| 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 | 42.7 | Very low | 54.5 | Low | 249 Ų | 249 | 126.3 Ų | 126.3 | 100% | 1.227 | 71% | 0.713 | S | S | * | * | 0 | 90 | 0 | -116.3 | 174.3 | 173.8 | 0 | 0 | 106.4 | |||||
| 2 | E | 42.4 | Very low | 57.1 | Low | 196 Ų | 196 | 118.3 Ų | 118.3 | 92% | 0.916 | 67% | 0.666 | S | S | * | * | trans | -86.2 | 117.5 | 176.1 | -95 | 175.5 | 135.7 | 0 | 0 | 108.5 | ||||
| 3 | M | 48.6 | Very low | 59.5 | Low | 167 Ų | 167 | 114.7 Ų | 114.7 | 82% | 0.823 | 64% | 0.64 | S | S | * | * | trans | -99.6 | 93 | 169.8 | -71.4 | -75.2 | -76.8 | 0 | 0 | 107.3 | T5 | M3-T5 PolarHBondContact O-N 3.4Š| ||
| 4 | A | 51.1 | Low | 61.8 | Low | 90 Ų | 90 | 108.6 Ų | 108.6 | 74% | 0.744 | 62% | 0.617 | S | S | * | * | trans | -74.9 | 102.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | P6 | A4-P6 VanDerWaalsContact C-CD 3.49Š| ||
| 5 | T | 55.1 | Low | 63.7 | Low | 120 Ų | 120 | 101.6 Ų | 101.6 | 74% | 0.736 | 58% | 0.576 | S | S | * | * | trans | -119.1 | 46.7 | 173.1 | 48.3 | 0 | 0 | 0 | 0 | 114.8 | M3 | M3-T5 PolarHBondContact O-N 3.4Š| ||
| 6 | P | 51.8 | Low | 65.4 | Low | 79 Ų | 79 | 102.8 Ų | 102.8 | 51% | 0.513 | 57% | 0.569 | S | S | . | * | trans | -104.1 | -12 | -170.3 | 11.5 | 12 | 0 | 0 | 0 | 116.7 | A4 | A4-P6 VanDerWaalsContact C-CD 3.49Š| ||
| 7 | N | 54.7 | Low | 67.1 | Low | 139 Ų | 139 | 104.5 Ų | 104.5 | 74% | 0.743 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -94.9 | -21.7 | -163.8 | -69 | -8.5 | 0 | 0 | 0 | 115.9 | ||
| 8 | V | 55.4 | Low | 68.6 | Low | 92 Ų | 92 | 106.6 Ų | 106.6 | 56% | 0.558 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -86.2 | -29.1 | -176.8 | -178.1 | 0 | 0 | 0 | 0 | 112.2 | M12 W69 | V8-M12 PolarHBondContact O-N 3Å; V8-W69 HydrophobicContact CG1-CE3 4.25Å; V8-W69 HydrophobicContact CG1-CZ3 4.08Å |
| 9 | S | 56.7 | Low | 69.9 | Low | 77 Ų | 77 | 102.2 Ų | 102.2 | 54% | 0.538 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -73.8 | -31.4 | -178.4 | 58.5 | 0 | 0 | 0 | 0 | 113.3 | D11 E13 | S9-D11 VanDerWaalsContact C-N 3.32Å; S9-D11 PolarHBondContact O-N 2.86Å; S9-E13 PolarHBondContact O-N 2.82Å |
| 10 | V | 58.8 | Low | 71.1 | Confident | 109 Ų | 109 | 100 Ų | 100 | 66% | 0.661 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.2 | -36.4 | -179.9 | 177.7 | 0 | 0 | 0 | 0 | 111.2 | G14 | V10-G14 PolarHBondContact O-N 3.5Å |
| 11 | D | 82.4 | Confident | 72.3 | Confident | 71 Ų | 71 | 96.7 Ų | 96.7 | 38% | 0.38 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -74.2 | -43 | 180 | -162.5 | 29.6 | 0 | 0 | 0 | 111.8 | S9 E13 G14 L15 | S9-D11 VanDerWaalsContact C-N 3.32Å; S9-D11 PolarHBondContact O-N 2.86Å; D11-E13 PolarHBondContact O-N 2.78Å; D11-G14 WeakPolarHBondContact O-CA 3.34Å; D11-G14 PolarHBondContact O-N 3.39Å; D11-G14 VanDerWaalsContact O-N 3.09Å; D11-L15 WeakPolarHBondContact O-CG 3.44Å; D11-L15 PolarHBondContact O-N 2.9Å |
| 12 | M | 85.8 | Confident | 74.9 | Confident | 31 Ų | 31 | 85.4 Ų | 85.4 | 15% | 0.153 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -63.3 | -39.6 | 178.9 | -79.2 | -60.1 | -83.8 | 0 | 0 | 114 | V8 G14 L15 R16 F66 W69 L70 | V8-M12 PolarHBondContact O-N 3Å; M12-G14 VanDerWaalsContact C-N 3.31Å; M12-L15 PolarHBondContact O-N 3.31Å; M12-L15 HydrophobicContact SD-CD1 4.19Å; M12-R16 WeakPolarHBondContact O-CB 3.47Å; M12-R16 PolarHBondContact O-N 3.47Å; M12-F66 HydrophobicContact CE-CD2 3.88Å; M12-F66 HydrophobicContact CE-CE2 3.57Å; M12-F66 HydrophobicContact CE-CZ 4.05Å; M12-F66 HydrophobicContact SD-CD2 4.23Å; M12-F66 HydrophobicContact SD-CE2 4.31Å; M12-W69 HydrophobicContact CE-CB 3.67Å; M12-W69 HydrophobicContact CG-CB 4.24Å; M12-W69 HydrophobicContact SD-CB 3.14Å; M12-W69 WeakPolarHBondContact SD-CB 3.44Å; M12-W69 HydrophobicContact SD-CG 3.62Å; M12-L70 HydrophobicContact CE-CD2 4.15Å |
| 13 | E | 88.2 | Confident | 77.4 | Confident | 71 Ų | 71 | 80.6 Ų | 80.6 | 33% | 0.332 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -67.9 | -35 | 175.2 | -175.3 | 57 | -156.1 | 0 | 0 | 111.3 | S9 D11 R16 K17 | S9-E13 PolarHBondContact O-N 2.82Å; D11-E13 PolarHBondContact O-N 2.78Å; E13-R16 IonicContact OE2-CZ 2.78Å; E13-R16 IonicContact OE2-NH1 2.77Å; E13-R16 PolarHBondContact OE2-NH1 3.26Å; E13-K17 HydrophobicContact CG-CD 4.44Å; E13-K17 WeakPolarHBondContact O-CB 3.45Å; E13-K17 WeakPolarHBondContact O-CG 3.28Å; E13-K17 PolarHBondContact O-N 3.24Å; E13-K17 WeakPolarHBondContact OE1-CE 3.46Å; E13-K17 IonicContact OE1-NZ 3.98Å |
| 14 | G | 91.3 | Very high | 79.8 | Confident | 30 Ų | 30 | 76 Ų | 76 | 31% | 0.309 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.7 | -49.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V10 D11 M12 K17 R18 | V10-G14 PolarHBondContact O-N 3.5Å; D11-G14 WeakPolarHBondContact O-CA 3.34Å; D11-G14 PolarHBondContact O-N 3.39Å; D11-G14 VanDerWaalsContact O-N 3.09Å; M12-G14 VanDerWaalsContact C-N 3.31Å; G14-K17 PolarHBondContact O-N 3.39Å; G14-R18 WeakPolarHBondContact O-CG 3.04Å; G14-R18 PolarHBondContact O-N 3.42Å |
| 15 | L | 91.1 | Very high | 82 | Confident | 3 Ų | 3 | 77.3 Ų | 77.3 | 2% | 0.016 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -60.7 | -45.7 | 176.3 | -68 | 174.4 | 0 | 0 | 0 | 111.9 | D11 M12 K17 R18 R19 V62 E65 F66 | D11-L15 WeakPolarHBondContact O-CG 3.44Å; D11-L15 PolarHBondContact O-N 2.9Å; M12-L15 PolarHBondContact O-N 3.31Å; M12-L15 HydrophobicContact SD-CD1 4.19Å; L15-K17 VanDerWaalsContact C-N 3.33Å; L15-K17 PolarHBondContact O-N 3.31Å; L15-R18 PolarHBondContact O-N 3.05Å; L15-R19 VanDerWaalsContact O-CB 3.28Å; L15-R19 WeakPolarHBondContact O-CB 3.43Å; L15-R19 PolarHBondContact O-N 3.08Å; L15-V62 HydrophobicContact CD2-CG1 4.38Å; L15-E65 HydrophobicContact CD1-CG 3.89Å; L15-E65 HydrophobicContact CD2-CB 4.31Å; L15-E65 VanDerWaalsContact CD2-CD 3.42Å; L15-E65 HydrophobicContact CD2-CG 3.93Å; L15-E65 VanDerWaalsContact CD2-OE2 3.3Å; L15-E65 WeakPolarHBondContact CD2-OE2 3.47Å; L15-F66 HydrophobicContact CB-CD2 3.87Å |
| 16 | R | 90.9 | Very high | 84.1 | Confident | 120 Ų | 120 | 71.6 Ų | 71.6 | 45% | 0.453 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -58 | -44.2 | 176.5 | -175 | -174 | -69.5 | 153.6 | -8 | 112 | M12 E13 S20 F66 | M12-R16 WeakPolarHBondContact O-CB 3.47Å; M12-R16 PolarHBondContact O-N 3.47Å; E13-R16 IonicContact OE2-CZ 2.78Å; E13-R16 IonicContact OE2-NH1 2.77Å; E13-R16 PolarHBondContact OE2-NH1 3.26Å; R16-S20 WeakPolarHBondContact O-CB 3.47Å; R16-S20 PolarHBondContact O-N 3.02Å; R16-S20 PolarHBondContact O-OG 3.05Å; R16-F66 HydrophobicContact CB-CE2 4.09Å |
| 17 | K | 93.3 | Very high | 86.2 | Confident | 133 Ų | 133 | 69 Ų | 69 | 58% | 0.578 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -65.9 | -45.1 | 176.9 | -76.9 | 176.1 | -179.7 | 170.3 | 0 | 112.2 | E13 G14 L15 S20 G21 | E13-K17 HydrophobicContact CG-CD 4.44Å; E13-K17 WeakPolarHBondContact O-CB 3.45Å; E13-K17 WeakPolarHBondContact O-CG 3.28Å; E13-K17 PolarHBondContact O-N 3.24Å; E13-K17 WeakPolarHBondContact OE1-CE 3.46Å; E13-K17 IonicContact OE1-NZ 3.98Å; G14-K17 PolarHBondContact O-N 3.39Å; L15-K17 VanDerWaalsContact C-N 3.33Å; L15-K17 PolarHBondContact O-N 3.31Å; K17-S20 WeakPolarHBondContact CA-OG 3.3Å; K17-S20 PolarHBondContact O-N 3.34Å; K17-S20 PolarHBondContact O-OG 2.83Å; K17-S20 VanDerWaalsContact O-OG 3.05Å; K17-G21 PolarHBondContact O-N 3.13Å |
| 18 | R | 93.7 | Very high | 88.3 | Confident | 141 Ų | 141 | 69.6 Ų | 69.6 | 53% | 0.532 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60 | -48.3 | 177.1 | -74.4 | 178.3 | 66.6 | -149.8 | -2.4 | 111 | G14 L15 G21 L22 V62 E65 | G14-R18 WeakPolarHBondContact O-CG 3.04Å; G14-R18 PolarHBondContact O-N 3.42Å; L15-R18 PolarHBondContact O-N 3.05Å; R18-G21 PolarHBondContact O-N 3.36Å; R18-L22 WeakPolarHBondContact O-CG 3.04Å; R18-L22 PolarHBondContact O-N 3.44Å; R18-V62 HydrophobicContact CB-CG1 4.21Å; R18-E65 IonicContact NH1-OE2 3.01Å |
| 19 | R | 94 | Very high | 90.4 | Very high | 24 Ų | 24 | 66.8 Ų | 66.8 | 9% | 0.091 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.8 | -49.7 | 178.5 | -173.3 | -172 | 62.5 | 174.1 | 5.9 | 112.6 | L15 G21 L22 R23 F59 V62 E79 | L15-R19 VanDerWaalsContact O-CB 3.28Å; L15-R19 WeakPolarHBondContact O-CB 3.43Å; L15-R19 PolarHBondContact O-N 3.08Å; R19-G21 VanDerWaalsContact C-N 3.3Å; R19-G21 PolarHBondContact O-N 3.35Å; R19-L22 PolarHBondContact O-N 3.27Å; R19-R23 PolarHBondContact O-N 3.02Å; R19-F59 HydrophobicContact CG-CD2 4.11Å; R19-F59 HydrophobicContact CG-CE2 3.46Å; R19-F59 VanDerWaalsContact CG-CE2 3.46Å; R19-F59 HydrophobicContact CG-CZ 4.03Å; R19-V62 HydrophobicContact CB-CG1 3.85Å; R19-E79 IonicContact CZ-OE1 2.8Å; R19-E79 IonicContact CZ-OE2 3.41Å; R19-E79 IonicContact NH1-OE1 3.08Å; R19-E79 PolarHBondContact NH1-OE1 2.7Å; R19-E79 IonicContact NH1-OE2 2.88Å; R19-E79 PolarHBondContact NH1-OE2 2.89Å; R19-E79 IonicContact NH2-OE1 3.71Å; R19-E79 PolarHBondContact NH2-OE1 3.4Å; R19-E79 IonicContact NH2-OE2 3.85Å; R19-E79 PolarHBondContact NH2-OE2 3.45Å |
| 20 | S | 93.5 | Very high | 92.3 | Very high | 57 Ų | 57 | 64.3 Ų | 64.3 | 40% | 0.399 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.8 | -35.4 | 179 | 57.9 | 0 | 0 | 0 | 0 | 112.1 | R16 K17 S24 | R16-S20 WeakPolarHBondContact O-CB 3.47Å; R16-S20 PolarHBondContact O-N 3.02Å; R16-S20 PolarHBondContact O-OG 3.05Å; K17-S20 WeakPolarHBondContact CA-OG 3.3Å; K17-S20 PolarHBondContact O-N 3.34Å; K17-S20 PolarHBondContact O-OG 2.83Å; K17-S20 VanDerWaalsContact O-OG 3.05Å; S20-S24 WeakPolarHBondContact O-CB 3.39Å; S20-S24 PolarHBondContact O-N 3.3Å; S20-S24 PolarHBondContact O-OG 2.89Å |
| 21 | G | 96.9 | Very high | 94.2 | Very high | 32 Ų | 32 | 65.3 Ų | 65.3 | 33% | 0.33 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.6 | -46.2 | 172 | 0 | 0 | 0 | 0 | 0 | 112.9 | K17 R18 R19 S24 R25 | K17-G21 PolarHBondContact O-N 3.13Å; R18-G21 PolarHBondContact O-N 3.36Å; R19-G21 VanDerWaalsContact C-N 3.3Å; R19-G21 PolarHBondContact O-N 3.35Å; G21-S24 PolarHBondContact O-N 3.46Å; G21-R25 VanDerWaalsContact O-CG 3.3Å; G21-R25 WeakPolarHBondContact O-CG 3.35Å; G21-R25 PolarHBondContact O-N 3.47Å |
| 22 | L | 96.8 | Very high | 94.9 | Very high | 11 Ų | 11 | 64.1 Ų | 64.1 | 6% | 0.058 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.9 | -48.7 | 175.2 | -75 | 167.4 | 0 | 0 | 0 | 111.4 | R18 R19 S24 R25 I26 L55 E58 F59 V62 | R18-L22 WeakPolarHBondContact O-CG 3.04Å; R18-L22 PolarHBondContact O-N 3.44Å; R19-L22 PolarHBondContact O-N 3.27Å; L22-S24 VanDerWaalsContact C-N 3.31Å; L22-S24 PolarHBondContact O-N 3.29Å; L22-R25 PolarHBondContact O-N 3.42Å; L22-R25 VanDerWaalsContact O-N 3.11Å; L22-I26 WeakPolarHBondContact O-CG1 3.43Å; L22-I26 PolarHBondContact O-N 3.22Å; L22-L55 HydrophobicContact CD2-CD2 4.14Å; L22-E58 HydrophobicContact CD1-CB 4.15Å; L22-E58 HydrophobicContact CD2-CB 4.08Å; L22-E58 WeakPolarHBondContact CD2-OE2 3.32Å; L22-F59 HydrophobicContact CB-CB 4.33Å; L22-F59 HydrophobicContact CB-CD2 3.98Å; L22-F59 HydrophobicContact CD1-CB 4.45Å; L22-V62 HydrophobicContact CD1-CB 4.37Å; L22-V62 HydrophobicContact CD1-CG2 3.92Å |
| 23 | R | 96.2 | Very high | 95.5 | Very high | 96 Ų | 96 | 62.7 Ų | 62.7 | 36% | 0.362 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -55.6 | -45.3 | 175.8 | -177.4 | 174.6 | 175.5 | 149.5 | -7.5 | 111.9 | R19 R25 I26 G27 F59 D82 L86 | R19-R23 PolarHBondContact O-N 3.02Å; R23-R25 PolarHBondContact O-N 3.29Å; R23-I26 PolarHBondContact O-N 2.99Å; R23-G27 PolarHBondContact O-N 3.45Å; R23-F59 HydrophobicContact CB-CD2 4.49Å; R23-F59 HydrophobicContact CB-CE2 4Å; R23-D82 IonicContact CZ-OD1 3.27Å; R23-D82 VanDerWaalsContact NH1-CB 3.32Å; R23-D82 PolarHBondContact NH1-O 3.44Å; R23-D82 IonicContact NH1-OD1 3.49Å; R23-D82 PolarHBondContact NH1-OD1 2.78Å; R23-D82 IonicContact NH1-OD2 3.06Å; R23-D82 IonicContact NH2-OD1 3.54Å; R23-D82 PolarHBondContact NH2-OD1 3.35Å; R23-L86 HydrophobicContact CG-CD1 4.43Å; R23-L86 HydrophobicContact CG-CD2 4.35Å |
| 24 | S | 97.4 | Very high | 95.9 | Very high | 70 Ų | 70 | 64 Ų | 64 | 49% | 0.49 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.6 | -34.5 | 178.8 | -58 | 0 | 0 | 0 | 0 | 113 | S20 G21 L22 R28 | S20-S24 WeakPolarHBondContact O-CB 3.39Å; S20-S24 PolarHBondContact O-N 3.3Å; S20-S24 PolarHBondContact O-OG 2.89Å; G21-S24 PolarHBondContact O-N 3.46Å; L22-S24 VanDerWaalsContact C-N 3.31Å; L22-S24 PolarHBondContact O-N 3.29Å; S24-R28 WeakPolarHBondContact O-CG 3.48Å; S24-R28 PolarHBondContact O-N 3.3Å; S24-R28 PolarHBondContact O-NE 3.27Å |
| 25 | R | 98.1 | Very high | 96.2 | Very high | 118 Ų | 118 | 68 Ų | 68 | 45% | 0.445 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -69.1 | -44.9 | 173.8 | -72.1 | 170.5 | 70.8 | -166 | 1.3 | 111.1 | G21 L22 R23 R28 L29 L55 | G21-R25 VanDerWaalsContact O-CG 3.3Å; G21-R25 WeakPolarHBondContact O-CG 3.35Å; G21-R25 PolarHBondContact O-N 3.47Å; L22-R25 PolarHBondContact O-N 3.42Å; L22-R25 VanDerWaalsContact O-N 3.11Å; R23-R25 PolarHBondContact O-N 3.29Å; R25-R28 PolarHBondContact O-N 3.4Å; R25-L29 WeakPolarHBondContact O-CG 3.3Å; R25-L29 PolarHBondContact O-N 3.07Å; R25-L29 VanDerWaalsContact O-N 3.08Å; R25-L55 HydrophobicContact CB-CD1 3.91Å |
| 26 | I | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60 | -47.2 | 175.7 | -66.9 | 164.1 | 0 | 0 | 0 | 110.1 | L22 R23 R28 L29 L30 V52 L55 L56 F59 L86 V90 | L22-I26 WeakPolarHBondContact O-CG1 3.43Å; L22-I26 PolarHBondContact O-N 3.22Å; R23-I26 PolarHBondContact O-N 2.99Å; I26-R28 PolarHBondContact O-N 3.48Å; I26-L29 PolarHBondContact O-N 3.11Å; I26-L29 VanDerWaalsContact O-N 3.1Å; I26-L30 HydrophobicContact CG2-CD1 4Å; I26-L30 HydrophobicContact CG2-CG 4.23Å; I26-L30 WeakPolarHBondContact O-CG 3.36Å; I26-L30 PolarHBondContact O-N 3.4Å; I26-V52 HydrophobicContact CG2-CG1 4.17Å; I26-L55 HydrophobicContact CD1-CB 4.17Å; I26-L55 HydrophobicContact CG1-CB 3.73Å; I26-L55 HydrophobicContact CG1-CD1 4.4Å; I26-L56 HydrophobicContact CD1-CD1 4.43Å; I26-F59 HydrophobicContact CD1-CB 4.01Å; I26-F59 HydrophobicContact CD1-CG 4.39Å; I26-L86 HydrophobicContact CB-CD1 4.33Å; I26-L86 HydrophobicContact CD1-CD2 4.02Å; I26-L86 HydrophobicContact CG2-CD1 3.71Å; I26-L86 HydrophobicContact CG2-CG 4.45Å; I26-V90 HydrophobicContact CG2-CG2 4.18Å |
| 27 | G | 97.7 | Very high | 96.7 | Very high | 25 Ų | 25 | 65.4 Ų | 65.4 | 26% | 0.258 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -54.3 | -49 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | R23 L29 L30 E31 | R23-G27 PolarHBondContact O-N 3.45Å; G27-L29 VanDerWaalsContact C-N 3.33Å; G27-L29 PolarHBondContact O-N 3.03Å; G27-L30 PolarHBondContact O-N 2.84Å; G27-L30 VanDerWaalsContact O-N 3.14Å; G27-E31 WeakPolarHBondContact O-CG 3.49Å; G27-E31 PolarHBondContact O-N 2.67Å |
| 28 | R | 98.3 | Very high | 96.8 | Very high | 151 Ų | 151 | 63.8 Ų | 63.8 | 57% | 0.57 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -62.4 | -36.3 | 176.4 | -73.7 | -176.5 | -69.4 | 175.3 | -2.2 | 113.4 | S24 R25 I26 N32 | S24-R28 WeakPolarHBondContact O-CG 3.48Å; S24-R28 PolarHBondContact O-N 3.3Å; S24-R28 PolarHBondContact O-NE 3.27Å; R25-R28 PolarHBondContact O-N 3.4Å; I26-R28 PolarHBondContact O-N 3.48Å; R28-N32 PolarHBondContact O-N 2.99Å; R28-N32 VanDerWaalsContact O-N 3.08Å; R28-N32 PolarHBondContact O-ND2 3.48Å |
| 29 | L | 98.2 | Very high | 96.9 | Very high | 32 Ų | 32 | 62.3 Ų | 62.3 | 17% | 0.168 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.5 | -38.8 | 174.6 | -70 | 177.7 | 0 | 0 | 0 | 111.4 | R25 I26 G27 N32 V33 T48 L51 V52 L55 | R25-L29 WeakPolarHBondContact O-CG 3.3Å; R25-L29 PolarHBondContact O-N 3.07Å; R25-L29 VanDerWaalsContact O-N 3.08Å; I26-L29 PolarHBondContact O-N 3.11Å; I26-L29 VanDerWaalsContact O-N 3.1Å; G27-L29 VanDerWaalsContact C-N 3.33Å; G27-L29 PolarHBondContact O-N 3.03Å; L29-N32 WeakPolarHBondContact O-CB 3.43Å; L29-N32 PolarHBondContact O-N 3.26Å; L29-V33 WeakPolarHBondContact O-CG2 3.42Å; L29-V33 PolarHBondContact O-N 2.94Å; L29-T48 HydrophobicContact CB-CG2 4.28Å; L29-T48 HydrophobicContact CD2-CG2 4.01Å; L29-L51 HydrophobicContact CD1-CB 4.1Å; L29-V52 HydrophobicContact CB-CG2 3.5Å; L29-V52 VanDerWaalsContact CB-CG2 3.5Å; L29-V52 HydrophobicContact CD1-CG2 3.89Å; L29-V52 HydrophobicContact CG-CG2 4.36Å; L29-L55 HydrophobicContact CD1-CD1 3.66Å |
| 30 | L | 98.2 | Very high | 96.8 | Very high | 26 Ų | 26 | 63.3 Ų | 63.3 | 14% | 0.136 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.7 | -38.8 | 175.8 | -67.5 | 176.7 | 0 | 0 | 0 | 112.1 | I26 G27 N32 V33 E34 L49 V52 A89 V90 A93 | I26-L30 HydrophobicContact CG2-CD1 4Å; I26-L30 HydrophobicContact CG2-CG 4.23Å; I26-L30 WeakPolarHBondContact O-CG 3.36Å; I26-L30 PolarHBondContact O-N 3.4Å; G27-L30 PolarHBondContact O-N 2.84Å; G27-L30 VanDerWaalsContact O-N 3.14Å; L30-N32 VanDerWaalsContact C-N 3.33Å; L30-V33 WeakPolarHBondContact O-CB 3.24Å; L30-V33 PolarHBondContact O-N 3.42Å; L30-E34 PolarHBondContact O-N 2.6Å; L30-L49 HydrophobicContact CD2-CD2 4.47Å; L30-V52 HydrophobicContact CD2-CG1 4.26Å; L30-V52 HydrophobicContact CD2-CG2 4.31Å; L30-A89 HydrophobicContact CD1-CB 3.98Å; L30-V90 HydrophobicContact CD1-CG2 4.18Å; L30-V90 HydrophobicContact CD2-CG2 4.27Å; L30-A93 HydrophobicContact CD2-CB 3.62Å |
| 31 | E | 98.1 | Very high | 96.9 | Very high | 130 Ų | 130 | 64.4 Ų | 64.4 | 61% | 0.607 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -59.8 | -43.5 | 170.6 | -70.6 | 168.1 | -173.5 | 0 | 0 | 111.3 | G27 E34 R35 | G27-E31 WeakPolarHBondContact O-CG 3.49Å; G27-E31 PolarHBondContact O-N 2.67Å; E31-E34 PolarHBondContact O-N 3.3Å; E31-R35 PolarHBondContact O-N 2.97Å |
| 32 | N | 97.8 | Very high | 96.6 | Very high | 46 Ų | 46 | 63.2 Ų | 63.2 | 25% | 0.246 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 174.6 | -72.4 | -29.2 | 0 | 0 | 0 | 112.3 | R28 L29 L30 E34 R35 F36 T48 | R28-N32 PolarHBondContact O-N 2.99Å; R28-N32 VanDerWaalsContact O-N 3.08Å; R28-N32 PolarHBondContact O-ND2 3.48Å; L29-N32 WeakPolarHBondContact O-CB 3.43Å; L29-N32 PolarHBondContact O-N 3.26Å; L30-N32 VanDerWaalsContact C-N 3.33Å; N32-E34 VanDerWaalsContact C-N 3.33Å; N32-E34 PolarHBondContact O-N 3.49Å; N32-R35 WeakPolarHBondContact O-CB 3.49Å; N32-R35 PolarHBondContact O-N 3.01Å; N32-R35 VanDerWaalsContact OD1-CZ 3.28Å; N32-R35 PolarHBondContact OD1-NH1 2.9Å; N32-R35 PolarHBondContact OD1-NH2 3.25Å; N32-R35 VanDerWaalsContact OD1-NH2 3.11Å; N32-F36 HydrophobicContact CB-CD2 4.33Å; N32-F36 HydrophobicContact CB-CE2 3.87Å; N32-F36 HydrophobicContact CB-CZ 4.48Å; N32-F36 WeakPolarHBondContact O-CD2 3.23Å; N32-F36 VanDerWaalsContact O-CG 3.23Å; N32-F36 WeakPolarHBondContact O-CG 3.02Å; N32-F36 PolarHBondContact O-N 3.26Å; N32-T48 HydrophobicContact CB-CG2 4.48Å |
| 33 | V | 97.8 | Very high | 96.5 | Very high | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.006 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.5 | -46.2 | 175.5 | 168.8 | 0 | 0 | 0 | 0 | 110.6 | L29 L30 R35 F36 I37 A45 T48 L49 A93 | L29-V33 WeakPolarHBondContact O-CG2 3.42Å; L29-V33 PolarHBondContact O-N 2.94Å; L30-V33 WeakPolarHBondContact O-CB 3.24Å; L30-V33 PolarHBondContact O-N 3.42Å; V33-R35 VanDerWaalsContact C-N 3.34Å; V33-R35 PolarHBondContact O-N 2.94Å; V33-F36 PolarHBondContact O-N 3.1Å; V33-I37 HydrophobicContact CG1-CD1 3.83Å; V33-I37 WeakPolarHBondContact O-CD1 3.4Å; V33-I37 VanDerWaalsContact O-CG1 3.24Å; V33-I37 WeakPolarHBondContact O-CG1 3.43Å; V33-I37 PolarHBondContact O-N 3.48Å; V33-A45 HydrophobicContact CG1-CB 4.28Å; V33-T48 HydrophobicContact CG2-CG2 3.62Å; V33-L49 HydrophobicContact CG1-CD1 4.19Å; V33-L49 HydrophobicContact CG1-CD2 4.24Å; V33-L49 HydrophobicContact CG1-CG 4.1Å; V33-L49 HydrophobicContact CG2-CD2 4.04Å; V33-L49 HydrophobicContact CG2-CG 3.85Å; V33-A93 HydrophobicContact CG1-CB 4.19Å |
| 34 | E | 97.1 | Very high | 96.4 | Very high | 99 Ų | 99 | 64.7 Ų | 64.7 | 46% | 0.463 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.3 | -39.3 | 177.2 | -176 | 153.8 | -127.1 | 0 | 0 | 112.3 | L30 E31 N32 S38 K96 | L30-E34 PolarHBondContact O-N 2.6Å; E31-E34 PolarHBondContact O-N 3.3Å; N32-E34 VanDerWaalsContact C-N 3.33Å; N32-E34 PolarHBondContact O-N 3.49Å; E34-S38 WeakPolarHBondContact O-CB 3.47Å; E34-S38 PolarHBondContact O-N 3.36Å; E34-S38 VanDerWaalsContact O-N 3.09Å; E34-S38 PolarHBondContact O-OG 3.05Å; E34-K96 IonicContact OE1-NZ 3.33Å; E34-K96 PolarHBondContact OE1-NZ 2.9Å |
| 35 | R | 97.9 | Very high | 96.4 | Very high | 112 Ų | 112 | 61.3 Ų | 61.3 | 42% | 0.423 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.3 | -51.5 | 172.4 | -172.7 | -176.5 | 69.7 | -131 | -9.7 | 111.6 | E31 N32 V33 I37 S38 E39 | E31-R35 PolarHBondContact O-N 2.97Å; N32-R35 WeakPolarHBondContact O-CB 3.49Å; N32-R35 PolarHBondContact O-N 3.01Å; N32-R35 VanDerWaalsContact OD1-CZ 3.28Å; N32-R35 PolarHBondContact OD1-NH1 2.9Å; N32-R35 PolarHBondContact OD1-NH2 3.25Å; N32-R35 VanDerWaalsContact OD1-NH2 3.11Å; V33-R35 VanDerWaalsContact C-N 3.34Å; V33-R35 PolarHBondContact O-N 2.94Å; R35-I37 VanDerWaalsContact C-N 3.33Å; R35-I37 PolarHBondContact O-N 3.14Å; R35-S38 CarbonylContact O-C 3.51Å; R35-S38 WeakPolarHBondContact O-CA 3.49Å; R35-S38 WeakPolarHBondContact O-CB 3.4Å; R35-S38 PolarHBondContact O-N 2.94Å; R35-E39 VanDerWaalsContact CD-OE1 3.31Å; R35-E39 WeakPolarHBondContact CD-OE1 3.31Å; R35-E39 HydrophobicContact CG-CG 4.3Å; R35-E39 WeakPolarHBondContact CG-OE1 3.49Å; R35-E39 IonicContact NE-OE1 3.96Å; R35-E39 IonicContact NE-OE2 2.76Å; R35-E39 WeakPolarHBondContact O-CG 3.28Å; R35-E39 PolarHBondContact O-N 3.31Å |
| 36 | F | 96.7 | Very high | 96.2 | Very high | 31 Ų | 31 | 59 Ų | 59 | 14% | 0.136 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.9 | -38.1 | -179.3 | -65.8 | -44.6 | 0 | 0 | 0 | 112.8 | N32 V33 S38 E39 G40 Q41 V44 A45 T48 | N32-F36 HydrophobicContact CB-CD2 4.33Å; N32-F36 HydrophobicContact CB-CE2 3.87Å; N32-F36 HydrophobicContact CB-CZ 4.48Å; N32-F36 WeakPolarHBondContact O-CD2 3.23Å; N32-F36 VanDerWaalsContact O-CG 3.23Å; N32-F36 WeakPolarHBondContact O-CG 3.02Å; N32-F36 PolarHBondContact O-N 3.26Å; V33-F36 PolarHBondContact O-N 3.1Å; F36-S38 VanDerWaalsContact C-N 3.32Å; F36-S38 PolarHBondContact O-N 3.31Å; F36-E39 PolarHBondContact O-N 3.46Å; F36-G40 PolarHBondContact O-N 3.11Å; F36-Q41 HydrophobicContact CB-CB 4.38Å; F36-Q41 CarbonylContact O-C 3.59Å; F36-Q41 WeakPolarHBondContact O-CA 3.18Å; F36-Q41 PolarHBondContact O-N 3.09Å; F36-V44 HydrophobicContact CD1-CB 4.45Å; F36-V44 HydrophobicContact CD1-CG1 3.95Å; F36-V44 HydrophobicContact CD2-CB 4.48Å; F36-V44 HydrophobicContact CD2-CG1 3.83Å; F36-V44 HydrophobicContact CE1-CG1 3.88Å; F36-V44 HydrophobicContact CE2-CG1 3.76Å; F36-V44 HydrophobicContact CG-CB 4.29Å; F36-V44 HydrophobicContact CG-CG1 3.93Å; F36-V44 HydrophobicContact CZ-CG1 3.78Å; F36-A45 HydrophobicContact CB-CB 3.86Å; F36-T48 HydrophobicContact CE2-CG2 4.4Å; F36-T48 VanDerWaalsContact CE2-OG1 3.28Å; F36-T48 WeakPolarHBondContact CE2-OG1 3.45Å |
| 37 | I | 95.3 | Very high | 96.1 | Very high | 38 Ų | 38 | 64.9 Ų | 64.9 | 20% | 0.195 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 173 | -70 | 165.8 | 0 | 0 | 0 | 110.7 | V33 R35 G40 A45 K96 A97 A100 | V33-I37 HydrophobicContact CG1-CD1 3.83Å; V33-I37 WeakPolarHBondContact O-CD1 3.4Å; V33-I37 VanDerWaalsContact O-CG1 3.24Å; V33-I37 WeakPolarHBondContact O-CG1 3.43Å; V33-I37 PolarHBondContact O-N 3.48Å; R35-I37 VanDerWaalsContact C-N 3.33Å; R35-I37 PolarHBondContact O-N 3.14Å; I37-G40 PolarHBondContact O-N 3.21Å; I37-A45 HydrophobicContact CD1-CB 4.49Å; I37-A45 HydrophobicContact CG1-CB 3.76Å; I37-K96 HydrophobicContact CD1-CB 3.84Å; I37-A97 HydrophobicContact CD1-CB 3.98Å; I37-A97 HydrophobicContact CG1-CB 4.42Å; I37-A100 HydrophobicContact CG2-CB 3.87Å |
| 38 | S | 94.7 | Very high | 96.1 | Very high | 100 Ų | 100 | 64.4 Ų | 64.4 | 70% | 0.699 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -69.7 | -33.5 | -179.2 | -56 | 0 | 0 | 0 | 0 | 112.5 | E34 R35 F36 G40 | E34-S38 WeakPolarHBondContact O-CB 3.47Å; E34-S38 PolarHBondContact O-N 3.36Å; E34-S38 VanDerWaalsContact O-N 3.09Å; E34-S38 PolarHBondContact O-OG 3.05Å; R35-S38 CarbonylContact O-C 3.51Å; R35-S38 WeakPolarHBondContact O-CA 3.49Å; R35-S38 WeakPolarHBondContact O-CB 3.4Å; R35-S38 PolarHBondContact O-N 2.94Å; F36-S38 VanDerWaalsContact C-N 3.32Å; F36-S38 PolarHBondContact O-N 3.31Å; S38-G40 PolarHBondContact O-N 3.08Å |
| 39 | E | 95.6 | Very high | 96.1 | Very high | 110 Ų | 110 | 57.5 Ų | 57.5 | 51% | 0.514 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 1.1 | 175.3 | -70.2 | 170.9 | 176.7 | 0 | 0 | 113.1 | R35 F36 Q41 | R35-E39 VanDerWaalsContact CD-OE1 3.31Å; R35-E39 WeakPolarHBondContact CD-OE1 3.31Å; R35-E39 HydrophobicContact CG-CG 4.3Å; R35-E39 WeakPolarHBondContact CG-OE1 3.49Å; R35-E39 IonicContact NE-OE1 3.96Å; R35-E39 IonicContact NE-OE2 2.76Å; R35-E39 WeakPolarHBondContact O-CG 3.28Å; R35-E39 PolarHBondContact O-N 3.31Å; F36-E39 PolarHBondContact O-N 3.46Å; E39-Q41 VanDerWaalsContact C-N 3.34Å; E39-Q41 HydrophobicContact CB-CG 4.47Å |
| 40 | G | 93 | Very high | 96 | Very high | 45 Ų | 45 | 62.2 Ų | 62.2 | 46% | 0.464 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | 23.3 | 179 | 0 | 0 | 0 | 0 | 0 | 114 | F36 I37 S38 P42 | F36-G40 PolarHBondContact O-N 3.11Å; I37-G40 PolarHBondContact O-N 3.21Å; S38-G40 PolarHBondContact O-N 3.08Å; G40-P42 WeakPolarHBondContact O-CD 3.5Å |
| 41 | Q | 94 | Very high | 95.9 | Very high | 80 Ų | 80 | 65.8 Ų | 65.8 | 37% | 0.374 | 34% | 0.337 | S | S | . | . | trans | -109.5 | 61.6 | 178.3 | -59.4 | -175.8 | -41.7 | 0 | 0 | 111.4 | F36 E39 E43 V44 A45 | F36-Q41 HydrophobicContact CB-CB 4.38Å; F36-Q41 CarbonylContact O-C 3.59Å; F36-Q41 WeakPolarHBondContact O-CA 3.18Å; F36-Q41 PolarHBondContact O-N 3.09Å; E39-Q41 VanDerWaalsContact C-N 3.34Å; E39-Q41 HydrophobicContact CB-CG 4.47Å; Q41-E43 PolarHBondContact O-N 2.78Å; Q41-V44 HydrophobicContact CB-CB 4.14Å; Q41-V44 HydrophobicContact CB-CG2 4.05Å; Q41-V44 PolarHBondContact O-N 3.29Å; Q41-A45 PolarHBondContact O-N 3.39Å | ||
| 42 | P | 92.3 | Very high | 95.9 | Very high | 6 Ų | 6 | 59.6 Ų | 59.6 | 4% | 0.039 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.3 | -26.8 | -177.8 | 28.3 | -35.3 | 0 | 0 | 0 | 112.9 | G40 A45 L46 A100 K104 | G40-P42 WeakPolarHBondContact O-CD 3.5Å; P42-A45 WeakPolarHBondContact O-CB 3.39Å; P42-A45 PolarHBondContact O-N 2.93Å; P42-L46 VanDerWaalsContact O-CG 3.3Å; P42-L46 WeakPolarHBondContact O-CG 3.49Å; P42-L46 PolarHBondContact O-N 3.41Å; P42-A100 HydrophobicContact CB-CB 4.02Å; P42-K104 HydrophobicContact CG-CD 4.24Å |
| 43 | E | 93.1 | Very high | 95.8 | Very high | 91 Ų | 91 | 60.4 Ų | 60.4 | 43% | 0.425 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.5 | -46.7 | 177 | -58 | 81.9 | -177.9 | 0 | 0 | 110.9 | Q41 A45 L46 E47 K104 | Q41-E43 PolarHBondContact O-N 2.78Å; E43-A45 VanDerWaalsContact C-N 3.29Å; E43-A45 PolarHBondContact O-N 3.37Å; E43-L46 WeakPolarHBondContact O-CB 3.42Å; E43-L46 PolarHBondContact O-N 3.48Å; E43-L46 VanDerWaalsContact O-N 3.11Å; E43-E47 PolarHBondContact O-N 2.83Å; E43-K104 IonicContact OE1-NZ 3.75Å; E43-K104 PolarHBondContact OE1-NZ 2.97Å; E43-K104 IonicContact OE2-NZ 2.89Å; E43-K104 PolarHBondContact OE2-NZ 3.05Å; E43-K104 VanDerWaalsContact OE2-NZ 3.13Å |
| 44 | V | 95.5 | Very high | 95.8 | Very high | 47 Ų | 47 | 63.8 Ų | 63.8 | 29% | 0.285 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.1 | -36.2 | 174.6 | -174.4 | 0 | 0 | 0 | 0 | 111.2 | F36 Q41 L46 E47 T48 | F36-V44 HydrophobicContact CD1-CB 4.45Å; F36-V44 HydrophobicContact CD1-CG1 3.95Å; F36-V44 HydrophobicContact CD2-CB 4.48Å; F36-V44 HydrophobicContact CD2-CG1 3.83Å; F36-V44 HydrophobicContact CE1-CG1 3.88Å; F36-V44 HydrophobicContact CE2-CG1 3.76Å; F36-V44 HydrophobicContact CG-CB 4.29Å; F36-V44 HydrophobicContact CG-CG1 3.93Å; F36-V44 HydrophobicContact CZ-CG1 3.78Å; Q41-V44 HydrophobicContact CB-CB 4.14Å; Q41-V44 HydrophobicContact CB-CG2 4.05Å; Q41-V44 PolarHBondContact O-N 3.29Å; V44-L46 VanDerWaalsContact C-N 3.32Å; V44-L46 PolarHBondContact O-N 3.37Å; V44-E47 PolarHBondContact O-N 2.87Å; V44-T48 WeakPolarHBondContact O-CB 3.27Å; V44-T48 PolarHBondContact O-N 3.04Å; V44-T48 PolarHBondContact O-OG1 3.35Å |
| 45 | A | 96.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.3 | -38.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | V33 F36 I37 Q41 P42 E43 L49 A97 | V33-A45 HydrophobicContact CG1-CB 4.28Å; F36-A45 HydrophobicContact CB-CB 3.86Å; I37-A45 HydrophobicContact CD1-CB 4.49Å; I37-A45 HydrophobicContact CG1-CB 3.76Å; Q41-A45 PolarHBondContact O-N 3.39Å; P42-A45 WeakPolarHBondContact O-CB 3.39Å; P42-A45 PolarHBondContact O-N 2.93Å; E43-A45 VanDerWaalsContact C-N 3.29Å; E43-A45 PolarHBondContact O-N 3.37Å; A45-L49 VanDerWaalsContact O-CG 3.3Å; A45-L49 WeakPolarHBondContact O-CG 3.47Å; A45-L49 PolarHBondContact O-N 2.93Å; A45-L49 VanDerWaalsContact O-N 3.08Å; A45-A97 HydrophobicContact CB-CB 4.4Å |
| 46 | L | 94.7 | Very high | 95.7 | Very high | 70 Ų | 70 | 54.8 Ų | 54.8 | 37% | 0.366 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -69.1 | -44.4 | 176.4 | -71.5 | 169.4 | 0 | 0 | 0 | 111.9 | P42 E43 V44 T48 L49 E50 A97 | P42-L46 VanDerWaalsContact O-CG 3.3Å; P42-L46 WeakPolarHBondContact O-CG 3.49Å; P42-L46 PolarHBondContact O-N 3.41Å; E43-L46 WeakPolarHBondContact O-CB 3.42Å; E43-L46 PolarHBondContact O-N 3.48Å; E43-L46 VanDerWaalsContact O-N 3.11Å; V44-L46 VanDerWaalsContact C-N 3.32Å; V44-L46 PolarHBondContact O-N 3.37Å; L46-T48 VanDerWaalsContact C-N 3.28Å; L46-T48 PolarHBondContact O-N 3.35Å; L46-L49 HydrophobicContact CD2-CD1 4.34Å; L46-L49 WeakPolarHBondContact O-CA 3.42Å; L46-L49 WeakPolarHBondContact O-CB 3.47Å; L46-L49 PolarHBondContact O-N 3.44Å; L46-E50 PolarHBondContact O-N 3.42Å; L46-A97 HydrophobicContact CD2-CB 3.89Å; L46-A97 HydrophobicContact CG-CB 4.35Å |
| 47 | E | 95.8 | Very high | 95.7 | Very high | 123 Ų | 123 | 58.9 Ų | 58.9 | 58% | 0.575 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -59.2 | -41.1 | 174 | -69.3 | 173.8 | -172.6 | 0 | 0 | 111.5 | E43 V44 L49 E50 L51 | E43-E47 PolarHBondContact O-N 2.83Å; V44-E47 PolarHBondContact O-N 2.87Å; E47-L49 VanDerWaalsContact C-N 3.26Å; E47-L49 PolarHBondContact O-N 3.39Å; E47-E50 WeakPolarHBondContact O-CB 3.46Å; E47-E50 PolarHBondContact O-N 2.93Å; E47-E50 VanDerWaalsContact O-N 3.14Å; E47-L51 PolarHBondContact O-N 3.04Å |
| 48 | T | 97.3 | Very high | 95.6 | Very high | 14 Ų | 14 | 61.1 Ų | 61.1 | 9% | 0.086 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.5 | -33.2 | 176 | -54.9 | 0 | 0 | 0 | 0 | 111.7 | L29 N32 V33 F36 V44 L46 E50 L51 V52 | L29-T48 HydrophobicContact CB-CG2 4.28Å; L29-T48 HydrophobicContact CD2-CG2 4.01Å; N32-T48 HydrophobicContact CB-CG2 4.48Å; V33-T48 HydrophobicContact CG2-CG2 3.62Å; F36-T48 HydrophobicContact CE2-CG2 4.4Å; F36-T48 VanDerWaalsContact CE2-OG1 3.28Å; F36-T48 WeakPolarHBondContact CE2-OG1 3.45Å; V44-T48 WeakPolarHBondContact O-CB 3.27Å; V44-T48 PolarHBondContact O-N 3.04Å; V44-T48 PolarHBondContact O-OG1 3.35Å; L46-T48 VanDerWaalsContact C-N 3.28Å; L46-T48 PolarHBondContact O-N 3.35Å; T48-E50 VanDerWaalsContact C-N 3.31Å; T48-E50 PolarHBondContact O-N 3.22Å; T48-L51 WeakPolarHBondContact O-CB 3.33Å; T48-L51 PolarHBondContact O-N 3.35Å; T48-V52 WeakPolarHBondContact O-CG2 3.49Å; T48-V52 PolarHBondContact O-N 3.09Å; T48-V52 VanDerWaalsContact O-N 3.09Å |
| 49 | L | 97.3 | Very high | 95.6 | Very high | 6 Ų | 6 | 56.5 Ų | 56.5 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.9 | -26.1 | 175.3 | -76.2 | 164.2 | 0 | 0 | 0 | 113.1 | L30 V33 A45 L46 E47 V52 D53 A93 K94 A97 | L30-L49 HydrophobicContact CD2-CD2 4.47Å; V33-L49 HydrophobicContact CG1-CD1 4.19Å; V33-L49 HydrophobicContact CG1-CD2 4.24Å; V33-L49 HydrophobicContact CG1-CG 4.1Å; V33-L49 HydrophobicContact CG2-CD2 4.04Å; V33-L49 HydrophobicContact CG2-CG 3.85Å; A45-L49 VanDerWaalsContact O-CG 3.3Å; A45-L49 WeakPolarHBondContact O-CG 3.47Å; A45-L49 PolarHBondContact O-N 2.93Å; A45-L49 VanDerWaalsContact O-N 3.08Å; L46-L49 HydrophobicContact CD2-CD1 4.34Å; L46-L49 WeakPolarHBondContact O-CA 3.42Å; L46-L49 WeakPolarHBondContact O-CB 3.47Å; L46-L49 PolarHBondContact O-N 3.44Å; E47-L49 VanDerWaalsContact C-N 3.26Å; E47-L49 PolarHBondContact O-N 3.39Å; L49-V52 WeakPolarHBondContact O-CB 3.46Å; L49-V52 PolarHBondContact O-N 2.94Å; L49-D53 PolarHBondContact O-N 3.49Å; L49-A93 HydrophobicContact CD2-CB 4.01Å; L49-K94 HydrophobicContact CD1-CB 4.43Å; L49-K94 HydrophobicContact CD1-CG 4.02Å; L49-K94 HydrophobicContact CD2-CG 3.88Å; L49-K94 HydrophobicContact CG-CG 4.4Å; L49-A97 HydrophobicContact CD1-CB 3.48Å; L49-A97 VanDerWaalsContact CD1-CB 3.48Å |
| 50 | E | 96.5 | Very high | 95.6 | Very high | 131 Ų | 131 | 56.4 Ų | 56.4 | 61% | 0.612 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -68 | -37.7 | 172.7 | -62.5 | 179 | 173.3 | 0 | 0 | 111.5 | L46 E47 T48 V52 D53 T54 | L46-E50 PolarHBondContact O-N 3.42Å; E47-E50 WeakPolarHBondContact O-CB 3.46Å; E47-E50 PolarHBondContact O-N 2.93Å; E47-E50 VanDerWaalsContact O-N 3.14Å; T48-E50 VanDerWaalsContact C-N 3.31Å; T48-E50 PolarHBondContact O-N 3.22Å; E50-V52 VanDerWaalsContact C-N 3.34Å; E50-D53 PolarHBondContact O-N 3.35Å; E50-T54 PolarHBondContact O-N 2.96Å; E50-T54 VanDerWaalsContact O-N 3.11Å; E50-T54 PolarHBondContact O-OG1 3.3Å; E50-T54 VanDerWaalsContact O-OG1 3.1Å |
| 51 | L | 96.4 | Very high | 95.6 | Very high | 102 Ų | 102 | 59.2 Ų | 59.2 | 53% | 0.534 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.7 | -39.1 | 171.5 | -61.9 | 178.1 | 0 | 0 | 0 | 111.6 | L29 E47 T48 D53 T54 L55 | L29-L51 HydrophobicContact CD1-CB 4.1Å; E47-L51 PolarHBondContact O-N 3.04Å; T48-L51 WeakPolarHBondContact O-CB 3.33Å; T48-L51 PolarHBondContact O-N 3.35Å; L51-D53 VanDerWaalsContact C-N 3.32Å; L51-D53 PolarHBondContact O-N 3.49Å; L51-T54 PolarHBondContact O-N 2.82Å; L51-L55 PolarHBondContact O-N 3.08Å; L51-L55 VanDerWaalsContact O-N 3.08Å |
| 52 | V | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.9 | -43.5 | 173.3 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | I26 L29 L30 T48 L49 E50 T54 L55 L56 V90 | I26-V52 HydrophobicContact CG2-CG1 4.17Å; L29-V52 HydrophobicContact CB-CG2 3.5Å; L29-V52 VanDerWaalsContact CB-CG2 3.5Å; L29-V52 HydrophobicContact CD1-CG2 3.89Å; L29-V52 HydrophobicContact CG-CG2 4.36Å; L30-V52 HydrophobicContact CD2-CG1 4.26Å; L30-V52 HydrophobicContact CD2-CG2 4.31Å; T48-V52 WeakPolarHBondContact O-CG2 3.49Å; T48-V52 PolarHBondContact O-N 3.09Å; T48-V52 VanDerWaalsContact O-N 3.09Å; L49-V52 WeakPolarHBondContact O-CB 3.46Å; L49-V52 PolarHBondContact O-N 2.94Å; E50-V52 VanDerWaalsContact C-N 3.34Å; V52-T54 VanDerWaalsContact C-N 3.33Å; V52-T54 PolarHBondContact O-N 3.47Å; V52-L55 PolarHBondContact O-N 3.26Å; V52-L56 VanDerWaalsContact O-CB 3.27Å; V52-L56 WeakPolarHBondContact O-CB 3.3Å; V52-L56 PolarHBondContact O-N 3.44Å; V52-V90 HydrophobicContact CG1-CB 4.34Å; V52-V90 HydrophobicContact CG1-CG1 3.75Å; V52-V90 HydrophobicContact CG1-CG2 3.64Å |
| 53 | D | 97 | Very high | 95.5 | Very high | 62 Ų | 62 | 55.6 Ų | 55.6 | 33% | 0.332 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.5 | -40.3 | 178.9 | -79.6 | -19.3 | 0 | 0 | 0 | 112.7 | L49 E50 L51 L56 M57 K94 | L49-D53 PolarHBondContact O-N 3.49Å; E50-D53 PolarHBondContact O-N 3.35Å; L51-D53 VanDerWaalsContact C-N 3.32Å; L51-D53 PolarHBondContact O-N 3.49Å; D53-L56 PolarHBondContact O-N 3.3Å; D53-M57 PolarHBondContact O-N 2.85Å; D53-K94 WeakPolarHBondContact OD1-CE 3.36Å; D53-K94 IonicContact OD1-NZ 3.13Å; D53-K94 PolarHBondContact OD1-NZ 3.38Å; D53-K94 WeakPolarHBondContact OD2-CE 3.5Å; D53-K94 IonicContact OD2-NZ 2.6Å; D53-K94 PolarHBondContact OD2-NZ 3.4Å |
| 54 | T | 96.7 | Very high | 95.3 | Very high | 73 Ų | 73 | 55.2 Ų | 55.2 | 45% | 0.448 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.9 | -48.1 | 175.6 | -55.9 | 0 | 0 | 0 | 0 | 111.1 | E50 L51 V52 L56 M57 E58 | E50-T54 PolarHBondContact O-N 2.96Å; E50-T54 VanDerWaalsContact O-N 3.11Å; E50-T54 PolarHBondContact O-OG1 3.3Å; E50-T54 VanDerWaalsContact O-OG1 3.1Å; L51-T54 PolarHBondContact O-N 2.82Å; V52-T54 VanDerWaalsContact C-N 3.33Å; V52-T54 PolarHBondContact O-N 3.47Å; T54-L56 VanDerWaalsContact C-N 3.33Å; T54-L56 PolarHBondContact O-N 3.36Å; T54-M57 WeakPolarHBondContact O-CB 3.43Å; T54-M57 PolarHBondContact O-N 3.22Å; T54-E58 PolarHBondContact O-N 2.8Å |
| 55 | L | 96.5 | Very high | 95.1 | Very high | 14 Ų | 14 | 56.5 Ų | 56.5 | 7% | 0.073 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -69.6 | -30.3 | 178.3 | -66.1 | -176.3 | 0 | 0 | 0 | 113 | L22 R25 I26 L29 L51 V52 M57 E58 F59 | L22-L55 HydrophobicContact CD2-CD2 4.14Å; R25-L55 HydrophobicContact CB-CD1 3.91Å; I26-L55 HydrophobicContact CD1-CB 4.17Å; I26-L55 HydrophobicContact CG1-CB 3.73Å; I26-L55 HydrophobicContact CG1-CD1 4.4Å; L29-L55 HydrophobicContact CD1-CD1 3.66Å; L51-L55 PolarHBondContact O-N 3.08Å; L51-L55 VanDerWaalsContact O-N 3.08Å; V52-L55 PolarHBondContact O-N 3.26Å; L55-M57 VanDerWaalsContact C-N 3.33Å; L55-E58 PolarHBondContact O-N 3.08Å; L55-F59 WeakPolarHBondContact O-CB 3.46Å; L55-F59 PolarHBondContact O-N 3.5Å |
| 56 | L | 96.3 | Very high | 94.7 | Very high | 8 Ų | 8 | 56.6 Ų | 56.6 | 4% | 0.042 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.1 | -36.2 | 176.4 | -174.1 | 64.7 | 0 | 0 | 0 | 111.1 | I26 V52 D53 T54 F59 R60 L86 E87 V90 | I26-L56 HydrophobicContact CD1-CD1 4.43Å; V52-L56 VanDerWaalsContact O-CB 3.27Å; V52-L56 WeakPolarHBondContact O-CB 3.3Å; V52-L56 PolarHBondContact O-N 3.44Å; D53-L56 PolarHBondContact O-N 3.3Å; T54-L56 VanDerWaalsContact C-N 3.33Å; T54-L56 PolarHBondContact O-N 3.36Å; L56-F59 PolarHBondContact O-N 3.26Å; L56-R60 WeakPolarHBondContact O-CG 3.42Å; L56-R60 PolarHBondContact O-N 3.37Å; L56-L86 HydrophobicContact CD1-CD2 4.43Å; L56-E87 HydrophobicContact CD1-CG 4.31Å; L56-V90 HydrophobicContact CD2-CB 4.42Å; L56-V90 HydrophobicContact CD2-CG1 4.2Å; L56-V90 HydrophobicContact CD2-CG2 4.32Å |
| 57 | M | 96.2 | Very high | 94.3 | Very high | 116 Ų | 116 | 56.1 Ų | 56.1 | 57% | 0.571 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -61.7 | -49.9 | 171.9 | -171.6 | 173.6 | 65.2 | 0 | 0 | 111 | D53 T54 L55 F59 R60 D61 | D53-M57 PolarHBondContact O-N 2.85Å; T54-M57 WeakPolarHBondContact O-CB 3.43Å; T54-M57 PolarHBondContact O-N 3.22Å; L55-M57 VanDerWaalsContact C-N 3.33Å; M57-F59 VanDerWaalsContact C-N 3.27Å; M57-F59 PolarHBondContact O-N 3.46Å; M57-R60 PolarHBondContact O-N 3.18Å; M57-R60 VanDerWaalsContact O-N 3.17Å; M57-D61 PolarHBondContact O-N 2.87Å; M57-D61 VanDerWaalsContact O-N 3.11Å |
| 58 | E | 95 | Very high | 93.9 | Very high | 86 Ų | 86 | 56.9 Ų | 56.9 | 40% | 0.402 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59 | -38.3 | 174.6 | -68.4 | -178 | -174 | 0 | 0 | 112.3 | L22 T54 L55 D61 V62 | L22-E58 HydrophobicContact CD1-CB 4.15Å; L22-E58 HydrophobicContact CD2-CB 4.08Å; L22-E58 WeakPolarHBondContact CD2-OE2 3.32Å; T54-E58 PolarHBondContact O-N 2.8Å; L55-E58 PolarHBondContact O-N 3.08Å; E58-D61 PolarHBondContact O-N 3.4Å; E58-V62 WeakPolarHBondContact O-CG2 3.33Å; E58-V62 PolarHBondContact O-N 3Å; E58-V62 VanDerWaalsContact O-N 3.11Å |
| 59 | F | 94.7 | Very high | 93.4 | Very high | 3 Ų | 3 | 61.8 Ų | 61.8 | 1% | 0.013 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.6 | -43.6 | 177.1 | 179.1 | -88.4 | 0 | 0 | 0 | 111.7 | R19 L22 R23 I26 L55 L56 M57 D61 V62 Q63 L86 | R19-F59 HydrophobicContact CG-CD2 4.11Å; R19-F59 HydrophobicContact CG-CE2 3.46Å; R19-F59 VanDerWaalsContact CG-CE2 3.46Å; R19-F59 HydrophobicContact CG-CZ 4.03Å; L22-F59 HydrophobicContact CB-CB 4.33Å; L22-F59 HydrophobicContact CB-CD2 3.98Å; L22-F59 HydrophobicContact CD1-CB 4.45Å; R23-F59 HydrophobicContact CB-CD2 4.49Å; R23-F59 HydrophobicContact CB-CE2 4Å; I26-F59 HydrophobicContact CD1-CB 4.01Å; I26-F59 HydrophobicContact CD1-CG 4.39Å; L55-F59 WeakPolarHBondContact O-CB 3.46Å; L55-F59 PolarHBondContact O-N 3.5Å; L56-F59 PolarHBondContact O-N 3.26Å; M57-F59 VanDerWaalsContact C-N 3.27Å; M57-F59 PolarHBondContact O-N 3.46Å; F59-D61 VanDerWaalsContact C-N 3.34Å; F59-D61 PolarHBondContact O-N 3.08Å; F59-V62 PolarHBondContact O-N 2.97Å; F59-Q63 HydrophobicContact CE1-CB 4.27Å; F59-Q63 WeakPolarHBondContact O-CB 3.39Å; F59-Q63 PolarHBondContact O-N 2.78Å; F59-L86 HydrophobicContact CD1-CD2 3.87Å; F59-L86 HydrophobicContact CD2-CD2 3.99Å; F59-L86 HydrophobicContact CE1-CD2 3.73Å; F59-L86 HydrophobicContact CE2-CD2 3.85Å; F59-L86 HydrophobicContact CG-CD2 4.01Å; F59-L86 HydrophobicContact CZ-CD2 3.72Å |
| 60 | R | 94.4 | Very high | 92.8 | Very high | 107 Ų | 107 | 62.3 Ų | 62.3 | 40% | 0.404 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.4 | -38.7 | 177.9 | -74.5 | 169.7 | 172.5 | 175.6 | -2 | 112.2 | L56 M57 Q63 T64 E87 | L56-R60 WeakPolarHBondContact O-CG 3.42Å; L56-R60 PolarHBondContact O-N 3.37Å; M57-R60 PolarHBondContact O-N 3.18Å; M57-R60 VanDerWaalsContact O-N 3.17Å; R60-Q63 PolarHBondContact O-N 2.76Å; R60-T64 WeakPolarHBondContact O-CB 3.36Å; R60-T64 PolarHBondContact O-N 2.95Å; R60-T64 PolarHBondContact O-OG1 3.01Å; R60-E87 IonicContact CZ-OE1 2.74Å; R60-E87 IonicContact CZ-OE2 2.67Å; R60-E87 IonicContact NE-OE1 2.62Å; R60-E87 PolarHBondContact NE-OE1 3.4Å; R60-E87 IonicContact NE-OE2 3.77Å; R60-E87 IonicContact NH2-OE1 3.97Å; R60-E87 PolarHBondContact NH2-OE1 2.96Å; R60-E87 VanDerWaalsContact NH2-OE1 3.08Å; R60-E87 IonicContact NH2-OE2 3.97Å; R60-E87 PolarHBondContact NH2-OE2 3.11Å |
| 61 | D | 93.5 | Very high | 92.3 | Very high | 105 Ų | 105 | 62.5 Ų | 62.5 | 56% | 0.561 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -63.2 | -49.2 | 175.9 | -66.9 | -20.5 | 0 | 0 | 0 | 110.9 | M57 E58 F59 Q63 T64 E65 | M57-D61 PolarHBondContact O-N 2.87Å; M57-D61 VanDerWaalsContact O-N 3.11Å; E58-D61 PolarHBondContact O-N 3.4Å; F59-D61 VanDerWaalsContact C-N 3.34Å; F59-D61 PolarHBondContact O-N 3.08Å; D61-Q63 VanDerWaalsContact C-N 3.35Å; D61-Q63 PolarHBondContact O-N 3.3Å; D61-T64 PolarHBondContact O-N 3.2Å; D61-E65 PolarHBondContact O-N 3.19Å; D61-E65 VanDerWaalsContact O-N 3.09Å |
| 62 | V | 92.3 | Very high | 92 | Very high | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.018 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.8 | -37.2 | 177.7 | 177.1 | 0 | 0 | 0 | 0 | 111.9 | L15 R18 R19 L22 E58 F59 E65 F66 | L15-V62 HydrophobicContact CD2-CG1 4.38Å; R18-V62 HydrophobicContact CB-CG1 4.21Å; R19-V62 HydrophobicContact CB-CG1 3.85Å; L22-V62 HydrophobicContact CD1-CB 4.37Å; L22-V62 HydrophobicContact CD1-CG2 3.92Å; E58-V62 WeakPolarHBondContact O-CG2 3.33Å; E58-V62 PolarHBondContact O-N 3Å; E58-V62 VanDerWaalsContact O-N 3.11Å; F59-V62 PolarHBondContact O-N 2.97Å; V62-E65 PolarHBondContact O-N 3.44Å; V62-F66 WeakPolarHBondContact O-CB 3.39Å; V62-F66 PolarHBondContact O-N 3.11Å |
| 63 | Q | 91.1 | Very high | 91.6 | Very high | 6 Ų | 6 | 66.7 Ų | 66.7 | 3% | 0.028 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64 | -44.4 | 176.6 | 179 | 65.3 | 24.3 | 0 | 0 | 111 | F59 R60 D61 E65 F66 E67 E79 | F59-Q63 HydrophobicContact CE1-CB 4.27Å; F59-Q63 WeakPolarHBondContact O-CB 3.39Å; F59-Q63 PolarHBondContact O-N 2.78Å; R60-Q63 PolarHBondContact O-N 2.76Å; D61-Q63 VanDerWaalsContact C-N 3.35Å; D61-Q63 PolarHBondContact O-N 3.3Å; Q63-E65 VanDerWaalsContact C-N 3.33Å; Q63-E65 PolarHBondContact O-N 2.87Å; Q63-F66 PolarHBondContact O-N 3.45Å; Q63-E67 HydrophobicContact CG-CG 4.46Å; Q63-E67 WeakPolarHBondContact CG-OE1 3.3Å; Q63-E67 PolarHBondContact NE2-OE1 3.11Å; Q63-E67 WeakPolarHBondContact O-CB 3.44Å; Q63-E67 WeakPolarHBondContact O-CG 3.41Å; Q63-E67 PolarHBondContact O-N 3.17Å; Q63-E79 PolarHBondContact NE2-O 3.39Å |
| 64 | T | 90.5 | Very high | 91.2 | Very high | 83 Ų | 83 | 69.8 Ų | 69.8 | 51% | 0.509 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.7 | -45.5 | 176.7 | -57.4 | 0 | 0 | 0 | 0 | 110.7 | R60 D61 E67 L68 | R60-T64 WeakPolarHBondContact O-CB 3.36Å; R60-T64 PolarHBondContact O-N 2.95Å; R60-T64 PolarHBondContact O-OG1 3.01Å; D61-T64 PolarHBondContact O-N 3.2Å; T64-E67 PolarHBondContact O-N 3.07Å; T64-L68 WeakPolarHBondContact O-CG 3.36Å; T64-L68 PolarHBondContact O-N 3.41Å |
| 65 | E | 90.4 | Very high | 90.9 | Very high | 74 Ų | 74 | 70.8 Ų | 70.8 | 35% | 0.346 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.4 | -44.9 | 175.7 | -167.5 | 176.8 | -177.1 | 0 | 0 | 111.4 | L15 R18 D61 V62 Q63 E67 L68 | L15-E65 HydrophobicContact CD1-CG 3.89Å; L15-E65 HydrophobicContact CD2-CB 4.31Å; L15-E65 VanDerWaalsContact CD2-CD 3.42Å; L15-E65 HydrophobicContact CD2-CG 3.93Å; L15-E65 VanDerWaalsContact CD2-OE2 3.3Å; L15-E65 WeakPolarHBondContact CD2-OE2 3.47Å; R18-E65 IonicContact NH1-OE2 3.01Å; D61-E65 PolarHBondContact O-N 3.19Å; D61-E65 VanDerWaalsContact O-N 3.09Å; V62-E65 PolarHBondContact O-N 3.44Å; Q63-E65 VanDerWaalsContact C-N 3.33Å; Q63-E65 PolarHBondContact O-N 2.87Å; E65-E67 PolarHBondContact O-N 2.74Å; E65-L68 PolarHBondContact O-N 2.86Å |
| 66 | F | 87.6 | Confident | 90.4 | Very high | 2 Ų | 2 | 72.8 Ų | 72.8 | 1% | 0.009 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 178.5 | -170.1 | -100.8 | 0 | 0 | 0 | 112.9 | M12 L15 R16 V62 Q63 L68 W69 L70 E79 | M12-F66 HydrophobicContact CE-CD2 3.88Å; M12-F66 HydrophobicContact CE-CE2 3.57Å; M12-F66 HydrophobicContact CE-CZ 4.05Å; M12-F66 HydrophobicContact SD-CD2 4.23Å; M12-F66 HydrophobicContact SD-CE2 4.31Å; L15-F66 HydrophobicContact CB-CD2 3.87Å; R16-F66 HydrophobicContact CB-CE2 4.09Å; V62-F66 WeakPolarHBondContact O-CB 3.39Å; V62-F66 PolarHBondContact O-N 3.11Å; Q63-F66 PolarHBondContact O-N 3.45Å; F66-L68 VanDerWaalsContact C-N 3.31Å; F66-L68 PolarHBondContact O-N 3.42Å; F66-W69 PolarHBondContact O-N 3.49Å; F66-L70 HydrophobicContact CD1-CD1 3.89Å; F66-L70 HydrophobicContact CD1-CG 4.15Å; F66-L70 HydrophobicContact CE1-CD1 3.76Å; F66-L70 HydrophobicContact CE1-CD2 3.9Å; F66-L70 HydrophobicContact CE1-CG 3.98Å; F66-L70 HydrophobicContact CZ-CD2 4.19Å; F66-L70 PolarHBondContact O-N 3.31Å; F66-E79 HydrophobicContact CE1-CG 4.06Å |
| 67 | E | 86.7 | Confident | 90.2 | Very high | 60 Ų | 60 | 77 Ų | 77 | 28% | 0.28 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64 | -32.6 | 178.9 | -76.1 | 175.6 | -165.3 | 0 | 0 | 113.3 | Q63 T64 E65 W69 L70 K76 | Q63-E67 HydrophobicContact CG-CG 4.46Å; Q63-E67 WeakPolarHBondContact CG-OE1 3.3Å; Q63-E67 PolarHBondContact NE2-OE1 3.11Å; Q63-E67 WeakPolarHBondContact O-CB 3.44Å; Q63-E67 WeakPolarHBondContact O-CG 3.41Å; Q63-E67 PolarHBondContact O-N 3.17Å; T64-E67 PolarHBondContact O-N 3.07Å; E65-E67 PolarHBondContact O-N 2.74Å; E67-W69 PolarHBondContact O-N 2.95Å; E67-L70 PolarHBondContact O-N 3.33Å; E67-K76 VanDerWaalsContact O-CE 3.29Å; E67-K76 WeakPolarHBondContact O-CE 3.3Å; E67-K76 PolarHBondContact O-NZ 3.38Å |
| 68 | L | 87.2 | Confident | 89.9 | Confident | 139 Ų | 139 | 77 Ų | 77 | 73% | 0.728 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -63 | -33.3 | 175.7 | -72.6 | 171.5 | 0 | 0 | 0 | 112.1 | T64 E65 F66 | T64-L68 WeakPolarHBondContact O-CG 3.36Å; T64-L68 PolarHBondContact O-N 3.41Å; E65-L68 PolarHBondContact O-N 2.86Å; F66-L68 VanDerWaalsContact C-N 3.31Å; F66-L68 PolarHBondContact O-N 3.42Å |
| 69 | W | 86.1 | Confident | 89.6 | Confident | 118 Ų | 118 | 74.1 Ų | 74.1 | 45% | 0.447 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -88.2 | -16.3 | -179 | -69.9 | 111.7 | 0 | 0 | 0 | 114.2 | V8 M12 F66 E67 | V8-W69 HydrophobicContact CG1-CE3 4.25Å; V8-W69 HydrophobicContact CG1-CZ3 4.08Å; M12-W69 HydrophobicContact CE-CB 3.67Å; M12-W69 HydrophobicContact CG-CB 4.24Å; M12-W69 HydrophobicContact SD-CB 3.14Å; M12-W69 WeakPolarHBondContact SD-CB 3.44Å; M12-W69 HydrophobicContact SD-CG 3.62Å; F66-W69 PolarHBondContact O-N 3.49Å; E67-W69 PolarHBondContact O-N 2.95Å |
| 70 | L | 85.5 | Confident | 89.4 | Confident | 17 Ų | 17 | 78 Ų | 78 | 9% | 0.089 | 39% | 0.391 | C | S | . | . | trans | -69.5 | 135.1 | 173.4 | -69 | 175.6 | 0 | 0 | 0 | 109.8 | M12 F66 E67 L75 K76 E79 | M12-L70 HydrophobicContact CE-CD2 4.15Å; F66-L70 HydrophobicContact CD1-CD1 3.89Å; F66-L70 HydrophobicContact CD1-CG 4.15Å; F66-L70 HydrophobicContact CE1-CD1 3.76Å; F66-L70 HydrophobicContact CE1-CD2 3.9Å; F66-L70 HydrophobicContact CE1-CG 3.98Å; F66-L70 HydrophobicContact CZ-CD2 4.19Å; F66-L70 PolarHBondContact O-N 3.31Å; E67-L70 PolarHBondContact O-N 3.33Å; L70-L75 HydrophobicContact CD2-CB 4.38Å; L70-K76 HydrophobicContact CB-CD 4.27Å; L70-K76 VanDerWaalsContact CB-CE 3.49Å; L70-K76 HydrophobicContact CB-CG 3.57Å; L70-K76 HydrophobicContact CD1-CG 3.88Å; L70-K76 HydrophobicContact CG-CG 4.4Å; L70-K76 WeakPolarHBondContact O-CE 3.38Å; L70-K76 PolarHBondContact O-NZ 2.89Å; L70-E79 HydrophobicContact CD1-CB 4.23Å; L70-E79 HydrophobicContact CD1-CG 4.05Å | ||
| 71 | T | 85.7 | Confident | 89.3 | Confident | 134 Ų | 134 | 77.9 Ų | 77.9 | 82% | 0.822 | 40% | 0.395 | S | S | * | . | trans | -110.1 | -29.5 | 173.9 | 53 | 0 | 0 | 0 | 0 | 112 | ||||
| 72 | D | 90.5 | Very high | 89.2 | Confident | 71 Ų | 71 | 74.5 Ų | 74.5 | 38% | 0.38 | 38% | 0.377 | S | S | . | . | trans | -77.3 | 124.5 | 176.8 | -174.1 | -62.1 | 0 | 0 | 0 | 111 | N74 L75 K76 | D72-N74 WeakPolarHBondContact OD1-CA 3.38Å; D72-N74 WeakPolarHBondContact OD1-CB 3.43Å; D72-N74 PolarHBondContact OD1-N 3.33Å; D72-L75 HydrophobicContact CB-CB 4.03Å; D72-L75 HydrophobicContact CB-CD1 3.87Å; D72-L75 HydrophobicContact CB-CG 3.98Å; D72-L75 PolarHBondContact OD1-N 3.11Å; D72-K76 WeakPolarHBondContact O-CG 3.21Å; D72-K76 PolarHBondContact O-N 2.85Å | ||
| 73 | Q | 89.6 | Confident | 89.2 | Confident | 119 Ų | 119 | 74.9 Ų | 74.9 | 56% | 0.556 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -70.9 | -36.7 | -177.8 | -68 | -63.6 | -39.4 | 0 | 0 | 113.1 | L75 K76 D77 | Q73-L75 VanDerWaalsContact C-N 3.3Å; Q73-L75 PolarHBondContact O-N 2.87Å; Q73-K76 WeakPolarHBondContact O-CB 3.43Å; Q73-K76 PolarHBondContact O-N 3.1Å; Q73-K76 VanDerWaalsContact O-N 3.16Å; Q73-D77 PolarHBondContact O-N 3.36Å |
| 74 | N | 89.5 | Confident | 89.3 | Confident | 128 Ų | 128 | 78 Ų | 78 | 68% | 0.684 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -66.6 | -38.3 | 178.1 | -65 | -36.9 | 0 | 0 | 0 | 110.5 | D72 H78 | D72-N74 WeakPolarHBondContact OD1-CA 3.38Å; D72-N74 WeakPolarHBondContact OD1-CB 3.43Å; D72-N74 PolarHBondContact OD1-N 3.33Å; N74-H78 WeakPolarHBondContact O-CB 3.34Å; N74-H78 PolarHBondContact O-N 3.14Å |
| 75 | L | 88.8 | Confident | 89.6 | Confident | 93 Ų | 93 | 77.7 Ų | 77.7 | 49% | 0.487 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 171.9 | -68.3 | -179.9 | 0 | 0 | 0 | 110.9 | L70 D72 Q73 D77 H78 E79 | L70-L75 HydrophobicContact CD2-CB 4.38Å; D72-L75 HydrophobicContact CB-CB 4.03Å; D72-L75 HydrophobicContact CB-CD1 3.87Å; D72-L75 HydrophobicContact CB-CG 3.98Å; D72-L75 PolarHBondContact OD1-N 3.11Å; Q73-L75 VanDerWaalsContact C-N 3.3Å; Q73-L75 PolarHBondContact O-N 2.87Å; L75-D77 PolarHBondContact O-N 2.97Å; L75-H78 PolarHBondContact O-N 3.38Å; L75-E79 WeakPolarHBondContact O-CB 3.49Å; L75-E79 WeakPolarHBondContact O-CG 3.37Å; L75-E79 PolarHBondContact O-N 3.08Å |
| 76 | K | 87.2 | Confident | 89.8 | Confident | 57 Ų | 57 | 74.8 Ų | 74.8 | 25% | 0.248 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -57.7 | -48.8 | 174.7 | -76.3 | -174.7 | 179.3 | -172.1 | 0 | 112.5 | E67 L70 D72 Q73 H78 E79 L80 | E67-K76 VanDerWaalsContact O-CE 3.29Å; E67-K76 WeakPolarHBondContact O-CE 3.3Å; E67-K76 PolarHBondContact O-NZ 3.38Å; L70-K76 HydrophobicContact CB-CD 4.27Å; L70-K76 VanDerWaalsContact CB-CE 3.49Å; L70-K76 HydrophobicContact CB-CG 3.57Å; L70-K76 HydrophobicContact CD1-CG 3.88Å; L70-K76 HydrophobicContact CG-CG 4.4Å; L70-K76 WeakPolarHBondContact O-CE 3.38Å; L70-K76 PolarHBondContact O-NZ 2.89Å; D72-K76 WeakPolarHBondContact O-CG 3.21Å; D72-K76 PolarHBondContact O-N 2.85Å; Q73-K76 WeakPolarHBondContact O-CB 3.43Å; Q73-K76 PolarHBondContact O-N 3.1Å; Q73-K76 VanDerWaalsContact O-N 3.16Å; K76-H78 VanDerWaalsContact C-N 3.34Å; K76-H78 PolarHBondContact O-N 2.99Å; K76-E79 PolarHBondContact O-N 3.38Å; K76-L80 WeakPolarHBondContact O-CB 3.35Å; K76-L80 PolarHBondContact O-N 3.2Å |
| 77 | D | 90.9 | Very high | 90.2 | Very high | 95 Ų | 95 | 77.6 Ų | 77.6 | 51% | 0.508 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.5 | -41.2 | -178.3 | -70.8 | -18.2 | 0 | 0 | 0 | 111.7 | Q73 L75 L80 Q81 | Q73-D77 PolarHBondContact O-N 3.36Å; L75-D77 PolarHBondContact O-N 2.97Å; D77-L80 PolarHBondContact O-N 2.93Å; D77-Q81 WeakPolarHBondContact O-CB 3.36Å; D77-Q81 PolarHBondContact O-N 3.28Å |
| 78 | H | 90.6 | Very high | 90.7 | Very high | 116 Ų | 116 | 78.6 Ų | 78.6 | 54% | 0.537 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.1 | -46.4 | 174.5 | -177.6 | -71.9 | 0 | 0 | 0 | 111.7 | N74 L75 K76 L80 Q81 D82 | N74-H78 WeakPolarHBondContact O-CB 3.34Å; N74-H78 PolarHBondContact O-N 3.14Å; L75-H78 PolarHBondContact O-N 3.38Å; K76-H78 VanDerWaalsContact C-N 3.34Å; K76-H78 PolarHBondContact O-N 2.99Å; H78-L80 VanDerWaalsContact C-N 3.33Å; H78-L80 PolarHBondContact O-N 3.2Å; H78-Q81 PolarHBondContact O-N 3.45Å; H78-D82 IonicContact CE1-OD2 3.23Å; H78-D82 PolarHBondContact CE1-OD2 3.47Å; H78-D82 IonicContact ND1-OD2 2.77Å; H78-D82 PolarHBondContact ND1-OD2 2.91Å; H78-D82 WeakPolarHBondContact O-CB 3.37Å; H78-D82 PolarHBondContact O-N 3.09Å |
| 79 | E | 89.1 | Confident | 91.2 | Very high | 27 Ų | 27 | 73.8 Ų | 73.8 | 13% | 0.126 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -70.6 | -32.3 | -177.2 | -63.9 | -72.6 | -162.2 | 0 | 0 | 112 | R19 Q63 F66 L70 L75 K76 D82 S83 | R19-E79 IonicContact CZ-OE1 2.8Å; R19-E79 IonicContact CZ-OE2 3.41Å; R19-E79 IonicContact NH1-OE1 3.08Å; R19-E79 PolarHBondContact NH1-OE1 2.7Å; R19-E79 IonicContact NH1-OE2 2.88Å; R19-E79 PolarHBondContact NH1-OE2 2.89Å; R19-E79 IonicContact NH2-OE1 3.71Å; R19-E79 PolarHBondContact NH2-OE1 3.4Å; R19-E79 IonicContact NH2-OE2 3.85Å; R19-E79 PolarHBondContact NH2-OE2 3.45Å; Q63-E79 PolarHBondContact NE2-O 3.39Å; F66-E79 HydrophobicContact CE1-CG 4.06Å; L70-E79 HydrophobicContact CD1-CB 4.23Å; L70-E79 HydrophobicContact CD1-CG 4.05Å; L75-E79 WeakPolarHBondContact O-CB 3.49Å; L75-E79 WeakPolarHBondContact O-CG 3.37Å; L75-E79 PolarHBondContact O-N 3.08Å; K76-E79 PolarHBondContact O-N 3.38Å; E79-D82 WeakPolarHBondContact O-CB 3.38Å; E79-S83 PolarHBondContact O-N 3.22Å; E79-S83 VanDerWaalsContact O-N 3.12Å |
| 80 | L | 89.3 | Confident | 91.7 | Very high | 85 Ų | 85 | 68.3 Ų | 68.3 | 45% | 0.445 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.1 | -45.9 | 170.8 | -178 | 64.8 | 0 | 0 | 0 | 111.1 | K76 D77 H78 D82 S83 V84 | K76-L80 WeakPolarHBondContact O-CB 3.35Å; K76-L80 PolarHBondContact O-N 3.2Å; D77-L80 PolarHBondContact O-N 2.93Å; H78-L80 VanDerWaalsContact C-N 3.33Å; H78-L80 PolarHBondContact O-N 3.2Å; L80-D82 VanDerWaalsContact C-N 3.29Å; L80-D82 PolarHBondContact O-N 3.25Å; L80-S83 WeakPolarHBondContact O-CB 3.5Å; L80-S83 PolarHBondContact O-N 3.43Å; L80-S83 VanDerWaalsContact O-N 3.14Å; L80-V84 WeakPolarHBondContact O-CG2 3.5Å; L80-V84 PolarHBondContact O-N 3.49Å |
| 81 | Q | 92.9 | Very high | 92.2 | Very high | 103 Ų | 103 | 71.7 Ų | 71.7 | 48% | 0.481 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.7 | -42.2 | 176.5 | -175.4 | 61.1 | 57 | 0 | 0 | 111.3 | D77 H78 S83 V84 D85 | D77-Q81 WeakPolarHBondContact O-CB 3.36Å; D77-Q81 PolarHBondContact O-N 3.28Å; H78-Q81 PolarHBondContact O-N 3.45Å; Q81-S83 VanDerWaalsContact C-N 3.29Å; Q81-S83 PolarHBondContact O-N 2.8Å; Q81-V84 PolarHBondContact O-N 2.91Å; Q81-D85 PolarHBondContact NE2-OD1 3.43Å; Q81-D85 PolarHBondContact O-N 3.43Å |
| 82 | D | 91.5 | Very high | 92.8 | Very high | 35 Ų | 35 | 71.1 Ų | 71.1 | 19% | 0.187 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.1 | -38.8 | 175.3 | -97.8 | -37.4 | 0 | 0 | 0 | 112.9 | R23 H78 E79 L80 L86 | R23-D82 IonicContact CZ-OD1 3.27Å; R23-D82 VanDerWaalsContact NH1-CB 3.32Å; R23-D82 PolarHBondContact NH1-O 3.44Å; R23-D82 IonicContact NH1-OD1 3.49Å; R23-D82 PolarHBondContact NH1-OD1 2.78Å; R23-D82 IonicContact NH1-OD2 3.06Å; R23-D82 IonicContact NH2-OD1 3.54Å; R23-D82 PolarHBondContact NH2-OD1 3.35Å; H78-D82 IonicContact CE1-OD2 3.23Å; H78-D82 PolarHBondContact CE1-OD2 3.47Å; H78-D82 IonicContact ND1-OD2 2.77Å; H78-D82 PolarHBondContact ND1-OD2 2.91Å; H78-D82 WeakPolarHBondContact O-CB 3.37Å; H78-D82 PolarHBondContact O-N 3.09Å; E79-D82 WeakPolarHBondContact O-CB 3.38Å; L80-D82 VanDerWaalsContact C-N 3.29Å; L80-D82 PolarHBondContact O-N 3.25Å; D82-L86 PolarHBondContact O-N 2.86Å |
| 83 | S | 91.8 | Very high | 93 | Very high | 10 Ų | 10 | 68.3 Ų | 68.3 | 7% | 0.07 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.1 | -46.5 | 174 | -172.9 | 0 | 0 | 0 | 0 | 111.4 | E79 L80 Q81 D85 L86 E87 | E79-S83 PolarHBondContact O-N 3.22Å; E79-S83 VanDerWaalsContact O-N 3.12Å; L80-S83 WeakPolarHBondContact O-CB 3.5Å; L80-S83 PolarHBondContact O-N 3.43Å; L80-S83 VanDerWaalsContact O-N 3.14Å; Q81-S83 VanDerWaalsContact C-N 3.29Å; Q81-S83 PolarHBondContact O-N 2.8Å; S83-D85 VanDerWaalsContact C-N 3.34Å; S83-D85 PolarHBondContact O-N 3.47Å; S83-L86 WeakPolarHBondContact O-CB 3.33Å; S83-L86 PolarHBondContact O-N 3.37Å; S83-E87 WeakPolarHBondContact O-CG 3.5Å; S83-E87 PolarHBondContact O-N 2.92Å |
| 84 | V | 93.6 | Very high | 93.3 | Very high | 71 Ų | 71 | 65.6 Ų | 65.6 | 43% | 0.43 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.8 | -43 | 178.2 | 170.2 | 0 | 0 | 0 | 0 | 111.6 | L80 Q81 L86 E87 L88 | L80-V84 WeakPolarHBondContact O-CG2 3.5Å; L80-V84 PolarHBondContact O-N 3.49Å; Q81-V84 PolarHBondContact O-N 2.91Å; V84-L86 VanDerWaalsContact C-N 3.31Å; V84-L86 PolarHBondContact O-N 3.27Å; V84-E87 PolarHBondContact O-N 3.33Å; V84-L88 WeakPolarHBondContact O-CB 3.28Å; V84-L88 PolarHBondContact O-N 2.91Å |
| 85 | D | 96.4 | Very high | 93.6 | Very high | 77 Ų | 77 | 62.3 Ų | 62.3 | 41% | 0.412 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63 | -40.2 | 178.5 | -74.4 | -11.9 | 0 | 0 | 0 | 111.6 | Q81 S83 A89 | Q81-D85 PolarHBondContact NE2-OD1 3.43Å; Q81-D85 PolarHBondContact O-N 3.43Å; S83-D85 VanDerWaalsContact C-N 3.34Å; S83-D85 PolarHBondContact O-N 3.47Å; D85-A89 WeakPolarHBondContact O-CB 3.45Å; D85-A89 PolarHBondContact O-N 2.91Å |
| 86 | L | 95.3 | Very high | 93.8 | Very high | 14 Ų | 14 | 63 Ų | 63 | 7% | 0.073 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.8 | -48 | 174.8 | -176.6 | 63.1 | 0 | 0 | 0 | 111.3 | R23 I26 L56 F59 D82 S83 V84 L88 A89 V90 | R23-L86 HydrophobicContact CG-CD1 4.43Å; R23-L86 HydrophobicContact CG-CD2 4.35Å; I26-L86 HydrophobicContact CB-CD1 4.33Å; I26-L86 HydrophobicContact CD1-CD2 4.02Å; I26-L86 HydrophobicContact CG2-CD1 3.71Å; I26-L86 HydrophobicContact CG2-CG 4.45Å; L56-L86 HydrophobicContact CD1-CD2 4.43Å; F59-L86 HydrophobicContact CD1-CD2 3.87Å; F59-L86 HydrophobicContact CD2-CD2 3.99Å; F59-L86 HydrophobicContact CE1-CD2 3.73Å; F59-L86 HydrophobicContact CE2-CD2 3.85Å; F59-L86 HydrophobicContact CG-CD2 4.01Å; F59-L86 HydrophobicContact CZ-CD2 3.72Å; D82-L86 PolarHBondContact O-N 2.86Å; S83-L86 WeakPolarHBondContact O-CB 3.33Å; S83-L86 PolarHBondContact O-N 3.37Å; V84-L86 VanDerWaalsContact C-N 3.31Å; V84-L86 PolarHBondContact O-N 3.27Å; L86-L88 VanDerWaalsContact C-N 3.33Å; L86-L88 PolarHBondContact O-N 2.8Å; L86-A89 WeakPolarHBondContact O-CB 3.47Å; L86-A89 PolarHBondContact O-N 2.77Å; L86-V90 WeakPolarHBondContact O-CG2 2.75Å; L86-V90 PolarHBondContact O-N 2.85Å; L86-V90 VanDerWaalsContact O-N 3.07Å |
| 87 | E | 95.9 | Very high | 94.1 | Very high | 61 Ų | 61 | 60.2 Ų | 60.2 | 29% | 0.285 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.9 | -42.6 | 177.8 | -69.8 | -155.3 | -173.2 | 0 | 0 | 112.1 | L56 R60 S83 V84 A89 V90 V91 | L56-E87 HydrophobicContact CD1-CG 4.31Å; R60-E87 IonicContact CZ-OE1 2.74Å; R60-E87 IonicContact CZ-OE2 2.67Å; R60-E87 IonicContact NE-OE1 2.62Å; R60-E87 PolarHBondContact NE-OE1 3.4Å; R60-E87 IonicContact NE-OE2 3.77Å; R60-E87 IonicContact NH2-OE1 3.97Å; R60-E87 PolarHBondContact NH2-OE1 2.96Å; R60-E87 VanDerWaalsContact NH2-OE1 3.08Å; R60-E87 IonicContact NH2-OE2 3.97Å; R60-E87 PolarHBondContact NH2-OE2 3.11Å; S83-E87 WeakPolarHBondContact O-CG 3.5Å; S83-E87 PolarHBondContact O-N 2.92Å; V84-E87 PolarHBondContact O-N 3.33Å; E87-A89 VanDerWaalsContact C-N 3.3Å; E87-A89 PolarHBondContact O-N 3.47Å; E87-V90 PolarHBondContact O-N 3.5Å; E87-V91 WeakPolarHBondContact O-CG2 3.29Å; E87-V91 PolarHBondContact O-N 3.12Å |
| 88 | L | 97.5 | Very high | 94.2 | Very high | 80 Ų | 80 | 62.2 Ų | 62.2 | 42% | 0.419 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.9 | -39.1 | 176.5 | -178.5 | 60.4 | 0 | 0 | 0 | 111.6 | V84 L86 V91 K92 | V84-L88 WeakPolarHBondContact O-CB 3.28Å; V84-L88 PolarHBondContact O-N 2.91Å; L86-L88 VanDerWaalsContact C-N 3.33Å; L86-L88 PolarHBondContact O-N 2.8Å; L88-V91 PolarHBondContact O-N 3.38Å; L88-K92 HydrophobicContact CD1-CG 4.46Å; L88-K92 HydrophobicContact CG-CD 4.26Å; L88-K92 WeakPolarHBondContact O-CB 3.45Å; L88-K92 VanDerWaalsContact O-CG 3.3Å; L88-K92 WeakPolarHBondContact O-CG 3.44Å; L88-K92 PolarHBondContact O-N 3.41Å |
| 89 | A | 97.1 | Very high | 94.2 | Very high | 38 Ų | 38 | 58.8 Ų | 58.8 | 31% | 0.314 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.4 | -43.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | L30 D85 L86 E87 K92 A93 | L30-A89 HydrophobicContact CD1-CB 3.98Å; D85-A89 WeakPolarHBondContact O-CB 3.45Å; D85-A89 PolarHBondContact O-N 2.91Å; L86-A89 WeakPolarHBondContact O-CB 3.47Å; L86-A89 PolarHBondContact O-N 2.77Å; E87-A89 VanDerWaalsContact C-N 3.3Å; E87-A89 PolarHBondContact O-N 3.47Å; A89-K92 PolarHBondContact O-N 2.96Å; A89-A93 WeakPolarHBondContact O-CB 3.36Å; A89-A93 PolarHBondContact O-N 2.94Å |
| 90 | V | 96.4 | Very high | 94.2 | Very high | 3 Ų | 3 | 58.3 Ų | 58.3 | 2% | 0.018 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62 | -46.4 | 175.6 | 176.1 | 0 | 0 | 0 | 0 | 111.2 | I26 L30 V52 L56 L86 E87 K92 A93 K94 | I26-V90 HydrophobicContact CG2-CG2 4.18Å; L30-V90 HydrophobicContact CD1-CG2 4.18Å; L30-V90 HydrophobicContact CD2-CG2 4.27Å; V52-V90 HydrophobicContact CG1-CB 4.34Å; V52-V90 HydrophobicContact CG1-CG1 3.75Å; V52-V90 HydrophobicContact CG1-CG2 3.64Å; L56-V90 HydrophobicContact CD2-CB 4.42Å; L56-V90 HydrophobicContact CD2-CG1 4.2Å; L56-V90 HydrophobicContact CD2-CG2 4.32Å; L86-V90 WeakPolarHBondContact O-CG2 2.75Å; L86-V90 PolarHBondContact O-N 2.85Å; L86-V90 VanDerWaalsContact O-N 3.07Å; E87-V90 PolarHBondContact O-N 3.5Å; V90-K92 PolarHBondContact O-N 3.29Å; V90-A93 PolarHBondContact O-N 3.38Å; V90-K94 HydrophobicContact CG1-CD 4.49Å; V90-K94 WeakPolarHBondContact O-CG 3.04Å; V90-K94 PolarHBondContact O-N 3.35Å |
| 91 | V | 97.2 | Very high | 93.8 | Very high | 89 Ų | 89 | 55.4 Ų | 55.4 | 54% | 0.539 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.9 | -43.9 | 178 | 171.1 | 0 | 0 | 0 | 0 | 111.5 | E87 L88 A93 K94 A95 | E87-V91 WeakPolarHBondContact O-CG2 3.29Å; E87-V91 PolarHBondContact O-N 3.12Å; L88-V91 PolarHBondContact O-N 3.38Å; V91-A93 PolarHBondContact O-N 3.14Å; V91-K94 PolarHBondContact O-N 3.4Å; V91-A95 PolarHBondContact O-N 3.48Å |
| 92 | K | 97.3 | Very high | 93.1 | Very high | 122 Ų | 122 | 57.2 Ų | 57.2 | 53% | 0.53 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.8 | -43.6 | 175.6 | -76.4 | 172.5 | 178.6 | 172.4 | 0 | 111.5 | L88 A89 V90 A95 K96 | L88-K92 HydrophobicContact CD1-CG 4.46Å; L88-K92 HydrophobicContact CG-CD 4.26Å; L88-K92 WeakPolarHBondContact O-CB 3.45Å; L88-K92 VanDerWaalsContact O-CG 3.3Å; L88-K92 WeakPolarHBondContact O-CG 3.44Å; L88-K92 PolarHBondContact O-N 3.41Å; A89-K92 PolarHBondContact O-N 2.96Å; V90-K92 PolarHBondContact O-N 3.29Å; K92-A95 PolarHBondContact O-N 2.87Å; K92-K96 WeakPolarHBondContact O-CG 3.43Å; K92-K96 PolarHBondContact O-N 3.19Å |
| 93 | A | 95.8 | Very high | 91.7 | Very high | 12 Ų | 12 | 63.9 Ų | 63.9 | 10% | 0.099 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L30 V33 L49 A89 V90 V91 A95 K96 A97 | L30-A93 HydrophobicContact CD2-CB 3.62Å; V33-A93 HydrophobicContact CG1-CB 4.19Å; L49-A93 HydrophobicContact CD2-CB 4.01Å; A89-A93 WeakPolarHBondContact O-CB 3.36Å; A89-A93 PolarHBondContact O-N 2.94Å; V90-A93 PolarHBondContact O-N 3.38Å; V91-A93 PolarHBondContact O-N 3.14Å; A93-A95 VanDerWaalsContact C-N 3.33Å; A93-A95 PolarHBondContact O-N 3.26Å; A93-K96 PolarHBondContact O-N 3.2Å; A93-A97 WeakPolarHBondContact O-CB 3.44Å; A93-A97 PolarHBondContact O-N 2.62Å |
| 94 | K | 95.5 | Very high | 90 | Very high | 61 Ų | 61 | 68.2 Ų | 68.2 | 27% | 0.265 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59 | -43 | 173.4 | -70.7 | -174.9 | -177.4 | -170.9 | 0 | 112.6 | L49 D53 V90 V91 A97 K98 | L49-K94 HydrophobicContact CD1-CB 4.43Å; L49-K94 HydrophobicContact CD1-CG 4.02Å; L49-K94 HydrophobicContact CD2-CG 3.88Å; L49-K94 HydrophobicContact CG-CG 4.4Å; D53-K94 WeakPolarHBondContact OD1-CE 3.36Å; D53-K94 IonicContact OD1-NZ 3.13Å; D53-K94 PolarHBondContact OD1-NZ 3.38Å; D53-K94 WeakPolarHBondContact OD2-CE 3.5Å; D53-K94 IonicContact OD2-NZ 2.6Å; D53-K94 PolarHBondContact OD2-NZ 3.4Å; V90-K94 HydrophobicContact CG1-CD 4.49Å; V90-K94 WeakPolarHBondContact O-CG 3.04Å; V90-K94 PolarHBondContact O-N 3.35Å; V91-K94 PolarHBondContact O-N 3.4Å; K94-A97 PolarHBondContact O-N 2.88Å; K94-K98 WeakPolarHBondContact O-CB 3.14Å; K94-K98 WeakPolarHBondContact O-CG 3.33Å; K94-K98 PolarHBondContact O-N 2.77Å |
| 95 | A | 94.9 | Very high | 88.1 | Confident | 60 Ų | 60 | 72.1 Ų | 72.1 | 50% | 0.496 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.9 | -44.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V91 K92 A93 K98 A99 | V91-A95 PolarHBondContact O-N 3.48Å; K92-A95 PolarHBondContact O-N 2.87Å; A93-A95 VanDerWaalsContact C-N 3.33Å; A93-A95 PolarHBondContact O-N 3.26Å; A95-K98 PolarHBondContact O-N 3.27Å; A95-A99 WeakPolarHBondContact O-CB 3.36Å; A95-A99 PolarHBondContact O-N 2.92Å |
| 96 | K | 94.7 | Very high | 86 | Confident | 106 Ų | 106 | 76.2 Ų | 76.2 | 46% | 0.461 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.1 | -47.7 | 175.1 | -73.7 | 179.8 | 173.3 | -178.4 | 0 | 111.7 | E34 I37 K92 A93 A99 A100 | E34-K96 IonicContact OE1-NZ 3.33Å; E34-K96 PolarHBondContact OE1-NZ 2.9Å; I37-K96 HydrophobicContact CD1-CB 3.84Å; K92-K96 WeakPolarHBondContact O-CG 3.43Å; K92-K96 PolarHBondContact O-N 3.19Å; A93-K96 PolarHBondContact O-N 3.2Å; K96-A99 PolarHBondContact O-N 3.45Å; K96-A100 WeakPolarHBondContact O-CB 3.41Å; K96-A100 PolarHBondContact O-N 2.91Å |
| 97 | A | 93.2 | Very high | 84 | Confident | 0 Ų | 0 | 81.1 Ų | 81.1 | 0% | 0 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -61.6 | -45.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | I37 A45 L46 L49 A93 K94 A99 A100 G101 | I37-A97 HydrophobicContact CD1-CB 3.98Å; I37-A97 HydrophobicContact CG1-CB 4.42Å; A45-A97 HydrophobicContact CB-CB 4.4Å; L46-A97 HydrophobicContact CD2-CB 3.89Å; L46-A97 HydrophobicContact CG-CB 4.35Å; L49-A97 HydrophobicContact CD1-CB 3.48Å; L49-A97 VanDerWaalsContact CD1-CB 3.48Å; A93-A97 WeakPolarHBondContact O-CB 3.44Å; A93-A97 PolarHBondContact O-N 2.62Å; K94-A97 PolarHBondContact O-N 2.88Å; A97-A99 VanDerWaalsContact C-N 3.34Å; A97-A99 PolarHBondContact O-N 3.41Å; A97-A100 PolarHBondContact O-N 3.06Å; A97-G101 PolarHBondContact O-N 3.23Å |
| 98 | K | 91.7 | Very high | 81.7 | Confident | 137 Ų | 137 | 83.1 Ų | 83.1 | 60% | 0.596 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -61.7 | -39.9 | 175.7 | -74.3 | -179.2 | 179.7 | -175.9 | 0 | 112.5 | K94 A95 K102 | K94-K98 WeakPolarHBondContact O-CB 3.14Å; K94-K98 WeakPolarHBondContact O-CG 3.33Å; K94-K98 PolarHBondContact O-N 2.77Å; A95-K98 PolarHBondContact O-N 3.27Å; K98-K102 WeakPolarHBondContact O-CG 3.17Å; K98-K102 PolarHBondContact O-N 2.94Å |
| 99 | A | 91.8 | Very high | 78.8 | Confident | 44 Ų | 44 | 84.9 Ų | 84.9 | 36% | 0.364 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -67.3 | -37.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | A95 K96 A97 K102 R103 | A95-A99 WeakPolarHBondContact O-CB 3.36Å; A95-A99 PolarHBondContact O-N 2.92Å; K96-A99 PolarHBondContact O-N 3.45Å; A97-A99 VanDerWaalsContact C-N 3.34Å; A97-A99 PolarHBondContact O-N 3.41Å; A99-K102 PolarHBondContact O-N 3.34Å; A99-R103 PolarHBondContact O-N 2.95Å |
| 100 | A | 89.1 | Confident | 76.1 | Confident | 17 Ų | 17 | 89.6 Ų | 89.6 | 14% | 0.14 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -66 | -41.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I37 P42 K96 A97 K102 R103 | I37-A100 HydrophobicContact CG2-CB 3.87Å; P42-A100 HydrophobicContact CB-CB 4.02Å; K96-A100 WeakPolarHBondContact O-CB 3.41Å; K96-A100 PolarHBondContact O-N 2.91Å; A97-A100 PolarHBondContact O-N 3.06Å; A100-K102 PolarHBondContact O-N 3.39Å; A100-R103 PolarHBondContact O-N 3.26Å |
| 101 | G | 80.8 | Confident | 73.7 | Confident | 24 Ų | 24 | 95.3 Ų | 95.3 | 25% | 0.247 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -59.2 | -44.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A97 R103 K104 E105 | A97-G101 PolarHBondContact O-N 3.23Å; G101-R103 VanDerWaalsContact C-N 3.32Å; G101-R103 PolarHBondContact O-N 3.31Å; G101-K104 PolarHBondContact O-N 3.09Å; G101-E105 PolarHBondContact O-N 3.38Å |
| 102 | K | 77.6 | Confident | 71.1 | Confident | 140 Ų | 140 | 94.3 Ų | 94.3 | 61% | 0.609 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.4 | -31.9 | 178.6 | -70.5 | -178.2 | 179.2 | -171.3 | 0 | 113.8 | K98 A99 A100 K104 E105 Q106 | K98-K102 WeakPolarHBondContact O-CG 3.17Å; K98-K102 PolarHBondContact O-N 2.94Å; A99-K102 PolarHBondContact O-N 3.34Å; A100-K102 PolarHBondContact O-N 3.39Å; K102-K104 VanDerWaalsContact C-N 3.33Å; K102-E105 PolarHBondContact O-N 2.99Å; K102-Q106 PolarHBondContact O-N 3.5Å; K102-Q106 VanDerWaalsContact O-N 3.08Å |
| 103 | R | 62.6 | Low | 68.8 | Low | 175 Ų | 175 | 93.8 Ų | 93.8 | 66% | 0.66 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.5 | -34.8 | 178.2 | -73.3 | -178.9 | -168.3 | 158.7 | 2.3 | 112.1 | A99 A100 G101 E105 Q106 T107 | A99-R103 PolarHBondContact O-N 2.95Å; A100-R103 PolarHBondContact O-N 3.26Å; G101-R103 VanDerWaalsContact C-N 3.32Å; G101-R103 PolarHBondContact O-N 3.31Å; R103-E105 VanDerWaalsContact C-N 3.31Å; R103-Q106 PolarHBondContact O-N 2.87Å; R103-T107 PolarHBondContact O-N 2.85Å; R103-T107 PolarHBondContact O-OG1 3.41Å |
| 104 | K | 55.7 | Low | 66.5 | Low | 102 Ų | 102 | 101.4 Ų | 101.4 | 44% | 0.443 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.1 | -34.2 | 177.1 | -158.1 | 174.3 | 175.1 | -173.2 | 0 | 111.5 | P42 E43 G101 K102 T108 | P42-K104 HydrophobicContact CG-CD 4.24Å; E43-K104 IonicContact OE1-NZ 3.75Å; E43-K104 PolarHBondContact OE1-NZ 2.97Å; E43-K104 IonicContact OE2-NZ 2.89Å; E43-K104 PolarHBondContact OE2-NZ 3.05Å; E43-K104 VanDerWaalsContact OE2-NZ 3.13Å; G101-K104 PolarHBondContact O-N 3.09Å; K102-K104 VanDerWaalsContact C-N 3.33Å; K104-T108 PolarHBondContact O-OG1 3.24Å; K104-T108 VanDerWaalsContact O-OG1 3.05Å |
| 105 | E | 53.7 | Low | 64.2 | Low | 153 Ų | 153 | 103.7 Ų | 103.7 | 72% | 0.715 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -70.3 | -37.5 | 174.1 | -155.8 | 172.7 | -167.4 | 0 | 0 | 112.1 | G101 K102 R103 | G101-E105 PolarHBondContact O-N 3.38Å; K102-E105 PolarHBondContact O-N 2.99Å; R103-E105 VanDerWaalsContact C-N 3.31Å |
| 106 | Q | 53.1 | Low | 61.7 | Low | 162 Ų | 162 | 106.1 Ų | 106.1 | 76% | 0.757 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -76 | -24 | 176.7 | -75.4 | -176.9 | -10.7 | 0 | 0 | 114.7 | K102 R103 T108 | K102-Q106 PolarHBondContact O-N 3.5Å; K102-Q106 VanDerWaalsContact O-N 3.08Å; R103-Q106 PolarHBondContact O-N 2.87Å; Q106-T108 VanDerWaalsContact C-N 3.3Å |
| 107 | T | 52.6 | Low | 59.2 | Low | 117 Ų | 117 | 106.9 Ų | 106.9 | 72% | 0.718 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -82.9 | -12.2 | -178.7 | -47.4 | 0 | 0 | 0 | 0 | 112.1 | R103 | R103-T107 PolarHBondContact O-N 2.85Å; R103-T107 PolarHBondContact O-OG1 3.41Å |
| 108 | T | 46.8 | Very low | 57.2 | Low | 104 Ų | 104 | 112.7 Ų | 112.7 | 64% | 0.638 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -102.2 | 74.8 | 178.5 | -43.7 | 0 | 0 | 0 | 0 | 109.8 | K104 Q106 | K104-T108 PolarHBondContact O-OG1 3.24Å; K104-T108 VanDerWaalsContact O-OG1 3.05Å; Q106-T108 VanDerWaalsContact C-N 3.3Å |
| 109 | T | 38 | Very low | 55 | Low | 116 Ų | 116 | 112 Ų | 112 | 71% | 0.712 | 64% | 0.638 | S | S | * | * | trans | 161.3 | 78.8 | 151.9 | -61.4 | 0 | 0 | 0 | 0 | 108.6 | V111 | T109-V111 HydrophobicContact CG2-CG2 4.37Š| ||
| 110 | V | 40.1 | Very low | 52.7 | Low | 138 Ų | 138 | 112.7 Ų | 112.7 | 84% | 0.836 | 65% | 0.65 | S | S | * | * | trans | -109.5 | 79.2 | 147.4 | 179.3 | 0 | 0 | 0 | 0 | 105.3 | A112 | V110-A112 VanDerWaalsContact C-N 3.32Å; V110-A112 PolarHBondContact O-N 2.98Å | ||
| 111 | V | 44.9 | Very low | 50.3 | Low | 123 Ų | 123 | 117.3 Ų | 117.3 | 75% | 0.745 | 68% | 0.679 | S | S | * | * | trans | -73.8 | 102.3 | 153.3 | 177 | 0 | 0 | 0 | 0 | 103.7 | T109 | T109-V111 HydrophobicContact CG2-CG2 4.37Š| ||
| 112 | A | 44 | Very low | 48.7 | Very low | 67 Ų | 67 | 123.8 Ų | 123.8 | 55% | 0.554 | 71% | 0.708 | S | S | * | * | trans | -51.4 | 130.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 107 | V110 E114 | V110-A112 VanDerWaalsContact C-N 3.32Å; V110-A112 PolarHBondContact O-N 2.98Å; A112-E114 PolarHBondContact O-N 3.46Å | ||
| 113 | P | 48.8 | Very low | 46.9 | Very low | 112 Ų | 112 | 120.3 Ų | 120.3 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | trans | -58.1 | 113.4 | 170.9 | 23.8 | -29.6 | 0 | 0 | 0 | 106 | P115 | P113-P115 VanDerWaalsContact O-CD 3.28Å; P113-P115 WeakPolarHBondContact O-CD 3.37Å; P113-P115 VanDerWaalsContact O-N 3.11Å | ||
| 114 | E | 47.3 | Very low | 45.5 | Very low | 172 Ų | 172 | 117.3 Ų | 117.3 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | trans | -54.2 | 122.5 | 167.2 | -101 | -155.1 | 127.9 | 0 | 0 | 106 | A112 C116 | A112-E114 PolarHBondContact O-N 3.46Å; E114-C116 VanDerWaalsContact C-N 3.25Å; E114-C116 PolarHBondContact O-N 3.03Å | ||
| 115 | P | 47 | Very low | 44.8 | Very low | 109 Ų | 109 | 123.1 Ų | 123.1 | 71% | 0.708 | 74% | 0.738 | S | S | * | * | trans | -68 | 95.2 | 171.1 | 26.4 | -28.5 | 0 | 0 | 0 | 106.6 | P113 T117 | P113-P115 VanDerWaalsContact O-CD 3.28Å; P113-P115 WeakPolarHBondContact O-CD 3.37Å; P113-P115 VanDerWaalsContact O-N 3.11Å; P115-T117 PolarHBondContact O-N 2.87Å; P115-T117 PolarHBondContact O-OG1 3.42Å | ||
| 116 | C | 41.8 | Very low | 44.3 | Very low | 110 Ų | 110 | 127.1 Ų | 127.1 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | trans | -59.9 | 95.2 | 163.7 | -68.9 | 0 | 0 | 0 | 0 | 107 | E114 V118 | E114-C116 VanDerWaalsContact C-N 3.25Å; E114-C116 PolarHBondContact O-N 3.03Å; C116-V118 VanDerWaalsContact C-N 3.3Å; C116-V118 PolarHBondContact O-N 3.48Å | ||
| 117 | T | 43.5 | Very low | 44 | Very low | 122 Ų | 122 | 126.1 Ų | 126.1 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | trans | -77.1 | 89.2 | 175.3 | -51.3 | 0 | 0 | 0 | 0 | 106.2 | P115 P119 | P115-T117 PolarHBondContact O-N 2.87Å; P115-T117 PolarHBondContact O-OG1 3.42Å; T117-P119 WeakPolarHBondContact O-CD 3.42Å | ||
| 118 | V | 49.9 | Very low | 43.6 | Very low | 122 Ų | 122 | 126.9 Ų | 126.9 | 74% | 0.739 | 75% | 0.745 | S | S | * | * | trans | -75.1 | 121.7 | 165.7 | -169.3 | 0 | 0 | 0 | 0 | 106.2 | C116 G120 | C116-V118 VanDerWaalsContact C-N 3.3Å; C116-V118 PolarHBondContact O-N 3.48Å; V118-G120 VanDerWaalsContact C-N 3.28Å; V118-G120 PolarHBondContact O-N 3.16Å | ||
| 119 | P | 45.3 | Very low | 43.6 | Very low | 123 Ų | 123 | 129 Ų | 129 | 80% | 0.799 | 75% | 0.748 | S | S | * | * | trans | -72 | 89.2 | 175.3 | -2.1 | 17.5 | 0 | 0 | 0 | 108.4 | T117 | T117-P119 WeakPolarHBondContact O-CD 3.42Š| ||
| 120 | G | 43.8 | Very low | 44 | Very low | 59 Ų | 59 | 127.6 Ų | 127.6 | 61% | 0.608 | 75% | 0.748 | S | S | * | * | trans | -90 | 122.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | V118 N122 | V118-G120 VanDerWaalsContact C-N 3.28Å; V118-G120 PolarHBondContact O-N 3.16Å; G120-N122 PolarHBondContact O-N 3.03Å | ||
| 121 | P | 40.1 | Very low | 44.2 | Very low | 114 Ų | 114 | 128.4 Ų | 128.4 | 74% | 0.74 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -70.7 | 127 | 169.5 | 30.2 | -28.1 | 0 | 0 | 0 | 107.4 | ||
| 122 | N | 46.2 | Very low | 44.4 | Very low | 160 Ų | 160 | 132.4 Ų | 132.4 | 86% | 0.856 | 75% | 0.748 | S | S | * | * | S | Bend | trans | 87.9 | 104.3 | 171.3 | -47.6 | -24 | 0 | 0 | 0 | 116.7 | G120 | G120-N122 PolarHBondContact O-N 3.03Š|
| 123 | G | 39.2 | Very low | 44.1 | Very low | 67 Ų | 67 | 138.8 Ų | 138.8 | 69% | 0.691 | 76% | 0.758 | S | S | * | * | trans | 75.6 | 88.4 | 135.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 124 | S | 33.2 | Very low | 44 | Very low | 112 Ų | 112 | 139.9 Ų | 139.9 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | trans | 52.8 | 96.3 | 141.8 | 179.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 125 | Y | 41.6 | Very low | 43.8 | Very low | 224 Ų | 224 | 137 Ų | 137 | 88% | 0.878 | 76% | 0.757 | S | S | * | * | trans | -147 | 115.9 | 143.3 | -72.8 | -78.6 | 0 | 0 | 0 | 110.5 | ||||
| 126 | R | 43.5 | Very low | 43.7 | Very low | 237 Ų | 237 | 139.8 Ų | 139.8 | 89% | 0.894 | 76% | 0.76 | S | S | * | * | trans | -84.2 | 104.5 | 164.3 | -95.2 | -171.5 | 179.2 | -162.9 | 0.6 | 108 | L128 | R126-L128 PolarHBondContact O-N 3.45Š| ||
| 127 | N | 46.4 | Very low | 44 | Very low | 141 Ų | 141 | 143.7 Ų | 143.7 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | trans | -75.7 | 112 | 164.6 | -90 | -36 | 0 | 0 | 0 | 108.9 | ||||
| 128 | L | 44.5 | Very low | 44.2 | Very low | 133 Ų | 133 | 143.3 Ų | 143.3 | 70% | 0.696 | 77% | 0.774 | S | S | * | * | trans | -93 | 104.4 | 164.8 | -78.4 | 165.8 | 0 | 0 | 0 | 107.9 | R126 A130 | R126-L128 PolarHBondContact O-N 3.45Å; L128-A130 PolarHBondContact O-N 2.8Å | ||
| 129 | Q | 47.8 | Very low | 43.7 | Very low | 148 Ų | 148 | 140.2 Ų | 140.2 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | trans | -77 | 115.5 | 164.5 | -83.9 | 178.8 | 18.7 | 0 | 0 | 108.6 | ||||
| 130 | A | 45.1 | Very low | 43.5 | Very low | 87 Ų | 87 | 142.5 Ų | 142.5 | 72% | 0.719 | 77% | 0.771 | S | S | * | * | trans | -101.9 | 115.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | L128 | L128-A130 PolarHBondContact O-N 2.8Š| ||
| 131 | M | 44.2 | Very low | 43.2 | Very low | 155 Ų | 155 | 146.7 Ų | 146.7 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | trans | -83.5 | 123.2 | 167.7 | -68.5 | -176 | -174.5 | 0 | 0 | 108.5 | ||||
| 132 | Y | 49.5 | Very low | 43.6 | Very low | 206 Ų | 206 | 145.5 Ų | 145.5 | 81% | 0.808 | 77% | 0.774 | S | S | * | * | trans | -108.4 | 127.7 | 174 | -136.6 | -92.3 | 0 | 0 | 0 | 109.8 | ||||
| 133 | W | 38.7 | Very low | 43.4 | Very low | 201 Ų | 201 | 146.6 Ų | 146.6 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | trans | -96.7 | 106.2 | 174.6 | -72.2 | 100.8 | 0 | 0 | 0 | 109.6 | ||||
| 134 | N | 46.1 | Very low | 43.7 | Very low | 136 Ų | 136 | 150.7 Ų | 150.7 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | -92.3 | 94.8 | 168.5 | -86.2 | -22.4 | 0 | 0 | 0 | 109.5 | H136 | N134-H136 PolarHBondContact O-N 3.45Š| ||
| 135 | S | 42.5 | Very low | 44.3 | Very low | 112 Ų | 112 | 151.1 Ų | 151.1 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | trans | -84.3 | 95.1 | 171.2 | -61.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 136 | H | 44 | Very low | 44.5 | Very low | 167 Ų | 167 | 149.6 Ų | 149.6 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | trans | -75.5 | 135.4 | 165.1 | -103.5 | -86.4 | 0 | 0 | 0 | 110 | N134 S138 | N134-H136 PolarHBondContact O-N 3.45Å; H136-S138 PolarHBondContact O-N 3.48Å | ||
| 137 | L | 48.7 | Very low | 44.6 | Very low | 191 Ų | 191 | 146.2 Ų | 146.2 | 100% | 1 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -61 | 12.8 | -177 | -88.9 | 149.2 | 0 | 0 | 0 | 116.4 | ||
| 138 | S | 47.9 | Very low | 44.5 | Very low | 114 Ų | 114 | 145.2 Ų | 145.2 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -131.5 | 38.8 | -167.8 | -173.9 | 0 | 0 | 0 | 0 | 114.8 | H136 | H136-S138 PolarHBondContact O-N 3.48Š|
| 139 | G | 39.7 | Very low | 44.7 | Very low | 58 Ų | 58 | 143.2 Ų | 143.2 | 60% | 0.598 | 75% | 0.752 | S | S | * | * | trans | 100 | 134.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | N141 | G139-N141 PolarHBondContact O-N 3.2Š| ||
| 140 | I | 40.5 | Very low | 44.6 | Very low | 171 Ų | 171 | 146.6 Ų | 146.6 | 88% | 0.877 | 76% | 0.759 | S | S | * | * | trans | -72.6 | 99.8 | -173.2 | -48.4 | 167.3 | 0 | 0 | 0 | 107.8 | ||||
| 141 | N | 38 | Very low | 44.6 | Very low | 147 Ų | 147 | 147.3 Ų | 147.3 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | trans | -118.1 | 95 | 167.3 | -157.4 | -12.3 | 0 | 0 | 0 | 108.2 | G139 K143 | G139-N141 PolarHBondContact O-N 3.2Å; N141-K143 PolarHBondContact O-N 2.77Å | ||
| 142 | S | 47.5 | Very low | 44.4 | Very low | 88 Ų | 88 | 145.3 Ų | 145.3 | 62% | 0.615 | 76% | 0.755 | S | S | * | * | trans | -84.9 | 102.6 | -174.5 | -49.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 143 | K | 43.6 | Very low | 43.9 | Very low | 184 Ų | 184 | 142 Ų | 142 | 80% | 0.8 | 76% | 0.756 | S | S | * | * | trans | -104.3 | 125.8 | 163.8 | -91.3 | -175.5 | 176.3 | 178.6 | 0 | 110 | N141 V145 | N141-K143 PolarHBondContact O-N 2.77Å; K143-V145 PolarHBondContact O-N 2.9Å | ||
| 144 | L | 45 | Very low | 44.3 | Very low | 152 Ų | 152 | 138.7 Ų | 138.7 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | trans | -65.7 | 122.7 | 170.2 | -113 | 124.3 | 0 | 0 | 0 | 109.3 | Y146 | L144-Y146 HydrophobicContact CD2-CD2 4.19Å; L144-Y146 HydrophobicContact CD2-CE2 3.71Å | ||
| 145 | V | 46 | Very low | 44.6 | Very low | 122 Ų | 122 | 143.6 Ų | 143.6 | 74% | 0.739 | 78% | 0.783 | S | S | * | * | trans | -119.2 | 115.8 | 170.1 | -178.7 | 0 | 0 | 0 | 0 | 107.6 | K143 M147 | K143-V145 PolarHBondContact O-N 2.9Å; V145-M147 HydrophobicContact CG1-CG 4.48Å | ||
| 146 | Y | 45.3 | Very low | 44.7 | Very low | 192 Ų | 192 | 145.2 Ų | 145.2 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | trans | -80.5 | 122.9 | 171 | -87.9 | -94.5 | 0 | 0 | 0 | 109.1 | L144 | L144-Y146 HydrophobicContact CD2-CD2 4.19Å; L144-Y146 HydrophobicContact CD2-CE2 3.71Å | ||
| 147 | M | 46.5 | Very low | 44.7 | Very low | 165 Ų | 165 | 144 Ų | 144 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | -117.4 | 126.7 | 163.2 | -72.1 | -153 | 86.4 | 0 | 0 | 109.8 | V145 V149 | V145-M147 HydrophobicContact CG1-CG 4.48Å; M147-V149 PolarHBondContact O-N 2.84Å | ||
| 148 | D | 43.9 | Very low | 44.5 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 65% | 0.647 | 77% | 0.772 | S | S | * | * | trans | -80.1 | 109.8 | 170.2 | -173.4 | 22.2 | 0 | 0 | 0 | 108.3 | ||||
| 149 | V | 48.3 | Very low | 44.3 | Very low | 90 Ų | 90 | 143 Ų | 143 | 55% | 0.545 | 77% | 0.77 | S | S | . | * | trans | -100.4 | 98 | 177.2 | -177.1 | 0 | 0 | 0 | 0 | 108.3 | M147 T151 | M147-V149 PolarHBondContact O-N 2.84Å; V149-T151 HydrophobicContact CG1-CG2 4.45Å; V149-T151 PolarHBondContact O-N 3.22Å | ||
| 150 | R | 44.7 | Very low | 44.6 | Very low | 219 Ų | 219 | 148.3 Ų | 148.3 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | trans | -78.4 | 102.6 | 168.6 | -73 | -174.2 | -174.8 | -168.6 | 0 | 110 | ||||
| 151 | T | 46.5 | Very low | 44.9 | Very low | 102 Ų | 102 | 146.8 Ų | 146.8 | 63% | 0.626 | 78% | 0.775 | S | S | * | * | trans | -96.6 | 112.3 | 162.4 | 31 | 0 | 0 | 0 | 0 | 109.6 | V149 | V149-T151 HydrophobicContact CG1-CG2 4.45Å; V149-T151 PolarHBondContact O-N 3.22Å | ||
| 152 | S | 38.9 | Very low | 45.4 | Very low | 113 Ų | 113 | 146.8 Ų | 146.8 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | -83.2 | 118.3 | 168.3 | -57.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 153 | V | 40 | Very low | 45.2 | Very low | 136 Ų | 136 | 151.3 Ų | 151.3 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | trans | -104.1 | 108.7 | 166.6 | -176.7 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 154 | T | 46.9 | Very low | 45.3 | Very low | 133 Ų | 133 | 148.6 Ų | 148.6 | 82% | 0.816 | 79% | 0.785 | S | S | * | * | trans | -78.6 | 128 | 169.6 | -38.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 155 | L | 52 | Low | 45.4 | Very low | 238 Ų | 238 | 148.3 Ų | 148.3 | 100% | 1.246 | 78% | 0.784 | S | S | * | * | trans | -59.5 | 0 | 172.3 | -89.2 | 156.7 | 0 | 0 | 0 | 112.2 |
Retrieved 155 of 155 residues in 63.5 ms
(Link to these results)