| 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 | 50.4 | Low | 64.3 | Low | 158 Ų | 158 | 98.5 Ų | 98.5 | 78% | 0.778 | 55% | 0.553 | S | S | * | * | 0 | 122.8 | 0 | -155.7 | 78.2 | 167.7 | 0 | 0 | 106.1 | S13 | M1-S13 WeakPolarHBondContact CB-OG 3.03Å; M1-S13 WeakPolarHBondContact O-CB 3.06Å; M1-S13 PolarHBondContact O-N 3.44Å; M1-S13 PolarHBondContact O-OG 3.38Å | |||
| 2 | A | 58.1 | Low | 64.1 | Low | 61 Ų | 61 | 104.6 Ų | 104.6 | 50% | 0.504 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.5 | 138.6 | 169 | 0 | 0 | 0 | 0 | 0 | 107.2 | I10 R11 | A2-I10 HydrophobicContact CB-CG2 3.76Å; A2-R11 WeakPolarHBondContact CA-O 2.93Å |
| 3 | Y | 60.4 | Low | 63.8 | Low | 99 Ų | 99 | 99.2 Ų | 99.2 | 39% | 0.388 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 148.3 | 172.1 | 65.8 | -83.6 | 0 | 0 | 0 | 109.3 | T5 R11 | Y3-T5 HydrophobicContact CE2-CG2 4.07Å; Y3-R11 WeakPolarHBondContact CD1-O 3.16Å; Y3-R11 HydrophobicContact CE1-CB 4.19Å; Y3-R11 HydrophobicContact CE2-CB 4.35Å; Y3-R11 PolarHBondContact N-O 3.14Å; Y3-R11 PolarHBondContact O-N 3.17Å |
| 4 | I | 62.3 | Low | 63.6 | Low | 107 Ų | 107 | 105.2 Ų | 105.2 | 55% | 0.549 | 57% | 0.566 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92 | 122 | 179.1 | -57.3 | 173.6 | 0 | 0 | 0 | 106.7 | I10 | I4-I10 HydrophobicContact CG1-CG1 4.46Å |
| 5 | T | 64.1 | Low | 63.3 | Low | 28 Ų | 28 | 104.1 Ų | 104.1 | 17% | 0.172 | 57% | 0.567 | C | S | . | * | trans | -70.8 | 162.7 | 171.8 | 60 | 0 | 0 | 0 | 0 | 110.2 | Y3 S7 G8 E9 R11 | Y3-T5 HydrophobicContact CE2-CG2 4.07Å; T5-S7 PolarHBondContact O-N 3.48Å; T5-S7 PolarHBondContact OG1-OG 3.29Å; T5-G8 PolarHBondContact O-N 2.87Å; T5-E9 HydrophobicContact CG2-CB 4.45Å; T5-E9 PolarHBondContact N-O 3.27Å; T5-E9 WeakPolarHBondContact OG1-CB 3.43Å; T5-E9 PolarHBondContact OG1-N 2.65Å; T5-E9 PolarHBondContact OG1-O 3.22Å; T5-R11 HydrophobicContact CG2-CG 3.97Å | ||
| 6 | S | 66.9 | Low | 63.2 | Low | 143 Ų | 143 | 102.4 Ų | 102.4 | 100% | 1 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -15.1 | 173.2 | 53.4 | 0 | 0 | 0 | 0 | 114 | ||
| 7 | S | 75.9 | Confident | 63.2 | Low | 84 Ų | 84 | 101.7 Ų | 101.7 | 59% | 0.587 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | 1 | 173 | 57.3 | 0 | 0 | 0 | 0 | 114.3 | T5 E9 | T5-S7 PolarHBondContact O-N 3.48Å; T5-S7 PolarHBondContact OG1-OG 3.29Å; S7-E9 VanDerWaalsContact C-N 3.28Å; S7-E9 PolarHBondContact O-N 2.69Å |
| 8 | G | 68.3 | Low | 63.4 | Low | 50 Ų | 50 | 99.6 Ų | 99.6 | 52% | 0.515 | 55% | 0.548 | S | S | . | . | S | Bend | trans | 78 | 7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | T5 I10 | T5-G8 PolarHBondContact O-N 2.87Å; G8-I10 PolarHBondContact O-N 3.4Å |
| 9 | E | 69.5 | Low | 63.9 | Low | 94 Ų | 94 | 99.6 Ų | 99.6 | 44% | 0.439 | 54% | 0.539 | S | S | . | . | trans | -76.2 | 123.3 | 175.3 | -63.1 | -178.4 | 167.1 | 0 | 0 | 109.8 | T5 S7 R11 | T5-E9 HydrophobicContact CG2-CB 4.45Å; T5-E9 PolarHBondContact N-O 3.27Å; T5-E9 WeakPolarHBondContact OG1-CB 3.43Å; T5-E9 PolarHBondContact OG1-N 2.65Å; T5-E9 PolarHBondContact OG1-O 3.22Å; S7-E9 VanDerWaalsContact C-N 3.28Å; S7-E9 PolarHBondContact O-N 2.69Å; E9-R11 HydrophobicContact CB-CG 4.33Å; E9-R11 PolarHBondContact O-N 3.15Å; E9-R11 VanDerWaalsContact O-N 3.17Å; E9-R11 IonicContact OE2-CZ 3.31Å; E9-R11 VanDerWaalsContact OE2-CZ 3.31Å; E9-R11 IonicContact OE2-NE 2.97Å; E9-R11 PolarHBondContact OE2-NE 2.73Å; E9-R11 IonicContact OE2-NH2 2.76Å; E9-R11 PolarHBondContact OE2-NH2 3.39Å | ||
| 10 | I | 68.2 | Low | 64.2 | Low | 129 Ų | 129 | 97.1 Ų | 97.1 | 66% | 0.662 | 53% | 0.525 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75 | 104.4 | 168.8 | -57.8 | 175.6 | 0 | 0 | 0 | 106.7 | A2 I4 G8 | A2-I10 HydrophobicContact CB-CG2 3.76Å; I4-I10 HydrophobicContact CG1-CG1 4.46Å; G8-I10 PolarHBondContact O-N 3.4Å |
| 11 | R | 62.9 | Low | 64.6 | Low | 130 Ų | 130 | 97.3 Ų | 97.3 | 49% | 0.491 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 126.2 | 173.1 | -68 | -169.3 | 176.3 | -139.7 | -1.9 | 109.1 | A2 Y3 T5 E9 S13 | A2-R11 WeakPolarHBondContact CA-O 2.93Å; Y3-R11 WeakPolarHBondContact CD1-O 3.16Å; Y3-R11 HydrophobicContact CE1-CB 4.19Å; Y3-R11 HydrophobicContact CE2-CB 4.35Å; Y3-R11 PolarHBondContact N-O 3.14Å; Y3-R11 PolarHBondContact O-N 3.17Å; T5-R11 HydrophobicContact CG2-CG 3.97Å; E9-R11 HydrophobicContact CB-CG 4.33Å; E9-R11 PolarHBondContact O-N 3.15Å; E9-R11 VanDerWaalsContact O-N 3.17Å; E9-R11 IonicContact OE2-CZ 3.31Å; E9-R11 VanDerWaalsContact OE2-CZ 3.31Å; E9-R11 IonicContact OE2-NE 2.97Å; E9-R11 PolarHBondContact OE2-NE 2.73Å; E9-R11 IonicContact OE2-NH2 2.76Å; E9-R11 PolarHBondContact OE2-NH2 3.39Å; R11-S13 PolarHBondContact O-N 3.25Å |
| 12 | E | 61.8 | Low | 65.9 | Low | 172 Ų | 172 | 94.8 Ų | 94.8 | 80% | 0.804 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 114.6 | 169.4 | -66.7 | -175.8 | 166.9 | 0 | 0 | 108.2 | K14 | E12-K14 PolarHBondContact O-N 2.86Å |
| 13 | S | 60.9 | Low | 66.8 | Low | 34 Ų | 34 | 95.1 Ų | 95.1 | 24% | 0.238 | 51% | 0.508 | C | S | . | . | trans | -66.2 | 111.3 | 164.1 | 74.9 | 0 | 0 | 0 | 0 | 105.7 | M1 R11 | M1-S13 WeakPolarHBondContact CB-OG 3.03Å; M1-S13 WeakPolarHBondContact O-CB 3.06Å; M1-S13 PolarHBondContact O-N 3.44Å; M1-S13 PolarHBondContact O-OG 3.38Å; R11-S13 PolarHBondContact O-N 3.25Å | ||
| 14 | K | 60.7 | Low | 67.6 | Low | 184 Ų | 184 | 94.6 Ų | 94.6 | 80% | 0.8 | 51% | 0.512 | S | S | * | . | trans | -48.9 | 130.8 | 165.1 | -69.9 | -178.9 | 179.4 | 179.1 | 0 | 107 | E12 L16 | E12-K14 PolarHBondContact O-N 2.86Å; K14-L16 PolarHBondContact O-N 2.95Å; K14-L16 VanDerWaalsContact O-N 3.12Å | ||
| 15 | P | 59.7 | Low | 68.4 | Low | 88 Ų | 88 | 94 Ų | 94 | 57% | 0.571 | 51% | 0.509 | S | S | * | . | trans | -55.3 | 126.9 | 178.8 | 23.9 | -32.5 | 0 | 0 | 0 | 107.4 | V17 P18 | P15-V17 PolarHBondContact O-N 3.48Å; P15-P18 HydrophobicContact CB-CG 4.43Å; P15-P18 HydrophobicContact CG-CG 3.98Å; P15-P18 WeakPolarHBondContact O-CD 3.31Å | ||
| 16 | L | 60.6 | Low | 69.1 | Low | 77 Ų | 77 | 95.2 Ų | 95.2 | 40% | 0.403 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -69.4 | -7 | 175.5 | -72.5 | 162.2 | 0 | 0 | 0 | 111.4 | K14 W19 V77 F81 | K14-L16 PolarHBondContact O-N 2.95Å; K14-L16 VanDerWaalsContact O-N 3.12Å; L16-W19 VanDerWaalsContact C-CD1 3.49Å; L16-W19 VanDerWaalsContact CA-NE1 3.25Å; L16-W19 HydrophobicContact CD2-CZ2 4.2Å; L16-W19 PolarHBondContact O-NE1 3.43Å; L16-V77 HydrophobicContact CD1-CG1 4.43Å; L16-F81 HydrophobicContact CD1-CD2 3.81Å; L16-F81 HydrophobicContact CD1-CE2 4.33Å |
| 17 | V | 62.9 | Low | 69.7 | Low | 91 Ų | 91 | 89.8 Ų | 89.8 | 55% | 0.552 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -75.2 | -42.4 | -171 | -173.5 | 0 | 0 | 0 | 0 | 113.4 | P15 L20 L21 | P15-V17 PolarHBondContact O-N 3.48Å; V17-L20 PolarHBondContact O-N 3.22Å; V17-L21 HydrophobicContact CG1-CD1 4.04Å; V17-L21 HydrophobicContact CG1-CG 4.38Å; V17-L21 WeakPolarHBondContact O-CG 3.48Å; V17-L21 PolarHBondContact O-N 2.93Å |
| 18 | P | 67.8 | Low | 69.7 | Low | 63 Ų | 63 | 93 Ų | 93 | 41% | 0.409 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.1 | -45.3 | -177.1 | -23.5 | 36.5 | 0 | 0 | 0 | 112.8 | P15 L20 L21 D22 | P15-P18 HydrophobicContact CB-CG 4.43Å; P15-P18 HydrophobicContact CG-CG 3.98Å; P15-P18 WeakPolarHBondContact O-CD 3.31Å; P18-L20 VanDerWaalsContact C-N 3.25Å; P18-L20 PolarHBondContact O-N 2.73Å; P18-L21 PolarHBondContact O-N 3.4Å; P18-D22 VanDerWaalsContact O-CG 3.23Å; P18-D22 PolarHBondContact O-N 3.25Å |
| 19 | W | 72.4 | Confident | 70.2 | Confident | 100 Ų | 100 | 95.7 Ų | 95.7 | 38% | 0.379 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.1 | -31.5 | 179.9 | 73.4 | -98 | 0 | 0 | 0 | 112.3 | L16 D22 L23 V77 | L16-W19 VanDerWaalsContact C-CD1 3.49Å; L16-W19 VanDerWaalsContact CA-NE1 3.25Å; L16-W19 HydrophobicContact CD2-CZ2 4.2Å; L16-W19 PolarHBondContact O-NE1 3.43Å; W19-D22 PolarHBondContact O-N 2.97Å; W19-L23 HydrophobicContact CZ3-CD2 4.13Å; W19-L23 WeakPolarHBondContact O-CB 3.38Å; W19-L23 PolarHBondContact O-N 2.84Å; W19-V77 HydrophobicContact CH2-CG2 3.94Å; W19-V77 HydrophobicContact CZ2-CG1 4.47Å; W19-V77 HydrophobicContact CZ2-CG2 4.13Å |
| 20 | L | 70.5 | Confident | 70.7 | Confident | 49 Ų | 49 | 97.4 Ų | 97.4 | 26% | 0.257 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69.8 | -40 | 176.5 | -178.8 | 68.6 | 0 | 0 | 0 | 111.2 | V17 P18 L23 L24 L74 | V17-L20 PolarHBondContact O-N 3.22Å; P18-L20 VanDerWaalsContact C-N 3.25Å; P18-L20 PolarHBondContact O-N 2.73Å; L20-L23 PolarHBondContact O-N 3.33Å; L20-L24 WeakPolarHBondContact O-CB 3.44Å; L20-L24 PolarHBondContact O-N 3.34Å; L20-L74 HydrophobicContact CD1-CD2 3.53Å; L20-L74 HydrophobicContact CD1-CG 4.36Å; L20-L74 HydrophobicContact CD2-CD2 3.51Å; L20-L74 HydrophobicContact CG-CD2 4.09Å |
| 21 | L | 71.3 | Confident | 71 | Confident | 102 Ų | 102 | 93 Ų | 93 | 53% | 0.534 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.8 | -42.7 | 173 | -72.6 | 172.7 | 0 | 0 | 0 | 111.3 | V17 P18 L23 L24 L25 | V17-L21 HydrophobicContact CG1-CD1 4.04Å; V17-L21 HydrophobicContact CG1-CG 4.38Å; V17-L21 WeakPolarHBondContact O-CG 3.48Å; V17-L21 PolarHBondContact O-N 2.93Å; P18-L21 PolarHBondContact O-N 3.4Å; L21-L23 VanDerWaalsContact C-N 3.31Å; L21-L23 PolarHBondContact O-N 2.91Å; L21-L24 PolarHBondContact O-N 3.39Å; L21-L25 VanDerWaalsContact O-CB 3.31Å; L21-L25 WeakPolarHBondContact O-CB 3.4Å; L21-L25 PolarHBondContact O-N 2.87Å |
| 22 | D | 78.1 | Confident | 71.6 | Confident | 106 Ų | 106 | 92.7 Ų | 92.7 | 57% | 0.567 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -60.9 | -41.8 | 175.4 | -66.8 | -25.9 | 0 | 0 | 0 | 111.1 | P18 W19 L25 A26 | P18-D22 VanDerWaalsContact O-CG 3.23Å; P18-D22 PolarHBondContact O-N 3.25Å; W19-D22 PolarHBondContact O-N 2.97Å; D22-L25 PolarHBondContact O-N 3.47Å; D22-A26 WeakPolarHBondContact O-CB 3.36Å; D22-A26 PolarHBondContact O-N 2.63Å |
| 23 | L | 77.1 | Confident | 72.4 | Confident | 68 Ų | 68 | 89.4 Ų | 89.4 | 36% | 0.356 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.9 | -44.5 | 175.3 | -176.2 | 70.6 | 0 | 0 | 0 | 111.6 | W19 L20 L21 L25 A26 V27 L70 | W19-L23 HydrophobicContact CZ3-CD2 4.13Å; W19-L23 WeakPolarHBondContact O-CB 3.38Å; W19-L23 PolarHBondContact O-N 2.84Å; L20-L23 PolarHBondContact O-N 3.33Å; L21-L23 VanDerWaalsContact C-N 3.31Å; L21-L23 PolarHBondContact O-N 2.91Å; L23-L25 VanDerWaalsContact C-N 3.33Å; L23-A26 PolarHBondContact O-N 3.38Å; L23-V27 WeakPolarHBondContact O-CB 3.4Å; L23-V27 WeakPolarHBondContact O-CG2 3.29Å; L23-V27 PolarHBondContact O-N 3.32Å; L23-L70 HydrophobicContact CD2-CD1 3.98Å |
| 24 | L | 76.8 | Confident | 73 | Confident | 88 Ų | 88 | 91.3 Ų | 91.3 | 46% | 0.461 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.1 | -40.2 | 177.9 | -173.8 | 71 | 0 | 0 | 0 | 111.3 | L20 L21 V27 Y28 L70 | L20-L24 WeakPolarHBondContact O-CB 3.44Å; L20-L24 PolarHBondContact O-N 3.34Å; L21-L24 PolarHBondContact O-N 3.39Å; L24-V27 PolarHBondContact O-N 2.91Å; L24-Y28 WeakPolarHBondContact O-CB 3.24Å; L24-Y28 PolarHBondContact O-N 2.83Å; L24-L70 HydrophobicContact CD1-CD2 3.57Å |
| 25 | L | 79.4 | Confident | 73.5 | Confident | 94 Ų | 94 | 85.5 Ų | 85.5 | 49% | 0.492 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.1 | -46.1 | 176.4 | -172.9 | 67.3 | 0 | 0 | 0 | 111 | L21 D22 L23 V27 Y28 E29 | L21-L25 VanDerWaalsContact O-CB 3.31Å; L21-L25 WeakPolarHBondContact O-CB 3.4Å; L21-L25 PolarHBondContact O-N 2.87Å; D22-L25 PolarHBondContact O-N 3.47Å; L23-L25 VanDerWaalsContact C-N 3.33Å; L25-V27 VanDerWaalsContact C-N 3.3Å; L25-V27 PolarHBondContact O-N 3.36Å; L25-Y28 WeakPolarHBondContact O-CB 3.45Å; L25-Y28 PolarHBondContact O-N 2.87Å; L25-Y28 VanDerWaalsContact O-N 3.11Å; L25-E29 WeakPolarHBondContact O-CG 3.36Å; L25-E29 PolarHBondContact O-N 2.93Å |
| 26 | A | 79.5 | Confident | 74.1 | Confident | 53 Ų | 53 | 83.4 Ų | 83.4 | 44% | 0.438 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.4 | -39.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D22 L23 F30 | D22-A26 WeakPolarHBondContact O-CB 3.36Å; D22-A26 PolarHBondContact O-N 2.63Å; L23-A26 PolarHBondContact O-N 3.38Å; A26-F30 WeakPolarHBondContact O-CB 3.42Å; A26-F30 PolarHBondContact O-N 3.11Å |
| 27 | V | 79.7 | Confident | 74.6 | Confident | 29 Ų | 29 | 83.6 Ų | 83.6 | 18% | 0.176 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 173 | 158.9 | 0 | 0 | 0 | 0 | 111.2 | L23 L24 L25 F30 L31 L66 | L23-V27 WeakPolarHBondContact O-CB 3.4Å; L23-V27 WeakPolarHBondContact O-CG2 3.29Å; L23-V27 PolarHBondContact O-N 3.32Å; L24-V27 PolarHBondContact O-N 2.91Å; L25-V27 VanDerWaalsContact C-N 3.3Å; L25-V27 PolarHBondContact O-N 3.36Å; V27-F30 PolarHBondContact O-N 3.31Å; V27-L31 HydrophobicContact CG1-CD1 4.05Å; V27-L31 VanDerWaalsContact O-CG 3.32Å; V27-L31 WeakPolarHBondContact O-CG 3.25Å; V27-L31 PolarHBondContact O-N 3.47Å; V27-L66 HydrophobicContact CB-CD2 4.39Å; V27-L66 HydrophobicContact CG1-CD2 3.41Å; V27-L66 VanDerWaalsContact CG1-CD2 3.41Å; V27-L66 HydrophobicContact CG1-CG 4.01Å; V27-L66 HydrophobicContact CG2-CD1 4.3Å; V27-L66 HydrophobicContact CG2-CD2 4.35Å |
| 28 | Y | 76.1 | Confident | 74.8 | Confident | 151 Ų | 151 | 80.9 Ų | 80.9 | 59% | 0.592 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -64.7 | -44.6 | 178.9 | -177 | -94.1 | 0 | 0 | 0 | 112.3 | L24 L25 F30 L31 F32 | L24-Y28 WeakPolarHBondContact O-CB 3.24Å; L24-Y28 PolarHBondContact O-N 2.83Å; L25-Y28 WeakPolarHBondContact O-CB 3.45Å; L25-Y28 PolarHBondContact O-N 2.87Å; L25-Y28 VanDerWaalsContact O-N 3.11Å; Y28-F30 VanDerWaalsContact C-N 3.34Å; Y28-F30 PolarHBondContact O-N 2.87Å; Y28-L31 PolarHBondContact O-N 3.28Å; Y28-F32 WeakPolarHBondContact O-CB 3.48Å; Y28-F32 PolarHBondContact O-N 3Å |
| 29 | E | 77.4 | Confident | 74.8 | Confident | 108 Ų | 108 | 84.8 Ų | 84.8 | 51% | 0.505 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.6 | -43.2 | 175.8 | -75.2 | -173.9 | 171 | 0 | 0 | 111.6 | L25 F32 L33 | L25-E29 WeakPolarHBondContact O-CG 3.36Å; L25-E29 PolarHBondContact O-N 2.93Å; E29-F32 PolarHBondContact O-N 3.47Å; E29-L33 WeakPolarHBondContact O-CB 3.39Å; E29-L33 VanDerWaalsContact O-CG 3.31Å; E29-L33 WeakPolarHBondContact O-CG 3.45Å; E29-L33 PolarHBondContact O-N 3Å |
| 30 | F | 80.5 | Confident | 74.6 | Confident | 130 Ų | 130 | 89.4 Ų | 89.4 | 57% | 0.57 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -60.3 | -47 | 175.6 | 177.3 | -96.3 | 0 | 0 | 0 | 111.7 | A26 V27 Y28 F32 L33 F34 | A26-F30 WeakPolarHBondContact O-CB 3.42Å; A26-F30 PolarHBondContact O-N 3.11Å; V27-F30 PolarHBondContact O-N 3.31Å; Y28-F30 VanDerWaalsContact C-N 3.34Å; Y28-F30 PolarHBondContact O-N 2.87Å; F30-F32 VanDerWaalsContact C-N 3.34Å; F30-F32 PolarHBondContact O-N 3.42Å; F30-L33 PolarHBondContact O-N 2.93Å; F30-F34 WeakPolarHBondContact O-CB 3.31Å; F30-F34 PolarHBondContact O-N 2.84Å |
| 31 | L | 75.6 | Confident | 74.3 | Confident | 37 Ų | 37 | 93.3 Ų | 93.3 | 19% | 0.194 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -61 | -43.8 | 176.7 | -73.4 | 167.9 | 0 | 0 | 0 | 111.6 | V27 Y28 F34 V35 L63 L66 | V27-L31 HydrophobicContact CG1-CD1 4.05Å; V27-L31 VanDerWaalsContact O-CG 3.32Å; V27-L31 WeakPolarHBondContact O-CG 3.25Å; V27-L31 PolarHBondContact O-N 3.47Å; Y28-L31 PolarHBondContact O-N 3.28Å; L31-F34 PolarHBondContact O-N 2.83Å; L31-V35 WeakPolarHBondContact O-CB 3.32Å; L31-V35 VanDerWaalsContact O-CG2 3.23Å; L31-V35 WeakPolarHBondContact O-CG2 3.28Å; L31-V35 PolarHBondContact O-N 3.32Å; L31-L63 HydrophobicContact CD1-CD1 3.36Å; L31-L63 HydrophobicContact CD2-CB 4.46Å; L31-L63 HydrophobicContact CD2-CD1 3.64Å; L31-L63 HydrophobicContact CG-CD1 4.13Å; L31-L66 HydrophobicContact CD1-CD2 4.16Å; L31-L66 HydrophobicContact CD2-CD2 4.21Å; L31-L66 HydrophobicContact CG-CD2 4.16Å |
| 32 | F | 75.8 | Confident | 73.9 | Confident | 122 Ų | 122 | 91.2 Ų | 91.2 | 54% | 0.535 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.5 | -46.5 | 178.4 | -176.7 | -95 | 0 | 0 | 0 | 111.9 | Y28 E29 F30 T36 | Y28-F32 WeakPolarHBondContact O-CB 3.48Å; Y28-F32 PolarHBondContact O-N 3Å; E29-F32 PolarHBondContact O-N 3.47Å; F30-F32 VanDerWaalsContact C-N 3.34Å; F30-F32 PolarHBondContact O-N 3.42Å; F32-T36 VanDerWaalsContact O-CB 3.29Å; F32-T36 WeakPolarHBondContact O-CB 3.2Å; F32-T36 PolarHBondContact O-N 3.36Å; F32-T36 PolarHBondContact O-OG1 3.12Å |
| 33 | L | 77.6 | Confident | 72.9 | Confident | 103 Ų | 103 | 91 Ų | 91 | 54% | 0.539 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.6 | -40.1 | 176.6 | -73.1 | 173.1 | 0 | 0 | 0 | 111.8 | E29 F30 N37 | E29-L33 WeakPolarHBondContact O-CB 3.39Å; E29-L33 VanDerWaalsContact O-CG 3.31Å; E29-L33 WeakPolarHBondContact O-CG 3.45Å; E29-L33 PolarHBondContact O-N 3Å; F30-L33 PolarHBondContact O-N 2.93Å; L33-N37 WeakPolarHBondContact O-CB 3.49Å; L33-N37 PolarHBondContact O-N 3.35Å; L33-N37 PolarHBondContact O-ND2 3.35Å |
| 34 | F | 74.6 | Confident | 72 | Confident | 75 Ų | 75 | 91.1 Ų | 91.1 | 33% | 0.329 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.5 | -53.4 | 178.2 | -177.8 | -104.7 | 0 | 0 | 0 | 110.8 | F30 L31 T36 N37 L38 A59 | F30-F34 WeakPolarHBondContact O-CB 3.31Å; F30-F34 PolarHBondContact O-N 2.84Å; L31-F34 PolarHBondContact O-N 2.83Å; F34-T36 VanDerWaalsContact C-N 3.34Å; F34-T36 PolarHBondContact O-N 2.85Å; F34-N37 PolarHBondContact O-N 3.48Å; F34-L38 HydrophobicContact CD1-CD1 3.77Å; F34-L38 HydrophobicContact CD1-CG 4.43Å; F34-L38 HydrophobicContact CE1-CD1 3.35Å; F34-L38 HydrophobicContact CE1-CG 4.19Å; F34-L38 HydrophobicContact CZ-CD1 3.79Å; F34-L38 HydrophobicContact CZ-CD2 4.38Å; F34-L38 HydrophobicContact CZ-CG 4.28Å; F34-L38 WeakPolarHBondContact O-CG 3.28Å; F34-L38 PolarHBondContact O-N 2.91Å; F34-A59 HydrophobicContact CD1-CB 4.41Å; F34-A59 HydrophobicContact CE1-CB 3.72Å |
| 35 | V | 71.1 | Confident | 71.1 | Confident | 62 Ų | 62 | 97.1 Ų | 97.1 | 38% | 0.376 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.5 | -44.1 | 177.9 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | L31 N37 L38 F39 | L31-V35 WeakPolarHBondContact O-CB 3.32Å; L31-V35 VanDerWaalsContact O-CG2 3.23Å; L31-V35 WeakPolarHBondContact O-CG2 3.28Å; L31-V35 PolarHBondContact O-N 3.32Å; V35-N37 PolarHBondContact O-N 2.9Å; V35-L38 PolarHBondContact O-N 3.46Å; V35-F39 HydrophobicContact CG1-CD2 3.75Å; V35-F39 HydrophobicContact CG1-CE2 3.41Å; V35-F39 VanDerWaalsContact CG1-CE2 3.41Å; V35-F39 WeakPolarHBondContact O-CD2 3.35Å; V35-F39 PolarHBondContact O-N 3.49Å; V35-F39 VanDerWaalsContact O-N 3.14Å |
| 36 | T | 71.3 | Confident | 70.2 | Confident | 44 Ų | 44 | 96.6 Ų | 96.6 | 27% | 0.27 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.9 | -40.3 | 178.4 | -57.3 | 0 | 0 | 0 | 0 | 112.2 | F32 F34 R40 | F32-T36 VanDerWaalsContact O-CB 3.29Å; F32-T36 WeakPolarHBondContact O-CB 3.2Å; F32-T36 PolarHBondContact O-N 3.36Å; F32-T36 PolarHBondContact O-OG1 3.12Å; F34-T36 VanDerWaalsContact C-N 3.34Å; F34-T36 PolarHBondContact O-N 2.85Å; T36-R40 PolarHBondContact O-N 2.89Å |
| 37 | N | 71 | Confident | 69.2 | Low | 80 Ų | 80 | 102.5 Ų | 102.5 | 43% | 0.428 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68 | -38.4 | 176.3 | -81.8 | -58.1 | 0 | 0 | 0 | 112 | L33 F34 V35 F39 R40 L41 | L33-N37 WeakPolarHBondContact O-CB 3.49Å; L33-N37 PolarHBondContact O-N 3.35Å; L33-N37 PolarHBondContact O-ND2 3.35Å; F34-N37 PolarHBondContact O-N 3.48Å; V35-N37 PolarHBondContact O-N 2.9Å; N37-F39 PolarHBondContact O-N 3.42Å; N37-R40 PolarHBondContact O-N 2.86Å; N37-L41 WeakPolarHBondContact O-CD1 3.23Å; N37-L41 PolarHBondContact O-N 2.86Å; N37-L41 VanDerWaalsContact O-N 3.15Å |
| 38 | L | 67.8 | Low | 68.5 | Low | 34 Ų | 34 | 103.2 Ų | 103.2 | 18% | 0.178 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -60 | -45.3 | 176.8 | -73 | 178.1 | 0 | 0 | 0 | 112.3 | F34 V35 R40 L41 V55 A59 | F34-L38 HydrophobicContact CD1-CD1 3.77Å; F34-L38 HydrophobicContact CD1-CG 4.43Å; F34-L38 HydrophobicContact CE1-CD1 3.35Å; F34-L38 HydrophobicContact CE1-CG 4.19Å; F34-L38 HydrophobicContact CZ-CD1 3.79Å; F34-L38 HydrophobicContact CZ-CD2 4.38Å; F34-L38 HydrophobicContact CZ-CG 4.28Å; F34-L38 WeakPolarHBondContact O-CG 3.28Å; F34-L38 PolarHBondContact O-N 2.91Å; V35-L38 PolarHBondContact O-N 3.46Å; L38-R40 VanDerWaalsContact C-N 3.3Å; L38-R40 PolarHBondContact O-N 3.5Å; L38-L41 PolarHBondContact O-N 2.82Å; L38-L41 VanDerWaalsContact O-N 3.17Å; L38-V55 HydrophobicContact CB-CG1 4.02Å; L38-V55 HydrophobicContact CD1-CG1 3.51Å; L38-V55 HydrophobicContact CD2-CG1 3.34Å; L38-V55 HydrophobicContact CG-CG1 3.78Å; L38-A59 HydrophobicContact CD1-CB 4.1Å |
| 39 | F | 68.2 | Low | 68.1 | Low | 146 Ų | 146 | 100.9 Ų | 100.9 | 64% | 0.64 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67 | -29.8 | 177.6 | -74.5 | -64.9 | 0 | 0 | 0 | 113.3 | V35 N37 L41 | V35-F39 HydrophobicContact CG1-CD2 3.75Å; V35-F39 HydrophobicContact CG1-CE2 3.41Å; V35-F39 VanDerWaalsContact CG1-CE2 3.41Å; V35-F39 WeakPolarHBondContact O-CD2 3.35Å; V35-F39 PolarHBondContact O-N 3.49Å; V35-F39 VanDerWaalsContact O-N 3.14Å; N37-F39 PolarHBondContact O-N 3.42Å; F39-L41 VanDerWaalsContact C-N 3.3Å |
| 40 | R | 67.9 | Low | 67.8 | Low | 197 Ų | 197 | 101.2 Ų | 101.2 | 74% | 0.743 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -71.1 | -25.3 | 173.8 | -76.4 | -176.9 | 177.8 | 161 | 0.4 | 113.4 | T36 N37 L38 | T36-R40 PolarHBondContact O-N 2.89Å; N37-R40 PolarHBondContact O-N 2.86Å; L38-R40 VanDerWaalsContact C-N 3.3Å; L38-R40 PolarHBondContact O-N 3.5Å |
| 41 | L | 63.1 | Low | 67.3 | Low | 130 Ų | 130 | 97.5 Ų | 97.5 | 68% | 0.681 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | 4 | -174.6 | -84.2 | 157.6 | 0 | 0 | 0 | 114.5 | N37 L38 F39 P43 | N37-L41 WeakPolarHBondContact O-CD1 3.23Å; N37-L41 PolarHBondContact O-N 2.86Å; N37-L41 VanDerWaalsContact O-N 3.15Å; L38-L41 PolarHBondContact O-N 2.82Å; L38-L41 VanDerWaalsContact O-N 3.17Å; F39-L41 VanDerWaalsContact C-N 3.3Å; L41-P43 WeakPolarHBondContact O-CD 3.43Å |
| 42 | L | 63.2 | Low | 67 | Low | 58 Ų | 58 | 96.9 Ų | 96.9 | 30% | 0.304 | 53% | 0.528 | S | S | . | . | trans | -103.5 | 83.2 | 179.9 | -80.4 | 154.5 | 0 | 0 | 0 | 111.6 | G44 D48 A52 | L42-G44 PolarHBondContact O-N 3.45Å; L42-D48 HydrophobicContact CD2-CB 4.46Å; L42-A52 HydrophobicContact CD1-CB 3.99Å; L42-A52 HydrophobicContact CD2-CB 3.69Å | ||
| 43 | P | 56.5 | Low | 66.9 | Low | 103 Ų | 103 | 95.2 Ų | 95.2 | 67% | 0.669 | 53% | 0.528 | S | S | * | . | trans | -82.9 | 112.9 | 175.2 | 31.8 | -33.1 | 0 | 0 | 0 | 112.1 | L41 R45 D48 | L41-P43 WeakPolarHBondContact O-CD 3.43Å; P43-R45 PolarHBondContact O-N 3.24Å; P43-D48 VanDerWaalsContact C-OD2 3.29Å | ||
| 44 | G | 59.6 | Low | 66.9 | Low | 70 Ų | 70 | 93.1 Ų | 93.1 | 72% | 0.722 | 53% | 0.525 | S | S | * | . | trans | -43.3 | 110.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 118 | L42 D48 | L42-G44 PolarHBondContact O-N 3.45Å; G44-D48 VanDerWaalsContact C-OD2 3.26Å; G44-D48 WeakPolarHBondContact CA-OD2 3.49Å; G44-D48 PolarHBondContact N-OD2 3.18Å | ||
| 45 | R | 57.3 | Low | 66.9 | Low | 214 Ų | 214 | 91.8 Ų | 91.8 | 81% | 0.808 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -149.7 | 136.6 | 146.1 | -67.9 | -160.5 | 172.2 | 169.4 | -0.8 | 108.5 | P43 Q47 D48 | P43-R45 PolarHBondContact O-N 3.24Å; R45-Q47 PolarHBondContact O-N 3.4Å; R45-D48 PolarHBondContact N-OD2 3.02Å; R45-D48 WeakPolarHBondContact O-CB 3.44Å; R45-D48 PolarHBondContact O-N 2.89Å; R45-D48 VanDerWaalsContact O-OD2 3.1Å |
| 46 | G | 60.8 | Low | 67 | Low | 83 Ų | 83 | 92.1 Ų | 92.1 | 86% | 0.856 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 7.6 | -167.8 | 0 | 0 | 0 | 0 | 0 | 121 | ||
| 47 | Q | 58.1 | Low | 67.4 | Low | 177 Ų | 177 | 94.1 Ų | 94.1 | 83% | 0.827 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -10.5 | 159.4 | -71.8 | -175.3 | -32.9 | 0 | 0 | 113 | R45 V49 | R45-Q47 PolarHBondContact O-N 3.4Å; Q47-V49 VanDerWaalsContact C-N 3.25Å; Q47-V49 PolarHBondContact O-N 2.97Å |
| 48 | D | 64.8 | Low | 67.7 | Low | 44 Ų | 44 | 93 Ų | 93 | 24% | 0.235 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -68.3 | -18.8 | -176.1 | -67.3 | -20.3 | 0 | 0 | 0 | 114.4 | L42 P43 G44 R45 V50 A51 A52 | L42-D48 HydrophobicContact CD2-CB 4.46Å; P43-D48 VanDerWaalsContact C-OD2 3.29Å; G44-D48 VanDerWaalsContact C-OD2 3.26Å; G44-D48 WeakPolarHBondContact CA-OD2 3.49Å; G44-D48 PolarHBondContact N-OD2 3.18Å; R45-D48 PolarHBondContact N-OD2 3.02Å; R45-D48 WeakPolarHBondContact O-CB 3.44Å; R45-D48 PolarHBondContact O-N 2.89Å; R45-D48 VanDerWaalsContact O-OD2 3.1Å; D48-V50 VanDerWaalsContact C-N 3.32Å; D48-V50 PolarHBondContact O-N 3.41Å; D48-A51 PolarHBondContact O-N 3.42Å; D48-A52 WeakPolarHBondContact O-CA 3.34Å; D48-A52 WeakPolarHBondContact O-CB 3.35Å; D48-A52 PolarHBondContact O-N 2.92Å |
| 49 | V | 68.4 | Low | 68 | Low | 102 Ų | 102 | 92.2 Ų | 92.2 | 62% | 0.618 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.6 | -41 | -177.9 | -176.6 | 0 | 0 | 0 | 0 | 110.3 | Q47 T53 | Q47-V49 VanDerWaalsContact C-N 3.25Å; Q47-V49 PolarHBondContact O-N 2.97Å; V49-T53 VanDerWaalsContact O-CB 3.28Å; V49-T53 WeakPolarHBondContact O-CB 3.33Å; V49-T53 PolarHBondContact O-N 2.9Å; V49-T53 PolarHBondContact O-OG1 3.45Å |
| 50 | V | 71.4 | Confident | 68.3 | Low | 115 Ų | 115 | 90.8 Ų | 90.8 | 70% | 0.697 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -69.2 | -43.2 | 178.4 | -178.2 | 0 | 0 | 0 | 0 | 110.6 | D48 T53 A54 | D48-V50 VanDerWaalsContact C-N 3.32Å; D48-V50 PolarHBondContact O-N 3.41Å; V50-T53 PolarHBondContact O-N 3.37Å; V50-A54 WeakPolarHBondContact O-CB 3.49Å; V50-A54 PolarHBondContact O-N 2.91Å |
| 51 | A | 69.7 | Low | 68.8 | Low | 51 Ų | 51 | 87.5 Ų | 87.5 | 42% | 0.421 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.6 | -44.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | D48 T53 A54 V55 | D48-A51 PolarHBondContact O-N 3.42Å; A51-T53 VanDerWaalsContact C-N 3.34Å; A51-T53 PolarHBondContact O-N 2.91Å; A51-A54 PolarHBondContact O-N 3.41Å; A51-V55 WeakPolarHBondContact O-CB 3.36Å; A51-V55 VanDerWaalsContact O-CG2 3.25Å; A51-V55 WeakPolarHBondContact O-CG2 3.35Å; A51-V55 PolarHBondContact O-N 2.9Å |
| 52 | A | 69.5 | Low | 69.4 | Low | 25 Ų | 25 | 83.9 Ų | 83.9 | 21% | 0.207 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L42 D48 V55 V56 | L42-A52 HydrophobicContact CD1-CB 3.99Å; L42-A52 HydrophobicContact CD2-CB 3.69Å; D48-A52 WeakPolarHBondContact O-CA 3.34Å; D48-A52 WeakPolarHBondContact O-CB 3.35Å; D48-A52 PolarHBondContact O-N 2.92Å; A52-V55 PolarHBondContact O-N 3.32Å; A52-V56 WeakPolarHBondContact O-CB 3.46Å; A52-V56 VanDerWaalsContact O-CG2 3.24Å; A52-V56 WeakPolarHBondContact O-CG2 3.32Å; A52-V56 PolarHBondContact O-N 2.95Å |
| 53 | T | 72.7 | Confident | 70 | Confident | 87 Ų | 87 | 84.6 Ų | 84.6 | 53% | 0.534 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.9 | -43 | 178.9 | -54.7 | 0 | 0 | 0 | 0 | 111.1 | V49 V50 A51 V55 V56 L57 | V49-T53 VanDerWaalsContact O-CB 3.28Å; V49-T53 WeakPolarHBondContact O-CB 3.33Å; V49-T53 PolarHBondContact O-N 2.9Å; V49-T53 PolarHBondContact O-OG1 3.45Å; V50-T53 PolarHBondContact O-N 3.37Å; A51-T53 VanDerWaalsContact C-N 3.34Å; A51-T53 PolarHBondContact O-N 2.91Å; T53-V55 VanDerWaalsContact C-N 3.32Å; T53-V55 PolarHBondContact O-N 2.86Å; T53-V56 PolarHBondContact O-N 2.82Å; T53-L57 WeakPolarHBondContact O-CB 3.32Å; T53-L57 PolarHBondContact O-N 3.31Å |
| 54 | A | 77.6 | Confident | 70.9 | Confident | 59 Ų | 59 | 83 Ų | 83 | 49% | 0.488 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.9 | -40.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V50 A51 L57 A58 | V50-A54 WeakPolarHBondContact O-CB 3.49Å; V50-A54 PolarHBondContact O-N 2.91Å; A51-A54 PolarHBondContact O-N 3.41Å; A54-L57 PolarHBondContact O-N 3.48Å; A54-A58 WeakPolarHBondContact O-CB 3.37Å; A54-A58 PolarHBondContact O-N 3.3Å |
| 55 | V | 74.3 | Confident | 71.7 | Confident | 47 Ų | 47 | 81.8 Ų | 81.8 | 29% | 0.285 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.2 | -45.2 | 175 | 161.7 | 0 | 0 | 0 | 0 | 111.7 | L38 A51 A52 T53 A58 A59 | L38-V55 HydrophobicContact CB-CG1 4.02Å; L38-V55 HydrophobicContact CD1-CG1 3.51Å; L38-V55 HydrophobicContact CD2-CG1 3.34Å; L38-V55 HydrophobicContact CG-CG1 3.78Å; A51-V55 WeakPolarHBondContact O-CB 3.36Å; A51-V55 VanDerWaalsContact O-CG2 3.25Å; A51-V55 WeakPolarHBondContact O-CG2 3.35Å; A51-V55 PolarHBondContact O-N 2.9Å; A52-V55 PolarHBondContact O-N 3.32Å; T53-V55 VanDerWaalsContact C-N 3.32Å; T53-V55 PolarHBondContact O-N 2.86Å; V55-A58 PolarHBondContact O-N 2.86Å; V55-A59 WeakPolarHBondContact O-CB 3.05Å; V55-A59 PolarHBondContact O-N 3.37Å |
| 56 | V | 74.7 | Confident | 72.7 | Confident | 68 Ų | 68 | 74.5 Ų | 74.5 | 41% | 0.412 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63 | -45.5 | 176.7 | 169.8 | 0 | 0 | 0 | 0 | 110.4 | A52 T53 A58 A59 E60 | A52-V56 WeakPolarHBondContact O-CB 3.46Å; A52-V56 VanDerWaalsContact O-CG2 3.24Å; A52-V56 WeakPolarHBondContact O-CG2 3.32Å; A52-V56 PolarHBondContact O-N 2.95Å; T53-V56 PolarHBondContact O-N 2.82Å; V56-A58 VanDerWaalsContact C-N 3.34Å; V56-A58 PolarHBondContact O-N 2.9Å; V56-A59 CarbonylContact O-C 3.59Å; V56-A59 WeakPolarHBondContact O-CA 3.36Å; V56-A59 WeakPolarHBondContact O-CB 3.46Å; V56-A59 PolarHBondContact O-N 3.34Å; V56-A59 VanDerWaalsContact O-N 3.12Å; V56-E60 HydrophobicContact CG1-CG 4.48Å; V56-E60 WeakPolarHBondContact O-CG 3.37Å; V56-E60 PolarHBondContact O-N 3.46Å |
| 57 | L | 78.5 | Confident | 73.4 | Confident | 87 Ų | 87 | 73.6 Ų | 73.6 | 46% | 0.455 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.7 | -41.7 | 177 | -171.7 | 71.6 | 0 | 0 | 0 | 111.7 | T53 A54 A59 E60 M61 | T53-L57 WeakPolarHBondContact O-CB 3.32Å; T53-L57 PolarHBondContact O-N 3.31Å; A54-L57 PolarHBondContact O-N 3.48Å; L57-A59 VanDerWaalsContact C-N 3.32Å; L57-A59 PolarHBondContact O-N 2.87Å; L57-E60 PolarHBondContact O-N 2.86Å; L57-M61 HydrophobicContact CD1-CE 4.42Å; L57-M61 HydrophobicContact CD2-CE 4.18Å; L57-M61 HydrophobicContact CG-CE 4.1Å; L57-M61 WeakPolarHBondContact O-CB 3.31Å; L57-M61 WeakPolarHBondContact O-CG 3.45Å; L57-M61 PolarHBondContact O-N 2.83Å |
| 58 | A | 77.3 | Confident | 74.4 | Confident | 56 Ų | 56 | 69.1 Ų | 69.1 | 46% | 0.463 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.2 | -38.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A54 V55 V56 M61 A62 | A54-A58 WeakPolarHBondContact O-CB 3.37Å; A54-A58 PolarHBondContact O-N 3.3Å; V55-A58 PolarHBondContact O-N 2.86Å; V56-A58 VanDerWaalsContact C-N 3.34Å; V56-A58 PolarHBondContact O-N 2.9Å; A58-M61 PolarHBondContact O-N 3.37Å; A58-A62 VanDerWaalsContact O-CB 3.32Å; A58-A62 WeakPolarHBondContact O-CB 3.32Å; A58-A62 PolarHBondContact O-N 3.06Å |
| 59 | A | 73.6 | Confident | 75 | Confident | 18 Ų | 18 | 68.9 Ų | 68.9 | 15% | 0.149 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -64.8 | -43 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F34 L38 V55 V56 L57 A62 L63 | F34-A59 HydrophobicContact CD1-CB 4.41Å; F34-A59 HydrophobicContact CE1-CB 3.72Å; L38-A59 HydrophobicContact CD1-CB 4.1Å; V55-A59 WeakPolarHBondContact O-CB 3.05Å; V55-A59 PolarHBondContact O-N 3.37Å; V56-A59 CarbonylContact O-C 3.59Å; V56-A59 WeakPolarHBondContact O-CA 3.36Å; V56-A59 WeakPolarHBondContact O-CB 3.46Å; V56-A59 PolarHBondContact O-N 3.34Å; V56-A59 VanDerWaalsContact O-N 3.12Å; L57-A59 VanDerWaalsContact C-N 3.32Å; L57-A59 PolarHBondContact O-N 2.87Å; A59-A62 PolarHBondContact O-N 3.43Å; A59-L63 VanDerWaalsContact O-CB 3.28Å; A59-L63 WeakPolarHBondContact O-CB 3.37Å; A59-L63 PolarHBondContact O-N 2.86Å |
| 60 | E | 75.5 | Confident | 75.5 | Confident | 115 Ų | 115 | 65.4 Ų | 65.4 | 54% | 0.537 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 175.4 | -74.3 | -178 | 169 | 0 | 0 | 111.7 | V56 L57 L63 S64 | V56-E60 HydrophobicContact CG1-CG 4.48Å; V56-E60 WeakPolarHBondContact O-CG 3.37Å; V56-E60 PolarHBondContact O-N 3.46Å; L57-E60 PolarHBondContact O-N 2.86Å; E60-L63 PolarHBondContact O-N 3.2Å; E60-S64 WeakPolarHBondContact O-CB 3.35Å; E60-S64 PolarHBondContact O-N 3.41Å |
| 61 | M | 77.8 | Confident | 75.7 | Confident | 128 Ų | 128 | 66.1 Ų | 66.1 | 63% | 0.631 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -62.9 | -43 | 175.5 | -73.1 | -175.1 | 177.2 | 0 | 0 | 111.6 | L57 A58 S64 G65 | L57-M61 HydrophobicContact CD1-CE 4.42Å; L57-M61 HydrophobicContact CD2-CE 4.18Å; L57-M61 HydrophobicContact CG-CE 4.1Å; L57-M61 WeakPolarHBondContact O-CB 3.31Å; L57-M61 WeakPolarHBondContact O-CG 3.45Å; L57-M61 PolarHBondContact O-N 2.83Å; A58-M61 PolarHBondContact O-N 3.37Å; M61-S64 PolarHBondContact O-N 3.41Å; M61-G65 PolarHBondContact O-N 2.77Å |
| 62 | A | 76.6 | Confident | 76.1 | Confident | 55 Ų | 55 | 65.6 Ų | 65.6 | 46% | 0.455 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.4 | -43.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A58 A59 G65 L66 | A58-A62 VanDerWaalsContact O-CB 3.32Å; A58-A62 WeakPolarHBondContact O-CB 3.32Å; A58-A62 PolarHBondContact O-N 3.06Å; A59-A62 PolarHBondContact O-N 3.43Å; A62-G65 PolarHBondContact O-N 3.12Å; A62-L66 WeakPolarHBondContact O-CB 3.34Å; A62-L66 PolarHBondContact O-N 3.04Å |
| 63 | L | 76 | Confident | 76.5 | Confident | 73 Ų | 73 | 67.6 Ų | 67.6 | 38% | 0.382 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.9 | -42.7 | 177.1 | -179 | 64.1 | 0 | 0 | 0 | 111.9 | L31 A59 E60 G65 L66 T67 | L31-L63 HydrophobicContact CD1-CD1 3.36Å; L31-L63 HydrophobicContact CD2-CB 4.46Å; L31-L63 HydrophobicContact CD2-CD1 3.64Å; L31-L63 HydrophobicContact CG-CD1 4.13Å; A59-L63 VanDerWaalsContact O-CB 3.28Å; A59-L63 WeakPolarHBondContact O-CB 3.37Å; A59-L63 PolarHBondContact O-N 2.86Å; E60-L63 PolarHBondContact O-N 3.2Å; L63-G65 VanDerWaalsContact C-N 3.35Å; L63-L66 PolarHBondContact O-N 3.27Å; L63-T67 HydrophobicContact CD1-CG2 4.33Å; L63-T67 WeakPolarHBondContact O-CB 3.42Å; L63-T67 VanDerWaalsContact O-CG2 3.31Å; L63-T67 WeakPolarHBondContact O-CG2 3.27Å; L63-T67 PolarHBondContact O-N 3.22Å; L63-T67 PolarHBondContact O-OG1 3.28Å |
| 64 | S | 74.4 | Confident | 76.7 | Confident | 69 Ų | 69 | 66.3 Ų | 66.3 | 48% | 0.483 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.4 | -40.8 | 175.7 | -171.5 | 0 | 0 | 0 | 0 | 111.7 | E60 M61 T67 T68 | E60-S64 WeakPolarHBondContact O-CB 3.35Å; E60-S64 PolarHBondContact O-N 3.41Å; M61-S64 PolarHBondContact O-N 3.41Å; S64-T67 WeakPolarHBondContact CA-OG1 3.4Å; S64-T67 PolarHBondContact O-OG1 2.86Å; S64-T68 WeakPolarHBondContact O-CB 3.34Å; S64-T68 PolarHBondContact O-N 3.43Å; S64-T68 PolarHBondContact O-OG1 2.85Å |
| 65 | G | 77.1 | Confident | 76.6 | Confident | 44 Ų | 44 | 72.3 Ų | 72.3 | 45% | 0.454 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.6 | -44 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | M61 A62 L63 T68 G69 | M61-G65 PolarHBondContact O-N 2.77Å; A62-G65 PolarHBondContact O-N 3.12Å; L63-G65 VanDerWaalsContact C-N 3.35Å; G65-T68 PolarHBondContact O-N 2.87Å; G65-G69 PolarHBondContact O-N 2.92Å |
| 66 | L | 77.5 | Confident | 76.6 | Confident | 61 Ų | 61 | 72.1 Ų | 72.1 | 32% | 0.319 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.4 | -44 | 179.7 | -171.1 | 63.7 | 0 | 0 | 0 | 112.4 | V27 L31 A62 L63 G69 L70 | V27-L66 HydrophobicContact CB-CD2 4.39Å; V27-L66 HydrophobicContact CG1-CD2 3.41Å; V27-L66 VanDerWaalsContact CG1-CD2 3.41Å; V27-L66 HydrophobicContact CG1-CG 4.01Å; V27-L66 HydrophobicContact CG2-CD1 4.3Å; V27-L66 HydrophobicContact CG2-CD2 4.35Å; L31-L66 HydrophobicContact CD1-CD2 4.16Å; L31-L66 HydrophobicContact CD2-CD2 4.21Å; L31-L66 HydrophobicContact CG-CD2 4.16Å; A62-L66 WeakPolarHBondContact O-CB 3.34Å; A62-L66 PolarHBondContact O-N 3.04Å; L63-L66 PolarHBondContact O-N 3.27Å; L66-G69 PolarHBondContact O-N 3.19Å; L66-L70 WeakPolarHBondContact O-CB 3.4Å; L66-L70 PolarHBondContact O-N 2.9Å |
| 67 | T | 76.3 | Confident | 76.6 | Confident | 64 Ų | 64 | 70.9 Ų | 70.9 | 39% | 0.393 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.6 | -42.1 | 176.8 | 48.8 | 0 | 0 | 0 | 0 | 111.8 | L63 S64 L70 Q71 | L63-T67 HydrophobicContact CD1-CG2 4.33Å; L63-T67 WeakPolarHBondContact O-CB 3.42Å; L63-T67 VanDerWaalsContact O-CG2 3.31Å; L63-T67 WeakPolarHBondContact O-CG2 3.27Å; L63-T67 PolarHBondContact O-N 3.22Å; L63-T67 PolarHBondContact O-OG1 3.28Å; S64-T67 WeakPolarHBondContact CA-OG1 3.4Å; S64-T67 PolarHBondContact O-OG1 2.86Å; T67-L70 PolarHBondContact O-N 2.93Å; T67-Q71 WeakPolarHBondContact O-CB 3.4Å; T67-Q71 VanDerWaalsContact O-CG 3.27Å; T67-Q71 WeakPolarHBondContact O-CG 3.46Å; T67-Q71 PolarHBondContact O-N 2.86Å |
| 68 | T | 78.1 | Confident | 76.5 | Confident | 83 Ų | 83 | 70.5 Ų | 70.5 | 51% | 0.509 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 175.6 | -57.6 | 0 | 0 | 0 | 0 | 111.2 | S64 G65 Q71 G72 | S64-T68 WeakPolarHBondContact O-CB 3.34Å; S64-T68 PolarHBondContact O-N 3.43Å; S64-T68 PolarHBondContact O-OG1 2.85Å; G65-T68 PolarHBondContact O-N 2.87Å; T68-Q71 PolarHBondContact O-N 2.76Å; T68-G72 PolarHBondContact O-N 3.26Å |
| 69 | G | 78.5 | Confident | 76.5 | Confident | 40 Ų | 40 | 71.9 Ų | 71.9 | 41% | 0.412 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.4 | -46.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | G65 L66 G72 V73 | G65-G69 PolarHBondContact O-N 2.92Å; L66-G69 PolarHBondContact O-N 3.19Å; G69-G72 PolarHBondContact O-N 3.4Å; G69-V73 WeakPolarHBondContact O-CG2 3.26Å; G69-V73 PolarHBondContact O-N 3.38Å |
| 70 | L | 77.8 | Confident | 76.5 | Confident | 29 Ų | 29 | 75.9 Ų | 75.9 | 15% | 0.152 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -64.8 | -41.5 | 178.2 | -171.5 | 69.2 | 0 | 0 | 0 | 112 | L23 L24 L66 T67 G72 V73 L74 | L23-L70 HydrophobicContact CD2-CD1 3.98Å; L24-L70 HydrophobicContact CD1-CD2 3.57Å; L66-L70 WeakPolarHBondContact O-CB 3.4Å; L66-L70 PolarHBondContact O-N 2.9Å; T67-L70 PolarHBondContact O-N 2.93Å; L70-G72 VanDerWaalsContact C-N 3.31Å; L70-G72 PolarHBondContact O-N 2.93Å; L70-V73 PolarHBondContact O-N 2.86Å; L70-L74 HydrophobicContact CG-CD1 4.33Å; L70-L74 WeakPolarHBondContact O-CB 3.27Å; L70-L74 WeakPolarHBondContact O-CG 3.44Å; L70-L74 PolarHBondContact O-N 3.2Å |
| 71 | Q | 75.4 | Confident | 76.2 | Confident | 129 Ų | 129 | 74.7 Ų | 74.7 | 60% | 0.603 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -58.9 | -42.9 | 172.2 | -77 | 175.6 | -12.2 | 0 | 0 | 111.4 | T67 T68 L74 W75 | T67-Q71 WeakPolarHBondContact O-CB 3.4Å; T67-Q71 VanDerWaalsContact O-CG 3.27Å; T67-Q71 WeakPolarHBondContact O-CG 3.46Å; T67-Q71 PolarHBondContact O-N 2.86Å; T68-Q71 PolarHBondContact O-N 2.76Å; Q71-L74 PolarHBondContact O-N 3.29Å; Q71-W75 VanDerWaalsContact O-CB 3.26Å; Q71-W75 WeakPolarHBondContact O-CB 3.45Å; Q71-W75 PolarHBondContact O-N 3.5Å |
| 72 | G | 79.4 | Confident | 75.9 | Confident | 41 Ų | 41 | 75.1 Ų | 75.1 | 42% | 0.423 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | T68 G69 L70 W75 A76 | T68-G72 PolarHBondContact O-N 3.26Å; G69-G72 PolarHBondContact O-N 3.4Å; L70-G72 VanDerWaalsContact C-N 3.31Å; L70-G72 PolarHBondContact O-N 2.93Å; G72-W75 PolarHBondContact O-N 3.26Å; G72-A76 WeakPolarHBondContact O-CB 3.39Å; G72-A76 PolarHBondContact O-N 3.43Å |
| 73 | V | 76.7 | Confident | 75.6 | Confident | 66 Ų | 66 | 74.5 Ų | 74.5 | 40% | 0.4 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.6 | -48.1 | 174.8 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | G69 L70 W75 A76 V77 | G69-V73 WeakPolarHBondContact O-CG2 3.26Å; G69-V73 PolarHBondContact O-N 3.38Å; L70-V73 PolarHBondContact O-N 2.86Å; V73-W75 VanDerWaalsContact C-N 3.31Å; V73-W75 PolarHBondContact O-N 3.3Å; V73-A76 PolarHBondContact O-N 2.84Å; V73-V77 HydrophobicContact CG1-CG2 4.38Å; V73-V77 VanDerWaalsContact O-CG2 3.27Å; V73-V77 WeakPolarHBondContact O-CG2 3.36Å; V73-V77 PolarHBondContact O-N 3.46Å |
| 74 | L | 76.9 | Confident | 75.1 | Confident | 61 Ų | 61 | 77 Ų | 77 | 32% | 0.319 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -57.5 | -45.8 | 176.2 | -78.1 | 168.9 | 0 | 0 | 0 | 111.4 | L20 L70 Q71 V77 C78 | L20-L74 HydrophobicContact CD1-CD2 3.53Å; L20-L74 HydrophobicContact CD1-CG 4.36Å; L20-L74 HydrophobicContact CD2-CD2 3.51Å; L20-L74 HydrophobicContact CG-CD2 4.09Å; L70-L74 HydrophobicContact CG-CD1 4.33Å; L70-L74 WeakPolarHBondContact O-CB 3.27Å; L70-L74 WeakPolarHBondContact O-CG 3.44Å; L70-L74 PolarHBondContact O-N 3.2Å; Q71-L74 PolarHBondContact O-N 3.29Å; L74-V77 PolarHBondContact O-N 2.99Å; L74-C78 WeakPolarHBondContact O-CB 3.37Å; L74-C78 PolarHBondContact O-N 2.83Å; L74-C78 PolarHBondContact O-SG 3.28Å |
| 75 | W | 76.1 | Confident | 74.6 | Confident | 184 Ų | 184 | 77.6 Ų | 77.6 | 70% | 0.697 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -60.2 | -46.6 | 176.7 | -172.9 | -91 | 0 | 0 | 0 | 111.8 | Q71 G72 V73 V77 C78 I79 | Q71-W75 VanDerWaalsContact O-CB 3.26Å; Q71-W75 WeakPolarHBondContact O-CB 3.45Å; Q71-W75 PolarHBondContact O-N 3.5Å; G72-W75 PolarHBondContact O-N 3.26Å; V73-W75 VanDerWaalsContact C-N 3.31Å; V73-W75 PolarHBondContact O-N 3.3Å; W75-V77 VanDerWaalsContact C-N 3.32Å; W75-V77 PolarHBondContact O-N 3.49Å; W75-C78 PolarHBondContact O-N 2.92Å; W75-I79 VanDerWaalsContact CD1-CD1 3.49Å; W75-I79 HydrophobicContact CG-CD1 4.48Å; W75-I79 WeakPolarHBondContact O-CG1 3.34Å; W75-I79 PolarHBondContact O-N 2.97Å |
| 76 | A | 74.4 | Confident | 73.6 | Confident | 44 Ų | 44 | 84 Ų | 84 | 36% | 0.364 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.3 | -37.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G72 V73 N80 | G72-A76 WeakPolarHBondContact O-CB 3.39Å; G72-A76 PolarHBondContact O-N 3.43Å; V73-A76 PolarHBondContact O-N 2.84Å; A76-N80 WeakPolarHBondContact O-CB 3.42Å; A76-N80 PolarHBondContact O-N 3.42Å; A76-N80 PolarHBondContact O-ND2 3.25Å |
| 77 | V | 75.5 | Confident | 72.7 | Confident | 41 Ų | 41 | 90.8 Ų | 90.8 | 25% | 0.248 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -66.7 | -45.7 | 174.5 | 172.2 | 0 | 0 | 0 | 0 | 110.6 | L16 W19 V73 L74 W75 I79 N80 F81 | L16-V77 HydrophobicContact CD1-CG1 4.43Å; W19-V77 HydrophobicContact CH2-CG2 3.94Å; W19-V77 HydrophobicContact CZ2-CG1 4.47Å; W19-V77 HydrophobicContact CZ2-CG2 4.13Å; V73-V77 HydrophobicContact CG1-CG2 4.38Å; V73-V77 VanDerWaalsContact O-CG2 3.27Å; V73-V77 WeakPolarHBondContact O-CG2 3.36Å; V73-V77 PolarHBondContact O-N 3.46Å; L74-V77 PolarHBondContact O-N 2.99Å; W75-V77 VanDerWaalsContact C-N 3.32Å; W75-V77 PolarHBondContact O-N 3.49Å; V77-I79 PolarHBondContact O-N 2.76Å; V77-N80 PolarHBondContact O-N 3.17Å; V77-F81 WeakPolarHBondContact O-CB 3.45Å; V77-F81 PolarHBondContact O-N 2.95Å |
| 78 | C | 76.2 | Confident | 71.7 | Confident | 80 Ų | 80 | 90.3 Ų | 90.3 | 54% | 0.541 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59.6 | -46.1 | 177 | -72.6 | 0 | 0 | 0 | 0 | 111.8 | L74 W75 N80 F81 E82 | L74-C78 WeakPolarHBondContact O-CB 3.37Å; L74-C78 PolarHBondContact O-N 2.83Å; L74-C78 PolarHBondContact O-SG 3.28Å; W75-C78 PolarHBondContact O-N 2.92Å; C78-N80 PolarHBondContact O-N 2.93Å; C78-F81 PolarHBondContact O-N 2.86Å; C78-E82 WeakPolarHBondContact O-CB 3.34Å; C78-E82 PolarHBondContact O-N 3.2Å |
| 79 | I | 76.5 | Confident | 70.6 | Confident | 84 Ų | 84 | 90 Ų | 90 | 43% | 0.431 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.9 | -44.8 | 175.9 | -71.7 | 178.6 | 0 | 0 | 0 | 111.2 | W75 V77 F81 E82 A83 | W75-I79 VanDerWaalsContact CD1-CD1 3.49Å; W75-I79 HydrophobicContact CG-CD1 4.48Å; W75-I79 WeakPolarHBondContact O-CG1 3.34Å; W75-I79 PolarHBondContact O-N 2.97Å; V77-I79 PolarHBondContact O-N 2.76Å; I79-F81 VanDerWaalsContact C-N 3.31Å; I79-F81 PolarHBondContact O-N 3Å; I79-E82 PolarHBondContact O-N 3.45Å; I79-A83 VanDerWaalsContact O-CB 3.27Å; I79-A83 WeakPolarHBondContact O-CB 3.34Å; I79-A83 PolarHBondContact O-N 3.33Å |
| 80 | N | 73.9 | Confident | 69.3 | Low | 102 Ų | 102 | 93 Ų | 93 | 55% | 0.545 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.7 | -39.8 | 178.2 | -84.5 | -57.3 | 0 | 0 | 0 | 111.6 | A76 V77 C78 A83 Q84 | A76-N80 WeakPolarHBondContact O-CB 3.42Å; A76-N80 PolarHBondContact O-N 3.42Å; A76-N80 PolarHBondContact O-ND2 3.25Å; V77-N80 PolarHBondContact O-N 3.17Å; C78-N80 PolarHBondContact O-N 2.93Å; N80-A83 PolarHBondContact O-N 3.11Å; N80-Q84 WeakPolarHBondContact O-CB 3.31Å; N80-Q84 VanDerWaalsContact O-CG 3.31Å; N80-Q84 WeakPolarHBondContact O-CG 3.41Å; N80-Q84 PolarHBondContact O-N 3.45Å |
| 81 | F | 69.3 | Low | 68.1 | Low | 91 Ų | 91 | 95.2 Ų | 95.2 | 40% | 0.399 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.4 | -44.8 | 176.6 | -169.3 | -95.6 | 0 | 0 | 0 | 111.4 | L16 V77 C78 I79 Q84 H85 | L16-F81 HydrophobicContact CD1-CD2 3.81Å; L16-F81 HydrophobicContact CD1-CE2 4.33Å; V77-F81 WeakPolarHBondContact O-CB 3.45Å; V77-F81 PolarHBondContact O-N 2.95Å; C78-F81 PolarHBondContact O-N 2.86Å; I79-F81 VanDerWaalsContact C-N 3.31Å; I79-F81 PolarHBondContact O-N 3Å; F81-Q84 PolarHBondContact O-N 3.42Å; F81-H85 WeakPolarHBondContact O-CB 3.21Å; F81-H85 PolarHBondContact O-N 2.89Å |
| 82 | E | 71.1 | Confident | 67.1 | Low | 136 Ų | 136 | 92.7 Ų | 92.7 | 64% | 0.636 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62.4 | -43.7 | 175.6 | -170.7 | -178.2 | 168.1 | 0 | 0 | 111.6 | C78 I79 Q84 H85 R86 | C78-E82 WeakPolarHBondContact O-CB 3.34Å; C78-E82 PolarHBondContact O-N 3.2Å; I79-E82 PolarHBondContact O-N 3.45Å; E82-Q84 VanDerWaalsContact C-N 3.34Å; E82-Q84 PolarHBondContact O-N 2.92Å; E82-H85 PolarHBondContact O-N 2.85Å; E82-R86 WeakPolarHBondContact O-CB 3.35Å; E82-R86 PolarHBondContact O-N 3.04Å |
| 83 | A | 69.5 | Low | 65.9 | Low | 42 Ų | 42 | 96.2 Ų | 96.2 | 35% | 0.347 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.1 | -38.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I79 N80 R87 | I79-A83 VanDerWaalsContact O-CB 3.27Å; I79-A83 WeakPolarHBondContact O-CB 3.34Å; I79-A83 PolarHBondContact O-N 3.33Å; N80-A83 PolarHBondContact O-N 3.11Å; A83-R87 WeakPolarHBondContact O-CG 3.36Å; A83-R87 PolarHBondContact O-N 3.23Å |
| 84 | Q | 66.1 | Low | 64.8 | Low | 127 Ų | 127 | 96 Ų | 96 | 59% | 0.593 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -68.3 | -46.3 | 174 | -76.9 | -173.8 | -13.4 | 0 | 0 | 111.6 | N80 F81 E82 R86 R87 V88 | N80-Q84 WeakPolarHBondContact O-CB 3.31Å; N80-Q84 VanDerWaalsContact O-CG 3.31Å; N80-Q84 WeakPolarHBondContact O-CG 3.41Å; N80-Q84 PolarHBondContact O-N 3.45Å; F81-Q84 PolarHBondContact O-N 3.42Å; E82-Q84 VanDerWaalsContact C-N 3.34Å; E82-Q84 PolarHBondContact O-N 2.92Å; Q84-R86 VanDerWaalsContact C-N 3.34Å; Q84-R86 PolarHBondContact O-N 2.86Å; Q84-R87 PolarHBondContact O-N 3.26Å; Q84-V88 WeakPolarHBondContact O-CG2 3.41Å; Q84-V88 PolarHBondContact O-N 3.47Å; Q84-V88 VanDerWaalsContact O-N 3.11Å |
| 85 | H | 63.2 | Low | 63.8 | Low | 80 Ų | 80 | 95.6 Ų | 95.6 | 37% | 0.37 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62 | -42.3 | -179.7 | -163.5 | -97.1 | 0 | 0 | 0 | 111.8 | F81 E82 R87 V88 L89 | F81-H85 WeakPolarHBondContact O-CB 3.21Å; F81-H85 PolarHBondContact O-N 2.89Å; E82-H85 PolarHBondContact O-N 2.85Å; H85-R87 PolarHBondContact O-N 2.72Å; H85-V88 PolarHBondContact O-N 3.48Å; H85-L89 WeakPolarHBondContact CE1-CD1 3.35Å; H85-L89 WeakPolarHBondContact ND1-CD1 3.34Å; H85-L89 PolarHBondContact O-N 3.49Å |
| 86 | R | 58 | Low | 62.8 | Low | 178 Ų | 178 | 92.1 Ų | 92.1 | 67% | 0.672 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.3 | -37.7 | 177.1 | -158.8 | 179 | -156 | -166.4 | 6.9 | 112.7 | E82 Q84 V88 L90 | E82-R86 WeakPolarHBondContact O-CB 3.35Å; E82-R86 PolarHBondContact O-N 3.04Å; Q84-R86 VanDerWaalsContact C-N 3.34Å; Q84-R86 PolarHBondContact O-N 2.86Å; R86-V88 VanDerWaalsContact C-N 3.3Å; R86-V88 PolarHBondContact O-N 3.07Å; R86-L90 HydrophobicContact CG-CD1 3.96Å; R86-L90 HydrophobicContact CG-CG 4.47Å; R86-L90 WeakPolarHBondContact O-CD1 3.45Å; R86-L90 VanDerWaalsContact O-CG 3.31Å; R86-L90 WeakPolarHBondContact O-CG 3.27Å; R86-L90 PolarHBondContact O-N 2.99Å |
| 87 | R | 57.3 | Low | 62 | Low | 204 Ų | 204 | 93.8 Ų | 93.8 | 77% | 0.77 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -70.1 | -25.4 | 176 | -75.9 | 179.4 | -177.2 | 174.3 | 3 | 113.3 | A83 Q84 H85 P91 | A83-R87 WeakPolarHBondContact O-CG 3.36Å; A83-R87 PolarHBondContact O-N 3.23Å; Q84-R87 PolarHBondContact O-N 3.26Å; H85-R87 PolarHBondContact O-N 2.72Å; R87-P91 WeakPolarHBondContact O-CD 3.36Å; R87-P91 WeakPolarHBondContact O-CG 3.08Å |
| 88 | V | 56.5 | Low | 61 | Low | 54 Ų | 54 | 98.5 Ų | 98.5 | 33% | 0.327 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -86.3 | -34.5 | 178.6 | 175.6 | 0 | 0 | 0 | 0 | 111.9 | Q84 H85 R86 P91 V92 | Q84-V88 WeakPolarHBondContact O-CG2 3.41Å; Q84-V88 PolarHBondContact O-N 3.47Å; Q84-V88 VanDerWaalsContact O-N 3.11Å; H85-V88 PolarHBondContact O-N 3.48Å; R86-V88 VanDerWaalsContact C-N 3.3Å; R86-V88 PolarHBondContact O-N 3.07Å; V88-P91 WeakPolarHBondContact O-CD 3.41Å; V88-P91 WeakPolarHBondContact O-CG 3.44Å; V88-V92 WeakPolarHBondContact O-CG2 3.31Å |
| 89 | L | 53.8 | Low | 60.1 | Low | 77 Ų | 77 | 101.1 Ų | 101.1 | 40% | 0.403 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -79.1 | -39.7 | -179 | -72.5 | -178.6 | 0 | 0 | 0 | 114.7 | H85 V92 E93 | H85-L89 WeakPolarHBondContact CE1-CD1 3.35Å; H85-L89 WeakPolarHBondContact ND1-CD1 3.34Å; H85-L89 PolarHBondContact O-N 3.49Å; L89-V92 PolarHBondContact O-N 2.88Å; L89-E93 PolarHBondContact O-N 2.97Å |
| 90 | L | 52.6 | Low | 59.1 | Low | 103 Ų | 103 | 107.2 Ų | 107.2 | 54% | 0.539 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -57.4 | -39.5 | -179.2 | -73.7 | 168.3 | 0 | 0 | 0 | 115 | R86 V92 A94 | R86-L90 HydrophobicContact CG-CD1 3.96Å; R86-L90 HydrophobicContact CG-CG 4.47Å; R86-L90 WeakPolarHBondContact O-CD1 3.45Å; R86-L90 VanDerWaalsContact O-CG 3.31Å; R86-L90 WeakPolarHBondContact O-CG 3.27Å; R86-L90 PolarHBondContact O-N 2.99Å; L90-V92 VanDerWaalsContact C-N 3.34Å; L90-A94 VanDerWaalsContact O-CB 3.26Å; L90-A94 WeakPolarHBondContact O-CB 3.41Å; L90-A94 PolarHBondContact O-N 3.38Å; L90-A94 VanDerWaalsContact O-N 3.07Å |
| 91 | P | 52.1 | Low | 58.3 | Low | 75 Ų | 75 | 109.6 Ų | 109.6 | 49% | 0.487 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -73.6 | -24.5 | 175.6 | 27.1 | -33.5 | 0 | 0 | 0 | 113.2 | R87 V88 A95 | R87-P91 WeakPolarHBondContact O-CD 3.36Å; R87-P91 WeakPolarHBondContact O-CG 3.08Å; V88-P91 WeakPolarHBondContact O-CD 3.41Å; V88-P91 WeakPolarHBondContact O-CG 3.44Å; P91-A95 WeakPolarHBondContact O-CB 3.39Å; P91-A95 PolarHBondContact O-N 3.3Å |
| 92 | V | 54.4 | Low | 57.5 | Low | 76 Ų | 76 | 112.3 Ų | 112.3 | 46% | 0.461 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -76.1 | -43.9 | 177.7 | 178.7 | 0 | 0 | 0 | 0 | 110.4 | V88 L89 L90 A94 A95 E96 | V88-V92 WeakPolarHBondContact O-CG2 3.31Å; L89-V92 PolarHBondContact O-N 2.88Å; L90-V92 VanDerWaalsContact C-N 3.34Å; V92-A94 VanDerWaalsContact C-N 3.34Å; V92-A94 PolarHBondContact O-N 3.28Å; V92-A95 PolarHBondContact O-N 3.49Å; V92-E96 PolarHBondContact O-N 3.02Å |
| 93 | E | 52.9 | Low | 56.4 | Low | 116 Ų | 116 | 111.2 Ų | 111.2 | 54% | 0.542 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.8 | -39 | 173.3 | -72.7 | -178.8 | 164 | 0 | 0 | 111.5 | L89 A95 E96 V97 | L89-E93 PolarHBondContact O-N 2.97Å; E93-A95 VanDerWaalsContact C-N 3.34Å; E93-A95 PolarHBondContact O-N 3.32Å; E93-E96 PolarHBondContact O-N 3.19Å; E93-V97 WeakPolarHBondContact O-CB 3.22Å; E93-V97 WeakPolarHBondContact O-CG2 3.42Å; E93-V97 PolarHBondContact O-N 3.41Å |
| 94 | A | 55.1 | Low | 55.8 | Low | 62 Ų | 62 | 117.7 Ų | 117.7 | 51% | 0.512 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -67.8 | -32.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | L90 V92 K98 | L90-A94 VanDerWaalsContact O-CB 3.26Å; L90-A94 WeakPolarHBondContact O-CB 3.41Å; L90-A94 PolarHBondContact O-N 3.38Å; L90-A94 VanDerWaalsContact O-N 3.07Å; V92-A94 VanDerWaalsContact C-N 3.34Å; V92-A94 PolarHBondContact O-N 3.28Å; A94-K98 WeakPolarHBondContact O-CB 3.15Å; A94-K98 PolarHBondContact O-N 2.96Å |
| 95 | A | 55.4 | Low | 55.4 | Low | 52 Ų | 52 | 120.1 Ų | 120.1 | 43% | 0.43 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -72.9 | -43.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | P91 V92 E93 V97 K98 D99 | P91-A95 WeakPolarHBondContact O-CB 3.39Å; P91-A95 PolarHBondContact O-N 3.3Å; V92-A95 PolarHBondContact O-N 3.49Å; E93-A95 VanDerWaalsContact C-N 3.34Å; E93-A95 PolarHBondContact O-N 3.32Å; A95-V97 VanDerWaalsContact C-N 3.32Å; A95-V97 PolarHBondContact O-N 3.47Å; A95-K98 PolarHBondContact O-N 3.01Å; A95-D99 PolarHBondContact O-N 3.49Å |
| 96 | E | 56 | Low | 55 | Low | 110 Ų | 110 | 122.1 Ų | 122.1 | 51% | 0.514 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -64.6 | -34.1 | 176 | -81.6 | -168.8 | 145.2 | 0 | 0 | 112.9 | V92 E93 R100 | V92-E96 PolarHBondContact O-N 3.02Å; E93-E96 PolarHBondContact O-N 3.19Å; E96-R100 WeakPolarHBondContact O-CG 3.26Å; E96-R100 PolarHBondContact O-N 3.07Å |
| 97 | V | 56.3 | Low | 54.8 | Low | 80 Ų | 80 | 119.2 Ų | 119.2 | 49% | 0.485 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -71.5 | -34.2 | 175.2 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | E93 A95 R100 Q101 | E93-V97 WeakPolarHBondContact O-CB 3.22Å; E93-V97 WeakPolarHBondContact O-CG2 3.42Å; E93-V97 PolarHBondContact O-N 3.41Å; A95-V97 VanDerWaalsContact C-N 3.32Å; A95-V97 PolarHBondContact O-N 3.47Å; V97-R100 PolarHBondContact O-N 3.34Å; V97-Q101 WeakPolarHBondContact O-CB 3.48Å; V97-Q101 PolarHBondContact O-N 3.2Å |
| 98 | K | 55.4 | Low | 54.7 | Low | 140 Ų | 140 | 114.4 Ų | 114.4 | 61% | 0.609 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -71.1 | -39.5 | 177.4 | -164.2 | 177.8 | 178.8 | -171.2 | 0 | 112.3 | A94 A95 R100 Q101 E102 | A94-K98 WeakPolarHBondContact O-CB 3.15Å; A94-K98 PolarHBondContact O-N 2.96Å; A95-K98 PolarHBondContact O-N 3.01Å; K98-R100 PolarHBondContact O-N 3.46Å; K98-Q101 PolarHBondContact O-N 3.49Å; K98-Q101 VanDerWaalsContact O-N 3.13Å; K98-E102 PolarHBondContact O-N 3.13Å |
| 99 | D | 56 | Low | 54.6 | Low | 135 Ų | 135 | 118 Ų | 118 | 72% | 0.722 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -68.1 | -21.5 | 176.5 | -80.3 | -12 | 0 | 0 | 0 | 113.2 | A95 | A95-D99 PolarHBondContact O-N 3.49Å |
| 100 | R | 56.3 | Low | 54.6 | Low | 212 Ų | 212 | 120.6 Ų | 120.6 | 80% | 0.8 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -7.1 | 173.4 | -67.3 | -174.5 | -171.8 | -164.3 | 6.2 | 114.1 | E96 V97 K98 | E96-R100 WeakPolarHBondContact O-CG 3.26Å; E96-R100 PolarHBondContact O-N 3.07Å; V97-R100 PolarHBondContact O-N 3.34Å; K98-R100 PolarHBondContact O-N 3.46Å |
| 101 | Q | 56.6 | Low | 54.7 | Low | 151 Ų | 151 | 121.7 Ų | 121.7 | 71% | 0.706 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.3 | -2.2 | -175.9 | -92 | -180 | -12.5 | 0 | 0 | 114.9 | V97 K98 | V97-Q101 WeakPolarHBondContact O-CB 3.48Å; V97-Q101 PolarHBondContact O-N 3.2Å; K98-Q101 PolarHBondContact O-N 3.49Å; K98-Q101 VanDerWaalsContact O-N 3.13Å |
| 102 | E | 53.1 | Low | 54.9 | Low | 149 Ų | 149 | 125.1 Ų | 125.1 | 70% | 0.696 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -75 | 137.6 | 167.6 | -75 | -169 | 168.1 | 0 | 0 | 111.1 | K98 | K98-E102 PolarHBondContact O-N 3.13Š|
| 103 | P | 48.2 | Very low | 55 | Low | 112 Ų | 112 | 128.8 Ų | 128.8 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | trans | -87.8 | 145.4 | -142.3 | 9.6 | 6.3 | 0 | 0 | 0 | 112.3 | S105 | P103-S105 VanDerWaalsContact C-N 3.34Å; P103-S105 PolarHBondContact O-N 2.9Å | ||
| 104 | I | 56.5 | Low | 55.2 | Low | 178 Ų | 178 | 129.9 Ų | 129.9 | 91% | 0.913 | 70% | 0.697 | S | S | * | * | trans | -51.9 | 102.7 | 155 | -58.5 | 164.2 | 0 | 0 | 0 | 106.6 | ||||
| 105 | S | 57.1 | Low | 55.2 | Low | 178 Ų | 178 | 136.1 Ų | 136.1 | 100% | 1.245 | 71% | 0.713 | S | S | * | * | trans | -68.8 | 0 | 167 | 60.8 | 0 | 0 | 0 | 0 | 111 | P103 | P103-S105 VanDerWaalsContact C-N 3.34Å; P103-S105 PolarHBondContact O-N 2.9Å |
Retrieved 105 of 105 residues in 83.4 ms
(Link to these results)