| 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 | 51.4 | Low | 61.4 | Low | 241 Ų | 241 | 126.4 Ų | 126.4 | 100% | 1.187 | 68% | 0.679 | S | S | * | * | 0 | 48.4 | 0 | -70.2 | 171.1 | 168.5 | 0 | 0 | 112.1 | |||||
| 2 | T | 54.3 | Low | 62.9 | Low | 125 Ų | 125 | 126.8 Ų | 126.8 | 77% | 0.767 | 67% | 0.673 | S | S | * | * | trans | -119.2 | 0 | -173.1 | 47.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 3 | V | 56.9 | Low | 64.3 | Low | 107 Ų | 107 | 128.3 Ų | 128.3 | 65% | 0.648 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -75.7 | -36.5 | -176.7 | -178.6 | 0 | 0 | 0 | 0 | 111.8 | G5 R6 | V3-G5 VanDerWaalsContact C-N 3.31Å; V3-G5 PolarHBondContact O-N 3.26Å; V3-R6 PolarHBondContact O-N 3.39Å |
| 4 | S | 55.4 | Low | 65.3 | Low | 90 Ų | 90 | 122 Ų | 122 | 63% | 0.629 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -63.8 | -29.3 | -177.5 | -179.6 | 0 | 0 | 0 | 0 | 114.2 | R6 T8 | S4-R6 PolarHBondContact O-N 3.27Å; S4-T8 WeakPolarHBondContact O-CG2 3.44Å; S4-T8 PolarHBondContact O-OG1 3.46Å |
| 5 | G | 56.4 | Low | 66.5 | Low | 42 Ų | 42 | 124.6 Ų | 124.6 | 43% | 0.433 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -78.8 | -13.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | V3 T8 K9 | V3-G5 VanDerWaalsContact C-N 3.31Å; V3-G5 PolarHBondContact O-N 3.26Å; G5-T8 PolarHBondContact O-OG1 2.94Å; G5-K9 WeakPolarHBondContact O-CG 3.29Å |
| 6 | R | 60 | Low | 67.9 | Low | 215 Ų | 215 | 122.9 Ų | 122.9 | 81% | 0.811 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -90.3 | -36.9 | -178.8 | -135.1 | 178.9 | -163.3 | 174.1 | 4.3 | 111.5 | V3 S4 G10 | V3-R6 PolarHBondContact O-N 3.39Å; S4-R6 PolarHBondContact O-N 3.27Å; R6-G10 PolarHBondContact O-N 3.24Å |
| 7 | E | 62 | Low | 69.1 | Low | 146 Ų | 146 | 121.1 Ų | 121.1 | 68% | 0.682 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -68.2 | -42 | 176.7 | -68.3 | -173.8 | 151.1 | 0 | 0 | 112.3 | K9 G10 H11 | E7-K9 PolarHBondContact O-N 3.49Å; E7-G10 PolarHBondContact O-N 3.24Å; E7-H11 PolarHBondContact O-N 3.02Å |
| 8 | T | 67.4 | Low | 70 | Confident | 79 Ų | 79 | 120.3 Ų | 120.3 | 49% | 0.485 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -64 | -40.1 | 178.2 | 52 | 0 | 0 | 0 | 0 | 112.5 | S4 G5 H11 Q12 | S4-T8 WeakPolarHBondContact O-CG2 3.44Å; S4-T8 PolarHBondContact O-OG1 3.46Å; G5-T8 PolarHBondContact O-OG1 2.94Å; T8-H11 PolarHBondContact O-N 3.28Å; T8-Q12 VanDerWaalsContact O-CB 3.29Å; T8-Q12 WeakPolarHBondContact O-CB 3.38Å; T8-Q12 PolarHBondContact O-N 3.01Å |
| 9 | K | 68.3 | Low | 71 | Confident | 154 Ų | 154 | 120.3 Ų | 120.3 | 67% | 0.67 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -65.2 | -38.9 | 175.2 | -75.6 | -175 | 178.9 | -173.8 | 0 | 112.9 | G5 E7 K13 | G5-K9 WeakPolarHBondContact O-CG 3.29Å; E7-K9 PolarHBondContact O-N 3.49Å; K9-K13 WeakPolarHBondContact O-CB 3.41Å; K9-K13 PolarHBondContact O-N 3.5Å |
| 10 | G | 71.7 | Confident | 71.9 | Confident | 47 Ų | 47 | 119.6 Ų | 119.6 | 49% | 0.485 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -65.1 | -44.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R6 E7 Q12 K13 G14 | R6-G10 PolarHBondContact O-N 3.24Å; E7-G10 PolarHBondContact O-N 3.24Å; G10-Q12 PolarHBondContact O-N 3.04Å; G10-K13 PolarHBondContact O-N 2.99Å; G10-G14 PolarHBondContact O-N 3.44Å |
| 11 | H | 71.1 | Confident | 72.6 | Confident | 144 Ų | 144 | 120 Ų | 120 | 67% | 0.667 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -65.2 | -39.7 | 178 | -142.6 | 79 | 0 | 0 | 0 | 112.2 | E7 T8 R15 | E7-H11 PolarHBondContact O-N 3.02Å; T8-H11 PolarHBondContact O-N 3.28Å; H11-R15 WeakPolarHBondContact O-CB 3.47Å; H11-R15 PolarHBondContact O-N 3.39Å |
| 12 | Q | 79.5 | Confident | 74.4 | Confident | 132 Ų | 132 | 112.9 Ų | 112.9 | 62% | 0.617 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -68.1 | -40.6 | 176.9 | -169.5 | 173.5 | -1 | 0 | 0 | 112.2 | T8 G10 R15 L16 | T8-Q12 VanDerWaalsContact O-CB 3.29Å; T8-Q12 WeakPolarHBondContact O-CB 3.38Å; T8-Q12 PolarHBondContact O-N 3.01Å; G10-Q12 PolarHBondContact O-N 3.04Å; Q12-R15 PolarHBondContact O-N 3.03Å; Q12-L16 PolarHBondContact O-N 3.45Å |
| 13 | K | 81.3 | Confident | 76.1 | Confident | 146 Ų | 146 | 109.8 Ų | 109.8 | 64% | 0.635 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64.7 | -43.5 | 175.5 | -171.6 | 177.3 | 174.7 | -178.1 | 0 | 111.7 | K9 G10 L16 L17 | K9-K13 WeakPolarHBondContact O-CB 3.41Å; K9-K13 PolarHBondContact O-N 3.5Å; G10-K13 PolarHBondContact O-N 2.99Å; K13-L16 PolarHBondContact O-N 3.4Å; K13-L17 HydrophobicContact CG-CD1 4.38Å; K13-L17 WeakPolarHBondContact O-CG 3.47Å; K13-L17 PolarHBondContact O-N 3.02Å |
| 14 | G | 78.6 | Confident | 77.6 | Confident | 40 Ų | 40 | 110.8 Ų | 110.8 | 41% | 0.412 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62 | -42.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G10 L16 L17 L18 | G10-G14 PolarHBondContact O-N 3.44Å; G14-L16 VanDerWaalsContact C-N 3.34Å; G14-L16 PolarHBondContact O-N 3.35Å; G14-L17 PolarHBondContact O-N 2.97Å; G14-L18 WeakPolarHBondContact O-CB 3.31Å; G14-L18 PolarHBondContact O-N 3.01Å |
| 15 | R | 83.9 | Confident | 79.2 | Confident | 161 Ų | 161 | 107.6 Ų | 107.6 | 61% | 0.608 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.1 | -40.8 | 174.4 | -175.6 | 179.8 | -77.5 | -167.2 | -4 | 112.1 | H11 Q12 Q19 | H11-R15 WeakPolarHBondContact O-CB 3.47Å; H11-R15 PolarHBondContact O-N 3.39Å; Q12-R15 PolarHBondContact O-N 3.03Å; R15-Q19 VanDerWaalsContact O-CG 3.31Å; R15-Q19 WeakPolarHBondContact O-CG 3.36Å; R15-Q19 PolarHBondContact O-N 3.04Å |
| 16 | L | 88.1 | Confident | 80.8 | Confident | 98 Ų | 98 | 108 Ų | 108 | 51% | 0.513 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.5 | -41.9 | 179.6 | -147.2 | 98.3 | 0 | 0 | 0 | 112 | Q12 K13 G14 Q19 L20 | Q12-L16 PolarHBondContact O-N 3.45Å; K13-L16 PolarHBondContact O-N 3.4Å; G14-L16 VanDerWaalsContact C-N 3.34Å; G14-L16 PolarHBondContact O-N 3.35Å; L16-Q19 PolarHBondContact O-N 3.19Å; L16-L20 HydrophobicContact CD2-CD1 4.27Å; L16-L20 WeakPolarHBondContact O-CD1 3.5Å; L16-L20 WeakPolarHBondContact O-CG 3.43Å; L16-L20 PolarHBondContact O-N 3.41Å |
| 17 | L | 87.8 | Confident | 82.4 | Confident | 91 Ų | 91 | 100.5 Ų | 100.5 | 48% | 0.476 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64 | -44.5 | 176.9 | -69.6 | 173.2 | 0 | 0 | 0 | 111.4 | K13 G14 Q19 L20 E21 | K13-L17 HydrophobicContact CG-CD1 4.38Å; K13-L17 WeakPolarHBondContact O-CG 3.47Å; K13-L17 PolarHBondContact O-N 3.02Å; G14-L17 PolarHBondContact O-N 2.97Å; L17-Q19 VanDerWaalsContact C-N 3.32Å; L17-Q19 PolarHBondContact O-N 3.02Å; L17-L20 WeakPolarHBondContact O-CB 3.49Å; L17-L20 PolarHBondContact O-N 3.43Å; L17-E21 WeakPolarHBondContact O-CG 3.4Å; L17-E21 PolarHBondContact O-N 3.44Å |
| 18 | L | 86.4 | Confident | 83.8 | Confident | 107 Ų | 107 | 93.9 Ų | 93.9 | 56% | 0.56 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.8 | -41 | 175.5 | -175 | 68.6 | 0 | 0 | 0 | 112 | G14 E21 V22 | G14-L18 WeakPolarHBondContact O-CB 3.31Å; G14-L18 PolarHBondContact O-N 3.01Å; L18-E21 PolarHBondContact O-N 3.46Å; L18-V22 VanDerWaalsContact O-CG2 3.28Å; L18-V22 WeakPolarHBondContact O-CG2 3.25Å; L18-V22 PolarHBondContact O-N 3.26Å |
| 19 | Q | 89.1 | Confident | 84.9 | Confident | 121 Ų | 121 | 92.7 Ų | 92.7 | 57% | 0.565 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.8 | -39.7 | 176 | -75.7 | 177.7 | -26.2 | 0 | 0 | 112.4 | R15 L16 L17 A23 | R15-Q19 VanDerWaalsContact O-CG 3.31Å; R15-Q19 WeakPolarHBondContact O-CG 3.36Å; R15-Q19 PolarHBondContact O-N 3.04Å; L16-Q19 PolarHBondContact O-N 3.19Å; L17-Q19 VanDerWaalsContact C-N 3.32Å; L17-Q19 PolarHBondContact O-N 3.02Å; Q19-A23 VanDerWaalsContact O-CB 3.25Å; Q19-A23 WeakPolarHBondContact O-CB 3.42Å; Q19-A23 PolarHBondContact O-N 2.95Å |
| 20 | L | 89.3 | Confident | 86.1 | Confident | 105 Ų | 105 | 89.4 Ų | 89.4 | 55% | 0.55 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.7 | -43.6 | 175.7 | -80 | 157.3 | 0 | 0 | 0 | 111.6 | L16 L17 A23 W24 | L16-L20 HydrophobicContact CD2-CD1 4.27Å; L16-L20 WeakPolarHBondContact O-CD1 3.5Å; L16-L20 WeakPolarHBondContact O-CG 3.43Å; L16-L20 PolarHBondContact O-N 3.41Å; L17-L20 WeakPolarHBondContact O-CB 3.49Å; L17-L20 PolarHBondContact O-N 3.43Å; L20-A23 PolarHBondContact O-N 2.95Å; L20-W24 VanDerWaalsContact O-CB 3.27Å; L20-W24 WeakPolarHBondContact O-CB 3.28Å; L20-W24 PolarHBondContact O-N 2.92Å |
| 21 | E | 86.6 | Confident | 87.1 | Confident | 128 Ų | 128 | 88.9 Ų | 88.9 | 60% | 0.598 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -63.6 | -44 | 177.4 | -73.7 | -179.5 | 176.1 | 0 | 0 | 112.2 | L17 L18 W24 A25 | L17-E21 WeakPolarHBondContact O-CG 3.4Å; L17-E21 PolarHBondContact O-N 3.44Å; L18-E21 PolarHBondContact O-N 3.46Å; E21-W24 PolarHBondContact O-N 2.92Å; E21-A25 WeakPolarHBondContact O-CB 3.37Å; E21-A25 PolarHBondContact O-N 2.89Å |
| 22 | V | 88 | Confident | 88.1 | Confident | 93 Ų | 93 | 82 Ų | 82 | 56% | 0.564 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -65.4 | -42.9 | 176.7 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | L18 A25 A26 | L18-V22 VanDerWaalsContact O-CG2 3.28Å; L18-V22 WeakPolarHBondContact O-CG2 3.25Å; L18-V22 PolarHBondContact O-N 3.26Å; V22-A25 PolarHBondContact O-N 2.97Å; V22-A26 WeakPolarHBondContact O-CB 3.19Å; V22-A26 PolarHBondContact O-N 3.41Å |
| 23 | A | 91.4 | Very high | 88.5 | Confident | 59 Ų | 59 | 80.4 Ų | 80.4 | 49% | 0.488 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.5 | -41.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q19 L20 A27 | Q19-A23 VanDerWaalsContact O-CB 3.25Å; Q19-A23 WeakPolarHBondContact O-CB 3.42Å; Q19-A23 PolarHBondContact O-N 2.95Å; L20-A23 PolarHBondContact O-N 2.95Å; A23-A27 WeakPolarHBondContact O-CB 3.27Å; A23-A27 PolarHBondContact O-N 3.41Å |
| 24 | W | 88.1 | Confident | 89 | Confident | 128 Ų | 128 | 78.5 Ų | 78.5 | 49% | 0.485 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59.4 | -51.7 | 173.3 | 156 | -100.7 | 0 | 0 | 0 | 111.6 | L20 E21 A26 A27 C28 | L20-W24 VanDerWaalsContact O-CB 3.27Å; L20-W24 WeakPolarHBondContact O-CB 3.28Å; L20-W24 PolarHBondContact O-N 2.92Å; E21-W24 PolarHBondContact O-N 2.92Å; W24-A26 VanDerWaalsContact C-N 3.34Å; W24-A26 PolarHBondContact O-N 3.33Å; W24-A27 WeakPolarHBondContact O-CB 3.41Å; W24-A27 PolarHBondContact O-N 3.31Å; W24-A27 VanDerWaalsContact O-N 3.14Å; W24-C28 VanDerWaalsContact CE2-SG 3.59Å; W24-C28 WeakPolarHBondContact CZ2-SG 3.3Å; W24-C28 PolarHBondContact O-N 2.96Å; W24-C28 PolarHBondContact O-SG 3.31Å |
| 25 | A | 87.8 | Confident | 89.6 | Confident | 23 Ų | 23 | 80 Ų | 80 | 19% | 0.19 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -58.8 | -48.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | E21 V22 A27 C28 Y29 | E21-A25 WeakPolarHBondContact O-CB 3.37Å; E21-A25 PolarHBondContact O-N 2.89Å; V22-A25 PolarHBondContact O-N 2.97Å; A25-A27 VanDerWaalsContact C-N 3.3Å; A25-A27 PolarHBondContact O-N 3.14Å; A25-C28 WeakPolarHBondContact O-CB 3.45Å; A25-C28 PolarHBondContact O-N 3.41Å; A25-C28 VanDerWaalsContact O-N 3.08Å; A25-Y29 WeakPolarHBondContact O-CD2 3.44Å; A25-Y29 PolarHBondContact O-N 3.08Å |
| 26 | A | 91.1 | Very high | 89.7 | Confident | 50 Ų | 50 | 72.4 Ų | 72.4 | 41% | 0.413 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -56.7 | -42.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V22 W24 C28 Y29 V30 | V22-A26 WeakPolarHBondContact O-CB 3.19Å; V22-A26 PolarHBondContact O-N 3.41Å; W24-A26 VanDerWaalsContact C-N 3.34Å; W24-A26 PolarHBondContact O-N 3.33Å; A26-C28 VanDerWaalsContact C-N 3.33Å; A26-C28 PolarHBondContact O-N 3.05Å; A26-Y29 PolarHBondContact O-N 2.87Å; A26-V30 VanDerWaalsContact O-CG2 3.3Å; A26-V30 WeakPolarHBondContact O-CG2 3.27Å; A26-V30 PolarHBondContact O-N 3.41Å |
| 27 | A | 92.8 | Very high | 89.5 | Confident | 59 Ų | 59 | 69.2 Ų | 69.2 | 49% | 0.488 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.2 | -40.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A23 W24 A25 V30 A31 | A23-A27 WeakPolarHBondContact O-CB 3.27Å; A23-A27 PolarHBondContact O-N 3.41Å; W24-A27 WeakPolarHBondContact O-CB 3.41Å; W24-A27 PolarHBondContact O-N 3.31Å; W24-A27 VanDerWaalsContact O-N 3.14Å; A25-A27 VanDerWaalsContact C-N 3.3Å; A25-A27 PolarHBondContact O-N 3.14Å; A27-V30 PolarHBondContact O-N 2.98Å; A27-A31 VanDerWaalsContact O-CB 3.28Å; A27-A31 WeakPolarHBondContact O-CB 3.29Å; A27-A31 PolarHBondContact O-N 3.01Å |
| 28 | C | 91.7 | Very high | 89.5 | Confident | 6 Ų | 6 | 70.7 Ų | 70.7 | 4% | 0.041 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.5 | -45.8 | 175.5 | -69.5 | 0 | 0 | 0 | 0 | 112.7 | W24 A25 A26 V30 A31 L32 M128 F143 | W24-C28 VanDerWaalsContact CE2-SG 3.59Å; W24-C28 WeakPolarHBondContact CZ2-SG 3.3Å; W24-C28 PolarHBondContact O-N 2.96Å; W24-C28 PolarHBondContact O-SG 3.31Å; A25-C28 WeakPolarHBondContact O-CB 3.45Å; A25-C28 PolarHBondContact O-N 3.41Å; A25-C28 VanDerWaalsContact O-N 3.08Å; A26-C28 VanDerWaalsContact C-N 3.33Å; A26-C28 PolarHBondContact O-N 3.05Å; C28-V30 PolarHBondContact O-N 3.33Å; C28-A31 PolarHBondContact O-N 3.46Å; C28-L32 WeakPolarHBondContact O-CG 3.47Å; C28-L32 PolarHBondContact O-N 3.47Å; C28-M128 HydrophobicContact CB-CE 3.71Å; C28-M128 HydrophobicContact CB-SD 4.31Å; C28-F143 HydrophobicContact CB-CD2 3.78Å; C28-F143 HydrophobicContact CB-CE2 4.04Å |
| 29 | Y | 91.4 | Very high | 89.4 | Confident | 55 Ų | 55 | 68.7 Ų | 68.7 | 22% | 0.216 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 177.1 | -78.9 | -81.7 | 0 | 0 | 0 | 111.7 | A25 A26 L32 F33 C125 M128 Y129 E132 | A25-Y29 WeakPolarHBondContact O-CD2 3.44Å; A25-Y29 PolarHBondContact O-N 3.08Å; A26-Y29 PolarHBondContact O-N 2.87Å; Y29-L32 PolarHBondContact O-N 3.49Å; Y29-F33 WeakPolarHBondContact O-CB 3.44Å; Y29-F33 PolarHBondContact O-N 3.46Å; Y29-C125 HydrophobicContact CD1-CB 4.03Å; Y29-C125 HydrophobicContact CE1-CB 4.21Å; Y29-C125 WeakPolarHBondContact CE1-O 3.47Å; Y29-M128 HydrophobicContact CE1-CB 4.02Å; Y29-M128 HydrophobicContact CE1-CG 4.15Å; Y29-M128 HydrophobicContact CE1-SD 4.33Å; Y29-M128 HydrophobicContact CE2-SD 4.43Å; Y29-Y129 VanDerWaalsContact OH-CA 3.24Å; Y29-Y129 WeakPolarHBondContact OH-CA 3.28Å; Y29-Y129 PolarHBondContact OH-N 2.97Å; Y29-E132 PolarHBondContact OH-OE2 3.27Å |
| 30 | V | 93.3 | Very high | 89 | Confident | 84 Ų | 84 | 63.4 Ų | 63.4 | 51% | 0.509 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.5 | -44.2 | 176.1 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | A26 A27 C28 L32 F33 L34 | A26-V30 VanDerWaalsContact O-CG2 3.3Å; A26-V30 WeakPolarHBondContact O-CG2 3.27Å; A26-V30 PolarHBondContact O-N 3.41Å; A27-V30 PolarHBondContact O-N 2.98Å; C28-V30 PolarHBondContact O-N 3.33Å; V30-L32 PolarHBondContact O-N 2.95Å; V30-F33 PolarHBondContact O-N 3.43Å; V30-L34 HydrophobicContact CG1-CD1 3.84Å; V30-L34 HydrophobicContact CG1-CG 4.29Å; V30-L34 WeakPolarHBondContact O-CB 3.46Å; V30-L34 VanDerWaalsContact O-CG 3.29Å; V30-L34 WeakPolarHBondContact O-CG 3.26Å; V30-L34 PolarHBondContact O-N 3.5Å |
| 31 | A | 92.7 | Very high | 88.7 | Confident | 36 Ų | 36 | 60.7 Ų | 60.7 | 30% | 0.298 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.5 | -44.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A27 C28 L34 L35 | A27-A31 VanDerWaalsContact O-CB 3.28Å; A27-A31 WeakPolarHBondContact O-CB 3.29Å; A27-A31 PolarHBondContact O-N 3.01Å; C28-A31 PolarHBondContact O-N 3.46Å; A31-L34 PolarHBondContact O-N 2.92Å; A31-L35 WeakPolarHBondContact O-CB 3.34Å; A31-L35 VanDerWaalsContact O-CG 3.27Å; A31-L35 WeakPolarHBondContact O-CG 3.5Å; A31-L35 PolarHBondContact O-N 3.43Å |
| 32 | L | 90.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.8 | -45.8 | 176 | -75.2 | 178.3 | 0 | 0 | 0 | 112.1 | C28 Y29 V30 L34 L35 C36 T124 M128 F143 A146 L147 | C28-L32 WeakPolarHBondContact O-CG 3.47Å; C28-L32 PolarHBondContact O-N 3.47Å; Y29-L32 PolarHBondContact O-N 3.49Å; V30-L32 PolarHBondContact O-N 2.95Å; L32-L34 VanDerWaalsContact C-N 3.34Å; L32-L34 PolarHBondContact O-N 2.89Å; L32-L35 PolarHBondContact O-N 3.25Å; L32-C36 WeakPolarHBondContact O-CB 3.5Å; L32-C36 PolarHBondContact O-N 3.29Å; L32-T124 HydrophobicContact CB-CG2 4.39Å; L32-T124 HydrophobicContact CD1-CG2 4.35Å; L32-M128 HydrophobicContact CD1-CB 4.09Å; L32-M128 HydrophobicContact CD1-CG 4.27Å; L32-M128 HydrophobicContact CD1-SD 3.29Å; L32-M128 WeakPolarHBondContact CD1-SD 3.24Å; L32-M128 HydrophobicContact CG-SD 4.45Å; L32-F143 HydrophobicContact CD1-CD2 4.24Å; L32-F143 HydrophobicContact CD1-CE2 4.39Å; L32-F143 HydrophobicContact CD2-CD2 4.34Å; L32-F143 HydrophobicContact CD2-CE2 3.93Å; L32-F143 HydrophobicContact CD2-CZ 4.48Å; L32-F143 HydrophobicContact CG-CD2 4.13Å; L32-F143 HydrophobicContact CG-CE2 3.79Å; L32-A146 HydrophobicContact CD1-CB 3.76Å; L32-L147 HydrophobicContact CD2-CB 3.81Å; L32-L147 HydrophobicContact CD2-CD1 3.94Å |
| 33 | F | 89.5 | Confident | 88 | Confident | 99 Ų | 99 | 57.4 Ų | 57.4 | 43% | 0.434 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.8 | -45.7 | 179 | -179.4 | -91.3 | 0 | 0 | 0 | 111.7 | Y29 V30 S37 C121 | Y29-F33 WeakPolarHBondContact O-CB 3.44Å; Y29-F33 PolarHBondContact O-N 3.46Å; V30-F33 PolarHBondContact O-N 3.43Å; F33-S37 VanDerWaalsContact O-CB 3.3Å; F33-S37 WeakPolarHBondContact O-CB 3.29Å; F33-S37 PolarHBondContact O-N 3.32Å; F33-S37 PolarHBondContact O-OG 3.4Å; F33-C121 HydrophobicContact CD2-CB 3.74Å; F33-C121 HydrophobicContact CE2-CB 3.8Å |
| 34 | L | 91.1 | Very high | 87.4 | Confident | 105 Ų | 105 | 56.6 Ų | 56.6 | 55% | 0.55 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.2 | -45.6 | 179.7 | -69.2 | 175.7 | 0 | 0 | 0 | 112.1 | V30 A31 L32 S37 L38 | V30-L34 HydrophobicContact CG1-CD1 3.84Å; V30-L34 HydrophobicContact CG1-CG 4.29Å; V30-L34 WeakPolarHBondContact O-CB 3.46Å; V30-L34 VanDerWaalsContact O-CG 3.29Å; V30-L34 WeakPolarHBondContact O-CG 3.26Å; V30-L34 PolarHBondContact O-N 3.5Å; A31-L34 PolarHBondContact O-N 2.92Å; L32-L34 VanDerWaalsContact C-N 3.34Å; L32-L34 PolarHBondContact O-N 2.89Å; L34-S37 PolarHBondContact O-N 3.41Å; L34-L38 VanDerWaalsContact O-CB 3.26Å; L34-L38 WeakPolarHBondContact O-CB 3.28Å; L34-L38 PolarHBondContact O-N 3.46Å |
| 35 | L | 89.9 | Confident | 87 | Confident | 73 Ų | 73 | 59.9 Ų | 59.9 | 38% | 0.382 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.7 | -45 | 178.5 | -73.9 | 170.1 | 0 | 0 | 0 | 111.3 | A31 L32 L38 C39 L147 | A31-L35 WeakPolarHBondContact O-CB 3.34Å; A31-L35 VanDerWaalsContact O-CG 3.27Å; A31-L35 WeakPolarHBondContact O-CG 3.5Å; A31-L35 PolarHBondContact O-N 3.43Å; L32-L35 PolarHBondContact O-N 3.25Å; L35-L38 PolarHBondContact O-N 3.34Å; L35-C39 WeakPolarHBondContact O-CB 3.41Å; L35-C39 PolarHBondContact O-N 3.23Å; L35-C39 PolarHBondContact O-SG 3.43Å; L35-L147 HydrophobicContact CD1-CD1 3.74Å |
| 36 | C | 85.9 | Confident | 86.5 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.1 | -52.6 | 175 | -175.5 | 0 | 0 | 0 | 0 | 110.8 | L32 L38 C39 Y40 H120 A150 | L32-C36 WeakPolarHBondContact O-CB 3.5Å; L32-C36 PolarHBondContact O-N 3.29Å; C36-L38 VanDerWaalsContact C-N 3.28Å; C36-L38 PolarHBondContact O-N 2.93Å; C36-C39 PolarHBondContact O-N 3.29Å; C36-Y40 VanDerWaalsContact O-CD2 3.23Å; C36-Y40 WeakPolarHBondContact O-CD2 3.48Å; C36-Y40 PolarHBondContact O-N 3.21Å; C36-H120 PolarHBondContact SG-CD2 2.92Å; C36-A150 HydrophobicContact CB-CB 4.28Å |
| 37 | S | 85.2 | Confident | 86.1 | Confident | 32 Ų | 32 | 65.2 Ų | 65.2 | 22% | 0.224 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.8 | -38.8 | 178.8 | -60.4 | 0 | 0 | 0 | 0 | 112.6 | F33 L34 Y40 S41 | F33-S37 VanDerWaalsContact O-CB 3.3Å; F33-S37 WeakPolarHBondContact O-CB 3.29Å; F33-S37 PolarHBondContact O-N 3.32Å; F33-S37 PolarHBondContact O-OG 3.4Å; L34-S37 PolarHBondContact O-N 3.41Å; S37-Y40 CarbonylContact O-C 3.6Å; S37-S41 WeakPolarHBondContact O-CA 3.26Å; S37-S41 WeakPolarHBondContact O-CB 3.25Å; S37-S41 PolarHBondContact O-N 3Å |
| 38 | L | 88 | Confident | 85.5 | Confident | 121 Ų | 121 | 63.3 Ų | 63.3 | 63% | 0.634 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -69.9 | -41.7 | 178.6 | -175.3 | 65.8 | 0 | 0 | 0 | 112.2 | L34 L35 C36 Y40 S41 | L34-L38 VanDerWaalsContact O-CB 3.26Å; L34-L38 WeakPolarHBondContact O-CB 3.28Å; L34-L38 PolarHBondContact O-N 3.46Å; L35-L38 PolarHBondContact O-N 3.34Å; C36-L38 VanDerWaalsContact C-N 3.28Å; C36-L38 PolarHBondContact O-N 2.93Å; L38-Y40 PolarHBondContact O-N 3.43Å; L38-S41 PolarHBondContact O-N 3.1Å; L38-S41 PolarHBondContact O-OG 3.31Å; L38-S41 VanDerWaalsContact O-OG 3.07Å |
| 39 | C | 83.3 | Confident | 84.8 | Confident | 66 Ų | 66 | 66.1 Ų | 66.1 | 45% | 0.446 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.1 | -34.2 | 177.6 | -74.7 | 0 | 0 | 0 | 0 | 112.2 | L35 C36 | L35-C39 WeakPolarHBondContact O-CB 3.41Å; L35-C39 PolarHBondContact O-N 3.23Å; L35-C39 PolarHBondContact O-SG 3.43Å; C36-C39 PolarHBondContact O-N 3.29Å |
| 40 | Y | 80.6 | Confident | 84.3 | Confident | 9 Ų | 9 | 70.5 Ų | 70.5 | 4% | 0.035 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 7.1 | -179 | -60.8 | -76.4 | 0 | 0 | 0 | 114 | C36 S37 L38 N42 S43 H120 A150 V159 | C36-Y40 VanDerWaalsContact O-CD2 3.23Å; C36-Y40 WeakPolarHBondContact O-CD2 3.48Å; C36-Y40 PolarHBondContact O-N 3.21Å; S37-Y40 CarbonylContact O-C 3.6Å; L38-Y40 PolarHBondContact O-N 3.43Å; Y40-N42 PolarHBondContact O-N 2.79Å; Y40-S43 PolarHBondContact O-N 2.92Å; Y40-S43 PolarHBondContact O-OG 2.93Å; Y40-H120 AromaticContact CD2-CD2 3.74Å; Y40-H120 AromaticContact CE2-CD2 3.21Å; Y40-H120 WeakPolarHBondContact CE2-CD2 3.26Å; Y40-H120 AromaticContact CE2-NE2 3.34Å; Y40-H120 VanDerWaalsContact CE2-NE2 3.34Å; Y40-H120 WeakPolarHBondContact CE2-NE2 3.49Å; Y40-H120 AromaticContact CZ-CD2 3.85Å; Y40-H120 AromaticContact CZ-NE2 3.75Å; Y40-A150 WeakPolarHBondContact CE2-O 3.38Å; Y40-A150 PolarHBondContact OH-O 3.04Å; Y40-V159 HydrophobicContact CD1-CB 3.95Å; Y40-V159 HydrophobicContact CD1-CG1 3.24Å; Y40-V159 HydrophobicContact CD2-CG1 4.32Å; Y40-V159 HydrophobicContact CE1-CB 3.67Å; Y40-V159 HydrophobicContact CE1-CG1 3.51Å; Y40-V159 HydrophobicContact CE1-CG2 4.15Å; Y40-V159 HydrophobicContact CG-CG1 3.69Å |
| 41 | S | 82.9 | Confident | 83.6 | Confident | 49 Ų | 49 | 69.8 Ų | 69.8 | 34% | 0.343 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -63.6 | -28.9 | 178.9 | 66.9 | 0 | 0 | 0 | 0 | 112.3 | S37 L38 S43 L44 | S37-S41 WeakPolarHBondContact O-CA 3.26Å; S37-S41 WeakPolarHBondContact O-CB 3.25Å; S37-S41 PolarHBondContact O-N 3Å; L38-S41 PolarHBondContact O-N 3.1Å; L38-S41 PolarHBondContact O-OG 3.31Å; L38-S41 VanDerWaalsContact O-OG 3.07Å; S41-S43 VanDerWaalsContact C-N 3.33Å; S41-L44 WeakPolarHBondContact O-CB 3.49Å; S41-L44 WeakPolarHBondContact O-CG 3.4Å; S41-L44 PolarHBondContact O-N 3.27Å |
| 42 | N | 82.6 | Confident | 83 | Confident | 133 Ų | 133 | 68.1 Ų | 68.1 | 71% | 0.711 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -69.9 | -30 | 176.9 | -165.2 | 19.2 | 0 | 0 | 0 | 112.3 | Y40 L44 Y45 | Y40-N42 PolarHBondContact O-N 2.79Å; N42-L44 PolarHBondContact O-N 3.2Å; N42-Y45 PolarHBondContact O-N 3.22Å |
| 43 | S | 78.9 | Confident | 82.7 | Confident | 19 Ų | 19 | 70.3 Ų | 70.3 | 13% | 0.133 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -70.4 | -18.5 | 179.7 | 72.4 | 0 | 0 | 0 | 0 | 112.8 | Y40 S41 Y45 G46 H113 | Y40-S43 PolarHBondContact O-N 2.92Å; Y40-S43 PolarHBondContact O-OG 2.93Å; S41-S43 VanDerWaalsContact C-N 3.33Å; S43-Y45 PolarHBondContact O-N 2.88Å; S43-G46 PolarHBondContact O-N 2.79Å; S43-H113 PolarHBondContact O-CD2 3.28Å; S43-H113 VanDerWaalsContact O-CG 3.3Å |
| 44 | L | 77.6 | Confident | 82.4 | Confident | 42 Ų | 42 | 73 Ų | 73 | 22% | 0.22 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -60.8 | -26.7 | 177.6 | -61.5 | 179.2 | 0 | 0 | 0 | 113.3 | S41 N42 L110 H113 I114 V117 | S41-L44 WeakPolarHBondContact O-CB 3.49Å; S41-L44 WeakPolarHBondContact O-CG 3.4Å; S41-L44 PolarHBondContact O-N 3.27Å; N42-L44 PolarHBondContact O-N 3.2Å; L44-L110 HydrophobicContact CB-CD1 4.03Å; L44-L110 VanDerWaalsContact O-CD1 3.25Å; L44-L110 WeakPolarHBondContact O-CD1 3.25Å; L44-H113 HydrophobicContact CD2-CB 3.99Å; L44-I114 HydrophobicContact CD2-CG1 3.88Å; L44-V117 HydrophobicContact CD2-CG2 4.14Å |
| 45 | Y | 79.5 | Confident | 82.1 | Confident | 197 Ų | 197 | 68 Ų | 68 | 77% | 0.773 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -98 | 7.3 | 179.3 | -56.3 | -79.1 | 0 | 0 | 0 | 112.8 | N42 S43 | N42-Y45 PolarHBondContact O-N 3.22Å; S43-Y45 PolarHBondContact O-N 2.88Å |
| 46 | G | 78.9 | Confident | 81.9 | Confident | 30 Ų | 30 | 64.5 Ų | 64.5 | 31% | 0.309 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 154 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S43 H113 | S43-G46 PolarHBondContact O-N 2.79Å; G46-H113 PolarHBondContact O-NE2 2.83Å |
| 47 | E | 81.6 | Confident | 82 | Confident | 155 Ų | 155 | 66.9 Ų | 66.9 | 72% | 0.724 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -93 | 160.7 | 167.9 | -63.5 | -169.4 | 164.3 | 0 | 0 | 110.6 | V49 | E47-V49 PolarHBondContact O-N 3.28Š|
| 48 | L | 79.9 | Confident | 82.1 | Confident | 19 Ų | 19 | 69.2 Ų | 69.2 | 10% | 0.099 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 117.8 | 170.1 | -61.8 | 174.6 | 0 | 0 | 0 | 108.5 | D52 V53 I56 V57 P109 V162 | L48-D52 HydrophobicContact CB-CB 3.93Å; L48-D52 HydrophobicContact CD2-CB 4.04Å; L48-V53 VanDerWaalsContact O-CG2 3.27Å; L48-V53 WeakPolarHBondContact O-CG2 3.1Å; L48-I56 HydrophobicContact CD1-CB 4.37Å; L48-I56 HydrophobicContact CD1-CG2 3.99Å; L48-I56 HydrophobicContact CD2-CD1 4.23Å; L48-V57 HydrophobicContact CD1-CG2 3.79Å; L48-P109 HydrophobicContact CD1-CG 4.47Å; L48-P109 HydrophobicContact CD2-CB 4.37Å; L48-P109 HydrophobicContact CG-CB 4.08Å; L48-P109 HydrophobicContact CG-CG 4.04Å; L48-V162 HydrophobicContact CD2-CG2 3.86Å |
| 49 | V | 78.1 | Confident | 82.3 | Confident | 64 Ų | 64 | 63.4 Ų | 63.4 | 39% | 0.388 | 33% | 0.326 | S | S | . | . | trans | -122.6 | 161.3 | -176.2 | -68.8 | 0 | 0 | 0 | 0 | 111.5 | E47 D51 D52 | E47-V49 PolarHBondContact O-N 3.28Å; V49-D51 PolarHBondContact O-N 3.45Å; V49-D52 WeakPolarHBondContact O-CB 3.3Å; V49-D52 PolarHBondContact O-N 2.97Å; V49-D52 VanDerWaalsContact O-N 3.08Å | ||
| 50 | H | 81.1 | Confident | 82.7 | Confident | 148 Ų | 148 | 63.7 Ų | 63.7 | 69% | 0.685 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | -118 | 175.9 | -56.4 | -66 | 0 | 0 | 0 | 113.3 | D52 V53 | H50-D52 VanDerWaalsContact C-N 3.28Å; H50-D52 PolarHBondContact O-N 3.27Å; H50-V53 PolarHBondContact O-N 3.35Å |
| 51 | D | 77.7 | Confident | 83.2 | Confident | 68 Ų | 68 | 63.4 Ų | 63.4 | 36% | 0.364 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.1 | -28.7 | -176.7 | -76.8 | -2.3 | 0 | 0 | 0 | 111.9 | V49 V53 W54 A55 W77 Q163 | V49-D51 PolarHBondContact O-N 3.45Å; D51-V53 PolarHBondContact O-N 3.32Å; D51-W54 PolarHBondContact O-N 2.91Å; D51-A55 WeakPolarHBondContact O-CB 3.29Å; D51-A55 PolarHBondContact O-N 2.83Å; D51-W77 HydrophobicContact CB-CH2 3.66Å; D51-W77 HydrophobicContact CB-CZ3 4.24Å; D51-W77 VanDerWaalsContact O-CZ3 3.29Å; D51-W77 WeakPolarHBondContact O-CZ3 3.48Å; D51-Q163 HydrophobicContact CB-CG 4.32Å; D51-Q163 VanDerWaalsContact CB-OE1 3.26Å; D51-Q163 PolarHBondContact OD2-NE2 3.02Å |
| 52 | D | 80.4 | Confident | 83.6 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.4 | -35.7 | -178.6 | -57.7 | -21.6 | 0 | 0 | 0 | 111.2 | L48 V49 H50 W54 A55 I56 V162 Q163 | L48-D52 HydrophobicContact CB-CB 3.93Å; L48-D52 HydrophobicContact CD2-CB 4.04Å; V49-D52 WeakPolarHBondContact O-CB 3.3Å; V49-D52 PolarHBondContact O-N 2.97Å; V49-D52 VanDerWaalsContact O-N 3.08Å; H50-D52 VanDerWaalsContact C-N 3.28Å; H50-D52 PolarHBondContact O-N 3.27Å; D52-W54 VanDerWaalsContact C-N 3.32Å; D52-W54 PolarHBondContact O-N 3.28Å; D52-A55 PolarHBondContact O-N 3.46Å; D52-I56 VanDerWaalsContact O-CB 3.25Å; D52-I56 WeakPolarHBondContact O-CB 3.11Å; D52-I56 PolarHBondContact O-N 3.39Å; D52-V162 HydrophobicContact CB-CB 4.32Å; D52-V162 VanDerWaalsContact CG-CB 3.48Å; D52-V162 VanDerWaalsContact CG-N 3.26Å; D52-V162 VanDerWaalsContact OD1-CA 3.23Å; D52-V162 WeakPolarHBondContact OD1-CA 3.23Å; D52-V162 WeakPolarHBondContact OD1-CB 3.33Å; D52-V162 PolarHBondContact OD1-N 3.21Å; D52-V162 WeakPolarHBondContact OD2-CB 3.47Å; D52-V162 PolarHBondContact OD2-N 3.47Å; D52-Q163 PolarHBondContact OD1-N 3.07Å |
| 53 | V | 83.2 | Confident | 84 | Confident | 46 Ų | 46 | 58.9 Ų | 58.9 | 28% | 0.279 | 29% | 0.291 | S | S | . | . | I | π-helix | trans | -60.8 | -43.8 | 176.3 | -178.4 | 0 | 0 | 0 | 0 | 110.4 | L48 H50 D51 V57 N58 | L48-V53 VanDerWaalsContact O-CG2 3.27Å; L48-V53 WeakPolarHBondContact O-CG2 3.1Å; H50-V53 PolarHBondContact O-N 3.35Å; D51-V53 PolarHBondContact O-N 3.32Å; V53-V57 HydrophobicContact CG1-CB 4.17Å; V53-V57 CarbonylContact O-C 3.47Å; V53-V57 VanDerWaalsContact O-CA 3.26Å; V53-V57 WeakPolarHBondContact O-CA 3.46Å; V53-V57 WeakPolarHBondContact O-CB 3.27Å; V53-V57 PolarHBondContact O-N 2.9Å; V53-N58 PolarHBondContact O-N 3.45Å |
| 54 | W | 84.7 | Confident | 84.3 | Confident | 155 Ų | 155 | 62.1 Ų | 62.1 | 59% | 0.587 | 31% | 0.311 | S | S | * | . | I | π-helix | trans | -75.7 | -39 | -179.4 | -73 | 101.8 | 0 | 0 | 0 | 112.6 | D51 D52 N58 N59 W77 | D51-W54 PolarHBondContact O-N 2.91Å; D52-W54 VanDerWaalsContact C-N 3.32Å; D52-W54 PolarHBondContact O-N 3.28Å; W54-N58 HydrophobicContact CD2-CB 4.49Å; W54-N58 HydrophobicContact CE3-CB 3.72Å; W54-N58 HydrophobicContact CZ3-CB 4.11Å; W54-N59 PolarHBondContact O-N 3.37Å; W54-W77 HydrophobicContact CB-CD2 4.37Å; W54-W77 HydrophobicContact CB-CE3 3.4Å; W54-W77 VanDerWaalsContact CB-CE3 3.4Å; W54-W77 HydrophobicContact CB-CH2 4.34Å; W54-W77 HydrophobicContact CB-CZ3 3.39Å |
| 55 | A | 84.6 | Confident | 84.8 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 34% | 0.343 | C | S | . | . | I | π-helix | trans | -76.2 | -29.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | D51 D52 N59 F76 W77 F98 | D51-A55 WeakPolarHBondContact O-CB 3.29Å; D51-A55 PolarHBondContact O-N 2.83Å; D52-A55 PolarHBondContact O-N 3.46Å; A55-N59 WeakPolarHBondContact O-CB 3.4Å; A55-N59 PolarHBondContact O-ND2 2.87Å; A55-F76 HydrophobicContact CB-CD1 4.32Å; A55-F76 HydrophobicContact CB-CE1 3.52Å; A55-F76 HydrophobicContact CB-CE2 4.33Å; A55-F76 HydrophobicContact CB-CZ 3.54Å; A55-W77 HydrophobicContact CB-CE3 4.11Å; A55-W77 HydrophobicContact CB-CZ3 3.79Å; A55-F98 HydrophobicContact CB-CE2 4.02Å |
| 56 | I | 85.9 | Confident | 85.2 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | I | π-helix | trans | -116.5 | -51.8 | -173.3 | -61.8 | 167.5 | 0 | 0 | 0 | 110.8 | L48 D52 V62 R63 F98 I102 M107 F112 V162 | L48-I56 HydrophobicContact CD1-CB 4.37Å; L48-I56 HydrophobicContact CD1-CG2 3.99Å; L48-I56 HydrophobicContact CD2-CD1 4.23Å; D52-I56 VanDerWaalsContact O-CB 3.25Å; D52-I56 WeakPolarHBondContact O-CB 3.11Å; D52-I56 PolarHBondContact O-N 3.39Å; I56-V62 VanDerWaalsContact O-CG2 3.32Å; I56-V62 WeakPolarHBondContact O-CG2 3.46Å; I56-R63 PolarHBondContact O-NH1 3.33Å; I56-R63 VanDerWaalsContact O-NH1 3.08Å; I56-F98 HydrophobicContact CD1-CD1 4.17Å; I56-F98 HydrophobicContact CD1-CD2 4.36Å; I56-F98 HydrophobicContact CD1-CE1 4.18Å; I56-F98 HydrophobicContact CD1-CE2 4.37Å; I56-F98 HydrophobicContact CD1-CG 4.27Å; I56-F98 HydrophobicContact CD1-CZ 4.28Å; I56-F98 HydrophobicContact CG1-CB 4.35Å; I56-F98 HydrophobicContact CG1-CD1 4.28Å; I56-F98 HydrophobicContact CG1-CD2 3.71Å; I56-F98 HydrophobicContact CG1-CE2 4.01Å; I56-F98 HydrophobicContact CG1-CG 3.87Å; I56-F98 HydrophobicContact CG1-CZ 4.42Å; I56-I102 HydrophobicContact CG2-CD1 4.31Å; I56-M107 HydrophobicContact CG2-CE 3.69Å; I56-M107 HydrophobicContact CG2-SD 4.29Å; I56-F112 HydrophobicContact CD1-CD1 4.14Å; I56-F112 HydrophobicContact CD1-CE1 3.97Å; I56-F112 HydrophobicContact CD1-CZ 4.38Å; I56-F112 HydrophobicContact CG2-CE1 4.33Å; I56-F112 HydrophobicContact CG2-CE2 4.23Å; I56-F112 HydrophobicContact CG2-CZ 3.76Å; I56-V162 HydrophobicContact CD1-CB 4.14Å; I56-V162 HydrophobicContact CD1-CG1 3.68Å |
| 57 | V | 87.1 | Confident | 85.8 | Confident | 51 Ų | 51 | 57.7 Ų | 57.7 | 31% | 0.309 | 32% | 0.322 | S | S | . | . | I | π-helix | trans | -77.7 | -38.1 | -175.2 | -174.1 | 0 | 0 | 0 | 0 | 111.9 | L48 V53 R63 M107 | L48-V57 HydrophobicContact CD1-CG2 3.79Å; V53-V57 HydrophobicContact CG1-CB 4.17Å; V53-V57 CarbonylContact O-C 3.47Å; V53-V57 VanDerWaalsContact O-CA 3.26Å; V53-V57 WeakPolarHBondContact O-CA 3.46Å; V53-V57 WeakPolarHBondContact O-CB 3.27Å; V53-V57 PolarHBondContact O-N 2.9Å; V57-R63 PolarHBondContact O-NH2 2.85Å; V57-M107 HydrophobicContact CG2-CE 4.2Å |
| 58 | N | 88.6 | Confident | 86.3 | Confident | 80 Ų | 80 | 54.8 Ų | 54.8 | 43% | 0.428 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -101.4 | -4.1 | -177.3 | -63.9 | -25.1 | 0 | 0 | 0 | 114.1 | V53 W54 P60 | V53-N58 PolarHBondContact O-N 3.45Å; W54-N58 HydrophobicContact CD2-CB 4.49Å; W54-N58 HydrophobicContact CE3-CB 3.72Å; W54-N58 HydrophobicContact CZ3-CB 4.11Å; N58-P60 WeakPolarHBondContact O-CD 3.41Å |
| 59 | N | 91.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 33% | 0.333 | C | S | . | . | trans | -83.1 | 119.1 | -176.5 | -169.7 | -24.3 | 0 | 0 | 0 | 111.5 | W54 A55 D61 V62 F76 G78 | W54-N59 PolarHBondContact O-N 3.37Å; A55-N59 WeakPolarHBondContact O-CB 3.4Å; A55-N59 PolarHBondContact O-ND2 2.87Å; N59-D61 VanDerWaalsContact C-N 3.29Å; N59-D61 PolarHBondContact O-N 2.88Å; N59-D61 VanDerWaalsContact OD1-CB 3.3Å; N59-D61 WeakPolarHBondContact OD1-CB 3.42Å; N59-D61 PolarHBondContact OD1-N 3.42Å; N59-V62 HydrophobicContact CB-CG1 4.34Å; N59-V62 HydrophobicContact CB-CG2 4.19Å; N59-V62 WeakPolarHBondContact O-CG2 2.94Å; N59-F76 PolarHBondContact ND2-O 2.81Å; N59-G78 WeakPolarHBondContact OD1-CA 3.43Å | ||
| 60 | P | 91.2 | Very high | 87.4 | Confident | 71 Ų | 71 | 61 Ų | 61 | 46% | 0.461 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -68.8 | -24.4 | 176.7 | 27.7 | -34.8 | 0 | 0 | 0 | 113.5 | N58 V62 R63 S66 | N58-P60 WeakPolarHBondContact O-CD 3.41Å; P60-V62 VanDerWaalsContact C-N 3.31Å; P60-V62 PolarHBondContact O-N 2.76Å; P60-R63 WeakPolarHBondContact O-CB 3.29Å; P60-R63 PolarHBondContact O-N 2.96Å; P60-S66 WeakPolarHBondContact O-CB 3.37Å; P60-S66 PolarHBondContact O-OG 3.39Å; P60-S66 VanDerWaalsContact O-OG 3.13Å |
| 61 | D | 91.6 | Very high | 87.8 | Confident | 4 Ų | 4 | 54.1 Ų | 54.1 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -73.8 | -23.1 | -174.7 | -66.7 | -31 | 0 | 0 | 0 | 113.2 | N59 R63 S66 N70 I71 N74 G78 I95 K99 | N59-D61 VanDerWaalsContact C-N 3.29Å; N59-D61 PolarHBondContact O-N 2.88Å; N59-D61 VanDerWaalsContact OD1-CB 3.3Å; N59-D61 WeakPolarHBondContact OD1-CB 3.42Å; N59-D61 PolarHBondContact OD1-N 3.42Å; D61-R63 VanDerWaalsContact C-N 3.33Å; D61-S66 VanDerWaalsContact C-OG 3.31Å; D61-S66 PolarHBondContact O-OG 2.9Å; D61-N70 WeakPolarHBondContact OD1-CB 3.3Å; D61-I71 HydrophobicContact CB-CG1 4.1Å; D61-N74 VanDerWaalsContact CG-ND2 3.35Å; D61-N74 PolarHBondContact OD1-ND2 3.3Å; D61-N74 VanDerWaalsContact OD1-ND2 3.16Å; D61-N74 VanDerWaalsContact OD2-CB 3.22Å; D61-N74 WeakPolarHBondContact OD2-CB 3.36Å; D61-N74 PolarHBondContact OD2-ND2 3.29Å; D61-G78 WeakPolarHBondContact OD2-CA 3.47Å; D61-I95 HydrophobicContact CB-CG2 4.07Å; D61-K99 PolarHBondContact O-NZ 3.03Å |
| 62 | V | 90.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -84.8 | -7.5 | 177.3 | -52.8 | 0 | 0 | 0 | 0 | 113.2 | I56 N59 P60 I95 F98 K99 I102 | I56-V62 VanDerWaalsContact O-CG2 3.32Å; I56-V62 WeakPolarHBondContact O-CG2 3.46Å; N59-V62 HydrophobicContact CB-CG1 4.34Å; N59-V62 HydrophobicContact CB-CG2 4.19Å; N59-V62 WeakPolarHBondContact O-CG2 2.94Å; P60-V62 VanDerWaalsContact C-N 3.31Å; P60-V62 PolarHBondContact O-N 2.76Å; V62-I95 HydrophobicContact CG1-CG2 3.71Å; V62-F98 HydrophobicContact CB-CB 4.42Å; V62-F98 HydrophobicContact CG1-CB 3.84Å; V62-K99 HydrophobicContact CB-CB 4.45Å; V62-I102 HydrophobicContact CB-CD1 3.63Å; V62-I102 HydrophobicContact CG2-CD1 3.46Å; V62-I102 VanDerWaalsContact CG2-CD1 3.46Å; V62-I102 WeakPolarHBondContact O-CD1 3.38Å |
| 63 | R | 91.3 | Very high | 89 | Confident | 87 Ų | 87 | 61.6 Ų | 61.6 | 33% | 0.328 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -70.1 | 147.5 | -178.1 | -60.8 | -54.2 | -164.6 | -144.2 | 7.2 | 113 | I56 V57 P60 D61 G65 S66 K99 M107 | I56-R63 PolarHBondContact O-NH1 3.33Å; I56-R63 VanDerWaalsContact O-NH1 3.08Å; V57-R63 PolarHBondContact O-NH2 2.85Å; P60-R63 WeakPolarHBondContact O-CB 3.29Å; P60-R63 PolarHBondContact O-N 2.96Å; D61-R63 VanDerWaalsContact C-N 3.33Å; R63-G65 PolarHBondContact O-N 3.17Å; R63-S66 PolarHBondContact O-N 3.06Å; R63-S66 PolarHBondContact O-OG 3.41Å; R63-K99 PolarHBondContact O-NZ 3.03Å; R63-M107 PolarHBondContact NH1-SD 3.29Å |
| 64 | P | 86.4 | Confident | 89.4 | Confident | 86 Ų | 86 | 60.1 Ų | 60.1 | 56% | 0.558 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 133.4 | 167.3 | -23.4 | 33.9 | 0 | 0 | 0 | 110.6 | S66 I102 L103 | P64-S66 PolarHBondContact O-N 3.4Å; P64-I102 HydrophobicContact CG-CG2 4.29Å; P64-L103 HydrophobicContact CB-CD2 4.03Å; P64-L103 HydrophobicContact CG-CD2 4.23Å |
| 65 | G | 86.5 | Confident | 89.6 | Confident | 85 Ų | 85 | 52.9 Ų | 52.9 | 88% | 0.876 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.6 | -12.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | R63 | R63-G65 PolarHBondContact O-N 3.17Š|
| 66 | S | 89.6 | Confident | 89.8 | Confident | 30 Ų | 30 | 53 Ų | 53 | 21% | 0.21 | 29% | 0.288 | C | S | . | . | trans | -73.1 | 148.2 | 173.3 | 67.6 | 0 | 0 | 0 | 0 | 111.9 | P60 D61 R63 P64 K99 | P60-S66 WeakPolarHBondContact O-CB 3.37Å; P60-S66 PolarHBondContact O-OG 3.39Å; P60-S66 VanDerWaalsContact O-OG 3.13Å; D61-S66 VanDerWaalsContact C-OG 3.31Å; D61-S66 PolarHBondContact O-OG 2.9Å; R63-S66 PolarHBondContact O-N 3.06Å; R63-S66 PolarHBondContact O-OG 3.41Å; P64-S66 PolarHBondContact O-N 3.4Å; S66-K99 PolarHBondContact O-NZ 3.5Å; S66-K99 PolarHBondContact OG-NZ 3.36Å | ||
| 67 | S | 91.3 | Very high | 89.9 | Confident | 62 Ų | 62 | 55.4 Ų | 55.4 | 43% | 0.434 | 30% | 0.298 | S | S | . | . | trans | -69.3 | 132.3 | -174.2 | -173.8 | 0 | 0 | 0 | 0 | 112.1 | R69 N70 | S67-R69 PolarHBondContact O-N 2.89Å; S67-R69 VanDerWaalsContact O-N 3.15Å; S67-R69 PolarHBondContact OG-N 3.22Å; S67-N70 WeakPolarHBondContact O-CB 3.35Å; S67-N70 PolarHBondContact O-N 3.13Å | ||
| 68 | L | 90.6 | Very high | 89.9 | Confident | 94 Ų | 94 | 53.7 Ų | 53.7 | 49% | 0.492 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.8 | -26.8 | 171.9 | -65.6 | 178.2 | 0 | 0 | 0 | 112.4 | N70 I71 F72 L96 K99 | L68-N70 PolarHBondContact O-N 3.5Å; L68-I71 HydrophobicContact CD2-CD1 3.82Å; L68-I71 WeakPolarHBondContact O-CB 3.41Å; L68-I71 PolarHBondContact O-N 3.29Å; L68-F72 VanDerWaalsContact O-CD2 3.26Å; L68-F72 WeakPolarHBondContact O-CD2 3.47Å; L68-L96 HydrophobicContact CD2-CD1 3.85Å; L68-K99 HydrophobicContact CD2-CD 3.89Å |
| 69 | R | 91.1 | Very high | 90 | Very high | 151 Ų | 151 | 54 Ų | 54 | 57% | 0.57 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -63.1 | -29.9 | 177.2 | -163.4 | -174 | -169.8 | -168.5 | 8.1 | 112.3 | S67 I71 F72 R73 | S67-R69 PolarHBondContact O-N 2.89Å; S67-R69 VanDerWaalsContact O-N 3.15Å; S67-R69 PolarHBondContact OG-N 3.22Å; R69-I71 VanDerWaalsContact C-N 3.34Å; R69-F72 PolarHBondContact O-N 3.11Å; R69-R73 WeakPolarHBondContact O-CG 3.38Å |
| 70 | N | 90.5 | Very high | 89.9 | Confident | 62 Ų | 62 | 62.3 Ų | 62.3 | 33% | 0.332 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68.8 | -36.6 | -179.8 | -67.6 | -6.1 | 0 | 0 | 0 | 111.2 | D61 S67 L68 F72 R73 N74 | D61-N70 WeakPolarHBondContact OD1-CB 3.3Å; S67-N70 WeakPolarHBondContact O-CB 3.35Å; S67-N70 PolarHBondContact O-N 3.13Å; L68-N70 PolarHBondContact O-N 3.5Å; N70-F72 PolarHBondContact O-N 3.19Å; N70-F72 VanDerWaalsContact O-N 3.15Å; N70-R73 PolarHBondContact O-N 3.1Å; N70-N74 WeakPolarHBondContact O-CB 3.46Å; N70-N74 PolarHBondContact O-N 3.48Å |
| 71 | I | 90.6 | Very high | 89.6 | Confident | 3 Ų | 3 | 61.8 Ų | 61.8 | 2% | 0.015 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -55.9 | -35.1 | 176.7 | -60.6 | 174.1 | 0 | 0 | 0 | 111.9 | D61 L68 R69 P92 I95 L96 K99 | D61-I71 HydrophobicContact CB-CG1 4.1Å; L68-I71 HydrophobicContact CD2-CD1 3.82Å; L68-I71 WeakPolarHBondContact O-CB 3.41Å; L68-I71 PolarHBondContact O-N 3.29Å; R69-I71 VanDerWaalsContact C-N 3.34Å; I71-P92 HydrophobicContact CG2-CB 3.92Å; I71-P92 WeakPolarHBondContact CG2-O 3.33Å; I71-P92 WeakPolarHBondContact O-CB 3.32Å; I71-I95 HydrophobicContact CG1-CG2 4.06Å; I71-I95 HydrophobicContact CG2-CB 4.05Å; I71-I95 HydrophobicContact CG2-CG2 4.02Å; I71-L96 HydrophobicContact CD1-CD1 4.11Å; I71-L96 HydrophobicContact CG2-CB 4.48Å; I71-K99 HydrophobicContact CD1-CD 3.8Å |
| 72 | F | 91.5 | Very high | 89.4 | Confident | 101 Ų | 101 | 65.9 Ų | 65.9 | 44% | 0.443 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 1.9 | 179.1 | -62.6 | -81.1 | 0 | 0 | 0 | 114.1 | L68 R69 N70 P92 | L68-F72 VanDerWaalsContact O-CD2 3.26Å; L68-F72 WeakPolarHBondContact O-CD2 3.47Å; R69-F72 PolarHBondContact O-N 3.11Å; N70-F72 PolarHBondContact O-N 3.19Å; N70-F72 VanDerWaalsContact O-N 3.15Å; F72-P92 HydrophobicContact CD1-CB 3.72Å; F72-P92 HydrophobicContact CD1-CG 4.2Å; F72-P92 HydrophobicContact CE1-CB 3.91Å; F72-P92 HydrophobicContact CE1-CG 4.35Å; F72-P92 HydrophobicContact CG-CB 4.43Å |
| 73 | R | 90.4 | Very high | 89.3 | Confident | 125 Ų | 125 | 69.1 Ų | 69.1 | 47% | 0.472 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.6 | -20.5 | -176.8 | -72.5 | 179.6 | 166 | -157.7 | -16.3 | 113.5 | R69 N70 M81 | R69-R73 WeakPolarHBondContact O-CG 3.38Å; N70-R73 PolarHBondContact O-N 3.1Å; R73-M81 VanDerWaalsContact O-CG 3.32Å; R73-M81 WeakPolarHBondContact O-CG 3.44Å; R73-M81 PolarHBondContact O-N 2.92Å |
| 74 | N | 91.4 | Very high | 89 | Confident | 15 Ų | 15 | 72.3 Ų | 72.3 | 8% | 0.08 | 39% | 0.386 | C | S | . | . | B | Isolated β-bridge | trans | -99 | 160.8 | 179 | -64.8 | -12 | 0 | 0 | 0 | 110.2 | D61 N70 K79 R80 | D61-N74 VanDerWaalsContact CG-ND2 3.35Å; D61-N74 PolarHBondContact OD1-ND2 3.3Å; D61-N74 VanDerWaalsContact OD1-ND2 3.16Å; D61-N74 VanDerWaalsContact OD2-CB 3.22Å; D61-N74 WeakPolarHBondContact OD2-CB 3.36Å; D61-N74 PolarHBondContact OD2-ND2 3.29Å; N70-N74 WeakPolarHBondContact O-CB 3.46Å; N70-N74 PolarHBondContact O-N 3.48Å; N74-K79 CarbonylContact C-O 3.41Å; N74-K79 WeakPolarHBondContact CA-O 3.06Å; N74-K79 VanDerWaalsContact CB-O 3.25Å; N74-K79 WeakPolarHBondContact CB-O 3.41Å; N74-R80 WeakPolarHBondContact OD1-CA 3.44Å; N74-R80 WeakPolarHBondContact OD1-CG 3.34Å |
| 75 | D | 90.4 | Very high | 88.8 | Confident | 3 Ų | 3 | 71.9 Ų | 71.9 | 2% | 0.016 | 38% | 0.382 | C | S | . | . | trans | -74.8 | 177.8 | 168.6 | 70.6 | 11.3 | 0 | 0 | 0 | 110.7 | W77 G78 K79 M81 S86 H87 S89 | D75-W77 PolarHBondContact O-N 3.42Å; D75-W77 PolarHBondContact OD1-N 3.47Å; D75-G78 PolarHBondContact O-N 2.89Å; D75-G78 PolarHBondContact OD1-N 2.92Å; D75-K79 PolarHBondContact N-O 2.88Å; D75-K79 PolarHBondContact OD1-N 3.35Å; D75-M81 HydrophobicContact CB-SD 3.68Å; D75-S86 WeakPolarHBondContact CB-OG 3.38Å; D75-S86 WeakPolarHBondContact OD2-CA 3.5Å; D75-S86 WeakPolarHBondContact OD2-CB 3.27Å; D75-S86 PolarHBondContact OD2-OG 2.88Å; D75-H87 PolarHBondContact OD2-N 3.32Å; D75-H87 VanDerWaalsContact OD2-N 3.1Å; D75-S89 CarbonylContact C-O 3.37Å; D75-S89 WeakPolarHBondContact CA-O 3.21Å | ||
| 76 | F | 87.5 | Confident | 88.8 | Confident | 2 Ų | 2 | 68.5 Ų | 68.5 | 1% | 0.009 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -21.5 | -178.7 | -176.9 | -112.7 | 0 | 0 | 0 | 113.9 | A55 N59 S89 R91 C94 I95 F98 | A55-F76 HydrophobicContact CB-CD1 4.32Å; A55-F76 HydrophobicContact CB-CE1 3.52Å; A55-F76 HydrophobicContact CB-CE2 4.33Å; A55-F76 HydrophobicContact CB-CZ 3.54Å; N59-F76 PolarHBondContact ND2-O 2.81Å; F76-S89 WeakPolarHBondContact CB-OG 3.38Å; F76-S89 PolarHBondContact N-O 3.33Å; F76-R91 HydrophobicContact CB-CB 4.49Å; F76-R91 HydrophobicContact CD2-CB 3.7Å; F76-R91 HydrophobicContact CD2-CG 4.24Å; F76-R91 HydrophobicContact CE2-CB 4.39Å; F76-R91 HydrophobicContact CG-CB 4.44Å; F76-C94 HydrophobicContact CE2-CB 4.13Å; F76-I95 HydrophobicContact CD2-CD1 3.47Å; F76-I95 VanDerWaalsContact CD2-CD1 3.47Å; F76-I95 HydrophobicContact CD2-CG1 3.92Å; F76-I95 HydrophobicContact CE2-CD1 3.61Å; F76-I95 HydrophobicContact CE2-CG1 4.4Å; F76-I95 HydrophobicContact CG-CD1 4.3Å; F76-I95 VanDerWaalsContact O-CD1 3.24Å; F76-I95 WeakPolarHBondContact O-CD1 3.49Å; F76-F98 AromaticContact CE2-CE2 3.95Å; F76-F98 HydrophobicContact CE2-CE2 3.95Å; F76-F98 HydrophobicContact CZ-CE2 4.02Å |
| 77 | W | 89.1 | Confident | 88.5 | Confident | 52 Ų | 52 | 73.8 Ų | 73.8 | 20% | 0.197 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 0.5 | -176.9 | -49.9 | 114.4 | 0 | 0 | 0 | 113 | D51 W54 A55 D75 H87 | D51-W77 HydrophobicContact CB-CH2 3.66Å; D51-W77 HydrophobicContact CB-CZ3 4.24Å; D51-W77 VanDerWaalsContact O-CZ3 3.29Å; D51-W77 WeakPolarHBondContact O-CZ3 3.48Å; W54-W77 HydrophobicContact CB-CD2 4.37Å; W54-W77 HydrophobicContact CB-CE3 3.4Å; W54-W77 VanDerWaalsContact CB-CE3 3.4Å; W54-W77 HydrophobicContact CB-CH2 4.34Å; W54-W77 HydrophobicContact CB-CZ3 3.39Å; A55-W77 HydrophobicContact CB-CE3 4.11Å; A55-W77 HydrophobicContact CB-CZ3 3.79Å; D75-W77 PolarHBondContact O-N 3.42Å; D75-W77 PolarHBondContact OD1-N 3.47Å; W77-H87 AromaticContact CD1-CD2 3.83Å; W77-H87 AromaticContact CD1-CG 3.99Å; W77-H87 AromaticContact NE1-CG 3.86Å |
| 78 | G | 87.3 | Confident | 88.2 | Confident | 14 Ų | 14 | 77.4 Ų | 77.4 | 14% | 0.144 | 37% | 0.374 | C | S | . | . | S | Bend | trans | 85.6 | 15.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | N59 D61 D75 | N59-G78 WeakPolarHBondContact OD1-CA 3.43Å; D61-G78 WeakPolarHBondContact OD2-CA 3.47Å; D75-G78 PolarHBondContact O-N 2.89Å; D75-G78 PolarHBondContact OD1-N 2.92Å |
| 79 | K | 89.7 | Confident | 87.9 | Confident | 87 Ų | 87 | 74.4 Ų | 74.4 | 38% | 0.378 | 36% | 0.361 | S | S | . | . | trans | -93 | 148.4 | 170.7 | -72.3 | -172.9 | -179.9 | -174 | 0 | 110.8 | N74 D75 M81 T85 | N74-K79 CarbonylContact C-O 3.41Å; N74-K79 WeakPolarHBondContact CA-O 3.06Å; N74-K79 VanDerWaalsContact CB-O 3.25Å; N74-K79 WeakPolarHBondContact CB-O 3.41Å; D75-K79 PolarHBondContact N-O 2.88Å; D75-K79 PolarHBondContact OD1-N 3.35Å; K79-M81 PolarHBondContact O-N 3.48Å; K79-T85 WeakPolarHBondContact CD-O 3.33Å; K79-T85 PolarHBondContact NZ-O 3.39Å; K79-T85 PolarHBondContact NZ-OG1 2.94Å | ||
| 80 | R | 88.8 | Confident | 87.7 | Confident | 175 Ų | 175 | 72.9 Ų | 72.9 | 66% | 0.66 | 36% | 0.356 | S | S | * | . | B | Isolated β-bridge | trans | -64 | 132.5 | 177.4 | -66.5 | 176.8 | 66.7 | 122.8 | -2.6 | 110.5 | N74 A82 D83 S86 | N74-R80 WeakPolarHBondContact OD1-CA 3.44Å; N74-R80 WeakPolarHBondContact OD1-CG 3.34Å; R80-A82 PolarHBondContact O-N 3.42Å; R80-D83 WeakPolarHBondContact O-CB 3.14Å; R80-D83 PolarHBondContact O-N 2.92Å; R80-S86 WeakPolarHBondContact O-CB 3.43Å |
| 81 | M | 86.5 | Confident | 87.7 | Confident | 59 Ų | 59 | 74.8 Ų | 74.8 | 29% | 0.291 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -22.6 | 179.7 | -72.7 | -71.6 | -69.1 | 0 | 0 | 114.4 | R73 D75 K79 D83 K88 Y90 | R73-M81 VanDerWaalsContact O-CG 3.32Å; R73-M81 WeakPolarHBondContact O-CG 3.44Å; R73-M81 PolarHBondContact O-N 2.92Å; D75-M81 HydrophobicContact CB-SD 3.68Å; K79-M81 PolarHBondContact O-N 3.48Å; M81-D83 VanDerWaalsContact C-N 3.35Å; M81-K88 HydrophobicContact CE-CB 4.21Å; M81-Y90 HydrophobicContact SD-CD2 4.5Å |
| 82 | A | 86.5 | Confident | 87.5 | Confident | 90 Ų | 90 | 75.4 Ų | 75.4 | 74% | 0.744 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -9.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | R80 | R80-A82 PolarHBondContact O-N 3.42Š|
| 83 | D | 87.8 | Confident | 87.4 | Confident | 68 Ų | 68 | 75 Ų | 75 | 36% | 0.364 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -78.9 | 141 | 179.2 | -171.1 | 7.7 | 0 | 0 | 0 | 110.9 | R80 M81 T85 S86 | R80-D83 WeakPolarHBondContact O-CB 3.14Å; R80-D83 PolarHBondContact O-N 2.92Å; M81-D83 VanDerWaalsContact C-N 3.35Å; D83-T85 PolarHBondContact O-N 2.77Å; D83-T85 PolarHBondContact OD1-N 3.32Å; D83-T85 PolarHBondContact OD2-OG1 2.9Å; D83-S86 VanDerWaalsContact O-CB 3.25Å; D83-S86 WeakPolarHBondContact O-CB 3.31Å; D83-S86 PolarHBondContact O-N 3.5Å; D83-S86 VanDerWaalsContact O-N 3.15Å |
| 84 | N | 85.2 | Confident | 87.1 | Confident | 155 Ų | 155 | 69.5 Ų | 69.5 | 83% | 0.829 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -20 | 177.2 | -73.4 | -22.9 | 0 | 0 | 0 | 112.3 | S86 | N84-S86 VanDerWaalsContact C-N 3.34Š|
| 85 | T | 83.6 | Confident | 86.9 | Confident | 77 Ų | 77 | 69 Ų | 69 | 47% | 0.472 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 3.5 | 175.9 | 81.2 | 0 | 0 | 0 | 0 | 113.7 | K79 D83 | K79-T85 WeakPolarHBondContact CD-O 3.33Å; K79-T85 PolarHBondContact NZ-O 3.39Å; K79-T85 PolarHBondContact NZ-OG1 2.94Å; D83-T85 PolarHBondContact O-N 2.77Å; D83-T85 PolarHBondContact OD1-N 3.32Å; D83-T85 PolarHBondContact OD2-OG1 2.9Å |
| 86 | S | 85.7 | Confident | 86.9 | Confident | 13 Ų | 13 | 71 Ų | 71 | 9% | 0.091 | 35% | 0.353 | C | S | . | . | trans | -75.9 | 143.4 | 172.9 | 175.9 | 0 | 0 | 0 | 0 | 110.8 | D75 R80 D83 N84 K88 | D75-S86 WeakPolarHBondContact CB-OG 3.38Å; D75-S86 WeakPolarHBondContact OD2-CA 3.5Å; D75-S86 WeakPolarHBondContact OD2-CB 3.27Å; D75-S86 PolarHBondContact OD2-OG 2.88Å; R80-S86 WeakPolarHBondContact O-CB 3.43Å; D83-S86 VanDerWaalsContact O-CB 3.25Å; D83-S86 WeakPolarHBondContact O-CB 3.31Å; D83-S86 PolarHBondContact O-N 3.5Å; D83-S86 VanDerWaalsContact O-N 3.15Å; N84-S86 VanDerWaalsContact C-N 3.34Å; S86-K88 PolarHBondContact O-N 3.18Å; S86-K88 PolarHBondContact OG-N 2.96Å | ||
| 87 | H | 83.5 | Confident | 86.8 | Confident | 141 Ų | 141 | 72.8 Ų | 72.8 | 65% | 0.653 | 36% | 0.364 | S | S | * | . | trans | -78.7 | -5 | 172.7 | -72 | -103.8 | 0 | 0 | 0 | 112.4 | D75 W77 S89 | D75-H87 PolarHBondContact OD2-N 3.32Å; D75-H87 VanDerWaalsContact OD2-N 3.1Å; W77-H87 AromaticContact CD1-CD2 3.83Å; W77-H87 AromaticContact CD1-CG 3.99Å; W77-H87 AromaticContact NE1-CG 3.86Å; H87-S89 PolarHBondContact O-N 3.48Å | ||
| 88 | K | 84.5 | Confident | 86.8 | Confident | 139 Ų | 139 | 70.4 Ų | 70.4 | 60% | 0.604 | 36% | 0.355 | S | S | * | . | trans | 55.3 | 21.8 | -178.1 | -56.1 | -174 | 179.9 | 178.1 | 0 | 114 | M81 S86 Y90 | M81-K88 HydrophobicContact CE-CB 4.21Å; S86-K88 PolarHBondContact O-N 3.18Å; S86-K88 PolarHBondContact OG-N 2.96Å; K88-Y90 PolarHBondContact O-N 3.01Å | ||
| 89 | S | 85.3 | Confident | 86.9 | Confident | 30 Ų | 30 | 70.2 Ų | 70.2 | 21% | 0.21 | 35% | 0.35 | C | S | . | . | trans | -79.1 | 104 | 176.2 | 45.7 | 0 | 0 | 0 | 0 | 109.8 | D75 F76 H87 | D75-S89 CarbonylContact C-O 3.37Å; D75-S89 WeakPolarHBondContact CA-O 3.21Å; F76-S89 WeakPolarHBondContact CB-OG 3.38Å; F76-S89 PolarHBondContact N-O 3.33Å; H87-S89 PolarHBondContact O-N 3.48Å | ||
| 90 | Y | 86.6 | Confident | 86.8 | Confident | 120 Ų | 120 | 70.2 Ų | 70.2 | 47% | 0.471 | 35% | 0.354 | S | S | . | . | trans | -95.5 | 105.5 | -177.4 | -170.8 | -114.8 | 0 | 0 | 0 | 111.7 | M81 K88 P92 | M81-Y90 HydrophobicContact SD-CD2 4.5Å; K88-Y90 PolarHBondContact O-N 3.01Å; Y90-P92 HydrophobicContact CD1-CG 4.28Å; Y90-P92 HydrophobicContact CE1-CG 3.68Å; Y90-P92 HydrophobicContact CE2-CB 4.33Å; Y90-P92 HydrophobicContact CE2-CG 4.05Å | ||
| 91 | R | 89.1 | Confident | 86.8 | Confident | 102 Ų | 102 | 62.3 Ų | 62.3 | 39% | 0.385 | 33% | 0.325 | S | S | . | . | trans | -138.8 | 56.8 | -178.7 | -59.5 | -177.9 | -177.1 | -158.1 | 1 | 112.4 | F76 L93 C94 I95 | F76-R91 HydrophobicContact CB-CB 4.49Å; F76-R91 HydrophobicContact CD2-CB 3.7Å; F76-R91 HydrophobicContact CD2-CG 4.24Å; F76-R91 HydrophobicContact CE2-CB 4.39Å; F76-R91 HydrophobicContact CG-CB 4.44Å; R91-L93 VanDerWaalsContact C-N 3.31Å; R91-L93 PolarHBondContact O-N 3.49Å; R91-C94 HydrophobicContact CB-CB 4.13Å; R91-C94 WeakPolarHBondContact O-CB 3.37Å; R91-C94 PolarHBondContact O-N 3.08Å; R91-C94 VanDerWaalsContact O-N 3.16Å; R91-I95 PolarHBondContact O-N 3.35Å | ||
| 92 | P | 87.2 | Confident | 86.9 | Confident | 16 Ų | 16 | 60 Ų | 60 | 10% | 0.104 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.8 | -35.2 | -170.8 | 27.5 | -38.5 | 0 | 0 | 0 | 113.4 | I71 F72 Y90 C94 I95 L96 | I71-P92 HydrophobicContact CG2-CB 3.92Å; I71-P92 WeakPolarHBondContact CG2-O 3.33Å; I71-P92 WeakPolarHBondContact O-CB 3.32Å; F72-P92 HydrophobicContact CD1-CB 3.72Å; F72-P92 HydrophobicContact CD1-CG 4.2Å; F72-P92 HydrophobicContact CE1-CB 3.91Å; F72-P92 HydrophobicContact CE1-CG 4.35Å; F72-P92 HydrophobicContact CG-CB 4.43Å; Y90-P92 HydrophobicContact CD1-CG 4.28Å; Y90-P92 HydrophobicContact CE1-CG 3.68Å; Y90-P92 HydrophobicContact CE2-CB 4.33Å; Y90-P92 HydrophobicContact CE2-CG 4.05Å; P92-C94 VanDerWaalsContact C-N 3.34Å; P92-C94 PolarHBondContact O-N 3.04Å; P92-I95 PolarHBondContact O-N 3.33Å; P92-L96 VanDerWaalsContact O-CB 3.29Å; P92-L96 WeakPolarHBondContact O-CB 3.35Å; P92-L96 PolarHBondContact O-N 3.04Å |
| 93 | L | 88.6 | Confident | 87 | Confident | 93 Ų | 93 | 60.3 Ų | 60.3 | 49% | 0.487 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -69.1 | -33.5 | 179.7 | -60.7 | -178 | 0 | 0 | 0 | 112.5 | R91 T97 | R91-L93 VanDerWaalsContact C-N 3.31Å; R91-L93 PolarHBondContact O-N 3.49Å; L93-T97 PolarHBondContact O-N 2.85Å; L93-T97 PolarHBondContact O-OG1 3.33Å |
| 94 | C | 84.5 | Confident | 86.9 | Confident | 9 Ų | 9 | 63.3 Ų | 63.3 | 6% | 0.061 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.9 | -50.2 | 176.1 | -164.6 | 0 | 0 | 0 | 0 | 110.2 | F76 R91 P92 L96 T97 F98 | F76-C94 HydrophobicContact CE2-CB 4.13Å; R91-C94 HydrophobicContact CB-CB 4.13Å; R91-C94 WeakPolarHBondContact O-CB 3.37Å; R91-C94 PolarHBondContact O-N 3.08Å; R91-C94 VanDerWaalsContact O-N 3.16Å; P92-C94 VanDerWaalsContact C-N 3.34Å; P92-C94 PolarHBondContact O-N 3.04Å; C94-L96 VanDerWaalsContact C-N 3.32Å; C94-L96 PolarHBondContact O-N 3.13Å; C94-T97 PolarHBondContact O-N 3.27Å; C94-F98 WeakPolarHBondContact O-CG 3.29Å; C94-F98 PolarHBondContact O-N 2.98Å; C94-F98 WeakPolarHBondContact SG-CZ 3.41Å |
| 95 | I | 88.3 | Confident | 86.7 | Confident | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.2 | -38.7 | 176.8 | -60.4 | -49.4 | 0 | 0 | 0 | 111.9 | D61 V62 I71 F76 R91 P92 T97 F98 K99 | D61-I95 HydrophobicContact CB-CG2 4.07Å; V62-I95 HydrophobicContact CG1-CG2 3.71Å; I71-I95 HydrophobicContact CG1-CG2 4.06Å; I71-I95 HydrophobicContact CG2-CB 4.05Å; I71-I95 HydrophobicContact CG2-CG2 4.02Å; F76-I95 HydrophobicContact CD2-CD1 3.47Å; F76-I95 VanDerWaalsContact CD2-CD1 3.47Å; F76-I95 HydrophobicContact CD2-CG1 3.92Å; F76-I95 HydrophobicContact CE2-CD1 3.61Å; F76-I95 HydrophobicContact CE2-CG1 4.4Å; F76-I95 HydrophobicContact CG-CD1 4.3Å; F76-I95 VanDerWaalsContact O-CD1 3.24Å; F76-I95 WeakPolarHBondContact O-CD1 3.49Å; R91-I95 PolarHBondContact O-N 3.35Å; P92-I95 PolarHBondContact O-N 3.33Å; I95-T97 VanDerWaalsContact C-N 3.29Å; I95-T97 PolarHBondContact O-N 3.29Å; I95-F98 HydrophobicContact CD1-CD2 3.85Å; I95-F98 HydrophobicContact CD1-CE2 4.12Å; I95-F98 PolarHBondContact O-N 3.47Å; I95-K99 PolarHBondContact O-N 3.42Å |
| 96 | L | 88.9 | Confident | 86.7 | Confident | 46 Ų | 46 | 54.8 Ų | 54.8 | 24% | 0.241 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.8 | -42.4 | 173.7 | -178.6 | 61.7 | 0 | 0 | 0 | 111.3 | L68 I71 P92 C94 K99 L100 | L68-L96 HydrophobicContact CD2-CD1 3.85Å; I71-L96 HydrophobicContact CD1-CD1 4.11Å; I71-L96 HydrophobicContact CG2-CB 4.48Å; P92-L96 VanDerWaalsContact O-CB 3.29Å; P92-L96 WeakPolarHBondContact O-CB 3.35Å; P92-L96 PolarHBondContact O-N 3.04Å; C94-L96 VanDerWaalsContact C-N 3.32Å; C94-L96 PolarHBondContact O-N 3.13Å; L96-K99 WeakPolarHBondContact O-CB 3.43Å; L96-K99 PolarHBondContact O-N 3.46Å; L96-L100 HydrophobicContact CG-CD1 4.43Å; L96-L100 WeakPolarHBondContact O-CG 3.17Å; L96-L100 PolarHBondContact O-N 3.22Å |
| 97 | T | 86.6 | Confident | 86.6 | Confident | 39 Ų | 39 | 57.5 Ų | 57.5 | 24% | 0.239 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70.9 | -36.6 | 180 | -46 | 0 | 0 | 0 | 0 | 111.8 | L93 C94 I95 K99 L100 N101 L165 | L93-T97 PolarHBondContact O-N 2.85Å; L93-T97 PolarHBondContact O-OG1 3.33Å; C94-T97 PolarHBondContact O-N 3.27Å; I95-T97 VanDerWaalsContact C-N 3.29Å; I95-T97 PolarHBondContact O-N 3.29Å; T97-K99 VanDerWaalsContact C-N 3.34Å; T97-K99 PolarHBondContact O-N 2.93Å; T97-L100 PolarHBondContact O-N 3.19Å; T97-N101 WeakPolarHBondContact O-CB 3.28Å; T97-N101 VanDerWaalsContact O-CG 3.27Å; T97-N101 PolarHBondContact O-N 2.84Å; T97-N101 PolarHBondContact O-ND2 3.1Å; T97-L165 VanDerWaalsContact CB-CD2 3.46Å; T97-L165 HydrophobicContact CG2-CD2 3.09Å |
| 98 | F | 87.9 | Confident | 86.6 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 0% | 0.004 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.1 | -44.1 | 170.4 | -62 | -24.2 | 0 | 0 | 0 | 112 | A55 I56 V62 F76 C94 I95 L100 N101 I102 F112 V162 | A55-F98 HydrophobicContact CB-CE2 4.02Å; I56-F98 HydrophobicContact CD1-CD1 4.17Å; I56-F98 HydrophobicContact CD1-CD2 4.36Å; I56-F98 HydrophobicContact CD1-CE1 4.18Å; I56-F98 HydrophobicContact CD1-CE2 4.37Å; I56-F98 HydrophobicContact CD1-CG 4.27Å; I56-F98 HydrophobicContact CD1-CZ 4.28Å; I56-F98 HydrophobicContact CG1-CB 4.35Å; I56-F98 HydrophobicContact CG1-CD1 4.28Å; I56-F98 HydrophobicContact CG1-CD2 3.71Å; I56-F98 HydrophobicContact CG1-CE2 4.01Å; I56-F98 HydrophobicContact CG1-CG 3.87Å; I56-F98 HydrophobicContact CG1-CZ 4.42Å; V62-F98 HydrophobicContact CB-CB 4.42Å; V62-F98 HydrophobicContact CG1-CB 3.84Å; F76-F98 AromaticContact CE2-CE2 3.95Å; F76-F98 HydrophobicContact CE2-CE2 3.95Å; F76-F98 HydrophobicContact CZ-CE2 4.02Å; C94-F98 WeakPolarHBondContact O-CG 3.29Å; C94-F98 PolarHBondContact O-N 2.98Å; C94-F98 WeakPolarHBondContact SG-CZ 3.41Å; I95-F98 HydrophobicContact CD1-CD2 3.85Å; I95-F98 HydrophobicContact CD1-CE2 4.12Å; I95-F98 PolarHBondContact O-N 3.47Å; F98-L100 PolarHBondContact O-N 2.88Å; F98-N101 PolarHBondContact O-N 3.07Å; F98-I102 WeakPolarHBondContact O-CD1 3.26Å; F98-I102 VanDerWaalsContact O-CG1 3.25Å; F98-I102 WeakPolarHBondContact O-CG1 3Å; F98-I102 PolarHBondContact O-N 2.78Å; F98-F112 HydrophobicContact CB-CE1 4.46Å; F98-F112 HydrophobicContact CD1-CD1 4.46Å; F98-F112 HydrophobicContact CD1-CE1 4.17Å; F98-V162 HydrophobicContact CE1-CG1 3.75Å; F98-V162 HydrophobicContact CZ-CG1 4.25Å; F98-V162 WeakPolarHBondContact CZ-O 3.5Å |
| 99 | K | 89.9 | Confident | 86.5 | Confident | 11 Ų | 11 | 49.6 Ų | 49.6 | 5% | 0.048 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.3 | -45.9 | 175.1 | -172.6 | -179.7 | -176.8 | 91.5 | 0 | 111.6 | D61 V62 R63 S66 L68 I71 I95 L96 T97 N101 I102 L103 | D61-K99 PolarHBondContact O-NZ 3.03Å; V62-K99 HydrophobicContact CB-CB 4.45Å; R63-K99 PolarHBondContact O-NZ 3.03Å; S66-K99 PolarHBondContact O-NZ 3.5Å; S66-K99 PolarHBondContact OG-NZ 3.36Å; L68-K99 HydrophobicContact CD2-CD 3.89Å; I71-K99 HydrophobicContact CD1-CD 3.8Å; I95-K99 PolarHBondContact O-N 3.42Å; L96-K99 WeakPolarHBondContact O-CB 3.43Å; L96-K99 PolarHBondContact O-N 3.46Å; T97-K99 VanDerWaalsContact C-N 3.34Å; T97-K99 PolarHBondContact O-N 2.93Å; K99-N101 VanDerWaalsContact C-N 3.33Å; K99-N101 PolarHBondContact O-N 3.21Å; K99-I102 PolarHBondContact O-N 3.03Å; K99-L103 HydrophobicContact CG-CD1 4.22Å; K99-L103 VanDerWaalsContact O-CG 3.25Å; K99-L103 WeakPolarHBondContact O-CG 3.36Å; K99-L103 PolarHBondContact O-N 3.44Å |
| 100 | L | 88.8 | Confident | 86.4 | Confident | 86 Ų | 86 | 52.2 Ų | 52.2 | 45% | 0.45 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 176.7 | -71.1 | 173.1 | 0 | 0 | 0 | 111.5 | L96 T97 F98 I102 L103 L104 | L96-L100 HydrophobicContact CG-CD1 4.43Å; L96-L100 WeakPolarHBondContact O-CG 3.17Å; L96-L100 PolarHBondContact O-N 3.22Å; T97-L100 PolarHBondContact O-N 3.19Å; F98-L100 PolarHBondContact O-N 2.88Å; L100-I102 VanDerWaalsContact C-N 3.32Å; L100-I102 PolarHBondContact O-N 3.41Å; L100-L103 PolarHBondContact O-N 3.28Å; L100-L104 WeakPolarHBondContact O-CG 3.09Å; L100-L104 PolarHBondContact O-N 3.31Å |
| 101 | N | 87.2 | Confident | 86.3 | Confident | 10 Ų | 10 | 49.6 Ų | 49.6 | 5% | 0.053 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.7 | -42.1 | 176.4 | -74 | -23.6 | 0 | 0 | 0 | 111.9 | T97 F98 K99 L104 G105 Y111 F112 I115 | T97-N101 WeakPolarHBondContact O-CB 3.28Å; T97-N101 VanDerWaalsContact O-CG 3.27Å; T97-N101 PolarHBondContact O-N 2.84Å; T97-N101 PolarHBondContact O-ND2 3.1Å; F98-N101 PolarHBondContact O-N 3.07Å; K99-N101 VanDerWaalsContact C-N 3.33Å; K99-N101 PolarHBondContact O-N 3.21Å; N101-L104 PolarHBondContact O-N 3.22Å; N101-G105 PolarHBondContact O-N 2.94Å; N101-Y111 HydrophobicContact CB-CD1 4.27Å; N101-Y111 HydrophobicContact CB-CE1 4.17Å; N101-Y111 WeakPolarHBondContact O-CE1 3.38Å; N101-F112 HydrophobicContact CB-CD1 4.08Å; N101-F112 HydrophobicContact CB-CE1 3.64Å; N101-F112 HydrophobicContact CB-CZ 4.15Å; N101-I115 WeakPolarHBondContact OD1-CD1 3.32Å |
| 102 | I | 89 | Confident | 86 | Confident | 10 Ų | 10 | 44.8 Ų | 44.8 | 5% | 0.051 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67.3 | -38.3 | 177.1 | -64.6 | 161.5 | 0 | 0 | 0 | 111.7 | I56 V62 P64 F98 K99 L100 L104 G106 M107 F112 | I56-I102 HydrophobicContact CG2-CD1 4.31Å; V62-I102 HydrophobicContact CB-CD1 3.63Å; V62-I102 HydrophobicContact CG2-CD1 3.46Å; V62-I102 VanDerWaalsContact CG2-CD1 3.46Å; V62-I102 WeakPolarHBondContact O-CD1 3.38Å; P64-I102 HydrophobicContact CG-CG2 4.29Å; F98-I102 WeakPolarHBondContact O-CD1 3.26Å; F98-I102 VanDerWaalsContact O-CG1 3.25Å; F98-I102 WeakPolarHBondContact O-CG1 3Å; F98-I102 PolarHBondContact O-N 2.78Å; K99-I102 PolarHBondContact O-N 3.03Å; L100-I102 VanDerWaalsContact C-N 3.32Å; L100-I102 PolarHBondContact O-N 3.41Å; I102-L104 VanDerWaalsContact C-N 3.28Å; I102-L104 PolarHBondContact O-N 3.42Å; I102-G106 WeakPolarHBondContact CA-O 3.44Å; I102-G106 WeakPolarHBondContact O-CA 3.19Å; I102-G106 PolarHBondContact O-N 2.94Å; I102-M107 HydrophobicContact CB-SD 4.35Å; I102-M107 HydrophobicContact CD1-SD 3.36Å; I102-M107 WeakPolarHBondContact CD1-SD 3.1Å; I102-M107 HydrophobicContact CG1-SD 3.51Å; I102-M107 VanDerWaalsContact CG1-SD 3.51Å; I102-M107 HydrophobicContact CG2-CG 4.1Å; I102-M107 HydrophobicContact CG2-SD 3.86Å; I102-F112 HydrophobicContact CD1-CZ 4.39Å; I102-F112 HydrophobicContact CG1-CZ 3.71Å |
| 103 | L | 87.8 | Confident | 85.8 | Confident | 96 Ų | 96 | 44.1 Ų | 44.1 | 50% | 0.503 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.9 | -32.1 | 177.4 | -71.5 | 172.2 | 0 | 0 | 0 | 112.3 | P64 K99 L100 | P64-L103 HydrophobicContact CB-CD2 4.03Å; P64-L103 HydrophobicContact CG-CD2 4.23Å; K99-L103 HydrophobicContact CG-CD1 4.22Å; K99-L103 VanDerWaalsContact O-CG 3.25Å; K99-L103 WeakPolarHBondContact O-CG 3.36Å; K99-L103 PolarHBondContact O-N 3.44Å; L100-L103 PolarHBondContact O-N 3.28Å |
| 104 | L | 86.9 | Confident | 85.6 | Confident | 131 Ų | 131 | 43 Ų | 43 | 69% | 0.686 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -90.2 | -45.2 | -177.7 | -66.4 | 173.1 | 0 | 0 | 0 | 113.4 | L100 N101 I102 Y111 | L100-L104 WeakPolarHBondContact O-CG 3.09Å; L100-L104 PolarHBondContact O-N 3.31Å; N101-L104 PolarHBondContact O-N 3.22Å; I102-L104 VanDerWaalsContact C-N 3.28Å; I102-L104 PolarHBondContact O-N 3.42Å; L104-Y111 HydrophobicContact CB-CE1 4.22Å; L104-Y111 WeakPolarHBondContact CB-OH 3.13Å |
| 105 | G | 80.4 | Confident | 85.5 | Confident | 23 Ų | 23 | 44.1 Ų | 44.1 | 24% | 0.237 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -122.4 | 7.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | N101 T108 | N101-G105 PolarHBondContact O-N 2.94Å; G105-T108 PolarHBondContact O-OG1 2.85Å; G105-T108 VanDerWaalsContact O-OG1 3.11Å |
| 106 | G | 85 | Confident | 85.3 | Confident | 30 Ų | 30 | 44.5 Ų | 44.5 | 31% | 0.309 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | -164 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | I102 T108 | I102-G106 WeakPolarHBondContact CA-O 3.44Å; I102-G106 WeakPolarHBondContact O-CA 3.19Å; I102-G106 PolarHBondContact O-N 2.94Å; G106-T108 PolarHBondContact O-N 2.93Å |
| 107 | M | 82.8 | Confident | 85 | Confident | 70 Ų | 70 | 42.9 Ų | 42.9 | 35% | 0.345 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 22.8 | -178.1 | -70.4 | -69.4 | -54.8 | 0 | 0 | 113 | I56 V57 R63 I102 | I56-M107 HydrophobicContact CG2-CE 3.69Å; I56-M107 HydrophobicContact CG2-SD 4.29Å; V57-M107 HydrophobicContact CG2-CE 4.2Å; R63-M107 PolarHBondContact NH1-SD 3.29Å; I102-M107 HydrophobicContact CB-SD 4.35Å; I102-M107 HydrophobicContact CD1-SD 3.36Å; I102-M107 WeakPolarHBondContact CD1-SD 3.1Å; I102-M107 HydrophobicContact CG1-SD 3.51Å; I102-M107 VanDerWaalsContact CG1-SD 3.51Å; I102-M107 HydrophobicContact CG2-CG 4.1Å; I102-M107 HydrophobicContact CG2-SD 3.86Å |
| 108 | T | 83.4 | Confident | 85 | Confident | 73 Ų | 73 | 44.6 Ų | 44.6 | 45% | 0.448 | 25% | 0.251 | S | S | . | . | trans | -82.2 | 123 | -175 | 59.6 | 0 | 0 | 0 | 0 | 110.6 | G105 G106 L110 Y111 F112 | G105-T108 PolarHBondContact O-OG1 2.85Å; G105-T108 VanDerWaalsContact O-OG1 3.11Å; G106-T108 PolarHBondContact O-N 2.93Å; T108-L110 PolarHBondContact O-N 3.34Å; T108-Y111 PolarHBondContact O-N 3.49Å; T108-Y111 VanDerWaalsContact O-N 3.1Å; T108-F112 VanDerWaalsContact O-CD2 3.29Å; T108-F112 WeakPolarHBondContact O-CD2 3.22Å | ||
| 109 | P | 82.8 | Confident | 84.8 | Confident | 41 Ų | 41 | 48.2 Ų | 48.2 | 27% | 0.266 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -55.2 | -38.3 | -179.8 | -25.2 | 33.1 | 0 | 0 | 0 | 112.8 | L48 Y111 F112 H113 | L48-P109 HydrophobicContact CD1-CG 4.47Å; L48-P109 HydrophobicContact CD2-CB 4.37Å; L48-P109 HydrophobicContact CG-CB 4.08Å; L48-P109 HydrophobicContact CG-CG 4.04Å; P109-Y111 VanDerWaalsContact C-N 3.25Å; P109-Y111 PolarHBondContact O-N 3.24Å; P109-F112 WeakPolarHBondContact O-CB 3.46Å; P109-F112 PolarHBondContact O-N 3.27Å; P109-H113 PolarHBondContact O-CD2 3.38Å; P109-H113 PolarHBondContact O-N 3.07Å |
| 110 | L | 83.5 | Confident | 84.5 | Confident | 86 Ų | 86 | 48.4 Ų | 48.4 | 45% | 0.45 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -50.1 | -43.7 | 176.9 | 178.8 | 64.4 | 0 | 0 | 0 | 112.6 | L44 T108 F112 H113 I114 | L44-L110 HydrophobicContact CB-CD1 4.03Å; L44-L110 VanDerWaalsContact O-CD1 3.25Å; L44-L110 WeakPolarHBondContact O-CD1 3.25Å; T108-L110 PolarHBondContact O-N 3.34Å; L110-F112 PolarHBondContact O-N 3.49Å; L110-H113 PolarHBondContact O-N 2.96Å; L110-I114 HydrophobicContact CD1-CD1 4.07Å; L110-I114 HydrophobicContact CD1-CG1 4.27Å; L110-I114 HydrophobicContact CG-CD1 3.89Å; L110-I114 HydrophobicContact CG-CG1 4.47Å; L110-I114 VanDerWaalsContact O-CG1 3.28Å; L110-I114 WeakPolarHBondContact O-CG1 3.46Å; L110-I114 PolarHBondContact O-N 2.99Å |
| 111 | Y | 82.9 | Confident | 84.4 | Confident | 65 Ų | 65 | 44.5 Ų | 44.5 | 26% | 0.255 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66.9 | -39 | -177.9 | -170.9 | -105.5 | 0 | 0 | 0 | 112.2 | N101 L104 T108 P109 I114 I115 | N101-Y111 HydrophobicContact CB-CD1 4.27Å; N101-Y111 HydrophobicContact CB-CE1 4.17Å; N101-Y111 WeakPolarHBondContact O-CE1 3.38Å; L104-Y111 HydrophobicContact CB-CE1 4.22Å; L104-Y111 WeakPolarHBondContact CB-OH 3.13Å; T108-Y111 PolarHBondContact O-N 3.49Å; T108-Y111 VanDerWaalsContact O-N 3.1Å; P109-Y111 VanDerWaalsContact C-N 3.25Å; P109-Y111 PolarHBondContact O-N 3.24Å; Y111-I114 PolarHBondContact O-N 2.93Å; Y111-I115 HydrophobicContact CD1-CD1 3.84Å; Y111-I115 HydrophobicContact CE1-CD1 3.3Å; Y111-I115 HydrophobicContact CE1-CG1 4.39Å; Y111-I115 HydrophobicContact CE2-CD1 4.39Å; Y111-I115 WeakPolarHBondContact O-CG1 3.36Å; Y111-I115 PolarHBondContact O-N 3.21Å; Y111-I115 VanDerWaalsContact O-N 3.13Å |
| 112 | F | 82.6 | Confident | 84.4 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 174.6 | -66.8 | -89.3 | 0 | 0 | 0 | 111.4 | I56 F98 N101 I102 T108 P109 L110 I115 N116 V162 | I56-F112 HydrophobicContact CD1-CD1 4.14Å; I56-F112 HydrophobicContact CD1-CE1 3.97Å; I56-F112 HydrophobicContact CD1-CZ 4.38Å; I56-F112 HydrophobicContact CG2-CE1 4.33Å; I56-F112 HydrophobicContact CG2-CE2 4.23Å; I56-F112 HydrophobicContact CG2-CZ 3.76Å; F98-F112 HydrophobicContact CB-CE1 4.46Å; F98-F112 HydrophobicContact CD1-CD1 4.46Å; F98-F112 HydrophobicContact CD1-CE1 4.17Å; N101-F112 HydrophobicContact CB-CD1 4.08Å; N101-F112 HydrophobicContact CB-CE1 3.64Å; N101-F112 HydrophobicContact CB-CZ 4.15Å; I102-F112 HydrophobicContact CD1-CZ 4.39Å; I102-F112 HydrophobicContact CG1-CZ 3.71Å; T108-F112 VanDerWaalsContact O-CD2 3.29Å; T108-F112 WeakPolarHBondContact O-CD2 3.22Å; P109-F112 WeakPolarHBondContact O-CB 3.46Å; P109-F112 PolarHBondContact O-N 3.27Å; L110-F112 PolarHBondContact O-N 3.49Å; F112-I115 PolarHBondContact O-N 3.45Å; F112-N116 PolarHBondContact O-N 3.14Å; F112-V162 HydrophobicContact CB-CG1 4.25Å; F112-V162 HydrophobicContact CB-CG2 4.32Å; F112-V162 HydrophobicContact CD1-CG1 4.14Å |
| 113 | H | 83.4 | Confident | 84.4 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.009 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.6 | -41 | 178.3 | -64.9 | -57.5 | 0 | 0 | 0 | 112.3 | S43 L44 G46 P109 L110 I115 N116 V117 | S43-H113 PolarHBondContact O-CD2 3.28Å; S43-H113 VanDerWaalsContact O-CG 3.3Å; L44-H113 HydrophobicContact CD2-CB 3.99Å; G46-H113 PolarHBondContact O-NE2 2.83Å; P109-H113 PolarHBondContact O-CD2 3.38Å; P109-H113 PolarHBondContact O-N 3.07Å; L110-H113 PolarHBondContact O-N 2.96Å; H113-I115 VanDerWaalsContact C-N 3.33Å; H113-I115 PolarHBondContact O-N 3.24Å; H113-N116 PolarHBondContact O-N 2.93Å; H113-V117 VanDerWaalsContact O-CG2 3.32Å; H113-V117 WeakPolarHBondContact O-CG2 3.25Å; H113-V117 PolarHBondContact O-N 3.27Å |
| 114 | I | 84.5 | Confident | 84.4 | Confident | 70 Ų | 70 | 44.3 Ų | 44.3 | 36% | 0.359 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -57.3 | -48 | 174.4 | -71.3 | 168.8 | 0 | 0 | 0 | 110.4 | L44 L110 Y111 N116 V117 C118 | L44-I114 HydrophobicContact CD2-CG1 3.88Å; L110-I114 HydrophobicContact CD1-CD1 4.07Å; L110-I114 HydrophobicContact CD1-CG1 4.27Å; L110-I114 HydrophobicContact CG-CD1 3.89Å; L110-I114 HydrophobicContact CG-CG1 4.47Å; L110-I114 VanDerWaalsContact O-CG1 3.28Å; L110-I114 WeakPolarHBondContact O-CG1 3.46Å; L110-I114 PolarHBondContact O-N 2.99Å; Y111-I114 PolarHBondContact O-N 2.93Å; I114-N116 PolarHBondContact O-N 3.34Å; I114-V117 PolarHBondContact O-N 3.12Å; I114-C118 WeakPolarHBondContact O-CB 3.25Å; I114-C118 PolarHBondContact O-N 3.39Å; I114-C118 PolarHBondContact O-SG 2.94Å |
| 115 | I | 83.6 | Confident | 84.5 | Confident | 33 Ų | 33 | 39.5 Ų | 39.5 | 17% | 0.169 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.3 | -42.8 | -180 | -71.4 | 178.5 | 0 | 0 | 0 | 111.4 | N101 Y111 F112 H113 V117 C118 L119 | N101-I115 WeakPolarHBondContact OD1-CD1 3.32Å; Y111-I115 HydrophobicContact CD1-CD1 3.84Å; Y111-I115 HydrophobicContact CE1-CD1 3.3Å; Y111-I115 HydrophobicContact CE1-CG1 4.39Å; Y111-I115 HydrophobicContact CE2-CD1 4.39Å; Y111-I115 WeakPolarHBondContact O-CG1 3.36Å; Y111-I115 PolarHBondContact O-N 3.21Å; Y111-I115 VanDerWaalsContact O-N 3.13Å; F112-I115 PolarHBondContact O-N 3.45Å; H113-I115 VanDerWaalsContact C-N 3.33Å; H113-I115 PolarHBondContact O-N 3.24Å; I115-V117 PolarHBondContact O-N 3.03Å; I115-C118 PolarHBondContact O-N 2.77Å; I115-L119 HydrophobicContact CG2-CD1 3.74Å; I115-L119 HydrophobicContact CG2-CG 4.32Å; I115-L119 WeakPolarHBondContact O-CB 3.44Å; I115-L119 VanDerWaalsContact O-CG 3.31Å; I115-L119 WeakPolarHBondContact O-CG 3.4Å; I115-L119 PolarHBondContact O-N 2.79Å |
| 116 | N | 83.4 | Confident | 84.9 | Confident | 11 Ų | 11 | 43.4 Ų | 43.4 | 6% | 0.059 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.1 | -43.8 | 176.6 | -73.3 | -6.1 | 0 | 0 | 0 | 111.8 | F112 H113 I114 L119 H120 L165 | F112-N116 PolarHBondContact O-N 3.14Å; H113-N116 PolarHBondContact O-N 2.93Å; I114-N116 PolarHBondContact O-N 3.34Å; N116-L119 PolarHBondContact O-N 3.3Å; N116-H120 WeakPolarHBondContact O-CB 3.17Å; N116-H120 PolarHBondContact O-N 3.27Å; N116-L165 WeakPolarHBondContact OD1-CD1 3.25Å |
| 117 | V | 83 | Confident | 85.1 | Confident | 13 Ų | 13 | 44.1 Ų | 44.1 | 8% | 0.079 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.4 | -43.7 | 176.9 | 173.7 | 0 | 0 | 0 | 0 | 111 | L44 H113 I114 I115 L119 H120 C121 | L44-V117 HydrophobicContact CD2-CG2 4.14Å; H113-V117 VanDerWaalsContact O-CG2 3.32Å; H113-V117 WeakPolarHBondContact O-CG2 3.25Å; H113-V117 PolarHBondContact O-N 3.27Å; I114-V117 PolarHBondContact O-N 3.12Å; I115-V117 PolarHBondContact O-N 3.03Å; V117-L119 PolarHBondContact O-N 3.46Å; V117-H120 PolarHBondContact O-N 3.47Å; V117-C121 WeakPolarHBondContact O-CB 3.39Å; V117-C121 PolarHBondContact O-N 3.17Å; V117-C121 PolarHBondContact O-SG 3.43Å |
| 118 | C | 85.7 | Confident | 85.5 | Confident | 74 Ų | 74 | 41 Ų | 41 | 50% | 0.5 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.5 | -43.4 | 176.4 | -71.6 | 0 | 0 | 0 | 0 | 112.1 | I114 I115 C121 A122 | I114-C118 WeakPolarHBondContact O-CB 3.25Å; I114-C118 PolarHBondContact O-N 3.39Å; I114-C118 PolarHBondContact O-SG 2.94Å; I115-C118 PolarHBondContact O-N 2.77Å; C118-C121 WeakPolarHBondContact O-CB 3.23Å; C118-C121 PolarHBondContact O-N 3.39Å; C118-A122 WeakPolarHBondContact O-CB 3.34Å; C118-A122 PolarHBondContact O-N 3.46Å |
| 119 | L | 83.2 | Confident | 85.9 | Confident | 78 Ų | 78 | 42.2 Ų | 42.2 | 41% | 0.408 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -66.4 | -41.4 | 177.3 | -73.6 | 169.7 | 0 | 0 | 0 | 111.7 | I115 N116 V117 C121 A122 V123 L165 | I115-L119 HydrophobicContact CG2-CD1 3.74Å; I115-L119 HydrophobicContact CG2-CG 4.32Å; I115-L119 WeakPolarHBondContact O-CB 3.44Å; I115-L119 VanDerWaalsContact O-CG 3.31Å; I115-L119 WeakPolarHBondContact O-CG 3.4Å; I115-L119 PolarHBondContact O-N 2.79Å; N116-L119 PolarHBondContact O-N 3.3Å; V117-L119 PolarHBondContact O-N 3.46Å; L119-C121 VanDerWaalsContact C-N 3.34Å; L119-C121 PolarHBondContact O-N 3.34Å; L119-A122 PolarHBondContact O-N 3.06Å; L119-V123 WeakPolarHBondContact O-CG2 3.33Å; L119-V123 PolarHBondContact O-N 3.08Å; L119-L165 HydrophobicContact CD1-CD1 3.3Å; L119-L165 HydrophobicContact CD1-CG 4.13Å |
| 120 | H | 85.2 | Confident | 86.2 | Confident | 14 Ų | 14 | 42.9 Ų | 42.9 | 7% | 0.065 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.9 | -41.1 | 175.7 | -172 | 49.2 | 0 | 0 | 0 | 112 | C36 Y40 N116 V117 A122 V123 T124 F149 A150 V159 | C36-H120 PolarHBondContact SG-CD2 2.92Å; Y40-H120 AromaticContact CD2-CD2 3.74Å; Y40-H120 AromaticContact CE2-CD2 3.21Å; Y40-H120 WeakPolarHBondContact CE2-CD2 3.26Å; Y40-H120 AromaticContact CE2-NE2 3.34Å; Y40-H120 VanDerWaalsContact CE2-NE2 3.34Å; Y40-H120 WeakPolarHBondContact CE2-NE2 3.49Å; Y40-H120 AromaticContact CZ-CD2 3.85Å; Y40-H120 AromaticContact CZ-NE2 3.75Å; N116-H120 WeakPolarHBondContact O-CB 3.17Å; N116-H120 PolarHBondContact O-N 3.27Å; V117-H120 PolarHBondContact O-N 3.47Å; H120-A122 PolarHBondContact O-N 3.03Å; H120-V123 PolarHBondContact O-N 3.48Å; H120-T124 VanDerWaalsContact O-CB 3.3Å; H120-T124 WeakPolarHBondContact O-CB 3.21Å; H120-T124 PolarHBondContact O-N 2.87Å; H120-T124 PolarHBondContact O-OG1 2.79Å; H120-F149 AromaticContact CE1-CE1 3.67Å; H120-F149 AromaticContact ND1-CE1 3.87Å; H120-A150 PolarHBondContact NE2-O 3Å; H120-A150 VanDerWaalsContact NE2-O 3.13Å; H120-V159 HydrophobicContact CB-CG2 4.1Å |
| 121 | C | 85.5 | Confident | 86.5 | Confident | 4 Ų | 4 | 39.1 Ų | 39.1 | 3% | 0.027 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.2 | -47 | 171.3 | -70.2 | 0 | 0 | 0 | 0 | 111.5 | F33 V117 C118 L119 T124 C125 | F33-C121 HydrophobicContact CD2-CB 3.74Å; F33-C121 HydrophobicContact CE2-CB 3.8Å; V117-C121 WeakPolarHBondContact O-CB 3.39Å; V117-C121 PolarHBondContact O-N 3.17Å; V117-C121 PolarHBondContact O-SG 3.43Å; C118-C121 WeakPolarHBondContact O-CB 3.23Å; C118-C121 PolarHBondContact O-N 3.39Å; L119-C121 VanDerWaalsContact C-N 3.34Å; L119-C121 PolarHBondContact O-N 3.34Å; C121-T124 PolarHBondContact O-N 3.44Å; C121-C125 PolarHBondContact O-N 2.96Å; C121-C125 PolarHBondContact O-SG 3.36Å; C121-C125 VanDerWaalsContact O-SG 3.32Å |
| 122 | A | 87.6 | Confident | 86.9 | Confident | 57 Ų | 57 | 39 Ų | 39 | 47% | 0.471 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.9 | -45.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | C118 L119 H120 C125 L126 | C118-A122 WeakPolarHBondContact O-CB 3.34Å; C118-A122 PolarHBondContact O-N 3.46Å; L119-A122 PolarHBondContact O-N 3.06Å; H120-A122 PolarHBondContact O-N 3.03Å; A122-C125 PolarHBondContact O-N 2.83Å; A122-L126 WeakPolarHBondContact O-CB 3.27Å; A122-L126 PolarHBondContact O-N 3.32Å |
| 123 | V | 88.9 | Confident | 87.2 | Confident | 54 Ų | 54 | 46 Ų | 46 | 33% | 0.327 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.8 | -39.8 | 177.4 | 174.6 | 0 | 0 | 0 | 0 | 111 | L119 H120 L126 L127 F149 | L119-V123 WeakPolarHBondContact O-CG2 3.33Å; L119-V123 PolarHBondContact O-N 3.08Å; H120-V123 PolarHBondContact O-N 3.48Å; V123-L126 PolarHBondContact O-N 3Å; V123-L127 WeakPolarHBondContact O-CB 3.23Å; V123-L127 PolarHBondContact O-N 2.81Å; V123-F149 HydrophobicContact CB-CE1 4.45Å; V123-F149 HydrophobicContact CG1-CE1 3.78Å; V123-F149 HydrophobicContact CG1-CZ 3.68Å |
| 124 | T | 87.9 | Confident | 87.6 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.2 | -46.8 | 175.2 | -62.3 | 0 | 0 | 0 | 0 | 111.5 | L32 H120 C121 L127 M128 A150 | L32-T124 HydrophobicContact CB-CG2 4.39Å; L32-T124 HydrophobicContact CD1-CG2 4.35Å; H120-T124 VanDerWaalsContact O-CB 3.3Å; H120-T124 WeakPolarHBondContact O-CB 3.21Å; H120-T124 PolarHBondContact O-N 2.87Å; H120-T124 PolarHBondContact O-OG1 2.79Å; C121-T124 PolarHBondContact O-N 3.44Å; T124-L127 PolarHBondContact O-N 3.31Å; T124-M128 PolarHBondContact O-N 2.97Å; T124-A150 HydrophobicContact CG2-CB 3.66Å |
| 125 | C | 88.6 | Confident | 87.9 | Confident | 31 Ų | 31 | 56.7 Ų | 56.7 | 21% | 0.209 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.1 | -41.2 | 176.6 | -66.2 | 0 | 0 | 0 | 0 | 111.7 | Y29 C121 A122 L127 M128 Y129 | Y29-C125 HydrophobicContact CD1-CB 4.03Å; Y29-C125 HydrophobicContact CE1-CB 4.21Å; Y29-C125 WeakPolarHBondContact CE1-O 3.47Å; C121-C125 PolarHBondContact O-N 2.96Å; C121-C125 PolarHBondContact O-SG 3.36Å; C121-C125 VanDerWaalsContact O-SG 3.32Å; A122-C125 PolarHBondContact O-N 2.83Å; C125-L127 VanDerWaalsContact C-N 3.31Å; C125-L127 PolarHBondContact O-N 3.24Å; C125-M128 PolarHBondContact O-N 3.18Å; C125-Y129 PolarHBondContact O-N 2.58Å |
| 126 | L | 89.6 | Confident | 88.1 | Confident | 104 Ų | 104 | 58.3 Ų | 58.3 | 55% | 0.545 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.6 | -38.4 | 176.7 | -178.5 | 62.4 | 0 | 0 | 0 | 111.9 | A122 V123 Y129 T130 | A122-L126 WeakPolarHBondContact O-CB 3.27Å; A122-L126 PolarHBondContact O-N 3.32Å; V123-L126 PolarHBondContact O-N 3Å; L126-Y129 HydrophobicContact CD1-CD1 4.5Å; L126-Y129 PolarHBondContact O-N 3.13Å; L126-T130 WeakPolarHBondContact O-CB 3.29Å; L126-T130 PolarHBondContact O-N 2.84Å; L126-T130 PolarHBondContact O-OG1 2.73Å |
| 127 | L | 89.8 | Confident | 88.2 | Confident | 45 Ų | 45 | 67.5 Ų | 67.5 | 24% | 0.236 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.1 | -47.6 | 174.5 | 179.2 | 63.4 | 0 | 0 | 0 | 110.7 | V123 T124 C125 Y129 T130 C131 F149 | V123-L127 WeakPolarHBondContact O-CB 3.23Å; V123-L127 PolarHBondContact O-N 2.81Å; T124-L127 PolarHBondContact O-N 3.31Å; C125-L127 VanDerWaalsContact C-N 3.31Å; C125-L127 PolarHBondContact O-N 3.24Å; L127-Y129 VanDerWaalsContact C-N 3.31Å; L127-Y129 PolarHBondContact O-N 3.41Å; L127-T130 PolarHBondContact O-N 3.39Å; L127-C131 WeakPolarHBondContact O-CB 3.44Å; L127-C131 PolarHBondContact O-N 3.48Å; L127-C131 PolarHBondContact O-SG 2.82Å; L127-C131 VanDerWaalsContact O-SG 3.41Å; L127-F149 HydrophobicContact CD2-CB 3.45Å; L127-F149 VanDerWaalsContact CD2-CB 3.45Å; L127-F149 HydrophobicContact CD2-CD1 3.93Å; L127-F149 HydrophobicContact CD2-CD2 3.71Å; L127-F149 HydrophobicContact CD2-CE2 4.44Å; L127-F149 HydrophobicContact CD2-CG 3.41Å; L127-F149 VanDerWaalsContact CD2-CG 3.41Å |
| 128 | M | 90.6 | Very high | 88.4 | Confident | 4 Ų | 4 | 70.6 Ų | 70.6 | 2% | 0.02 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -55.8 | -48.6 | 175.4 | -176.5 | 162.8 | -178.7 | 0 | 0 | 111.2 | C28 Y29 L32 T124 C125 T130 C131 E132 F143 A146 | C28-M128 HydrophobicContact CB-CE 3.71Å; C28-M128 HydrophobicContact CB-SD 4.31Å; Y29-M128 HydrophobicContact CE1-CB 4.02Å; Y29-M128 HydrophobicContact CE1-CG 4.15Å; Y29-M128 HydrophobicContact CE1-SD 4.33Å; Y29-M128 HydrophobicContact CE2-SD 4.43Å; L32-M128 HydrophobicContact CD1-CB 4.09Å; L32-M128 HydrophobicContact CD1-CG 4.27Å; L32-M128 HydrophobicContact CD1-SD 3.29Å; L32-M128 WeakPolarHBondContact CD1-SD 3.24Å; L32-M128 HydrophobicContact CG-SD 4.45Å; T124-M128 PolarHBondContact O-N 2.97Å; C125-M128 PolarHBondContact O-N 3.18Å; M128-T130 VanDerWaalsContact C-N 3.32Å; M128-T130 PolarHBondContact O-N 2.87Å; M128-C131 PolarHBondContact O-N 3.3Å; M128-E132 VanDerWaalsContact O-CB 3.29Å; M128-E132 WeakPolarHBondContact O-CB 3.48Å; M128-E132 PolarHBondContact O-N 3.3Å; M128-F143 HydrophobicContact CE-CB 3.89Å; M128-F143 HydrophobicContact CE-CD2 4.04Å; M128-F143 HydrophobicContact CE-CG 4.48Å; M128-F143 HydrophobicContact SD-CD2 4.09Å; M128-A146 HydrophobicContact CB-CB 3.64Å; M128-A146 HydrophobicContact CG-CB 4.29Å |
| 129 | Y | 90.8 | Very high | 88.4 | Confident | 99 Ų | 99 | 69.6 Ų | 69.6 | 39% | 0.388 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.9 | -43.8 | 177.8 | 175.5 | -100.5 | 0 | 0 | 0 | 112.1 | Y29 C125 L126 L127 E132 R133 | Y29-Y129 VanDerWaalsContact OH-CA 3.24Å; Y29-Y129 WeakPolarHBondContact OH-CA 3.28Å; Y29-Y129 PolarHBondContact OH-N 2.97Å; C125-Y129 PolarHBondContact O-N 2.58Å; L126-Y129 HydrophobicContact CD1-CD1 4.5Å; L126-Y129 PolarHBondContact O-N 3.13Å; L127-Y129 VanDerWaalsContact C-N 3.31Å; L127-Y129 PolarHBondContact O-N 3.41Å; Y129-E132 PolarHBondContact O-N 2.83Å; Y129-R133 HydrophobicContact CD2-CG 4.16Å; Y129-R133 HydrophobicContact CE1-CG 4.38Å; Y129-R133 HydrophobicContact CE2-CG 3.8Å; Y129-R133 WeakPolarHBondContact O-CB 3.46Å; Y129-R133 VanDerWaalsContact O-CG 3.27Å; Y129-R133 WeakPolarHBondContact O-CG 3.33Å; Y129-R133 PolarHBondContact O-N 3.41Å |
| 130 | T | 90.4 | Very high | 88.6 | Confident | 55 Ų | 55 | 68.4 Ų | 68.4 | 34% | 0.337 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.3 | -43.6 | -179.3 | -55.7 | 0 | 0 | 0 | 0 | 111.1 | L126 L127 M128 R133 W134 | L126-T130 WeakPolarHBondContact O-CB 3.29Å; L126-T130 PolarHBondContact O-N 2.84Å; L126-T130 PolarHBondContact O-OG1 2.73Å; L127-T130 PolarHBondContact O-N 3.39Å; M128-T130 VanDerWaalsContact C-N 3.32Å; M128-T130 PolarHBondContact O-N 2.87Å; T130-R133 PolarHBondContact O-N 2.59Å; T130-W134 WeakPolarHBondContact O-CB 3.06Å; T130-W134 PolarHBondContact O-N 3.31Å |
| 131 | C | 90.3 | Very high | 88.8 | Confident | 8 Ų | 8 | 72 Ų | 72 | 5% | 0.054 | 36% | 0.363 | C | S | . | . | I | π-helix | trans | -63.7 | -42.3 | 177.8 | -75.6 | 0 | 0 | 0 | 0 | 112.2 | L127 M128 R133 V135 F136 A142 | L127-C131 WeakPolarHBondContact O-CB 3.44Å; L127-C131 PolarHBondContact O-N 3.48Å; L127-C131 PolarHBondContact O-SG 2.82Å; L127-C131 VanDerWaalsContact O-SG 3.41Å; M128-C131 PolarHBondContact O-N 3.3Å; C131-R133 VanDerWaalsContact C-N 3.34Å; C131-V135 PolarHBondContact O-N 3.5Å; C131-F136 HydrophobicContact CB-CD2 3.96Å; C131-F136 HydrophobicContact CB-CE2 4.2Å; C131-F136 PolarHBondContact O-N 3.16Å; C131-A142 HydrophobicContact CB-CB 3.67Å |
| 132 | E | 90.3 | Very high | 89 | Confident | 61 Ų | 61 | 71.8 Ų | 71.8 | 29% | 0.285 | 36% | 0.362 | S | S | . | . | I | π-helix | trans | -65.3 | -35.5 | 177.7 | -173 | -173.3 | 172 | 0 | 0 | 112.3 | Y29 M128 Y129 A142 | Y29-E132 PolarHBondContact OH-OE2 3.27Å; M128-E132 VanDerWaalsContact O-CB 3.29Å; M128-E132 WeakPolarHBondContact O-CB 3.48Å; M128-E132 PolarHBondContact O-N 3.3Å; Y129-E132 PolarHBondContact O-N 2.83Å; E132-A142 HydrophobicContact CB-CB 4.16Å |
| 133 | R | 89.4 | Confident | 89.1 | Confident | 149 Ų | 149 | 70.6 Ų | 70.6 | 56% | 0.562 | 35% | 0.346 | S | S | * | . | I | π-helix | trans | -91.5 | -29.8 | -175 | -66 | -54.5 | -176.8 | 95.3 | -0.5 | 115 | Y129 T130 C131 | Y129-R133 HydrophobicContact CD2-CG 4.16Å; Y129-R133 HydrophobicContact CE1-CG 4.38Å; Y129-R133 HydrophobicContact CE2-CG 3.8Å; Y129-R133 WeakPolarHBondContact O-CB 3.46Å; Y129-R133 VanDerWaalsContact O-CG 3.27Å; Y129-R133 WeakPolarHBondContact O-CG 3.33Å; Y129-R133 PolarHBondContact O-N 3.41Å; T130-R133 PolarHBondContact O-N 2.59Å; C131-R133 VanDerWaalsContact C-N 3.34Å |
| 134 | W | 91.5 | Very high | 89.2 | Confident | 207 Ų | 207 | 73.8 Ų | 73.8 | 78% | 0.784 | 36% | 0.356 | S | S | * | . | I | π-helix | trans | -130.2 | -14.3 | -165.2 | -54.6 | 103.1 | 0 | 0 | 0 | 114.7 | T130 | T130-W134 WeakPolarHBondContact O-CB 3.06Å; T130-W134 PolarHBondContact O-N 3.31Å |
| 135 | V | 90.4 | Very high | 89.3 | Confident | 89 Ų | 89 | 76.2 Ų | 76.2 | 54% | 0.539 | 37% | 0.371 | S | S | . | . | I | π-helix | trans | -116.8 | -50 | -170.8 | -173 | 0 | 0 | 0 | 0 | 112.1 | C131 | C131-V135 PolarHBondContact O-N 3.5Å |
| 136 | F | 88.9 | Confident | 89.2 | Confident | 66 Ų | 66 | 74.8 Ų | 74.8 | 29% | 0.289 | 36% | 0.361 | S | S | . | . | trans | -117.4 | 134.8 | -174.6 | -57.4 | -61.5 | 0 | 0 | 0 | 111.2 | C131 L141 A142 T145 | C131-F136 HydrophobicContact CB-CD2 3.96Å; C131-F136 HydrophobicContact CB-CE2 4.2Å; C131-F136 PolarHBondContact O-N 3.16Å; F136-L141 HydrophobicContact CB-CB 4.22Å; F136-L141 HydrophobicContact CD1-CB 4.15Å; F136-L141 HydrophobicContact CD1-CD1 4.17Å; F136-L141 HydrophobicContact CD2-CB 4.09Å; F136-L141 HydrophobicContact CG-CB 3.9Å; F136-A142 HydrophobicContact CD2-CB 4.15Å; F136-T145 WeakPolarHBondContact CE2-OG1 3.24Å | ||
| 137 | E | 84.6 | Confident | 89.2 | Confident | 205 Ų | 205 | 71.7 Ų | 71.7 | 96% | 0.958 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -73.6 | -21.5 | 167.3 | -62.3 | 179.8 | -175.9 | 0 | 0 | 111.8 | ||
| 138 | N | 87.3 | Confident | 89 | Confident | 78 Ų | 78 | 75.2 Ų | 75.2 | 42% | 0.417 | 36% | 0.363 | S | S | . | . | trans | -99.3 | 115.2 | -179.1 | -171.1 | -31.3 | 0 | 0 | 0 | 111.1 | C140 L141 A142 | N138-C140 PolarHBondContact O-N 2.96Å; N138-C140 VanDerWaalsContact OD1-CB 3.26Å; N138-C140 WeakPolarHBondContact OD1-CB 3.49Å; N138-C140 PolarHBondContact OD1-N 3.44Å; N138-L141 HydrophobicContact CB-CD1 4.08Å; N138-L141 HydrophobicContact CB-CG 4.14Å; N138-L141 PolarHBondContact O-N 2.89Å; N138-L141 VanDerWaalsContact O-N 3.1Å; N138-A142 PolarHBondContact O-N 3.42Å | ||
| 139 | P | 84.8 | Confident | 88.8 | Confident | 53 Ų | 53 | 77.2 Ų | 77.2 | 34% | 0.344 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.7 | -25.4 | -178 | 26.4 | -34.9 | 0 | 0 | 0 | 113.2 | L141 A142 F143 | P139-L141 VanDerWaalsContact C-N 3.35Å; P139-A142 PolarHBondContact O-N 2.82Å; P139-F143 PolarHBondContact O-N 3.01Å |
| 140 | C | 88.8 | Confident | 88.4 | Confident | 53 Ų | 53 | 72.5 Ų | 72.5 | 36% | 0.358 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.5 | -39.2 | 175.2 | -63.3 | 0 | 0 | 0 | 0 | 111.4 | N138 F143 F144 | N138-C140 PolarHBondContact O-N 2.96Å; N138-C140 VanDerWaalsContact OD1-CB 3.26Å; N138-C140 WeakPolarHBondContact OD1-CB 3.49Å; N138-C140 PolarHBondContact OD1-N 3.44Å; C140-F143 PolarHBondContact O-N 3.48Å; C140-F144 WeakPolarHBondContact O-CD2 3.39Å; C140-F144 PolarHBondContact O-N 3.31Å |
| 141 | L | 89.5 | Confident | 87.9 | Confident | 88 Ų | 88 | 73.2 Ų | 73.2 | 46% | 0.461 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.4 | -43.9 | 177.5 | -67.9 | 178 | 0 | 0 | 0 | 110.8 | F136 N138 P139 F143 F144 T145 | F136-L141 HydrophobicContact CB-CB 4.22Å; F136-L141 HydrophobicContact CD1-CB 4.15Å; F136-L141 HydrophobicContact CD1-CD1 4.17Å; F136-L141 HydrophobicContact CD2-CB 4.09Å; F136-L141 HydrophobicContact CG-CB 3.9Å; N138-L141 HydrophobicContact CB-CD1 4.08Å; N138-L141 HydrophobicContact CB-CG 4.14Å; N138-L141 PolarHBondContact O-N 2.89Å; N138-L141 VanDerWaalsContact O-N 3.1Å; P139-L141 VanDerWaalsContact C-N 3.35Å; L141-F143 VanDerWaalsContact C-N 3.31Å; L141-F143 PolarHBondContact O-N 3.21Å; L141-F144 PolarHBondContact O-N 3.15Å; L141-T145 PolarHBondContact O-N 3.26Å; L141-T145 PolarHBondContact O-OG1 2.9Å |
| 142 | A | 89.5 | Confident | 87.1 | Confident | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -58.1 | -43.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | C131 E132 F136 N138 P139 T145 A146 | C131-A142 HydrophobicContact CB-CB 3.67Å; E132-A142 HydrophobicContact CB-CB 4.16Å; F136-A142 HydrophobicContact CD2-CB 4.15Å; N138-A142 PolarHBondContact O-N 3.42Å; P139-A142 PolarHBondContact O-N 2.82Å; A142-T145 PolarHBondContact O-N 2.92Å; A142-A146 WeakPolarHBondContact O-CB 3.19Å; A142-A146 PolarHBondContact O-N 3.42Å |
| 143 | F | 90.3 | Very high | 85.3 | Confident | 33 Ų | 33 | 78.7 Ų | 78.7 | 15% | 0.145 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61.8 | -48.8 | 175.7 | 175.7 | -100.6 | 0 | 0 | 0 | 112.3 | C28 L32 M128 P139 C140 L141 T145 A146 L147 | C28-F143 HydrophobicContact CB-CD2 3.78Å; C28-F143 HydrophobicContact CB-CE2 4.04Å; L32-F143 HydrophobicContact CD1-CD2 4.24Å; L32-F143 HydrophobicContact CD1-CE2 4.39Å; L32-F143 HydrophobicContact CD2-CD2 4.34Å; L32-F143 HydrophobicContact CD2-CE2 3.93Å; L32-F143 HydrophobicContact CD2-CZ 4.48Å; L32-F143 HydrophobicContact CG-CD2 4.13Å; L32-F143 HydrophobicContact CG-CE2 3.79Å; M128-F143 HydrophobicContact CE-CB 3.89Å; M128-F143 HydrophobicContact CE-CD2 4.04Å; M128-F143 HydrophobicContact CE-CG 4.48Å; M128-F143 HydrophobicContact SD-CD2 4.09Å; P139-F143 PolarHBondContact O-N 3.01Å; C140-F143 PolarHBondContact O-N 3.48Å; L141-F143 VanDerWaalsContact C-N 3.31Å; L141-F143 PolarHBondContact O-N 3.21Å; F143-T145 VanDerWaalsContact C-N 3.34Å; F143-T145 PolarHBondContact O-N 3.44Å; F143-A146 PolarHBondContact O-N 3.08Å; F143-L147 HydrophobicContact CE1-CD2 4.03Å; F143-L147 HydrophobicContact CZ-CD2 4.41Å; F143-L147 VanDerWaalsContact O-CB 3.29Å; F143-L147 WeakPolarHBondContact O-CB 3.26Å; F143-L147 PolarHBondContact O-N 2.78Å |
| 144 | F | 91.1 | Very high | 83.5 | Confident | 121 Ų | 121 | 76.2 Ų | 76.2 | 53% | 0.531 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.7 | -36.3 | -179.8 | -79 | -66.5 | 0 | 0 | 0 | 112.5 | C140 L141 L147 L148 | C140-F144 WeakPolarHBondContact O-CD2 3.39Å; C140-F144 PolarHBondContact O-N 3.31Å; L141-F144 PolarHBondContact O-N 3.15Å; F144-L147 HydrophobicContact CD1-CD2 4.28Å; F144-L147 PolarHBondContact O-N 2.85Å; F144-L148 WeakPolarHBondContact O-CB 3.29Å; F144-L148 VanDerWaalsContact O-CG 3.27Å; F144-L148 WeakPolarHBondContact O-CG 3.32Å; F144-L148 PolarHBondContact O-N 3.15Å |
| 145 | T | 88.6 | Confident | 81.7 | Confident | 52 Ų | 52 | 68.8 Ų | 68.8 | 32% | 0.319 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.1 | -46.3 | 173.2 | -59.7 | 0 | 0 | 0 | 0 | 111.4 | F136 L141 A142 F143 L148 F149 | F136-T145 WeakPolarHBondContact CE2-OG1 3.24Å; L141-T145 PolarHBondContact O-N 3.26Å; L141-T145 PolarHBondContact O-OG1 2.9Å; A142-T145 PolarHBondContact O-N 2.92Å; F143-T145 VanDerWaalsContact C-N 3.34Å; F143-T145 PolarHBondContact O-N 3.44Å; T145-L148 PolarHBondContact O-N 3.29Å; T145-F149 PolarHBondContact O-N 3.4Å |
| 146 | A | 87.6 | Confident | 79.7 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67.7 | -37 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L32 M128 A142 F143 F149 A150 | L32-A146 HydrophobicContact CD1-CB 3.76Å; M128-A146 HydrophobicContact CB-CB 3.64Å; M128-A146 HydrophobicContact CG-CB 4.29Å; A142-A146 WeakPolarHBondContact O-CB 3.19Å; A142-A146 PolarHBondContact O-N 3.42Å; F143-A146 PolarHBondContact O-N 3.08Å; A146-F149 WeakPolarHBondContact O-CB 3.36Å; A146-F149 PolarHBondContact O-N 2.76Å; A146-A150 WeakPolarHBondContact O-CB 3.22Å; A146-A150 PolarHBondContact O-N 3.19Å |
| 147 | L | 88.3 | Confident | 77.6 | Confident | 40 Ų | 40 | 70.5 Ų | 70.5 | 21% | 0.209 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.4 | -44.9 | 175.7 | 179.2 | 63.9 | 0 | 0 | 0 | 111.4 | L32 L35 F143 F144 A150 V151 | L32-L147 HydrophobicContact CD2-CB 3.81Å; L32-L147 HydrophobicContact CD2-CD1 3.94Å; L35-L147 HydrophobicContact CD1-CD1 3.74Å; F143-L147 HydrophobicContact CE1-CD2 4.03Å; F143-L147 HydrophobicContact CZ-CD2 4.41Å; F143-L147 VanDerWaalsContact O-CB 3.29Å; F143-L147 WeakPolarHBondContact O-CB 3.26Å; F143-L147 PolarHBondContact O-N 2.78Å; F144-L147 HydrophobicContact CD1-CD2 4.28Å; F144-L147 PolarHBondContact O-N 2.85Å; L147-A150 PolarHBondContact O-N 3.06Å; L147-V151 HydrophobicContact CD1-CG2 4.11Å; L147-V151 WeakPolarHBondContact O-CG2 3.3Å; L147-V151 PolarHBondContact O-N 2.78Å; L147-V151 VanDerWaalsContact O-N 3.1Å |
| 148 | L | 86.4 | Confident | 76 | Confident | 118 Ų | 118 | 62.1 Ų | 62.1 | 62% | 0.618 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -58.3 | -51.3 | 173.3 | -74.7 | 171.1 | 0 | 0 | 0 | 109.3 | F144 T145 A150 V151 H152 | F144-L148 WeakPolarHBondContact O-CB 3.29Å; F144-L148 VanDerWaalsContact O-CG 3.27Å; F144-L148 WeakPolarHBondContact O-CG 3.32Å; F144-L148 PolarHBondContact O-N 3.15Å; T145-L148 PolarHBondContact O-N 3.29Å; L148-A150 VanDerWaalsContact C-N 3.3Å; L148-A150 PolarHBondContact O-N 3.05Å; L148-V151 PolarHBondContact O-N 3.39Å; L148-H152 WeakPolarHBondContact O-CA 3.41Å; L148-H152 WeakPolarHBondContact O-CB 3.14Å; L148-H152 PolarHBondContact O-N 3.04Å |
| 149 | F | 85.6 | Confident | 73.9 | Confident | 47 Ų | 47 | 58.8 Ų | 58.8 | 21% | 0.206 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -55.2 | -42.2 | 176.8 | -179 | -89.6 | 0 | 0 | 0 | 113.5 | H120 V123 L127 T145 A146 V151 H155 | H120-F149 AromaticContact CE1-CE1 3.67Å; H120-F149 AromaticContact ND1-CE1 3.87Å; V123-F149 HydrophobicContact CB-CE1 4.45Å; V123-F149 HydrophobicContact CG1-CE1 3.78Å; V123-F149 HydrophobicContact CG1-CZ 3.68Å; L127-F149 HydrophobicContact CD2-CB 3.45Å; L127-F149 VanDerWaalsContact CD2-CB 3.45Å; L127-F149 HydrophobicContact CD2-CD1 3.93Å; L127-F149 HydrophobicContact CD2-CD2 3.71Å; L127-F149 HydrophobicContact CD2-CE2 4.44Å; L127-F149 HydrophobicContact CD2-CG 3.41Å; L127-F149 VanDerWaalsContact CD2-CG 3.41Å; T145-F149 PolarHBondContact O-N 3.4Å; A146-F149 WeakPolarHBondContact O-CB 3.36Å; A146-F149 PolarHBondContact O-N 2.76Å; F149-V151 PolarHBondContact O-N 3.16Å; F149-H155 AromaticContact CD2-CD2 3.9Å; F149-H155 AromaticContact CD2-NE2 3.28Å; F149-H155 VanDerWaalsContact CD2-NE2 3.28Å; F149-H155 WeakPolarHBondContact CD2-NE2 3.43Å; F149-H155 AromaticContact CE2-CD2 3.86Å; F149-H155 AromaticContact CE2-CE1 3.44Å; F149-H155 VanDerWaalsContact CE2-CE1 3.44Å; F149-H155 WeakPolarHBondContact CE2-CE1 3.5Å; F149-H155 AromaticContact CE2-NE2 3.17Å; F149-H155 WeakPolarHBondContact CE2-NE2 3.25Å; F149-H155 AromaticContact CZ-NE2 3.95Å; F149-H155 PolarHBondContact O-CD2 3.06Å |
| 150 | A | 82.6 | Confident | 72 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.5 | -41.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | C36 Y40 H120 T124 A146 L147 L148 | C36-A150 HydrophobicContact CB-CB 4.28Å; Y40-A150 WeakPolarHBondContact CE2-O 3.38Å; Y40-A150 PolarHBondContact OH-O 3.04Å; H120-A150 PolarHBondContact NE2-O 3Å; H120-A150 VanDerWaalsContact NE2-O 3.13Å; T124-A150 HydrophobicContact CG2-CB 3.66Å; A146-A150 WeakPolarHBondContact O-CB 3.22Å; A146-A150 PolarHBondContact O-N 3.19Å; L147-A150 PolarHBondContact O-N 3.06Å; L148-A150 VanDerWaalsContact C-N 3.3Å; L148-A150 PolarHBondContact O-N 3.05Å |
| 151 | V | 80.6 | Confident | 69.9 | Low | 70 Ų | 70 | 57.4 Ų | 57.4 | 42% | 0.424 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -99.6 | -15.4 | -171.5 | -175.5 | 0 | 0 | 0 | 0 | 112.1 | L147 L148 F149 | L147-V151 HydrophobicContact CD1-CG2 4.11Å; L147-V151 WeakPolarHBondContact O-CG2 3.3Å; L147-V151 PolarHBondContact O-N 2.78Å; L147-V151 VanDerWaalsContact O-N 3.1Å; L148-V151 PolarHBondContact O-N 3.39Å; F149-V151 PolarHBondContact O-N 3.16Å |
| 152 | H | 72.8 | Confident | 68.1 | Low | 93 Ų | 93 | 53.3 Ų | 53.3 | 43% | 0.431 | 29% | 0.289 | S | S | . | . | trans | -67.5 | 125.5 | -170.1 | -165 | -85.7 | 0 | 0 | 0 | 111.8 | L148 V154 H155 | L148-H152 WeakPolarHBondContact O-CA 3.41Å; L148-H152 WeakPolarHBondContact O-CB 3.14Å; L148-H152 PolarHBondContact O-N 3.04Å; H152-V154 WeakPolarHBondContact ND1-CB 3.37Å; H152-V154 WeakPolarHBondContact ND1-CG1 3.42Å; H152-V154 PolarHBondContact ND1-N 2.91Å; H152-V154 VanDerWaalsContact ND1-N 3.17Å; H152-V154 PolarHBondContact O-N 2.72Å; H152-H155 PolarHBondContact O-N 3.2Å; H152-H155 VanDerWaalsContact O-N 3.12Å | ||
| 153 | P | 53.5 | Low | 66.2 | Low | 91 Ų | 91 | 54 Ų | 54 | 59% | 0.591 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -69.2 | -9.3 | -172.1 | 24.7 | -32.9 | 0 | 0 | 0 | 114.8 | H155 T156 | P153-H155 PolarHBondContact O-N 2.6Å; P153-T156 WeakPolarHBondContact CA-OG1 3.42Å; P153-T156 WeakPolarHBondContact O-CB 3.08Å; P153-T156 PolarHBondContact O-N 2.94Å; P153-T156 PolarHBondContact O-OG1 2.97Å; P153-T156 VanDerWaalsContact O-OG1 3.14Å |
| 154 | V | 50.8 | Low | 64.1 | Low | 97 Ų | 97 | 57.3 Ų | 57.3 | 59% | 0.588 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -62.1 | -25.4 | 171.5 | 82.7 | 0 | 0 | 0 | 0 | 112.4 | H152 T156 | H152-V154 WeakPolarHBondContact ND1-CB 3.37Å; H152-V154 WeakPolarHBondContact ND1-CG1 3.42Å; H152-V154 PolarHBondContact ND1-N 2.91Å; H152-V154 VanDerWaalsContact ND1-N 3.17Å; H152-V154 PolarHBondContact O-N 2.72Å; V154-T156 VanDerWaalsContact C-N 3.35Å |
| 155 | H | 53 | Low | 62 | Low | 51 Ų | 51 | 52.9 Ų | 52.9 | 24% | 0.236 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -87.5 | -8.5 | 173.3 | -61.7 | -58.2 | 0 | 0 | 0 | 112.2 | F149 H152 P153 E157 A158 V159 | F149-H155 AromaticContact CD2-CD2 3.9Å; F149-H155 AromaticContact CD2-NE2 3.28Å; F149-H155 VanDerWaalsContact CD2-NE2 3.28Å; F149-H155 WeakPolarHBondContact CD2-NE2 3.43Å; F149-H155 AromaticContact CE2-CD2 3.86Å; F149-H155 AromaticContact CE2-CE1 3.44Å; F149-H155 VanDerWaalsContact CE2-CE1 3.44Å; F149-H155 WeakPolarHBondContact CE2-CE1 3.5Å; F149-H155 AromaticContact CE2-NE2 3.17Å; F149-H155 WeakPolarHBondContact CE2-NE2 3.25Å; F149-H155 AromaticContact CZ-NE2 3.95Å; F149-H155 PolarHBondContact O-CD2 3.06Å; H152-H155 PolarHBondContact O-N 3.2Å; H152-H155 VanDerWaalsContact O-N 3.12Å; P153-H155 PolarHBondContact O-N 2.6Å; H155-E157 VanDerWaalsContact C-N 3.27Å; H155-E157 PolarHBondContact O-N 3.1Å; H155-A158 CarbonylContact O-C 3.57Å; H155-A158 WeakPolarHBondContact O-CA 3.42Å; H155-A158 PolarHBondContact O-N 3.32Å; H155-V159 HydrophobicContact CB-CG2 4.49Å; H155-V159 WeakPolarHBondContact O-CB 3.32Å; H155-V159 VanDerWaalsContact O-CG2 3.26Å; H155-V159 WeakPolarHBondContact O-CG2 3.5Å; H155-V159 PolarHBondContact O-N 2.93Å |
| 156 | T | 50.1 | Low | 59.8 | Low | 51 Ų | 51 | 56.1 Ų | 56.1 | 31% | 0.313 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.9 | -31.7 | 178.1 | -55.1 | 0 | 0 | 0 | 0 | 111.6 | P153 V154 A158 S160 | P153-T156 WeakPolarHBondContact CA-OG1 3.42Å; P153-T156 WeakPolarHBondContact O-CB 3.08Å; P153-T156 PolarHBondContact O-N 2.94Å; P153-T156 PolarHBondContact O-OG1 2.97Å; P153-T156 VanDerWaalsContact O-OG1 3.14Å; V154-T156 VanDerWaalsContact C-N 3.35Å; T156-A158 VanDerWaalsContact C-N 3.35Å; T156-S160 WeakPolarHBondContact CG2-OG 3.43Å; T156-S160 WeakPolarHBondContact O-CA 3.39Å; T156-S160 WeakPolarHBondContact O-CB 3.41Å; T156-S160 PolarHBondContact O-N 3.02Å; T156-S160 PolarHBondContact O-OG 3.15Å |
| 157 | E | 45.1 | Very low | 57.3 | Low | 140 Ų | 140 | 59.9 Ų | 59.9 | 65% | 0.654 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -70.4 | -29.5 | 171.5 | -70.9 | -169.1 | 173.6 | 0 | 0 | 112.6 | H155 T161 | H155-E157 VanDerWaalsContact C-N 3.27Å; H155-E157 PolarHBondContact O-N 3.1Å; E157-T161 VanDerWaalsContact O-CB 3.23Å; E157-T161 WeakPolarHBondContact O-CB 3.32Å; E157-T161 PolarHBondContact O-N 2.81Å; E157-T161 PolarHBondContact O-OG1 3.35Å |
| 158 | A | 50 | Low | 55 | Low | 29 Ų | 29 | 64.4 Ų | 64.4 | 24% | 0.24 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -82 | -27.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | H155 T156 Y164 | H155-A158 CarbonylContact O-C 3.57Å; H155-A158 WeakPolarHBondContact O-CA 3.42Å; H155-A158 PolarHBondContact O-N 3.32Å; T156-A158 VanDerWaalsContact C-N 3.35Å; A158-Y164 HydrophobicContact CB-CD2 4.39Å; A158-Y164 HydrophobicContact CB-CG 4.36Å |
| 159 | V | 43.8 | Very low | 52.6 | Low | 8 Ų | 8 | 67.5 Ų | 67.5 | 5% | 0.048 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -95.6 | -33 | -176.9 | 179.3 | 0 | 0 | 0 | 0 | 112.1 | Y40 H120 H155 | Y40-V159 HydrophobicContact CD1-CB 3.95Å; Y40-V159 HydrophobicContact CD1-CG1 3.24Å; Y40-V159 HydrophobicContact CD2-CG1 4.32Å; Y40-V159 HydrophobicContact CE1-CB 3.67Å; Y40-V159 HydrophobicContact CE1-CG1 3.51Å; Y40-V159 HydrophobicContact CE1-CG2 4.15Å; Y40-V159 HydrophobicContact CG-CG1 3.69Å; H120-V159 HydrophobicContact CB-CG2 4.1Å; H155-V159 HydrophobicContact CB-CG2 4.49Å; H155-V159 WeakPolarHBondContact O-CB 3.32Å; H155-V159 VanDerWaalsContact O-CG2 3.26Å; H155-V159 WeakPolarHBondContact O-CG2 3.5Å; H155-V159 PolarHBondContact O-N 2.93Å |
| 160 | S | 43.5 | Very low | 50.1 | Low | 44 Ų | 44 | 73.6 Ų | 73.6 | 31% | 0.308 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -96.5 | -27.7 | -177 | -42.5 | 0 | 0 | 0 | 0 | 113.4 | T156 | T156-S160 WeakPolarHBondContact CG2-OG 3.43Å; T156-S160 WeakPolarHBondContact O-CA 3.39Å; T156-S160 WeakPolarHBondContact O-CB 3.41Å; T156-S160 PolarHBondContact O-N 3.02Å; T156-S160 PolarHBondContact O-OG 3.15Å |
| 161 | T | 45.1 | Very low | 47.6 | Very low | 32 Ų | 32 | 79.8 Ų | 79.8 | 20% | 0.196 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -100.7 | 126.3 | 166.5 | -1.1 | 0 | 0 | 0 | 0 | 107 | E157 Q163 | E157-T161 VanDerWaalsContact O-CB 3.23Å; E157-T161 WeakPolarHBondContact O-CB 3.32Å; E157-T161 PolarHBondContact O-N 2.81Å; E157-T161 PolarHBondContact O-OG1 3.35Å; T161-Q163 PolarHBondContact O-N 3.29Å |
| 162 | V | 52.6 | Low | 45.4 | Very low | 3 Ų | 3 | 88 Ų | 88 | 2% | 0.018 | 46% | 0.457 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | 35.9 | 179.5 | -167.1 | 0 | 0 | 0 | 0 | 110.8 | L48 D52 I56 F98 F112 | L48-V162 HydrophobicContact CD2-CG2 3.86Å; D52-V162 HydrophobicContact CB-CB 4.32Å; D52-V162 VanDerWaalsContact CG-CB 3.48Å; D52-V162 VanDerWaalsContact CG-N 3.26Å; D52-V162 VanDerWaalsContact OD1-CA 3.23Å; D52-V162 WeakPolarHBondContact OD1-CA 3.23Å; D52-V162 WeakPolarHBondContact OD1-CB 3.33Å; D52-V162 PolarHBondContact OD1-N 3.21Å; D52-V162 WeakPolarHBondContact OD2-CB 3.47Å; D52-V162 PolarHBondContact OD2-N 3.47Å; I56-V162 HydrophobicContact CD1-CB 4.14Å; I56-V162 HydrophobicContact CD1-CG1 3.68Å; F98-V162 HydrophobicContact CE1-CG1 3.75Å; F98-V162 HydrophobicContact CZ-CG1 4.25Å; F98-V162 WeakPolarHBondContact CZ-O 3.5Å; F112-V162 HydrophobicContact CB-CG1 4.25Å; F112-V162 HydrophobicContact CB-CG2 4.32Å; F112-V162 HydrophobicContact CD1-CG1 4.14Å |
| 163 | Q | 48.2 | Very low | 44 | Very low | 14 Ų | 14 | 87.8 Ų | 87.8 | 7% | 0.065 | 46% | 0.459 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -15 | -173.9 | -166.6 | 67.4 | -11.7 | 0 | 0 | 112.5 | D51 D52 T161 | D51-Q163 HydrophobicContact CB-CG 4.32Å; D51-Q163 VanDerWaalsContact CB-OE1 3.26Å; D51-Q163 PolarHBondContact OD2-NE2 3.02Å; D52-Q163 PolarHBondContact OD1-N 3.07Å; T161-Q163 PolarHBondContact O-N 3.29Å |
| 164 | Y | 46.1 | Very low | 43.5 | Very low | 103 Ų | 103 | 87.6 Ų | 87.6 | 40% | 0.404 | 45% | 0.452 | S | S | . | . | trans | -132.5 | 66.6 | -170.9 | -63.6 | -82.2 | 0 | 0 | 0 | 114.2 | A158 F166 | A158-Y164 HydrophobicContact CB-CD2 4.39Å; A158-Y164 HydrophobicContact CB-CG 4.36Å; Y164-F166 VanDerWaalsContact C-N 3.27Å; Y164-F166 PolarHBondContact O-N 3.39Å | ||
| 165 | L | 47.6 | Very low | 43.1 | Very low | 28 Ų | 28 | 87.1 Ų | 87.1 | 15% | 0.147 | 44% | 0.444 | C | S | . | . | S | Bend | trans | -76.7 | -8.3 | 166.5 | -153.4 | 69.3 | 0 | 0 | 0 | 114 | T97 N116 L119 | T97-L165 VanDerWaalsContact CB-CD2 3.46Å; T97-L165 HydrophobicContact CG2-CD2 3.09Å; N116-L165 WeakPolarHBondContact OD1-CD1 3.25Å; L119-L165 HydrophobicContact CD1-CD1 3.3Å; L119-L165 HydrophobicContact CD1-CG 4.13Å |
| 166 | F | 42.8 | Very low | 42.5 | Very low | 119 Ų | 119 | 89.2 Ų | 89.2 | 52% | 0.522 | 46% | 0.456 | S | S | . | . | trans | -159 | 72.9 | -176.4 | -127.7 | -102.7 | 0 | 0 | 0 | 112.4 | Y164 Y169 | Y164-F166 VanDerWaalsContact C-N 3.27Å; Y164-F166 PolarHBondContact O-N 3.39Å; F166-Y169 AromaticContact CD1-CD2 3.54Å; F166-Y169 HydrophobicContact CD1-CD2 3.54Å; F166-Y169 AromaticContact CD1-CE2 3.99Å; F166-Y169 HydrophobicContact CD1-CE2 3.99Å; F166-Y169 AromaticContact CE1-CD2 3.17Å; F166-Y169 HydrophobicContact CE1-CD2 3.17Å; F166-Y169 AromaticContact CE1-CE2 3.15Å; F166-Y169 HydrophobicContact CE1-CE2 3.15Å; F166-Y169 HydrophobicContact CE1-CG 4.25Å; F166-Y169 HydrophobicContact CZ-CD2 4.16Å; F166-Y169 AromaticContact CZ-CE2 3.72Å; F166-Y169 HydrophobicContact CZ-CE2 3.72Å | ||
| 167 | S | 35.8 | Very low | 42 | Very low | 80 Ų | 80 | 91.6 Ų | 91.6 | 56% | 0.559 | 47% | 0.465 | S | S | * | . | trans | -113.6 | 48 | 171 | -164.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 168 | I | 40.1 | Very low | 41.8 | Very low | 134 Ų | 134 | 88.3 Ų | 88.3 | 69% | 0.687 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -113 | -7.2 | 170.1 | -66 | 179.2 | 0 | 0 | 0 | 112 | ||
| 169 | Y | 34.6 | Very low | 41.2 | Very low | 184 Ų | 184 | 92.6 Ų | 92.6 | 72% | 0.722 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -106.4 | 6.3 | -177.2 | -76 | -90.8 | 0 | 0 | 0 | 115.5 | F166 | F166-Y169 AromaticContact CD1-CD2 3.54Å; F166-Y169 HydrophobicContact CD1-CD2 3.54Å; F166-Y169 AromaticContact CD1-CE2 3.99Å; F166-Y169 HydrophobicContact CD1-CE2 3.99Å; F166-Y169 AromaticContact CE1-CD2 3.17Å; F166-Y169 HydrophobicContact CE1-CD2 3.17Å; F166-Y169 AromaticContact CE1-CE2 3.15Å; F166-Y169 HydrophobicContact CE1-CE2 3.15Å; F166-Y169 HydrophobicContact CE1-CG 4.25Å; F166-Y169 HydrophobicContact CZ-CD2 4.16Å; F166-Y169 AromaticContact CZ-CE2 3.72Å; F166-Y169 HydrophobicContact CZ-CE2 3.72Å |
| 170 | H | 33.9 | Very low | 41 | Very low | 174 Ų | 174 | 99.1 Ų | 99.1 | 81% | 0.806 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -116.3 | 35.3 | -177.4 | -144.2 | 74.9 | 0 | 0 | 0 | 113.3 | ||
| 171 | T | 29.6 | Very low | 40.8 | Very low | 130 Ų | 130 | 103.7 Ų | 103.7 | 80% | 0.798 | 52% | 0.516 | S | S | * | . | trans | -136.2 | 52 | 169.4 | -39.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 172 | L | 33.7 | Very low | 40.4 | Very low | 243 Ų | 243 | 110.2 Ų | 110.2 | 100% | 1.272 | 55% | 0.545 | S | S | * | . | trans | -143.9 | 0 | 152.3 | -76.7 | 178.9 | 0 | 0 | 0 | 108.3 |
Retrieved 172 of 172 residues in 253.5 ms
(Link to these results)