| 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 | 37.8 | Very low | 40.2 | Very low | 243 Ų | 243 | 172.4 Ų | 172.4 | 100% | 1.197 | 85% | 0.851 | S | S | * | * | 0 | 86.9 | 0 | -72.5 | 165 | 60 | 0 | 0 | 105.6 | |||||
| 2 | S | 41.8 | Very low | 40.1 | Very low | 111 Ų | 111 | 164.8 Ų | 164.8 | 78% | 0.776 | 84% | 0.837 | S | S | * | * | trans | -101.1 | 111.7 | 177.1 | 43.5 | 0 | 0 | 0 | 0 | 106.1 | E4 | S2-E4 PolarHBondContact O-N 3.41Š| ||
| 3 | E | 44.5 | Very low | 40.6 | Very low | 188 Ų | 188 | 162 Ų | 162 | 88% | 0.879 | 83% | 0.832 | S | S | * | * | trans | -75.9 | 111.1 | 171 | -71.5 | 169.9 | 156.8 | 0 | 0 | 106.8 | E5 | E3-E5 PolarHBondContact O-N 3.24Š| ||
| 4 | E | 46.2 | Very low | 41.6 | Very low | 184 Ų | 184 | 154.1 Ų | 154.1 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -75.2 | 106.5 | 164.5 | -74.1 | 175.6 | 152.7 | 0 | 0 | 106.7 | S2 E6 | S2-E4 PolarHBondContact O-N 3.41Å; E4-E6 PolarHBondContact O-N 3.18Å | ||
| 5 | E | 43 | Very low | 43.2 | Very low | 191 Ų | 191 | 151.5 Ų | 151.5 | 89% | 0.893 | 77% | 0.774 | S | S | * | * | trans | -71.6 | 100.5 | 167.1 | -75 | -179.7 | 148.2 | 0 | 0 | 108.2 | E3 E7 | E3-E5 PolarHBondContact O-N 3.24Å; E5-E7 PolarHBondContact O-N 2.75Å; E5-E7 VanDerWaalsContact O-N 3.11Å | ||
| 6 | E | 40.4 | Very low | 44.8 | Very low | 179 Ų | 179 | 151.8 Ų | 151.8 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | trans | -65.3 | 103.6 | 165.8 | -90.5 | -174.9 | 149.9 | 0 | 0 | 109.4 | E4 H8 | E4-E6 PolarHBondContact O-N 3.18Å; E6-H8 PolarHBondContact O-N 2.64Å | ||
| 7 | E | 39.1 | Very low | 46.4 | Very low | 174 Ų | 174 | 151.1 Ų | 151.1 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | trans | -67.1 | 94.9 | 172.4 | -157.5 | 175.7 | -162.1 | 0 | 0 | 109.3 | E5 T9 | E5-E7 PolarHBondContact O-N 2.75Å; E5-E7 VanDerWaalsContact O-N 3.11Å; E7-T9 PolarHBondContact O-N 3.38Å | ||
| 8 | H | 40.6 | Very low | 48.1 | Very low | 182 Ų | 182 | 144.7 Ų | 144.7 | 84% | 0.843 | 74% | 0.743 | S | S | * | * | trans | -71.3 | 77.9 | 178.5 | -142.7 | 70.7 | 0 | 0 | 0 | 109.7 | E6 S10 | E6-H8 PolarHBondContact O-N 2.64Å; H8-S10 VanDerWaalsContact C-N 3.34Å; H8-S10 PolarHBondContact O-N 3.17Å | ||
| 9 | T | 38.1 | Very low | 50.1 | Low | 107 Ų | 107 | 142.8 Ų | 142.8 | 66% | 0.656 | 74% | 0.735 | S | S | * | * | trans | -68.6 | 92.8 | 171.6 | 42.9 | 0 | 0 | 0 | 0 | 108.8 | E7 R11 | E7-T9 PolarHBondContact O-N 3.38Å; T9-R11 VanDerWaalsContact C-N 3.29Å; T9-R11 PolarHBondContact O-N 3.11Å | ||
| 10 | S | 35.1 | Very low | 51.8 | Low | 106 Ų | 106 | 140.7 Ų | 140.7 | 74% | 0.741 | 73% | 0.73 | S | S | * | * | trans | -58.7 | 95.2 | 164.2 | 53.3 | 0 | 0 | 0 | 0 | 108.1 | H8 A12 | H8-S10 VanDerWaalsContact C-N 3.34Å; H8-S10 PolarHBondContact O-N 3.17Å; S10-A12 PolarHBondContact O-N 2.82Å | ||
| 11 | R | 36.1 | Very low | 53.8 | Low | 231 Ų | 231 | 135.5 Ų | 135.5 | 87% | 0.872 | 71% | 0.711 | S | S | * | * | trans | -69 | 60 | 167.9 | -73.3 | 175.3 | 79.5 | 145.3 | 1.4 | 109.4 | T9 V13 | T9-R11 VanDerWaalsContact C-N 3.29Å; T9-R11 PolarHBondContact O-N 3.11Å; R11-V13 PolarHBondContact O-N 2.97Å | ||
| 12 | A | 39.1 | Very low | 56.5 | Low | 82 Ų | 82 | 127.9 Ų | 127.9 | 68% | 0.678 | 68% | 0.675 | S | S | * | * | trans | -56.4 | 121.6 | 157.4 | 0 | 0 | 0 | 0 | 0 | 105.6 | S10 C14 | S10-A12 PolarHBondContact O-N 2.82Å; A12-C14 PolarHBondContact O-N 2.98Å | ||
| 13 | V | 46.4 | Very low | 59 | Low | 128 Ų | 128 | 123.5 Ų | 123.5 | 78% | 0.776 | 64% | 0.642 | S | S | * | * | trans | -65.2 | 91.7 | 176.6 | 176.1 | 0 | 0 | 0 | 0 | 106.2 | R11 W15 | R11-V13 PolarHBondContact O-N 2.97Å; V13-W15 PolarHBondContact O-N 3.2Å; V13-W15 VanDerWaalsContact O-N 3.13Å | ||
| 14 | C | 54.1 | Low | 61.4 | Low | 51 Ų | 51 | 116.8 Ų | 116.8 | 35% | 0.345 | 62% | 0.618 | S | S | . | * | trans | -75.3 | 102.9 | 175.5 | -156.8 | 0 | 0 | 0 | 0 | 107 | A12 E16 N17 | A12-C14 PolarHBondContact O-N 2.98Å; C14-E16 PolarHBondContact O-N 3.36Å; C14-E16 VanDerWaalsContact O-N 3.09Å; C14-E16 VanDerWaalsContact SG-CG 3.53Å; C14-E16 PolarHBondContact SG-OE2 2.75Å; C14-N17 PolarHBondContact O-N 2.98Å | ||
| 15 | W | 65.9 | Low | 63.8 | Low | 116 Ų | 116 | 111.5 Ų | 111.5 | 44% | 0.439 | 59% | 0.594 | S | S | . | * | G | 310 helix | trans | -57.8 | -18.5 | 175.9 | 41.3 | 75.8 | 0 | 0 | 0 | 112.5 | V13 N17 A18 V67 F75 | V13-W15 PolarHBondContact O-N 3.2Å; V13-W15 VanDerWaalsContact O-N 3.13Å; W15-N17 PolarHBondContact O-N 3.4Å; W15-N17 VanDerWaalsContact O-N 3.11Å; W15-A18 VanDerWaalsContact O-CB 3.28Å; W15-A18 WeakPolarHBondContact O-CB 3.39Å; W15-A18 PolarHBondContact O-N 3.08Å; W15-V67 HydrophobicContact CH2-CB 4.46Å; W15-V67 HydrophobicContact CH2-CG1 3.62Å; W15-V67 HydrophobicContact CH2-CG2 4.19Å; W15-V67 HydrophobicContact CZ2-CB 4.21Å; W15-V67 HydrophobicContact CZ2-CG1 3.26Å; W15-V67 HydrophobicContact CZ2-CG2 3.86Å; W15-F75 HydrophobicContact CB-CE2 4.45Å; W15-F75 HydrophobicContact CB-CZ 3.85Å; W15-F75 HydrophobicContact CG-CZ 4.39Å |
| 16 | E | 67.9 | Low | 66.4 | Low | 155 Ų | 155 | 103 Ų | 103 | 72% | 0.724 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -54.2 | -27 | 171.5 | -61.7 | 174 | 175.3 | 0 | 0 | 113.1 | C14 | C14-E16 PolarHBondContact O-N 3.36Å; C14-E16 VanDerWaalsContact O-N 3.09Å; C14-E16 VanDerWaalsContact SG-CG 3.53Å; C14-E16 PolarHBondContact SG-OE2 2.75Å |
| 17 | N | 73.3 | Confident | 69.1 | Low | 140 Ų | 140 | 96.3 Ų | 96.3 | 75% | 0.749 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -104.6 | 8.7 | 178.2 | -63.6 | -59.8 | 0 | 0 | 0 | 113.5 | C14 W15 D19 | C14-N17 PolarHBondContact O-N 2.98Å; W15-N17 PolarHBondContact O-N 3.4Å; W15-N17 VanDerWaalsContact O-N 3.11Å; N17-D19 PolarHBondContact O-N 2.88Å |
| 18 | A | 75.8 | Confident | 71.8 | Confident | 36 Ų | 36 | 94.6 Ų | 94.6 | 30% | 0.298 | 51% | 0.507 | S | S | . | . | trans | -67.6 | 130.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | W15 P20 F23 | W15-A18 VanDerWaalsContact O-CB 3.28Å; W15-A18 WeakPolarHBondContact O-CB 3.39Å; W15-A18 PolarHBondContact O-N 3.08Å; A18-P20 VanDerWaalsContact O-CD 3.32Å; A18-P20 WeakPolarHBondContact O-CD 3.44Å; A18-F23 HydrophobicContact CB-CE2 4.32Å; A18-F23 HydrophobicContact CB-CZ 4.3Å | ||
| 19 | D | 86.4 | Confident | 74.5 | Confident | 110 Ų | 110 | 92.2 Ų | 92.2 | 59% | 0.588 | 49% | 0.491 | S | S | * | . | trans | -60.2 | 121.9 | 173.4 | 174.3 | 14.7 | 0 | 0 | 0 | 109.5 | N17 G21 L22 | N17-D19 PolarHBondContact O-N 2.88Å; D19-G21 PolarHBondContact O-N 3.09Å; D19-G21 PolarHBondContact OD1-N 3.01Å; D19-L22 WeakPolarHBondContact O-CB 3.39Å; D19-L22 PolarHBondContact O-N 2.89Å | ||
| 20 | P | 85 | Confident | 77.3 | Confident | 99 Ų | 99 | 89 Ų | 89 | 64% | 0.643 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -53.8 | -25.5 | 174 | -26.1 | 35.1 | 0 | 0 | 0 | 113.5 | A18 L22 F23 A24 | A18-P20 VanDerWaalsContact O-CD 3.32Å; A18-P20 WeakPolarHBondContact O-CD 3.44Å; P20-L22 PolarHBondContact O-N 3.39Å; P20-F23 PolarHBondContact O-N 2.87Å; P20-A24 PolarHBondContact O-N 3.29Å |
| 21 | G | 93.2 | Very high | 80.2 | Confident | 32 Ų | 32 | 84.2 Ų | 84.2 | 33% | 0.33 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -58.8 | -28.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114 | D19 F23 A24 E25 | D19-G21 PolarHBondContact O-N 3.09Å; D19-G21 PolarHBondContact OD1-N 3.01Å; G21-F23 PolarHBondContact O-N 2.95Å; G21-A24 PolarHBondContact O-N 2.94Å; G21-E25 WeakPolarHBondContact O-CB 3.41Å; G21-E25 PolarHBondContact O-N 3.11Å |
| 22 | L | 94.1 | Very high | 83 | Confident | 83 Ų | 83 | 76 Ų | 76 | 44% | 0.435 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -58.4 | -48 | 176.7 | -179.7 | 147.2 | 0 | 0 | 0 | 111.6 | D19 P20 E25 N26 | D19-L22 WeakPolarHBondContact O-CB 3.39Å; D19-L22 PolarHBondContact O-N 2.89Å; P20-L22 PolarHBondContact O-N 3.39Å; L22-E25 PolarHBondContact O-N 3.26Å; L22-N26 VanDerWaalsContact O-CG 3.31Å; L22-N26 PolarHBondContact O-N 3.41Å |
| 23 | F | 94.7 | Very high | 85.8 | Confident | 20 Ų | 20 | 76.5 Ų | 76.5 | 9% | 0.088 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -71.7 | -34.2 | -178 | -52.4 | -70.7 | 0 | 0 | 0 | 111.6 | A18 P20 G21 E25 N26 R27 F75 | A18-F23 HydrophobicContact CB-CE2 4.32Å; A18-F23 HydrophobicContact CB-CZ 4.3Å; P20-F23 PolarHBondContact O-N 2.87Å; G21-F23 PolarHBondContact O-N 2.95Å; F23-E25 VanDerWaalsContact C-N 3.35Å; F23-N26 PolarHBondContact O-N 2.95Å; F23-R27 WeakPolarHBondContact O-CG 3.37Å; F23-R27 PolarHBondContact O-N 2.74Å; F23-R27 PolarHBondContact O-NH1 2.81Å; F23-F75 WeakPolarHBondContact CD1-O 3.36Å; F23-F75 HydrophobicContact CE1-CZ 4.44Å; F23-F75 WeakPolarHBondContact CE1-O 3.34Å; F23-F75 HydrophobicContact CZ-CZ 4.34Å |
| 24 | A | 95.8 | Very high | 88.1 | Confident | 46 Ų | 46 | 72.7 Ų | 72.7 | 38% | 0.38 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63 | -42.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | P20 G21 R27 R28 | P20-A24 PolarHBondContact O-N 3.29Å; G21-A24 PolarHBondContact O-N 2.94Å; A24-R27 PolarHBondContact O-N 3.2Å; A24-R28 PolarHBondContact O-N 2.97Å |
| 25 | E | 96.7 | Very high | 90 | Very high | 74 Ų | 74 | 73.8 Ų | 73.8 | 35% | 0.346 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.8 | -40.3 | 175.6 | 176.4 | 54.4 | -156.5 | 0 | 0 | 111.9 | G21 L22 F23 R27 R28 R29 | G21-E25 WeakPolarHBondContact O-CB 3.41Å; G21-E25 PolarHBondContact O-N 3.11Å; L22-E25 PolarHBondContact O-N 3.26Å; F23-E25 VanDerWaalsContact C-N 3.35Å; E25-R27 PolarHBondContact O-N 3.41Å; E25-R28 VanDerWaalsContact CD-NH2 3.34Å; E25-R28 WeakPolarHBondContact O-CB 3.39Å; E25-R28 PolarHBondContact O-N 3.43Å; E25-R28 IonicContact OE1-CZ 3.45Å; E25-R28 IonicContact OE1-NE 3.54Å; E25-R28 IonicContact OE1-NH2 2.64Å; E25-R28 PolarHBondContact OE1-NH2 3.18Å; E25-R28 IonicContact OE2-CZ 3.41Å; E25-R28 IonicContact OE2-NE 2.75Å; E25-R28 PolarHBondContact OE2-NE 3.02Å; E25-R28 IonicContact OE2-NH2 3.24Å; E25-R28 PolarHBondContact OE2-NH2 3.34Å; E25-R29 WeakPolarHBondContact O-CG 3.23Å; E25-R29 PolarHBondContact O-N 3.47Å; E25-R29 WeakPolarHBondContact OE1-CD 3.43Å; E25-R29 WeakPolarHBondContact OE1-CG 3.46Å |
| 26 | N | 96.8 | Very high | 91.4 | Very high | 12 Ų | 12 | 72.5 Ų | 72.5 | 6% | 0.064 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -59.1 | -46.9 | 174.4 | -72.8 | -14.6 | 0 | 0 | 0 | 111.9 | L22 F23 R28 R29 L30 W76 | L22-N26 VanDerWaalsContact O-CG 3.31Å; L22-N26 PolarHBondContact O-N 3.41Å; F23-N26 PolarHBondContact O-N 2.95Å; N26-R28 VanDerWaalsContact C-N 3.32Å; N26-R28 PolarHBondContact O-N 3.4Å; N26-R29 PolarHBondContact O-N 3.36Å; N26-L30 WeakPolarHBondContact O-CB 3.36Å; N26-L30 PolarHBondContact O-N 3.48Å; N26-W76 HydrophobicContact CB-CD2 4.09Å; N26-W76 HydrophobicContact CB-CE3 4.18Å; N26-W76 HydrophobicContact CB-CH2 3.72Å; N26-W76 HydrophobicContact CB-CZ2 3.59Å; N26-W76 HydrophobicContact CB-CZ3 4.01Å; N26-W76 WeakPolarHBondContact CB-O 3.34Å; N26-W76 VanDerWaalsContact CG-CE2 3.47Å; N26-W76 PolarHBondContact ND2-NE1 3.08Å; N26-W76 PolarHBondContact ND2-O 2.84Å; N26-W76 WeakPolarHBondContact O-CH2 3.24Å |
| 27 | R | 97 | Very high | 92.6 | Very high | 38 Ų | 38 | 69 Ų | 69 | 14% | 0.143 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61 | -40.4 | 175.7 | -69.2 | -171.1 | -59.5 | -86.9 | 6.7 | 112.3 | F23 A24 E25 L30 C31 T77 V89 S96 | F23-R27 WeakPolarHBondContact O-CG 3.37Å; F23-R27 PolarHBondContact O-N 2.74Å; F23-R27 PolarHBondContact O-NH1 2.81Å; A24-R27 PolarHBondContact O-N 3.2Å; E25-R27 PolarHBondContact O-N 3.41Å; R27-L30 PolarHBondContact O-N 2.99Å; R27-C31 PolarHBondContact O-N 3.48Å; R27-C31 PolarHBondContact O-SG 3.23Å; R27-C31 VanDerWaalsContact O-SG 3.36Å; R27-T77 WeakPolarHBondContact CD-O 3.48Å; R27-T77 HydrophobicContact CG-CG2 3.72Å; R27-T77 VanDerWaalsContact CG-O 3.26Å; R27-T77 WeakPolarHBondContact CG-O 3.47Å; R27-T77 PolarHBondContact NH1-O 2.8Å; R27-V89 HydrophobicContact CG-CG2 4.26Å; R27-S96 PolarHBondContact NE-OG 2.92Å |
| 28 | R | 96.6 | Very high | 93.6 | Very high | 138 Ų | 138 | 66.5 Ų | 66.5 | 52% | 0.521 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60 | -48.9 | 175.8 | -169 | -172.3 | 69.6 | 78.7 | -2.5 | 111.1 | A24 E25 N26 L30 C31 S32 | A24-R28 PolarHBondContact O-N 2.97Å; E25-R28 VanDerWaalsContact CD-NH2 3.34Å; E25-R28 WeakPolarHBondContact O-CB 3.39Å; E25-R28 PolarHBondContact O-N 3.43Å; E25-R28 IonicContact OE1-CZ 3.45Å; E25-R28 IonicContact OE1-NE 3.54Å; E25-R28 IonicContact OE1-NH2 2.64Å; E25-R28 PolarHBondContact OE1-NH2 3.18Å; E25-R28 IonicContact OE2-CZ 3.41Å; E25-R28 IonicContact OE2-NE 2.75Å; E25-R28 PolarHBondContact OE2-NE 3.02Å; E25-R28 IonicContact OE2-NH2 3.24Å; E25-R28 PolarHBondContact OE2-NH2 3.34Å; N26-R28 VanDerWaalsContact C-N 3.32Å; N26-R28 PolarHBondContact O-N 3.4Å; R28-L30 VanDerWaalsContact C-N 3.34Å; R28-L30 PolarHBondContact O-N 3.36Å; R28-C31 PolarHBondContact O-N 2.95Å; R28-S32 PolarHBondContact O-N 3.39Å; R28-S32 PolarHBondContact O-OG 2.87Å |
| 29 | R | 97.2 | Very high | 94.3 | Very high | 132 Ų | 132 | 68.4 Ų | 68.4 | 50% | 0.498 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.8 | -41.3 | 177.6 | -70.4 | 170.8 | 62.1 | -165.9 | 0.1 | 112.1 | E25 N26 S32 T33 | E25-R29 WeakPolarHBondContact O-CG 3.23Å; E25-R29 PolarHBondContact O-N 3.47Å; E25-R29 WeakPolarHBondContact OE1-CD 3.43Å; E25-R29 WeakPolarHBondContact OE1-CG 3.46Å; N26-R29 PolarHBondContact O-N 3.36Å; R29-S32 PolarHBondContact O-N 3.03Å; R29-T33 WeakPolarHBondContact O-CB 3.45Å; R29-T33 PolarHBondContact O-N 3.47Å; R29-T33 PolarHBondContact O-OG1 2.87Å |
| 30 | L | 96.4 | Very high | 94.4 | Very high | 41 Ų | 41 | 67 Ų | 67 | 22% | 0.215 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60.6 | -51.7 | 176.8 | -179.1 | 62.1 | 0 | 0 | 0 | 111.2 | N26 R27 R28 S32 T33 I34 I45 W76 | N26-L30 WeakPolarHBondContact O-CB 3.36Å; N26-L30 PolarHBondContact O-N 3.48Å; R27-L30 PolarHBondContact O-N 2.99Å; R28-L30 VanDerWaalsContact C-N 3.34Å; R28-L30 PolarHBondContact O-N 3.36Å; L30-S32 PolarHBondContact O-N 3.3Å; L30-T33 PolarHBondContact O-N 3.34Å; L30-I34 HydrophobicContact CD1-CD1 4.02Å; L30-I34 HydrophobicContact CD1-CG1 4.44Å; L30-I34 HydrophobicContact CG-CD1 4.13Å; L30-I34 WeakPolarHBondContact O-CG1 3.14Å; L30-I34 PolarHBondContact O-N 3.15Å; L30-I45 HydrophobicContact CD1-CD1 4.49Å; L30-I45 HydrophobicContact CD2-CD1 3.43Å; L30-I45 VanDerWaalsContact CD2-CD1 3.43Å; L30-I45 HydrophobicContact CD2-CG2 4.47Å; L30-I45 HydrophobicContact CG-CD1 3.62Å; L30-W76 HydrophobicContact CB-CH2 4.19Å; L30-W76 HydrophobicContact CB-CZ3 4.12Å; L30-W76 HydrophobicContact CD2-CZ3 4.24Å |
| 31 | C | 96.3 | Very high | 94.6 | Very high | 5 Ų | 5 | 64.5 Ų | 64.5 | 3% | 0.034 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -59.2 | -45.8 | 177.7 | -70.2 | 0 | 0 | 0 | 0 | 112.1 | R27 R28 T33 I34 Q35 | R27-C31 PolarHBondContact O-N 3.48Å; R27-C31 PolarHBondContact O-SG 3.23Å; R27-C31 VanDerWaalsContact O-SG 3.36Å; R28-C31 PolarHBondContact O-N 2.95Å; C31-T33 VanDerWaalsContact C-N 3.31Å; C31-T33 PolarHBondContact O-N 2.96Å; C31-I34 PolarHBondContact O-N 3Å; C31-Q35 WeakPolarHBondContact O-CB 3.45Å; C31-Q35 VanDerWaalsContact O-CG 3.23Å; C31-Q35 WeakPolarHBondContact O-CG 3.21Å; C31-Q35 PolarHBondContact O-N 3.36Å |
| 32 | S | 95.5 | Very high | 94.5 | Very high | 57 Ų | 57 | 67 Ų | 67 | 40% | 0.399 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61 | -39.2 | 177.1 | -63.1 | 0 | 0 | 0 | 0 | 112.7 | R28 R29 L30 A36 | R28-S32 PolarHBondContact O-N 3.39Å; R28-S32 PolarHBondContact O-OG 2.87Å; R29-S32 PolarHBondContact O-N 3.03Å; L30-S32 PolarHBondContact O-N 3.3Å; S32-A36 WeakPolarHBondContact O-CB 3.26Å; S32-A36 PolarHBondContact O-N 3.28Å; S32-A36 VanDerWaalsContact O-N 3.09Å |
| 33 | T | 96.2 | Very high | 94.5 | Very high | 93 Ų | 93 | 64.6 Ų | 64.6 | 57% | 0.571 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -67.1 | -43.8 | 178.9 | -55.9 | 0 | 0 | 0 | 0 | 111.2 | R29 L30 C31 A36 A37 | R29-T33 WeakPolarHBondContact O-CB 3.45Å; R29-T33 PolarHBondContact O-N 3.47Å; R29-T33 PolarHBondContact O-OG1 2.87Å; L30-T33 PolarHBondContact O-N 3.34Å; C31-T33 VanDerWaalsContact C-N 3.31Å; C31-T33 PolarHBondContact O-N 2.96Å; T33-A36 PolarHBondContact O-N 2.65Å; T33-A37 WeakPolarHBondContact O-CB 3.29Å; T33-A37 PolarHBondContact O-N 3.23Å |
| 34 | I | 95.2 | Very high | 94.5 | Very high | 49 Ų | 49 | 68.7 Ų | 68.7 | 25% | 0.251 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65.3 | -47.5 | 178.4 | -68.6 | 173.4 | 0 | 0 | 0 | 110.7 | L30 C31 A36 A37 T38 I45 V91 | L30-I34 HydrophobicContact CD1-CD1 4.02Å; L30-I34 HydrophobicContact CD1-CG1 4.44Å; L30-I34 HydrophobicContact CG-CD1 4.13Å; L30-I34 WeakPolarHBondContact O-CG1 3.14Å; L30-I34 PolarHBondContact O-N 3.15Å; C31-I34 PolarHBondContact O-N 3Å; I34-A36 VanDerWaalsContact C-N 3.26Å; I34-A36 PolarHBondContact O-N 3.02Å; I34-A37 PolarHBondContact O-N 2.78Å; I34-A37 VanDerWaalsContact O-N 3.08Å; I34-T38 HydrophobicContact CG2-CG2 4.13Å; I34-T38 PolarHBondContact O-N 2.78Å; I34-T38 PolarHBondContact O-OG1 3.26Å; I34-I45 HydrophobicContact CD1-CD1 3.36Å; I34-I45 HydrophobicContact CD1-CG1 3.79Å; I34-V91 HydrophobicContact CB-CG1 4.4Å; I34-V91 HydrophobicContact CG2-CG1 4.03Å; I34-V91 HydrophobicContact CG2-CG2 4.19Å |
| 35 | Q | 94.1 | Very high | 94.6 | Very high | 74 Ų | 74 | 67.7 Ų | 67.7 | 35% | 0.346 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -56.7 | -41.4 | 177.6 | -71.6 | 173.1 | 15.4 | 0 | 0 | 112.1 | C31 G39 V91 | C31-Q35 WeakPolarHBondContact O-CB 3.45Å; C31-Q35 VanDerWaalsContact O-CG 3.23Å; C31-Q35 WeakPolarHBondContact O-CG 3.21Å; C31-Q35 PolarHBondContact O-N 3.36Å; Q35-G39 WeakPolarHBondContact O-CA 3.31Å; Q35-G39 PolarHBondContact O-N 3.4Å; Q35-V91 HydrophobicContact CG-CG1 3.58Å; Q35-V91 PolarHBondContact NE2-O 3.05Å |
| 36 | A | 94.8 | Very high | 94.6 | Very high | 88 Ų | 88 | 69.6 Ų | 69.6 | 73% | 0.727 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -69.1 | -35.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S32 T33 I34 | S32-A36 WeakPolarHBondContact O-CB 3.26Å; S32-A36 PolarHBondContact O-N 3.28Å; S32-A36 VanDerWaalsContact O-N 3.09Å; T33-A36 PolarHBondContact O-N 2.65Å; I34-A36 VanDerWaalsContact C-N 3.26Å; I34-A36 PolarHBondContact O-N 3.02Å |
| 37 | A | 94.8 | Very high | 94.6 | Very high | 83 Ų | 83 | 70.8 Ų | 70.8 | 69% | 0.686 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -78.3 | -37.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | T33 I34 | T33-A37 WeakPolarHBondContact O-CB 3.29Å; T33-A37 PolarHBondContact O-N 3.23Å; I34-A37 PolarHBondContact O-N 2.78Å; I34-A37 VanDerWaalsContact O-N 3.08Å |
| 38 | T | 93 | Very high | 94.6 | Very high | 87 Ų | 87 | 75.4 Ų | 75.4 | 53% | 0.534 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -97 | -25.2 | -175.2 | 62.4 | 0 | 0 | 0 | 0 | 113.2 | I34 D40 | I34-T38 HydrophobicContact CG2-CG2 4.13Å; I34-T38 PolarHBondContact O-N 2.78Å; I34-T38 PolarHBondContact O-OG1 3.26Å; T38-D40 PolarHBondContact O-N 3.13Å; T38-D40 PolarHBondContact OG1-N 2.83Å; T38-D40 VanDerWaalsContact OG1-N 3.11Å; T38-D40 PolarHBondContact OG1-O 2.88Å |
| 39 | G | 90.6 | Very high | 94.5 | Very high | 75 Ų | 75 | 69.1 Ų | 69.1 | 77% | 0.773 | 42% | 0.418 | S | S | * | . | S | Bend | trans | 67.9 | 2.9 | -167.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q35 | Q35-G39 WeakPolarHBondContact O-CA 3.31Å; Q35-G39 PolarHBondContact O-N 3.4Å |
| 40 | D | 88.5 | Confident | 94.1 | Very high | 82 Ų | 82 | 63.4 Ų | 63.4 | 44% | 0.439 | 40% | 0.4 | S | S | . | . | trans | -121 | 132.6 | 178.6 | -173.1 | 11.2 | 0 | 0 | 0 | 110.8 | T38 S42 | T38-D40 PolarHBondContact O-N 3.13Å; T38-D40 PolarHBondContact OG1-N 2.83Å; T38-D40 VanDerWaalsContact OG1-N 3.11Å; T38-D40 PolarHBondContact OG1-O 2.88Å; D40-S42 VanDerWaalsContact CG-OG 3.28Å; D40-S42 VanDerWaalsContact OD1-CB 3.31Å; D40-S42 WeakPolarHBondContact OD1-CB 3.26Å; D40-S42 PolarHBondContact OD1-N 3.26Å; D40-S42 PolarHBondContact OD1-OG 3.41Å; D40-S42 PolarHBondContact OD2-OG 3.05Å | ||
| 41 | S | 89.7 | Confident | 93.7 | Very high | 45 Ų | 45 | 65.7 Ų | 65.7 | 32% | 0.315 | 42% | 0.417 | S | S | . | . | trans | -100.8 | -3 | 178.8 | 59.3 | 0 | 0 | 0 | 0 | 113.2 | G43 K92 | S41-G43 PolarHBondContact O-N 3.41Å; S41-K92 WeakPolarHBondContact O-CA 3.43Å; S41-K92 VanDerWaalsContact O-CB 3.26Å; S41-K92 WeakPolarHBondContact O-CB 3.49Å; S41-K92 PolarHBondContact O-N 3.2Å | ||
| 42 | S | 91.4 | Very high | 93.2 | Very high | 85 Ų | 85 | 69.6 Ų | 69.6 | 59% | 0.594 | 44% | 0.435 | S | S | * | . | trans | -71.3 | -14.7 | -173.8 | 77.8 | 0 | 0 | 0 | 0 | 114.9 | D40 | D40-S42 VanDerWaalsContact CG-OG 3.28Å; D40-S42 VanDerWaalsContact OD1-CB 3.31Å; D40-S42 WeakPolarHBondContact OD1-CB 3.26Å; D40-S42 PolarHBondContact OD1-N 3.26Å; D40-S42 PolarHBondContact OD1-OG 3.41Å; D40-S42 PolarHBondContact OD2-OG 3.05Å | ||
| 43 | G | 92.8 | Very high | 92.8 | Very high | 33 Ų | 33 | 73 Ų | 73 | 34% | 0.34 | 45% | 0.445 | S | S | . | . | trans | -68.1 | 155.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | S41 V91 | S41-G43 PolarHBondContact O-N 3.41Å; G43-V91 VanDerWaalsContact O-CB 3.29Å; G43-V91 WeakPolarHBondContact O-CB 3.4Å; G43-V91 VanDerWaalsContact O-CG2 3.26Å; G43-V91 WeakPolarHBondContact O-CG2 3.4Å; G43-V91 PolarHBondContact O-N 3.04Å | ||
| 44 | I | 96.1 | Very high | 92.4 | Very high | 105 Ų | 105 | 71.5 Ų | 71.5 | 54% | 0.538 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 130.9 | 167.3 | -57.5 | -60.8 | 0 | 0 | 0 | 107.7 | A88 C90 | I44-A88 HydrophobicContact CG2-CB 4.05Å; I44-C90 HydrophobicContact CD1-CB 3.84Å |
| 45 | I | 96.5 | Very high | 92 | Very high | 25 Ų | 25 | 72.3 Ų | 72.3 | 13% | 0.128 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 126.3 | 168.6 | -49.2 | 173.7 | 0 | 0 | 0 | 106.2 | L30 I34 L47 A88 V89 V91 | L30-I45 HydrophobicContact CD1-CD1 4.49Å; L30-I45 HydrophobicContact CD2-CD1 3.43Å; L30-I45 VanDerWaalsContact CD2-CD1 3.43Å; L30-I45 HydrophobicContact CD2-CG2 4.47Å; L30-I45 HydrophobicContact CG-CD1 3.62Å; I34-I45 HydrophobicContact CD1-CD1 3.36Å; I34-I45 HydrophobicContact CD1-CG1 3.79Å; I45-L47 HydrophobicContact CG2-CD2 4.32Å; I45-L47 HydrophobicContact CG2-CG 4.16Å; I45-A88 CarbonylContact O-C 3.46Å; I45-A88 WeakPolarHBondContact O-CA 3.34Å; I45-V89 HydrophobicContact CB-CB 4.25Å; I45-V89 HydrophobicContact CD1-CB 4.29Å; I45-V89 PolarHBondContact N-O 2.93Å; I45-V89 PolarHBondContact O-N 3.3Å; I45-V91 HydrophobicContact CD1-CG2 4.17Å; I45-V91 HydrophobicContact CG1-CG2 3.79Å |
| 46 | F | 97.6 | Very high | 91.7 | Very high | 114 Ų | 114 | 78.4 Ų | 78.4 | 50% | 0.5 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 128.1 | 174.2 | -179.1 | -96.2 | 0 | 0 | 0 | 108.4 | E86 G87 A88 | F46-E86 HydrophobicContact CE2-CB 4.12Å; F46-E86 HydrophobicContact CZ-CB 4.03Å; F46-E86 HydrophobicContact CZ-CG 4.13Å; F46-E86 WeakPolarHBondContact CZ-OE2 3.34Å; F46-G87 WeakPolarHBondContact CA-O 3.46Å; F46-A88 HydrophobicContact CD2-CB 4.46Å |
| 47 | L | 97.4 | Very high | 91.6 | Very high | 38 Ų | 38 | 81.6 Ų | 81.6 | 20% | 0.199 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 134.6 | 179.4 | -59.5 | 176.7 | 0 | 0 | 0 | 108.8 | I45 F74 T77 F78 G87 | I45-L47 HydrophobicContact CG2-CD2 4.32Å; I45-L47 HydrophobicContact CG2-CG 4.16Å; L47-F74 HydrophobicContact CB-CD2 3.81Å; L47-F74 HydrophobicContact CB-CE2 4.41Å; L47-T77 HydrophobicContact CD1-CG2 3.88Å; L47-T77 VanDerWaalsContact CD1-OG1 3.31Å; L47-T77 WeakPolarHBondContact CD1-OG1 3.32Å; L47-F78 HydrophobicContact CB-CE2 4.37Å; L47-F78 HydrophobicContact CD1-CE2 4.1Å; L47-G87 PolarHBondContact N-O 2.84Å; L47-G87 PolarHBondContact O-N 3.11Å |
| 48 | E | 96.3 | Very high | 91.5 | Very high | 135 Ų | 135 | 80.2 Ų | 80.2 | 63% | 0.631 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98 | 132.3 | 173.5 | -169.4 | 177.4 | 170.5 | 0 | 0 | 108.2 | ||
| 49 | G | 93.4 | Very high | 91.3 | Very high | 6 Ų | 6 | 83.3 Ų | 83.3 | 6% | 0.062 | 46% | 0.464 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 171.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F85 | G49-F85 VanDerWaalsContact CA-O 3.24Å; G49-F85 WeakPolarHBondContact CA-O 3.42Å; G49-F85 PolarHBondContact N-O 3.3Å |
| 50 | G | 89.1 | Confident | 91.1 | Very high | 12 Ų | 12 | 84.3 Ų | 84.3 | 12% | 0.124 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 132 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | P83 E84 | G50-P83 WeakPolarHBondContact O-CA 3.45Å; G50-E84 PolarHBondContact O-N 3.38Å |
| 51 | P | 88.7 | Confident | 90.9 | Very high | 88 Ų | 88 | 82.4 Ų | 82.4 | 57% | 0.571 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -74.3 | 158.7 | 172.4 | 32.1 | -35.1 | 0 | 0 | 0 | 110.6 | Q53 | P51-Q53 PolarHBondContact O-N 3.32Š|
| 52 | E | 86.2 | Confident | 90.1 | Very high | 88 Ų | 88 | 84.2 Ų | 84.2 | 41% | 0.411 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 123.4 | 164 | -169.8 | 175.8 | 93.1 | 0 | 0 | 109.3 | I61 P83 | E52-I61 HydrophobicContact CG-CB 4.31Å; E52-I61 HydrophobicContact CG-CD1 3.88Å; E52-I61 HydrophobicContact CG-CG1 4.04Å; E52-I61 HydrophobicContact CG-CG2 3.34Å; E52-I61 VanDerWaalsContact OE1-CD1 3.26Å; E52-I61 WeakPolarHBondContact OE1-CD1 3.26Å; E52-I61 WeakPolarHBondContact OE1-CG1 3.32Å; E52-P83 HydrophobicContact CB-CB 4.25Å; E52-P83 HydrophobicContact CB-CG 4.44Å |
| 53 | Q | 86 | Confident | 88.9 | Confident | 129 Ų | 129 | 81.1 Ų | 81.1 | 60% | 0.603 | 43% | 0.43 | S | S | * | . | trans | -115.1 | 122.9 | -175 | -171.8 | 174.8 | -16.2 | 0 | 0 | 111.8 | P51 V62 | P51-Q53 PolarHBondContact O-N 3.32Å; Q53-V62 WeakPolarHBondContact O-CB 3.27Å; Q53-V62 WeakPolarHBondContact O-CG2 3.24Å; Q53-V62 PolarHBondContact O-N 2.96Å | ||
| 54 | P | 87.8 | Confident | 87.4 | Confident | 60 Ų | 60 | 86.4 Ų | 86.4 | 39% | 0.39 | 45% | 0.451 | S | S | . | . | B | Isolated β-bridge | trans | -71.3 | 151 | 172.6 | 27.8 | -32.9 | 0 | 0 | 0 | 112 | Y56 T58 I60 | P54-Y56 PolarHBondContact O-N 3.11Å; P54-Y56 VanDerWaalsContact O-N 3.13Å; P54-T58 VanDerWaalsContact CB-O 3.28Å; P54-T58 WeakPolarHBondContact CB-O 3.29Å; P54-I60 CarbonylContact C-O 3.5Å; P54-I60 WeakPolarHBondContact CA-O 3.44Å |
| 55 | L | 87.3 | Confident | 85.3 | Confident | 67 Ų | 67 | 85 Ų | 85 | 35% | 0.351 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -75.8 | 100.9 | 173.9 | -177.5 | 67 | 0 | 0 | 0 | 108.6 | N57 T58 I60 V62 | L55-N57 PolarHBondContact O-N 3.06Å; L55-T58 WeakPolarHBondContact O-CB 3.37Å; L55-T58 PolarHBondContact O-N 3.09Å; L55-T58 PolarHBondContact O-OG1 3.34Å; L55-I60 HydrophobicContact CB-CB 4.08Å; L55-I60 HydrophobicContact CB-CG2 4.23Å; L55-I60 WeakPolarHBondContact CB-O 3.35Å; L55-I60 HydrophobicContact CD2-CB 4.48Å; L55-I60 HydrophobicContact CD2-CD1 4.39Å; L55-I60 HydrophobicContact CD2-CG2 4.26Å; L55-I60 PolarHBondContact N-O 3.43Å; L55-V62 HydrophobicContact CB-CG2 3.9Å; L55-V62 HydrophobicContact CD1-CG2 4.03Å |
| 56 | Y | 88.2 | Confident | 82.9 | Confident | 202 Ų | 202 | 90 Ų | 90 | 79% | 0.792 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | -120.3 | -175.9 | -52.9 | -70.9 | 0 | 0 | 0 | 111.5 | P54 | P54-Y56 PolarHBondContact O-N 3.11Å; P54-Y56 VanDerWaalsContact O-N 3.13Å |
| 57 | N | 92.5 | Very high | 81 | Confident | 155 Ų | 155 | 88.7 Ų | 88.7 | 83% | 0.829 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.7 | 24.2 | 179.2 | 65.7 | -61.3 | 0 | 0 | 0 | 112.3 | L55 | L55-N57 PolarHBondContact O-N 3.06Š|
| 58 | T | 91.8 | Very high | 78.9 | Confident | 54 Ų | 54 | 89.4 Ų | 89.4 | 33% | 0.331 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -100.5 | 164.3 | 173.3 | 71.2 | 0 | 0 | 0 | 0 | 110.3 | P54 L55 I60 | P54-T58 VanDerWaalsContact CB-O 3.28Å; P54-T58 WeakPolarHBondContact CB-O 3.29Å; L55-T58 WeakPolarHBondContact O-CB 3.37Å; L55-T58 PolarHBondContact O-N 3.09Å; L55-T58 PolarHBondContact O-OG1 3.34Å; T58-I60 WeakPolarHBondContact OG1-CB 3.28Å; T58-I60 PolarHBondContact OG1-N 3.02Å |
| 59 | D | 89.8 | Confident | 77.8 | Confident | 152 Ų | 152 | 89 Ų | 89 | 81% | 0.813 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -81.5 | 2.9 | 171 | 59.9 | -25.5 | 0 | 0 | 0 | 113.1 | I61 | D59-I61 PolarHBondContact O-N 2.88Š|
| 60 | I | 86.6 | Confident | 77.4 | Confident | 96 Ų | 96 | 89.3 Ų | 89.3 | 49% | 0.492 | 50% | 0.504 | S | S | . | . | trans | -72.2 | 119.9 | 176.1 | -60 | 170.8 | 0 | 0 | 0 | 108.4 | P54 L55 T58 | P54-I60 CarbonylContact C-O 3.5Å; P54-I60 WeakPolarHBondContact CA-O 3.44Å; L55-I60 HydrophobicContact CB-CB 4.08Å; L55-I60 HydrophobicContact CB-CG2 4.23Å; L55-I60 WeakPolarHBondContact CB-O 3.35Å; L55-I60 HydrophobicContact CD2-CB 4.48Å; L55-I60 HydrophobicContact CD2-CD1 4.39Å; L55-I60 HydrophobicContact CD2-CG2 4.26Å; L55-I60 PolarHBondContact N-O 3.43Å; T58-I60 WeakPolarHBondContact OG1-CB 3.28Å; T58-I60 PolarHBondContact OG1-N 3.02Å | ||
| 61 | I | 83.4 | Confident | 77.5 | Confident | 41 Ų | 41 | 92 Ų | 92 | 21% | 0.21 | 51% | 0.513 | C | S | . | . | B | Isolated β-bridge | trans | -78.4 | 127.3 | 174.9 | -58.1 | -48.1 | 0 | 0 | 0 | 110.1 | E52 D59 G63 D64 | E52-I61 HydrophobicContact CG-CB 4.31Å; E52-I61 HydrophobicContact CG-CD1 3.88Å; E52-I61 HydrophobicContact CG-CG1 4.04Å; E52-I61 HydrophobicContact CG-CG2 3.34Å; E52-I61 VanDerWaalsContact OE1-CD1 3.26Å; E52-I61 WeakPolarHBondContact OE1-CD1 3.26Å; E52-I61 WeakPolarHBondContact OE1-CG1 3.32Å; D59-I61 PolarHBondContact O-N 2.88Å; I61-G63 PolarHBondContact O-N 3.49Å; I61-D64 HydrophobicContact CB-CB 4.21Å; I61-D64 PolarHBondContact O-N 3.3Å |
| 62 | V | 72.7 | Confident | 77.7 | Confident | 83 Ų | 83 | 91.9 Ų | 91.9 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | 103.3 | 173.9 | -179.7 | 0 | 0 | 0 | 0 | 107.9 | Q53 L55 | Q53-V62 WeakPolarHBondContact O-CB 3.27Å; Q53-V62 WeakPolarHBondContact O-CG2 3.24Å; Q53-V62 PolarHBondContact O-N 2.96Å; L55-V62 HydrophobicContact CB-CG2 3.9Å; L55-V62 HydrophobicContact CD1-CG2 4.03Å |
| 63 | G | 66.5 | Low | 78.1 | Confident | 21 Ų | 21 | 94.7 Ų | 94.7 | 22% | 0.216 | 53% | 0.526 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 116.7 | -1.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | I61 G65 N66 V67 | I61-G63 PolarHBondContact O-N 3.49Å; G63-G65 PolarHBondContact O-N 2.88Å; G63-G65 VanDerWaalsContact O-N 3.11Å; G63-N66 CarbonylContact C-O 3.03Å; G63-N66 WeakPolarHBondContact CA-O 3.31Å; G63-N66 CarbonylContact O-C 3.58Å; G63-N66 PolarHBondContact O-N 3.29Å; G63-V67 PolarHBondContact O-N 3.34Å |
| 64 | D | 62.5 | Low | 78.6 | Confident | 144 Ų | 144 | 88.6 Ų | 88.6 | 77% | 0.77 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -18.4 | 173.3 | -155.3 | 23.9 | 0 | 0 | 0 | 112.7 | I61 | I61-D64 HydrophobicContact CB-CB 4.21Å; I61-D64 PolarHBondContact O-N 3.3Å |
| 65 | G | 52 | Low | 78.8 | Confident | 74 Ų | 74 | 88.6 Ų | 88.6 | 76% | 0.763 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.8 | 0 | 165.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | G63 | G63-G65 PolarHBondContact O-N 2.88Å; G63-G65 VanDerWaalsContact O-N 3.11Å |
| 66 | N | 46.2 | Very low | 79.2 | Confident | 132 Ų | 132 | 89.9 Ų | 89.9 | 71% | 0.706 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -143.2 | 91 | -176 | -75.5 | -36.1 | 0 | 0 | 0 | 108.5 | G63 C68 | G63-N66 CarbonylContact C-O 3.03Å; G63-N66 WeakPolarHBondContact CA-O 3.31Å; G63-N66 CarbonylContact O-C 3.58Å; G63-N66 PolarHBondContact O-N 3.29Å; N66-C68 PolarHBondContact O-N 2.82Å |
| 67 | V | 55.9 | Low | 79.5 | Confident | 86 Ų | 86 | 80.4 Ų | 80.4 | 52% | 0.521 | 45% | 0.454 | S | S | . | . | trans | 15.2 | 106 | 164.8 | -178.4 | 0 | 0 | 0 | 0 | 114.1 | W15 G63 V69 | W15-V67 HydrophobicContact CH2-CB 4.46Å; W15-V67 HydrophobicContact CH2-CG1 3.62Å; W15-V67 HydrophobicContact CH2-CG2 4.19Å; W15-V67 HydrophobicContact CZ2-CB 4.21Å; W15-V67 HydrophobicContact CZ2-CG1 3.26Å; W15-V67 HydrophobicContact CZ2-CG2 3.86Å; G63-V67 PolarHBondContact O-N 3.34Å; V67-V69 WeakPolarHBondContact O-CG2 3.5Å; V67-V69 PolarHBondContact O-N 3.46Å | ||
| 68 | C | 54 | Low | 79.7 | Confident | 52 Ų | 52 | 73.8 Ų | 73.8 | 35% | 0.351 | 42% | 0.418 | S | S | . | . | trans | -44.5 | 110.9 | 168.2 | -179.4 | 0 | 0 | 0 | 0 | 109.2 | N66 Q70 | N66-C68 PolarHBondContact O-N 2.82Å; C68-Q70 VanDerWaalsContact C-N 3.33Å; C68-Q70 PolarHBondContact O-N 3.45Å; C68-Q70 VanDerWaalsContact O-N 3.08Å | ||
| 69 | V | 74.1 | Confident | 79.7 | Confident | 128 Ų | 128 | 72.2 Ų | 72.2 | 78% | 0.776 | 41% | 0.413 | S | S | * | . | trans | -84.4 | 92.5 | 178.5 | -175.4 | 0 | 0 | 0 | 0 | 105.8 | V67 | V67-V69 WeakPolarHBondContact O-CG2 3.5Å; V67-V69 PolarHBondContact O-N 3.46Å | ||
| 70 | Q | 85 | Confident | 79.8 | Confident | 11 Ų | 11 | 65.6 Ų | 65.6 | 5% | 0.051 | 38% | 0.378 | C | S | . | . | trans | -52 | 149.1 | 171.7 | -176.5 | 58.6 | -95 | 0 | 0 | 110.9 | C68 S72 F74 F75 V80 E82 | C68-Q70 VanDerWaalsContact C-N 3.33Å; C68-Q70 PolarHBondContact O-N 3.45Å; C68-Q70 VanDerWaalsContact O-N 3.08Å; Q70-S72 PolarHBondContact O-N 3.14Å; Q70-F74 VanDerWaalsContact CD-CD1 3.44Å; Q70-F74 HydrophobicContact CG-CB 4.36Å; Q70-F74 HydrophobicContact CG-CD1 3.83Å; Q70-F75 HydrophobicContact CB-CB 4.07Å; Q70-F75 HydrophobicContact CB-CD2 4.4Å; Q70-F75 HydrophobicContact CG-CB 3.79Å; Q70-V80 WeakPolarHBondContact CG-O 3.31Å; Q70-V80 PolarHBondContact NE2-O 2.98Å; Q70-E82 PolarHBondContact NE2-O 2.83Å | ||
| 71 | E | 90 | Very high | 79.8 | Confident | 69 Ų | 69 | 63.8 Ų | 63.8 | 32% | 0.322 | 37% | 0.371 | S | S | . | . | trans | -55.8 | 130 | 171.6 | -162.8 | -66.5 | 124.5 | 0 | 0 | 109.1 | F73 F74 F75 | E71-F73 PolarHBondContact O-N 2.71Å; E71-F73 VanDerWaalsContact OE1-CD2 3.27Å; E71-F73 WeakPolarHBondContact OE1-CD2 3.34Å; E71-F73 PolarHBondContact OE1-N 2.84Å; E71-F73 VanDerWaalsContact OE2-CA 3.31Å; E71-F73 WeakPolarHBondContact OE2-CA 3.31Å; E71-F73 VanDerWaalsContact OE2-CB 3.24Å; E71-F73 WeakPolarHBondContact OE2-CB 3.16Å; E71-F73 PolarHBondContact OE2-N 2.9Å; E71-F74 HydrophobicContact CB-CB 4.09Å; E71-F74 WeakPolarHBondContact O-CB 3.43Å; E71-F74 PolarHBondContact O-N 2.83Å; E71-F74 VanDerWaalsContact O-N 3.14Å; E71-F74 PolarHBondContact OE2-N 2.9Å; E71-F75 WeakPolarHBondContact O-CB 3.4Å; E71-F75 PolarHBondContact O-N 2.76Å | ||
| 72 | S | 92.6 | Very high | 80.1 | Confident | 86 Ų | 86 | 66.4 Ų | 66.4 | 60% | 0.601 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -66.3 | -34.8 | -164.7 | -67.4 | 0 | 0 | 0 | 0 | 113.3 | Q70 W76 | Q70-S72 PolarHBondContact O-N 3.14Å; S72-W76 WeakPolarHBondContact O-CB 3.36Å; S72-W76 PolarHBondContact O-N 2.89Å |
| 73 | F | 95.5 | Very high | 80.9 | Confident | 147 Ų | 147 | 63.9 Ų | 63.9 | 65% | 0.645 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -71.5 | -38.5 | 174.5 | -63.2 | -76 | 0 | 0 | 0 | 111.4 | E71 W76 T77 | E71-F73 PolarHBondContact O-N 2.71Å; E71-F73 VanDerWaalsContact OE1-CD2 3.27Å; E71-F73 WeakPolarHBondContact OE1-CD2 3.34Å; E71-F73 PolarHBondContact OE1-N 2.84Å; E71-F73 VanDerWaalsContact OE2-CA 3.31Å; E71-F73 WeakPolarHBondContact OE2-CA 3.31Å; E71-F73 VanDerWaalsContact OE2-CB 3.24Å; E71-F73 WeakPolarHBondContact OE2-CB 3.16Å; E71-F73 PolarHBondContact OE2-N 2.9Å; F73-W76 PolarHBondContact O-N 3.2Å; F73-T77 VanDerWaalsContact O-CB 3.31Å; F73-T77 WeakPolarHBondContact O-CB 3.34Å; F73-T77 PolarHBondContact O-N 3.44Å; F73-T77 PolarHBondContact O-OG1 3.45Å |
| 74 | F | 95.6 | Very high | 82 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62 | -50.3 | 175.1 | -166.9 | -96.1 | 0 | 0 | 0 | 111.4 | L47 Q70 E71 W76 T77 F78 V80 F85 L98 | L47-F74 HydrophobicContact CB-CD2 3.81Å; L47-F74 HydrophobicContact CB-CE2 4.41Å; Q70-F74 VanDerWaalsContact CD-CD1 3.44Å; Q70-F74 HydrophobicContact CG-CB 4.36Å; Q70-F74 HydrophobicContact CG-CD1 3.83Å; E71-F74 HydrophobicContact CB-CB 4.09Å; E71-F74 WeakPolarHBondContact O-CB 3.43Å; E71-F74 PolarHBondContact O-N 2.83Å; E71-F74 VanDerWaalsContact O-N 3.14Å; E71-F74 PolarHBondContact OE2-N 2.9Å; F74-W76 PolarHBondContact O-N 3.48Å; F74-T77 PolarHBondContact O-N 3.07Å; F74-T77 VanDerWaalsContact O-N 3.15Å; F74-F78 AromaticContact CD2-CD2 3.88Å; F74-F78 HydrophobicContact CD2-CD2 3.88Å; F74-F78 HydrophobicContact CD2-CE2 4.16Å; F74-F78 HydrophobicContact CE1-CD2 4.42Å; F74-F78 AromaticContact CE2-CD2 3.68Å; F74-F78 HydrophobicContact CE2-CD2 3.68Å; F74-F78 AromaticContact CE2-CE2 3.9Å; F74-F78 HydrophobicContact CE2-CE2 3.9Å; F74-F78 HydrophobicContact CG-CD2 4.3Å; F74-F78 AromaticContact CZ-CD2 3.96Å; F74-F78 HydrophobicContact CZ-CD2 3.96Å; F74-F78 PolarHBondContact O-N 3.5Å; F74-V80 HydrophobicContact CD1-CB 4.45Å; F74-V80 HydrophobicContact CE1-CB 3.73Å; F74-V80 HydrophobicContact CE1-CG1 3.96Å; F74-V80 HydrophobicContact CE1-CG2 4.36Å; F74-F85 HydrophobicContact CE1-CB 3.94Å; F74-F85 HydrophobicContact CZ-CB 3.72Å; F74-L98 HydrophobicContact CZ-CD2 4.19Å |
| 75 | F | 93.1 | Very high | 83.5 | Confident | 60 Ų | 60 | 63.1 Ų | 63.1 | 26% | 0.263 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.2 | -46.3 | 175.9 | -176.4 | -105.2 | 0 | 0 | 0 | 111.6 | W15 F23 Q70 E71 T77 F78 G79 V81 | W15-F75 HydrophobicContact CB-CE2 4.45Å; W15-F75 HydrophobicContact CB-CZ 3.85Å; W15-F75 HydrophobicContact CG-CZ 4.39Å; F23-F75 WeakPolarHBondContact CD1-O 3.36Å; F23-F75 HydrophobicContact CE1-CZ 4.44Å; F23-F75 WeakPolarHBondContact CE1-O 3.34Å; F23-F75 HydrophobicContact CZ-CZ 4.34Å; Q70-F75 HydrophobicContact CB-CB 4.07Å; Q70-F75 HydrophobicContact CB-CD2 4.4Å; Q70-F75 HydrophobicContact CG-CB 3.79Å; E71-F75 WeakPolarHBondContact O-CB 3.4Å; E71-F75 PolarHBondContact O-N 2.76Å; F75-T77 PolarHBondContact O-N 3.38Å; F75-F78 PolarHBondContact O-N 2.86Å; F75-G79 WeakPolarHBondContact O-CA 3.42Å; F75-G79 PolarHBondContact O-N 2.86Å; F75-V81 HydrophobicContact CE2-CG1 4.21Å |
| 76 | W | 94.7 | Very high | 85.6 | Confident | 95 Ų | 95 | 63.5 Ų | 63.5 | 36% | 0.36 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.3 | -34.1 | 177.8 | -179.7 | 87.2 | 0 | 0 | 0 | 112.8 | N26 L30 S72 F73 F74 | N26-W76 HydrophobicContact CB-CD2 4.09Å; N26-W76 HydrophobicContact CB-CE3 4.18Å; N26-W76 HydrophobicContact CB-CH2 3.72Å; N26-W76 HydrophobicContact CB-CZ2 3.59Å; N26-W76 HydrophobicContact CB-CZ3 4.01Å; N26-W76 WeakPolarHBondContact CB-O 3.34Å; N26-W76 VanDerWaalsContact CG-CE2 3.47Å; N26-W76 PolarHBondContact ND2-NE1 3.08Å; N26-W76 PolarHBondContact ND2-O 2.84Å; N26-W76 WeakPolarHBondContact O-CH2 3.24Å; L30-W76 HydrophobicContact CB-CH2 4.19Å; L30-W76 HydrophobicContact CB-CZ3 4.12Å; L30-W76 HydrophobicContact CD2-CZ3 4.24Å; S72-W76 WeakPolarHBondContact O-CB 3.36Å; S72-W76 PolarHBondContact O-N 2.89Å; F73-W76 PolarHBondContact O-N 3.2Å; F74-W76 PolarHBondContact O-N 3.48Å |
| 77 | T | 96.1 | Very high | 88.1 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.012 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -82.4 | -39.7 | -176.8 | -56.4 | 0 | 0 | 0 | 0 | 112.7 | R27 L47 F73 F74 F75 V89 | R27-T77 WeakPolarHBondContact CD-O 3.48Å; R27-T77 HydrophobicContact CG-CG2 3.72Å; R27-T77 VanDerWaalsContact CG-O 3.26Å; R27-T77 WeakPolarHBondContact CG-O 3.47Å; R27-T77 PolarHBondContact NH1-O 2.8Å; L47-T77 HydrophobicContact CD1-CG2 3.88Å; L47-T77 VanDerWaalsContact CD1-OG1 3.31Å; L47-T77 WeakPolarHBondContact CD1-OG1 3.32Å; F73-T77 VanDerWaalsContact O-CB 3.31Å; F73-T77 WeakPolarHBondContact O-CB 3.34Å; F73-T77 PolarHBondContact O-N 3.44Å; F73-T77 PolarHBondContact O-OG1 3.45Å; F74-T77 PolarHBondContact O-N 3.07Å; F74-T77 VanDerWaalsContact O-N 3.15Å; F75-T77 PolarHBondContact O-N 3.38Å; T77-V89 HydrophobicContact CG2-CG2 4.15Å |
| 78 | F | 95.2 | Very high | 90.1 | Very high | 16 Ų | 16 | 53.5 Ų | 53.5 | 7% | 0.07 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -121.4 | -26.5 | -169.7 | -62.1 | -72.2 | 0 | 0 | 0 | 115.2 | L47 F74 F75 V80 V89 L98 | L47-F78 HydrophobicContact CB-CE2 4.37Å; L47-F78 HydrophobicContact CD1-CE2 4.1Å; F74-F78 AromaticContact CD2-CD2 3.88Å; F74-F78 HydrophobicContact CD2-CD2 3.88Å; F74-F78 HydrophobicContact CD2-CE2 4.16Å; F74-F78 HydrophobicContact CE1-CD2 4.42Å; F74-F78 AromaticContact CE2-CD2 3.68Å; F74-F78 HydrophobicContact CE2-CD2 3.68Å; F74-F78 AromaticContact CE2-CE2 3.9Å; F74-F78 HydrophobicContact CE2-CE2 3.9Å; F74-F78 HydrophobicContact CG-CD2 4.3Å; F74-F78 AromaticContact CZ-CD2 3.96Å; F74-F78 HydrophobicContact CZ-CD2 3.96Å; F74-F78 PolarHBondContact O-N 3.5Å; F75-F78 PolarHBondContact O-N 2.86Å; F78-V80 HydrophobicContact CB-CG2 3.95Å; F78-V80 PolarHBondContact O-N 2.81Å; F78-V89 HydrophobicContact CE1-CG2 3.93Å; F78-V89 HydrophobicContact CZ-CG2 3.7Å; F78-L98 HydrophobicContact CB-CD2 4.08Å; F78-L98 HydrophobicContact CD1-CD2 3.71Å; F78-L98 HydrophobicContact CD1-CG 4.19Å; F78-L98 HydrophobicContact CD2-CD2 4.28Å; F78-L98 HydrophobicContact CE1-CD2 4.18Å; F78-L98 HydrophobicContact CG-CD2 3.77Å |
| 79 | G | 92.1 | Very high | 92.1 | Very high | 21 Ų | 21 | 51.1 Ų | 51.1 | 22% | 0.216 | 26% | 0.264 | C | S | . | . | trans | 72.5 | 13.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | F75 | F75-G79 WeakPolarHBondContact O-CA 3.42Å; F75-G79 PolarHBondContact O-N 2.86Å | ||
| 80 | V | 91.6 | Very high | 93.2 | Very high | 14 Ų | 14 | 46 Ų | 46 | 9% | 0.085 | 23% | 0.234 | C | C | . | . | trans | -76 | 135.4 | 178 | 170.7 | 0 | 0 | 0 | 0 | 109.3 | Q70 F74 F78 E82 F85 L98 | Q70-V80 WeakPolarHBondContact CG-O 3.31Å; Q70-V80 PolarHBondContact NE2-O 2.98Å; F74-V80 HydrophobicContact CD1-CB 4.45Å; F74-V80 HydrophobicContact CE1-CB 3.73Å; F74-V80 HydrophobicContact CE1-CG1 3.96Å; F74-V80 HydrophobicContact CE1-CG2 4.36Å; F78-V80 HydrophobicContact CB-CG2 3.95Å; F78-V80 PolarHBondContact O-N 2.81Å; V80-E82 HydrophobicContact CG1-CB 4.3Å; V80-E82 WeakPolarHBondContact CG1-OE2 2.86Å; V80-F85 HydrophobicContact CG1-CB 3.98Å; V80-F85 HydrophobicContact CG1-CD1 3.99Å; V80-F85 HydrophobicContact CG1-CD2 4.06Å; V80-F85 HydrophobicContact CG1-CG 3.74Å; V80-L98 HydrophobicContact CG2-CD1 3.86Å; V80-L98 HydrophobicContact CG2-CD2 3.94Å | ||
| 81 | V | 88.2 | Confident | 93.7 | Very high | 58 Ų | 58 | 45.6 Ų | 45.6 | 35% | 0.352 | 23% | 0.232 | S | C | . | . | trans | -106.5 | -18.9 | -178.2 | -64.5 | 0 | 0 | 0 | 0 | 112.2 | F75 | F75-V81 HydrophobicContact CE2-CG1 4.21Š| ||
| 82 | E | 88.1 | Confident | 93.9 | Very high | 96 Ų | 96 | 49.4 Ų | 49.4 | 45% | 0.449 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -73.5 | 142.5 | -179.4 | -63 | 78.4 | -177 | 0 | 0 | 111.5 | Q70 V80 F85 | Q70-E82 PolarHBondContact NE2-O 2.83Å; V80-E82 HydrophobicContact CG1-CB 4.3Å; V80-E82 WeakPolarHBondContact CG1-OE2 2.86Å; E82-F85 HydrophobicContact CB-CD2 3.71Å; E82-F85 HydrophobicContact CB-CE2 3.38Å; E82-F85 HydrophobicContact CB-CZ 4.24Å; E82-F85 HydrophobicContact CG-CE2 4.21Å |
| 83 | P | 89.2 | Confident | 94 | Very high | 30 Ų | 30 | 49.8 Ų | 49.8 | 20% | 0.195 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | 165.3 | 179.7 | 33.7 | -36.7 | 0 | 0 | 0 | 111.8 | G50 E52 F85 | G50-P83 WeakPolarHBondContact O-CA 3.45Å; E52-P83 HydrophobicContact CB-CB 4.25Å; E52-P83 HydrophobicContact CB-CG 4.44Å; P83-F85 WeakPolarHBondContact O-CD2 3.4Å; P83-F85 PolarHBondContact O-N 2.87Å; P83-F85 VanDerWaalsContact O-N 3.09Å |
| 84 | E | 89.9 | Confident | 93.9 | Very high | 113 Ų | 113 | 44.4 Ų | 44.4 | 53% | 0.528 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 16.1 | 172.8 | -49.8 | -167.9 | 138.8 | 0 | 0 | 115.5 | G50 P101 | G50-E84 PolarHBondContact O-N 3.38Å; E84-P101 HydrophobicContact CB-CB 4.07Å; E84-P101 HydrophobicContact CB-CG 4.14Å |
| 85 | F | 94.4 | Very high | 93.9 | Very high | 36 Ų | 36 | 50.1 Ų | 50.1 | 16% | 0.158 | 26% | 0.257 | C | S | . | . | trans | -79.6 | 143 | 169.6 | -84.5 | -112 | 0 | 0 | 0 | 110.7 | G49 F74 V80 E82 P83 F99 M100 P101 | G49-F85 VanDerWaalsContact CA-O 3.24Å; G49-F85 WeakPolarHBondContact CA-O 3.42Å; G49-F85 PolarHBondContact N-O 3.3Å; F74-F85 HydrophobicContact CE1-CB 3.94Å; F74-F85 HydrophobicContact CZ-CB 3.72Å; V80-F85 HydrophobicContact CG1-CB 3.98Å; V80-F85 HydrophobicContact CG1-CD1 3.99Å; V80-F85 HydrophobicContact CG1-CD2 4.06Å; V80-F85 HydrophobicContact CG1-CG 3.74Å; E82-F85 HydrophobicContact CB-CD2 3.71Å; E82-F85 HydrophobicContact CB-CE2 3.38Å; E82-F85 HydrophobicContact CB-CZ 4.24Å; E82-F85 HydrophobicContact CG-CE2 4.21Å; P83-F85 WeakPolarHBondContact O-CD2 3.4Å; P83-F85 PolarHBondContact O-N 2.87Å; P83-F85 VanDerWaalsContact O-N 3.09Å; F85-F99 WeakPolarHBondContact CA-O 3.39Å; F85-M100 HydrophobicContact CD1-CB 4.26Å; F85-M100 HydrophobicContact CE1-CB 3.58Å; F85-M100 HydrophobicContact CE2-CB 4.37Å; F85-M100 HydrophobicContact CZ-CB 3.65Å; F85-P101 HydrophobicContact CD2-CG 4.5Å; F85-P101 HydrophobicContact CE2-CG 4.33Å | ||
| 86 | E | 96.9 | Very high | 94.1 | Very high | 82 Ų | 82 | 49.4 Ų | 49.4 | 38% | 0.383 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 159.4 | 165.3 | -54.6 | 170.2 | 175.3 | 0 | 0 | 109.5 | F46 F99 | F46-E86 HydrophobicContact CE2-CB 4.12Å; F46-E86 HydrophobicContact CZ-CB 4.03Å; F46-E86 HydrophobicContact CZ-CG 4.13Å; F46-E86 WeakPolarHBondContact CZ-OE2 3.34Å; E86-F99 HydrophobicContact CB-CB 4.12Å; E86-F99 HydrophobicContact CB-CD2 4.09Å; E86-F99 PolarHBondContact N-O 3.38Å; E86-F99 PolarHBondContact O-N 2.89Å |
| 87 | G | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 140.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F46 L47 Y97 | F46-G87 WeakPolarHBondContact CA-O 3.46Å; L47-G87 PolarHBondContact N-O 2.84Å; L47-G87 PolarHBondContact O-N 3.11Å; G87-Y97 CarbonylContact C-O 3.35Å; G87-Y97 WeakPolarHBondContact CA-O 3.44Å |
| 88 | A | 97.8 | Very high | 94.3 | Very high | 8 Ų | 8 | 53.7 Ų | 53.7 | 7% | 0.066 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 143.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | I44 I45 F46 S96 Y97 F99 | I44-A88 HydrophobicContact CG2-CB 4.05Å; I45-A88 CarbonylContact O-C 3.46Å; I45-A88 WeakPolarHBondContact O-CA 3.34Å; F46-A88 HydrophobicContact CD2-CB 4.46Å; A88-S96 CarbonylContact O-C 3.5Å; A88-S96 WeakPolarHBondContact O-CA 3.28Å; A88-Y97 PolarHBondContact N-O 2.7Å; A88-Y97 PolarHBondContact O-N 3.25Å; A88-F99 HydrophobicContact CB-CE2 3.85Å; A88-F99 HydrophobicContact CB-CZ 4.43Å |
| 89 | V | 97.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.006 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 122.5 | 174 | -171.2 | 0 | 0 | 0 | 0 | 109.4 | R27 I45 T77 F78 V91 | R27-V89 HydrophobicContact CG-CG2 4.26Å; I45-V89 HydrophobicContact CB-CB 4.25Å; I45-V89 HydrophobicContact CD1-CB 4.29Å; I45-V89 PolarHBondContact N-O 2.93Å; I45-V89 PolarHBondContact O-N 3.3Å; T77-V89 HydrophobicContact CG2-CG2 4.15Å; F78-V89 HydrophobicContact CE1-CG2 3.93Å; F78-V89 HydrophobicContact CZ-CG2 3.7Å; V89-V91 PolarHBondContact O-N 3.09Å |
| 90 | C | 96.6 | Very high | 94.5 | Very high | 21 Ų | 21 | 62.7 Ų | 62.7 | 14% | 0.142 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 115.7 | 174.1 | 176.4 | 0 | 0 | 0 | 0 | 109.9 | I44 K92 T93 G94 K95 | I44-C90 HydrophobicContact CD1-CB 3.84Å; C90-K92 VanDerWaalsContact C-N 3.29Å; C90-K92 PolarHBondContact O-N 2.97Å; C90-T93 WeakPolarHBondContact CB-OG1 3.45Å; C90-T93 PolarHBondContact O-N 2.72Å; C90-T93 PolarHBondContact SG-OG1 2.85Å; C90-G94 WeakPolarHBondContact O-CA 3.36Å; C90-G94 PolarHBondContact O-N 3.42Å; C90-K95 PolarHBondContact N-O 3.13Å |
| 91 | V | 95.8 | Very high | 94.5 | Very high | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.012 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -39.2 | -176.1 | 177.5 | 0 | 0 | 0 | 0 | 111.1 | I34 Q35 G43 I45 V89 | I34-V91 HydrophobicContact CB-CG1 4.4Å; I34-V91 HydrophobicContact CG2-CG1 4.03Å; I34-V91 HydrophobicContact CG2-CG2 4.19Å; Q35-V91 HydrophobicContact CG-CG1 3.58Å; Q35-V91 PolarHBondContact NE2-O 3.05Å; G43-V91 VanDerWaalsContact O-CB 3.29Å; G43-V91 WeakPolarHBondContact O-CB 3.4Å; G43-V91 VanDerWaalsContact O-CG2 3.26Å; G43-V91 WeakPolarHBondContact O-CG2 3.4Å; G43-V91 PolarHBondContact O-N 3.04Å; I45-V91 HydrophobicContact CD1-CG2 4.17Å; I45-V91 HydrophobicContact CG1-CG2 3.79Å; V89-V91 PolarHBondContact O-N 3.09Å |
| 92 | K | 93.9 | Very high | 94.8 | Very high | 149 Ų | 149 | 71.7 Ų | 71.7 | 65% | 0.648 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -45.3 | 180 | -169.5 | 171.9 | 179.9 | 176.1 | 0 | 114.3 | S41 C90 | S41-K92 WeakPolarHBondContact O-CA 3.43Å; S41-K92 VanDerWaalsContact O-CB 3.26Å; S41-K92 WeakPolarHBondContact O-CB 3.49Å; S41-K92 PolarHBondContact O-N 3.2Å; C90-K92 VanDerWaalsContact C-N 3.29Å; C90-K92 PolarHBondContact O-N 2.97Å |
| 93 | T | 94.2 | Very high | 95 | Very high | 95 Ų | 95 | 70.5 Ų | 70.5 | 58% | 0.583 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | -17.1 | -169.7 | 60.6 | 0 | 0 | 0 | 0 | 113 | C90 K95 | C90-T93 WeakPolarHBondContact CB-OG1 3.45Å; C90-T93 PolarHBondContact O-N 2.72Å; C90-T93 PolarHBondContact SG-OG1 2.85Å; T93-K95 PolarHBondContact O-N 3.28Å; T93-K95 VanDerWaalsContact OG1-CB 3.29Å; T93-K95 WeakPolarHBondContact OG1-CB 3.26Å; T93-K95 PolarHBondContact OG1-N 3.23Å |
| 94 | G | 94 | Very high | 95.2 | Very high | 33 Ų | 33 | 75.6 Ų | 75.6 | 34% | 0.34 | 37% | 0.365 | S | S | . | . | trans | 70.4 | 4.3 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | C90 S96 | C90-G94 WeakPolarHBondContact O-CA 3.36Å; C90-G94 PolarHBondContact O-N 3.42Å; G94-S96 PolarHBondContact O-N 3.35Å | ||
| 95 | K | 96.2 | Very high | 95.4 | Very high | 121 Ų | 121 | 77.5 Ų | 77.5 | 53% | 0.526 | 38% | 0.38 | S | S | . | . | trans | -70.3 | 126.9 | -179.9 | -173.1 | 169.2 | 174.3 | 179.5 | 0 | 110.3 | C90 T93 Y97 | C90-K95 PolarHBondContact N-O 3.13Å; T93-K95 PolarHBondContact O-N 3.28Å; T93-K95 VanDerWaalsContact OG1-CB 3.29Å; T93-K95 WeakPolarHBondContact OG1-CB 3.26Å; T93-K95 PolarHBondContact OG1-N 3.23Å; K95-Y97 HydrophobicContact CB-CE2 4.23Å; K95-Y97 HydrophobicContact CD-CE1 4.36Å; K95-Y97 HydrophobicContact CD-CE2 4.24Å; K95-Y97 WeakPolarHBondContact CD-OH 3.45Å; K95-Y97 HydrophobicContact CG-CE2 3.88Å | ||
| 96 | S | 96.6 | Very high | 95.4 | Very high | 44 Ų | 44 | 78.9 Ų | 78.9 | 31% | 0.308 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 147.4 | 175.5 | 51 | 0 | 0 | 0 | 0 | 111.8 | R27 A88 G94 | R27-S96 PolarHBondContact NE-OG 2.92Å; A88-S96 CarbonylContact O-C 3.5Å; A88-S96 WeakPolarHBondContact O-CA 3.28Å; G94-S96 PolarHBondContact O-N 3.35Å |
| 97 | Y | 97.4 | Very high | 95.1 | Very high | 101 Ų | 101 | 79 Ų | 79 | 40% | 0.396 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 137.5 | 177.1 | -57.8 | -96.3 | 0 | 0 | 0 | 107.5 | G87 A88 K95 | G87-Y97 CarbonylContact C-O 3.35Å; G87-Y97 WeakPolarHBondContact CA-O 3.44Å; A88-Y97 PolarHBondContact N-O 2.7Å; A88-Y97 PolarHBondContact O-N 3.25Å; K95-Y97 HydrophobicContact CB-CE2 4.23Å; K95-Y97 HydrophobicContact CD-CE1 4.36Å; K95-Y97 HydrophobicContact CD-CE2 4.24Å; K95-Y97 WeakPolarHBondContact CD-OH 3.45Å; K95-Y97 HydrophobicContact CG-CE2 3.88Å |
| 98 | L | 96.8 | Very high | 94.9 | Very high | 86 Ų | 86 | 82 Ų | 82 | 45% | 0.45 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 135.8 | 171.9 | -77.5 | 171 | 0 | 0 | 0 | 107.8 | F74 F78 V80 | F74-L98 HydrophobicContact CZ-CD2 4.19Å; F78-L98 HydrophobicContact CB-CD2 4.08Å; F78-L98 HydrophobicContact CD1-CD2 3.71Å; F78-L98 HydrophobicContact CD1-CG 4.19Å; F78-L98 HydrophobicContact CD2-CD2 4.28Å; F78-L98 HydrophobicContact CE1-CD2 4.18Å; F78-L98 HydrophobicContact CG-CD2 3.77Å; V80-L98 HydrophobicContact CG2-CD1 3.86Å; V80-L98 HydrophobicContact CG2-CD2 3.94Å |
| 99 | F | 97.3 | Very high | 94.8 | Very high | 96 Ų | 96 | 88 Ų | 88 | 42% | 0.421 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 108.3 | 176.9 | -52 | -87.1 | 0 | 0 | 0 | 106.8 | F85 E86 A88 | F85-F99 WeakPolarHBondContact CA-O 3.39Å; E86-F99 HydrophobicContact CB-CB 4.12Å; E86-F99 HydrophobicContact CB-CD2 4.09Å; E86-F99 PolarHBondContact N-O 3.38Å; E86-F99 PolarHBondContact O-N 2.89Å; A88-F99 HydrophobicContact CB-CE2 3.85Å; A88-F99 HydrophobicContact CB-CZ 4.43Å |
| 100 | M | 94.5 | Very high | 94.5 | Very high | 131 Ų | 131 | 98 Ų | 98 | 65% | 0.645 | 48% | 0.483 | S | S | * | . | trans | -80.4 | 148.2 | 176 | 65.6 | -179.1 | -63.8 | 0 | 0 | 110.1 | F85 | F85-M100 HydrophobicContact CD1-CB 4.26Å; F85-M100 HydrophobicContact CE1-CB 3.58Å; F85-M100 HydrophobicContact CE2-CB 4.37Å; F85-M100 HydrophobicContact CZ-CB 3.65Å | ||
| 101 | P | 92.8 | Very high | 94 | Very high | 25 Ų | 25 | 102.5 Ų | 102.5 | 16% | 0.162 | 50% | 0.502 | C | S | . | . | trans | -59.8 | 145.8 | 170 | 27.1 | -34.7 | 0 | 0 | 0 | 109.9 | E84 F85 L103 | E84-P101 HydrophobicContact CB-CB 4.07Å; E84-P101 HydrophobicContact CB-CG 4.14Å; F85-P101 HydrophobicContact CD2-CG 4.5Å; F85-P101 HydrophobicContact CE2-CG 4.33Å; P101-L103 HydrophobicContact CB-CD2 4.35Å; P101-L103 HydrophobicContact CG-CD2 4.13Å; P101-L103 PolarHBondContact O-N 3.04Å | ||
| 102 | R | 93.4 | Very high | 93.7 | Very high | 235 Ų | 235 | 103.9 Ų | 103.9 | 89% | 0.887 | 52% | 0.517 | S | S | * | . | trans | -81.5 | 106 | 173.7 | -176.2 | -179.8 | 178.6 | -163 | -3.8 | 108.5 | ||||
| 103 | L | 92.5 | Very high | 93.2 | Very high | 72 Ų | 72 | 109.7 Ų | 109.7 | 38% | 0.377 | 54% | 0.542 | S | S | . | . | trans | -85.4 | 139.9 | -179.1 | -55 | 173.4 | 0 | 0 | 0 | 111 | P101 Y107 | P101-L103 HydrophobicContact CB-CD2 4.35Å; P101-L103 HydrophobicContact CG-CD2 4.13Å; P101-L103 PolarHBondContact O-N 3.04Å; L103-Y107 HydrophobicContact CB-CD1 4.33Å; L103-Y107 HydrophobicContact CB-CG 4.1Å; L103-Y107 HydrophobicContact CD1-CD1 3.71Å; L103-Y107 HydrophobicContact CD1-CE1 3.63Å; L103-Y107 HydrophobicContact CD1-CG 4.19Å; L103-Y107 HydrophobicContact CD2-CD1 4.49Å; L103-Y107 HydrophobicContact CD2-CD2 3.89Å; L103-Y107 HydrophobicContact CD2-CE1 4.48Å; L103-Y107 HydrophobicContact CD2-CE2 3.88Å; L103-Y107 HydrophobicContact CD2-CG 4.19Å; L103-Y107 HydrophobicContact CG-CD1 4.39Å; L103-Y107 HydrophobicContact CG-CG 4.38Å | ||
| 104 | E | 93.5 | Very high | 93.2 | Very high | 136 Ų | 136 | 110.4 Ų | 110.4 | 64% | 0.636 | 54% | 0.54 | S | S | * | . | trans | -76.1 | 155 | 173.8 | -66.9 | -66.2 | 169.6 | 0 | 0 | 111 | S106 Y107 | E104-S106 PolarHBondContact O-N 2.89Å; E104-Y107 WeakPolarHBondContact O-CB 3.49Å; E104-Y107 PolarHBondContact O-N 3.09Å | ||
| 105 | D | 93.4 | Very high | 93.1 | Very high | 154 Ų | 154 | 114.5 Ų | 114.5 | 82% | 0.824 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | -28.3 | -179.2 | -72 | -18.9 | 0 | 0 | 0 | 112.9 | Y107 A108 | D105-Y107 VanDerWaalsContact C-N 3.26Å; D105-Y107 PolarHBondContact O-N 3.07Å; D105-A108 PolarHBondContact O-N 3.39Å |
| 106 | S | 94.3 | Very high | 93 | Very high | 65 Ų | 65 | 114.1 Ų | 114.1 | 46% | 0.455 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.2 | -23.4 | 175.7 | 55.6 | 0 | 0 | 0 | 0 | 113.5 | E104 A108 I109 W110 | E104-S106 PolarHBondContact O-N 2.89Å; S106-A108 PolarHBondContact O-N 3.1Å; S106-I109 VanDerWaalsContact O-CB 3.32Å; S106-I109 WeakPolarHBondContact O-CB 3.47Å; S106-I109 PolarHBondContact O-N 2.88Å; S106-W110 VanDerWaalsContact O-CD1 3.31Å |
| 107 | Y | 92 | Very high | 92.7 | Very high | 83 Ų | 83 | 118.2 Ų | 118.2 | 33% | 0.325 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -57 | -38.5 | 178.1 | -174 | -89.8 | 0 | 0 | 0 | 111.1 | L103 E104 D105 I109 W110 H111 | L103-Y107 HydrophobicContact CB-CD1 4.33Å; L103-Y107 HydrophobicContact CB-CG 4.1Å; L103-Y107 HydrophobicContact CD1-CD1 3.71Å; L103-Y107 HydrophobicContact CD1-CE1 3.63Å; L103-Y107 HydrophobicContact CD1-CG 4.19Å; L103-Y107 HydrophobicContact CD2-CD1 4.49Å; L103-Y107 HydrophobicContact CD2-CD2 3.89Å; L103-Y107 HydrophobicContact CD2-CE1 4.48Å; L103-Y107 HydrophobicContact CD2-CE2 3.88Å; L103-Y107 HydrophobicContact CD2-CG 4.19Å; L103-Y107 HydrophobicContact CG-CD1 4.39Å; L103-Y107 HydrophobicContact CG-CG 4.38Å; E104-Y107 WeakPolarHBondContact O-CB 3.49Å; E104-Y107 PolarHBondContact O-N 3.09Å; D105-Y107 VanDerWaalsContact C-N 3.26Å; D105-Y107 PolarHBondContact O-N 3.07Å; Y107-I109 PolarHBondContact O-N 3.46Å; Y107-I109 VanDerWaalsContact O-N 3.1Å; Y107-W110 PolarHBondContact O-N 3.27Å; Y107-W110 VanDerWaalsContact O-N 3.09Å; Y107-H111 HydrophobicContact CD1-CB 3.88Å; Y107-H111 HydrophobicContact CD2-CB 4.24Å; Y107-H111 AromaticContact CD2-CD2 3.62Å; Y107-H111 HydrophobicContact CE1-CB 3.39Å; Y107-H111 HydrophobicContact CE2-CB 3.78Å; Y107-H111 AromaticContact CE2-CD2 3.49Å; Y107-H111 VanDerWaalsContact CE2-CD2 3.49Å; Y107-H111 WeakPolarHBondContact CE2-CD2 3.1Å; Y107-H111 AromaticContact CE2-CG 3.57Å; Y107-H111 HydrophobicContact CG-CB 4.29Å; Y107-H111 AromaticContact CZ-CG 3.62Å; Y107-H111 PolarHBondContact O-N 3.01Å |
| 108 | A | 92.7 | Very high | 92.4 | Very high | 63 Ų | 63 | 119.3 Ų | 119.3 | 52% | 0.521 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -60.8 | -22.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114 | D105 S106 G112 | D105-A108 PolarHBondContact O-N 3.39Å; S106-A108 PolarHBondContact O-N 3.1Å; A108-G112 WeakPolarHBondContact CA-O 3.32Å |
| 109 | I | 95.2 | Very high | 92.2 | Very high | 136 Ų | 136 | 121.5 Ų | 121.5 | 70% | 0.697 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -77.8 | -37.4 | 178.4 | -57.3 | 173.4 | 0 | 0 | 0 | 110.9 | S106 Y107 | S106-I109 VanDerWaalsContact O-CB 3.32Å; S106-I109 WeakPolarHBondContact O-CB 3.47Å; S106-I109 PolarHBondContact O-N 2.88Å; Y107-I109 PolarHBondContact O-N 3.46Å; Y107-I109 VanDerWaalsContact O-N 3.1Å |
| 110 | W | 90.9 | Very high | 91.8 | Very high | 210 Ų | 210 | 123.4 Ų | 123.4 | 80% | 0.795 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -99.5 | -41.5 | -170.5 | -61.4 | 102.7 | 0 | 0 | 0 | 113.3 | S106 Y107 | S106-W110 VanDerWaalsContact O-CD1 3.31Å; Y107-W110 PolarHBondContact O-N 3.27Å; Y107-W110 VanDerWaalsContact O-N 3.09Å |
| 111 | H | 86.9 | Confident | 91.6 | Very high | 116 Ų | 116 | 122.8 Ų | 122.8 | 54% | 0.537 | 59% | 0.593 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -110.9 | -12.4 | -172.5 | -63.5 | -90.2 | 0 | 0 | 0 | 113.4 | Y107 | Y107-H111 HydrophobicContact CD1-CB 3.88Å; Y107-H111 HydrophobicContact CD2-CB 4.24Å; Y107-H111 AromaticContact CD2-CD2 3.62Å; Y107-H111 HydrophobicContact CE1-CB 3.39Å; Y107-H111 HydrophobicContact CE2-CB 3.78Å; Y107-H111 AromaticContact CE2-CD2 3.49Å; Y107-H111 VanDerWaalsContact CE2-CD2 3.49Å; Y107-H111 WeakPolarHBondContact CE2-CD2 3.1Å; Y107-H111 AromaticContact CE2-CG 3.57Å; Y107-H111 HydrophobicContact CG-CB 4.29Å; Y107-H111 AromaticContact CZ-CG 3.62Å; Y107-H111 PolarHBondContact O-N 3.01Å |
| 112 | G | 88.6 | Confident | 91.5 | Very high | 31 Ų | 31 | 130.9 Ų | 130.9 | 32% | 0.32 | 63% | 0.629 | S | S | . | * | trans | 94.2 | -170.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | A108 | A108-G112 WeakPolarHBondContact CA-O 3.32Š| ||
| 113 | K | 84.6 | Confident | 91.3 | Very high | 270 Ų | 270 | 121.5 Ų | 121.5 | 100% | 1.174 | 61% | 0.605 | S | S | * | * | trans | -84.2 | 0 | -175.3 | 180 | 179.1 | 176 | -176.7 | 0 | 112.1 |
Retrieved 113 of 113 residues in 65.9 ms
(Link to these results)