CB-OD1 3.22Å; Y332-D334 PolarHBondContact O-N 2.97Å; Y332-R335 PolarHBondContact O-N 3.28Å; Y332-S336 WeakPolarHBondContact CB-OG 3.31Å; Y332-S336 VanDerWaalsContact CD2-OG 3.31Å; Y332-S336 WeakPolarHBondContact CD2-OG 3.29Å; Y332-S336 PolarHBondContact N-O 3.29Å; Y332-T338 HydrophobicContact CE2-CG2 3.73Å; Y332-T338 PolarHBondContact OH-OG1 3.49Å |
| 333 | A | 83.9 | Confident | 82.5 | Confident | 112 Ų | 112 | 66 Ų | 66 | 93% | 0.926 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -24.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | R335 | A333-R335 PolarHBondContact O-N 3.37Š|
| 334 | D | 86.3 | Confident | 83.2 | Confident | 116 Ų | 116 | 64.9 Ų | 64.9 | 62% | 0.62 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | 7.2 | 175.9 | 65.7 | -6.4 | 0 | 0 | 0 | 113.5 | Y332 S336 | Y332-D334 VanDerWaalsContact CB-OD1 3.24Å; Y332-D334 WeakPolarHBondContact CB-OD1 3.22Å; Y332-D334 PolarHBondContact O-N 2.97Å; D334-S336 PolarHBondContact O-N 3.16Å; D334-S336 VanDerWaalsContact OD1-CB 3.23Å; D334-S336 WeakPolarHBondContact OD1-CB 3.44Å; D334-S336 PolarHBondContact OD1-N 3.06Å; D334-S336 PolarHBondContact OD1-OG 3.11Å; D334-S336 PolarHBondContact OD2-OG 3.43Å |
| 335 | R | 77.8 | Confident | 83.9 | Confident | 183 Ų | 183 | 64 Ų | 64 | 69% | 0.691 | 36% | 0.356 | S | S | * | . | S | Bend | trans | 68.8 | 6.5 | -174.8 | -49.3 | 174.9 | -177.7 | 168.8 | 0.1 | 114.6 | Y332 A333 | Y332-R335 PolarHBondContact O-N 3.28Å; A333-R335 PolarHBondContact O-N 3.37Å |
| 336 | S | 82.2 | Confident | 84.4 | Confident | 49 Ų | 49 | 63.5 Ų | 63.5 | 34% | 0.343 | 36% | 0.355 | S | S | . | . | trans | -70.2 | 155.1 | 165.9 | 72.5 | 0 | 0 | 0 | 0 | 109.8 | Y332 D334 | Y332-S336 WeakPolarHBondContact CB-OG 3.31Å; Y332-S336 VanDerWaalsContact CD2-OG 3.31Å; Y332-S336 WeakPolarHBondContact CD2-OG 3.29Å; Y332-S336 PolarHBondContact N-O 3.29Å; D334-S336 PolarHBondContact O-N 3.16Å; D334-S336 VanDerWaalsContact OD1-CB 3.23Å; D334-S336 WeakPolarHBondContact OD1-CB 3.44Å; D334-S336 PolarHBondContact OD1-N 3.06Å; D334-S336 PolarHBondContact OD1-OG 3.11Å; D334-S336 PolarHBondContact OD2-OG 3.43Å | ||
| 337 | F | 86 | Confident | 84.7 | Confident | 31 Ų | 31 | 62.6 Ų | 62.6 | 14% | 0.136 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 143.4 | 179.9 | 68.5 | -80.5 | 0 | 0 | 0 | 110.6 | V303 E307 F308 I329 T330 F339 | V303-F337 HydrophobicContact CG1-CB 4.03Å; V303-F337 HydrophobicContact CG1-CD1 3.45Å; V303-F337 VanDerWaalsContact CG1-CD1 3.45Å; V303-F337 HydrophobicContact CG1-CD2 4.34Å; V303-F337 HydrophobicContact CG1-CE1 3.96Å; V303-F337 HydrophobicContact CG1-CG 3.66Å; V303-F337 HydrophobicContact CG2-CB 4.34Å; E307-F337 HydrophobicContact CB-CE1 4.13Å; E307-F337 HydrophobicContact CB-CZ 4.1Å; E307-F337 HydrophobicContact CG-CE1 4.07Å; E307-F337 HydrophobicContact CG-CZ 3.93Å; F308-F337 HydrophobicContact CB-CE2 3.83Å; F308-F337 HydrophobicContact CB-CZ 3.85Å; F308-F337 HydrophobicContact CD2-CD2 4.16Å; F308-F337 AromaticContact CD2-CE2 3.81Å; F308-F337 HydrophobicContact CD2-CE2 3.81Å; F308-F337 HydrophobicContact CG-CE2 4.33Å; I329-F337 HydrophobicContact CG2-CB 4.25Å; T330-F337 CarbonylContact O-C 3.59Å; T330-F337 VanDerWaalsContact O-CA 3.3Å; T330-F337 WeakPolarHBondContact O-CA 3.43Å; F337-F339 HydrophobicContact CD2-CD1 4.23Å; F337-F339 AromaticContact CE2-CD1 3.94Å; F337-F339 HydrophobicContact CE2-CD1 3.94Å; F337-F339 HydrophobicContact CE2-CE1 4.41Å |
| 338 | T | 87 | Confident | 85 | Confident | 63 Ų | 63 | 62.1 Ų | 62.1 | 39% | 0.387 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 147 | 162.8 | 53.4 | 0 | 0 | 0 | 0 | 108.5 | I329 T330 Y332 | I329-T338 WeakPolarHBondContact CA-O 3.25Å; T330-T338 PolarHBondContact N-O 2.66Å; T330-T338 PolarHBondContact O-N 3.37Å; Y332-T338 HydrophobicContact CE2-CG2 3.73Å; Y332-T338 PolarHBondContact OH-OG1 3.49Å |
| 339 | F | 87.9 | Confident | 85.1 | Confident | 16 Ų | 16 | 59.3 Ų | 59.3 | 7% | 0.07 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 138.7 | 177.7 | 74.1 | -80.8 | 0 | 0 | 0 | 111.3 | F308 A311 F312 K315 V327 V328 I329 F337 T341 | F308-F339 HydrophobicContact CD2-CD1 4.49Å; F308-F339 HydrophobicContact CD2-CG 4.47Å; F308-F339 HydrophobicContact CE2-CB 4.14Å; F308-F339 HydrophobicContact CE2-CD2 4.39Å; F308-F339 HydrophobicContact CE2-CG 4.13Å; A311-F339 HydrophobicContact CB-CE1 3.53Å; A311-F339 HydrophobicContact CB-CZ 3.73Å; A311-F339 WeakPolarHBondContact O-CZ 3.25Å; F312-F339 HydrophobicContact CB-CE2 4.45Å; F312-F339 HydrophobicContact CD2-CE2 4.4Å; K315-F339 HydrophobicContact CB-CE2 4.36Å; K315-F339 HydrophobicContact CD-CE2 3.53Å; K315-F339 HydrophobicContact CD-CZ 3.51Å; K315-F339 VanDerWaalsContact CE-CZ 3.41Å; K315-F339 HydrophobicContact CG-CE2 4.19Å; K315-F339 HydrophobicContact CG-CZ 3.97Å; K315-F339 PolarHBondContact NZ-O 3.42Å; V327-F339 HydrophobicContact CG1-CB 3.84Å; V327-F339 HydrophobicContact CG1-CD2 3.89Å; V327-F339 HydrophobicContact CG1-CG 4.31Å; V328-F339 VanDerWaalsContact O-CA 3.29Å; V328-F339 WeakPolarHBondContact O-CA 3.43Å; I329-F339 HydrophobicContact CG1-CB 4.11Å; F337-F339 HydrophobicContact CD2-CD1 4.23Å; F337-F339 AromaticContact CE2-CD1 3.94Å; F337-F339 HydrophobicContact CE2-CD1 3.94Å; F337-F339 HydrophobicContact CE2-CE1 4.41Å; F339-T341 HydrophobicContact CD2-CG2 4.11Å; F339-T341 HydrophobicContact CE2-CG2 3.96Å |
| 340 | V | 84.9 | Confident | 85.3 | Confident | 81 Ų | 81 | 56.8 Ų | 56.8 | 49% | 0.491 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 117.6 | 175.8 | -177 | 0 | 0 | 0 | 0 | 107.8 | V328 | V328-V340 PolarHBondContact N-O 3.43Å; V328-V340 PolarHBondContact O-N 3.31Å |
| 341 | T | 84.9 | Confident | 85.3 | Confident | 40 Ų | 40 | 56.9 Ų | 56.9 | 25% | 0.245 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 128 | 172.5 | 48.3 | 0 | 0 | 0 | 0 | 109.1 | F312 K315 T316 I325 F339 | F312-T341 HydrophobicContact CD2-CG2 4.17Å; F312-T341 HydrophobicContact CE2-CG2 4.13Å; K315-T341 HydrophobicContact CB-CG2 4.48Å; T316-T341 HydrophobicContact CG2-CG2 4.16Å; I325-T341 HydrophobicContact CG2-CG2 4.36Å; F339-T341 HydrophobicContact CD2-CG2 4.11Å; F339-T341 HydrophobicContact CE2-CG2 3.96Å |
| 342 | K | 83.3 | Confident | 85.2 | Confident | 80 Ų | 80 | 59.6 Ų | 59.6 | 35% | 0.348 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -96.9 | 156.3 | 176.2 | -65.5 | -63.5 | -171 | -178.6 | 0 | 110.4 | I325 P326 V328 D386 | I325-K342 WeakPolarHBondContact CG2-O 3.41Å; P326-K342 HydrophobicContact CB-CB 4.1Å; P326-K342 HydrophobicContact CG-CB 3.88Å; P326-K342 WeakPolarHBondContact O-CB 3.33Å; P326-K342 PolarHBondContact O-N 3.09Å; V328-K342 HydrophobicContact CG2-CG 4.4Å; K342-D386 WeakPolarHBondContact CD-OD1 3.45Å; K342-D386 IonicContact NZ-OD1 3.68Å; K342-D386 PolarHBondContact NZ-OD1 3.17Å |
| 343 | T | 83.8 | Confident | 85.2 | Confident | 23 Ų | 23 | 56 Ų | 56 | 14% | 0.141 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 146.4 | 171.4 | 52 | 0 | 0 | 0 | 0 | 110.6 | T382 K383 D386 | T343-T382 WeakPolarHBondContact CG2-O 3.36Å; T343-K383 WeakPolarHBondContact OG1-CG 3.46Å; T343-K383 PolarHBondContact OG1-NZ 2.69Å; T343-D386 VanDerWaalsContact CB-OD2 3.29Å; T343-D386 WeakPolarHBondContact CB-OD2 3.44Å; T343-D386 VanDerWaalsContact CG2-OD2 3.25Å; T343-D386 WeakPolarHBondContact CG2-OD2 3.42Å; T343-D386 PolarHBondContact N-OD2 3.26Å; T343-D386 WeakPolarHBondContact OG1-CB 3.32Å; T343-D386 PolarHBondContact OG1-OD2 3.33Å |
| 344 | P | 84.4 | Confident | 85.3 | Confident | 9 Ų | 9 | 51.8 Ų | 51.8 | 6% | 0.058 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -52 | 150.2 | 177 | -27.1 | 34.6 | 0 | 0 | 0 | 112.5 | L323 A346 L349 K383 | L323-P344 HydrophobicContact CB-CG 4.35Å; L323-P344 HydrophobicContact CD1-CG 4.41Å; P344-A346 PolarHBondContact O-N 2.93Å; P344-L349 HydrophobicContact CB-CD1 4.49Å; P344-L349 HydrophobicContact CB-CD2 4.08Å; P344-L349 HydrophobicContact CB-CG 4.13Å; P344-L349 HydrophobicContact CG-CD2 4.35Å; P344-K383 PolarHBondContact O-NZ 3.49Å |
| 345 | P | 85.8 | Confident | 85.1 | Confident | 54 Ų | 54 | 49.6 Ų | 49.6 | 35% | 0.351 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 140.5 | 176.1 | -23.3 | 33.4 | 0 | 0 | 0 | 111.2 | P324 A347 V348 L349 | P324-P345 WeakPolarHBondContact O-CD 3.46Å; P345-A347 PolarHBondContact O-N 3.46Å; P345-A347 VanDerWaalsContact O-N 3.13Å; P345-V348 HydrophobicContact CB-CG2 4.23Å; P345-V348 HydrophobicContact CG-CG2 4.31Å; P345-V348 WeakPolarHBondContact O-CB 3.47Å; P345-V348 PolarHBondContact O-N 3.24Å; P345-L349 PolarHBondContact O-N 3.22Å |
| 346 | A | 86.8 | Confident | 85.3 | Confident | 15 Ų | 15 | 42.2 Ų | 42.2 | 12% | 0.124 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -54.4 | -37.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | P344 V348 L349 L350 K383 T402 | P344-A346 PolarHBondContact O-N 2.93Å; A346-V348 VanDerWaalsContact C-N 3.26Å; A346-V348 PolarHBondContact O-N 3.12Å; A346-L349 PolarHBondContact O-N 3.28Å; A346-L350 WeakPolarHBondContact O-CB 3.49Å; A346-L350 WeakPolarHBondContact O-CG 3.49Å; A346-L350 PolarHBondContact O-N 3.08Å; A346-K383 HydrophobicContact CB-CD 4.25Å; A346-T402 HydrophobicContact CB-CG2 4.19Å |
| 347 | A | 86.1 | Confident | 85 | Confident | 35 Ų | 35 | 49.6 Ų | 49.6 | 29% | 0.289 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58.8 | -33 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | P345 K351 M406 | P345-A347 PolarHBondContact O-N 3.46Å; P345-A347 VanDerWaalsContact O-N 3.13Å; A347-K351 WeakPolarHBondContact O-CG 3.26Å; A347-K351 PolarHBondContact O-N 3.37Å; A347-K351 VanDerWaalsContact O-N 3.09Å; A347-M406 HydrophobicContact CB-SD 3.66Å |
| 348 | V | 85.9 | Confident | 84.6 | Confident | 34 Ų | 34 | 52 Ų | 52 | 21% | 0.206 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -78 | -42.3 | 179.5 | 178.4 | 0 | 0 | 0 | 0 | 110.5 | L323 P324 P345 A346 L350 K351 K352 | L323-V348 HydrophobicContact CD2-CG1 3.86Å; P324-V348 HydrophobicContact CG-CB 4.46Å; P324-V348 HydrophobicContact CG-CG1 4.01Å; P324-V348 HydrophobicContact CG-CG2 3.85Å; P345-V348 HydrophobicContact CB-CG2 4.23Å; P345-V348 HydrophobicContact CG-CG2 4.31Å; P345-V348 WeakPolarHBondContact O-CB 3.47Å; P345-V348 PolarHBondContact O-N 3.24Å; A346-V348 VanDerWaalsContact C-N 3.26Å; A346-V348 PolarHBondContact O-N 3.12Å; V348-L350 VanDerWaalsContact C-N 3.33Å; V348-L350 PolarHBondContact O-N 3.44Å; V348-K351 PolarHBondContact O-N 2.99Å; V348-K352 PolarHBondContact O-N 3.42Å |
| 349 | L | 87.1 | Confident | 84.1 | Confident | 20 Ų | 20 | 50.5 Ų | 50.5 | 11% | 0.105 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.7 | -41.3 | 175 | -63.4 | 176 | 0 | 0 | 0 | 111.2 | P344 P345 A346 K352 A353 I379 | P344-L349 HydrophobicContact CB-CD1 4.49Å; P344-L349 HydrophobicContact CB-CD2 4.08Å; P344-L349 HydrophobicContact CB-CG 4.13Å; P344-L349 HydrophobicContact CG-CD2 4.35Å; P345-L349 PolarHBondContact O-N 3.22Å; A346-L349 PolarHBondContact O-N 3.28Å; L349-K352 PolarHBondContact O-N 3.03Å; L349-A353 WeakPolarHBondContact O-CB 3.37Å; L349-A353 PolarHBondContact O-N 2.96Å; L349-I379 HydrophobicContact CB-CD1 4.37Å; L349-I379 HydrophobicContact CB-CG1 4.25Å; L349-I379 HydrophobicContact CB-CG2 3.87Å; L349-I379 HydrophobicContact CD1-CG2 3.91Å |
| 350 | L | 88.3 | Confident | 83.6 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 174.7 | -72.5 | 169.6 | 0 | 0 | 0 | 112.3 | A346 V348 K352 A353 A354 I371 L376 I379 I399 T402 A403 M406 L408 | A346-L350 WeakPolarHBondContact O-CB 3.49Å; A346-L350 WeakPolarHBondContact O-CG 3.49Å; A346-L350 PolarHBondContact O-N 3.08Å; V348-L350 VanDerWaalsContact C-N 3.33Å; V348-L350 PolarHBondContact O-N 3.44Å; L350-K352 VanDerWaalsContact C-N 3.3Å; L350-K352 PolarHBondContact O-N 2.96Å; L350-A353 PolarHBondContact O-N 3.44Å; L350-A354 VanDerWaalsContact O-CB 3.29Å; L350-A354 WeakPolarHBondContact O-CB 3.43Å; L350-A354 PolarHBondContact O-N 3.26Å; L350-I371 HydrophobicContact CD2-CD1 3.39Å; L350-L376 HydrophobicContact CD2-CD2 3.71Å; L350-I379 HydrophobicContact CD2-CD1 3.85Å; L350-I379 HydrophobicContact CG-CD1 4.38Å; L350-I399 HydrophobicContact CD1-CG2 4.36Å; L350-I399 HydrophobicContact CD2-CG2 3.95Å; L350-I399 HydrophobicContact CG-CG2 4.35Å; L350-T402 HydrophobicContact CD1-CG2 3.83Å; L350-A403 HydrophobicContact CD1-CB 4.05Å; L350-A403 HydrophobicContact CD2-CB 4.04Å; L350-M406 HydrophobicContact CB-SD 4.33Å; L350-M406 HydrophobicContact CD1-SD 4.26Å; L350-L408 HydrophobicContact CB-CD1 4.1Å; L350-L408 HydrophobicContact CD2-CD1 4.45Å |
| 351 | K | 86.1 | Confident | 83.3 | Confident | 70 Ų | 70 | 50.5 Ų | 50.5 | 30% | 0.304 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.6 | -42.7 | 174.4 | -78.5 | 173.5 | -174.3 | -172.1 | 0 | 112 | A347 V348 G355 I356 M406 | A347-K351 WeakPolarHBondContact O-CG 3.26Å; A347-K351 PolarHBondContact O-N 3.37Å; A347-K351 VanDerWaalsContact O-N 3.09Å; V348-K351 PolarHBondContact O-N 2.99Å; K351-G355 WeakPolarHBondContact O-CA 3.43Å; K351-G355 PolarHBondContact O-N 2.58Å; K351-I356 HydrophobicContact CB-CG1 4.22Å; K351-I356 WeakPolarHBondContact CB-O 3.32Å; K351-I356 HydrophobicContact CG-CD1 4.24Å; K351-I356 HydrophobicContact CG-CG1 4.01Å; K351-I356 PolarHBondContact O-N 3.49Å; K351-M406 HydrophobicContact CD-CE 4.27Å; K351-M406 HydrophobicContact CG-CE 3.61Å |
| 352 | K | 85.3 | Confident | 83.2 | Confident | 108 Ų | 108 | 55 Ų | 55 | 47% | 0.47 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65 | -48.5 | 177.9 | -174.9 | -173.8 | 169.9 | -161.7 | 0 | 111.2 | E320 V348 L349 L350 A354 G355 | E320-K352 IonicContact OE1-NZ 3.54Å; E320-K352 PolarHBondContact OE1-NZ 3.45Å; E320-K352 VanDerWaalsContact OE2-CE 3.23Å; E320-K352 WeakPolarHBondContact OE2-CE 3.42Å; E320-K352 IonicContact OE2-NZ 3.9Å; E320-K352 PolarHBondContact OE2-NZ 3.45Å; V348-K352 PolarHBondContact O-N 3.42Å; L349-K352 PolarHBondContact O-N 3.03Å; L350-K352 VanDerWaalsContact C-N 3.3Å; L350-K352 PolarHBondContact O-N 2.96Å; K352-A354 VanDerWaalsContact C-N 3.34Å; K352-A354 PolarHBondContact O-N 3.06Å; K352-G355 PolarHBondContact O-N 2.99Å |
| 353 | A | 85.9 | Confident | 82.9 | Confident | 37 Ų | 37 | 52.8 Ų | 52.8 | 31% | 0.306 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.6 | -36.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | L349 L350 I371 I379 | L349-A353 WeakPolarHBondContact O-CB 3.37Å; L349-A353 PolarHBondContact O-N 2.96Å; L350-A353 PolarHBondContact O-N 3.44Å; A353-I371 HydrophobicContact CB-CD1 3.98Å; A353-I379 HydrophobicContact CB-CD1 3.96Å |
| 354 | A | 85.3 | Confident | 82.6 | Confident | 23 Ų | 23 | 59.1 Ų | 59.1 | 19% | 0.19 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -88.8 | -5.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L350 K352 I356 L408 | L350-A354 VanDerWaalsContact O-CB 3.29Å; L350-A354 WeakPolarHBondContact O-CB 3.43Å; L350-A354 PolarHBondContact O-N 3.26Å; K352-A354 VanDerWaalsContact C-N 3.34Å; K352-A354 PolarHBondContact O-N 3.06Å; A354-I356 VanDerWaalsContact C-N 3.3Å; A354-I356 HydrophobicContact CB-CG1 4.16Å; A354-I356 HydrophobicContact CB-CG2 4.41Å; A354-I356 PolarHBondContact O-N 3.46Å; A354-L408 HydrophobicContact CB-CD1 4.16Å; A354-L408 HydrophobicContact CB-CD2 3.71Å |
| 355 | G | 83.1 | Confident | 82.1 | Confident | 71 Ų | 71 | 66.9 Ų | 66.9 | 73% | 0.732 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | 22.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | K351 K352 | K351-G355 WeakPolarHBondContact O-CA 3.43Å; K351-G355 PolarHBondContact O-N 2.58Å; K352-G355 PolarHBondContact O-N 2.99Å |
| 356 | I | 81.8 | Confident | 81.9 | Confident | 28 Ų | 28 | 68.5 Ų | 68.5 | 14% | 0.144 | 40% | 0.402 | C | S | . | . | trans | -101.9 | 142.9 | -175.6 | 59.2 | 162.6 | 0 | 0 | 0 | 112.4 | K351 A354 V368 M406 L408 | K351-I356 HydrophobicContact CB-CG1 4.22Å; K351-I356 WeakPolarHBondContact CB-O 3.32Å; K351-I356 HydrophobicContact CG-CD1 4.24Å; K351-I356 HydrophobicContact CG-CG1 4.01Å; K351-I356 PolarHBondContact O-N 3.49Å; A354-I356 VanDerWaalsContact C-N 3.3Å; A354-I356 HydrophobicContact CB-CG1 4.16Å; A354-I356 HydrophobicContact CB-CG2 4.41Å; A354-I356 PolarHBondContact O-N 3.46Å; I356-V368 HydrophobicContact CD1-CG2 3.98Å; I356-V368 VanDerWaalsContact CG2-O 3.27Å; I356-V368 WeakPolarHBondContact CG2-O 3.26Å; I356-M406 HydrophobicContact CD1-CE 4.14Å; I356-L408 HydrophobicContact CD1-CD2 3.85Å; I356-L408 HydrophobicContact CD1-CG 4.44Å | ||
| 357 | K | 75.7 | Confident | 81.7 | Confident | 204 Ų | 204 | 73.2 Ų | 73.2 | 89% | 0.887 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -83 | -36.5 | 178.8 | -66 | -178.1 | 179.4 | -179.8 | 0 | 112.9 | ||
| 358 | S | 77.5 | Confident | 81.4 | Confident | 81 Ų | 81 | 74 Ų | 74 | 57% | 0.566 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -137.7 | 147.9 | -177.4 | 56.2 | 0 | 0 | 0 | 0 | 111.2 | ||
| 359 | G | 75.8 | Confident | 81.3 | Confident | 31 Ų | 31 | 73.4 Ų | 73.4 | 32% | 0.32 | 42% | 0.422 | S | S | . | . | trans | -73.8 | 166.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 360 | S | 79 | Confident | 81.3 | Confident | 16 Ų | 16 | 78.7 Ų | 78.7 | 11% | 0.112 | 44% | 0.444 | C | S | . | . | trans | -69.3 | 133 | 175.3 | -176.2 | 0 | 0 | 0 | 0 | 111.7 | K362 D366 M406 | S360-K362 PolarHBondContact O-N 3.33Å; S360-K362 PolarHBondContact OG-N 3.48Å; S360-K362 PolarHBondContact OG-O 2.81Å; S360-D366 WeakPolarHBondContact CB-O 3.37Å; S360-D366 PolarHBondContact OG-O 3.23Å; S360-M406 WeakPolarHBondContact CB-O 2.91Å; S360-M406 PolarHBondContact N-O 3.03Å | ||
| 361 | G | 77.8 | Confident | 81.3 | Confident | 81 Ų | 81 | 78.8 Ų | 78.8 | 84% | 0.835 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -71 | -16.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 362 | K | 83 | Confident | 81.5 | Confident | 135 Ų | 135 | 77.2 Ų | 77.2 | 59% | 0.587 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -134 | 76.8 | 175.5 | -66.9 | 177.3 | -174.6 | 166 | 0 | 109.4 | S360 N364 K365 D366 | S360-K362 PolarHBondContact O-N 3.33Å; S360-K362 PolarHBondContact OG-N 3.48Å; S360-K362 PolarHBondContact OG-O 2.81Å; K362-N364 PolarHBondContact O-N 3.23Å; K362-K365 HydrophobicContact CB-CB 4.42Å; K362-K365 PolarHBondContact O-N 3.42Å; K362-D366 PolarHBondContact O-N 2.9Å |
| 363 | P | 76.6 | Confident | 81.7 | Confident | 34 Ų | 34 | 78.2 Ų | 78.2 | 22% | 0.221 | 44% | 0.443 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -26.4 | -172.3 | -26.2 | 34.5 | 0 | 0 | 0 | 115.2 | K367 S405 | P363-K367 PolarHBondContact O-NZ 3.31Å; P363-S405 VanDerWaalsContact CB-O 3.26Å; P363-S405 WeakPolarHBondContact CB-O 3.26Å; P363-S405 WeakPolarHBondContact CG-O 3.48Å |
| 364 | N | 76.6 | Confident | 81.9 | Confident | 156 Ų | 156 | 79.6 Ų | 79.6 | 83% | 0.834 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -21.5 | 180 | -67 | -17.3 | 0 | 0 | 0 | 113.8 | K362 | K362-N364 PolarHBondContact O-N 3.23Š|
| 365 | K | 75.5 | Confident | 82.1 | Confident | 172 Ų | 172 | 81.5 Ų | 81.5 | 75% | 0.748 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.5 | -46.1 | -177.4 | -67.5 | -170.5 | 177.2 | -171.8 | 0 | 112.1 | K362 | K362-K365 HydrophobicContact CB-CB 4.42Å; K362-K365 PolarHBondContact O-N 3.42Å |
| 366 | D | 80.8 | Confident | 82.4 | Confident | 88 Ų | 88 | 78.2 Ų | 78.2 | 47% | 0.471 | 43% | 0.425 | S | S | . | . | trans | -106.9 | 106.4 | -171.2 | -52.9 | -37.1 | 0 | 0 | 0 | 109.2 | S360 K362 | S360-D366 WeakPolarHBondContact CB-O 3.37Å; S360-D366 PolarHBondContact OG-O 3.23Å; K362-D366 PolarHBondContact O-N 2.9Å | ||
| 367 | K | 82.3 | Confident | 82.7 | Confident | 113 Ų | 113 | 81 Ų | 81 | 49% | 0.491 | 44% | 0.438 | S | S | . | . | trans | -84.7 | 130.3 | 174.6 | -60.7 | -58.6 | -176.9 | -169.7 | 0 | 109.7 | P363 G407 V409 | P363-K367 PolarHBondContact O-NZ 3.31Å; K367-G407 CarbonylContact C-O 3.54Å; K367-G407 VanDerWaalsContact CA-O 3.22Å; K367-G407 WeakPolarHBondContact CA-O 3.48Å; K367-G407 WeakPolarHBondContact CD-O 3.38Å; K367-V409 HydrophobicContact CB-CG2 4.02Å; K367-V409 HydrophobicContact CD-CG2 3.92Å; K367-V409 HydrophobicContact CG-CG2 3.79Å | ||
| 368 | V | 80.7 | Confident | 83.4 | Confident | 52 Ų | 52 | 77.3 Ų | 77.3 | 32% | 0.315 | 42% | 0.424 | S | S | . | . | trans | -107.4 | -7.1 | -170.6 | -71.3 | 0 | 0 | 0 | 0 | 113.9 | I356 M406 G407 L408 | I356-V368 HydrophobicContact CD1-CG2 3.98Å; I356-V368 VanDerWaalsContact CG2-O 3.27Å; I356-V368 WeakPolarHBondContact CG2-O 3.26Å; V368-M406 VanDerWaalsContact CG2-O 3.3Å; V368-M406 WeakPolarHBondContact CG2-O 3.49Å; V368-G407 PolarHBondContact N-O 3.26Å; V368-L408 HydrophobicContact CG2-CD2 4.4Å | ||
| 369 | G | 82.7 | Confident | 83.9 | Confident | 22 Ų | 22 | 74 Ų | 74 | 23% | 0.227 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.5 | 178.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L408 V409 | G369-L408 WeakPolarHBondContact O-CA 3.22Å; G369-V409 PolarHBondContact O-N 2.97Å |
| 370 | K | 87 | Confident | 84.5 | Confident | 130 Ų | 130 | 72.6 Ų | 72.6 | 57% | 0.565 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 147.4 | 177.7 | -66 | 173.4 | 167.3 | -155.5 | 0 | 109.8 | V409 E411 | K370-V409 CarbonylContact C-O 3.56Å; K370-V409 VanDerWaalsContact CA-O 3.28Å; K370-V409 WeakPolarHBondContact CA-O 3.34Å; K370-V409 HydrophobicContact CG-CB 4.34Å; K370-E411 VanDerWaalsContact CD-OE1 3.27Å; K370-E411 WeakPolarHBondContact CD-OE1 3.37Å; K370-E411 WeakPolarHBondContact CE-OE1 3.39Å; K370-E411 IonicContact NZ-OE1 3.31Å; K370-E411 PolarHBondContact NZ-OE1 3.03Å; K370-E411 IonicContact NZ-OE2 3.97Å |
| 371 | I | 89.1 | Confident | 84.9 | Confident | 2 Ų | 2 | 77 Ų | 77 | 1% | 0.01 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 138.3 | 175.3 | -163 | 171.1 | 0 | 0 | 0 | 110 | L350 A353 Q375 L376 I379 A403 L408 V409 V410 E411 | L350-I371 HydrophobicContact CD2-CD1 3.39Å; A353-I371 HydrophobicContact CB-CD1 3.98Å; I371-Q375 HydrophobicContact CD1-CB 4.3Å; I371-Q375 HydrophobicContact CG1-CB 3.93Å; I371-L376 HydrophobicContact CD1-CD2 3.91Å; I371-L376 HydrophobicContact CD1-CG 4.41Å; I371-L376 HydrophobicContact CG2-CD1 4.42Å; I371-L376 HydrophobicContact CG2-CD2 4.11Å; I371-L376 HydrophobicContact CG2-CG 4.27Å; I371-I379 HydrophobicContact CD1-CD1 4.13Å; I371-A403 HydrophobicContact CG2-CB 4.41Å; I371-L408 HydrophobicContact CG2-CB 4.41Å; I371-V409 PolarHBondContact N-O 3.13Å; I371-V410 HydrophobicContact CG2-CG2 4.2Å; I371-V410 WeakPolarHBondContact O-CA 3.31Å; I371-E411 PolarHBondContact O-N 3.36Å |
| 372 | S | 90.9 | Very high | 85.3 | Confident | 38 Ų | 38 | 76.9 Ų | 76.9 | 27% | 0.266 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 153.9 | 179.2 | 63.8 | 0 | 0 | 0 | 0 | 112.1 | A374 Q375 L376 E411 | S372-A374 PolarHBondContact O-N 3.35Å; S372-Q375 PolarHBondContact O-N 3.5Å; S372-Q375 VanDerWaalsContact OG-CG 3.24Å; S372-Q375 WeakPolarHBondContact OG-CG 3.25Å; S372-Q375 PolarHBondContact OG-N 3.36Å; S372-Q375 PolarHBondContact OG-OE1 2.94Å; S372-L376 PolarHBondContact O-N 3.05Å; S372-E411 CarbonylContact C-O 3.55Å; S372-E411 WeakPolarHBondContact CA-O 3.23Å |
| 373 | R | 88.5 | Confident | 85.5 | Confident | 128 Ų | 128 | 72 Ų | 72 | 48% | 0.483 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.9 | -32.9 | 174.8 | -168.5 | 170.9 | 177.9 | 179.6 | -4.1 | 113 | L376 Q377 E411 | R373-L376 WeakPolarHBondContact O-CB 3.43Å; R373-L376 PolarHBondContact O-N 2.93Å; R373-Q377 PolarHBondContact O-N 3.33Å; R373-Q377 VanDerWaalsContact O-N 3.08Å; R373-E411 PolarHBondContact N-O 3.45Å |
| 374 | A | 89.8 | Confident | 85.8 | Confident | 67 Ų | 67 | 72.3 Ų | 72.3 | 55% | 0.554 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -61.8 | -44.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S372 L376 Q377 E378 | S372-A374 PolarHBondContact O-N 3.35Å; A374-L376 VanDerWaalsContact C-N 3.34Å; A374-L376 PolarHBondContact O-N 2.9Å; A374-Q377 WeakPolarHBondContact O-CB 3.45Å; A374-Q377 PolarHBondContact O-N 3.43Å; A374-E378 PolarHBondContact O-N 3.35Å |
| 375 | Q | 89.6 | Confident | 86 | Confident | 63 Ų | 63 | 69.2 Ų | 69.2 | 29% | 0.294 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.2 | -37.3 | 176.3 | -73 | 168.7 | -41.2 | 0 | 0 | 112 | I371 S372 Q377 E378 I379 | I371-Q375 HydrophobicContact CD1-CB 4.3Å; I371-Q375 HydrophobicContact CG1-CB 3.93Å; S372-Q375 PolarHBondContact O-N 3.5Å; S372-Q375 VanDerWaalsContact OG-CG 3.24Å; S372-Q375 WeakPolarHBondContact OG-CG 3.25Å; S372-Q375 PolarHBondContact OG-N 3.36Å; S372-Q375 PolarHBondContact OG-OE1 2.94Å; Q375-Q377 VanDerWaalsContact C-N 3.29Å; Q375-Q377 PolarHBondContact O-N 2.85Å; Q375-E378 PolarHBondContact O-N 3.39Å; Q375-I379 VanDerWaalsContact O-CG1 3.24Å; Q375-I379 WeakPolarHBondContact O-CG1 3.45Å; Q375-I379 PolarHBondContact O-N 2.92Å |
| 376 | L | 89.2 | Confident | 86.2 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.9 | -39.7 | 174.9 | -67.2 | 173.5 | 0 | 0 | 0 | 111.5 | L350 I371 S372 R373 A374 I379 A380 T396 I399 E400 A403 V410 | L350-L376 HydrophobicContact CD2-CD2 3.71Å; I371-L376 HydrophobicContact CD1-CD2 3.91Å; I371-L376 HydrophobicContact CD1-CG 4.41Å; I371-L376 HydrophobicContact CG2-CD1 4.42Å; I371-L376 HydrophobicContact CG2-CD2 4.11Å; I371-L376 HydrophobicContact CG2-CG 4.27Å; S372-L376 PolarHBondContact O-N 3.05Å; R373-L376 WeakPolarHBondContact O-CB 3.43Å; R373-L376 PolarHBondContact O-N 2.93Å; A374-L376 VanDerWaalsContact C-N 3.34Å; A374-L376 PolarHBondContact O-N 2.9Å; L376-I379 PolarHBondContact O-N 2.96Å; L376-A380 WeakPolarHBondContact O-CB 3.33Å; L376-A380 PolarHBondContact O-N 3.29Å; L376-T396 HydrophobicContact CB-CG2 4.01Å; L376-I399 HydrophobicContact CD2-CG2 3.69Å; L376-E400 HydrophobicContact CD1-CB 4.36Å; L376-E400 HydrophobicContact CD1-CG 4.12Å; L376-A403 HydrophobicContact CD2-CB 4.28Å; L376-V410 HydrophobicContact CD1-CG1 3.64Å; L376-V410 HydrophobicContact CD1-CG2 4.11Å |
| 377 | Q | 89.3 | Confident | 86.2 | Confident | 88 Ų | 88 | 61.1 Ų | 61.1 | 41% | 0.411 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67.6 | -40 | 177.4 | -173.4 | 175 | -10.8 | 0 | 0 | 112.2 | R373 A374 Q375 A380 Q381 I392 | R373-Q377 PolarHBondContact O-N 3.33Å; R373-Q377 VanDerWaalsContact O-N 3.08Å; A374-Q377 WeakPolarHBondContact O-CB 3.45Å; A374-Q377 PolarHBondContact O-N 3.43Å; Q375-Q377 VanDerWaalsContact C-N 3.29Å; Q375-Q377 PolarHBondContact O-N 2.85Å; Q377-A380 WeakPolarHBondContact O-CB 3.3Å; Q377-A380 PolarHBondContact O-N 3.02Å; Q377-Q381 WeakPolarHBondContact O-CG 3.36Å; Q377-Q381 PolarHBondContact O-N 3.48Å; Q377-I392 HydrophobicContact CG-CG2 4.14Å |
| 378 | E | 89.3 | Confident | 85.8 | Confident | 125 Ų | 125 | 63 Ų | 63 | 58% | 0.584 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -63.7 | -42.7 | 174.9 | -172.7 | -177.2 | -178.8 | 0 | 0 | 111.9 | A374 Q375 A380 Q381 T382 | A374-E378 PolarHBondContact O-N 3.35Å; Q375-E378 PolarHBondContact O-N 3.39Å; E378-A380 VanDerWaalsContact C-N 3.29Å; E378-A380 PolarHBondContact O-N 3.47Å; E378-Q381 PolarHBondContact O-N 3.44Å; E378-T382 PolarHBondContact O-N 3.19Å; E378-T382 PolarHBondContact O-OG1 3.23Å |
| 379 | I | 89.3 | Confident | 85.4 | Confident | 13 Ų | 13 | 62 Ų | 62 | 7% | 0.067 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.8 | -38.9 | 173.8 | -65.3 | 167.4 | 0 | 0 | 0 | 110.2 | L349 L350 A353 I371 Q375 L376 T382 K383 I399 | L349-I379 HydrophobicContact CB-CD1 4.37Å; L349-I379 HydrophobicContact CB-CG1 4.25Å; L349-I379 HydrophobicContact CB-CG2 3.87Å; L349-I379 HydrophobicContact CD1-CG2 3.91Å; L350-I379 HydrophobicContact CD2-CD1 3.85Å; L350-I379 HydrophobicContact CG-CD1 4.38Å; A353-I379 HydrophobicContact CB-CD1 3.96Å; I371-I379 HydrophobicContact CD1-CD1 4.13Å; Q375-I379 VanDerWaalsContact O-CG1 3.24Å; Q375-I379 WeakPolarHBondContact O-CG1 3.45Å; Q375-I379 PolarHBondContact O-N 2.92Å; L376-I379 PolarHBondContact O-N 2.96Å; I379-T382 PolarHBondContact O-N 3.12Å; I379-K383 WeakPolarHBondContact O-CB 3.33Å; I379-K383 PolarHBondContact O-N 3.06Å; I379-I399 HydrophobicContact CB-CD1 4.4Å; I379-I399 HydrophobicContact CB-CG2 4.5Å; I379-I399 HydrophobicContact CG2-CD1 3.89Å; I379-I399 HydrophobicContact CG2-CG1 4.5Å; I379-I399 HydrophobicContact CG2-CG2 4.04Å |
| 380 | A | 88.3 | Confident | 84.8 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.008 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L376 Q377 E378 K383 A384 M395 I399 | L376-A380 WeakPolarHBondContact O-CB 3.33Å; L376-A380 PolarHBondContact O-N 3.29Å; Q377-A380 WeakPolarHBondContact O-CB 3.3Å; Q377-A380 PolarHBondContact O-N 3.02Å; E378-A380 VanDerWaalsContact C-N 3.29Å; E378-A380 PolarHBondContact O-N 3.47Å; A380-K383 CarbonylContact O-C 3.53Å; A380-K383 PolarHBondContact O-N 2.8Å; A380-A384 WeakPolarHBondContact O-CA 3.27Å; A380-A384 PolarHBondContact O-N 3.41Å; A380-M395 HydrophobicContact CB-CB 4.08Å; A380-I399 HydrophobicContact CB-CD1 3.53Å; A380-I399 VanDerWaalsContact N-CD1 3.34Å |
| 381 | Q | 87.3 | Confident | 84.7 | Confident | 107 Ų | 107 | 64.6 Ų | 64.6 | 50% | 0.5 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.7 | -44.9 | 176 | -72.6 | 172.7 | -5.8 | 0 | 0 | 111.5 | Q377 E378 K383 A384 | Q377-Q381 WeakPolarHBondContact O-CG 3.36Å; Q377-Q381 PolarHBondContact O-N 3.48Å; E378-Q381 PolarHBondContact O-N 3.44Å; Q381-K383 PolarHBondContact O-N 3.34Å; Q381-A384 VanDerWaalsContact O-CB 3.31Å; Q381-A384 WeakPolarHBondContact O-CB 3.37Å; Q381-A384 PolarHBondContact O-N 3.27Å |
| 382 | T | 85.3 | Confident | 84.5 | Confident | 80 Ų | 80 | 68.4 Ų | 68.4 | 49% | 0.491 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.7 | -36.6 | 177.2 | -54.8 | 0 | 0 | 0 | 0 | 111.6 | T343 E378 I379 | T343-T382 WeakPolarHBondContact CG2-O 3.36Å; E378-T382 PolarHBondContact O-N 3.19Å; E378-T382 PolarHBondContact O-OG1 3.23Å; I379-T382 PolarHBondContact O-N 3.12Å |
| 383 | K | 87 | Confident | 84.3 | Confident | 33 Ų | 33 | 71.9 Ų | 71.9 | 14% | 0.143 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -90 | -4.7 | -178.4 | -149.3 | 178.1 | 173.7 | 54.3 | 0 | 114.2 | T343 P344 A346 I379 A380 Q381 A385 D386 M387 | T343-K383 WeakPolarHBondContact OG1-CG 3.46Å; T343-K383 PolarHBondContact OG1-NZ 2.69Å; P344-K383 PolarHBondContact O-NZ 3.49Å; A346-K383 HydrophobicContact CB-CD 4.25Å; I379-K383 WeakPolarHBondContact O-CB 3.33Å; I379-K383 PolarHBondContact O-N 3.06Å; A380-K383 CarbonylContact O-C 3.53Å; A380-K383 PolarHBondContact O-N 2.8Å; Q381-K383 PolarHBondContact O-N 3.34Å; K383-A385 PolarHBondContact O-N 2.91Å; K383-D386 PolarHBondContact O-N 2.87Å; K383-M387 HydrophobicContact CB-CG 4.1Å; K383-M387 HydrophobicContact CB-SD 3.76Å; K383-M387 HydrophobicContact CD-CG 3.92Å; K383-M387 HydrophobicContact CD-SD 3.79Å; K383-M387 HydrophobicContact CG-CG 3.81Å; K383-M387 HydrophobicContact CG-SD 3.93Å; K383-M387 WeakPolarHBondContact O-CG 3.39Å; K383-M387 PolarHBondContact O-N 3.18Å |
| 384 | A | 83.7 | Confident | 84.2 | Confident | 39 Ų | 39 | 67.3 Ų | 67.3 | 32% | 0.322 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -56.7 | -32.4 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A380 Q381 D386 M395 | A380-A384 WeakPolarHBondContact O-CA 3.27Å; A380-A384 PolarHBondContact O-N 3.41Å; Q381-A384 VanDerWaalsContact O-CB 3.31Å; Q381-A384 WeakPolarHBondContact O-CB 3.37Å; Q381-A384 PolarHBondContact O-N 3.27Å; A384-D386 PolarHBondContact O-N 2.99Å; A384-M395 HydrophobicContact CB-CE 4.06Å; A384-M395 HydrophobicContact CB-SD 3.86Å |
| 385 | A | 80.6 | Confident | 84.1 | Confident | 92 Ų | 92 | 65 Ų | 65 | 76% | 0.76 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -64.7 | -22.6 | 178 | 0 | 0 | 0 | 0 | 0 | 114.3 | K383 | K383-A385 PolarHBondContact O-N 2.91Š|
| 386 | D | 80.3 | Confident | 84.1 | Confident | 50 Ų | 50 | 62.8 Ų | 62.8 | 27% | 0.267 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -118.9 | 5.7 | -176.9 | -70 | -52.3 | 0 | 0 | 0 | 113.8 | K342 T343 K383 A384 | K342-D386 WeakPolarHBondContact CD-OD1 3.45Å; K342-D386 IonicContact NZ-OD1 3.68Å; K342-D386 PolarHBondContact NZ-OD1 3.17Å; T343-D386 VanDerWaalsContact CB-OD2 3.29Å; T343-D386 WeakPolarHBondContact CB-OD2 3.44Å; T343-D386 VanDerWaalsContact CG2-OD2 3.25Å; T343-D386 WeakPolarHBondContact CG2-OD2 3.42Å; T343-D386 PolarHBondContact N-OD2 3.26Å; T343-D386 WeakPolarHBondContact OG1-CB 3.32Å; T343-D386 PolarHBondContact OG1-OD2 3.33Å; K383-D386 PolarHBondContact O-N 2.87Å; A384-D386 PolarHBondContact O-N 2.99Å |
| 387 | M | 79.7 | Confident | 84.1 | Confident | 39 Ų | 39 | 70.1 Ų | 70.1 | 19% | 0.192 | 40% | 0.399 | C | S | . | . | trans | -104 | 137.8 | 179.3 | -72.7 | -173.1 | 70.4 | 0 | 0 | 111.3 | K383 G389 M395 I399 | K383-M387 HydrophobicContact CB-CG 4.1Å; K383-M387 HydrophobicContact CB-SD 3.76Å; K383-M387 HydrophobicContact CD-CG 3.92Å; K383-M387 HydrophobicContact CD-SD 3.79Å; K383-M387 HydrophobicContact CG-CG 3.81Å; K383-M387 HydrophobicContact CG-SD 3.93Å; K383-M387 WeakPolarHBondContact O-CG 3.39Å; K383-M387 PolarHBondContact O-N 3.18Å; M387-G389 PolarHBondContact O-N 3.39Å; M387-M395 HydrophobicContact CB-CG 4.21Å; M387-M395 HydrophobicContact CB-SD 3.99Å; M387-M395 HydrophobicContact CE-CB 4.1Å; M387-M395 HydrophobicContact CE-CG 4.37Å; M387-M395 HydrophobicContact SD-CB 4.32Å; M387-I399 HydrophobicContact CE-CD1 4.37Å; M387-I399 HydrophobicContact CE-CG1 4.14Å; M387-I399 HydrophobicContact SD-CD1 3.9Å; M387-I399 HydrophobicContact SD-CG1 4.16Å | ||
| 388 | T | 74.3 | Confident | 84.1 | Confident | 152 Ų | 152 | 69 Ų | 69 | 93% | 0.933 | 40% | 0.4 | S | S | * | . | trans | -85.2 | 101.7 | 169.3 | -34.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 389 | G | 72.4 | Confident | 84.2 | Confident | 32 Ų | 32 | 63 Ų | 63 | 33% | 0.33 | 37% | 0.373 | S | S | . | . | trans | -159.9 | 135.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | M387 | M387-G389 PolarHBondContact O-N 3.39Š| ||
| 390 | A | 69.6 | Low | 84.2 | Confident | 98 Ų | 98 | 64.6 Ų | 64.6 | 81% | 0.81 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -68.8 | -37.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 391 | D | 85.2 | Confident | 84.2 | Confident | 109 Ų | 109 | 66.3 Ų | 66.3 | 58% | 0.583 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -130.2 | 155.8 | -174.6 | -62.1 | -47.3 | 0 | 0 | 0 | 112.1 | E393 A394 M395 | D391-E393 PolarHBondContact O-N 3.35Å; D391-A394 WeakPolarHBondContact O-CB 3.41Å; D391-A394 PolarHBondContact O-N 3.04Å; D391-M395 PolarHBondContact O-N 3.34Å; D391-M395 VanDerWaalsContact O-N 3.15Å |
| 392 | I | 85.3 | Confident | 84.2 | Confident | 81 Ų | 81 | 63.4 Ų | 63.4 | 42% | 0.415 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -56.7 | -34.9 | 175.6 | -64.3 | 172 | 0 | 0 | 0 | 111.4 | Q377 M395 T396 | Q377-I392 HydrophobicContact CG-CG2 4.14Å; I392-M395 HydrophobicContact CG1-CE 4.18Å; I392-M395 PolarHBondContact O-N 2.98Å; I392-T396 WeakPolarHBondContact O-CB 3.35Å; I392-T396 PolarHBondContact O-N 3.44Å; I392-T396 PolarHBondContact O-OG1 3.45Å |
| 393 | E | 86.6 | Confident | 84.4 | Confident | 112 Ų | 112 | 59.6 Ų | 59.6 | 52% | 0.523 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.8 | -41.5 | 175.7 | -69.9 | -158.6 | 163.7 | 0 | 0 | 113 | D391 M395 T396 R397 | D391-E393 PolarHBondContact O-N 3.35Å; E393-M395 VanDerWaalsContact C-N 3.3Å; E393-M395 PolarHBondContact O-N 3.32Å; E393-T396 WeakPolarHBondContact O-CB 3.37Å; E393-T396 PolarHBondContact O-N 2.92Å; E393-R397 WeakPolarHBondContact O-CG 3.41Å; E393-R397 PolarHBondContact O-N 2.88Å; E393-R397 IonicContact OE2-NH2 3.73Å; E393-R397 PolarHBondContact OE2-NH2 3.47Å; E393-R397 VanDerWaalsContact OE2-NH2 3.12Å |
| 394 | A | 87.2 | Confident | 84.4 | Confident | 32 Ų | 32 | 64.8 Ų | 64.8 | 26% | 0.264 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.7 | -37.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | D391 S398 | D391-A394 WeakPolarHBondContact O-CB 3.41Å; D391-A394 PolarHBondContact O-N 3.04Å; A394-S398 PolarHBondContact O-N 2.93Å; A394-S398 VanDerWaalsContact O-N 3.15Å; A394-S398 PolarHBondContact O-OG 2.79Å |
| 395 | M | 87.4 | Confident | 84.5 | Confident | 19 Ų | 19 | 66.5 Ų | 66.5 | 9% | 0.094 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 172.6 | -66.5 | -171.1 | -92 | 0 | 0 | 111.5 | A380 A384 M387 D391 I392 E393 S398 I399 | A380-M395 HydrophobicContact CB-CB 4.08Å; A384-M395 HydrophobicContact CB-CE 4.06Å; A384-M395 HydrophobicContact CB-SD 3.86Å; M387-M395 HydrophobicContact CB-CG 4.21Å; M387-M395 HydrophobicContact CB-SD 3.99Å; M387-M395 HydrophobicContact CE-CB 4.1Å; M387-M395 HydrophobicContact CE-CG 4.37Å; M387-M395 HydrophobicContact SD-CB 4.32Å; D391-M395 PolarHBondContact O-N 3.34Å; D391-M395 VanDerWaalsContact O-N 3.15Å; I392-M395 HydrophobicContact CG1-CE 4.18Å; I392-M395 PolarHBondContact O-N 2.98Å; E393-M395 VanDerWaalsContact C-N 3.3Å; E393-M395 PolarHBondContact O-N 3.32Å; M395-S398 WeakPolarHBondContact O-CB 3.13Å; M395-S398 PolarHBondContact O-N 2.86Å; M395-I399 PolarHBondContact O-N 3.41Å; M395-I399 VanDerWaalsContact O-N 3.1Å |
| 396 | T | 89.8 | Confident | 84.7 | Confident | 15 Ų | 15 | 63 Ų | 63 | 9% | 0.092 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.8 | -45.3 | 177 | -54.3 | 0 | 0 | 0 | 0 | 111.3 | L376 I392 E393 S398 I399 E400 | L376-T396 HydrophobicContact CB-CG2 4.01Å; I392-T396 WeakPolarHBondContact O-CB 3.35Å; I392-T396 PolarHBondContact O-N 3.44Å; I392-T396 PolarHBondContact O-OG1 3.45Å; E393-T396 WeakPolarHBondContact O-CB 3.37Å; E393-T396 PolarHBondContact O-N 2.92Å; T396-S398 VanDerWaalsContact C-N 3.27Å; T396-S398 PolarHBondContact O-N 3.35Å; T396-I399 PolarHBondContact O-N 2.85Å; T396-E400 WeakPolarHBondContact O-CB 3.26Å; T396-E400 PolarHBondContact O-N 2.86Å |
| 397 | R | 88.2 | Confident | 84.9 | Confident | 156 Ų | 156 | 60.6 Ų | 60.6 | 59% | 0.589 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -60.2 | -35.6 | 175.3 | -69.4 | 178.1 | -140.8 | 159.6 | 5.4 | 112.7 | E393 E400 G401 | E393-R397 WeakPolarHBondContact O-CG 3.41Å; E393-R397 PolarHBondContact O-N 2.88Å; E393-R397 IonicContact OE2-NH2 3.73Å; E393-R397 PolarHBondContact OE2-NH2 3.47Å; E393-R397 VanDerWaalsContact OE2-NH2 3.12Å; R397-E400 WeakPolarHBondContact O-CB 3.26Å; R397-E400 PolarHBondContact O-N 3.29Å; R397-G401 PolarHBondContact O-N 3.32Å |
| 398 | S | 89.2 | Confident | 85.3 | Confident | 63 Ų | 63 | 58.9 Ų | 58.9 | 44% | 0.441 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -68.8 | -40.2 | 178.1 | -60.2 | 0 | 0 | 0 | 0 | 112 | A394 M395 T396 G401 T402 | A394-S398 PolarHBondContact O-N 2.93Å; A394-S398 VanDerWaalsContact O-N 3.15Å; A394-S398 PolarHBondContact O-OG 2.79Å; M395-S398 WeakPolarHBondContact O-CB 3.13Å; M395-S398 PolarHBondContact O-N 2.86Å; T396-S398 VanDerWaalsContact C-N 3.27Å; T396-S398 PolarHBondContact O-N 3.35Å; S398-G401 PolarHBondContact O-N 3.13Å; S398-T402 PolarHBondContact O-N 3.16Å; S398-T402 PolarHBondContact O-OG1 3.39Å |
| 399 | I | 90.6 | Very high | 85.8 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -70.1 | -36.1 | 174.6 | -68.5 | 160.9 | 0 | 0 | 0 | 110.7 | L350 L376 I379 A380 M387 M395 T396 G401 T402 A403 | L350-I399 HydrophobicContact CD1-CG2 4.36Å; L350-I399 HydrophobicContact CD2-CG2 3.95Å; L350-I399 HydrophobicContact CG-CG2 4.35Å; L376-I399 HydrophobicContact CD2-CG2 3.69Å; I379-I399 HydrophobicContact CB-CD1 4.4Å; I379-I399 HydrophobicContact CB-CG2 4.5Å; I379-I399 HydrophobicContact CG2-CD1 3.89Å; I379-I399 HydrophobicContact CG2-CG1 4.5Å; I379-I399 HydrophobicContact CG2-CG2 4.04Å; A380-I399 HydrophobicContact CB-CD1 3.53Å; A380-I399 VanDerWaalsContact N-CD1 3.34Å; M387-I399 HydrophobicContact CE-CD1 4.37Å; M387-I399 HydrophobicContact CE-CG1 4.14Å; M387-I399 HydrophobicContact SD-CD1 3.9Å; M387-I399 HydrophobicContact SD-CG1 4.16Å; M395-I399 PolarHBondContact O-N 3.41Å; M395-I399 VanDerWaalsContact O-N 3.1Å; T396-I399 PolarHBondContact O-N 2.85Å; I399-G401 VanDerWaalsContact C-N 3.32Å; I399-G401 PolarHBondContact O-N 3.47Å; I399-T402 CarbonylContact O-C 3.56Å; I399-T402 WeakPolarHBondContact O-CA 3.48Å; I399-T402 WeakPolarHBondContact O-CB 3.35Å; I399-T402 PolarHBondContact O-N 3.47Å; I399-A403 PolarHBondContact O-N 3.33Å |
| 400 | E | 89.7 | Confident | 86.5 | Confident | 46 Ų | 46 | 54.6 Ų | 54.6 | 22% | 0.215 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.1 | -44 | 173.1 | -159.2 | -166.3 | 161.6 | 0 | 0 | 111.8 | L376 T396 R397 T402 A403 R404 V410 | L376-E400 HydrophobicContact CD1-CB 4.36Å; L376-E400 HydrophobicContact CD1-CG 4.12Å; T396-E400 WeakPolarHBondContact O-CB 3.26Å; T396-E400 PolarHBondContact O-N 2.86Å; R397-E400 WeakPolarHBondContact O-CB 3.26Å; R397-E400 PolarHBondContact O-N 3.29Å; E400-T402 VanDerWaalsContact C-N 3.26Å; E400-T402 PolarHBondContact O-N 3.48Å; E400-A403 WeakPolarHBondContact O-CB 3.25Å; E400-A403 PolarHBondContact O-N 3.44Å; E400-A403 VanDerWaalsContact O-N 3.15Å; E400-R404 WeakPolarHBondContact O-CG 3.47Å; E400-R404 PolarHBondContact O-N 3.18Å; E400-R404 IonicContact OE1-CZ 3.12Å; E400-R404 VanDerWaalsContact OE1-CZ 3.31Å; E400-R404 IonicContact OE1-NE 2.64Å; E400-R404 PolarHBondContact OE1-NE 2.86Å; E400-R404 IonicContact OE1-NH2 2.8Å; E400-R404 PolarHBondContact OE1-NH2 2.95Å; E400-R404 IonicContact OE2-NH2 3.23Å; E400-V410 HydrophobicContact CG-CG1 4.48Å; E400-V410 HydrophobicContact CG-CG2 3.82Å |
| 401 | G | 88.4 | Confident | 87.2 | Confident | 37 Ų | 37 | 54.2 Ų | 54.2 | 38% | 0.381 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.3 | -38.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | R397 S398 I399 S405 | R397-G401 PolarHBondContact O-N 3.32Å; S398-G401 PolarHBondContact O-N 3.13Å; I399-G401 VanDerWaalsContact C-N 3.32Å; I399-G401 PolarHBondContact O-N 3.47Å; G401-S405 PolarHBondContact O-N 3.01Å; G401-S405 VanDerWaalsContact O-N 3.12Å |
| 402 | T | 88.5 | Confident | 86.8 | Confident | 45 Ų | 45 | 57.7 Ų | 57.7 | 28% | 0.276 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -69.7 | -37.9 | 175.3 | -51.2 | 0 | 0 | 0 | 0 | 111.9 | A346 L350 S398 I399 E400 S405 M406 | A346-T402 HydrophobicContact CB-CG2 4.19Å; L350-T402 HydrophobicContact CD1-CG2 3.83Å; S398-T402 PolarHBondContact O-N 3.16Å; S398-T402 PolarHBondContact O-OG1 3.39Å; I399-T402 CarbonylContact O-C 3.56Å; I399-T402 WeakPolarHBondContact O-CA 3.48Å; I399-T402 WeakPolarHBondContact O-CB 3.35Å; I399-T402 PolarHBondContact O-N 3.47Å; E400-T402 VanDerWaalsContact C-N 3.26Å; E400-T402 PolarHBondContact O-N 3.48Å; T402-S405 PolarHBondContact O-N 3.03Å; T402-S405 PolarHBondContact O-OG 3.05Å; T402-M406 WeakPolarHBondContact O-CG 3.36Å; T402-M406 PolarHBondContact O-N 3.5Å |
| 403 | A | 88.7 | Confident | 86.9 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.2 | -43.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L350 I371 L376 I399 E400 S405 M406 G407 L408 | L350-A403 HydrophobicContact CD1-CB 4.05Å; L350-A403 HydrophobicContact CD2-CB 4.04Å; I371-A403 HydrophobicContact CG2-CB 4.41Å; L376-A403 HydrophobicContact CD2-CB 4.28Å; I399-A403 PolarHBondContact O-N 3.33Å; E400-A403 WeakPolarHBondContact O-CB 3.25Å; E400-A403 PolarHBondContact O-N 3.44Å; E400-A403 VanDerWaalsContact O-N 3.15Å; A403-S405 PolarHBondContact O-N 2.98Å; A403-M406 PolarHBondContact O-N 2.94Å; A403-G407 PolarHBondContact O-N 2.83Å; A403-L408 HydrophobicContact CB-CB 4.16Å; A403-L408 HydrophobicContact CB-CD1 4.22Å; A403-L408 WeakPolarHBondContact O-CB 3.45Å; A403-L408 PolarHBondContact O-N 3.44Å |
| 404 | R | 86.5 | Confident | 86.9 | Confident | 143 Ų | 143 | 53.6 Ų | 53.6 | 54% | 0.54 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 176.7 | -69.8 | 178.8 | -170.4 | 172.2 | -1.4 | 112.3 | E400 M406 G407 | E400-R404 WeakPolarHBondContact O-CG 3.47Å; E400-R404 PolarHBondContact O-N 3.18Å; E400-R404 IonicContact OE1-CZ 3.12Å; E400-R404 VanDerWaalsContact OE1-CZ 3.31Å; E400-R404 IonicContact OE1-NE 2.64Å; E400-R404 PolarHBondContact OE1-NE 2.86Å; E400-R404 IonicContact OE1-NH2 2.8Å; E400-R404 PolarHBondContact OE1-NH2 2.95Å; E400-R404 IonicContact OE2-NH2 3.23Å; R404-M406 PolarHBondContact O-N 3.37Å; R404-G407 PolarHBondContact O-N 3.37Å |
| 405 | S | 86.7 | Confident | 86.9 | Confident | 74 Ų | 74 | 54.8 Ų | 54.8 | 52% | 0.517 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68.4 | -18.9 | 177.4 | 72.2 | 0 | 0 | 0 | 0 | 113.3 | P363 G401 T402 A403 | P363-S405 VanDerWaalsContact CB-O 3.26Å; P363-S405 WeakPolarHBondContact CB-O 3.26Å; P363-S405 WeakPolarHBondContact CG-O 3.48Å; G401-S405 PolarHBondContact O-N 3.01Å; G401-S405 VanDerWaalsContact O-N 3.12Å; T402-S405 PolarHBondContact O-N 3.03Å; T402-S405 PolarHBondContact O-OG 3.05Å; A403-S405 PolarHBondContact O-N 2.98Å |
| 406 | M | 84.7 | Confident | 86.8 | Confident | 19 Ų | 19 | 56.9 Ų | 56.9 | 9% | 0.094 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -86.7 | -10.7 | 171.7 | -72.3 | -172 | 59.4 | 0 | 0 | 114.2 | A347 L350 K351 I356 S360 V368 T402 A403 R404 | A347-M406 HydrophobicContact CB-SD 3.66Å; L350-M406 HydrophobicContact CB-SD 4.33Å; L350-M406 HydrophobicContact CD1-SD 4.26Å; K351-M406 HydrophobicContact CD-CE 4.27Å; K351-M406 HydrophobicContact CG-CE 3.61Å; I356-M406 HydrophobicContact CD1-CE 4.14Å; S360-M406 WeakPolarHBondContact CB-O 2.91Å; S360-M406 PolarHBondContact N-O 3.03Å; V368-M406 VanDerWaalsContact CG2-O 3.3Å; V368-M406 WeakPolarHBondContact CG2-O 3.49Å; T402-M406 WeakPolarHBondContact O-CG 3.36Å; T402-M406 PolarHBondContact O-N 3.5Å; A403-M406 PolarHBondContact O-N 2.94Å; R404-M406 PolarHBondContact O-N 3.37Å |
| 407 | G | 85.3 | Confident | 86.6 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | 23.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | K367 V368 A403 R404 | K367-G407 CarbonylContact C-O 3.54Å; K367-G407 VanDerWaalsContact CA-O 3.22Å; K367-G407 WeakPolarHBondContact CA-O 3.48Å; K367-G407 WeakPolarHBondContact CD-O 3.38Å; V368-G407 PolarHBondContact N-O 3.26Å; A403-G407 PolarHBondContact O-N 2.83Å; R404-G407 PolarHBondContact O-N 3.37Å |
| 408 | L | 86.7 | Confident | 86.5 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 142.2 | 170.8 | -64.3 | 172.9 | 0 | 0 | 0 | 110.7 | L350 A354 I356 V368 G369 I371 A403 | L350-L408 HydrophobicContact CB-CD1 4.1Å; L350-L408 HydrophobicContact CD2-CD1 4.45Å; A354-L408 HydrophobicContact CB-CD1 4.16Å; A354-L408 HydrophobicContact CB-CD2 3.71Å; I356-L408 HydrophobicContact CD1-CD2 3.85Å; I356-L408 HydrophobicContact CD1-CG 4.44Å; V368-L408 HydrophobicContact CG2-CD2 4.4Å; G369-L408 WeakPolarHBondContact O-CA 3.22Å; I371-L408 HydrophobicContact CG2-CB 4.41Å; A403-L408 HydrophobicContact CB-CB 4.16Å; A403-L408 HydrophobicContact CB-CD1 4.22Å; A403-L408 WeakPolarHBondContact O-CB 3.45Å; A403-L408 PolarHBondContact O-N 3.44Å |
| 409 | V | 85.9 | Confident | 86.4 | Confident | 56 Ų | 56 | 52.4 Ų | 52.4 | 34% | 0.339 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 128.6 | 171.4 | -179.2 | 0 | 0 | 0 | 0 | 108.3 | K367 G369 K370 I371 | K367-V409 HydrophobicContact CB-CG2 4.02Å; K367-V409 HydrophobicContact CD-CG2 3.92Å; K367-V409 HydrophobicContact CG-CG2 3.79Å; G369-V409 PolarHBondContact O-N 2.97Å; K370-V409 CarbonylContact C-O 3.56Å; K370-V409 VanDerWaalsContact CA-O 3.28Å; K370-V409 WeakPolarHBondContact CA-O 3.34Å; K370-V409 HydrophobicContact CG-CB 4.34Å; I371-V409 PolarHBondContact N-O 3.13Å |
| 410 | V | 86.6 | Confident | 86 | Confident | 39 Ų | 39 | 56.4 Ų | 56.4 | 24% | 0.236 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 121.6 | 178.6 | -176.5 | 0 | 0 | 0 | 0 | 107.8 | I371 L376 E400 | I371-V410 HydrophobicContact CG2-CG2 4.2Å; I371-V410 WeakPolarHBondContact O-CA 3.31Å; L376-V410 HydrophobicContact CD1-CG1 3.64Å; L376-V410 HydrophobicContact CD1-CG2 4.11Å; E400-V410 HydrophobicContact CG-CG1 4.48Å; E400-V410 HydrophobicContact CG-CG2 3.82Å |
| 411 | E | 83.8 | Confident | 85.7 | Confident | 90 Ų | 90 | 57.3 Ų | 57.3 | 42% | 0.421 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 142 | 172.6 | -65.4 | -174.7 | 156.8 | 0 | 0 | 108.8 | K370 I371 S372 R373 | K370-E411 VanDerWaalsContact CD-OE1 3.27Å; K370-E411 WeakPolarHBondContact CD-OE1 3.37Å; K370-E411 WeakPolarHBondContact CE-OE1 3.39Å; K370-E411 IonicContact NZ-OE1 3.31Å; K370-E411 PolarHBondContact NZ-OE1 3.03Å; K370-E411 IonicContact NZ-OE2 3.97Å; I371-E411 PolarHBondContact O-N 3.36Å; S372-E411 CarbonylContact C-O 3.55Å; S372-E411 WeakPolarHBondContact CA-O 3.23Å; R373-E411 PolarHBondContact N-O 3.45Å |
| 412 | D | 77.1 | Confident | 85.5 | Confident | 182 Ų | 182 | 59.1 Ų | 59.1 | 97% | 0.973 | 31% | 0.31 | S | S | * | . | trans | -67.8 | 0 | -178.2 | -76.3 | -49.8 | 0 | 0 | 0 | 113 |
Retrieved 412 of 412 residues in 810.9 ms
(Link to these results)