| 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 | 44 | Very low | 60.6 | Low | 239 Ų | 239 | 144.5 Ų | 144.5 | 100% | 1.177 | 73% | 0.729 | S | S | * | * | 0 | 88.1 | 0 | -73.3 | -176.1 | 172.8 | 0 | 0 | 108.1 | K3 | M1-K3 PolarHBondContact O-N 3Š| |||
| 2 | E | 53.4 | Low | 61.7 | Low | 196 Ų | 196 | 141.3 Ų | 141.3 | 92% | 0.916 | 70% | 0.702 | S | S | * | * | trans | -75.4 | 117.6 | -178.9 | -67.5 | -176 | 124.1 | 0 | 0 | 109.6 | R4 | E2-R4 PolarHBondContact O-N 2.92Š| ||
| 3 | K | 57.5 | Low | 62.8 | Low | 207 Ų | 207 | 134.4 Ų | 134.4 | 90% | 0.9 | 68% | 0.681 | S | S | * | * | trans | -69.3 | 110.8 | 176.3 | -71.7 | -178 | 177.2 | 179.9 | 0 | 108.1 | M1 | M1-K3 PolarHBondContact O-N 3Š| ||
| 4 | R | 65.8 | Low | 63.8 | Low | 224 Ų | 224 | 137.4 Ų | 137.4 | 85% | 0.845 | 68% | 0.682 | S | S | * | * | trans | -54.3 | 136.6 | 172.6 | -72.2 | -176.7 | -172.5 | 175.2 | 2.6 | 109.6 | E2 I6 | E2-R4 PolarHBondContact O-N 2.92Å; R4-I6 PolarHBondContact O-N 3.39Å | ||
| 5 | P | 54 | Low | 65.1 | Low | 96 Ų | 96 | 135.5 Ų | 135.5 | 62% | 0.623 | 67% | 0.668 | S | S | * | * | trans | -65.1 | 119.8 | 178.3 | 24.9 | -32 | 0 | 0 | 0 | 110.5 | I7 S8 | P5-I7 PolarHBondContact O-N 3.47Å; P5-I7 VanDerWaalsContact O-N 3.07Å; P5-S8 PolarHBondContact O-N 3Å; P5-S8 PolarHBondContact O-OG 2.74Å | ||
| 6 | I | 59.8 | Low | 65.9 | Low | 142 Ų | 142 | 132.5 Ų | 132.5 | 73% | 0.728 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -60 | -20 | -174.1 | -63.6 | 160.3 | 0 | 0 | 0 | 112.6 | R4 S8 | R4-I6 PolarHBondContact O-N 3.39Å; I6-S8 PolarHBondContact O-N 3.31Å |
| 7 | I | 55.2 | Low | 66.7 | Low | 136 Ų | 136 | 128.8 Ų | 128.8 | 70% | 0.697 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -76.1 | -5.7 | -174.6 | -50.5 | 171.5 | 0 | 0 | 0 | 112.7 | P5 | P5-I7 PolarHBondContact O-N 3.47Å; P5-I7 VanDerWaalsContact O-N 3.07Å |
| 8 | S | 59.3 | Low | 67.6 | Low | 92 Ų | 92 | 128.9 Ų | 128.9 | 64% | 0.643 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -87.9 | -5.1 | -176.1 | 57.5 | 0 | 0 | 0 | 0 | 115.4 | P5 I6 P10 | P5-S8 PolarHBondContact O-N 3Å; P5-S8 PolarHBondContact O-OG 2.74Å; I6-S8 PolarHBondContact O-N 3.31Å; S8-P10 WeakPolarHBondContact O-CD 3.39Å |
| 9 | S | 65.8 | Low | 68.1 | Low | 48 Ų | 48 | 128.2 Ų | 128.2 | 34% | 0.336 | 64% | 0.639 | S | S | . | * | trans | -78.8 | 123.4 | 173.7 | 70.7 | 0 | 0 | 0 | 0 | 109.4 | E11 Y12 | S9-E11 PolarHBondContact O-N 3.2Å; S9-Y12 PolarHBondContact O-N 3Å; S9-Y12 PolarHBondContact OG-N 3.27Å | ||
| 10 | P | 73.4 | Confident | 68.6 | Low | 93 Ų | 93 | 125.2 Ų | 125.2 | 60% | 0.604 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -55.1 | -29.3 | 175.9 | 21.1 | -31.9 | 0 | 0 | 0 | 111.5 | S8 Y12 A13 Y14 | S8-P10 WeakPolarHBondContact O-CD 3.39Å; P10-Y12 VanDerWaalsContact C-N 3.31Å; P10-Y12 PolarHBondContact O-N 3.35Å; P10-A13 PolarHBondContact O-N 3.19Å; P10-Y14 HydrophobicContact CB-CE2 4.22Å; P10-Y14 WeakPolarHBondContact O-CD2 3.19Å; P10-Y14 PolarHBondContact O-N 3.37Å |
| 11 | E | 78.8 | Confident | 69.4 | Low | 117 Ų | 117 | 126.3 Ų | 126.3 | 55% | 0.547 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -54.9 | -40.1 | 173.5 | -160 | -165.1 | 147.6 | 0 | 0 | 113.4 | S9 K15 | S9-E11 PolarHBondContact O-N 3.2Å; E11-K15 WeakPolarHBondContact O-CG 3.24Å; E11-K15 PolarHBondContact O-N 3.15Å; E11-K15 VanDerWaalsContact O-N 3.1Å; E11-K15 WeakPolarHBondContact OE1-CE 3.49Å; E11-K15 IonicContact OE1-NZ 2.71Å; E11-K15 PolarHBondContact OE1-NZ 3.48Å |
| 12 | Y | 73.8 | Confident | 71.2 | Confident | 105 Ų | 105 | 118.8 Ų | 118.8 | 41% | 0.412 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -72.7 | -37.3 | 178 | -169.1 | -106.1 | 0 | 0 | 0 | 112.2 | S9 P10 Y14 K15 I16 | S9-Y12 PolarHBondContact O-N 3Å; S9-Y12 PolarHBondContact OG-N 3.27Å; P10-Y12 VanDerWaalsContact C-N 3.31Å; P10-Y12 PolarHBondContact O-N 3.35Å; Y12-Y14 VanDerWaalsContact C-N 3.33Å; Y12-Y14 PolarHBondContact O-N 3.49Å; Y12-K15 WeakPolarHBondContact O-CB 3.23Å; Y12-K15 PolarHBondContact O-N 2.94Å; Y12-K15 VanDerWaalsContact O-N 3.17Å; Y12-I16 HydrophobicContact CD1-CD1 3.71Å; Y12-I16 HydrophobicContact CD1-CG1 4.39Å; Y12-I16 HydrophobicContact CE1-CD1 3.34Å; Y12-I16 HydrophobicContact CE1-CG1 4.07Å; Y12-I16 PolarHBondContact O-N 3.37Å |
| 13 | A | 75.2 | Confident | 72.3 | Confident | 52 Ų | 52 | 112 Ų | 112 | 43% | 0.43 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.3 | -39.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | P10 I16 S17 | P10-A13 PolarHBondContact O-N 3.19Å; A13-I16 PolarHBondContact O-N 2.93Å; A13-S17 WeakPolarHBondContact O-CB 3.34Å; A13-S17 PolarHBondContact O-N 3.5Å; A13-S17 PolarHBondContact O-OG 3.02Å |
| 14 | Y | 76.6 | Confident | 73.4 | Confident | 177 Ų | 177 | 106.6 Ų | 106.6 | 69% | 0.694 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -63.2 | -41.3 | 171.9 | -74.2 | -63.7 | 0 | 0 | 0 | 111.7 | P10 Y12 S17 F18 | P10-Y14 HydrophobicContact CB-CE2 4.22Å; P10-Y14 WeakPolarHBondContact O-CD2 3.19Å; P10-Y14 PolarHBondContact O-N 3.37Å; Y12-Y14 VanDerWaalsContact C-N 3.33Å; Y12-Y14 PolarHBondContact O-N 3.49Å; Y14-S17 PolarHBondContact O-N 3.36Å; Y14-F18 WeakPolarHBondContact O-CB 3.38Å; Y14-F18 PolarHBondContact O-N 3.29Å |
| 15 | K | 83.4 | Confident | 74 | Confident | 108 Ų | 108 | 99.6 Ų | 99.6 | 47% | 0.47 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.1 | -44.6 | 176.5 | -73.1 | 171.6 | -172.9 | 172.2 | 0 | 112.3 | E11 Y12 F18 L19 | E11-K15 WeakPolarHBondContact O-CG 3.24Å; E11-K15 PolarHBondContact O-N 3.15Å; E11-K15 VanDerWaalsContact O-N 3.1Å; E11-K15 WeakPolarHBondContact OE1-CE 3.49Å; E11-K15 IonicContact OE1-NZ 2.71Å; E11-K15 PolarHBondContact OE1-NZ 3.48Å; Y12-K15 WeakPolarHBondContact O-CB 3.23Å; Y12-K15 PolarHBondContact O-N 2.94Å; Y12-K15 VanDerWaalsContact O-N 3.17Å; K15-F18 PolarHBondContact O-N 3.38Å; K15-L19 WeakPolarHBondContact O-CG 3.47Å; K15-L19 PolarHBondContact O-N 3.29Å |
| 16 | I | 79.2 | Confident | 74.8 | Confident | 88 Ų | 88 | 98 Ų | 98 | 45% | 0.451 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.6 | -47.7 | 176.6 | -68.5 | 168.2 | 0 | 0 | 0 | 111 | Y12 A13 F18 L19 S20 | Y12-I16 HydrophobicContact CD1-CD1 3.71Å; Y12-I16 HydrophobicContact CD1-CG1 4.39Å; Y12-I16 HydrophobicContact CE1-CD1 3.34Å; Y12-I16 HydrophobicContact CE1-CG1 4.07Å; Y12-I16 PolarHBondContact O-N 3.37Å; A13-I16 PolarHBondContact O-N 2.93Å; I16-F18 VanDerWaalsContact C-N 3.31Å; I16-F18 PolarHBondContact O-N 2.92Å; I16-L19 PolarHBondContact O-N 2.86Å; I16-S20 PolarHBondContact O-N 2.77Å |
| 17 | S | 78.4 | Confident | 75.1 | Confident | 70 Ų | 70 | 95.1 Ų | 95.1 | 49% | 0.49 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.4 | -42 | -179.7 | -56.1 | 0 | 0 | 0 | 0 | 111.2 | A13 Y14 S20 Y21 | A13-S17 WeakPolarHBondContact O-CB 3.34Å; A13-S17 PolarHBondContact O-N 3.5Å; A13-S17 PolarHBondContact O-OG 3.02Å; Y14-S17 PolarHBondContact O-N 3.36Å; S17-S20 PolarHBondContact O-N 2.89Å; S17-S20 PolarHBondContact O-OG 3.15Å; S17-Y21 PolarHBondContact O-N 2.91Å |
| 18 | F | 82.9 | Confident | 75.6 | Confident | 130 Ų | 130 | 93 Ų | 93 | 57% | 0.57 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.1 | -44 | 176.5 | -175.4 | -107 | 0 | 0 | 0 | 112.5 | Y14 K15 I16 S20 Y21 I22 | Y14-F18 WeakPolarHBondContact O-CB 3.38Å; Y14-F18 PolarHBondContact O-N 3.29Å; K15-F18 PolarHBondContact O-N 3.38Å; I16-F18 VanDerWaalsContact C-N 3.31Å; I16-F18 PolarHBondContact O-N 2.92Å; F18-S20 PolarHBondContact O-N 2.86Å; F18-Y21 PolarHBondContact O-N 3.34Å; F18-I22 HydrophobicContact CD1-CD1 3.69Å; F18-I22 HydrophobicContact CE1-CD1 3.23Å; F18-I22 HydrophobicContact CE1-CG1 4.27Å; F18-I22 HydrophobicContact CE2-CD1 4.34Å; F18-I22 HydrophobicContact CG-CD1 4.43Å; F18-I22 HydrophobicContact CZ-CD1 3.61Å; F18-I22 HydrophobicContact CZ-CG1 4.33Å; F18-I22 WeakPolarHBondContact O-CG1 3.37Å; F18-I22 PolarHBondContact O-N 3.42Å |
| 19 | L | 76.8 | Confident | 76 | Confident | 116 Ų | 116 | 94.1 Ų | 94.1 | 61% | 0.607 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.2 | -39.9 | 175.7 | -72.1 | 172.4 | 0 | 0 | 0 | 112.3 | K15 I16 Y21 I22 A23 | K15-L19 WeakPolarHBondContact O-CG 3.47Å; K15-L19 PolarHBondContact O-N 3.29Å; I16-L19 PolarHBondContact O-N 2.86Å; L19-Y21 VanDerWaalsContact C-N 3.31Å; L19-Y21 PolarHBondContact O-N 2.99Å; L19-I22 PolarHBondContact O-N 3.09Å; L19-A23 PolarHBondContact O-N 3.36Å |
| 20 | S | 79.6 | Confident | 75.7 | Confident | 67 Ų | 67 | 98 Ų | 98 | 47% | 0.469 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.8 | -36.2 | 175.8 | 74.2 | 0 | 0 | 0 | 0 | 112.4 | I16 S17 F18 A23 L24 | I16-S20 PolarHBondContact O-N 2.77Å; S17-S20 PolarHBondContact O-N 2.89Å; S17-S20 PolarHBondContact O-OG 3.15Å; F18-S20 PolarHBondContact O-N 2.86Å; S20-A23 PolarHBondContact O-N 3.1Å; S20-L24 PolarHBondContact O-N 3.48Å |
| 21 | Y | 84.2 | Confident | 75.1 | Confident | 149 Ų | 149 | 94.5 Ų | 94.5 | 58% | 0.584 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -68.5 | -44.8 | 176.7 | -172.7 | -106.8 | 0 | 0 | 0 | 111.6 | S17 F18 L19 A23 L24 I25 | S17-Y21 PolarHBondContact O-N 2.91Å; F18-Y21 PolarHBondContact O-N 3.34Å; L19-Y21 VanDerWaalsContact C-N 3.31Å; L19-Y21 PolarHBondContact O-N 2.99Å; Y21-A23 VanDerWaalsContact C-N 3.28Å; Y21-A23 PolarHBondContact O-N 3.29Å; Y21-L24 WeakPolarHBondContact O-CB 3.39Å; Y21-L24 PolarHBondContact O-N 2.95Å; Y21-L24 VanDerWaalsContact O-N 3.11Å; Y21-I25 HydrophobicContact CD1-CD1 3.87Å; Y21-I25 HydrophobicContact CE1-CD1 3.63Å; Y21-I25 HydrophobicContact CE1-CG1 4.31Å; Y21-I25 WeakPolarHBondContact O-CG1 2.94Å; Y21-I25 PolarHBondContact O-N 3.33Å |
| 22 | I | 81.3 | Confident | 74.3 | Confident | 82 Ų | 82 | 96.8 Ų | 96.8 | 42% | 0.421 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.9 | -39 | 174 | -68.2 | 174 | 0 | 0 | 0 | 111.1 | F18 L19 L24 P26 | F18-I22 HydrophobicContact CD1-CD1 3.69Å; F18-I22 HydrophobicContact CE1-CD1 3.23Å; F18-I22 HydrophobicContact CE1-CG1 4.27Å; F18-I22 HydrophobicContact CE2-CD1 4.34Å; F18-I22 HydrophobicContact CG-CD1 4.43Å; F18-I22 HydrophobicContact CZ-CD1 3.61Å; F18-I22 HydrophobicContact CZ-CG1 4.33Å; F18-I22 WeakPolarHBondContact O-CG1 3.37Å; F18-I22 PolarHBondContact O-N 3.42Å; L19-I22 PolarHBondContact O-N 3.09Å; I22-L24 VanDerWaalsContact C-N 3.32Å; I22-P26 WeakPolarHBondContact O-CD 3.36Å |
| 23 | A | 77.5 | Confident | 73.6 | Confident | 53 Ų | 53 | 97.3 Ų | 97.3 | 44% | 0.438 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -70 | -28.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | L19 S20 Y21 P26 N27 | L19-A23 PolarHBondContact O-N 3.36Å; S20-A23 PolarHBondContact O-N 3.1Å; Y21-A23 VanDerWaalsContact C-N 3.28Å; Y21-A23 PolarHBondContact O-N 3.29Å; A23-P26 WeakPolarHBondContact O-CD 3.39Å; A23-N27 PolarHBondContact O-ND2 3.31Å |
| 24 | L | 79.9 | Confident | 72.7 | Confident | 93 Ų | 93 | 98.4 Ų | 98.4 | 49% | 0.487 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -73.5 | -36.8 | 178.3 | -168.4 | 70.8 | 0 | 0 | 0 | 112.3 | S20 Y21 I22 N27 L28 | S20-L24 PolarHBondContact O-N 3.48Å; Y21-L24 WeakPolarHBondContact O-CB 3.39Å; Y21-L24 PolarHBondContact O-N 2.95Å; Y21-L24 VanDerWaalsContact O-N 3.11Å; I22-L24 VanDerWaalsContact C-N 3.32Å; L24-N27 PolarHBondContact O-N 2.88Å; L24-L28 HydrophobicContact CD2-CD1 4.28Å; L24-L28 HydrophobicContact CG-CD1 4.03Å; L24-L28 HydrophobicContact CG-CG 4.35Å; L24-L28 WeakPolarHBondContact O-CG 3.5Å; L24-L28 PolarHBondContact O-N 3.41Å |
| 25 | I | 79.6 | Confident | 72 | Confident | 78 Ų | 78 | 94.8 Ų | 94.8 | 40% | 0.4 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -57.6 | -52.5 | -177.4 | -67.3 | 164.8 | 0 | 0 | 0 | 113.5 | Y21 N27 L28 L29 | Y21-I25 HydrophobicContact CD1-CD1 3.87Å; Y21-I25 HydrophobicContact CE1-CD1 3.63Å; Y21-I25 HydrophobicContact CE1-CG1 4.31Å; Y21-I25 WeakPolarHBondContact O-CG1 2.94Å; Y21-I25 PolarHBondContact O-N 3.33Å; I25-N27 VanDerWaalsContact C-N 3.28Å; I25-N27 PolarHBondContact O-N 3.48Å; I25-L28 PolarHBondContact O-N 3.1Å; I25-L29 WeakPolarHBondContact O-CB 3.45Å; I25-L29 PolarHBondContact O-N 3.3Å |
| 26 | P | 70.7 | Confident | 70.5 | Confident | 62 Ų | 62 | 96.5 Ų | 96.5 | 40% | 0.403 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.8 | -30.2 | 179.5 | 26.1 | -32.2 | 0 | 0 | 0 | 111.6 | I22 A23 L28 L29 L30 | I22-P26 WeakPolarHBondContact O-CD 3.36Å; A23-P26 WeakPolarHBondContact O-CD 3.39Å; P26-L28 VanDerWaalsContact C-N 3.34Å; P26-L29 PolarHBondContact O-N 2.97Å; P26-L30 VanDerWaalsContact O-CB 3.27Å; P26-L30 WeakPolarHBondContact O-CB 2.97Å; P26-L30 WeakPolarHBondContact O-CD1 3.22Å; P26-L30 WeakPolarHBondContact O-CG 3.27Å; P26-L30 PolarHBondContact O-N 2.89Å |
| 27 | N | 64.9 | Low | 69.4 | Low | 81 Ų | 81 | 95.5 Ų | 95.5 | 43% | 0.433 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.8 | -36.4 | 173.4 | -75.4 | -47.8 | 0 | 0 | 0 | 112 | A23 L24 I25 C31 | A23-N27 PolarHBondContact O-ND2 3.31Å; L24-N27 PolarHBondContact O-N 2.88Å; I25-N27 VanDerWaalsContact C-N 3.28Å; I25-N27 PolarHBondContact O-N 3.48Å; N27-C31 PolarHBondContact O-SG 3.19Å; N27-C31 VanDerWaalsContact O-SG 3.34Å |
| 28 | L | 67 | Low | 68.5 | Low | 93 Ų | 93 | 97.6 Ų | 97.6 | 49% | 0.487 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -74.9 | -38.1 | 171.6 | -69.3 | 172.2 | 0 | 0 | 0 | 112 | L24 I25 P26 C31 F32 | L24-L28 HydrophobicContact CD2-CD1 4.28Å; L24-L28 HydrophobicContact CG-CD1 4.03Å; L24-L28 HydrophobicContact CG-CG 4.35Å; L24-L28 WeakPolarHBondContact O-CG 3.5Å; L24-L28 PolarHBondContact O-N 3.41Å; I25-L28 PolarHBondContact O-N 3.1Å; P26-L28 VanDerWaalsContact C-N 3.34Å; L28-C31 WeakPolarHBondContact O-CA 3.38Å; L28-C31 WeakPolarHBondContact O-CB 3.41Å; L28-C31 PolarHBondContact O-N 2.78Å; L28-F32 WeakPolarHBondContact O-CD2 3.38Å; L28-F32 PolarHBondContact O-N 2.95Å |
| 29 | L | 67.4 | Low | 67.3 | Low | 115 Ų | 115 | 95.7 Ų | 95.7 | 60% | 0.602 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67 | -37.5 | 179.2 | -165.9 | 72.3 | 0 | 0 | 0 | 111.5 | I25 P26 C31 F32 D33 | I25-L29 WeakPolarHBondContact O-CB 3.45Å; I25-L29 PolarHBondContact O-N 3.3Å; P26-L29 PolarHBondContact O-N 2.97Å; L29-C31 PolarHBondContact O-N 3.33Å; L29-F32 PolarHBondContact O-N 2.82Å; L29-D33 PolarHBondContact O-N 3.48Å; L29-D33 VanDerWaalsContact O-N 3.1Å |
| 30 | L | 59 | Low | 66.3 | Low | 128 Ų | 128 | 93.6 Ų | 93.6 | 67% | 0.67 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.6 | -26.6 | 168.6 | -78.7 | 165.3 | 0 | 0 | 0 | 112 | P26 F32 | P26-L30 VanDerWaalsContact O-CB 3.27Å; P26-L30 WeakPolarHBondContact O-CB 2.97Å; P26-L30 WeakPolarHBondContact O-CD1 3.22Å; P26-L30 WeakPolarHBondContact O-CG 3.27Å; P26-L30 PolarHBondContact O-N 2.89Å; L30-F32 VanDerWaalsContact C-N 3.34Å |
| 31 | C | 60.2 | Low | 65.3 | Low | 21 Ų | 21 | 94.1 Ų | 94.1 | 14% | 0.142 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -75.1 | -19.9 | 169.8 | -63.7 | 0 | 0 | 0 | 0 | 113 | N27 L28 L29 F48 | N27-C31 PolarHBondContact O-SG 3.19Å; N27-C31 VanDerWaalsContact O-SG 3.34Å; L28-C31 WeakPolarHBondContact O-CA 3.38Å; L28-C31 WeakPolarHBondContact O-CB 3.41Å; L28-C31 PolarHBondContact O-N 2.78Å; L29-C31 PolarHBondContact O-N 3.33Å; C31-F48 VanDerWaalsContact CA-CE2 3.49Å; C31-F48 HydrophobicContact CB-CE2 4.02Å; C31-F48 HydrophobicContact CB-CZ 3.9Å; C31-F48 WeakPolarHBondContact O-CE2 3.47Å; C31-F48 WeakPolarHBondContact O-CZ 3.47Å |
| 32 | F | 62 | Low | 64.3 | Low | 165 Ų | 165 | 94.9 Ų | 94.9 | 72% | 0.724 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -97.9 | -25.9 | -177.2 | -85.8 | -80.1 | 0 | 0 | 0 | 114.5 | L28 L29 L30 S34 | L28-F32 WeakPolarHBondContact O-CD2 3.38Å; L28-F32 PolarHBondContact O-N 2.95Å; L29-F32 PolarHBondContact O-N 2.82Å; L30-F32 VanDerWaalsContact C-N 3.34Å; F32-S34 PolarHBondContact O-N 3.33Å; F32-S34 PolarHBondContact O-OG 2.78Å |
| 33 | D | 59.4 | Low | 63.5 | Low | 115 Ų | 115 | 98.3 Ų | 98.3 | 62% | 0.615 | 55% | 0.551 | S | S | * | * | trans | -74.6 | 70.5 | 177.9 | -166.7 | 10.7 | 0 | 0 | 0 | 112.2 | L29 S35 | L29-D33 PolarHBondContact O-N 3.48Å; L29-D33 VanDerWaalsContact O-N 3.1Å; D33-S35 PolarHBondContact OD1-OG 3.32Å | ||
| 34 | S | 57.5 | Low | 62.9 | Low | 75 Ų | 75 | 98.4 Ų | 98.4 | 52% | 0.524 | 55% | 0.546 | S | S | . | . | trans | -94.1 | 1.8 | 171.6 | 53.7 | 0 | 0 | 0 | 0 | 112 | F32 N36 | F32-S34 PolarHBondContact O-N 3.33Å; F32-S34 PolarHBondContact O-OG 2.78Å; S34-N36 PolarHBondContact O-N 3Å; S34-N36 VanDerWaalsContact O-N 3.15Å | ||
| 35 | S | 61.5 | Low | 62.5 | Low | 101 Ų | 101 | 100.3 Ų | 100.3 | 71% | 0.706 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -8.6 | -169.7 | 36.5 | 0 | 0 | 0 | 0 | 115.7 | D33 | D33-S35 PolarHBondContact OD1-OG 3.32Š|
| 36 | N | 52.2 | Low | 62.2 | Low | 145 Ų | 145 | 103.1 Ų | 103.1 | 78% | 0.775 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.7 | 17.8 | -175.8 | -109.4 | -3.5 | 0 | 0 | 0 | 115.4 | S34 S38 | S34-N36 PolarHBondContact O-N 3Å; S34-N36 VanDerWaalsContact O-N 3.15Å; N36-S38 VanDerWaalsContact C-N 3.26Å; N36-S38 PolarHBondContact O-N 3.46Å |
| 37 | I | 55.2 | Low | 62.4 | Low | 67 Ų | 67 | 105.9 Ų | 105.9 | 34% | 0.344 | 57% | 0.571 | S | S | . | * | trans | -82 | 73.4 | 178.3 | -54 | 166.4 | 0 | 0 | 0 | 109.6 | V44 | I37-V44 HydrophobicContact CD1-CB 4.09Å; I37-V44 HydrophobicContact CD1-CG1 3.36Å; I37-V44 HydrophobicContact CG1-CB 4.38Å; I37-V44 HydrophobicContact CG1-CG1 3.79Å; I37-V44 HydrophobicContact CG2-CB 3.61Å; I37-V44 HydrophobicContact CG2-CG1 3.99Å; I37-V44 HydrophobicContact CG2-CG2 3.66Å | ||
| 38 | S | 59.2 | Low | 62.9 | Low | 113 Ų | 113 | 105.7 Ų | 105.7 | 79% | 0.79 | 57% | 0.567 | S | S | * | * | trans | -100 | 15.3 | 176.6 | 61.6 | 0 | 0 | 0 | 0 | 114.1 | N36 | N36-S38 VanDerWaalsContact C-N 3.26Å; N36-S38 PolarHBondContact O-N 3.46Å | ||
| 39 | S | 57.7 | Low | 63.4 | Low | 91 Ų | 91 | 104.6 Ų | 104.6 | 64% | 0.636 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -136.1 | 102.8 | 174.8 | 52.8 | 0 | 0 | 0 | 0 | 111.9 | ||
| 40 | S | 57.1 | Low | 64.1 | Low | 71 Ų | 71 | 105.8 Ų | 105.8 | 50% | 0.497 | 57% | 0.567 | S | S | . | * | trans | 59.3 | 78.5 | -179 | 72.4 | 0 | 0 | 0 | 0 | 114.9 | F42 K43 | S40-F42 PolarHBondContact O-N 3.34Å; S40-K43 PolarHBondContact O-N 3.39Å | ||
| 41 | P | 57.7 | Low | 65.2 | Low | 78 Ų | 78 | 102.7 Ų | 102.7 | 51% | 0.506 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -56.6 | -25.6 | -176 | 22.5 | -33.9 | 0 | 0 | 0 | 114.1 | Q45 | P41-Q45 VanDerWaalsContact O-CB 3.24Å; P41-Q45 WeakPolarHBondContact O-CB 3.35Å; P41-Q45 PolarHBondContact O-N 3.46Å |
| 42 | F | 64 | Low | 66.1 | Low | 165 Ų | 165 | 103.3 Ų | 103.3 | 72% | 0.724 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62.4 | -47.3 | -179.4 | -74 | -80.5 | 0 | 0 | 0 | 113.7 | S40 V44 E46 | S40-F42 PolarHBondContact O-N 3.34Å; F42-V44 PolarHBondContact O-N 2.93Å; F42-E46 WeakPolarHBondContact O-CG 3.46Å; F42-E46 PolarHBondContact O-N 3.37Å |
| 43 | K | 63.3 | Low | 67.1 | Low | 155 Ų | 155 | 99.2 Ų | 99.2 | 67% | 0.674 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -69.6 | -37 | -177 | -72.7 | -173.3 | 178 | -179 | 0 | 112.3 | S40 H47 | S40-K43 PolarHBondContact O-N 3.39Å; K43-H47 PolarHBondContact O-N 3.4Å |
| 44 | V | 64.5 | Low | 68.3 | Low | 54 Ų | 54 | 100.5 Ų | 100.5 | 33% | 0.327 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -76.4 | -36.1 | -178.3 | -170.9 | 0 | 0 | 0 | 0 | 111 | I37 F42 E46 H47 F48 | I37-V44 HydrophobicContact CD1-CB 4.09Å; I37-V44 HydrophobicContact CD1-CG1 3.36Å; I37-V44 HydrophobicContact CG1-CB 4.38Å; I37-V44 HydrophobicContact CG1-CG1 3.79Å; I37-V44 HydrophobicContact CG2-CB 3.61Å; I37-V44 HydrophobicContact CG2-CG1 3.99Å; I37-V44 HydrophobicContact CG2-CG2 3.66Å; F42-V44 PolarHBondContact O-N 2.93Å; V44-E46 VanDerWaalsContact C-N 3.35Å; V44-E46 PolarHBondContact O-N 2.94Å; V44-H47 PolarHBondContact O-N 3.25Å; V44-F48 WeakPolarHBondContact O-CB 3.41Å; V44-F48 PolarHBondContact O-N 3.17Å |
| 45 | Q | 72.2 | Confident | 69.3 | Low | 133 Ų | 133 | 99.6 Ų | 99.6 | 62% | 0.621 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.2 | -40.3 | 174.7 | -171.5 | 174 | 14.6 | 0 | 0 | 112 | P41 F48 S49 | P41-Q45 VanDerWaalsContact O-CB 3.24Å; P41-Q45 WeakPolarHBondContact O-CB 3.35Å; P41-Q45 PolarHBondContact O-N 3.46Å; Q45-F48 PolarHBondContact O-N 2.87Å; Q45-S49 WeakPolarHBondContact O-CB 3.48Å; Q45-S49 PolarHBondContact O-N 3.49Å; Q45-S49 PolarHBondContact O-OG 2.85Å |
| 46 | E | 73.2 | Confident | 70.4 | Confident | 137 Ų | 137 | 99.2 Ų | 99.2 | 64% | 0.64 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.9 | -50.2 | 174.1 | -75.2 | -179 | 168.4 | 0 | 0 | 111.6 | F42 V44 F48 S49 F50 | F42-E46 WeakPolarHBondContact O-CG 3.46Å; F42-E46 PolarHBondContact O-N 3.37Å; V44-E46 VanDerWaalsContact C-N 3.35Å; V44-E46 PolarHBondContact O-N 2.94Å; E46-F48 VanDerWaalsContact C-N 3.29Å; E46-F48 PolarHBondContact O-N 3.24Å; E46-S49 PolarHBondContact O-N 3.11Å; E46-S49 PolarHBondContact O-OG 3.21Å; E46-F50 PolarHBondContact O-N 3.05Å |
| 47 | H | 74.8 | Confident | 72.1 | Confident | 121 Ų | 121 | 97.8 Ų | 97.8 | 56% | 0.56 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.9 | -38.4 | 179 | -166 | -96.3 | 0 | 0 | 0 | 112.3 | K43 V44 F50 I51 | K43-H47 PolarHBondContact O-N 3.4Å; V44-H47 PolarHBondContact O-N 3.25Å; H47-F50 WeakPolarHBondContact O-CB 3.21Å; H47-F50 PolarHBondContact O-N 3.43Å; H47-I51 WeakPolarHBondContact ND1-CD1 3.34Å; H47-I51 WeakPolarHBondContact O-CG1 3.27Å; H47-I51 PolarHBondContact O-N 3.48Å |
| 48 | F | 75.7 | Confident | 73.5 | Confident | 76 Ų | 76 | 100 Ų | 100 | 33% | 0.333 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.2 | -48.5 | 176 | -176.1 | -91 | 0 | 0 | 0 | 112.2 | C31 V44 Q45 E46 F50 I51 C52 | C31-F48 VanDerWaalsContact CA-CE2 3.49Å; C31-F48 HydrophobicContact CB-CE2 4.02Å; C31-F48 HydrophobicContact CB-CZ 3.9Å; C31-F48 WeakPolarHBondContact O-CE2 3.47Å; C31-F48 WeakPolarHBondContact O-CZ 3.47Å; V44-F48 WeakPolarHBondContact O-CB 3.41Å; V44-F48 PolarHBondContact O-N 3.17Å; Q45-F48 PolarHBondContact O-N 2.87Å; E46-F48 VanDerWaalsContact C-N 3.29Å; E46-F48 PolarHBondContact O-N 3.24Å; F48-F50 PolarHBondContact O-N 2.92Å; F48-I51 PolarHBondContact O-N 3.47Å; F48-I51 VanDerWaalsContact O-N 3.15Å; F48-C52 WeakPolarHBondContact CE1-SG 3.26Å; F48-C52 VanDerWaalsContact CZ-SG 3.55Å; F48-C52 PolarHBondContact O-N 3Å |
| 49 | S | 77.5 | Confident | 74.7 | Confident | 70 Ų | 70 | 97.8 Ų | 97.8 | 49% | 0.49 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.5 | -36.1 | 177.4 | 73.3 | 0 | 0 | 0 | 0 | 111.7 | Q45 E46 S53 | Q45-S49 WeakPolarHBondContact O-CB 3.48Å; Q45-S49 PolarHBondContact O-N 3.49Å; Q45-S49 PolarHBondContact O-OG 2.85Å; E46-S49 PolarHBondContact O-N 3.11Å; E46-S49 PolarHBondContact O-OG 3.21Å; S49-S53 VanDerWaalsContact O-CB 3.23Å; S49-S53 WeakPolarHBondContact O-CB 3.42Å; S49-S53 PolarHBondContact O-N 3.33Å |
| 50 | F | 83 | Confident | 76.1 | Confident | 140 Ų | 140 | 101.5 Ų | 101.5 | 61% | 0.614 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65 | -47.6 | 174.6 | -176.8 | -95.7 | 0 | 0 | 0 | 112 | E46 H47 F48 S53 Y54 | E46-F50 PolarHBondContact O-N 3.05Å; H47-F50 WeakPolarHBondContact O-CB 3.21Å; H47-F50 PolarHBondContact O-N 3.43Å; F48-F50 PolarHBondContact O-N 2.92Å; F50-S53 PolarHBondContact O-N 2.8Å; F50-Y54 WeakPolarHBondContact O-CB 3.48Å; F50-Y54 PolarHBondContact O-N 3.23Å |
| 51 | I | 82.1 | Confident | 77.7 | Confident | 64 Ų | 64 | 101.6 Ų | 101.6 | 33% | 0.328 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.2 | -46.4 | 176.9 | -67.5 | 165.1 | 0 | 0 | 0 | 111.1 | H47 F48 S53 Y54 N55 | H47-I51 WeakPolarHBondContact ND1-CD1 3.34Å; H47-I51 WeakPolarHBondContact O-CG1 3.27Å; H47-I51 PolarHBondContact O-N 3.48Å; F48-I51 PolarHBondContact O-N 3.47Å; F48-I51 VanDerWaalsContact O-N 3.15Å; I51-S53 PolarHBondContact O-N 3.39Å; I51-Y54 PolarHBondContact O-N 2.95Å; I51-N55 WeakPolarHBondContact O-CB 3.48Å; I51-N55 PolarHBondContact O-N 2.96Å; I51-N55 PolarHBondContact O-ND2 2.88Å |
| 52 | C | 79 | Confident | 79.3 | Confident | 34 Ų | 34 | 103.2 Ų | 103.2 | 23% | 0.23 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 178.9 | -73.1 | 0 | 0 | 0 | 0 | 111.7 | F48 Y54 N55 I56 | F48-C52 WeakPolarHBondContact CE1-SG 3.26Å; F48-C52 VanDerWaalsContact CZ-SG 3.55Å; F48-C52 PolarHBondContact O-N 3Å; C52-Y54 VanDerWaalsContact C-N 3.34Å; C52-Y54 PolarHBondContact O-N 3.48Å; C52-N55 PolarHBondContact O-N 3.42Å; C52-I56 VanDerWaalsContact O-CG1 3.27Å; C52-I56 WeakPolarHBondContact O-CG1 3.42Å; C52-I56 PolarHBondContact O-N 3.23Å |
| 53 | S | 81.7 | Confident | 80.4 | Confident | 78 Ų | 78 | 99.1 Ų | 99.1 | 55% | 0.545 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.8 | -43.8 | 175.7 | -172.7 | 0 | 0 | 0 | 0 | 111.7 | S49 F50 I51 I56 H57 | S49-S53 VanDerWaalsContact O-CB 3.23Å; S49-S53 WeakPolarHBondContact O-CB 3.42Å; S49-S53 PolarHBondContact O-N 3.33Å; F50-S53 PolarHBondContact O-N 2.8Å; I51-S53 PolarHBondContact O-N 3.39Å; S53-I56 PolarHBondContact O-N 3.46Å; S53-H57 WeakPolarHBondContact O-CB 3.48Å; S53-H57 PolarHBondContact O-N 3.48Å |
| 54 | Y | 85.8 | Confident | 81.9 | Confident | 143 Ų | 143 | 96.8 Ų | 96.8 | 56% | 0.561 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -60.6 | -46.3 | 175.8 | -179.3 | -96.2 | 0 | 0 | 0 | 112.1 | F50 I51 C52 I56 H57 F58 | F50-Y54 WeakPolarHBondContact O-CB 3.48Å; F50-Y54 PolarHBondContact O-N 3.23Å; I51-Y54 PolarHBondContact O-N 2.95Å; C52-Y54 VanDerWaalsContact C-N 3.34Å; C52-Y54 PolarHBondContact O-N 3.48Å; Y54-I56 PolarHBondContact O-N 3.01Å; Y54-H57 PolarHBondContact O-N 3.14Å; Y54-F58 WeakPolarHBondContact O-CB 2.82Å; Y54-F58 PolarHBondContact O-N 2.92Å |
| 55 | N | 77.1 | Confident | 83.2 | Confident | 55 Ų | 55 | 98.8 Ų | 98.8 | 29% | 0.294 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.2 | -37.6 | 178.5 | -77.4 | -28.8 | 0 | 0 | 0 | 112.6 | I51 C52 F58 S59 | I51-N55 WeakPolarHBondContact O-CB 3.48Å; I51-N55 PolarHBondContact O-N 2.96Å; I51-N55 PolarHBondContact O-ND2 2.88Å; C52-N55 PolarHBondContact O-N 3.42Å; N55-F58 PolarHBondContact O-N 3.37Å; N55-S59 VanDerWaalsContact O-CB 3.26Å; N55-S59 WeakPolarHBondContact O-CB 3.5Å; N55-S59 PolarHBondContact O-N 3.4Å |
| 56 | I | 85.9 | Confident | 84.1 | Confident | 94 Ų | 94 | 96.6 Ų | 96.6 | 48% | 0.482 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.6 | -44.4 | 174.7 | -70 | 165.9 | 0 | 0 | 0 | 110.4 | C52 S53 Y54 S59 R60 | C52-I56 VanDerWaalsContact O-CG1 3.27Å; C52-I56 WeakPolarHBondContact O-CG1 3.42Å; C52-I56 PolarHBondContact O-N 3.23Å; S53-I56 PolarHBondContact O-N 3.46Å; Y54-I56 PolarHBondContact O-N 3.01Å; I56-S59 PolarHBondContact O-N 3.4Å; I56-R60 WeakPolarHBondContact O-CG 3.36Å; I56-R60 PolarHBondContact O-N 3Å; I56-R60 VanDerWaalsContact O-N 3.09Å |
| 57 | H | 87.7 | Confident | 85.2 | Confident | 114 Ų | 114 | 97.6 Ų | 97.6 | 53% | 0.528 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.6 | -44.9 | 178 | -169.8 | -97.6 | 0 | 0 | 0 | 111.5 | S53 Y54 R60 I61 | S53-H57 WeakPolarHBondContact O-CB 3.48Å; S53-H57 PolarHBondContact O-N 3.48Å; Y54-H57 PolarHBondContact O-N 3.14Å; H57-R60 PolarHBondContact O-N 3.03Å; H57-I61 VanDerWaalsContact CE1-CD1 3.41Å; H57-I61 WeakPolarHBondContact CE1-CD1 3.38Å; H57-I61 WeakPolarHBondContact ND1-CD1 3.33Å; H57-I61 WeakPolarHBondContact O-CG1 3.38Å; H57-I61 PolarHBondContact O-N 2.98Å; H57-I61 VanDerWaalsContact O-N 3.1Å |
| 58 | F | 85.5 | Confident | 86.2 | Confident | 114 Ų | 114 | 95.7 Ų | 95.7 | 50% | 0.5 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 176.2 | -175.5 | -100.5 | 0 | 0 | 0 | 112.1 | Y54 N55 R60 I61 F62 | Y54-F58 WeakPolarHBondContact O-CB 2.82Å; Y54-F58 PolarHBondContact O-N 2.92Å; N55-F58 PolarHBondContact O-N 3.37Å; F58-R60 VanDerWaalsContact C-N 3.33Å; F58-R60 PolarHBondContact O-N 2.89Å; F58-I61 PolarHBondContact O-N 2.91Å; F58-F62 WeakPolarHBondContact O-CB 3.38Å; F58-F62 PolarHBondContact O-N 2.86Å |
| 59 | S | 82.8 | Confident | 87.2 | Confident | 66 Ų | 66 | 96.9 Ų | 96.9 | 46% | 0.462 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60 | -40.1 | 177.3 | -178.9 | 0 | 0 | 0 | 0 | 112.5 | N55 I56 F62 T63 | N55-S59 VanDerWaalsContact O-CB 3.26Å; N55-S59 WeakPolarHBondContact O-CB 3.5Å; N55-S59 PolarHBondContact O-N 3.4Å; I56-S59 PolarHBondContact O-N 3.4Å; S59-F62 PolarHBondContact O-N 2.97Å; S59-T63 WeakPolarHBondContact O-CB 3.34Å; S59-T63 PolarHBondContact O-N 3.35Å; S59-T63 PolarHBondContact O-OG1 3.31Å |
| 60 | R | 87.1 | Confident | 88 | Confident | 170 Ų | 170 | 96.4 Ų | 96.4 | 64% | 0.642 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63.1 | -48.1 | 174.1 | -72.1 | 174.3 | 179.3 | 177.1 | 0.9 | 112 | I56 H57 F58 F62 T63 L64 | I56-R60 WeakPolarHBondContact O-CG 3.36Å; I56-R60 PolarHBondContact O-N 3Å; I56-R60 VanDerWaalsContact O-N 3.09Å; H57-R60 PolarHBondContact O-N 3.03Å; F58-R60 VanDerWaalsContact C-N 3.33Å; F58-R60 PolarHBondContact O-N 2.89Å; R60-F62 VanDerWaalsContact C-N 3.33Å; R60-F62 PolarHBondContact O-N 3.29Å; R60-T63 PolarHBondContact O-N 3.29Å; R60-L64 WeakPolarHBondContact O-CG 3.49Å; R60-L64 PolarHBondContact O-N 3.37Å |
| 61 | I | 90.7 | Very high | 88.6 | Confident | 72 Ų | 72 | 93.4 Ų | 93.4 | 37% | 0.369 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.3 | -45.2 | 177.2 | -68.3 | 169.3 | 0 | 0 | 0 | 110.6 | H57 F58 T63 L64 N65 | H57-I61 VanDerWaalsContact CE1-CD1 3.41Å; H57-I61 WeakPolarHBondContact CE1-CD1 3.38Å; H57-I61 WeakPolarHBondContact ND1-CD1 3.33Å; H57-I61 WeakPolarHBondContact O-CG1 3.38Å; H57-I61 PolarHBondContact O-N 2.98Å; H57-I61 VanDerWaalsContact O-N 3.1Å; F58-I61 PolarHBondContact O-N 2.91Å; I61-T63 PolarHBondContact O-N 2.88Å; I61-L64 PolarHBondContact O-N 3.03Å; I61-N65 WeakPolarHBondContact O-CB 3.35Å; I61-N65 PolarHBondContact O-N 2.96Å; I61-N65 PolarHBondContact O-ND2 3.38Å |
| 62 | F | 91.4 | Very high | 89.2 | Confident | 112 Ų | 112 | 95.1 Ų | 95.1 | 49% | 0.491 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.7 | -44.7 | 178.6 | -177.5 | -96.5 | 0 | 0 | 0 | 111.9 | F58 S59 R60 L64 N65 L66 | F58-F62 WeakPolarHBondContact O-CB 3.38Å; F58-F62 PolarHBondContact O-N 2.86Å; S59-F62 PolarHBondContact O-N 2.97Å; R60-F62 VanDerWaalsContact C-N 3.33Å; R60-F62 PolarHBondContact O-N 3.29Å; F62-L64 PolarHBondContact O-N 3.27Å; F62-N65 PolarHBondContact O-N 3.41Å; F62-L66 HydrophobicContact CE1-CD2 4.45Å; F62-L66 WeakPolarHBondContact O-CB 3.36Å; F62-L66 PolarHBondContact O-N 3.48Å |
| 63 | T | 88.5 | Confident | 90.1 | Very high | 80 Ų | 80 | 97.1 Ų | 97.1 | 49% | 0.491 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.6 | -40 | 178.6 | -55.5 | 0 | 0 | 0 | 0 | 111.8 | S59 R60 I61 L66 W67 | S59-T63 WeakPolarHBondContact O-CB 3.34Å; S59-T63 PolarHBondContact O-N 3.35Å; S59-T63 PolarHBondContact O-OG1 3.31Å; R60-T63 PolarHBondContact O-N 3.29Å; I61-T63 PolarHBondContact O-N 2.88Å; T63-L66 PolarHBondContact O-N 2.71Å; T63-W67 WeakPolarHBondContact O-CB 3.46Å; T63-W67 PolarHBondContact O-N 3.49Å |
| 64 | L | 94.6 | Very high | 90.6 | Very high | 106 Ų | 106 | 100.9 Ų | 100.9 | 56% | 0.555 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.7 | -46.4 | 174.8 | -73 | 168.7 | 0 | 0 | 0 | 111.7 | R60 I61 F62 L66 W67 I68 | R60-L64 WeakPolarHBondContact O-CG 3.49Å; R60-L64 PolarHBondContact O-N 3.37Å; I61-L64 PolarHBondContact O-N 3.03Å; F62-L64 PolarHBondContact O-N 3.27Å; L64-L66 VanDerWaalsContact C-N 3.35Å; L64-L66 PolarHBondContact O-N 3.03Å; L64-W67 WeakPolarHBondContact O-CB 3.18Å; L64-W67 PolarHBondContact O-N 3.32Å; L64-I68 WeakPolarHBondContact O-CG1 3.33Å; L64-I68 PolarHBondContact O-N 3.42Å |
| 65 | N | 90.4 | Very high | 91 | Very high | 95 Ų | 95 | 99.1 Ų | 99.1 | 51% | 0.508 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.1 | -41.4 | 177.5 | -74.3 | -25.8 | 0 | 0 | 0 | 112 | I61 F62 W67 I68 L69 | I61-N65 WeakPolarHBondContact O-CB 3.35Å; I61-N65 PolarHBondContact O-N 2.96Å; I61-N65 PolarHBondContact O-ND2 3.38Å; F62-N65 PolarHBondContact O-N 3.41Å; N65-W67 VanDerWaalsContact C-N 3.33Å; N65-I68 PolarHBondContact O-N 3.49Å; N65-L69 WeakPolarHBondContact O-CB 3.42Å; N65-L69 PolarHBondContact O-N 3.47Å |
| 66 | L | 91.7 | Very high | 91.9 | Very high | 87 Ų | 87 | 103 Ų | 103 | 46% | 0.455 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 175.5 | -174.4 | 64.2 | 0 | 0 | 0 | 111.3 | F62 T63 L64 L69 V70 | F62-L66 HydrophobicContact CE1-CD2 4.45Å; F62-L66 WeakPolarHBondContact O-CB 3.36Å; F62-L66 PolarHBondContact O-N 3.48Å; T63-L66 PolarHBondContact O-N 2.71Å; L64-L66 VanDerWaalsContact C-N 3.35Å; L64-L66 PolarHBondContact O-N 3.03Å; L66-L69 HydrophobicContact CD1-CD2 4.47Å; L66-L69 WeakPolarHBondContact O-CB 3.4Å; L66-L69 PolarHBondContact O-N 3.46Å; L66-V70 WeakPolarHBondContact O-CG2 3.01Å; L66-V70 PolarHBondContact O-N 3Å |
| 67 | W | 95.5 | Very high | 92.2 | Very high | 159 Ų | 159 | 102.9 Ų | 102.9 | 60% | 0.602 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.5 | -47 | 175.8 | -178.7 | 78.7 | 0 | 0 | 0 | 111.8 | T63 L64 N65 L69 V70 Q71 | T63-W67 WeakPolarHBondContact O-CB 3.46Å; T63-W67 PolarHBondContact O-N 3.49Å; L64-W67 WeakPolarHBondContact O-CB 3.18Å; L64-W67 PolarHBondContact O-N 3.32Å; N65-W67 VanDerWaalsContact C-N 3.33Å; W67-L69 VanDerWaalsContact C-N 3.32Å; W67-L69 PolarHBondContact O-N 2.89Å; W67-V70 PolarHBondContact O-N 3.23Å; W67-Q71 HydrophobicContact CD2-CG 4.32Å; W67-Q71 HydrophobicContact CZ2-CG 4.22Å; W67-Q71 WeakPolarHBondContact O-CG 3.34Å; W67-Q71 PolarHBondContact O-N 2.91Å |
| 68 | I | 97.6 | Very high | 92.4 | Very high | 81 Ų | 81 | 102 Ų | 102 | 42% | 0.415 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -57.7 | -46.5 | 175.1 | -67.5 | 163.5 | 0 | 0 | 0 | 110.5 | L64 N65 V70 Q71 L72 | L64-I68 WeakPolarHBondContact O-CG1 3.33Å; L64-I68 PolarHBondContact O-N 3.42Å; N65-I68 PolarHBondContact O-N 3.49Å; I68-V70 VanDerWaalsContact C-N 3.32Å; I68-V70 PolarHBondContact O-N 3.36Å; I68-Q71 PolarHBondContact O-N 3.2Å; I68-Q71 VanDerWaalsContact O-N 3.14Å; I68-L72 HydrophobicContact CG2-CD1 4.09Å; I68-L72 HydrophobicContact CG2-CG 4.37Å; I68-L72 WeakPolarHBondContact O-CG 3.44Å; I68-L72 PolarHBondContact O-N 2.99Å |
| 69 | L | 95.6 | Very high | 92.7 | Very high | 101 Ų | 101 | 99.8 Ų | 99.8 | 53% | 0.529 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.4 | -45.1 | 177.9 | -177.9 | 66.3 | 0 | 0 | 0 | 111.6 | N65 L66 W67 Q71 L72 V73 | N65-L69 WeakPolarHBondContact O-CB 3.42Å; N65-L69 PolarHBondContact O-N 3.47Å; L66-L69 HydrophobicContact CD1-CD2 4.47Å; L66-L69 WeakPolarHBondContact O-CB 3.4Å; L66-L69 PolarHBondContact O-N 3.46Å; W67-L69 VanDerWaalsContact C-N 3.32Å; W67-L69 PolarHBondContact O-N 2.89Å; L69-Q71 PolarHBondContact O-N 3.39Å; L69-L72 PolarHBondContact O-N 3.1Å; L69-V73 WeakPolarHBondContact O-CG2 3.42Å; L69-V73 PolarHBondContact O-N 2.91Å |
| 70 | V | 95.5 | Very high | 93 | Very high | 60 Ų | 60 | 101.5 Ų | 101.5 | 36% | 0.364 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 177.2 | 171.3 | 0 | 0 | 0 | 0 | 111.7 | L66 W67 I68 V73 R74 | L66-V70 WeakPolarHBondContact O-CG2 3.01Å; L66-V70 PolarHBondContact O-N 3Å; W67-V70 PolarHBondContact O-N 3.23Å; I68-V70 VanDerWaalsContact C-N 3.32Å; I68-V70 PolarHBondContact O-N 3.36Å; V70-V73 PolarHBondContact O-N 3.36Å; V70-R74 WeakPolarHBondContact O-CG 3.27Å; V70-R74 PolarHBondContact O-N 2.84Å |
| 71 | Q | 95 | Very high | 92.9 | Very high | 76 Ų | 76 | 100.5 Ų | 100.5 | 36% | 0.355 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.9 | -39.7 | 175.6 | -61.8 | -56.3 | -17.4 | 0 | 0 | 112.1 | W67 I68 L69 R74 L75 | W67-Q71 HydrophobicContact CD2-CG 4.32Å; W67-Q71 HydrophobicContact CZ2-CG 4.22Å; W67-Q71 WeakPolarHBondContact O-CG 3.34Å; W67-Q71 PolarHBondContact O-N 2.91Å; I68-Q71 PolarHBondContact O-N 3.2Å; I68-Q71 VanDerWaalsContact O-N 3.14Å; L69-Q71 PolarHBondContact O-N 3.39Å; Q71-R74 PolarHBondContact O-N 3.2Å; Q71-L75 WeakPolarHBondContact O-CB 3.33Å; Q71-L75 PolarHBondContact O-N 3.34Å |
| 72 | L | 95.2 | Very high | 92.5 | Very high | 101 Ų | 101 | 101.2 Ų | 101.2 | 53% | 0.529 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 174.9 | -70.9 | 174.5 | 0 | 0 | 0 | 111.6 | I68 L69 L75 F76 | I68-L72 HydrophobicContact CG2-CD1 4.09Å; I68-L72 HydrophobicContact CG2-CG 4.37Å; I68-L72 WeakPolarHBondContact O-CG 3.44Å; I68-L72 PolarHBondContact O-N 2.99Å; L69-L72 PolarHBondContact O-N 3.1Å; L72-L75 PolarHBondContact O-N 3.17Å; L72-F76 VanDerWaalsContact O-CB 3.27Å; L72-F76 WeakPolarHBondContact O-CB 3.42Å; L72-F76 PolarHBondContact O-N 3.09Å |
| 73 | V | 96.3 | Very high | 92.2 | Very high | 75 Ų | 75 | 98.8 Ų | 98.8 | 46% | 0.455 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 175.6 | 172.3 | 0 | 0 | 0 | 0 | 111 | L69 V70 F76 L77 | L69-V73 WeakPolarHBondContact O-CG2 3.42Å; L69-V73 PolarHBondContact O-N 2.91Å; V70-V73 PolarHBondContact O-N 3.36Å; V73-F76 PolarHBondContact O-N 3.3Å; V73-L77 HydrophobicContact CG1-CD1 4.11Å; V73-L77 HydrophobicContact CG1-CG 4.43Å; V73-L77 WeakPolarHBondContact O-CB 3.28Å; V73-L77 VanDerWaalsContact O-CG 3.28Å; V73-L77 WeakPolarHBondContact O-CG 3.48Å; V73-L77 PolarHBondContact O-N 3.28Å |
| 74 | R | 93 | Very high | 91.8 | Very high | 158 Ų | 158 | 99.3 Ų | 99.3 | 60% | 0.596 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.1 | -45 | 176.3 | -74.9 | 176.7 | 178.4 | -168.8 | -0.2 | 112.1 | V70 Q71 F76 L77 L78 | V70-R74 WeakPolarHBondContact O-CG 3.27Å; V70-R74 PolarHBondContact O-N 2.84Å; Q71-R74 PolarHBondContact O-N 3.2Å; R74-F76 VanDerWaalsContact C-N 3.34Å; R74-L77 PolarHBondContact O-N 2.87Å; R74-L78 WeakPolarHBondContact O-CB 3.47Å; R74-L78 PolarHBondContact O-N 3.31Å |
| 75 | L | 94.7 | Very high | 90.8 | Very high | 105 Ų | 105 | 104.5 Ų | 104.5 | 55% | 0.55 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62 | -44 | 176.3 | -177.2 | 66.2 | 0 | 0 | 0 | 111 | Q71 L72 L77 L78 S79 | Q71-L75 WeakPolarHBondContact O-CB 3.33Å; Q71-L75 PolarHBondContact O-N 3.34Å; L72-L75 PolarHBondContact O-N 3.17Å; L75-L77 PolarHBondContact O-N 3.26Å; L75-L78 PolarHBondContact O-N 3.27Å; L75-S79 PolarHBondContact O-N 3.46Å; L75-S79 PolarHBondContact O-OG 3.48Å |
| 76 | F | 95.1 | Very high | 90 | Very high | 138 Ų | 138 | 104.3 Ų | 104.3 | 61% | 0.605 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.2 | -47.8 | 176.1 | 178.7 | -98.3 | 0 | 0 | 0 | 111.7 | L72 V73 R74 L78 S79 F80 | L72-F76 VanDerWaalsContact O-CB 3.27Å; L72-F76 WeakPolarHBondContact O-CB 3.42Å; L72-F76 PolarHBondContact O-N 3.09Å; V73-F76 PolarHBondContact O-N 3.3Å; R74-F76 VanDerWaalsContact C-N 3.34Å; F76-L78 VanDerWaalsContact C-N 3.31Å; F76-L78 PolarHBondContact O-N 2.87Å; F76-S79 PolarHBondContact O-N 3.49Å; F76-F80 WeakPolarHBondContact O-CB 3.41Å; F76-F80 PolarHBondContact O-N 2.86Å |
| 77 | L | 92.3 | Very high | 88.7 | Confident | 91 Ų | 91 | 108.1 Ų | 108.1 | 48% | 0.476 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.8 | -35.1 | 176.7 | -70.1 | 175.1 | 0 | 0 | 0 | 112.5 | V73 R74 L75 F80 K81 | V73-L77 HydrophobicContact CG1-CD1 4.11Å; V73-L77 HydrophobicContact CG1-CG 4.43Å; V73-L77 WeakPolarHBondContact O-CB 3.28Å; V73-L77 VanDerWaalsContact O-CG 3.28Å; V73-L77 WeakPolarHBondContact O-CG 3.48Å; V73-L77 PolarHBondContact O-N 3.28Å; R74-L77 PolarHBondContact O-N 2.87Å; L75-L77 PolarHBondContact O-N 3.26Å; L77-F80 PolarHBondContact O-N 2.83Å; L77-K81 WeakPolarHBondContact O-CB 3.31Å; L77-K81 WeakPolarHBondContact O-CG 3.47Å; L77-K81 PolarHBondContact O-N 3.49Å |
| 78 | L | 92.3 | Very high | 86.9 | Confident | 96 Ų | 96 | 106 Ų | 106 | 50% | 0.503 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.3 | -45.9 | 175.7 | -172.5 | 69 | 0 | 0 | 0 | 111.1 | R74 L75 F76 F80 K81 N82 | R74-L78 WeakPolarHBondContact O-CB 3.47Å; R74-L78 PolarHBondContact O-N 3.31Å; L75-L78 PolarHBondContact O-N 3.27Å; F76-L78 VanDerWaalsContact C-N 3.31Å; F76-L78 PolarHBondContact O-N 2.87Å; L78-F80 VanDerWaalsContact C-N 3.31Å; L78-F80 PolarHBondContact O-N 3.06Å; L78-K81 PolarHBondContact O-N 2.94Å; L78-N82 WeakPolarHBondContact O-CB 3.34Å; L78-N82 VanDerWaalsContact O-CG 3.29Å; L78-N82 PolarHBondContact O-N 2.85Å; L78-N82 PolarHBondContact O-ND2 3.07Å |
| 79 | S | 91 | Very high | 85 | Confident | 66 Ų | 66 | 109 Ų | 109 | 46% | 0.462 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.4 | -40.4 | 174.4 | -66 | 0 | 0 | 0 | 0 | 111.8 | L75 F76 N82 C83 | L75-S79 PolarHBondContact O-N 3.46Å; L75-S79 PolarHBondContact O-OG 3.48Å; F76-S79 PolarHBondContact O-N 3.49Å; S79-N82 PolarHBondContact O-N 2.91Å; S79-C83 VanDerWaalsContact O-CB 3.31Å; S79-C83 WeakPolarHBondContact O-CB 3.47Å; S79-C83 PolarHBondContact O-N 3.22Å |
| 80 | F | 89.9 | Confident | 82.9 | Confident | 102 Ų | 102 | 110.1 Ų | 110.1 | 45% | 0.447 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.4 | -49.8 | 173.8 | -167.7 | -90.5 | 0 | 0 | 0 | 110.8 | F76 L77 L78 N82 C83 F84 | F76-F80 WeakPolarHBondContact O-CB 3.41Å; F76-F80 PolarHBondContact O-N 2.86Å; L77-F80 PolarHBondContact O-N 2.83Å; L78-F80 VanDerWaalsContact C-N 3.31Å; L78-F80 PolarHBondContact O-N 3.06Å; F80-N82 PolarHBondContact O-N 3.15Å; F80-C83 PolarHBondContact O-N 2.71Å; F80-C83 VanDerWaalsContact O-N 3.15Å; F80-F84 AromaticContact CD1-CD2 3.62Å; F80-F84 HydrophobicContact CD1-CD2 3.62Å; F80-F84 AromaticContact CD1-CE2 3.96Å; F80-F84 HydrophobicContact CD1-CE2 3.96Å; F80-F84 HydrophobicContact CD1-CG 4.5Å; F80-F84 HydrophobicContact CD2-CD2 4Å; F80-F84 AromaticContact CD2-CE2 3.63Å; F80-F84 HydrophobicContact CD2-CE2 3.63Å; F80-F84 AromaticContact CE1-CD2 3.43Å; F80-F84 HydrophobicContact CE1-CD2 3.43Å; F80-F84 VanDerWaalsContact CE1-CD2 3.43Å; F80-F84 AromaticContact CE1-CE2 3.48Å; F80-F84 HydrophobicContact CE1-CE2 3.48Å; F80-F84 VanDerWaalsContact CE1-CE2 3.48Å; F80-F84 HydrophobicContact CE1-CG 4.15Å; F80-F84 HydrophobicContact CE1-CZ 4.17Å; F80-F84 AromaticContact CE2-CD2 3.85Å; F80-F84 HydrophobicContact CE2-CD2 3.85Å; F80-F84 AromaticContact CE2-CE2 3.13Å; F80-F84 HydrophobicContact CE2-CE2 3.13Å; F80-F84 AromaticContact CE2-CZ 3.86Å; F80-F84 HydrophobicContact CE2-CZ 3.86Å; F80-F84 AromaticContact CG-CD2 3.91Å; F80-F84 HydrophobicContact CG-CD2 3.91Å; F80-F84 HydrophobicContact CG-CE2 4.03Å; F80-F84 AromaticContact CZ-CD2 3.56Å; F80-F84 HydrophobicContact CZ-CD2 3.56Å; F80-F84 HydrophobicContact CZ-CE1 4.43Å; F80-F84 AromaticContact CZ-CE2 3.04Å; F80-F84 HydrophobicContact CZ-CE2 3.04Å; F80-F84 HydrophobicContact CZ-CG 4.46Å; F80-F84 AromaticContact CZ-CZ 3.53Å; F80-F84 HydrophobicContact CZ-CZ 3.53Å; F80-F84 VanDerWaalsContact O-CD2 3.31Å; F80-F84 WeakPolarHBondContact O-CD2 3.08Å; F80-F84 PolarHBondContact O-N 3.36Å |
| 81 | K | 85.1 | Confident | 81 | Confident | 150 Ų | 150 | 118.2 Ų | 118.2 | 65% | 0.652 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -56.1 | -40.2 | 174.9 | -78 | -179.3 | 179.5 | -177 | 0 | 111.8 | L77 L78 R85 | L77-K81 WeakPolarHBondContact O-CB 3.31Å; L77-K81 WeakPolarHBondContact O-CG 3.47Å; L77-K81 PolarHBondContact O-N 3.49Å; L78-K81 PolarHBondContact O-N 2.94Å; K81-R85 WeakPolarHBondContact O-CB 3.31Å; K81-R85 PolarHBondContact O-N 3.12Å |
| 82 | N | 82.4 | Confident | 79.3 | Confident | 87 Ų | 87 | 121 Ų | 121 | 47% | 0.465 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -70 | -40.7 | 177.4 | -71.1 | -17.7 | 0 | 0 | 0 | 112.7 | L78 S79 F80 R85 S86 | L78-N82 WeakPolarHBondContact O-CB 3.34Å; L78-N82 VanDerWaalsContact O-CG 3.29Å; L78-N82 PolarHBondContact O-N 2.85Å; L78-N82 PolarHBondContact O-ND2 3.07Å; S79-N82 PolarHBondContact O-N 2.91Å; F80-N82 PolarHBondContact O-N 3.15Å; N82-R85 PolarHBondContact O-N 2.93Å; N82-S86 PolarHBondContact O-N 3.23Å; N82-S86 VanDerWaalsContact O-N 3.09Å; N82-S86 PolarHBondContact O-OG 3.34Å |
| 83 | C | 84.4 | Confident | 77.6 | Confident | 61 Ų | 61 | 126.5 Ų | 126.5 | 41% | 0.412 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -63.8 | -40.8 | 176.8 | -174.2 | 0 | 0 | 0 | 0 | 112.1 | S79 F80 S86 R87 | S79-C83 VanDerWaalsContact O-CB 3.31Å; S79-C83 WeakPolarHBondContact O-CB 3.47Å; S79-C83 PolarHBondContact O-N 3.22Å; F80-C83 PolarHBondContact O-N 2.71Å; F80-C83 VanDerWaalsContact O-N 3.15Å; C83-S86 PolarHBondContact O-OG 2.78Å; C83-S86 VanDerWaalsContact O-OG 3.12Å; C83-R87 PolarHBondContact O-N 3.17Å |
| 84 | F | 81.3 | Confident | 75.1 | Confident | 91 Ų | 91 | 137 Ų | 137 | 40% | 0.399 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -82.7 | -18 | 176.2 | -76.7 | -91.3 | 0 | 0 | 0 | 113.4 | F80 F89 | F80-F84 AromaticContact CD1-CD2 3.62Å; F80-F84 HydrophobicContact CD1-CD2 3.62Å; F80-F84 AromaticContact CD1-CE2 3.96Å; F80-F84 HydrophobicContact CD1-CE2 3.96Å; F80-F84 HydrophobicContact CD1-CG 4.5Å; F80-F84 HydrophobicContact CD2-CD2 4Å; F80-F84 AromaticContact CD2-CE2 3.63Å; F80-F84 HydrophobicContact CD2-CE2 3.63Å; F80-F84 AromaticContact CE1-CD2 3.43Å; F80-F84 HydrophobicContact CE1-CD2 3.43Å; F80-F84 VanDerWaalsContact CE1-CD2 3.43Å; F80-F84 AromaticContact CE1-CE2 3.48Å; F80-F84 HydrophobicContact CE1-CE2 3.48Å; F80-F84 VanDerWaalsContact CE1-CE2 3.48Å; F80-F84 HydrophobicContact CE1-CG 4.15Å; F80-F84 HydrophobicContact CE1-CZ 4.17Å; F80-F84 AromaticContact CE2-CD2 3.85Å; F80-F84 HydrophobicContact CE2-CD2 3.85Å; F80-F84 AromaticContact CE2-CE2 3.13Å; F80-F84 HydrophobicContact CE2-CE2 3.13Å; F80-F84 AromaticContact CE2-CZ 3.86Å; F80-F84 HydrophobicContact CE2-CZ 3.86Å; F80-F84 AromaticContact CG-CD2 3.91Å; F80-F84 HydrophobicContact CG-CD2 3.91Å; F80-F84 HydrophobicContact CG-CE2 4.03Å; F80-F84 AromaticContact CZ-CD2 3.56Å; F80-F84 HydrophobicContact CZ-CD2 3.56Å; F80-F84 HydrophobicContact CZ-CE1 4.43Å; F80-F84 AromaticContact CZ-CE2 3.04Å; F80-F84 HydrophobicContact CZ-CE2 3.04Å; F80-F84 HydrophobicContact CZ-CG 4.46Å; F80-F84 AromaticContact CZ-CZ 3.53Å; F80-F84 HydrophobicContact CZ-CZ 3.53Å; F80-F84 VanDerWaalsContact O-CD2 3.31Å; F80-F84 WeakPolarHBondContact O-CD2 3.08Å; F80-F84 PolarHBondContact O-N 3.36Å; F84-F89 HydrophobicContact CD1-CD2 4.32Å; F84-F89 HydrophobicContact CE1-CD2 4.4Å; F84-F89 HydrophobicContact CE1-CE2 4.26Å |
| 85 | R | 73.6 | Confident | 74.2 | Confident | 214 Ų | 214 | 136 Ų | 136 | 81% | 0.808 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -73.6 | -34.7 | 170.7 | -176.7 | 175.8 | -177.5 | 174.9 | 1.6 | 111.8 | K81 N82 | K81-R85 WeakPolarHBondContact O-CB 3.31Å; K81-R85 PolarHBondContact O-N 3.12Å; N82-R85 PolarHBondContact O-N 2.93Å |
| 86 | S | 71.8 | Confident | 73.1 | Confident | 91 Ų | 91 | 137.6 Ų | 137.6 | 64% | 0.636 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -82.9 | -16.4 | 177.6 | 60.7 | 0 | 0 | 0 | 0 | 113.9 | N82 C83 P88 | N82-S86 PolarHBondContact O-N 3.23Å; N82-S86 VanDerWaalsContact O-N 3.09Å; N82-S86 PolarHBondContact O-OG 3.34Å; C83-S86 PolarHBondContact O-OG 2.78Å; C83-S86 VanDerWaalsContact O-OG 3.12Å; S86-P88 VanDerWaalsContact O-CD 3.27Å; S86-P88 WeakPolarHBondContact O-CD 3.27Å |
| 87 | R | 65.2 | Low | 71.9 | Confident | 167 Ų | 167 | 137.6 Ų | 137.6 | 63% | 0.63 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -96.3 | 99.6 | 167.9 | -66 | -172.1 | -177.9 | -148.8 | 0.5 | 108.6 | C83 F89 | C83-R87 PolarHBondContact O-N 3.17Å; R87-F89 VanDerWaalsContact C-N 3.33Å; R87-F89 PolarHBondContact O-N 2.88Å |
| 88 | P | 57.4 | Low | 70.7 | Confident | 115 Ų | 115 | 140.4 Ų | 140.4 | 75% | 0.747 | 66% | 0.662 | S | S | * | * | trans | -60.2 | 101.3 | 171.5 | 26.1 | -32.2 | 0 | 0 | 0 | 107.8 | S86 V90 | S86-P88 VanDerWaalsContact O-CD 3.27Å; S86-P88 WeakPolarHBondContact O-CD 3.27Å; P88-V90 PolarHBondContact O-N 3.37Å | ||
| 89 | F | 57.5 | Low | 69.4 | Low | 144 Ų | 144 | 143.1 Ų | 143.1 | 63% | 0.632 | 67% | 0.672 | S | S | * | * | trans | -78.2 | 43.6 | 178.7 | -141.9 | -87.6 | 0 | 0 | 0 | 110.5 | F84 R87 Y93 | F84-F89 HydrophobicContact CD1-CD2 4.32Å; F84-F89 HydrophobicContact CE1-CD2 4.4Å; F84-F89 HydrophobicContact CE1-CE2 4.26Å; R87-F89 VanDerWaalsContact C-N 3.33Å; R87-F89 PolarHBondContact O-N 2.88Å; F89-Y93 HydrophobicContact CE1-CD2 4.28Å; F89-Y93 AromaticContact CE1-CE2 3.98Å; F89-Y93 HydrophobicContact CE1-CE2 3.98Å; F89-Y93 HydrophobicContact CZ-CE2 4.47Å | ||
| 90 | V | 52.4 | Low | 67.9 | Low | 124 Ų | 124 | 148.3 Ų | 148.3 | 75% | 0.752 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -139.5 | 77.1 | 175.4 | -171 | 0 | 0 | 0 | 0 | 108.3 | P88 | P88-V90 PolarHBondContact O-N 3.37Š|
| 91 | R | 55.2 | Low | 66.4 | Low | 231 Ų | 231 | 151.6 Ų | 151.6 | 87% | 0.872 | 70% | 0.703 | S | S | * | * | S | Bend | trans | 164.2 | 54.6 | 144.6 | -92.4 | -177.2 | -175.6 | -176.6 | 2.8 | 112 | ||
| 92 | T | 58.6 | Low | 64.9 | Low | 135 Ų | 135 | 151.7 Ų | 151.7 | 83% | 0.828 | 71% | 0.707 | S | S | * | * | trans | -158.6 | 35.9 | 161.2 | 25.9 | 0 | 0 | 0 | 0 | 112.7 | Y94 | T92-Y94 VanDerWaalsContact C-N 3.31Š| ||
| 93 | Y | 60.5 | Low | 63.5 | Low | 216 Ų | 216 | 157.1 Ų | 157.1 | 85% | 0.847 | 73% | 0.727 | S | S | * | * | trans | -103.6 | 61.3 | 146.8 | -90.7 | -79.5 | 0 | 0 | 0 | 107.7 | F89 | F89-Y93 HydrophobicContact CE1-CD2 4.28Å; F89-Y93 AromaticContact CE1-CE2 3.98Å; F89-Y93 HydrophobicContact CE1-CE2 3.98Å; F89-Y93 HydrophobicContact CZ-CE2 4.47Å | ||
| 94 | Y | 44 | Very low | 61.6 | Low | 296 Ų | 296 | 165.8 Ų | 165.8 | 100% | 1.161 | 76% | 0.756 | S | S | * | * | trans | -79.1 | 0 | 142.5 | -104.9 | -80.1 | 0 | 0 | 0 | 106.5 | T92 | T92-Y94 VanDerWaalsContact C-N 3.31Š|
Retrieved 94 of 94 residues in 180.9 ms
(Link to these results)