| 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 | 36.7 | Very low | 46.1 | Very low | 245 Ų | 245 | 156.8 Ų | 156.8 | 100% | 1.207 | 82% | 0.818 | S | S | * | * | 0 | 105.9 | 0 | -69.8 | 158.7 | 96.2 | 0 | 0 | 106.2 | |||||
| 2 | S | 40.3 | Very low | 46.5 | Very low | 121 Ų | 121 | 153.8 Ų | 153.8 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | -89.6 | 105.7 | -176.5 | -53.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 3 | E | 36.7 | Very low | 47.2 | Very low | 177 Ų | 177 | 145.7 Ų | 145.7 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | trans | -122.1 | 74.8 | 157.4 | -71.3 | -151.7 | 149.1 | 0 | 0 | 108.8 | R5 | E3-R5 PolarHBondContact O-N 3.48Š| ||
| 4 | S | 43.7 | Very low | 48 | Very low | 124 Ų | 124 | 139.4 Ų | 139.4 | 87% | 0.867 | 73% | 0.732 | S | S | * | * | trans | -79.3 | 79.2 | 158.3 | -59.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 5 | R | 44.4 | Very low | 49.2 | Very low | 224 Ų | 224 | 136.3 Ų | 136.3 | 85% | 0.845 | 73% | 0.725 | S | S | * | * | trans | -146.7 | 120.4 | 165.8 | -60.6 | 176.9 | 92.5 | 178 | 3.6 | 105 | E3 | E3-R5 PolarHBondContact O-N 3.48Š| ||
| 6 | S | 50 | Low | 51.4 | Low | 112 Ų | 112 | 134.3 Ų | 134.3 | 78% | 0.783 | 71% | 0.714 | S | S | * | * | cis | -153 | 139.4 | 47.6 | 46.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 7 | S | 48.7 | Very low | 53.8 | Low | 103 Ų | 103 | 128.3 Ų | 128.3 | 72% | 0.72 | 68% | 0.68 | S | S | * | * | trans | 16.7 | 121.4 | 149.2 | -57.8 | 0 | 0 | 0 | 0 | 116.7 | R9 | S7-R9 VanDerWaalsContact C-N 3.32Å; S7-R9 PolarHBondContact O-N 2.81Å | ||
| 8 | F | 49.9 | Very low | 55.9 | Low | 209 Ų | 209 | 124.2 Ų | 124.2 | 92% | 0.917 | 66% | 0.663 | S | S | * | * | trans | -26.5 | 102.8 | 142.6 | -56.5 | -88.2 | 0 | 0 | 0 | 108.1 | N10 | F8-N10 PolarHBondContact O-N 2.68Š| ||
| 9 | R | 52.9 | Low | 57.8 | Low | 187 Ų | 187 | 128 Ų | 128 | 71% | 0.706 | 67% | 0.673 | S | S | * | * | trans | -46 | 136.9 | 168.4 | -87.3 | -173.3 | -100.3 | 161.6 | -7.9 | 105.3 | S7 V11 | S7-R9 VanDerWaalsContact C-N 3.32Å; S7-R9 PolarHBondContact O-N 2.81Å; R9-V11 WeakPolarHBondContact O-CG2 3.43Å; R9-V11 PolarHBondContact O-N 3.49Å | ||
| 10 | N | 51.2 | Low | 59.7 | Low | 103 Ų | 103 | 129.8 Ų | 129.8 | 55% | 0.551 | 68% | 0.675 | S | S | * | * | trans | -61.5 | 68.4 | -166.3 | -165.4 | -10.4 | 0 | 0 | 0 | 112.4 | F8 N12 T13 | F8-N10 PolarHBondContact O-N 2.68Å; N10-N12 PolarHBondContact O-N 3.18Å; N10-T13 WeakPolarHBondContact ND2-CG2 3.32Å; N10-T13 PolarHBondContact O-N 2.97Å; N10-T13 PolarHBondContact O-OG1 3.27Å; N10-T13 WeakPolarHBondContact OD1-CG2 3.26Å; N10-T13 PolarHBondContact OD1-N 3.17Å; N10-T13 PolarHBondContact OD1-OG1 3.33Å | ||
| 11 | V | 52.7 | Low | 61.3 | Low | 120 Ų | 120 | 125.4 Ų | 125.4 | 73% | 0.727 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -64.9 | -13.6 | 179.6 | -169.1 | 0 | 0 | 0 | 0 | 110 | R9 | R9-V11 WeakPolarHBondContact O-CG2 3.43Å; R9-V11 PolarHBondContact O-N 3.49Å |
| 12 | N | 51.2 | Low | 64.1 | Low | 120 Ų | 120 | 115.8 Ų | 115.8 | 64% | 0.642 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -86.3 | -15.2 | -174.9 | -150.5 | 35.8 | 0 | 0 | 0 | 113.8 | N10 C15 | N10-N12 PolarHBondContact O-N 3.18Å; N12-C15 WeakPolarHBondContact O-CB 3.38Å |
| 13 | T | 54.8 | Low | 66.7 | Low | 49 Ų | 49 | 116 Ų | 116 | 30% | 0.301 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -77.9 | -36 | 178.2 | 38.2 | 0 | 0 | 0 | 0 | 112.9 | N10 C15 N16 I62 | N10-T13 WeakPolarHBondContact ND2-CG2 3.32Å; N10-T13 PolarHBondContact O-N 2.97Å; N10-T13 PolarHBondContact O-OG1 3.27Å; N10-T13 WeakPolarHBondContact OD1-CG2 3.26Å; N10-T13 PolarHBondContact OD1-N 3.17Å; N10-T13 PolarHBondContact OD1-OG1 3.33Å; T13-C15 VanDerWaalsContact C-N 3.28Å; T13-C15 PolarHBondContact O-N 3.42Å; T13-N16 PolarHBondContact O-N 3.49Å; T13-I62 VanDerWaalsContact OG1-CD1 3.24Å; T13-I62 WeakPolarHBondContact OG1-CD1 3.37Å |
| 14 | D | 59.6 | Low | 69.5 | Low | 58 Ų | 58 | 110.4 Ų | 110.4 | 31% | 0.31 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -72.1 | -24.1 | 178.4 | -58.6 | -43 | 0 | 0 | 0 | 112.8 | N16 W17 H59 I62 | D14-N16 PolarHBondContact O-N 3.44Å; D14-W17 PolarHBondContact O-N 3.09Å; D14-W17 VanDerWaalsContact O-N 3.07Å; D14-H59 IonicContact OD1-ND1 3.95Å; D14-I62 WeakPolarHBondContact OD1-CG2 3.15Å |
| 15 | C | 65.1 | Low | 72 | Confident | 92 Ų | 92 | 104.5 Ų | 104.5 | 62% | 0.622 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | -28.1 | 173.3 | 174 | 0 | 0 | 0 | 0 | 112.8 | N12 T13 W17 | N12-C15 WeakPolarHBondContact O-CB 3.38Å; T13-C15 VanDerWaalsContact C-N 3.28Å; T13-C15 PolarHBondContact O-N 3.42Å; C15-W17 VanDerWaalsContact C-N 3.27Å; C15-W17 PolarHBondContact O-N 3.28Å |
| 16 | N | 84.9 | Confident | 74.4 | Confident | 104 Ų | 104 | 98.4 Ų | 98.4 | 56% | 0.556 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | 3.4 | -177.1 | -65 | -38.3 | 0 | 0 | 0 | 114.7 | T13 D14 K51 | T13-N16 PolarHBondContact O-N 3.49Å; D14-N16 PolarHBondContact O-N 3.44Å; N16-K51 PolarHBondContact O-NZ 2.81Å |
| 17 | W | 91.4 | Very high | 76.6 | Confident | 33 Ų | 33 | 98.2 Ų | 98.2 | 13% | 0.125 | 49% | 0.492 | C | S | . | . | trans | -115.8 | 111.8 | -179.9 | -74 | 85.6 | 0 | 0 | 0 | 111.5 | D14 C15 E21 F25 M47 K51 V56 H59 | D14-W17 PolarHBondContact O-N 3.09Å; D14-W17 VanDerWaalsContact O-N 3.07Å; C15-W17 VanDerWaalsContact C-N 3.27Å; C15-W17 PolarHBondContact O-N 3.28Å; W17-E21 HydrophobicContact CE3-CB 3.72Å; W17-E21 HydrophobicContact CZ3-CB 4.15Å; W17-F25 HydrophobicContact CH2-CB 4.13Å; W17-F25 HydrophobicContact CH2-CD2 4.08Å; W17-F25 HydrophobicContact CH2-CG 4.27Å; W17-F25 HydrophobicContact CZ3-CB 3.64Å; W17-F25 HydrophobicContact CZ3-CD2 4.43Å; W17-F25 HydrophobicContact CZ3-CG 4.16Å; W17-M47 HydrophobicContact CE3-CE 4.46Å; W17-M47 HydrophobicContact CH2-CE 3.54Å; W17-M47 HydrophobicContact CH2-SD 4.17Å; W17-M47 HydrophobicContact CZ3-CE 3.3Å; W17-M47 HydrophobicContact CZ3-SD 4.29Å; W17-K51 HydrophobicContact CH2-CB 4.19Å; W17-K51 HydrophobicContact CH2-CD 4.45Å; W17-K51 HydrophobicContact CH2-CG 3.72Å; W17-K51 HydrophobicContact CZ2-CB 4.41Å; W17-K51 HydrophobicContact CZ2-CD 4.21Å; W17-K51 HydrophobicContact CZ2-CG 3.93Å; W17-K51 HydrophobicContact CZ3-CG 4.14Å; W17-V56 HydrophobicContact CH2-CG2 4.33Å; W17-H59 AromaticContact CD1-CE1 3.7Å; W17-H59 AromaticContact CD1-CG 3.96Å; W17-H59 AromaticContact CD1-ND1 3.34Å; W17-H59 VanDerWaalsContact CD1-ND1 3.34Å; W17-H59 AromaticContact CD2-CD2 3.96Å; W17-H59 AromaticContact CD2-CE1 4Å; W17-H59 AromaticContact CD2-CG 3.95Å; W17-H59 AromaticContact CD2-ND1 3.96Å; W17-H59 AromaticContact CD2-NE2 3.98Å; W17-H59 AromaticContact CE2-CD2 3.83Å; W17-H59 AromaticContact CE2-CG 3.45Å; W17-H59 VanDerWaalsContact CE2-CG 3.45Å; W17-H59 AromaticContact CE2-ND1 3.7Å; W17-H59 AromaticContact CG-CE1 3.7Å; W17-H59 AromaticContact CG-ND1 3.77Å; W17-H59 HydrophobicContact CH2-CB 4.43Å; W17-H59 HydrophobicContact CZ2-CB 3.6Å; W17-H59 AromaticContact CZ2-CD2 3.98Å; W17-H59 AromaticContact CZ2-CG 3.72Å; W17-H59 AromaticContact NE1-CG 3.47Å; W17-H59 AromaticContact NE1-ND1 3.29Å; W17-H59 PolarHBondContact NE1-ND1 2.92Å | ||
| 18 | S | 92.3 | Very high | 78.9 | Confident | 55 Ų | 55 | 93.6 Ų | 93.6 | 39% | 0.385 | 46% | 0.461 | S | S | . | . | trans | -66.8 | 155.4 | 169.9 | 69.4 | 0 | 0 | 0 | 0 | 110.9 | K20 E21 N22 | S18-K20 PolarHBondContact O-N 3.49Å; S18-K20 VanDerWaalsContact O-N 3.11Å; S18-E21 VanDerWaalsContact CB-OE2 3.24Å; S18-E21 WeakPolarHBondContact CB-OE2 3.3Å; S18-E21 PolarHBondContact N-OE2 3.47Å; S18-E21 PolarHBondContact O-N 3.21Å; S18-E21 VanDerWaalsContact OG-CD 3.32Å; S18-E21 VanDerWaalsContact OG-CG 3.26Å; S18-E21 WeakPolarHBondContact OG-CG 3.35Å; S18-E21 PolarHBondContact OG-N 2.77Å; S18-E21 PolarHBondContact OG-OE2 3.22Å; S18-N22 PolarHBondContact O-N 2.96Å | ||
| 19 | K | 92.7 | Very high | 81.1 | Confident | 196 Ų | 196 | 85.1 Ų | 85.1 | 85% | 0.852 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -52.9 | -35.3 | 174.4 | -67.3 | -179.6 | 179.5 | 178.9 | 0 | 112.7 | K23 | K19-K23 WeakPolarHBondContact O-CB 3.4Å; K19-K23 PolarHBondContact O-N 3.17Å |
| 20 | K | 94.2 | Very high | 83 | Confident | 164 Ų | 164 | 80 Ų | 80 | 71% | 0.713 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -70.4 | -44.7 | 178.4 | -175.3 | 179.9 | 177.1 | -176.6 | 0 | 111.6 | S18 K23 L24 | S18-K20 PolarHBondContact O-N 3.49Å; S18-K20 VanDerWaalsContact O-N 3.11Å; K20-K23 PolarHBondContact O-N 3.19Å; K20-L24 WeakPolarHBondContact O-CG 3.47Å; K20-L24 PolarHBondContact O-N 3.21Å; K20-L24 VanDerWaalsContact O-N 3.08Å |
| 21 | E | 94.8 | Very high | 85.1 | Confident | 38 Ų | 38 | 84.4 Ų | 84.4 | 18% | 0.178 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 176.3 | -70.1 | 162.6 | 127.2 | 0 | 0 | 111.3 | W17 S18 K23 L24 F25 K51 | W17-E21 HydrophobicContact CE3-CB 3.72Å; W17-E21 HydrophobicContact CZ3-CB 4.15Å; S18-E21 VanDerWaalsContact CB-OE2 3.24Å; S18-E21 WeakPolarHBondContact CB-OE2 3.3Å; S18-E21 PolarHBondContact N-OE2 3.47Å; S18-E21 PolarHBondContact O-N 3.21Å; S18-E21 VanDerWaalsContact OG-CD 3.32Å; S18-E21 VanDerWaalsContact OG-CG 3.26Å; S18-E21 WeakPolarHBondContact OG-CG 3.35Å; S18-E21 PolarHBondContact OG-N 2.77Å; S18-E21 PolarHBondContact OG-OE2 3.22Å; E21-K23 VanDerWaalsContact C-N 3.32Å; E21-K23 PolarHBondContact O-N 3.3Å; E21-L24 PolarHBondContact O-N 3.08Å; E21-F25 WeakPolarHBondContact O-CB 3.2Å; E21-F25 PolarHBondContact O-N 3.37Å; E21-K51 WeakPolarHBondContact OE1-CE 3.4Å; E21-K51 IonicContact OE1-NZ 3.94Å |
| 22 | N | 94.8 | Very high | 87.2 | Confident | 43 Ų | 43 | 81.3 Ų | 81.3 | 23% | 0.23 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61.1 | -42.9 | 177 | -171.7 | 70.2 | 0 | 0 | 0 | 111.3 | S18 L24 F25 E26 H59 | S18-N22 PolarHBondContact O-N 2.96Å; N22-L24 PolarHBondContact O-N 3.46Å; N22-F25 WeakPolarHBondContact O-CB 3.43Å; N22-F25 PolarHBondContact O-N 2.96Å; N22-E26 PolarHBondContact ND2-OE1 3.42Å; N22-E26 WeakPolarHBondContact O-CG 3.41Å; N22-E26 PolarHBondContact O-N 3.31Å; N22-H59 PolarHBondContact OD1-NE2 3.07Å |
| 23 | K | 94.9 | Very high | 89.1 | Confident | 125 Ų | 125 | 84.9 Ų | 84.9 | 54% | 0.543 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.5 | -45.8 | 174.1 | -175 | 178 | 179 | -177.4 | 0 | 112.3 | K19 K20 E21 F25 E26 E27 | K19-K23 WeakPolarHBondContact O-CB 3.4Å; K19-K23 PolarHBondContact O-N 3.17Å; K20-K23 PolarHBondContact O-N 3.19Å; E21-K23 VanDerWaalsContact C-N 3.32Å; E21-K23 PolarHBondContact O-N 3.3Å; K23-F25 VanDerWaalsContact C-N 3.31Å; K23-F25 PolarHBondContact O-N 2.98Å; K23-E26 PolarHBondContact O-N 3.34Å; K23-E27 WeakPolarHBondContact CE-OE1 3.26Å; K23-E27 WeakPolarHBondContact O-CG 3.24Å; K23-E27 PolarHBondContact O-N 3.46Å |
| 24 | L | 96 | Very high | 90.8 | Very high | 60 Ų | 60 | 90.3 Ų | 90.3 | 31% | 0.314 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.6 | -37.8 | 176.8 | -73.3 | 171.8 | 0 | 0 | 0 | 112.1 | K20 E21 N22 A28 M47 | K20-L24 WeakPolarHBondContact O-CG 3.47Å; K20-L24 PolarHBondContact O-N 3.21Å; K20-L24 VanDerWaalsContact O-N 3.08Å; E21-L24 PolarHBondContact O-N 3.08Å; N22-L24 PolarHBondContact O-N 3.46Å; L24-A28 VanDerWaalsContact O-CB 3.24Å; L24-A28 WeakPolarHBondContact O-CB 3.35Å; L24-A28 PolarHBondContact O-N 2.97Å; L24-M47 HydrophobicContact CB-CG 4.35Å |
| 25 | F | 95.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 91 Ų | 91 | 0% | 0 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -62 | -48.1 | 174.5 | 163.9 | -97 | 0 | 0 | 0 | 111.5 | W17 E21 N22 K23 A28 L29 V43 M47 V56 H59 Y60 L63 | W17-F25 HydrophobicContact CH2-CB 4.13Å; W17-F25 HydrophobicContact CH2-CD2 4.08Å; W17-F25 HydrophobicContact CH2-CG 4.27Å; W17-F25 HydrophobicContact CZ3-CB 3.64Å; W17-F25 HydrophobicContact CZ3-CD2 4.43Å; W17-F25 HydrophobicContact CZ3-CG 4.16Å; E21-F25 WeakPolarHBondContact O-CB 3.2Å; E21-F25 PolarHBondContact O-N 3.37Å; N22-F25 WeakPolarHBondContact O-CB 3.43Å; N22-F25 PolarHBondContact O-N 2.96Å; K23-F25 VanDerWaalsContact C-N 3.31Å; K23-F25 PolarHBondContact O-N 2.98Å; F25-A28 PolarHBondContact O-N 2.91Å; F25-L29 HydrophobicContact CE1-CD2 4.31Å; F25-L29 HydrophobicContact CZ-CD2 4.29Å; F25-L29 VanDerWaalsContact O-CB 3.26Å; F25-L29 WeakPolarHBondContact O-CB 3.5Å; F25-L29 PolarHBondContact O-N 2.92Å; F25-V43 HydrophobicContact CD2-CG1 4.08Å; F25-M47 HydrophobicContact CB-CE 4.22Å; F25-M47 HydrophobicContact CB-SD 3.96Å; F25-M47 HydrophobicContact CD2-SD 4.36Å; F25-V56 HydrophobicContact CD2-CG1 3.98Å; F25-V56 HydrophobicContact CE2-CG1 3.72Å; F25-H59 AromaticContact CD1-CD2 3.63Å; F25-H59 AromaticContact CE1-CD2 3.55Å; F25-H59 AromaticContact CZ-CD2 3.84Å; F25-Y60 HydrophobicContact CZ-CD2 4.38Å; F25-L63 HydrophobicContact CE1-CD2 4.17Å |
| 26 | E | 95.1 | Very high | 93.7 | Very high | 96 Ų | 96 | 88.5 Ų | 88.5 | 45% | 0.449 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.5 | -44.3 | 177.3 | -71.5 | 170.8 | -175.2 | 0 | 0 | 112.1 | N22 K23 A28 L29 A30 | N22-E26 PolarHBondContact ND2-OE1 3.42Å; N22-E26 WeakPolarHBondContact O-CG 3.41Å; N22-E26 PolarHBondContact O-N 3.31Å; K23-E26 PolarHBondContact O-N 3.34Å; E26-A28 PolarHBondContact O-N 3.4Å; E26-L29 PolarHBondContact O-N 3.31Å; E26-A30 PolarHBondContact O-N 2.89Å |
| 27 | E | 96.1 | Very high | 94.2 | Very high | 107 Ų | 107 | 87.8 Ų | 87.8 | 50% | 0.5 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 175.3 | -74 | 176.7 | -176.6 | 0 | 0 | 111.8 | K23 A30 R31 | K23-E27 WeakPolarHBondContact CE-OE1 3.26Å; K23-E27 WeakPolarHBondContact O-CG 3.24Å; K23-E27 PolarHBondContact O-N 3.46Å; E27-A30 PolarHBondContact O-N 3.22Å; E27-R31 PolarHBondContact O-N 2.88Å |
| 28 | A | 96.2 | Very high | 94.4 | Very high | 7 Ų | 7 | 91.7 Ų | 91.7 | 6% | 0.058 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -67 | -38.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | L24 F25 E26 A30 R31 Y32 V43 A46 M47 | L24-A28 VanDerWaalsContact O-CB 3.24Å; L24-A28 WeakPolarHBondContact O-CB 3.35Å; L24-A28 PolarHBondContact O-N 2.97Å; F25-A28 PolarHBondContact O-N 2.91Å; E26-A28 PolarHBondContact O-N 3.4Å; A28-A30 VanDerWaalsContact C-N 3.33Å; A28-A30 PolarHBondContact O-N 3.31Å; A28-R31 WeakPolarHBondContact O-CB 3.41Å; A28-R31 PolarHBondContact O-N 3.49Å; A28-Y32 WeakPolarHBondContact O-CD2 3.25Å; A28-Y32 PolarHBondContact O-N 3.08Å; A28-Y32 VanDerWaalsContact O-N 3.09Å; A28-V43 HydrophobicContact CB-CB 4.41Å; A28-V43 HydrophobicContact CB-CG1 3.87Å; A28-V43 HydrophobicContact CB-CG2 4.43Å; A28-A46 HydrophobicContact CB-CB 4.01Å; A28-M47 HydrophobicContact CB-CG 4.39Å |
| 29 | L | 95.5 | Very high | 94.6 | Very high | 30 Ų | 30 | 90.6 Ų | 90.6 | 16% | 0.157 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -64.6 | -37.5 | 177.4 | -166.7 | 71.7 | 0 | 0 | 0 | 111.7 | F25 E26 R31 Y32 W40 Y60 | F25-L29 HydrophobicContact CE1-CD2 4.31Å; F25-L29 HydrophobicContact CZ-CD2 4.29Å; F25-L29 VanDerWaalsContact O-CB 3.26Å; F25-L29 WeakPolarHBondContact O-CB 3.5Å; F25-L29 PolarHBondContact O-N 2.92Å; E26-L29 PolarHBondContact O-N 3.31Å; L29-R31 VanDerWaalsContact C-N 3.26Å; L29-R31 PolarHBondContact O-N 2.99Å; L29-Y32 CarbonylContact O-C 3.37Å; L29-Y32 PolarHBondContact O-N 2.91Å; L29-Y32 VanDerWaalsContact O-O 3.08Å; L29-W40 HydrophobicContact CD1-CZ3 4.07Å; L29-Y60 HydrophobicContact CD1-CD2 3.88Å; L29-Y60 HydrophobicContact CD1-CE2 4.09Å; L29-Y60 HydrophobicContact CD2-CD2 3.89Å; L29-Y60 HydrophobicContact CD2-CE2 3.97Å |
| 30 | A | 94.7 | Very high | 94.8 | Very high | 79 Ų | 79 | 84 Ų | 84 | 65% | 0.653 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -63.6 | -32.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E26 E27 A28 | E26-A30 PolarHBondContact O-N 2.89Å; E27-A30 PolarHBondContact O-N 3.22Å; A28-A30 VanDerWaalsContact C-N 3.33Å; A28-A30 PolarHBondContact O-N 3.31Å |
| 31 | R | 95.1 | Very high | 95 | Very high | 196 Ų | 196 | 79.7 Ų | 79.7 | 74% | 0.74 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -74.7 | -37.5 | 176.9 | -163.4 | 174.5 | -152.8 | 165.6 | 6.3 | 113 | E27 A28 L29 | E27-R31 PolarHBondContact O-N 2.88Å; A28-R31 WeakPolarHBondContact O-CB 3.41Å; A28-R31 PolarHBondContact O-N 3.49Å; L29-R31 VanDerWaalsContact C-N 3.26Å; L29-R31 PolarHBondContact O-N 2.99Å |
| 32 | Y | 95.7 | Very high | 95.1 | Very high | 55 Ų | 55 | 81.3 Ų | 81.3 | 22% | 0.216 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -110.9 | 86.5 | -177.8 | -54.8 | -65.5 | 0 | 0 | 0 | 110.3 | A28 L29 T36 R39 K42 V43 A46 | A28-Y32 WeakPolarHBondContact O-CD2 3.25Å; A28-Y32 PolarHBondContact O-N 3.08Å; A28-Y32 VanDerWaalsContact O-N 3.09Å; L29-Y32 CarbonylContact O-C 3.37Å; L29-Y32 PolarHBondContact O-N 2.91Å; L29-Y32 VanDerWaalsContact O-O 3.08Å; Y32-T36 HydrophobicContact CD1-CG2 4.2Å; Y32-R39 PolarHBondContact O-NE 3.05Å; Y32-R39 PolarHBondContact O-NH2 3.45Å; Y32-K42 HydrophobicContact CD1-CB 3.98Å; Y32-K42 HydrophobicContact CD1-CD 3.97Å; Y32-K42 HydrophobicContact CD2-CB 3.99Å; Y32-K42 HydrophobicContact CE1-CB 3.82Å; Y32-K42 HydrophobicContact CE1-CD 3.94Å; Y32-K42 HydrophobicContact CE1-CG 4.3Å; Y32-K42 HydrophobicContact CE2-CB 3.83Å; Y32-K42 WeakPolarHBondContact CE2-O 3.3Å; Y32-K42 HydrophobicContact CG-CB 4.05Å; Y32-V43 HydrophobicContact CD2-CG2 3.75Å; Y32-V43 HydrophobicContact CG-CG2 4.42Å; Y32-A46 HydrophobicContact CE2-CB 3.85Å |
| 33 | R | 91.7 | Very high | 95.2 | Very high | 196 Ų | 196 | 79.2 Ų | 79.2 | 74% | 0.74 | 40% | 0.398 | S | S | * | . | trans | -65 | 166.2 | -179.1 | -55.8 | -177.1 | 94.3 | -173.4 | 6.3 | 111.8 | T36 | R33-T36 PolarHBondContact N-OG1 3.43Å; R33-T36 VanDerWaalsContact O-CB 3.26Å; R33-T36 WeakPolarHBondContact O-CB 3.34Å; R33-T36 PolarHBondContact O-N 3.11Å; R33-T36 PolarHBondContact O-OG1 2.87Å | ||
| 34 | E | 90.7 | Very high | 95.3 | Very high | 162 Ų | 162 | 73.8 Ų | 73.8 | 76% | 0.757 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 143.2 | 172.5 | -168.8 | 166.2 | -158.7 | 0 | 0 | 111.5 | T36 | E34-T36 VanDerWaalsContact C-N 3.32Š|
| 35 | G | 92.1 | Very high | 95.3 | Very high | 74 Ų | 74 | 79.5 Ų | 79.5 | 76% | 0.763 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.3 | -6.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | P37 | G35-P37 WeakPolarHBondContact O-CD 3.25Š|
| 36 | T | 93.3 | Very high | 95.3 | Very high | 38 Ų | 38 | 81.8 Ų | 81.8 | 23% | 0.233 | 41% | 0.412 | C | S | . | . | trans | -64.5 | 124.1 | 173.8 | -59.9 | 0 | 0 | 0 | 0 | 110.8 | Y32 R33 E34 R39 K42 | Y32-T36 HydrophobicContact CD1-CG2 4.2Å; R33-T36 PolarHBondContact N-OG1 3.43Å; R33-T36 VanDerWaalsContact O-CB 3.26Å; R33-T36 WeakPolarHBondContact O-CB 3.34Å; R33-T36 PolarHBondContact O-N 3.11Å; R33-T36 PolarHBondContact O-OG1 2.87Å; E34-T36 VanDerWaalsContact C-N 3.32Å; T36-R39 WeakPolarHBondContact O-CB 3.42Å; T36-R39 PolarHBondContact O-N 3.38Å; T36-K42 HydrophobicContact CG2-CD 3.81Å | ||
| 37 | P | 95.4 | Very high | 95.3 | Very high | 90 Ų | 90 | 77.6 Ų | 77.6 | 58% | 0.584 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 139.5 | 172.2 | -22.3 | 32.7 | 0 | 0 | 0 | 110.9 | G35 R39 K42 | G35-P37 WeakPolarHBondContact O-CD 3.25Å; P37-R39 PolarHBondContact O-N 2.85Å; P37-K42 WeakPolarHBondContact O-CE 3.42Å; P37-K42 PolarHBondContact O-NZ 3.47Å |
| 38 | D | 94.9 | Very high | 95.2 | Very high | 114 Ų | 114 | 75.7 Ų | 75.7 | 61% | 0.61 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 33.1 | -179.3 | -52 | -66.4 | 0 | 0 | 0 | 113.6 | W40 L41 K42 | D38-W40 VanDerWaalsContact C-N 3.28Å; D38-W40 PolarHBondContact O-N 3.18Å; D38-L41 HydrophobicContact CB-CB 4.26Å; D38-L41 PolarHBondContact O-N 3.06Å; D38-L41 VanDerWaalsContact O-N 3.07Å; D38-K42 PolarHBondContact O-N 2.77Å |
| 39 | R | 96.9 | Very high | 95 | Very high | 32 Ų | 32 | 77.7 Ų | 77.7 | 12% | 0.121 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -44.9 | -51.7 | -175.8 | -171.4 | -178.7 | -171 | -171.2 | 1.9 | 112.4 | Y32 T36 P37 L41 K42 V43 | Y32-R39 PolarHBondContact O-NE 3.05Å; Y32-R39 PolarHBondContact O-NH2 3.45Å; T36-R39 WeakPolarHBondContact O-CB 3.42Å; T36-R39 PolarHBondContact O-N 3.38Å; P37-R39 PolarHBondContact O-N 2.85Å; R39-L41 PolarHBondContact O-N 2.75Å; R39-K42 PolarHBondContact O-N 2.97Å; R39-V43 HydrophobicContact CG-CG2 4.49Å; R39-V43 VanDerWaalsContact O-CG2 3.3Å; R39-V43 WeakPolarHBondContact O-CG2 3.41Å; R39-V43 PolarHBondContact O-N 3.19Å |
| 40 | W | 97.1 | Very high | 94.8 | Very high | 59 Ų | 59 | 81.4 Ų | 81.4 | 22% | 0.223 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -67.9 | -36.4 | -175.4 | -50.9 | 129.1 | 0 | 0 | 0 | 113.3 | L29 D38 V43 S44 A53 V56 R57 Y60 | L29-W40 HydrophobicContact CD1-CZ3 4.07Å; D38-W40 VanDerWaalsContact C-N 3.28Å; D38-W40 PolarHBondContact O-N 3.18Å; W40-V43 PolarHBondContact O-N 3.06Å; W40-S44 VanDerWaalsContact O-CB 3.25Å; W40-S44 WeakPolarHBondContact O-CB 3.33Å; W40-S44 PolarHBondContact O-N 3.39Å; W40-A53 HydrophobicContact CB-CB 3.99Å; W40-V56 HydrophobicContact CE3-CG1 3.7Å; W40-V56 HydrophobicContact CZ3-CG1 4.31Å; W40-R57 HydrophobicContact CD2-CB 4.04Å; W40-R57 HydrophobicContact CD2-CG 4.42Å; W40-R57 HydrophobicContact CG-CB 4Å; W40-R57 HydrophobicContact CZ2-CG 4.33Å; W40-Y60 AromaticContact CH2-CD1 3.5Å; W40-Y60 HydrophobicContact CH2-CD1 3.5Å; W40-Y60 VanDerWaalsContact CH2-CD1 3.5Å; W40-Y60 AromaticContact CH2-CD2 3.81Å; W40-Y60 HydrophobicContact CH2-CD2 3.81Å; W40-Y60 HydrophobicContact CH2-CE1 4.06Å; W40-Y60 HydrophobicContact CH2-CE2 4.32Å; W40-Y60 AromaticContact CH2-CG 3.35Å; W40-Y60 HydrophobicContact CH2-CG 3.35Å; W40-Y60 HydrophobicContact CZ2-CD1 4.02Å; W40-Y60 HydrophobicContact CZ2-CG 4.27Å; W40-Y60 HydrophobicContact CZ3-CD1 4.49Å; W40-Y60 HydrophobicContact CZ3-CD2 4.2Å; W40-Y60 AromaticContact CZ3-CG 3.93Å; W40-Y60 HydrophobicContact CZ3-CG 3.93Å |
| 41 | L | 97.3 | Very high | 94.8 | Very high | 72 Ų | 72 | 78.6 Ų | 78.6 | 38% | 0.377 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.6 | -40.4 | 174.2 | -173.5 | 64.7 | 0 | 0 | 0 | 110.9 | D38 R39 R45 | D38-L41 HydrophobicContact CB-CB 4.26Å; D38-L41 PolarHBondContact O-N 3.06Å; D38-L41 VanDerWaalsContact O-N 3.07Å; R39-L41 PolarHBondContact O-N 2.75Å; L41-R45 WeakPolarHBondContact O-CB 3.47Å; L41-R45 VanDerWaalsContact O-CG 3.25Å; L41-R45 WeakPolarHBondContact O-CG 3.42Å; L41-R45 PolarHBondContact O-N 3Å |
| 42 | K | 97.4 | Very high | 94.8 | Very high | 72 Ų | 72 | 72.9 Ų | 72.9 | 31% | 0.313 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -66.5 | -41.5 | 176.7 | -71.9 | 174.6 | 177.4 | 161.9 | 0 | 112.4 | Y32 T36 P37 D38 R39 R45 A46 | Y32-K42 HydrophobicContact CD1-CB 3.98Å; Y32-K42 HydrophobicContact CD1-CD 3.97Å; Y32-K42 HydrophobicContact CD2-CB 3.99Å; Y32-K42 HydrophobicContact CE1-CB 3.82Å; Y32-K42 HydrophobicContact CE1-CD 3.94Å; Y32-K42 HydrophobicContact CE1-CG 4.3Å; Y32-K42 HydrophobicContact CE2-CB 3.83Å; Y32-K42 WeakPolarHBondContact CE2-O 3.3Å; Y32-K42 HydrophobicContact CG-CB 4.05Å; T36-K42 HydrophobicContact CG2-CD 3.81Å; P37-K42 WeakPolarHBondContact O-CE 3.42Å; P37-K42 PolarHBondContact O-NZ 3.47Å; D38-K42 PolarHBondContact O-N 2.77Å; R39-K42 PolarHBondContact O-N 2.97Å; K42-R45 PolarHBondContact O-N 2.58Å; K42-A46 WeakPolarHBondContact O-CB 3.33Å; K42-A46 PolarHBondContact O-N 3.42Å |
| 43 | V | 97.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63.8 | -50.5 | 175.1 | 171.5 | 0 | 0 | 0 | 0 | 110.4 | F25 A28 Y32 R39 W40 R45 A46 M47 V56 | F25-V43 HydrophobicContact CD2-CG1 4.08Å; A28-V43 HydrophobicContact CB-CB 4.41Å; A28-V43 HydrophobicContact CB-CG1 3.87Å; A28-V43 HydrophobicContact CB-CG2 4.43Å; Y32-V43 HydrophobicContact CD2-CG2 3.75Å; Y32-V43 HydrophobicContact CG-CG2 4.42Å; R39-V43 HydrophobicContact CG-CG2 4.49Å; R39-V43 VanDerWaalsContact O-CG2 3.3Å; R39-V43 WeakPolarHBondContact O-CG2 3.41Å; R39-V43 PolarHBondContact O-N 3.19Å; W40-V43 PolarHBondContact O-N 3.06Å; V43-R45 VanDerWaalsContact C-N 3.31Å; V43-R45 PolarHBondContact O-N 3.06Å; V43-A46 PolarHBondContact O-N 3.04Å; V43-A46 VanDerWaalsContact O-N 3.08Å; V43-M47 HydrophobicContact CG1-SD 3.99Å; V43-M47 WeakPolarHBondContact O-CG 3.29Å; V43-M47 PolarHBondContact O-N 3.2Å; V43-V56 HydrophobicContact CB-CG1 3.88Å; V43-V56 HydrophobicContact CG1-CG1 3.39Å; V43-V56 HydrophobicContact CG1-CG2 4.32Å |
| 44 | S | 96.6 | Very high | 95 | Very high | 11 Ų | 11 | 66.2 Ų | 66.2 | 8% | 0.077 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -53.2 | -46.7 | 175.8 | 164.7 | 0 | 0 | 0 | 0 | 112.1 | W40 M47 G49 K51 | W40-S44 VanDerWaalsContact O-CB 3.25Å; W40-S44 WeakPolarHBondContact O-CB 3.33Å; W40-S44 PolarHBondContact O-N 3.39Å; S44-M47 PolarHBondContact O-N 3.46Å; S44-G49 WeakPolarHBondContact O-CA 3.37Å; S44-G49 PolarHBondContact O-N 2.89Å; S44-K51 VanDerWaalsContact CB-O 3.3Å; S44-K51 WeakPolarHBondContact CB-O 3.43Å; S44-K51 PolarHBondContact OG-O 3.37Å |
| 45 | R | 96.6 | Very high | 95.2 | Very high | 179 Ų | 179 | 61.8 Ų | 61.8 | 68% | 0.675 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -65.6 | -39.9 | 176.4 | -73.1 | 175.8 | -179.1 | -167 | 1.8 | 113 | L41 K42 V43 M47 G48 | L41-R45 WeakPolarHBondContact O-CB 3.47Å; L41-R45 VanDerWaalsContact O-CG 3.25Å; L41-R45 WeakPolarHBondContact O-CG 3.42Å; L41-R45 PolarHBondContact O-N 3Å; K42-R45 PolarHBondContact O-N 2.58Å; V43-R45 VanDerWaalsContact C-N 3.31Å; V43-R45 PolarHBondContact O-N 3.06Å; R45-M47 PolarHBondContact O-N 3.08Å; R45-G48 WeakPolarHBondContact O-CA 3.41Å; R45-G48 PolarHBondContact O-N 3.29Å |
| 46 | A | 95.7 | Very high | 95.3 | Very high | 49 Ų | 49 | 58.2 Ų | 58.2 | 41% | 0.405 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.9 | -29.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A28 Y32 K42 V43 G48 | A28-A46 HydrophobicContact CB-CB 4.01Å; Y32-A46 HydrophobicContact CE2-CB 3.85Å; K42-A46 WeakPolarHBondContact O-CB 3.33Å; K42-A46 PolarHBondContact O-N 3.42Å; V43-A46 PolarHBondContact O-N 3.04Å; V43-A46 VanDerWaalsContact O-N 3.08Å; A46-G48 PolarHBondContact O-N 3.27Å |
| 47 | M | 94.7 | Very high | 95.4 | Very high | 8 Ų | 8 | 60.6 Ų | 60.6 | 4% | 0.039 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 7.8 | 170.4 | -62.2 | 171.2 | 59.4 | 0 | 0 | 113.6 | W17 L24 F25 A28 V43 S44 R45 G49 K51 V56 | W17-M47 HydrophobicContact CE3-CE 4.46Å; W17-M47 HydrophobicContact CH2-CE 3.54Å; W17-M47 HydrophobicContact CH2-SD 4.17Å; W17-M47 HydrophobicContact CZ3-CE 3.3Å; W17-M47 HydrophobicContact CZ3-SD 4.29Å; L24-M47 HydrophobicContact CB-CG 4.35Å; F25-M47 HydrophobicContact CB-CE 4.22Å; F25-M47 HydrophobicContact CB-SD 3.96Å; F25-M47 HydrophobicContact CD2-SD 4.36Å; A28-M47 HydrophobicContact CB-CG 4.39Å; V43-M47 HydrophobicContact CG1-SD 3.99Å; V43-M47 WeakPolarHBondContact O-CG 3.29Å; V43-M47 PolarHBondContact O-N 3.2Å; S44-M47 PolarHBondContact O-N 3.46Å; R45-M47 PolarHBondContact O-N 3.08Å; M47-G49 VanDerWaalsContact C-N 3.35Å; M47-K51 HydrophobicContact CE-CB 4.15Å; M47-K51 HydrophobicContact CE-CG 3.85Å; M47-V56 HydrophobicContact SD-CG2 4.05Å |
| 48 | G | 94.2 | Very high | 95.4 | Very high | 67 Ų | 67 | 63 Ų | 63 | 69% | 0.691 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | 13.9 | -179 | 0 | 0 | 0 | 0 | 0 | 114.7 | R45 A46 I50 | R45-G48 WeakPolarHBondContact O-CA 3.41Å; R45-G48 PolarHBondContact O-N 3.29Å; A46-G48 PolarHBondContact O-N 3.27Å; G48-I50 VanDerWaalsContact C-N 3.29Å; G48-I50 PolarHBondContact O-N 3.24Å |
| 49 | G | 92.2 | Very high | 95.4 | Very high | 49 Ų | 49 | 58.1 Ų | 58.1 | 51% | 0.505 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | 11.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S44 M47 K51 | S44-G49 WeakPolarHBondContact O-CA 3.37Å; S44-G49 PolarHBondContact O-N 2.89Å; M47-G49 VanDerWaalsContact C-N 3.35Å; G49-K51 PolarHBondContact O-N 3.49Å |
| 50 | I | 91.9 | Very high | 95.3 | Very high | 108 Ų | 108 | 59 Ų | 59 | 55% | 0.554 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -63.4 | -32.9 | 178.3 | -59.8 | 170.7 | 0 | 0 | 0 | 111.4 | G48 | G48-I50 VanDerWaalsContact C-N 3.29Å; G48-I50 PolarHBondContact O-N 3.24Å |
| 51 | K | 94.1 | Very high | 95.1 | Very high | 19 Ų | 19 | 60.3 Ų | 60.3 | 8% | 0.083 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -117.8 | 141.6 | 176 | -62.6 | -67.2 | -171.6 | 178.8 | 0 | 109.6 | N16 W17 E21 S44 M47 G49 E55 V56 | N16-K51 PolarHBondContact O-NZ 2.81Å; W17-K51 HydrophobicContact CH2-CB 4.19Å; W17-K51 HydrophobicContact CH2-CD 4.45Å; W17-K51 HydrophobicContact CH2-CG 3.72Å; W17-K51 HydrophobicContact CZ2-CB 4.41Å; W17-K51 HydrophobicContact CZ2-CD 4.21Å; W17-K51 HydrophobicContact CZ2-CG 3.93Å; W17-K51 HydrophobicContact CZ3-CG 4.14Å; E21-K51 WeakPolarHBondContact OE1-CE 3.4Å; E21-K51 IonicContact OE1-NZ 3.94Å; S44-K51 VanDerWaalsContact CB-O 3.3Å; S44-K51 WeakPolarHBondContact CB-O 3.43Å; S44-K51 PolarHBondContact OG-O 3.37Å; M47-K51 HydrophobicContact CE-CB 4.15Å; M47-K51 HydrophobicContact CE-CG 3.85Å; G49-K51 PolarHBondContact O-N 3.49Å; K51-E55 HydrophobicContact CB-CB 4.38Å; K51-V56 HydrophobicContact CB-CG2 4.03Å |
| 52 | T | 95.2 | Very high | 94.8 | Very high | 76 Ų | 76 | 58.4 Ų | 58.4 | 47% | 0.466 | 31% | 0.309 | S | S | . | . | trans | -72.2 | 159.6 | 174.5 | 62.3 | 0 | 0 | 0 | 0 | 111.5 | D54 E55 V56 | T52-D54 PolarHBondContact O-N 2.97Å; T52-E55 WeakPolarHBondContact CB-OE2 3.44Å; T52-E55 WeakPolarHBondContact CG2-OE2 3.28Å; T52-E55 PolarHBondContact N-OE2 2.9Å; T52-E55 PolarHBondContact O-N 3.25Å; T52-E55 VanDerWaalsContact OG1-CG 3.28Å; T52-E55 WeakPolarHBondContact OG1-CG 3.39Å; T52-E55 PolarHBondContact OG1-N 2.91Å; T52-E55 PolarHBondContact OG1-OE2 3.42Å; T52-V56 WeakPolarHBondContact O-CG2 3.48Å; T52-V56 PolarHBondContact O-N 2.93Å | ||
| 53 | A | 95.8 | Very high | 94.5 | Very high | 30 Ų | 30 | 58 Ų | 58 | 25% | 0.248 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58 | -34.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | W40 R57 | W40-A53 HydrophobicContact CB-CB 3.99Å; A53-R57 PolarHBondContact O-N 3.49Å |
| 54 | D | 95.6 | Very high | 94.1 | Very high | 81 Ų | 81 | 61.7 Ų | 61.7 | 43% | 0.433 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -69.7 | -40.4 | 177 | -77.4 | -41.6 | 0 | 0 | 0 | 112.6 | T52 R57 R58 | T52-D54 PolarHBondContact O-N 2.97Å; D54-R57 PolarHBondContact O-N 2.76Å; D54-R57 IonicContact OD1-CZ 3.51Å; D54-R57 IonicContact OD1-NH1 3.86Å; D54-R57 IonicContact OD1-NH2 2.77Å; D54-R57 PolarHBondContact OD1-NH2 3.16Å; D54-R58 WeakPolarHBondContact O-CG 3.46Å; D54-R58 PolarHBondContact O-N 2.77Å |
| 55 | E | 94.6 | Very high | 93.8 | Very high | 69 Ų | 69 | 67 Ų | 67 | 32% | 0.322 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.7 | -41.9 | 174.6 | -73.8 | 168.6 | 116.2 | 0 | 0 | 111.7 | K51 T52 R58 H59 | K51-E55 HydrophobicContact CB-CB 4.38Å; T52-E55 WeakPolarHBondContact CB-OE2 3.44Å; T52-E55 WeakPolarHBondContact CG2-OE2 3.28Å; T52-E55 PolarHBondContact N-OE2 2.9Å; T52-E55 PolarHBondContact O-N 3.25Å; T52-E55 VanDerWaalsContact OG1-CG 3.28Å; T52-E55 WeakPolarHBondContact OG1-CG 3.39Å; T52-E55 PolarHBondContact OG1-N 2.91Å; T52-E55 PolarHBondContact OG1-OE2 3.42Å; E55-R58 PolarHBondContact O-N 3.13Å; E55-H59 WeakPolarHBondContact O-CB 3.26Å; E55-H59 PolarHBondContact O-N 2.93Å |
| 56 | V | 95.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.3 | -45 | 175.7 | 171.7 | 0 | 0 | 0 | 0 | 111 | W17 F25 W40 V43 M47 K51 T52 H59 Y60 | W17-V56 HydrophobicContact CH2-CG2 4.33Å; F25-V56 HydrophobicContact CD2-CG1 3.98Å; F25-V56 HydrophobicContact CE2-CG1 3.72Å; W40-V56 HydrophobicContact CE3-CG1 3.7Å; W40-V56 HydrophobicContact CZ3-CG1 4.31Å; V43-V56 HydrophobicContact CB-CG1 3.88Å; V43-V56 HydrophobicContact CG1-CG1 3.39Å; V43-V56 HydrophobicContact CG1-CG2 4.32Å; M47-V56 HydrophobicContact SD-CG2 4.05Å; K51-V56 HydrophobicContact CB-CG2 4.03Å; T52-V56 WeakPolarHBondContact O-CG2 3.48Å; T52-V56 PolarHBondContact O-N 2.93Å; V56-H59 PolarHBondContact O-N 3.23Å; V56-Y60 PolarHBondContact O-N 2.72Å |
| 57 | R | 95.3 | Very high | 92.9 | Very high | 88 Ų | 88 | 63.1 Ų | 63.1 | 33% | 0.332 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.4 | -47.9 | 177.6 | -178 | -174.2 | 63.5 | -147.4 | -21.5 | 111.2 | W40 A53 D54 H59 Y60 E61 | W40-R57 HydrophobicContact CD2-CB 4.04Å; W40-R57 HydrophobicContact CD2-CG 4.42Å; W40-R57 HydrophobicContact CG-CB 4Å; W40-R57 HydrophobicContact CZ2-CG 4.33Å; A53-R57 PolarHBondContact O-N 3.49Å; D54-R57 PolarHBondContact O-N 2.76Å; D54-R57 IonicContact OD1-CZ 3.51Å; D54-R57 IonicContact OD1-NH1 3.86Å; D54-R57 IonicContact OD1-NH2 2.77Å; D54-R57 PolarHBondContact OD1-NH2 3.16Å; R57-H59 VanDerWaalsContact C-N 3.31Å; R57-H59 PolarHBondContact O-N 3.48Å; R57-Y60 WeakPolarHBondContact O-CB 3.42Å; R57-Y60 PolarHBondContact O-N 3.2Å; R57-E61 WeakPolarHBondContact CD-OE1 3.24Å; R57-E61 WeakPolarHBondContact CG-OE1 3.34Å; R57-E61 IonicContact NE-OE1 3.65Å; R57-E61 WeakPolarHBondContact O-CG 3.45Å; R57-E61 PolarHBondContact O-N 2.81Å |
| 58 | R | 94.5 | Very high | 92.6 | Very high | 139 Ų | 139 | 66.3 Ų | 66.3 | 53% | 0.525 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.6 | -41.4 | 179.2 | -72.4 | 176.8 | -174.2 | 134.9 | 1.9 | 112 | D54 E55 Y60 E61 I62 | D54-R58 WeakPolarHBondContact O-CG 3.46Å; D54-R58 PolarHBondContact O-N 2.77Å; E55-R58 PolarHBondContact O-N 3.13Å; R58-Y60 VanDerWaalsContact C-N 3.32Å; R58-Y60 PolarHBondContact O-N 2.68Å; R58-E61 PolarHBondContact O-N 3.29Å; R58-I62 WeakPolarHBondContact O-CG1 3.28Å; R58-I62 PolarHBondContact O-N 3.07Å; R58-I62 VanDerWaalsContact O-N 3.1Å |
| 59 | H | 94.6 | Very high | 92.2 | Very high | 13 Ų | 13 | 66 Ų | 66 | 6% | 0.06 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.8 | -41.6 | 176.6 | -166.2 | 58.6 | 0 | 0 | 0 | 112 | D14 W17 N22 F25 E55 V56 R57 L63 | D14-H59 IonicContact OD1-ND1 3.95Å; W17-H59 AromaticContact CD1-CE1 3.7Å; W17-H59 AromaticContact CD1-CG 3.96Å; W17-H59 AromaticContact CD1-ND1 3.34Å; W17-H59 VanDerWaalsContact CD1-ND1 3.34Å; W17-H59 AromaticContact CD2-CD2 3.96Å; W17-H59 AromaticContact CD2-CE1 4Å; W17-H59 AromaticContact CD2-CG 3.95Å; W17-H59 AromaticContact CD2-ND1 3.96Å; W17-H59 AromaticContact CD2-NE2 3.98Å; W17-H59 AromaticContact CE2-CD2 3.83Å; W17-H59 AromaticContact CE2-CG 3.45Å; W17-H59 VanDerWaalsContact CE2-CG 3.45Å; W17-H59 AromaticContact CE2-ND1 3.7Å; W17-H59 AromaticContact CG-CE1 3.7Å; W17-H59 AromaticContact CG-ND1 3.77Å; W17-H59 HydrophobicContact CH2-CB 4.43Å; W17-H59 HydrophobicContact CZ2-CB 3.6Å; W17-H59 AromaticContact CZ2-CD2 3.98Å; W17-H59 AromaticContact CZ2-CG 3.72Å; W17-H59 AromaticContact NE1-CG 3.47Å; W17-H59 AromaticContact NE1-ND1 3.29Å; W17-H59 PolarHBondContact NE1-ND1 2.92Å; N22-H59 PolarHBondContact OD1-NE2 3.07Å; F25-H59 AromaticContact CD1-CD2 3.63Å; F25-H59 AromaticContact CE1-CD2 3.55Å; F25-H59 AromaticContact CZ-CD2 3.84Å; E55-H59 WeakPolarHBondContact O-CB 3.26Å; E55-H59 PolarHBondContact O-N 2.93Å; V56-H59 PolarHBondContact O-N 3.23Å; R57-H59 VanDerWaalsContact C-N 3.31Å; R57-H59 PolarHBondContact O-N 3.48Å; H59-L63 WeakPolarHBondContact O-CB 3.33Å; H59-L63 PolarHBondContact O-N 3.27Å |
| 60 | Y | 94.5 | Very high | 91.7 | Very high | 51 Ų | 51 | 69 Ų | 69 | 20% | 0.2 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 174 | 179.6 | -92.5 | 0 | 0 | 0 | 113 | F25 L29 W40 V56 R57 R58 L63 N64 | F25-Y60 HydrophobicContact CZ-CD2 4.38Å; L29-Y60 HydrophobicContact CD1-CD2 3.88Å; L29-Y60 HydrophobicContact CD1-CE2 4.09Å; L29-Y60 HydrophobicContact CD2-CD2 3.89Å; L29-Y60 HydrophobicContact CD2-CE2 3.97Å; W40-Y60 AromaticContact CH2-CD1 3.5Å; W40-Y60 HydrophobicContact CH2-CD1 3.5Å; W40-Y60 VanDerWaalsContact CH2-CD1 3.5Å; W40-Y60 AromaticContact CH2-CD2 3.81Å; W40-Y60 HydrophobicContact CH2-CD2 3.81Å; W40-Y60 HydrophobicContact CH2-CE1 4.06Å; W40-Y60 HydrophobicContact CH2-CE2 4.32Å; W40-Y60 AromaticContact CH2-CG 3.35Å; W40-Y60 HydrophobicContact CH2-CG 3.35Å; W40-Y60 HydrophobicContact CZ2-CD1 4.02Å; W40-Y60 HydrophobicContact CZ2-CG 4.27Å; W40-Y60 HydrophobicContact CZ3-CD1 4.49Å; W40-Y60 HydrophobicContact CZ3-CD2 4.2Å; W40-Y60 AromaticContact CZ3-CG 3.93Å; W40-Y60 HydrophobicContact CZ3-CG 3.93Å; V56-Y60 PolarHBondContact O-N 2.72Å; R57-Y60 WeakPolarHBondContact O-CB 3.42Å; R57-Y60 PolarHBondContact O-N 3.2Å; R58-Y60 VanDerWaalsContact C-N 3.32Å; R58-Y60 PolarHBondContact O-N 2.68Å; Y60-L63 PolarHBondContact O-N 2.78Å; Y60-N64 HydrophobicContact CE1-CB 4.36Å; Y60-N64 VanDerWaalsContact O-CB 3.29Å; Y60-N64 WeakPolarHBondContact O-CB 3.46Å; Y60-N64 PolarHBondContact O-N 2.98Å |
| 61 | E | 93.6 | Very high | 91.3 | Very high | 85 Ų | 85 | 69.7 Ų | 69.7 | 40% | 0.397 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.8 | -47.2 | 178.4 | -73.1 | 163.1 | 176.4 | 0 | 0 | 111 | R57 R58 N64 E65 | R57-E61 WeakPolarHBondContact CD-OE1 3.24Å; R57-E61 WeakPolarHBondContact CG-OE1 3.34Å; R57-E61 IonicContact NE-OE1 3.65Å; R57-E61 WeakPolarHBondContact O-CG 3.45Å; R57-E61 PolarHBondContact O-N 2.81Å; R58-E61 PolarHBondContact O-N 3.29Å; E61-N64 PolarHBondContact O-N 3.42Å; E61-E65 WeakPolarHBondContact O-CG 3.48Å; E61-E65 PolarHBondContact O-N 3.32Å |
| 62 | I | 90.8 | Very high | 90.9 | Very high | 32 Ų | 32 | 72.6 Ų | 72.6 | 16% | 0.164 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61 | -48.3 | 176.6 | -63.6 | 160.2 | 0 | 0 | 0 | 110.9 | T13 D14 R58 N64 E65 D66 | T13-I62 VanDerWaalsContact OG1-CD1 3.24Å; T13-I62 WeakPolarHBondContact OG1-CD1 3.37Å; D14-I62 WeakPolarHBondContact OD1-CG2 3.15Å; R58-I62 WeakPolarHBondContact O-CG1 3.28Å; R58-I62 PolarHBondContact O-N 3.07Å; R58-I62 VanDerWaalsContact O-N 3.1Å; I62-N64 VanDerWaalsContact C-N 3.26Å; I62-N64 PolarHBondContact O-N 3.02Å; I62-E65 WeakPolarHBondContact O-CB 3.36Å; I62-E65 PolarHBondContact O-N 2.84Å; I62-E65 VanDerWaalsContact O-N 3.17Å; I62-D66 PolarHBondContact O-N 3.28Å |
| 63 | L | 90.4 | Very high | 89.9 | Confident | 63 Ų | 63 | 71.9 Ų | 71.9 | 33% | 0.33 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -58.9 | -39.7 | 178.1 | -178 | 63.8 | 0 | 0 | 0 | 111.9 | F25 H59 Y60 D66 V67 | F25-L63 HydrophobicContact CE1-CD2 4.17Å; H59-L63 WeakPolarHBondContact O-CB 3.33Å; H59-L63 PolarHBondContact O-N 3.27Å; Y60-L63 PolarHBondContact O-N 2.78Å; L63-D66 PolarHBondContact O-N 3.42Å; L63-V67 WeakPolarHBondContact O-CG2 3.4Å; L63-V67 PolarHBondContact O-N 2.99Å; L63-V67 VanDerWaalsContact O-N 3.08Å |
| 64 | N | 90.5 | Very high | 88.6 | Confident | 78 Ų | 78 | 72.7 Ų | 72.7 | 42% | 0.417 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -71.2 | -36.1 | 179.1 | -172.1 | 70.6 | 0 | 0 | 0 | 112.3 | Y60 E61 I62 T68 | Y60-N64 HydrophobicContact CE1-CB 4.36Å; Y60-N64 VanDerWaalsContact O-CB 3.29Å; Y60-N64 WeakPolarHBondContact O-CB 3.46Å; Y60-N64 PolarHBondContact O-N 2.98Å; E61-N64 PolarHBondContact O-N 3.42Å; I62-N64 VanDerWaalsContact C-N 3.26Å; I62-N64 PolarHBondContact O-N 3.02Å; N64-T68 WeakPolarHBondContact O-CB 3.37Å; N64-T68 PolarHBondContact O-N 3.21Å; N64-T68 PolarHBondContact O-OG1 3.38Å |
| 65 | E | 89.2 | Confident | 87.3 | Confident | 122 Ų | 122 | 73.5 Ų | 73.5 | 57% | 0.57 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -60.7 | -47.4 | 172 | -74.9 | 175.4 | -164.5 | 0 | 0 | 111 | E61 I62 V67 T68 L69 | E61-E65 WeakPolarHBondContact O-CG 3.48Å; E61-E65 PolarHBondContact O-N 3.32Å; I62-E65 WeakPolarHBondContact O-CB 3.36Å; I62-E65 PolarHBondContact O-N 2.84Å; I62-E65 VanDerWaalsContact O-N 3.17Å; E65-V67 PolarHBondContact O-N 3.17Å; E65-T68 WeakPolarHBondContact O-CB 3.43Å; E65-T68 PolarHBondContact O-N 3.24Å; E65-T68 VanDerWaalsContact O-N 3.16Å; E65-L69 WeakPolarHBondContact O-CG 3.43Å; E65-L69 PolarHBondContact O-N 3.43Å |
| 66 | D | 85.9 | Confident | 86.2 | Confident | 74 Ų | 74 | 75.5 Ų | 75.5 | 40% | 0.396 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.3 | -45.6 | 177.6 | -78.8 | -16.3 | 0 | 0 | 0 | 112.1 | I62 L63 T68 L69 I70 | I62-D66 PolarHBondContact O-N 3.28Å; L63-D66 PolarHBondContact O-N 3.42Å; D66-T68 VanDerWaalsContact C-N 3.31Å; D66-T68 PolarHBondContact O-N 3.3Å; D66-L69 PolarHBondContact O-N 3.43Å; D66-I70 WeakPolarHBondContact O-CG1 3.42Å; D66-I70 PolarHBondContact O-N 3.08Å; D66-I70 VanDerWaalsContact O-N 3.08Å |
| 67 | V | 88.3 | Confident | 85 | Confident | 73 Ų | 73 | 84.5 Ų | 84.5 | 44% | 0.442 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.7 | -42.2 | 175.2 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | L63 E65 L69 I70 V71 | L63-V67 WeakPolarHBondContact O-CG2 3.4Å; L63-V67 PolarHBondContact O-N 2.99Å; L63-V67 VanDerWaalsContact O-N 3.08Å; E65-V67 PolarHBondContact O-N 3.17Å; V67-L69 VanDerWaalsContact C-N 3.35Å; V67-L69 PolarHBondContact O-N 3.1Å; V67-I70 PolarHBondContact O-N 3.24Å; V67-V71 HydrophobicContact CG1-CG2 4.26Å; V67-V71 WeakPolarHBondContact O-CG2 3.43Å; V67-V71 PolarHBondContact O-N 3.45Å |
| 68 | T | 87.8 | Confident | 84.1 | Confident | 75 Ų | 75 | 83.8 Ų | 83.8 | 46% | 0.46 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.4 | -40.2 | 179.3 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | N64 E65 D66 I70 V71 S72 | N64-T68 WeakPolarHBondContact O-CB 3.37Å; N64-T68 PolarHBondContact O-N 3.21Å; N64-T68 PolarHBondContact O-OG1 3.38Å; E65-T68 WeakPolarHBondContact O-CB 3.43Å; E65-T68 PolarHBondContact O-N 3.24Å; E65-T68 VanDerWaalsContact O-N 3.16Å; D66-T68 VanDerWaalsContact C-N 3.31Å; D66-T68 PolarHBondContact O-N 3.3Å; T68-I70 VanDerWaalsContact C-N 3.33Å; T68-I70 PolarHBondContact O-N 2.9Å; T68-V71 PolarHBondContact O-N 3.43Å; T68-S72 VanDerWaalsContact O-CB 3.28Å; T68-S72 WeakPolarHBondContact O-CB 3.24Å; T68-S72 PolarHBondContact O-N 3.33Å; T68-S72 PolarHBondContact O-OG 3.02Å |
| 69 | L | 85 | Confident | 83.3 | Confident | 60 Ų | 60 | 85.1 Ų | 85.1 | 31% | 0.314 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.7 | -38.5 | 175.7 | -71.3 | 174.8 | 0 | 0 | 0 | 112.2 | E65 D66 V67 S72 G74 | E65-L69 WeakPolarHBondContact O-CG 3.43Å; E65-L69 PolarHBondContact O-N 3.43Å; D66-L69 PolarHBondContact O-N 3.43Å; V67-L69 VanDerWaalsContact C-N 3.35Å; V67-L69 PolarHBondContact O-N 3.1Å; L69-S72 PolarHBondContact O-OG 3.05Å; L69-G74 PolarHBondContact O-N 3.03Å |
| 70 | I | 83.3 | Confident | 82.5 | Confident | 114 Ų | 114 | 92.9 Ų | 92.9 | 59% | 0.585 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.3 | -49.5 | 175.4 | -66 | 165.3 | 0 | 0 | 0 | 110.6 | D66 V67 T68 G73 I75 | D66-I70 WeakPolarHBondContact O-CG1 3.42Å; D66-I70 PolarHBondContact O-N 3.08Å; D66-I70 VanDerWaalsContact O-N 3.08Å; V67-I70 PolarHBondContact O-N 3.24Å; T68-I70 VanDerWaalsContact C-N 3.33Å; T68-I70 PolarHBondContact O-N 2.9Å; I70-G73 PolarHBondContact O-N 3.36Å; I70-I75 HydrophobicContact CG1-CD1 3.81Å |
| 71 | V | 82 | Confident | 81.5 | Confident | 122 Ų | 122 | 97.6 Ų | 97.6 | 74% | 0.739 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.9 | -38.2 | -175.5 | 171.3 | 0 | 0 | 0 | 0 | 112.2 | V67 T68 G73 | V67-V71 HydrophobicContact CG1-CG2 4.26Å; V67-V71 WeakPolarHBondContact O-CG2 3.43Å; V67-V71 PolarHBondContact O-N 3.45Å; T68-V71 PolarHBondContact O-N 3.43Å; V71-G73 PolarHBondContact O-N 3.28Å; V71-G73 VanDerWaalsContact O-N 3.13Å |
| 72 | S | 85.7 | Confident | 80.3 | Confident | 79 Ų | 79 | 98.8 Ų | 98.8 | 55% | 0.552 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | -4.3 | 178.1 | 57.7 | 0 | 0 | 0 | 0 | 113.7 | T68 L69 G74 | T68-S72 VanDerWaalsContact O-CB 3.28Å; T68-S72 WeakPolarHBondContact O-CB 3.24Å; T68-S72 PolarHBondContact O-N 3.33Å; T68-S72 PolarHBondContact O-OG 3.02Å; L69-S72 PolarHBondContact O-OG 3.05Å; S72-G74 PolarHBondContact O-N 2.6Å |
| 73 | G | 74.8 | Confident | 78.9 | Confident | 62 Ų | 62 | 106.5 Ų | 106.5 | 64% | 0.639 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.6 | 18.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I70 V71 I75 | I70-G73 PolarHBondContact O-N 3.36Å; V71-G73 PolarHBondContact O-N 3.28Å; V71-G73 VanDerWaalsContact O-N 3.13Å; G73-I75 PolarHBondContact O-N 2.92Å |
| 74 | G | 69.1 | Low | 77.6 | Confident | 46 Ų | 46 | 106.7 Ų | 106.7 | 47% | 0.474 | 61% | 0.608 | S | S | . | * | trans | -78.9 | 4.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L69 S72 P76 | L69-G74 PolarHBondContact O-N 3.03Å; S72-G74 PolarHBondContact O-N 2.6Å; G74-P76 VanDerWaalsContact O-CD 3.29Å; G74-P76 WeakPolarHBondContact O-CD 3.29Å | ||
| 75 | I | 67.5 | Low | 76.3 | Confident | 99 Ų | 99 | 107 Ų | 107 | 51% | 0.508 | 62% | 0.622 | S | S | . | * | S | Bend | trans | -90.8 | 108.2 | 174.2 | -53.6 | 176.8 | 0 | 0 | 0 | 107.5 | I70 G73 F77 | I70-I75 HydrophobicContact CG1-CD1 3.81Å; G73-I75 PolarHBondContact O-N 2.92Å; I75-F77 PolarHBondContact O-N 2.88Å |
| 76 | P | 72.2 | Confident | 75.1 | Confident | 110 Ų | 110 | 112 Ų | 112 | 71% | 0.714 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 132 | 173.4 | -16.8 | 30.9 | 0 | 0 | 0 | 108.8 | G74 P78 | G74-P76 VanDerWaalsContact O-CD 3.29Å; G74-P76 WeakPolarHBondContact O-CD 3.29Å; P76-P78 WeakPolarHBondContact O-CD 3.11Å |
| 77 | F | 70.9 | Confident | 73.6 | Confident | 189 Ų | 189 | 119.8 Ų | 119.8 | 83% | 0.829 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 127.9 | 167.7 | -69.8 | -76.4 | 0 | 0 | 0 | 108.1 | I75 N79 | I75-F77 PolarHBondContact O-N 2.88Å; F77-N79 PolarHBondContact O-N 2.78Å |
| 78 | P | 76.3 | Confident | 72.8 | Confident | 74 Ų | 74 | 122.1 Ų | 122.1 | 48% | 0.481 | 69% | 0.689 | S | S | . | * | P | Polyproline II helix | trans | -55.6 | 133.4 | 171.4 | -23.2 | 33.4 | 0 | 0 | 0 | 108.7 | P76 Y80 | P76-P78 WeakPolarHBondContact O-CD 3.11Å; P78-Y80 HydrophobicContact CB-CD1 4.47Å; P78-Y80 HydrophobicContact CB-CD2 4.05Å; P78-Y80 HydrophobicContact CB-CE1 4.1Å; P78-Y80 HydrophobicContact CB-CE2 3.64Å; P78-Y80 HydrophobicContact CB-CG 4.46Å; P78-Y80 HydrophobicContact CG-CE2 3.81Å; P78-Y80 WeakPolarHBondContact O-CD2 3.18Å; P78-Y80 PolarHBondContact O-N 3.28Å |
| 79 | N | 77.6 | Confident | 72.1 | Confident | 167 Ų | 167 | 124.6 Ų | 124.6 | 89% | 0.893 | 70% | 0.701 | S | S | * | * | trans | -69.7 | 80.6 | 168.7 | -75.8 | -28.8 | 0 | 0 | 0 | 107.7 | F77 N81 | F77-N79 PolarHBondContact O-N 2.78Å; N79-N81 PolarHBondContact O-N 3.14Å; N79-N81 VanDerWaalsContact O-N 3.14Å | ||
| 80 | Y | 76.9 | Confident | 71.3 | Confident | 175 Ų | 175 | 128.2 Ų | 128.2 | 69% | 0.686 | 72% | 0.722 | S | S | * | * | trans | -65.7 | 112.4 | 169.5 | -63 | -75.1 | 0 | 0 | 0 | 107.1 | P78 T82 | P78-Y80 HydrophobicContact CB-CD1 4.47Å; P78-Y80 HydrophobicContact CB-CD2 4.05Å; P78-Y80 HydrophobicContact CB-CE1 4.1Å; P78-Y80 HydrophobicContact CB-CE2 3.64Å; P78-Y80 HydrophobicContact CB-CG 4.46Å; P78-Y80 HydrophobicContact CG-CE2 3.81Å; P78-Y80 WeakPolarHBondContact O-CD2 3.18Å; P78-Y80 PolarHBondContact O-N 3.28Å; Y80-T82 VanDerWaalsContact C-N 3.29Å; Y80-T82 PolarHBondContact O-N 2.78Å | ||
| 81 | N | 74.5 | Confident | 70.6 | Confident | 150 Ų | 150 | 129 Ų | 129 | 80% | 0.802 | 73% | 0.73 | S | S | * | * | trans | -65.7 | 91 | 168.6 | 56.3 | -25.5 | 0 | 0 | 0 | 108.6 | N79 Q83 | N79-N81 PolarHBondContact O-N 3.14Å; N79-N81 VanDerWaalsContact O-N 3.14Å; N81-Q83 PolarHBondContact O-N 3.17Å | ||
| 82 | T | 67.6 | Low | 69.9 | Low | 110 Ų | 110 | 129.4 Ų | 129.4 | 68% | 0.675 | 73% | 0.73 | S | S | * | * | trans | -76 | 2.5 | 177.2 | 46.7 | 0 | 0 | 0 | 0 | 113.4 | Y80 G84 | Y80-T82 VanDerWaalsContact C-N 3.29Å; Y80-T82 PolarHBondContact O-N 2.78Å; T82-G84 VanDerWaalsContact C-N 3.29Å; T82-G84 PolarHBondContact O-N 3.23Å | ||
| 83 | Q | 62.5 | Low | 68.9 | Low | 195 Ų | 195 | 132.8 Ų | 132.8 | 91% | 0.911 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | 74.7 | 180 | -159.2 | 166.4 | 2.9 | 0 | 0 | 110.5 | N81 | N81-Q83 PolarHBondContact O-N 3.17Š|
| 84 | G | 63.1 | Low | 68.5 | Low | 66 Ų | 66 | 137.9 Ų | 137.9 | 68% | 0.68 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 164.1 | -12.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | T82 | T82-G84 VanDerWaalsContact C-N 3.29Å; T82-G84 PolarHBondContact O-N 3.23Å |
| 85 | A | 62.6 | Low | 68.4 | Low | 85 Ų | 85 | 144.9 Ų | 144.9 | 70% | 0.702 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -106.6 | 15.5 | -169.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 86 | W | 63.5 | Low | 68.5 | Low | 228 Ų | 228 | 148.8 Ų | 148.8 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | -129.1 | 30.3 | 178.9 | -61.3 | 95.4 | 0 | 0 | 0 | 114.1 | ||||
| 87 | N | 54.2 | Low | 68.1 | Low | 236 Ų | 236 | 152.3 Ų | 152.3 | 100% | 1.262 | 80% | 0.799 | S | S | * | * | trans | -130.4 | 0 | 167.2 | -65.4 | -46 | 0 | 0 | 0 | 110.4 |
Retrieved 87 of 87 residues in 16.5 ms
(Link to these results)