| 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 | 59.3 | Low | 87 | Confident | 233 Ų | 233 | 123.5 Ų | 123.5 | 100% | 1.148 | 66% | 0.663 | S | S | * | * | 0 | 147.9 | 0 | -64.1 | 166.8 | -179.4 | 0 | 0 | 108.9 | |||||
| 2 | S | 75.9 | Confident | 87.9 | Confident | 106 Ų | 106 | 114.8 Ų | 114.8 | 74% | 0.741 | 62% | 0.618 | S | S | * | * | trans | -75.6 | 122.1 | 174.5 | 46.2 | 0 | 0 | 0 | 0 | 110.5 | C4 | S2-C4 PolarHBondContact O-N 3.41Š| ||
| 3 | I | 80.4 | Confident | 88.6 | Confident | 156 Ų | 156 | 113.3 Ų | 113.3 | 80% | 0.8 | 62% | 0.616 | S | S | * | * | trans | -71.1 | 101.5 | 176.4 | -59.3 | 171.7 | 0 | 0 | 0 | 108.5 | R5 | I3-R5 PolarHBondContact O-N 3.11Š| ||
| 4 | C | 81.8 | Confident | 89.2 | Confident | 117 Ų | 117 | 105.4 Ų | 105.4 | 79% | 0.791 | 57% | 0.574 | S | S | * | * | trans | -64.6 | 98.9 | 177.2 | -64.2 | 0 | 0 | 0 | 0 | 110.3 | S2 | S2-C4 PolarHBondContact O-N 3.41Š| ||
| 5 | R | 87 | Confident | 89.8 | Confident | 218 Ų | 218 | 99.4 Ų | 99.4 | 82% | 0.823 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -76.2 | 133 | 175.1 | -63.3 | 179.6 | -180 | 178.9 | 0.2 | 109.1 | I3 Q7 | I3-R5 PolarHBondContact O-N 3.11Å; R5-Q7 PolarHBondContact O-N 3.12Å; R5-Q7 VanDerWaalsContact O-N 3.15Å |
| 6 | T | 90.7 | Very high | 90.3 | Very high | 59 Ų | 59 | 99.3 Ų | 99.3 | 36% | 0.362 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -55 | 119 | 175.8 | -47.4 | 0 | 0 | 0 | 0 | 110.3 | V50 | T6-V50 HydrophobicContact CG2-CG2 4.15Š|
| 7 | Q | 93.4 | Very high | 90.8 | Very high | 155 Ų | 155 | 95.9 Ų | 95.9 | 72% | 0.724 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 146.7 | 179 | -74.9 | -70.7 | 17.4 | 0 | 0 | 111.8 | R5 | R5-Q7 PolarHBondContact O-N 3.12Å; R5-Q7 VanDerWaalsContact O-N 3.15Å |
| 8 | R | 96.6 | Very high | 91.1 | Very high | 103 Ų | 103 | 101.1 Ų | 101.1 | 39% | 0.389 | 55% | 0.547 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 141.4 | 169.6 | -74.2 | 179.7 | 162.7 | -102.9 | -3.4 | 109.3 | G10 G14 S41 R45 C47 V50 | R8-G10 PolarHBondContact O-N 3.08Å; R8-G14 PolarHBondContact NH1-O 3Å; R8-S41 PolarHBondContact NH2-OG 3.01Å; R8-R45 VanDerWaalsContact CZ-O 3.29Å; R8-R45 PolarHBondContact NH1-O 2.77Å; R8-R45 PolarHBondContact NH2-O 3.31Å; R8-C47 HydrophobicContact CB-CB 4.39Å; R8-C47 HydrophobicContact CG-CB 3.94Å; R8-V50 HydrophobicContact CG-CG2 4.13Å |
| 9 | C | 97.3 | Very high | 91.5 | Very high | 41 Ų | 41 | 97.9 Ų | 97.9 | 28% | 0.277 | 54% | 0.536 | S | S | . | . | trans | -74.4 | -4.5 | -178.6 | 65.4 | 0 | 0 | 0 | 0 | 115.4 | V11 C12 C47 R49 | C9-V11 PolarHBondContact O-N 3.47Å; C9-C12 PolarHBondContact SG-SG 3.24Å; C9-C47 PolarHBondContact N-SG 2.99Å; C9-C47 VanDerWaalsContact N-SG 3.39Å; C9-R49 HydrophobicContact CB-CB 4.26Å | ||
| 10 | G | 97 | Very high | 91.8 | Very high | 48 Ų | 48 | 95.4 Ų | 95.4 | 50% | 0.495 | 53% | 0.525 | S | S | . | . | S | Bend | trans | 71 | -45.5 | -176 | 0 | 0 | 0 | 0 | 0 | 115.5 | R8 C15 | R8-G10 PolarHBondContact O-N 3.08Å; G10-C15 VanDerWaalsContact C-CB 3.47Å; G10-C15 WeakPolarHBondContact O-CB 3.2Å |
| 11 | V | 98 | Very high | 92 | Very high | 123 Ų | 123 | 91.9 Ų | 91.9 | 75% | 0.745 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -92.3 | -25.6 | -163.3 | -59.5 | 0 | 0 | 0 | 0 | 116.1 | C9 | C9-V11 PolarHBondContact O-N 3.47Š|
| 12 | C | 97.8 | Very high | 93.9 | Very high | 18 Ų | 18 | 86 Ų | 86 | 12% | 0.122 | 49% | 0.489 | C | S | . | . | S | Bend | trans | -67.3 | 159.2 | -176.1 | 76.4 | 0 | 0 | 0 | 0 | 112.4 | C9 G14 C15 T16 I48 | C9-C12 PolarHBondContact SG-SG 3.24Å; C12-G14 PolarHBondContact O-N 3.41Å; C12-G14 VanDerWaalsContact O-N 3.09Å; C12-C15 WeakPolarHBondContact O-CA 3.46Å; C12-C15 WeakPolarHBondContact O-CB 3.29Å; C12-C15 PolarHBondContact O-N 3.29Å; C12-T16 PolarHBondContact O-N 3.42Å; C12-T16 VanDerWaalsContact O-N 3.12Å; C12-T16 PolarHBondContact O-OG1 3.24Å; C12-I48 HydrophobicContact CB-CB 4.39Å; C12-I48 HydrophobicContact CB-CD1 3.96Å; C12-I48 HydrophobicContact CB-CG1 4.06Å |
| 13 | T | 96.9 | Very high | 94.9 | Very high | 96 Ų | 96 | 81.8 Ų | 81.8 | 59% | 0.589 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -49.4 | -38.5 | 179 | 53.8 | 0 | 0 | 0 | 0 | 113.5 | C15 T16 S17 | T13-C15 VanDerWaalsContact C-N 3.33Å; T13-C15 PolarHBondContact O-N 3.5Å; T13-T16 PolarHBondContact O-OG1 3.43Å; T13-S17 WeakPolarHBondContact O-CB 3.32Å; T13-S17 PolarHBondContact O-N 2.77Å; T13-S17 PolarHBondContact O-OG 3.3Å |
| 14 | G | 97.2 | Very high | 95.6 | Very high | 3 Ų | 3 | 78.6 Ų | 78.6 | 3% | 0.031 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -80 | -2.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | R8 C12 T44 R45 R46 | R8-G14 PolarHBondContact NH1-O 3Å; C12-G14 PolarHBondContact O-N 3.41Å; C12-G14 VanDerWaalsContact O-N 3.09Å; G14-T44 WeakPolarHBondContact CA-O 3.05Å; G14-R45 CarbonylContact O-C 3.51Å; G14-R45 WeakPolarHBondContact O-CA 3.49Å; G14-R45 VanDerWaalsContact O-O 3.05Å; G14-R46 WeakPolarHBondContact CA-O 3.49Å |
| 15 | C | 98.2 | Very high | 96.3 | Very high | 15 Ų | 15 | 75.4 Ų | 75.4 | 10% | 0.101 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -94 | -47.8 | 165.6 | -71.3 | 0 | 0 | 0 | 0 | 110.6 | G10 C12 T13 R45 | G10-C15 VanDerWaalsContact C-CB 3.47Å; G10-C15 WeakPolarHBondContact O-CB 3.2Å; C12-C15 WeakPolarHBondContact O-CA 3.46Å; C12-C15 WeakPolarHBondContact O-CB 3.29Å; C12-C15 PolarHBondContact O-N 3.29Å; T13-C15 VanDerWaalsContact C-N 3.33Å; T13-C15 PolarHBondContact O-N 3.5Å; C15-R45 PolarHBondContact O-NH2 3.24Å |
| 16 | T | 97.8 | Very high | 96.9 | Very high | 97 Ų | 97 | 65.1 Ų | 65.1 | 60% | 0.595 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -71.8 | -28.5 | -178.4 | 56 | 0 | 0 | 0 | 0 | 113.4 | C12 T13 K18 | C12-T16 PolarHBondContact O-N 3.42Å; C12-T16 VanDerWaalsContact O-N 3.12Å; C12-T16 PolarHBondContact O-OG1 3.24Å; T13-T16 PolarHBondContact O-OG1 3.43Å; T16-K18 PolarHBondContact O-N 3.15Å |
| 17 | S | 97.5 | Very high | 97.2 | Very high | 43 Ų | 43 | 69.1 Ų | 69.1 | 30% | 0.301 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -53.9 | 137.3 | 175.9 | -74.9 | 0 | 0 | 0 | 0 | 113.1 | T13 R45 | T13-S17 WeakPolarHBondContact O-CB 3.32Å; T13-S17 PolarHBondContact O-N 2.77Å; T13-S17 PolarHBondContact O-OG 3.3Å; S17-R45 WeakPolarHBondContact O-CD 3.41Å; S17-R45 WeakPolarHBondContact O-CG 3.25Å; S17-R45 PolarHBondContact O-NE 3.5Å |
| 18 | K | 97.5 | Very high | 97.4 | Very high | 188 Ų | 188 | 62 Ų | 62 | 82% | 0.817 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 161.6 | 165.7 | -64.8 | -179.4 | -179.7 | 178 | 0 | 110.6 | T16 T44 | T16-K18 PolarHBondContact O-N 3.15Å; K18-T44 PolarHBondContact O-OG1 3.48Å |
| 19 | A | 97.4 | Very high | 97.5 | Very high | 41 Ų | 41 | 59.2 Ų | 59.2 | 34% | 0.339 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -76.4 | 132.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | G21 F32 | A19-G21 VanDerWaalsContact C-N 3.31Å; A19-G21 PolarHBondContact O-N 3.41Å; A19-F32 HydrophobicContact CB-CE2 4.15Å; A19-F32 HydrophobicContact CB-CZ 3.88Å |
| 20 | C | 97.7 | Very high | 97.5 | Very high | 47 Ų | 47 | 61.4 Ų | 61.4 | 32% | 0.318 | 37% | 0.366 | S | S | . | . | trans | -78.7 | -6.6 | -169.4 | 70.6 | 0 | 0 | 0 | 0 | 115.4 | T22 C42 T44 | C20-T22 PolarHBondContact O-N 3.1Å; C20-T22 PolarHBondContact O-OG1 3.09Å; C20-C42 PolarHBondContact SG-SG 2.94Å; C20-T44 HydrophobicContact CB-CG2 4.11Å | ||
| 21 | G | 97.3 | Very high | 97.5 | Very high | 23 Ų | 23 | 66.9 Ų | 66.9 | 24% | 0.237 | 38% | 0.379 | C | S | . | . | S | Bend | trans | 67.1 | -40.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | A19 C26 | A19-G21 VanDerWaalsContact C-N 3.31Å; A19-G21 PolarHBondContact O-N 3.41Å; G21-C26 PolarHBondContact N-SG 3.48Å; G21-C26 WeakPolarHBondContact O-CB 3.4Å |
| 22 | T | 97.7 | Very high | 97.4 | Very high | 108 Ų | 108 | 65.5 Ų | 65.5 | 66% | 0.663 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -83.7 | -28.1 | -165.9 | 56.1 | 0 | 0 | 0 | 0 | 115.4 | C20 K27 | C20-T22 PolarHBondContact O-N 3.1Å; C20-T22 PolarHBondContact O-OG1 3.09Å; T22-K27 WeakPolarHBondContact O-CE 3.49Å |
| 23 | C | 96.9 | Very high | 97.4 | Very high | 18 Ų | 18 | 68.2 Ų | 68.2 | 12% | 0.122 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -72.1 | 160 | -173.5 | 80.9 | 0 | 0 | 0 | 0 | 113.4 | Y25 C26 K27 V43 | C23-Y25 PolarHBondContact O-N 2.9Å; C23-C26 WeakPolarHBondContact O-CA 3.31Å; C23-C26 WeakPolarHBondContact O-CB 3.49Å; C23-C26 PolarHBondContact O-N 3.07Å; C23-C26 PolarHBondContact SG-N 3.39Å; C23-C26 VanDerWaalsContact SG-N 3.41Å; C23-K27 PolarHBondContact O-N 3.5Å; C23-V43 HydrophobicContact CB-CG1 4.26Å; C23-V43 HydrophobicContact CB-CG2 3.62Å |
| 24 | T | 96.1 | Very high | 97.4 | Very high | 89 Ų | 89 | 64.1 Ų | 64.1 | 55% | 0.546 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -13.5 | -176.8 | 53.6 | 0 | 0 | 0 | 0 | 115.6 | ||
| 25 | Y | 97 | Very high | 97.5 | Very high | 50 Ų | 50 | 69 Ų | 69 | 20% | 0.196 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -22.7 | 172.2 | -53.6 | -42.8 | 0 | 0 | 0 | 113.1 | C23 N29 K38 Q40 S41 V43 | C23-Y25 PolarHBondContact O-N 2.9Å; Y25-N29 PolarHBondContact O-N 3.14Å; Y25-K38 HydrophobicContact CD1-CD 4.34Å; Y25-K38 HydrophobicContact CE1-CD 4.49Å; Y25-Q40 HydrophobicContact CD1-CB 3.62Å; Y25-Q40 HydrophobicContact CD1-CG 3.96Å; Y25-Q40 HydrophobicContact CD2-CB 3.95Å; Y25-Q40 HydrophobicContact CE1-CB 3.94Å; Y25-Q40 HydrophobicContact CE1-CG 3.81Å; Y25-Q40 HydrophobicContact CE2-CB 4.26Å; Y25-Q40 HydrophobicContact CG-CB 3.64Å; Y25-Q40 HydrophobicContact CG-CG 4.43Å; Y25-S41 WeakPolarHBondContact CD2-O 3.32Å; Y25-V43 HydrophobicContact CD2-CG1 3.56Å; Y25-V43 HydrophobicContact CE2-CG1 3.75Å |
| 26 | C | 98.2 | Very high | 97.4 | Very high | 3 Ų | 3 | 68.9 Ų | 68.9 | 2% | 0.02 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -48.1 | 166 | -73.3 | 0 | 0 | 0 | 0 | 109.9 | G21 C23 D28 N29 F32 C42 | G21-C26 PolarHBondContact N-SG 3.48Å; G21-C26 WeakPolarHBondContact O-CB 3.4Å; C23-C26 WeakPolarHBondContact O-CA 3.31Å; C23-C26 WeakPolarHBondContact O-CB 3.49Å; C23-C26 PolarHBondContact O-N 3.07Å; C23-C26 PolarHBondContact SG-N 3.39Å; C23-C26 VanDerWaalsContact SG-N 3.41Å; C26-D28 PolarHBondContact O-N 3.37Å; C26-N29 WeakPolarHBondContact O-CB 3.37Å; C26-N29 PolarHBondContact O-N 3.36Å; C26-F32 HydrophobicContact CB-CD2 4.2Å; C26-F32 HydrophobicContact CB-CE2 4.35Å; C26-F32 WeakPolarHBondContact O-CB 3.17Å; C26-C42 VanDerWaalsContact SG-CB 3.59Å; C26-C42 PolarHBondContact SG-SG 3.06Å |
| 27 | K | 98.1 | Very high | 97.4 | Very high | 143 Ų | 143 | 69.5 Ų | 69.5 | 62% | 0.622 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -6.5 | 173.1 | -64.1 | -172.9 | 174 | -171 | 0 | 114.6 | T22 C23 G34 | T22-K27 WeakPolarHBondContact O-CE 3.49Å; C23-K27 PolarHBondContact O-N 3.5Å; K27-G34 WeakPolarHBondContact O-CA 2.99Å |
| 28 | D | 97.9 | Very high | 97.3 | Very high | 4 Ų | 4 | 72.7 Ų | 72.7 | 2% | 0.021 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -23 | 172.4 | -172.6 | 87.7 | 0 | 0 | 0 | 112.5 | C26 G34 G36 V37 K38 K39 | C26-D28 PolarHBondContact O-N 3.37Å; D28-G34 CarbonylContact O-C 3.52Å; D28-G34 VanDerWaalsContact O-C 3.3Å; D28-G36 WeakPolarHBondContact O-CA 3.31Å; D28-G36 PolarHBondContact O-N 3.38Å; D28-V37 PolarHBondContact OD2-N 2.82Å; D28-K38 HydrophobicContact CB-CB 4.5Å; D28-K38 HydrophobicContact CB-CD 4.12Å; D28-K38 VanDerWaalsContact OD1-CD 3.31Å; D28-K38 WeakPolarHBondContact OD1-CD 3.12Å; D28-K38 VanDerWaalsContact OD1-CG 3.29Å; D28-K38 WeakPolarHBondContact OD1-CG 3.49Å; D28-K38 PolarHBondContact OD1-N 3.13Å; D28-K38 IonicContact OD1-NZ 3.36Å; D28-K38 WeakPolarHBondContact OD2-CA 3.39Å; D28-K38 WeakPolarHBondContact OD2-CB 3.45Å; D28-K38 PolarHBondContact OD2-N 3.01Å; D28-K39 PolarHBondContact OD2-N 2.91Å; D28-K39 VanDerWaalsContact OD2-N 3.16Å |
| 29 | N | 97.2 | Very high | 97.2 | Very high | 46 Ų | 46 | 72.1 Ų | 72.1 | 25% | 0.246 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -76.2 | 129.4 | -178 | 174.3 | 8.9 | 0 | 0 | 0 | 110.6 | Y25 C26 Q31 F32 G34 | Y25-N29 PolarHBondContact O-N 3.14Å; C26-N29 WeakPolarHBondContact O-CB 3.37Å; C26-N29 PolarHBondContact O-N 3.36Å; N29-Q31 PolarHBondContact ND2-OE1 3.05Å; N29-Q31 PolarHBondContact O-N 3.3Å; N29-Q31 VanDerWaalsContact O-N 3.07Å; N29-Q31 PolarHBondContact OD1-N 3.36Å; N29-Q31 VanDerWaalsContact OD1-N 3.13Å; N29-F32 HydrophobicContact CB-CD2 4.16Å; N29-F32 PolarHBondContact O-N 3.33Å; N29-G34 PolarHBondContact O-N 3.23Å; N29-G34 VanDerWaalsContact O-N 3.1Å |
| 30 | P | 97.4 | Very high | 97.1 | Very high | 87 Ų | 87 | 75.4 Ų | 75.4 | 57% | 0.565 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -53.4 | -27.8 | 176.8 | -29.9 | 37 | 0 | 0 | 0 | 115.2 | F32 G33 G34 | P30-F32 PolarHBondContact O-N 2.72Å; P30-F32 VanDerWaalsContact O-N 3.09Å; P30-G33 PolarHBondContact O-N 3.39Å; P30-G34 VanDerWaalsContact CA-O 3.29Å; P30-G34 WeakPolarHBondContact CA-O 3.08Å |
| 31 | Q | 96.9 | Very high | 97 | Very high | 163 Ų | 163 | 75.8 Ų | 75.8 | 76% | 0.762 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -62.3 | -14.2 | 174 | -62.9 | 176.2 | -37.1 | 0 | 0 | 114.2 | N29 | N29-Q31 PolarHBondContact ND2-OE1 3.05Å; N29-Q31 PolarHBondContact O-N 3.3Å; N29-Q31 VanDerWaalsContact O-N 3.07Å; N29-Q31 PolarHBondContact OD1-N 3.36Å; N29-Q31 VanDerWaalsContact OD1-N 3.13Å |
| 32 | F | 97.4 | Very high | 97 | Very high | 94 Ų | 94 | 75.2 Ų | 75.2 | 41% | 0.412 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -120.7 | 24.5 | 174 | -58.3 | -85 | 0 | 0 | 0 | 111.6 | A19 C26 N29 P30 G34 | A19-F32 HydrophobicContact CB-CE2 4.15Å; A19-F32 HydrophobicContact CB-CZ 3.88Å; C26-F32 HydrophobicContact CB-CD2 4.2Å; C26-F32 HydrophobicContact CB-CE2 4.35Å; C26-F32 WeakPolarHBondContact O-CB 3.17Å; N29-F32 HydrophobicContact CB-CD2 4.16Å; N29-F32 PolarHBondContact O-N 3.33Å; P30-F32 PolarHBondContact O-N 2.72Å; P30-F32 VanDerWaalsContact O-N 3.09Å; F32-G34 VanDerWaalsContact C-N 3.3Å; F32-G34 PolarHBondContact O-N 2.9Å |
| 33 | G | 97.2 | Very high | 96.8 | Very high | 75 Ų | 75 | 71.9 Ų | 71.9 | 77% | 0.773 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | 11.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | P30 | P30-G33 PolarHBondContact O-N 3.39Š|
| 34 | G | 97.4 | Very high | 96.8 | Very high | 9 Ų | 9 | 74 Ų | 74 | 9% | 0.093 | 41% | 0.408 | C | S | . | . | trans | -79.8 | 154.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114 | K27 D28 N29 P30 F32 G36 | K27-G34 WeakPolarHBondContact O-CA 2.99Å; D28-G34 CarbonylContact O-C 3.52Å; D28-G34 VanDerWaalsContact O-C 3.3Å; N29-G34 PolarHBondContact O-N 3.23Å; N29-G34 VanDerWaalsContact O-N 3.1Å; P30-G34 VanDerWaalsContact CA-O 3.29Å; P30-G34 WeakPolarHBondContact CA-O 3.08Å; F32-G34 VanDerWaalsContact C-N 3.3Å; F32-G34 PolarHBondContact O-N 2.9Å; G34-G36 PolarHBondContact O-N 3.16Å; G34-G36 VanDerWaalsContact O-N 3.15Å | ||
| 35 | P | 97.8 | Very high | 96.8 | Very high | 105 Ų | 105 | 74.4 Ų | 74.4 | 68% | 0.682 | 40% | 0.4 | S | S | * | . | trans | -75.7 | 1.8 | -173.5 | 32.3 | -38.7 | 0 | 0 | 0 | 115.2 | V37 | P35-V37 VanDerWaalsContact C-N 3.31Å; P35-V37 HydrophobicContact CB-CG2 4.08Å; P35-V37 HydrophobicContact CG-CG2 4.19Å; P35-V37 PolarHBondContact O-N 3.2Å | ||
| 36 | G | 97 | Very high | 96.8 | Very high | 14 Ų | 14 | 73.9 Ų | 73.9 | 14% | 0.144 | 40% | 0.397 | C | S | . | . | trans | 68.8 | 19.6 | 174 | 0 | 0 | 0 | 0 | 0 | 115.9 | D28 G34 K39 | D28-G36 WeakPolarHBondContact O-CA 3.31Å; D28-G36 PolarHBondContact O-N 3.38Å; G34-G36 PolarHBondContact O-N 3.16Å; G34-G36 VanDerWaalsContact O-N 3.15Å; G36-K39 WeakPolarHBondContact O-CE 3.33Å; G36-K39 WeakPolarHBondContact O-CG 3.29Å | ||
| 37 | V | 98.1 | Very high | 96.8 | Very high | 110 Ų | 110 | 73.9 Ų | 73.9 | 67% | 0.667 | 40% | 0.398 | S | S | * | . | trans | -81.6 | -44.9 | -169.4 | 178.2 | 0 | 0 | 0 | 0 | 112.7 | D28 P35 | D28-V37 PolarHBondContact OD2-N 2.82Å; P35-V37 VanDerWaalsContact C-N 3.31Å; P35-V37 HydrophobicContact CB-CG2 4.08Å; P35-V37 HydrophobicContact CG-CG2 4.19Å; P35-V37 PolarHBondContact O-N 3.2Å | ||
| 38 | K | 95.9 | Very high | 96.7 | Very high | 109 Ų | 109 | 69.8 Ų | 69.8 | 47% | 0.474 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -79.8 | -26.2 | -174.4 | -57.8 | 159.6 | -163.4 | 138.5 | 0 | 112.1 | Y25 D28 Q40 | Y25-K38 HydrophobicContact CD1-CD 4.34Å; Y25-K38 HydrophobicContact CE1-CD 4.49Å; D28-K38 HydrophobicContact CB-CB 4.5Å; D28-K38 HydrophobicContact CB-CD 4.12Å; D28-K38 VanDerWaalsContact OD1-CD 3.31Å; D28-K38 WeakPolarHBondContact OD1-CD 3.12Å; D28-K38 VanDerWaalsContact OD1-CG 3.29Å; D28-K38 WeakPolarHBondContact OD1-CG 3.49Å; D28-K38 PolarHBondContact OD1-N 3.13Å; D28-K38 IonicContact OD1-NZ 3.36Å; D28-K38 WeakPolarHBondContact OD2-CA 3.39Å; D28-K38 WeakPolarHBondContact OD2-CB 3.45Å; D28-K38 PolarHBondContact OD2-N 3.01Å; K38-Q40 HydrophobicContact CB-CG 4.35Å; K38-Q40 WeakPolarHBondContact O-CG 3.49Å; K38-Q40 PolarHBondContact O-N 2.93Å; K38-Q40 VanDerWaalsContact O-N 3.12Å; K38-Q40 PolarHBondContact O-NE2 3.41Å |
| 39 | K | 95.6 | Very high | 96.6 | Very high | 176 Ų | 176 | 76 Ų | 76 | 77% | 0.765 | 41% | 0.405 | S | S | * | . | trans | 53.5 | 34.2 | 174.1 | -56.8 | -177.4 | -177.4 | 179 | 0 | 113.7 | D28 G36 | D28-K39 PolarHBondContact OD2-N 2.91Å; D28-K39 VanDerWaalsContact OD2-N 3.16Å; G36-K39 WeakPolarHBondContact O-CE 3.33Å; G36-K39 WeakPolarHBondContact O-CG 3.29Å | ||
| 40 | Q | 94.5 | Very high | 96.6 | Very high | 111 Ų | 111 | 76.2 Ų | 76.2 | 52% | 0.519 | 41% | 0.408 | S | S | . | . | trans | -99.5 | 149.4 | 178.7 | -60.4 | -51.7 | -64.4 | 0 | 0 | 111.5 | Y25 K38 | Y25-Q40 HydrophobicContact CD1-CB 3.62Å; Y25-Q40 HydrophobicContact CD1-CG 3.96Å; Y25-Q40 HydrophobicContact CD2-CB 3.95Å; Y25-Q40 HydrophobicContact CE1-CB 3.94Å; Y25-Q40 HydrophobicContact CE1-CG 3.81Å; Y25-Q40 HydrophobicContact CE2-CB 4.26Å; Y25-Q40 HydrophobicContact CG-CB 3.64Å; Y25-Q40 HydrophobicContact CG-CG 4.43Å; K38-Q40 HydrophobicContact CB-CG 4.35Å; K38-Q40 WeakPolarHBondContact O-CG 3.49Å; K38-Q40 PolarHBondContact O-N 2.93Å; K38-Q40 VanDerWaalsContact O-N 3.12Å; K38-Q40 PolarHBondContact O-NE2 3.41Å | ||
| 41 | S | 94.9 | Very high | 96.5 | Very high | 55 Ų | 55 | 72.8 Ų | 72.8 | 39% | 0.385 | 39% | 0.385 | S | S | . | . | trans | -72.2 | 147.6 | 169.2 | 61.4 | 0 | 0 | 0 | 0 | 111.8 | R8 Y25 | R8-S41 PolarHBondContact NH2-OG 3.01Å; Y25-S41 WeakPolarHBondContact CD2-O 3.32Å | ||
| 42 | C | 97.1 | Very high | 96.5 | Very high | 10 Ų | 10 | 68 Ų | 68 | 7% | 0.068 | 36% | 0.362 | C | S | . | . | trans | -39.4 | 138.3 | 170.5 | 178.3 | 0 | 0 | 0 | 0 | 113.2 | C20 C26 T44 R45 | C20-C42 PolarHBondContact SG-SG 2.94Å; C26-C42 VanDerWaalsContact SG-CB 3.59Å; C26-C42 PolarHBondContact SG-SG 3.06Å; C42-T44 VanDerWaalsContact C-N 3.26Å; C42-T44 PolarHBondContact O-N 2.95Å; C42-T44 PolarHBondContact SG-OG1 3.41Å; C42-R45 HydrophobicContact CB-CB 4.05Å; C42-R45 HydrophobicContact CB-CG 3.91Å; C42-R45 CarbonylContact O-C 3.59Å; C42-R45 WeakPolarHBondContact O-CA 3.4Å; C42-R45 PolarHBondContact O-N 3.31Å | ||
| 43 | V | 95.3 | Very high | 96.3 | Very high | 38 Ų | 38 | 64.9 Ų | 64.9 | 23% | 0.23 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -61.1 | -31.3 | -177 | -59.2 | 0 | 0 | 0 | 0 | 113.5 | C23 Y25 R45 R46 | C23-V43 HydrophobicContact CB-CG1 4.26Å; C23-V43 HydrophobicContact CB-CG2 3.62Å; Y25-V43 HydrophobicContact CD2-CG1 3.56Å; Y25-V43 HydrophobicContact CE2-CG1 3.75Å; V43-R45 VanDerWaalsContact C-N 3.34Å; V43-R46 WeakPolarHBondContact O-CD 3.46Å; V43-R46 WeakPolarHBondContact O-CG 3.34Å |
| 44 | T | 95.7 | Very high | 96.2 | Very high | 62 Ų | 62 | 65.3 Ų | 65.3 | 38% | 0.38 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -75.8 | -22.5 | 173.9 | 63.4 | 0 | 0 | 0 | 0 | 112.5 | G14 K18 C20 C42 R46 | G14-T44 WeakPolarHBondContact CA-O 3.05Å; K18-T44 PolarHBondContact O-OG1 3.48Å; C20-T44 HydrophobicContact CB-CG2 4.11Å; C42-T44 VanDerWaalsContact C-N 3.26Å; C42-T44 PolarHBondContact O-N 2.95Å; C42-T44 PolarHBondContact SG-OG1 3.41Å; T44-R46 PolarHBondContact O-N 3.37Å |
| 45 | R | 97.2 | Very high | 96 | Very high | 98 Ų | 98 | 64.9 Ų | 64.9 | 37% | 0.37 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -97.4 | 32.2 | -178.1 | -55.8 | -166.4 | 77.9 | -157.6 | 0.1 | 112.9 | R8 G14 C15 S17 C42 V43 | R8-R45 VanDerWaalsContact CZ-O 3.29Å; R8-R45 PolarHBondContact NH1-O 2.77Å; R8-R45 PolarHBondContact NH2-O 3.31Å; G14-R45 CarbonylContact O-C 3.51Å; G14-R45 WeakPolarHBondContact O-CA 3.49Å; G14-R45 VanDerWaalsContact O-O 3.05Å; C15-R45 PolarHBondContact O-NH2 3.24Å; S17-R45 WeakPolarHBondContact O-CD 3.41Å; S17-R45 WeakPolarHBondContact O-CG 3.25Å; S17-R45 PolarHBondContact O-NE 3.5Å; C42-R45 HydrophobicContact CB-CB 4.05Å; C42-R45 HydrophobicContact CB-CG 3.91Å; C42-R45 CarbonylContact O-C 3.59Å; C42-R45 WeakPolarHBondContact O-CA 3.4Å; C42-R45 PolarHBondContact O-N 3.31Å; V43-R45 VanDerWaalsContact C-N 3.34Å |
| 46 | R | 96.1 | Very high | 95.8 | Very high | 39 Ų | 39 | 64.1 Ų | 64.1 | 15% | 0.147 | 32% | 0.315 | C | S | . | . | trans | -81.9 | 115.2 | 176.3 | -75.7 | 173.9 | 165.1 | 158.2 | -16.8 | 109.4 | G14 V43 T44 V81 L86 | G14-R46 WeakPolarHBondContact CA-O 3.49Å; V43-R46 WeakPolarHBondContact O-CD 3.46Å; V43-R46 WeakPolarHBondContact O-CG 3.34Å; T44-R46 PolarHBondContact O-N 3.37Å; R46-V81 PolarHBondContact NH2-O 3.34Å; R46-L86 VanDerWaalsContact NH1-CD2 3.35Å | ||
| 47 | C | 97.8 | Very high | 95.5 | Very high | 4 Ų | 4 | 70.9 Ų | 70.9 | 3% | 0.027 | 34% | 0.336 | C | S | . | . | trans | -73.2 | 128.6 | 178.3 | 174.7 | 0 | 0 | 0 | 0 | 110.5 | R8 C9 V50 L51 | R8-C47 HydrophobicContact CB-CB 4.39Å; R8-C47 HydrophobicContact CG-CB 3.94Å; C9-C47 PolarHBondContact N-SG 2.99Å; C9-C47 VanDerWaalsContact N-SG 3.39Å; C47-V50 HydrophobicContact CB-CB 4.09Å; C47-V50 HydrophobicContact CB-CG2 3.95Å; C47-V50 PolarHBondContact O-N 2.82Å; C47-L51 PolarHBondContact O-N 2.7Å | ||
| 48 | I | 96.5 | Very high | 95.2 | Very high | 56 Ų | 56 | 68.2 Ų | 68.2 | 29% | 0.287 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -57.2 | -53.5 | -176.5 | -60.3 | -179.4 | 0 | 0 | 0 | 110.9 | C12 V50 L51 E52 F90 F91 | C12-I48 HydrophobicContact CB-CB 4.39Å; C12-I48 HydrophobicContact CB-CD1 3.96Å; C12-I48 HydrophobicContact CB-CG1 4.06Å; I48-V50 VanDerWaalsContact C-N 3.27Å; I48-V50 PolarHBondContact O-N 2.99Å; I48-L51 WeakPolarHBondContact O-CA 3.37Å; I48-L51 WeakPolarHBondContact O-CB 3.4Å; I48-L51 PolarHBondContact O-N 3.01Å; I48-E52 WeakPolarHBondContact O-CB 3.44Å; I48-E52 PolarHBondContact O-N 3.14Å; I48-F90 HydrophobicContact CG1-CD1 4.45Å; I48-F91 HydrophobicContact CG2-CE1 3.63Å; I48-F91 HydrophobicContact CG2-CZ 3.55Å |
| 49 | R | 96.5 | Very high | 94.9 | Very high | 136 Ų | 136 | 64.1 Ų | 64.1 | 51% | 0.513 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -55.4 | -36.5 | 177.5 | -167.3 | 179.5 | -170.6 | 178.6 | 3.7 | 113.7 | C9 S53 | C9-R49 HydrophobicContact CB-CB 4.26Å; R49-S53 WeakPolarHBondContact O-CB 3.42Å; R49-S53 PolarHBondContact O-N 3.06Å; R49-S53 PolarHBondContact O-OG 3.36Å; R49-S53 VanDerWaalsContact O-OG 3.12Å |
| 50 | V | 96.3 | Very high | 94.6 | Very high | 49 Ų | 49 | 61.1 Ų | 61.1 | 30% | 0.297 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -76.8 | -29.9 | 178.9 | 179.7 | 0 | 0 | 0 | 0 | 111.8 | T6 R8 C47 I48 K54 | T6-V50 HydrophobicContact CG2-CG2 4.15Å; R8-V50 HydrophobicContact CG-CG2 4.13Å; C47-V50 HydrophobicContact CB-CB 4.09Å; C47-V50 HydrophobicContact CB-CG2 3.95Å; C47-V50 PolarHBondContact O-N 2.82Å; I48-V50 VanDerWaalsContact C-N 3.27Å; I48-V50 PolarHBondContact O-N 2.99Å; V50-K54 PolarHBondContact O-N 3.38Å |
| 51 | L | 95.5 | Very high | 94.2 | Very high | 16 Ų | 16 | 57 Ų | 57 | 8% | 0.084 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -72.9 | -44.3 | 173.2 | 178.8 | 65 | 0 | 0 | 0 | 111.1 | C47 I48 K54 L55 V83 L86 F90 F91 | C47-L51 PolarHBondContact O-N 2.7Å; I48-L51 WeakPolarHBondContact O-CA 3.37Å; I48-L51 WeakPolarHBondContact O-CB 3.4Å; I48-L51 PolarHBondContact O-N 3.01Å; L51-K54 CarbonylContact O-C 3.44Å; L51-K54 WeakPolarHBondContact O-CA 3.28Å; L51-K54 WeakPolarHBondContact O-CB 3.42Å; L51-K54 PolarHBondContact O-N 2.82Å; L51-L55 HydrophobicContact CD1-CD1 4.4Å; L51-L55 HydrophobicContact CG-CD1 4.06Å; L51-L55 WeakPolarHBondContact O-CG 3.45Å; L51-L55 PolarHBondContact O-N 3.12Å; L51-V83 HydrophobicContact CD1-CG1 4.37Å; L51-L86 HydrophobicContact CD1-CB 3.86Å; L51-L86 HydrophobicContact CD1-CD1 3.99Å; L51-L86 HydrophobicContact CD2-CB 3.91Å; L51-L86 HydrophobicContact CG-CB 4.49Å; L51-F90 HydrophobicContact CD2-CB 4.02Å; L51-F90 HydrophobicContact CD2-CD2 3.59Å; L51-F90 HydrophobicContact CD2-CE2 4.29Å; L51-F90 HydrophobicContact CD2-CG 3.93Å; L51-F91 HydrophobicContact CB-CE2 4.47Å; L51-F91 HydrophobicContact CD2-CE2 3.8Å; L51-F91 HydrophobicContact CG-CE2 3.96Å |
| 52 | E | 95.9 | Very high | 93.2 | Very high | 63 Ų | 63 | 58.3 Ų | 58.3 | 29% | 0.294 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -55.6 | -56.3 | 172.1 | 167.7 | 178 | -135.9 | 0 | 0 | 111.7 | I48 K54 L55 Q56 F91 F95 | I48-E52 WeakPolarHBondContact O-CB 3.44Å; I48-E52 PolarHBondContact O-N 3.14Å; E52-K54 CarbonylContact O-C 3.34Å; E52-K54 PolarHBondContact O-N 2.99Å; E52-L55 PolarHBondContact O-N 3.18Å; E52-Q56 WeakPolarHBondContact O-CG 3.4Å; E52-Q56 PolarHBondContact O-N 3.18Å; E52-F91 HydrophobicContact CB-CE1 4.35Å; E52-F91 HydrophobicContact CB-CZ 3.84Å; E52-F95 HydrophobicContact CG-CE2 4.46Å; E52-F95 HydrophobicContact CG-CZ 3.89Å |
| 53 | S | 94.4 | Very high | 92.7 | Very high | 27 Ų | 27 | 67.7 Ų | 67.7 | 19% | 0.189 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.6 | -4.3 | 175.2 | -54.9 | 0 | 0 | 0 | 0 | 113.7 | R49 R57 | R49-S53 WeakPolarHBondContact O-CB 3.42Å; R49-S53 PolarHBondContact O-N 3.06Å; R49-S53 PolarHBondContact O-OG 3.36Å; R49-S53 VanDerWaalsContact O-OG 3.12Å; S53-R57 VanDerWaalsContact O-CZ 3.28Å; S53-R57 PolarHBondContact O-NE 2.74Å; S53-R57 PolarHBondContact O-NH2 3.49Å |
| 54 | K | 94 | Very high | 92.5 | Very high | 85 Ų | 85 | 66.5 Ų | 66.5 | 37% | 0.37 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -89.1 | -50.1 | 162.7 | -176.6 | 174.7 | 175.9 | 178.9 | 0 | 110.5 | V50 L51 E52 Q56 R57 E58 V83 | V50-K54 PolarHBondContact O-N 3.38Å; L51-K54 CarbonylContact O-C 3.44Å; L51-K54 WeakPolarHBondContact O-CA 3.28Å; L51-K54 WeakPolarHBondContact O-CB 3.42Å; L51-K54 PolarHBondContact O-N 2.82Å; E52-K54 CarbonylContact O-C 3.34Å; E52-K54 PolarHBondContact O-N 2.99Å; K54-Q56 VanDerWaalsContact C-N 3.35Å; K54-Q56 PolarHBondContact O-N 2.87Å; K54-R57 PolarHBondContact O-N 3.09Å; K54-E58 WeakPolarHBondContact CE-OE1 3.47Å; K54-E58 HydrophobicContact CG-CG 4.16Å; K54-E58 IonicContact NZ-OE1 3.06Å; K54-E58 PolarHBondContact NZ-OE1 3.11Å; K54-E58 VanDerWaalsContact NZ-OE1 3.13Å; K54-E58 WeakPolarHBondContact O-CG 3.47Å; K54-E58 PolarHBondContact O-N 3.45Å; K54-V83 HydrophobicContact CD-CG1 3.93Å; K54-V83 HydrophobicContact CG-CG1 4.17Å |
| 55 | L | 94.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.3 | -42.2 | -178.9 | -76.4 | 169.4 | 0 | 0 | 0 | 112.8 | L51 E52 R57 E58 A59 V83 D87 F91 F95 L96 | L51-L55 HydrophobicContact CD1-CD1 4.4Å; L51-L55 HydrophobicContact CG-CD1 4.06Å; L51-L55 WeakPolarHBondContact O-CG 3.45Å; L51-L55 PolarHBondContact O-N 3.12Å; E52-L55 PolarHBondContact O-N 3.18Å; L55-R57 PolarHBondContact O-N 3.49Å; L55-E58 CarbonylContact O-C 3.59Å; L55-E58 PolarHBondContact O-N 3.42Å; L55-A59 WeakPolarHBondContact O-CB 3.44Å; L55-A59 PolarHBondContact O-N 3.37Å; L55-V83 HydrophobicContact CD2-CB 4.25Å; L55-V83 HydrophobicContact CD2-CG1 3.65Å; L55-V83 HydrophobicContact CG-CG1 4.18Å; L55-D87 HydrophobicContact CD1-CB 3.79Å; L55-D87 HydrophobicContact CD2-CB 3.75Å; L55-D87 HydrophobicContact CG-CB 4.44Å; L55-F91 HydrophobicContact CD1-CD2 3.59Å; L55-F91 HydrophobicContact CD1-CE2 3.65Å; L55-F95 HydrophobicContact CB-CB 3.77Å; L55-F95 HydrophobicContact CB-CD1 4.39Å; L55-F95 HydrophobicContact CB-CD2 3.94Å; L55-F95 HydrophobicContact CB-CG 3.77Å; L55-F95 HydrophobicContact CD1-CB 4.49Å; L55-F95 HydrophobicContact CD1-CD2 3.86Å; L55-F95 HydrophobicContact CD1-CG 4.44Å; L55-F95 HydrophobicContact CG-CB 4.5Å; L55-L96 HydrophobicContact CD2-CD1 3.83Å; L55-L96 HydrophobicContact CD2-CG 4.49Å |
| 56 | Q | 92.7 | Very high | 92.4 | Very high | 88 Ų | 88 | 66.3 Ų | 66.3 | 41% | 0.411 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -54.3 | -34.8 | 173.1 | -70 | 167.2 | -19 | 0 | 0 | 113.1 | E52 K54 T60 F95 | E52-Q56 WeakPolarHBondContact O-CG 3.4Å; E52-Q56 PolarHBondContact O-N 3.18Å; K54-Q56 VanDerWaalsContact C-N 3.35Å; K54-Q56 PolarHBondContact O-N 2.87Å; Q56-T60 PolarHBondContact O-N 3.48Å; Q56-T60 PolarHBondContact O-OG1 3.13Å; Q56-F95 HydrophobicContact CG-CD1 4.01Å; Q56-F95 HydrophobicContact CG-CE1 3.61Å; Q56-F95 HydrophobicContact CG-CZ 4.45Å |
| 57 | R | 91.8 | Very high | 92.3 | Very high | 156 Ų | 156 | 65.5 Ų | 65.5 | 59% | 0.589 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -84.7 | -25.4 | 177.2 | -72.7 | 179.6 | -71.8 | 157.6 | -2.4 | 113.9 | S53 K54 L55 T60 | S53-R57 VanDerWaalsContact O-CZ 3.28Å; S53-R57 PolarHBondContact O-NE 2.74Å; S53-R57 PolarHBondContact O-NH2 3.49Å; K54-R57 PolarHBondContact O-N 3.09Å; L55-R57 PolarHBondContact O-N 3.49Å; R57-T60 PolarHBondContact O-OG1 3.49Å |
| 58 | E | 92 | Very high | 92.2 | Very high | 55 Ų | 55 | 67.3 Ų | 67.3 | 26% | 0.257 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -78.3 | -31.1 | 172.4 | -58.6 | -83.6 | -161.2 | 0 | 0 | 110.1 | K54 L55 S61 V83 L96 | K54-E58 WeakPolarHBondContact CE-OE1 3.47Å; K54-E58 HydrophobicContact CG-CG 4.16Å; K54-E58 IonicContact NZ-OE1 3.06Å; K54-E58 PolarHBondContact NZ-OE1 3.11Å; K54-E58 VanDerWaalsContact NZ-OE1 3.13Å; K54-E58 WeakPolarHBondContact O-CG 3.47Å; K54-E58 PolarHBondContact O-N 3.45Å; L55-E58 CarbonylContact O-C 3.59Å; L55-E58 PolarHBondContact O-N 3.42Å; E58-S61 CarbonylContact O-C 3.51Å; E58-S61 WeakPolarHBondContact O-CA 3.06Å; E58-S61 WeakPolarHBondContact O-CB 3.19Å; E58-S61 PolarHBondContact O-N 2.92Å; E58-S61 VanDerWaalsContact O-N 3.12Å; E58-V83 HydrophobicContact CG-CG1 4.35Å; E58-L96 HydrophobicContact CB-CD1 4.36Å |
| 59 | A | 90 | Very high | 92.1 | Very high | 22 Ų | 22 | 66.6 Ų | 66.6 | 18% | 0.182 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.2 | -44.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L55 S61 F95 L96 H114 | L55-A59 WeakPolarHBondContact O-CB 3.44Å; L55-A59 PolarHBondContact O-N 3.37Å; A59-S61 PolarHBondContact O-N 3.05Å; A59-S61 VanDerWaalsContact O-N 3.09Å; A59-F95 VanDerWaalsContact CB-O 3.3Å; A59-F95 WeakPolarHBondContact CB-O 3.02Å; A59-L96 HydrophobicContact CB-CD2 4.08Å; A59-H114 PolarHBondContact O-CE1 3.4Å; A59-H114 PolarHBondContact O-ND1 3.49Å; A59-H114 VanDerWaalsContact O-ND1 3.14Å |
| 60 | T | 87.6 | Confident | 92.1 | Very high | 113 Ų | 113 | 68.4 Ų | 68.4 | 69% | 0.693 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -0.5 | 171 | 54.4 | 0 | 0 | 0 | 0 | 113.9 | Q56 R57 | Q56-T60 PolarHBondContact O-N 3.48Å; Q56-T60 PolarHBondContact O-OG1 3.13Å; R57-T60 PolarHBondContact O-OG1 3.49Å |
| 61 | S | 86.1 | Confident | 92.1 | Very high | 24 Ų | 24 | 67.8 Ų | 67.8 | 17% | 0.168 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -109.3 | 110.9 | 176 | 141.4 | 0 | 0 | 0 | 0 | 109.4 | E58 A59 R63 | E58-S61 CarbonylContact O-C 3.51Å; E58-S61 WeakPolarHBondContact O-CA 3.06Å; E58-S61 WeakPolarHBondContact O-CB 3.19Å; E58-S61 PolarHBondContact O-N 2.92Å; E58-S61 VanDerWaalsContact O-N 3.12Å; A59-S61 PolarHBondContact O-N 3.05Å; A59-S61 VanDerWaalsContact O-N 3.09Å; S61-R63 PolarHBondContact O-N 2.83Å; S61-R63 WeakPolarHBondContact OG-CD 3.49Å; S61-R63 WeakPolarHBondContact OG-CG 3.5Å |
| 62 | S | 75.5 | Confident | 92.2 | Very high | 84 Ų | 84 | 70.2 Ų | 70.2 | 59% | 0.587 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | 24.6 | -177.3 | 52.3 | 0 | 0 | 0 | 0 | 116.1 | ||
| 63 | R | 86.7 | Confident | 92.2 | Very high | 206 Ų | 206 | 69.9 Ų | 69.9 | 78% | 0.777 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -11.2 | 177.3 | -62.3 | 176.3 | -179.9 | 160.5 | -1.8 | 113.6 | S61 | S61-R63 PolarHBondContact O-N 2.83Å; S61-R63 WeakPolarHBondContact OG-CD 3.49Å; S61-R63 WeakPolarHBondContact OG-CG 3.5Å |
| 64 | A | 91.2 | Very high | 92.3 | Very high | 13 Ų | 13 | 69.1 Ų | 69.1 | 11% | 0.107 | 37% | 0.369 | C | S | . | . | trans | -66.1 | 145.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | L96 A99 L112 | A64-L96 HydrophobicContact CB-CD2 4.11Å; A64-A99 HydrophobicContact CB-CB 4.25Å; A64-L112 HydrophobicContact CB-CB 4.16Å; A64-L112 HydrophobicContact CB-CD1 4.15Å; A64-L112 PolarHBondContact O-N 2.77Å | ||
| 65 | R | 94.2 | Very high | 92.4 | Very high | 124 Ų | 124 | 73.7 Ų | 73.7 | 47% | 0.468 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 138.9 | -179 | -59.4 | -176.9 | -61.3 | -141.5 | 1.3 | 110.7 | L100 A109 R110 | R65-L100 VanDerWaalsContact O-CB 3.3Å; R65-L100 WeakPolarHBondContact O-CB 3.28Å; R65-L100 PolarHBondContact O-N 3.46Å; R65-A109 HydrophobicContact CB-CB 4.37Å; R65-R110 CarbonylContact C-O 3.6Å; R65-R110 WeakPolarHBondContact CA-O 3.36Å; R65-R110 WeakPolarHBondContact CB-O 3.43Å |
| 66 | A | 94.9 | Very high | 92.5 | Very high | 32 Ų | 32 | 77.8 Ų | 77.8 | 26% | 0.264 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 145.8 | 165 | 0 | 0 | 0 | 0 | 0 | 109.6 | A109 R110 L112 | A66-A109 CarbonylContact O-C 3.56Å; A66-A109 WeakPolarHBondContact O-CA 3.48Å; A66-R110 PolarHBondContact N-O 3.28Å; A66-R110 PolarHBondContact O-N 2.84Å; A66-L112 HydrophobicContact CB-CD2 4.07Å; A66-L112 HydrophobicContact CB-CG 4.18Å |
| 67 | G | 95 | Very high | 92.7 | Very high | 23 Ų | 23 | 79 Ų | 79 | 24% | 0.237 | 42% | 0.421 | C | S | . | . | trans | -101 | 160.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | G69 | G67-G69 PolarHBondContact O-N 3.04Š| ||
| 68 | C | 95.7 | Very high | 93 | Very high | 41 Ų | 41 | 75.5 Ų | 75.5 | 28% | 0.277 | 41% | 0.414 | S | S | . | . | trans | -70.4 | 2.9 | -177.7 | 69 | 0 | 0 | 0 | 0 | 115.9 | F70 C74 C106 N108 | C68-F70 WeakPolarHBondContact O-CD2 3.45Å; C68-F70 PolarHBondContact O-N 2.92Å; C68-C74 PolarHBondContact N-SG 3.27Å; C68-C106 PolarHBondContact N-SG 3.34Å; C68-C106 VanDerWaalsContact N-SG 3.44Å; C68-N108 HydrophobicContact CB-CB 3.89Å | ||
| 69 | G | 94.1 | Very high | 93.2 | Very high | 42 Ų | 42 | 74.1 Ų | 74.1 | 43% | 0.433 | 41% | 0.41 | S | S | . | . | S | Bend | trans | 70.3 | -47.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | G67 C74 | G67-G69 PolarHBondContact O-N 3.04Å; G69-C74 PolarHBondContact N-SG 3.36Å; G69-C74 VanDerWaalsContact N-SG 3.39Å; G69-C74 WeakPolarHBondContact O-CB 3.42Å |
| 70 | F | 95.8 | Very high | 93.3 | Very high | 173 Ų | 173 | 74.7 Ų | 74.7 | 76% | 0.759 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -90.2 | -18.4 | -163.1 | -53.1 | -68.7 | 0 | 0 | 0 | 116.2 | C68 R75 | C68-F70 WeakPolarHBondContact O-CD2 3.45Å; C68-F70 PolarHBondContact O-N 2.92Å; F70-R75 PolarHBondContact O-NH1 2.89Å; F70-R75 VanDerWaalsContact O-NH1 3.09Å; F70-R75 PolarHBondContact O-NH2 3.38Å |
| 71 | C | 97.3 | Very high | 93.6 | Very high | 37 Ų | 37 | 72.1 Ų | 72.1 | 25% | 0.25 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -74.8 | 162 | 178.6 | 74.3 | 0 | 0 | 0 | 0 | 112.7 | D73 C74 R75 C106 | C71-D73 VanDerWaalsContact C-N 3.33Å; C71-D73 PolarHBondContact O-N 2.89Å; C71-C74 WeakPolarHBondContact O-CB 2.76Å; C71-C74 PolarHBondContact O-N 3.36Å; C71-C74 VanDerWaalsContact O-N 3.13Å; C71-C74 PolarHBondContact SG-N 3.47Å; C71-C74 PolarHBondContact SG-SG 2.76Å; C71-R75 PolarHBondContact O-N 3.03Å; C71-C106 PolarHBondContact SG-SG 3.48Å |
| 72 | A | 96.8 | Very high | 94 | Very high | 67 Ų | 67 | 71.8 Ų | 71.8 | 55% | 0.554 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -54.2 | -46.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | C74 R75 L76 | A72-C74 VanDerWaalsContact C-N 3.29Å; A72-C74 PolarHBondContact O-N 2.89Å; A72-R75 PolarHBondContact O-N 3.16Å; A72-L76 PolarHBondContact O-N 2.91Å; A72-L76 VanDerWaalsContact O-N 3.1Å |
| 73 | D | 96.8 | Very high | 94.9 | Very high | 55 Ų | 55 | 69 Ų | 69 | 29% | 0.294 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -58.7 | -35 | 177.8 | -65.1 | -90.5 | 0 | 0 | 0 | 114.4 | C71 K104 C106 | C71-D73 VanDerWaalsContact C-N 3.33Å; C71-D73 PolarHBondContact O-N 2.89Å; D73-K104 WeakPolarHBondContact O-CB 3.41Å; D73-K104 VanDerWaalsContact O-CD 3.31Å; D73-K104 WeakPolarHBondContact O-CD 3.48Å; D73-K104 WeakPolarHBondContact O-CG 3.35Å; D73-C106 HydrophobicContact CB-CB 4.38Å |
| 74 | C | 96.7 | Very high | 95.3 | Very high | 12 Ų | 12 | 60.2 Ų | 60.2 | 8% | 0.081 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68.6 | -38.4 | 175.7 | -75.9 | 0 | 0 | 0 | 0 | 111.5 | C68 G69 C71 A72 K104 | C68-C74 PolarHBondContact N-SG 3.27Å; G69-C74 PolarHBondContact N-SG 3.36Å; G69-C74 VanDerWaalsContact N-SG 3.39Å; G69-C74 WeakPolarHBondContact O-CB 3.42Å; C71-C74 WeakPolarHBondContact O-CB 2.76Å; C71-C74 PolarHBondContact O-N 3.36Å; C71-C74 VanDerWaalsContact O-N 3.13Å; C71-C74 PolarHBondContact SG-N 3.47Å; C71-C74 PolarHBondContact SG-SG 2.76Å; A72-C74 VanDerWaalsContact C-N 3.29Å; A72-C74 PolarHBondContact O-N 2.89Å; C74-K104 WeakPolarHBondContact O-CE 3.36Å; C74-K104 PolarHBondContact O-NZ 3.24Å |
| 75 | R | 96.3 | Very high | 95.6 | Very high | 181 Ų | 181 | 60 Ų | 60 | 68% | 0.683 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -82 | -7.7 | -177.3 | -65.4 | -171 | -67.1 | -137.5 | -1.3 | 114.6 | F70 C71 A72 | F70-R75 PolarHBondContact O-NH1 2.89Å; F70-R75 VanDerWaalsContact O-NH1 3.09Å; F70-R75 PolarHBondContact O-NH2 3.38Å; C71-R75 PolarHBondContact O-N 3.03Å; A72-R75 PolarHBondContact O-N 3.16Å |
| 76 | L | 96.3 | Very high | 95.7 | Very high | 85 Ų | 85 | 54.5 Ų | 54.5 | 45% | 0.445 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -54.4 | 154.8 | 168.9 | -70.5 | 176 | 0 | 0 | 0 | 111.5 | A72 K104 | A72-L76 PolarHBondContact O-N 2.91Å; A72-L76 VanDerWaalsContact O-N 3.1Å; L76-K104 WeakPolarHBondContact O-CE 3.49Å; L76-K104 PolarHBondContact O-NZ 3.06Å |
| 77 | P | 96.8 | Very high | 95.7 | Very high | 114 Ų | 114 | 53 Ų | 53 | 74% | 0.74 | 31% | 0.312 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 143.8 | 171.1 | 26.9 | -34.3 | 0 | 0 | 0 | 111.4 | ||
| 78 | D | 96.7 | Very high | 95.8 | Very high | 83 Ų | 83 | 57.1 Ų | 57.1 | 44% | 0.444 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 144.3 | 174.1 | -89.8 | 2.1 | 0 | 0 | 0 | 111.6 | G80 C101 K104 | D78-G80 PolarHBondContact O-N 3.12Å; D78-G80 VanDerWaalsContact O-N 3.16Å; D78-C101 HydrophobicContact CB-CB 4.36Å; D78-C101 WeakPolarHBondContact OD1-CB 3.19Å; D78-K104 WeakPolarHBondContact OD1-CE 3.46Å; D78-K104 IonicContact OD1-NZ 3.91Å; D78-K104 PolarHBondContact OD1-NZ 3.07Å |
| 79 | C | 95.6 | Very high | 95.7 | Very high | 26 Ų | 26 | 64 Ų | 64 | 18% | 0.176 | 35% | 0.346 | C | S | . | . | trans | -74.1 | -8.9 | -169.9 | 75.9 | 0 | 0 | 0 | 0 | 115.2 | V81 C82 C85 C101 K103 | C79-V81 HydrophobicContact CB-CG2 4.46Å; C79-V81 PolarHBondContact O-N 2.66Å; C79-C82 VanDerWaalsContact SG-CB 3.57Å; C79-C82 PolarHBondContact SG-N 3.29Å; C79-C82 VanDerWaalsContact SG-N 3.36Å; C79-C85 VanDerWaalsContact SG-SG 3.68Å; C79-C101 PolarHBondContact N-SG 3.46Å; C79-C101 VanDerWaalsContact N-SG 3.38Å; C79-K103 HydrophobicContact CB-CB 4.28Å; C79-K103 HydrophobicContact CB-CD 3.56Å; C79-K103 HydrophobicContact CB-CG 3.73Å | ||
| 80 | G | 93.9 | Very high | 95.8 | Very high | 33 Ų | 33 | 65.2 Ų | 65.2 | 34% | 0.34 | 34% | 0.339 | S | S | . | . | S | Bend | trans | 62.9 | -4.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | D78 | D78-G80 PolarHBondContact O-N 3.12Å; D78-G80 VanDerWaalsContact O-N 3.16Å |
| 81 | V | 93.6 | Very high | 95.8 | Very high | 60 Ų | 60 | 59 Ų | 59 | 36% | 0.364 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -128.9 | -17 | -168.8 | -58.4 | 0 | 0 | 0 | 0 | 116.2 | R46 C79 | R46-V81 PolarHBondContact NH2-O 3.34Å; C79-V81 HydrophobicContact CB-CG2 4.46Å; C79-V81 PolarHBondContact O-N 2.66Å |
| 82 | C | 94.6 | Very high | 95.7 | Very high | 17 Ų | 17 | 61.1 Ų | 61.1 | 12% | 0.115 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -76.7 | 164.6 | 173.3 | 81.5 | 0 | 0 | 0 | 0 | 111.3 | C79 I84 C85 L86 T102 | C79-C82 VanDerWaalsContact SG-CB 3.57Å; C79-C82 PolarHBondContact SG-N 3.29Å; C79-C82 VanDerWaalsContact SG-N 3.36Å; C82-I84 VanDerWaalsContact C-N 3.33Å; C82-I84 PolarHBondContact O-N 3.04Å; C82-C85 PolarHBondContact O-N 3.38Å; C82-C85 PolarHBondContact SG-SG 3.04Å; C82-L86 VanDerWaalsContact O-CG 3.28Å; C82-L86 WeakPolarHBondContact O-CG 3.49Å; C82-L86 PolarHBondContact O-N 2.95Å; C82-T102 HydrophobicContact CB-CG2 4.11Å; C82-T102 WeakPolarHBondContact CB-OG1 3.39Å |
| 83 | V | 94.3 | Very high | 95.6 | Very high | 26 Ų | 26 | 58.2 Ų | 58.2 | 16% | 0.158 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.1 | -41.9 | -173.1 | -135.7 | 0 | 0 | 0 | 0 | 112.2 | L51 K54 L55 E58 L86 D87 | L51-V83 HydrophobicContact CD1-CG1 4.37Å; K54-V83 HydrophobicContact CD-CG1 3.93Å; K54-V83 HydrophobicContact CG-CG1 4.17Å; L55-V83 HydrophobicContact CD2-CB 4.25Å; L55-V83 HydrophobicContact CD2-CG1 3.65Å; L55-V83 HydrophobicContact CG-CG1 4.18Å; E58-V83 HydrophobicContact CG-CG1 4.35Å; V83-L86 CarbonylContact O-C 3.3Å; V83-L86 WeakPolarHBondContact O-CA 3.44Å; V83-L86 WeakPolarHBondContact O-CB 3.28Å; V83-L86 PolarHBondContact O-N 3.16Å; V83-D87 PolarHBondContact O-N 2.85Å |
| 84 | I | 95.3 | Very high | 95.4 | Very high | 21 Ų | 21 | 62.7 Ų | 62.7 | 11% | 0.108 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.6 | -47.7 | 176.2 | -65.6 | 168 | 0 | 0 | 0 | 111.7 | C82 L86 D87 Q88 L96 A99 L100 T102 | C82-I84 VanDerWaalsContact C-N 3.33Å; C82-I84 PolarHBondContact O-N 3.04Å; I84-L86 PolarHBondContact O-N 3.38Å; I84-D87 WeakPolarHBondContact O-CB 3.45Å; I84-D87 PolarHBondContact O-N 3.14Å; I84-Q88 PolarHBondContact O-N 3.33Å; I84-L96 HydrophobicContact CG1-CD1 3.83Å; I84-A99 HydrophobicContact CD1-CB 3.95Å; I84-A99 HydrophobicContact CG1-CB 4.07Å; I84-A99 HydrophobicContact CG2-CB 3.86Å; I84-A99 WeakPolarHBondContact CG2-O 3.34Å; I84-L100 VanDerWaalsContact CD1-O 3.22Å; I84-L100 WeakPolarHBondContact CD1-O 3.35Å; I84-T102 HydrophobicContact CD1-CG2 3.81Å; I84-T102 HydrophobicContact CG1-CG2 4.5Å |
| 85 | C | 96.7 | Very high | 95.3 | Very high | 9 Ų | 9 | 63.9 Ų | 63.9 | 6% | 0.061 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.8 | -19.8 | 176.2 | -61 | 0 | 0 | 0 | 0 | 113.4 | C79 C82 R89 C101 | C79-C85 VanDerWaalsContact SG-SG 3.68Å; C82-C85 PolarHBondContact O-N 3.38Å; C82-C85 PolarHBondContact SG-SG 3.04Å; C85-R89 VanDerWaalsContact O-CB 3.27Å; C85-R89 WeakPolarHBondContact O-CB 3.42Å; C85-R89 PolarHBondContact O-N 2.69Å; C85-C101 VanDerWaalsContact SG-CB 3.58Å |
| 86 | L | 95.7 | Very high | 95.2 | Very high | 7 Ų | 7 | 56.1 Ų | 56.1 | 4% | 0.037 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -85.2 | -32.3 | 175.5 | -65.5 | 166.6 | 0 | 0 | 0 | 111.5 | R46 L51 C82 V83 I84 R89 F90 | R46-L86 VanDerWaalsContact NH1-CD2 3.35Å; L51-L86 HydrophobicContact CD1-CB 3.86Å; L51-L86 HydrophobicContact CD1-CD1 3.99Å; L51-L86 HydrophobicContact CD2-CB 3.91Å; L51-L86 HydrophobicContact CG-CB 4.49Å; C82-L86 VanDerWaalsContact O-CG 3.28Å; C82-L86 WeakPolarHBondContact O-CG 3.49Å; C82-L86 PolarHBondContact O-N 2.95Å; V83-L86 CarbonylContact O-C 3.3Å; V83-L86 WeakPolarHBondContact O-CA 3.44Å; V83-L86 WeakPolarHBondContact O-CB 3.28Å; V83-L86 PolarHBondContact O-N 3.16Å; I84-L86 PolarHBondContact O-N 3.38Å; L86-R89 PolarHBondContact O-N 3.13Å; L86-F90 HydrophobicContact CB-CD2 4.42Å; L86-F90 HydrophobicContact CD2-CD2 4.19Å; L86-F90 HydrophobicContact CD2-CE2 3.84Å; L86-F90 WeakPolarHBondContact O-CB 3.36Å; L86-F90 WeakPolarHBondContact O-CD2 3.31Å; L86-F90 PolarHBondContact O-N 3.15Å |
| 87 | D | 96.2 | Very high | 95 | Very high | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.4 | -53.4 | 167.6 | -169.3 | 27.3 | 0 | 0 | 0 | 110.9 | L55 V83 I84 R89 F90 F91 A92 G93 F95 L96 | L55-D87 HydrophobicContact CD1-CB 3.79Å; L55-D87 HydrophobicContact CD2-CB 3.75Å; L55-D87 HydrophobicContact CG-CB 4.44Å; V83-D87 PolarHBondContact O-N 2.85Å; I84-D87 WeakPolarHBondContact O-CB 3.45Å; I84-D87 PolarHBondContact O-N 3.14Å; D87-R89 PolarHBondContact O-N 2.91Å; D87-R89 VanDerWaalsContact O-N 3.13Å; D87-F90 PolarHBondContact O-N 3.09Å; D87-F91 CarbonylContact O-C 2.95Å; D87-F91 WeakPolarHBondContact O-CA 3.01Å; D87-F91 PolarHBondContact O-N 2.64Å; D87-A92 PolarHBondContact O-N 3.03Å; D87-A92 VanDerWaalsContact O-N 3.14Å; D87-G93 PolarHBondContact O-N 2.96Å; D87-G93 VanDerWaalsContact OD2-CA 3.32Å; D87-G93 WeakPolarHBondContact OD2-CA 3.49Å; D87-F95 WeakPolarHBondContact OD1-CD2 3.39Å; D87-F95 PolarHBondContact OD1-N 3.39Å; D87-F95 PolarHBondContact OD2-N 3.24Å; D87-F95 VanDerWaalsContact OD2-N 3.12Å; D87-L96 WeakPolarHBondContact OD2-CB 2.85Å; D87-L96 PolarHBondContact OD2-N 3.22Å |
| 88 | Q | 95.7 | Very high | 94.8 | Very high | 110 Ų | 110 | 53.6 Ų | 53.6 | 51% | 0.514 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58 | -31.3 | 177.7 | -164.1 | 58.9 | 59.8 | 0 | 0 | 113.2 | I84 A92 | I84-Q88 PolarHBondContact O-N 3.33Å; Q88-A92 VanDerWaalsContact NE2-C 3.28Å; Q88-A92 PolarHBondContact NE2-O 3Å |
| 89 | R | 95.2 | Very high | 94.7 | Very high | 186 Ų | 186 | 50.5 Ų | 50.5 | 70% | 0.702 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -85.2 | -36.6 | -178.5 | 178.4 | 175.6 | 174.8 | 167 | 4.6 | 114.5 | C85 L86 D87 | C85-R89 VanDerWaalsContact O-CB 3.27Å; C85-R89 WeakPolarHBondContact O-CB 3.42Å; C85-R89 PolarHBondContact O-N 2.69Å; L86-R89 PolarHBondContact O-N 3.13Å; D87-R89 PolarHBondContact O-N 2.91Å; D87-R89 VanDerWaalsContact O-N 3.13Å |
| 90 | F | 95.5 | Very high | 94.7 | Very high | 67 Ų | 67 | 50.7 Ų | 50.7 | 29% | 0.294 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -107 | -21.6 | -172.2 | -74.5 | -81.7 | 0 | 0 | 0 | 113.8 | I48 L51 L86 D87 | I48-F90 HydrophobicContact CG1-CD1 4.45Å; L51-F90 HydrophobicContact CD2-CB 4.02Å; L51-F90 HydrophobicContact CD2-CD2 3.59Å; L51-F90 HydrophobicContact CD2-CE2 4.29Å; L51-F90 HydrophobicContact CD2-CG 3.93Å; L86-F90 HydrophobicContact CB-CD2 4.42Å; L86-F90 HydrophobicContact CD2-CD2 4.19Å; L86-F90 HydrophobicContact CD2-CE2 3.84Å; L86-F90 WeakPolarHBondContact O-CB 3.36Å; L86-F90 WeakPolarHBondContact O-CD2 3.31Å; L86-F90 PolarHBondContact O-N 3.15Å; D87-F90 PolarHBondContact O-N 3.09Å |
| 91 | F | 96.3 | Very high | 94.9 | Very high | 43 Ų | 43 | 49.2 Ų | 49.2 | 19% | 0.189 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -138 | 20.9 | -176 | -48 | -81.5 | 0 | 0 | 0 | 112.2 | I48 L51 E52 L55 D87 G93 H94 F95 | I48-F91 HydrophobicContact CG2-CE1 3.63Å; I48-F91 HydrophobicContact CG2-CZ 3.55Å; L51-F91 HydrophobicContact CB-CE2 4.47Å; L51-F91 HydrophobicContact CD2-CE2 3.8Å; L51-F91 HydrophobicContact CG-CE2 3.96Å; E52-F91 HydrophobicContact CB-CE1 4.35Å; E52-F91 HydrophobicContact CB-CZ 3.84Å; L55-F91 HydrophobicContact CD1-CD2 3.59Å; L55-F91 HydrophobicContact CD1-CE2 3.65Å; D87-F91 CarbonylContact O-C 2.95Å; D87-F91 WeakPolarHBondContact O-CA 3.01Å; D87-F91 PolarHBondContact O-N 2.64Å; F91-G93 PolarHBondContact O-N 2.99Å; F91-H94 HydrophobicContact CB-CB 4.31Å; F91-H94 WeakPolarHBondContact O-CB 3.21Å; F91-H94 PolarHBondContact O-N 3.25Å; F91-F95 HydrophobicContact CB-CD2 4.09Å; F91-F95 HydrophobicContact CB-CE2 4.07Å; F91-F95 AromaticContact CD1-CE2 3.85Å; F91-F95 HydrophobicContact CD1-CE2 3.85Å; F91-F95 HydrophobicContact CD2-CD2 4.04Å; F91-F95 AromaticContact CD2-CE2 3.95Å; F91-F95 HydrophobicContact CD2-CE2 3.95Å; F91-F95 HydrophobicContact CE1-CE2 4.22Å; F91-F95 HydrophobicContact CE2-CE2 4.33Å; F91-F95 HydrophobicContact CG-CD2 4.02Å; F91-F95 AromaticContact CG-CE2 3.69Å; F91-F95 HydrophobicContact CG-CE2 3.69Å; F91-F95 HydrophobicContact CZ-CE2 4.44Å |
| 92 | A | 95 | Very high | 94.9 | Very high | 81 Ų | 81 | 50.5 Ų | 50.5 | 67% | 0.669 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 15.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | D87 Q88 | D87-A92 PolarHBondContact O-N 3.03Å; D87-A92 VanDerWaalsContact O-N 3.14Å; Q88-A92 VanDerWaalsContact NE2-C 3.28Å; Q88-A92 PolarHBondContact NE2-O 3Å |
| 93 | G | 93.5 | Very high | 95 | Very high | 6 Ų | 6 | 56.7 Ų | 56.7 | 6% | 0.062 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.4 | 15.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | D87 F91 F95 L96 P97 | D87-G93 PolarHBondContact O-N 2.96Å; D87-G93 VanDerWaalsContact OD2-CA 3.32Å; D87-G93 WeakPolarHBondContact OD2-CA 3.49Å; F91-G93 PolarHBondContact O-N 2.99Å; G93-F95 VanDerWaalsContact C-N 3.31Å; G93-F95 PolarHBondContact O-N 3.11Å; G93-L96 CarbonylContact O-C 3.52Å; G93-P97 VanDerWaalsContact O-CA 3.25Å; G93-P97 WeakPolarHBondContact O-CA 3.13Å; G93-P97 WeakPolarHBondContact O-CD 3.27Å; G93-P97 VanDerWaalsContact O-N 3.11Å |
| 94 | H | 94.4 | Very high | 95.1 | Very high | 148 Ų | 148 | 56.5 Ų | 56.5 | 69% | 0.685 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -62.1 | -30.8 | -175.3 | -178.8 | -90.4 | 0 | 0 | 0 | 114.1 | F91 | F91-H94 HydrophobicContact CB-CB 4.31Å; F91-H94 WeakPolarHBondContact O-CB 3.21Å; F91-H94 PolarHBondContact O-N 3.25Å |
| 95 | F | 93.6 | Very high | 95.1 | Very high | 38 Ų | 38 | 63.5 Ų | 63.5 | 17% | 0.167 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -90.2 | -26.9 | -177.3 | -67.4 | -77.6 | 0 | 0 | 0 | 113.7 | E52 L55 Q56 A59 D87 F91 G93 | E52-F95 HydrophobicContact CG-CE2 4.46Å; E52-F95 HydrophobicContact CG-CZ 3.89Å; L55-F95 HydrophobicContact CB-CB 3.77Å; L55-F95 HydrophobicContact CB-CD1 4.39Å; L55-F95 HydrophobicContact CB-CD2 3.94Å; L55-F95 HydrophobicContact CB-CG 3.77Å; L55-F95 HydrophobicContact CD1-CB 4.49Å; L55-F95 HydrophobicContact CD1-CD2 3.86Å; L55-F95 HydrophobicContact CD1-CG 4.44Å; L55-F95 HydrophobicContact CG-CB 4.5Å; Q56-F95 HydrophobicContact CG-CD1 4.01Å; Q56-F95 HydrophobicContact CG-CE1 3.61Å; Q56-F95 HydrophobicContact CG-CZ 4.45Å; A59-F95 VanDerWaalsContact CB-O 3.3Å; A59-F95 WeakPolarHBondContact CB-O 3.02Å; D87-F95 WeakPolarHBondContact OD1-CD2 3.39Å; D87-F95 PolarHBondContact OD1-N 3.39Å; D87-F95 PolarHBondContact OD2-N 3.24Å; D87-F95 VanDerWaalsContact OD2-N 3.12Å; F91-F95 HydrophobicContact CB-CD2 4.09Å; F91-F95 HydrophobicContact CB-CE2 4.07Å; F91-F95 AromaticContact CD1-CE2 3.85Å; F91-F95 HydrophobicContact CD1-CE2 3.85Å; F91-F95 HydrophobicContact CD2-CD2 4.04Å; F91-F95 AromaticContact CD2-CE2 3.95Å; F91-F95 HydrophobicContact CD2-CE2 3.95Å; F91-F95 HydrophobicContact CE1-CE2 4.22Å; F91-F95 HydrophobicContact CE2-CE2 4.33Å; F91-F95 HydrophobicContact CG-CD2 4.02Å; F91-F95 AromaticContact CG-CE2 3.69Å; F91-F95 HydrophobicContact CG-CE2 3.69Å; F91-F95 HydrophobicContact CZ-CE2 4.44Å; G93-F95 VanDerWaalsContact C-N 3.31Å; G93-F95 PolarHBondContact O-N 3.11Å |
| 96 | L | 93.5 | Very high | 95.1 | Very high | 17 Ų | 17 | 63.5 Ų | 63.5 | 9% | 0.089 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -137.6 | 58.6 | -176.3 | -65.6 | 173.4 | 0 | 0 | 0 | 110.7 | L55 E58 A59 A64 I84 D87 G93 G98 A99 | L55-L96 HydrophobicContact CD2-CD1 3.83Å; L55-L96 HydrophobicContact CD2-CG 4.49Å; E58-L96 HydrophobicContact CB-CD1 4.36Å; A59-L96 HydrophobicContact CB-CD2 4.08Å; A64-L96 HydrophobicContact CB-CD2 4.11Å; I84-L96 HydrophobicContact CG1-CD1 3.83Å; D87-L96 WeakPolarHBondContact OD2-CB 2.85Å; D87-L96 PolarHBondContact OD2-N 3.22Å; G93-L96 CarbonylContact O-C 3.52Å; L96-G98 PolarHBondContact O-N 3.36Å; L96-A99 HydrophobicContact CB-CB 3.91Å; L96-A99 WeakPolarHBondContact O-CB 3.41Å; L96-A99 PolarHBondContact O-N 2.88Å; L96-A99 VanDerWaalsContact O-N 3.13Å |
| 97 | P | 93 | Very high | 95.1 | Very high | 87 Ų | 87 | 67.7 Ų | 67.7 | 57% | 0.565 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 135.4 | -174 | 24.4 | -34.7 | 0 | 0 | 0 | 112 | G93 A99 | G93-P97 VanDerWaalsContact O-CA 3.25Å; G93-P97 WeakPolarHBondContact O-CA 3.13Å; G93-P97 WeakPolarHBondContact O-CD 3.27Å; G93-P97 VanDerWaalsContact O-N 3.11Å; P97-A99 PolarHBondContact O-N 3.35Å |
| 98 | G | 93.1 | Very high | 95.1 | Very high | 60 Ų | 60 | 73.1 Ų | 73.1 | 62% | 0.619 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70 | 3.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | L96 | L96-G98 PolarHBondContact O-N 3.36Š|
| 99 | A | 95.2 | Very high | 95 | Very high | 17 Ų | 17 | 69.2 Ų | 69.2 | 14% | 0.14 | 38% | 0.383 | C | S | . | . | trans | -71.9 | 132.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A64 I84 L96 P97 L112 | A64-A99 HydrophobicContact CB-CB 4.25Å; I84-A99 HydrophobicContact CD1-CB 3.95Å; I84-A99 HydrophobicContact CG1-CB 4.07Å; I84-A99 HydrophobicContact CG2-CB 3.86Å; I84-A99 WeakPolarHBondContact CG2-O 3.34Å; L96-A99 HydrophobicContact CB-CB 3.91Å; L96-A99 WeakPolarHBondContact O-CB 3.41Å; L96-A99 PolarHBondContact O-N 2.88Å; L96-A99 VanDerWaalsContact O-N 3.13Å; P97-A99 PolarHBondContact O-N 3.35Å; A99-L112 VanDerWaalsContact CA-CD1 3.5Å; A99-L112 HydrophobicContact CB-CD1 3.73Å | ||
| 100 | L | 95.4 | Very high | 94.9 | Very high | 31 Ų | 31 | 69.9 Ų | 69.9 | 16% | 0.162 | 39% | 0.385 | C | S | . | . | trans | -79.1 | 132.9 | -179.9 | -166 | 75.2 | 0 | 0 | 0 | 110.8 | R65 I84 T102 K104 C106 | R65-L100 VanDerWaalsContact O-CB 3.3Å; R65-L100 WeakPolarHBondContact O-CB 3.28Å; R65-L100 PolarHBondContact O-N 3.46Å; I84-L100 VanDerWaalsContact CD1-O 3.22Å; I84-L100 WeakPolarHBondContact CD1-O 3.35Å; L100-T102 PolarHBondContact O-N 3.2Å; L100-K104 HydrophobicContact CD1-CB 4.37Å; L100-K104 HydrophobicContact CD1-CD 3.73Å; L100-K104 HydrophobicContact CD2-CB 3.65Å; L100-K104 HydrophobicContact CG-CB 3.81Å; L100-K104 HydrophobicContact CG-CD 3.98Å; L100-K104 HydrophobicContact CG-CG 4.47Å; L100-C106 HydrophobicContact CD2-CB 3.84Å | ||
| 101 | C | 96.9 | Very high | 94.8 | Very high | 2 Ų | 2 | 71.1 Ų | 71.1 | 1% | 0.014 | 40% | 0.4 | C | S | . | . | trans | -44.8 | 131 | 174.1 | 164 | 0 | 0 | 0 | 0 | 112.5 | D78 C79 C85 K103 K104 | D78-C101 HydrophobicContact CB-CB 4.36Å; D78-C101 WeakPolarHBondContact OD1-CB 3.19Å; C79-C101 PolarHBondContact N-SG 3.46Å; C79-C101 VanDerWaalsContact N-SG 3.38Å; C85-C101 VanDerWaalsContact SG-CB 3.58Å; C101-K103 PolarHBondContact O-N 3.32Å; C101-K104 HydrophobicContact CB-CD 4.09Å; C101-K104 HydrophobicContact CB-CG 4.16Å; C101-K104 WeakPolarHBondContact O-CB 3.39Å; C101-K104 PolarHBondContact O-N 2.91Å | ||
| 102 | T | 94.8 | Very high | 94.3 | Very high | 86 Ų | 86 | 71.1 Ų | 71.1 | 53% | 0.528 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -10.2 | -172.2 | 69.6 | 0 | 0 | 0 | 0 | 115.3 | C82 I84 L100 | C82-T102 HydrophobicContact CB-CG2 4.11Å; C82-T102 WeakPolarHBondContact CB-OG1 3.39Å; I84-T102 HydrophobicContact CD1-CG2 3.81Å; I84-T102 HydrophobicContact CG1-CG2 4.5Å; L100-T102 PolarHBondContact O-N 3.2Å |
| 103 | K | 95.5 | Very high | 93.3 | Very high | 148 Ų | 148 | 74 Ų | 74 | 64% | 0.643 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -22.3 | 171.5 | -73.9 | -157.3 | -176.3 | -177.8 | 0 | 113.6 | C79 C101 | C79-K103 HydrophobicContact CB-CB 4.28Å; C79-K103 HydrophobicContact CB-CD 3.56Å; C79-K103 HydrophobicContact CB-CG 3.73Å; C101-K103 PolarHBondContact O-N 3.32Å |
| 104 | K | 96.5 | Very high | 91.9 | Very high | 22 Ų | 22 | 78.2 Ų | 78.2 | 10% | 0.096 | 42% | 0.424 | C | S | . | . | trans | -79.2 | 132.9 | -177 | -63.7 | -177.5 | 165.8 | 176.6 | 0 | 110.1 | D73 C74 L76 D78 L100 C101 | D73-K104 WeakPolarHBondContact O-CB 3.41Å; D73-K104 VanDerWaalsContact O-CD 3.31Å; D73-K104 WeakPolarHBondContact O-CD 3.48Å; D73-K104 WeakPolarHBondContact O-CG 3.35Å; C74-K104 WeakPolarHBondContact O-CE 3.36Å; C74-K104 PolarHBondContact O-NZ 3.24Å; L76-K104 WeakPolarHBondContact O-CE 3.49Å; L76-K104 PolarHBondContact O-NZ 3.06Å; D78-K104 WeakPolarHBondContact OD1-CE 3.46Å; D78-K104 IonicContact OD1-NZ 3.91Å; D78-K104 PolarHBondContact OD1-NZ 3.07Å; L100-K104 HydrophobicContact CD1-CB 4.37Å; L100-K104 HydrophobicContact CD1-CD 3.73Å; L100-K104 HydrophobicContact CD2-CB 3.65Å; L100-K104 HydrophobicContact CG-CB 3.81Å; L100-K104 HydrophobicContact CG-CD 3.98Å; L100-K104 HydrophobicContact CG-CG 4.47Å; C101-K104 HydrophobicContact CB-CD 4.09Å; C101-K104 HydrophobicContact CB-CG 4.16Å; C101-K104 WeakPolarHBondContact O-CB 3.39Å; C101-K104 PolarHBondContact O-N 2.91Å | ||
| 105 | K | 95.5 | Very high | 90 | Very high | 167 Ų | 167 | 76.5 Ų | 76.5 | 73% | 0.726 | 43% | 0.426 | S | S | * | . | trans | -114.2 | 40.3 | -171.5 | -70.6 | 169 | 165.9 | -74 | 0 | 112.5 | A107 | K105-A107 PolarHBondContact O-N 3.48Å; K105-A107 VanDerWaalsContact O-N 3.11Å | ||
| 106 | C | 97 | Very high | 87.8 | Confident | 9 Ų | 9 | 78.4 Ų | 78.4 | 6% | 0.061 | 44% | 0.444 | C | S | . | . | trans | -50.9 | 118.8 | 177.9 | 176.4 | 0 | 0 | 0 | 0 | 111.4 | C68 C71 D73 L100 N108 A109 | C68-C106 PolarHBondContact N-SG 3.34Å; C68-C106 VanDerWaalsContact N-SG 3.44Å; C71-C106 PolarHBondContact SG-SG 3.48Å; D73-C106 HydrophobicContact CB-CB 4.38Å; L100-C106 HydrophobicContact CD2-CB 3.84Å; C106-N108 PolarHBondContact O-N 3.49Å; C106-N108 PolarHBondContact SG-N 3.13Å; C106-A109 HydrophobicContact CB-CB 4.22Å; C106-A109 WeakPolarHBondContact O-CB 3.18Å; C106-A109 PolarHBondContact O-N 2.8Å | ||
| 107 | A | 95.8 | Very high | 85.8 | Confident | 95 Ų | 95 | 84.9 Ų | 84.9 | 79% | 0.785 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -35.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | K105 A109 | K105-A107 PolarHBondContact O-N 3.48Å; K105-A107 VanDerWaalsContact O-N 3.11Å; A107-A109 PolarHBondContact O-N 3.24Å |
| 108 | N | 95.1 | Very high | 83.5 | Confident | 115 Ų | 115 | 85.5 Ų | 85.5 | 62% | 0.615 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | 28 | 179.7 | -61.8 | -5.8 | 0 | 0 | 0 | 112.5 | C68 C106 | C68-N108 HydrophobicContact CB-CB 3.89Å; C106-N108 PolarHBondContact O-N 3.49Å; C106-N108 PolarHBondContact SG-N 3.13Å |
| 109 | A | 94.8 | Very high | 80.8 | Confident | 28 Ų | 28 | 87 Ų | 87 | 23% | 0.231 | 49% | 0.492 | C | S | . | . | P | Polyproline II helix | trans | -76.3 | 126 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R65 A66 C106 A107 | R65-A109 HydrophobicContact CB-CB 4.37Å; A66-A109 CarbonylContact O-C 3.56Å; A66-A109 WeakPolarHBondContact O-CA 3.48Å; C106-A109 HydrophobicContact CB-CB 4.22Å; C106-A109 WeakPolarHBondContact O-CB 3.18Å; C106-A109 PolarHBondContact O-N 2.8Å; A107-A109 PolarHBondContact O-N 3.24Å |
| 110 | R | 93.5 | Very high | 78.4 | Confident | 200 Ų | 200 | 94.3 Ų | 94.3 | 76% | 0.755 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 141.1 | 178.8 | -65.1 | -175.1 | 176.2 | -167.5 | -2.3 | 110.8 | R65 A66 | R65-R110 CarbonylContact C-O 3.6Å; R65-R110 WeakPolarHBondContact CA-O 3.36Å; R65-R110 WeakPolarHBondContact CB-O 3.43Å; A66-R110 PolarHBondContact N-O 3.28Å; A66-R110 PolarHBondContact O-N 2.84Å |
| 111 | P | 91.9 | Very high | 76 | Confident | 93 Ų | 93 | 101.9 Ų | 101.9 | 60% | 0.604 | 56% | 0.563 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -55.7 | 141.7 | 170 | -23.1 | 33.9 | 0 | 0 | 0 | 111.6 | N113 | P111-N113 PolarHBondContact O-N 2.72Å |
| 112 | L | 86.5 | Confident | 73.3 | Confident | 43 Ų | 43 | 106.5 Ų | 106.5 | 23% | 0.225 | 60% | 0.595 | C | S | . | * | trans | -89.2 | 101.1 | 171 | -80.9 | 166.3 | 0 | 0 | 0 | 109.5 | A64 A66 A99 H114 | A64-L112 HydrophobicContact CB-CB 4.16Å; A64-L112 HydrophobicContact CB-CD1 4.15Å; A64-L112 PolarHBondContact O-N 2.77Å; A66-L112 HydrophobicContact CB-CD2 4.07Å; A66-L112 HydrophobicContact CB-CG 4.18Å; A99-L112 VanDerWaalsContact CA-CD1 3.5Å; A99-L112 HydrophobicContact CB-CD1 3.73Å; L112-H114 VanDerWaalsContact C-N 3.32Å; L112-H114 PolarHBondContact O-N 3.33Å | ||
| 113 | N | 74.2 | Confident | 70.8 | Confident | 143 Ų | 143 | 107.5 Ų | 107.5 | 77% | 0.765 | 61% | 0.605 | S | S | * | * | trans | -67.9 | 98.3 | 154.3 | -74.8 | -3.7 | 0 | 0 | 0 | 107 | P111 | P111-N113 PolarHBondContact O-N 2.72Š| ||
| 114 | H | 63.9 | Low | 68.3 | Low | 93 Ų | 93 | 106.3 Ų | 106.3 | 43% | 0.431 | 62% | 0.616 | S | S | . | * | trans | -59.6 | 132 | 164.2 | 47.5 | -96.9 | 0 | 0 | 0 | 107.9 | A59 L112 S116 | A59-H114 PolarHBondContact O-CE1 3.4Å; A59-H114 PolarHBondContact O-ND1 3.49Å; A59-H114 VanDerWaalsContact O-ND1 3.14Å; L112-H114 VanDerWaalsContact C-N 3.32Å; L112-H114 PolarHBondContact O-N 3.33Å; H114-S116 PolarHBondContact O-N 2.78Å | ||
| 115 | P | 53.6 | Low | 65.7 | Low | 113 Ų | 113 | 111.1 Ų | 111.1 | 73% | 0.734 | 65% | 0.652 | S | S | * | * | trans | -64.5 | 107.1 | 167.6 | 26.9 | -31.5 | 0 | 0 | 0 | 107.3 | T117 | P115-T117 PolarHBondContact O-N 3.3Š| ||
| 116 | S | 49.2 | Very low | 63.4 | Low | 78 Ų | 78 | 108.5 Ų | 108.5 | 55% | 0.545 | 66% | 0.655 | S | S | . | * | trans | -54.7 | 129.2 | 166.4 | 49.4 | 0 | 0 | 0 | 0 | 107.9 | H114 S118 | H114-S116 PolarHBondContact O-N 2.78Å; S116-S118 VanDerWaalsContact C-N 3.29Å; S116-S118 PolarHBondContact O-N 3.09Å; S116-S118 PolarHBondContact O-OG 3.34Å | ||
| 117 | T | 49.9 | Very low | 60.9 | Low | 152 Ų | 152 | 113.4 Ų | 113.4 | 93% | 0.933 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -70.5 | 81.6 | -171.6 | 50 | 0 | 0 | 0 | 0 | 111.4 | P115 | P115-T117 PolarHBondContact O-N 3.3Š|
| 118 | S | 44.8 | Very low | 59 | Low | 100 Ų | 100 | 114.5 Ų | 114.5 | 70% | 0.699 | 69% | 0.691 | S | S | * | * | trans | -142.5 | 8 | -175.1 | 58.7 | 0 | 0 | 0 | 0 | 114.3 | S116 | S116-S118 VanDerWaalsContact C-N 3.29Å; S116-S118 PolarHBondContact O-N 3.09Å; S116-S118 PolarHBondContact O-OG 3.34Å | ||
| 119 | S | 37.2 | Very low | 56.5 | Low | 92 Ų | 92 | 117.6 Ų | 117.6 | 64% | 0.643 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -149 | 85.6 | -175.8 | 58.4 | 0 | 0 | 0 | 0 | 112.5 | ||
| 120 | H | 44.9 | Very low | 54.2 | Low | 170 Ų | 170 | 124 Ų | 124 | 79% | 0.787 | 73% | 0.732 | S | S | * | * | trans | -179.5 | 6.4 | 146.9 | -107.8 | -65.7 | 0 | 0 | 0 | 115.5 | S122 | H120-S122 PolarHBondContact O-N 3.1Š| ||
| 121 | L | 44.8 | Very low | 51.9 | Low | 191 Ų | 191 | 118.2 Ų | 118.2 | 100% | 1 | 73% | 0.727 | S | S | * | * | trans | -72.3 | 73.5 | 168.5 | -82.8 | 166.6 | 0 | 0 | 0 | 110.9 | ||||
| 122 | S | 39.5 | Very low | 49.6 | Very low | 99 Ų | 99 | 121.6 Ų | 121.6 | 69% | 0.692 | 74% | 0.739 | S | S | * | * | trans | -153.3 | 31.7 | -174.4 | 65.7 | 0 | 0 | 0 | 0 | 114.5 | H120 | H120-S122 PolarHBondContact O-N 3.1Š| ||
| 123 | S | 43.3 | Very low | 47.8 | Very low | 106 Ų | 106 | 125.1 Ų | 125.1 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -164.4 | 58.2 | 175.9 | 64.3 | 0 | 0 | 0 | 0 | 116.4 | ||
| 124 | S | 43.4 | Very low | 46.2 | Very low | 123 Ų | 123 | 124.7 Ų | 124.7 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | trans | -179.7 | 134.5 | 143.9 | 51 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 125 | S | 41 | Very low | 45.6 | Very low | 124 Ų | 124 | 126.1 Ų | 126.1 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | trans | -117.1 | 107.1 | 177.1 | 54.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 126 | S | 48.4 | Very low | 45 | Very low | 112 Ų | 112 | 128.8 Ų | 128.8 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | trans | -149.4 | 133.4 | 166.3 | 56.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 127 | S | 43.9 | Very low | 44.8 | Very low | 111 Ų | 111 | 127.4 Ų | 127.4 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | -60.1 | 141.1 | 179.4 | 50.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 128 | S | 54.5 | Low | 44.6 | Very low | 119 Ų | 119 | 126.5 Ų | 126.5 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | -168.8 | 163.1 | 105.2 | -94.8 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 129 | Q | 43.7 | Very low | 45 | Very low | 179 Ų | 179 | 126.6 Ų | 126.6 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | trans | -83.3 | 145.5 | 177.7 | -63.2 | 151.1 | 3.4 | 0 | 0 | 109.6 | ||||
| 130 | D | 46.9 | Very low | 45.9 | Very low | 163 Ų | 163 | 127.7 Ų | 127.7 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | 179.3 | 158.2 | 124.4 | -101.7 | -35.1 | 0 | 0 | 0 | 115.9 | |||||
| 131 | A | 44.8 | Very low | 46.6 | Very low | 78 Ų | 78 | 129.1 Ų | 129.1 | 65% | 0.645 | 79% | 0.792 | S | S | * | * | trans | 49.6 | 85.5 | 155.8 | 0 | 0 | 0 | 0 | 0 | 120.3 | V133 | A131-V133 HydrophobicContact CB-CG2 4.46Å; A131-V133 PolarHBondContact O-N 3.05Å; A131-V133 VanDerWaalsContact O-N 3.14Å | ||
| 132 | I | 43.6 | Very low | 47.1 | Very low | 165 Ų | 165 | 123.8 Ų | 123.8 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | trans | -73.7 | 97.3 | 156.3 | -58.1 | 176.3 | 0 | 0 | 0 | 109.3 | V134 | I132-V134 HydrophobicContact CG2-CG2 4.25Å; I132-V134 PolarHBondContact O-N 3.21Å | ||
| 133 | V | 48.9 | Very low | 47.7 | Very low | 116 Ų | 116 | 126 Ų | 126 | 70% | 0.703 | 77% | 0.773 | S | S | * | * | trans | -84.4 | 103.6 | 172.4 | -175.1 | 0 | 0 | 0 | 0 | 109.9 | A131 V135 | A131-V133 HydrophobicContact CB-CG2 4.46Å; A131-V133 PolarHBondContact O-N 3.05Å; A131-V133 VanDerWaalsContact O-N 3.14Å; V133-V135 HydrophobicContact CG1-CG2 4.03Å; V133-V135 PolarHBondContact O-N 2.92Å | ||
| 134 | V | 41.3 | Very low | 48.3 | Very low | 135 Ų | 135 | 122 Ų | 122 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | trans | -73.6 | 109 | 175.6 | -179.7 | 0 | 0 | 0 | 0 | 109.8 | I132 | I132-V134 HydrophobicContact CG2-CG2 4.25Å; I132-V134 PolarHBondContact O-N 3.21Å | ||
| 135 | V | 50.5 | Low | 49.2 | Very low | 122 Ų | 122 | 121.7 Ų | 121.7 | 74% | 0.739 | 74% | 0.742 | S | S | * | * | trans | -108.3 | 123.9 | 172.8 | -174.1 | 0 | 0 | 0 | 0 | 110 | V133 G137 | V133-V135 HydrophobicContact CG1-CG2 4.03Å; V133-V135 PolarHBondContact O-N 2.92Å; V135-G137 PolarHBondContact O-N 3.02Å | ||
| 136 | D | 41.2 | Very low | 50.5 | Low | 170 Ų | 170 | 118.4 Ų | 118.4 | 91% | 0.909 | 72% | 0.719 | S | S | * | * | trans | -61.4 | 124 | -179.6 | -115.9 | -48.4 | 0 | 0 | 0 | 112.5 | ||||
| 137 | G | 44.2 | Very low | 51.5 | Low | 49 Ų | 49 | 118.9 Ų | 118.9 | 51% | 0.505 | 72% | 0.717 | S | S | . | * | S | Bend | trans | 150.2 | 77.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | V135 | V135-G137 PolarHBondContact O-N 3.02Š|
| 138 | C | 47 | Very low | 52.8 | Low | 132 Ų | 132 | 120 Ų | 120 | 89% | 0.892 | 71% | 0.713 | S | S | * | * | trans | 65.5 | 99.9 | 167 | -57 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 139 | C | 52.6 | Low | 53.3 | Low | 103 Ų | 103 | 118.3 Ų | 118.3 | 70% | 0.696 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 133.5 | 173.8 | -49.3 | 0 | 0 | 0 | 0 | 112 | ||
| 140 | P | 55.7 | Low | 54.5 | Low | 115 Ų | 115 | 115.3 Ų | 115.3 | 75% | 0.747 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 144.7 | 157.8 | 30.4 | -33.2 | 0 | 0 | 0 | 108.5 | P142 | P140-P142 VanDerWaalsContact O-CD 3.27Å; P140-P142 WeakPolarHBondContact O-CD 3.4Å |
| 141 | K | 59.3 | Low | 56 | Low | 200 Ų | 200 | 112.8 Ų | 112.8 | 87% | 0.87 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 119.3 | 176.6 | -67.9 | -172.8 | 176.2 | -169.6 | 0 | 109.5 | ||
| 142 | P | 55.7 | Low | 57.7 | Low | 79 Ų | 79 | 112.5 Ų | 112.5 | 51% | 0.513 | 65% | 0.649 | S | S | . | * | P | Polyproline II helix | trans | -62.7 | 149.3 | 158.8 | 30.2 | -33.6 | 0 | 0 | 0 | 108.4 | P140 P144 | P140-P142 VanDerWaalsContact O-CD 3.27Å; P140-P142 WeakPolarHBondContact O-CD 3.4Å; P142-P144 VanDerWaalsContact O-CD 3.3Å; P142-P144 WeakPolarHBondContact O-CD 3.34Å |
| 143 | N | 52.5 | Low | 59.1 | Low | 146 Ų | 146 | 106.3 Ų | 106.3 | 78% | 0.781 | 62% | 0.62 | S | S | * | * | trans | -98.5 | 96.7 | 174.6 | -170 | 25 | 0 | 0 | 0 | 107.5 | S145 | N143-S145 PolarHBondContact O-N 2.96Š| ||
| 144 | P | 55.1 | Low | 60.6 | Low | 21 Ų | 21 | 105.4 Ų | 105.4 | 14% | 0.136 | 61% | 0.611 | C | S | . | * | trans | -79.2 | 116 | -161.8 | -9.6 | 27.4 | 0 | 0 | 0 | 109.9 | P142 E149 K150 | P142-P144 VanDerWaalsContact O-CD 3.3Å; P142-P144 WeakPolarHBondContact O-CD 3.34Å; P144-E149 WeakPolarHBondContact CA-OE2 3.15Å; P144-E149 HydrophobicContact CB-CB 3.88Å; P144-E149 HydrophobicContact CB-CG 3.8Å; P144-K150 HydrophobicContact CB-CG 3.73Å; P144-K150 HydrophobicContact CG-CG 4.1Å; P144-K150 WeakPolarHBondContact O-CE 3.42Å | ||
| 145 | S | 62.2 | Low | 62.6 | Low | 117 Ų | 117 | 102 Ų | 102 | 82% | 0.818 | 59% | 0.589 | S | S | * | * | trans | -83.1 | -19.5 | -174.4 | -67.1 | 0 | 0 | 0 | 0 | 112.4 | N143 E149 | N143-S145 PolarHBondContact O-N 2.96Å; S145-E149 PolarHBondContact N-OE2 3.12Å; S145-E149 VanDerWaalsContact N-OE2 3.13Å | ||
| 146 | S | 68.2 | Low | 64.2 | Low | 54 Ų | 54 | 102.5 Ų | 102.5 | 38% | 0.378 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -106.7 | 155.6 | 176.6 | 76.2 | 0 | 0 | 0 | 0 | 112.8 | I148 E149 K150 | S146-I148 VanDerWaalsContact C-N 3.33Å; S146-I148 PolarHBondContact O-N 2.96Å; S146-E149 PolarHBondContact O-N 3.04Å; S146-E149 WeakPolarHBondContact OG-CB 3.46Å; S146-E149 PolarHBondContact OG-N 3.29Å; S146-K150 PolarHBondContact O-N 3.05Å |
| 147 | V | 69.4 | Low | 66.1 | Low | 122 Ų | 122 | 98 Ų | 98 | 74% | 0.739 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.8 | -38.3 | 177.7 | -179.8 | 0 | 0 | 0 | 0 | 111.4 | E149 K150 Q151 | V147-E149 VanDerWaalsContact C-N 3.34Å; V147-E149 PolarHBondContact O-N 2.89Å; V147-K150 PolarHBondContact O-N 3.03Å; V147-Q151 PolarHBondContact O-N 2.93Å; V147-Q151 VanDerWaalsContact O-N 3.07Å |
| 148 | I | 71.1 | Confident | 68 | Low | 134 Ų | 134 | 102.6 Ų | 102.6 | 69% | 0.687 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.5 | -42.5 | 179.3 | -58.5 | 173 | 0 | 0 | 0 | 110.7 | S146 Q151 T152 | S146-I148 VanDerWaalsContact C-N 3.33Å; S146-I148 PolarHBondContact O-N 2.96Å; I148-Q151 WeakPolarHBondContact O-CB 3.42Å; I148-Q151 PolarHBondContact O-N 3.04Å; I148-Q151 VanDerWaalsContact O-N 3.15Å; I148-T152 PolarHBondContact O-N 3.17Å; I148-T152 PolarHBondContact O-OG1 3.4Å |
| 149 | E | 66.6 | Low | 69.9 | Low | 85 Ų | 85 | 101 Ų | 101 | 40% | 0.397 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -73 | -26.8 | -179.7 | -162.2 | -173.9 | -158.6 | 0 | 0 | 112.7 | P144 S145 S146 V147 T152 C153 | P144-E149 WeakPolarHBondContact CA-OE2 3.15Å; P144-E149 HydrophobicContact CB-CB 3.88Å; P144-E149 HydrophobicContact CB-CG 3.8Å; S145-E149 PolarHBondContact N-OE2 3.12Å; S145-E149 VanDerWaalsContact N-OE2 3.13Å; S146-E149 PolarHBondContact O-N 3.04Å; S146-E149 WeakPolarHBondContact OG-CB 3.46Å; S146-E149 PolarHBondContact OG-N 3.29Å; V147-E149 VanDerWaalsContact C-N 3.34Å; V147-E149 PolarHBondContact O-N 2.89Å; E149-T152 PolarHBondContact O-OG1 2.72Å; E149-C153 VanDerWaalsContact O-CB 3.24Å; E149-C153 WeakPolarHBondContact O-CB 3.45Å; E149-C153 PolarHBondContact O-N 3.26Å |
| 150 | K | 68.2 | Low | 71.4 | Confident | 115 Ų | 115 | 101.8 Ų | 101.8 | 50% | 0.5 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.8 | -39.2 | 166.3 | -69 | -177.7 | -177.4 | 169.9 | 0 | 111.6 | P144 S146 V147 N154 | P144-K150 HydrophobicContact CB-CG 3.73Å; P144-K150 HydrophobicContact CG-CG 4.1Å; P144-K150 WeakPolarHBondContact O-CE 3.42Å; S146-K150 PolarHBondContact O-N 3.05Å; V147-K150 PolarHBondContact O-N 3.03Å; K150-N154 PolarHBondContact O-N 2.82Å; K150-N154 PolarHBondContact O-ND2 2.89Å |
| 151 | Q | 77.4 | Confident | 72.8 | Confident | 110 Ų | 110 | 102.2 Ų | 102.2 | 51% | 0.514 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.6 | -54 | 179.2 | -163.3 | 68 | 16.5 | 0 | 0 | 110.8 | V147 I148 C153 N154 D155 | V147-Q151 PolarHBondContact O-N 2.93Å; V147-Q151 VanDerWaalsContact O-N 3.07Å; I148-Q151 WeakPolarHBondContact O-CB 3.42Å; I148-Q151 PolarHBondContact O-N 3.04Å; I148-Q151 VanDerWaalsContact O-N 3.15Å; Q151-C153 VanDerWaalsContact C-N 3.28Å; Q151-C153 PolarHBondContact O-N 3.29Å; Q151-N154 WeakPolarHBondContact O-CB 3.18Å; Q151-N154 PolarHBondContact O-N 2.78Å; Q151-D155 PolarHBondContact O-N 3.02Å |
| 152 | T | 80.4 | Confident | 74.1 | Confident | 73 Ų | 73 | 96.8 Ų | 96.8 | 45% | 0.448 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.3 | -33.5 | 178.8 | 56.1 | 0 | 0 | 0 | 0 | 112.9 | I148 E149 D155 Q156 | I148-T152 PolarHBondContact O-N 3.17Å; I148-T152 PolarHBondContact O-OG1 3.4Å; E149-T152 PolarHBondContact O-OG1 2.72Å; T152-D155 PolarHBondContact O-N 3.12Å; T152-Q156 WeakPolarHBondContact O-CB 3.3Å; T152-Q156 WeakPolarHBondContact O-CG 3.15Å; T152-Q156 PolarHBondContact O-N 2.85Å |
| 153 | C | 74.7 | Confident | 75.5 | Confident | 34 Ų | 34 | 96.7 Ų | 96.7 | 23% | 0.23 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -64 | -44.2 | 172.3 | -172.1 | 0 | 0 | 0 | 0 | 112.2 | E149 Q151 Q156 I157 | E149-C153 VanDerWaalsContact O-CB 3.24Å; E149-C153 WeakPolarHBondContact O-CB 3.45Å; E149-C153 PolarHBondContact O-N 3.26Å; Q151-C153 VanDerWaalsContact C-N 3.28Å; Q151-C153 PolarHBondContact O-N 3.29Å; C153-Q156 PolarHBondContact O-N 2.96Å; C153-I157 WeakPolarHBondContact O-CB 3.15Å; C153-I157 WeakPolarHBondContact O-CD1 3.2Å; C153-I157 VanDerWaalsContact O-CG1 3.24Å; C153-I157 WeakPolarHBondContact O-CG1 3.4Å; C153-I157 PolarHBondContact O-N 3.19Å |
| 154 | N | 80.5 | Confident | 76.9 | Confident | 97 Ų | 97 | 93.9 Ų | 93.9 | 52% | 0.519 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 175.6 | -76 | -36.5 | 0 | 0 | 0 | 112.1 | K150 Q151 I157 R158 | K150-N154 PolarHBondContact O-N 2.82Å; K150-N154 PolarHBondContact O-ND2 2.89Å; Q151-N154 WeakPolarHBondContact O-CB 3.18Å; Q151-N154 PolarHBondContact O-N 2.78Å; N154-I157 WeakPolarHBondContact O-CB 3.22Å; N154-I157 PolarHBondContact O-N 3Å; N154-R158 PolarHBondContact O-N 3.05Å |
| 155 | D | 82.8 | Confident | 78.2 | Confident | 65 Ų | 65 | 95.3 Ų | 95.3 | 35% | 0.348 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.8 | -40.9 | 178.4 | -68.6 | -41.6 | 0 | 0 | 0 | 112 | Q151 T152 I157 R158 L159 | Q151-D155 PolarHBondContact O-N 3.02Å; T152-D155 PolarHBondContact O-N 3.12Å; D155-I157 VanDerWaalsContact C-N 3.34Å; D155-I157 PolarHBondContact O-N 3.19Å; D155-R158 WeakPolarHBondContact O-CB 3.43Å; D155-R158 PolarHBondContact O-N 3.5Å; D155-L159 PolarHBondContact O-N 3.01Å |
| 156 | Q | 84.1 | Confident | 79.2 | Confident | 132 Ų | 132 | 92.9 Ų | 92.9 | 62% | 0.617 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.9 | -39.7 | 171.1 | -76 | -174.8 | 6.7 | 0 | 0 | 112.4 | T152 C153 R158 L159 Q160 | T152-Q156 WeakPolarHBondContact O-CB 3.3Å; T152-Q156 WeakPolarHBondContact O-CG 3.15Å; T152-Q156 PolarHBondContact O-N 2.85Å; C153-Q156 PolarHBondContact O-N 2.96Å; Q156-R158 VanDerWaalsContact C-N 3.31Å; Q156-R158 PolarHBondContact O-N 3.44Å; Q156-L159 PolarHBondContact O-N 3.22Å; Q156-Q160 PolarHBondContact O-N 2.81Å |
| 157 | I | 81 | Confident | 79.7 | Confident | 75 Ų | 75 | 99.4 Ų | 99.4 | 39% | 0.385 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.4 | -38.5 | 174.4 | -73.4 | 165.3 | 0 | 0 | 0 | 110.7 | C153 N154 D155 Q160 Q161 | C153-I157 WeakPolarHBondContact O-CB 3.15Å; C153-I157 WeakPolarHBondContact O-CD1 3.2Å; C153-I157 VanDerWaalsContact O-CG1 3.24Å; C153-I157 WeakPolarHBondContact O-CG1 3.4Å; C153-I157 PolarHBondContact O-N 3.19Å; N154-I157 WeakPolarHBondContact O-CB 3.22Å; N154-I157 PolarHBondContact O-N 3Å; D155-I157 VanDerWaalsContact C-N 3.34Å; D155-I157 PolarHBondContact O-N 3.19Å; I157-Q160 PolarHBondContact O-N 3.49Å; I157-Q161 VanDerWaalsContact CG2-NE2 3.3Å; I157-Q161 WeakPolarHBondContact O-CG 3.35Å; I157-Q161 PolarHBondContact O-N 3.13Å |
| 158 | R | 83.2 | Confident | 80.1 | Confident | 145 Ų | 145 | 100.8 Ų | 100.8 | 55% | 0.547 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66 | -47.2 | 176.4 | -141.6 | -173.1 | 84.4 | -154.6 | 3.6 | 111.4 | N154 D155 Q156 Q160 Q161 E162 | N154-R158 PolarHBondContact O-N 3.05Å; D155-R158 WeakPolarHBondContact O-CB 3.43Å; D155-R158 PolarHBondContact O-N 3.5Å; Q156-R158 VanDerWaalsContact C-N 3.31Å; Q156-R158 PolarHBondContact O-N 3.44Å; R158-Q160 VanDerWaalsContact C-N 3.33Å; R158-Q160 PolarHBondContact O-N 2.8Å; R158-Q161 WeakPolarHBondContact O-CB 3.4Å; R158-Q161 PolarHBondContact O-N 3.2Å; R158-E162 IonicContact CZ-OE1 3.13Å; R158-E162 IonicContact NE-OE1 2.75Å; R158-E162 PolarHBondContact NE-OE1 3.33Å; R158-E162 IonicContact NH2-OE1 2.72Å; R158-E162 PolarHBondContact NH2-OE1 3.06Å; R158-E162 WeakPolarHBondContact O-CG 3.43Å; R158-E162 PolarHBondContact O-N 3.2Å |
| 159 | L | 87.3 | Confident | 80.4 | Confident | 100 Ų | 100 | 103.9 Ų | 103.9 | 52% | 0.524 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.8 | -38.2 | 175.1 | -78.3 | 159.8 | 0 | 0 | 0 | 112.8 | D155 Q156 T163 | D155-L159 PolarHBondContact O-N 3.01Å; Q156-L159 PolarHBondContact O-N 3.22Å; L159-T163 WeakPolarHBondContact O-CB 3.42Å; L159-T163 WeakPolarHBondContact O-CG2 3.39Å; L159-T163 PolarHBondContact O-N 2.9Å; L159-T163 PolarHBondContact O-OG1 3.09Å |
| 160 | Q | 83.8 | Confident | 80.9 | Confident | 119 Ų | 119 | 106 Ų | 106 | 56% | 0.556 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.8 | -38.6 | 171.6 | -78.6 | -165.6 | 1.9 | 0 | 0 | 112.7 | Q156 I157 R158 T163 C164 | Q156-Q160 PolarHBondContact O-N 2.81Å; I157-Q160 PolarHBondContact O-N 3.49Å; R158-Q160 VanDerWaalsContact C-N 3.33Å; R158-Q160 PolarHBondContact O-N 2.8Å; Q160-T163 WeakPolarHBondContact CA-OG1 3.3Å; Q160-T163 PolarHBondContact O-OG1 3.39Å; Q160-C164 VanDerWaalsContact O-CB 3.28Å; Q160-C164 WeakPolarHBondContact O-CB 3.45Å; Q160-C164 PolarHBondContact O-N 3.49Å; Q160-C164 PolarHBondContact O-SG 3.04Å; Q160-C164 VanDerWaalsContact O-SG 3.35Å |
| 161 | Q | 85 | Confident | 81.2 | Confident | 124 Ų | 124 | 103.8 Ų | 103.8 | 58% | 0.579 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.1 | -43.8 | 176.1 | -71.8 | 177.5 | 46.6 | 0 | 0 | 111.9 | I157 R158 C164 A165 | I157-Q161 VanDerWaalsContact CG2-NE2 3.3Å; I157-Q161 WeakPolarHBondContact O-CG 3.35Å; I157-Q161 PolarHBondContact O-N 3.13Å; R158-Q161 WeakPolarHBondContact O-CB 3.4Å; R158-Q161 PolarHBondContact O-N 3.2Å; Q161-C164 PolarHBondContact O-N 3.37Å; Q161-A165 WeakPolarHBondContact O-CB 3.25Å; Q161-A165 PolarHBondContact O-N 2.87Å |
| 162 | E | 87.5 | Confident | 80.8 | Confident | 85 Ų | 85 | 107.5 Ų | 107.5 | 40% | 0.397 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.4 | -46.8 | 177.1 | -71 | 170.6 | -162 | 0 | 0 | 111.4 | R158 A165 S166 | R158-E162 IonicContact CZ-OE1 3.13Å; R158-E162 IonicContact NE-OE1 2.75Å; R158-E162 PolarHBondContact NE-OE1 3.33Å; R158-E162 IonicContact NH2-OE1 2.72Å; R158-E162 PolarHBondContact NH2-OE1 3.06Å; R158-E162 WeakPolarHBondContact O-CG 3.43Å; R158-E162 PolarHBondContact O-N 3.2Å; E162-A165 PolarHBondContact O-N 3.14Å; E162-S166 PolarHBondContact O-N 3.27Å; E162-S166 PolarHBondContact O-OG 2.85Å |
| 163 | T | 85.5 | Confident | 80.4 | Confident | 78 Ų | 78 | 106.9 Ų | 106.9 | 48% | 0.479 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.9 | -38.7 | 177 | 51.2 | 0 | 0 | 0 | 0 | 113 | L159 Q160 S166 R167 | L159-T163 WeakPolarHBondContact O-CB 3.42Å; L159-T163 WeakPolarHBondContact O-CG2 3.39Å; L159-T163 PolarHBondContact O-N 2.9Å; L159-T163 PolarHBondContact O-OG1 3.09Å; Q160-T163 WeakPolarHBondContact CA-OG1 3.3Å; Q160-T163 PolarHBondContact O-OG1 3.39Å; T163-S166 PolarHBondContact O-N 3.25Å; T163-R167 PolarHBondContact O-N 3.46Å |
| 164 | C | 81.2 | Confident | 80.1 | Confident | 87 Ų | 87 | 108.2 Ų | 108.2 | 59% | 0.588 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.1 | -39.1 | 171.7 | -78.2 | 0 | 0 | 0 | 0 | 112.5 | Q160 Q161 K168 | Q160-C164 VanDerWaalsContact O-CB 3.28Å; Q160-C164 WeakPolarHBondContact O-CB 3.45Å; Q160-C164 PolarHBondContact O-N 3.49Å; Q160-C164 PolarHBondContact O-SG 3.04Å; Q160-C164 VanDerWaalsContact O-SG 3.35Å; Q161-C164 PolarHBondContact O-N 3.37Å; C164-K168 WeakPolarHBondContact O-CB 3.49Å; C164-K168 PolarHBondContact O-N 3.05Å |
| 165 | A | 81.6 | Confident | 79.2 | Confident | 51 Ų | 51 | 105.8 Ų | 105.8 | 42% | 0.421 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64 | -43.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q161 E162 K168 R169 | Q161-A165 WeakPolarHBondContact O-CB 3.25Å; Q161-A165 PolarHBondContact O-N 2.87Å; E162-A165 PolarHBondContact O-N 3.14Å; A165-K168 CarbonylContact O-C 3.51Å; A165-K168 PolarHBondContact O-N 2.92Å; A165-R169 PolarHBondContact O-N 3.4Å |
| 166 | S | 83 | Confident | 78.2 | Confident | 65 Ų | 65 | 108.5 Ų | 108.5 | 46% | 0.455 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.4 | -46.1 | 177.1 | -69.3 | 0 | 0 | 0 | 0 | 112.7 | E162 T163 K168 R169 Q170 | E162-S166 PolarHBondContact O-N 3.27Å; E162-S166 PolarHBondContact O-OG 2.85Å; T163-S166 PolarHBondContact O-N 3.25Å; S166-K168 PolarHBondContact O-N 3.35Å; S166-R169 PolarHBondContact O-N 2.97Å; S166-Q170 PolarHBondContact O-N 3.09Å |
| 167 | R | 79.2 | Confident | 77.2 | Confident | 192 Ų | 192 | 107 Ų | 107 | 73% | 0.725 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -59.2 | -35.5 | 172.3 | -71.1 | -172.4 | -173.3 | -167.9 | 5.2 | 111.9 | T163 S171 | T163-R167 PolarHBondContact O-N 3.46Å; R167-S171 WeakPolarHBondContact O-CB 3.42Å; R167-S171 PolarHBondContact O-N 3.35Å; R167-S171 PolarHBondContact O-OG 3.42Å |
| 168 | K | 79 | Confident | 76.3 | Confident | 151 Ų | 151 | 107 Ų | 107 | 66% | 0.657 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -74.7 | -20.2 | 175.2 | -161.3 | 172.9 | -176.1 | -178.5 | 0 | 114.1 | C164 A165 S166 S171 R172 | C164-K168 WeakPolarHBondContact O-CB 3.49Å; C164-K168 PolarHBondContact O-N 3.05Å; A165-K168 CarbonylContact O-C 3.51Å; A165-K168 PolarHBondContact O-N 2.92Å; S166-K168 PolarHBondContact O-N 3.35Å; K168-S171 WeakPolarHBondContact CA-OG 3.18Å; K168-R172 WeakPolarHBondContact O-CG 3.01Å |
| 169 | R | 77.5 | Confident | 75.2 | Confident | 198 Ų | 198 | 104.9 Ų | 104.9 | 75% | 0.747 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -78 | -50.2 | 168.1 | -72.4 | 179.8 | 178.7 | -167 | -0.2 | 110.6 | A165 S166 S171 R172 S173 | A165-R169 PolarHBondContact O-N 3.4Å; S166-R169 PolarHBondContact O-N 2.97Å; R169-S171 VanDerWaalsContact C-N 3.33Å; R169-S171 PolarHBondContact O-N 3.16Å; R169-R172 WeakPolarHBondContact O-CA 3.32Å; R169-R172 PolarHBondContact O-N 2.77Å; R169-S173 PolarHBondContact O-N 2.95Å |
| 170 | Q | 76.1 | Confident | 73.8 | Confident | 131 Ų | 131 | 103.1 Ų | 103.1 | 61% | 0.612 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -57.5 | -41.1 | 178.5 | -72.7 | 174.7 | -31.9 | 0 | 0 | 113.1 | S166 R172 S173 S174 | S166-Q170 PolarHBondContact O-N 3.09Å; Q170-R172 VanDerWaalsContact C-N 3.26Å; Q170-R172 PolarHBondContact O-N 3.06Å; Q170-S173 PolarHBondContact O-N 2.79Å; Q170-S173 PolarHBondContact O-OG 2.96Å; Q170-S174 PolarHBondContact O-N 3.07Å; Q170-S174 VanDerWaalsContact O-N 3.09Å; Q170-S174 PolarHBondContact O-OG 3.21Å |
| 171 | S | 74 | Confident | 72.8 | Confident | 68 Ų | 68 | 101.8 Ų | 101.8 | 48% | 0.476 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -72.4 | -13.6 | 175.5 | 48.2 | 0 | 0 | 0 | 0 | 114.5 | R167 K168 R169 A175 | R167-S171 WeakPolarHBondContact O-CB 3.42Å; R167-S171 PolarHBondContact O-N 3.35Å; R167-S171 PolarHBondContact O-OG 3.42Å; K168-S171 WeakPolarHBondContact CA-OG 3.18Å; R169-S171 VanDerWaalsContact C-N 3.33Å; R169-S171 PolarHBondContact O-N 3.16Å; S171-A175 WeakPolarHBondContact O-CB 3.48Å |
| 172 | R | 70.3 | Confident | 71.5 | Confident | 188 Ų | 188 | 101.8 Ų | 101.8 | 71% | 0.709 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -89.2 | -33.8 | 169.9 | -71.2 | -177.3 | 89 | -174.1 | 6.2 | 112 | K168 R169 Q170 L176 | K168-R172 WeakPolarHBondContact O-CG 3.01Å; R169-R172 WeakPolarHBondContact O-CA 3.32Å; R169-R172 PolarHBondContact O-N 2.77Å; Q170-R172 VanDerWaalsContact C-N 3.26Å; Q170-R172 PolarHBondContact O-N 3.06Å; R172-L176 WeakPolarHBondContact O-CG 3.48Å; R172-L176 PolarHBondContact O-N 3.14Å |
| 173 | S | 70.8 | Confident | 70.1 | Confident | 60 Ų | 60 | 103.1 Ų | 103.1 | 42% | 0.42 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68 | -50.4 | 174.1 | 54.6 | 0 | 0 | 0 | 0 | 111.6 | R169 Q170 A175 L176 D177 | R169-S173 PolarHBondContact O-N 2.95Å; Q170-S173 PolarHBondContact O-N 2.79Å; Q170-S173 PolarHBondContact O-OG 2.96Å; S173-A175 PolarHBondContact O-N 3.4Å; S173-A175 VanDerWaalsContact O-N 3.16Å; S173-L176 WeakPolarHBondContact O-CA 3.48Å; S173-L176 WeakPolarHBondContact O-CB 3.48Å; S173-L176 PolarHBondContact O-N 3.46Å; S173-D177 PolarHBondContact O-N 2.85Å; S173-D177 VanDerWaalsContact O-OD2 3.13Å |
| 174 | S | 68.1 | Low | 68.9 | Low | 62 Ų | 62 | 102.9 Ų | 102.9 | 43% | 0.434 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.9 | -27.3 | 179.5 | 60.2 | 0 | 0 | 0 | 0 | 113.6 | Q170 S178 | Q170-S174 PolarHBondContact O-N 3.07Å; Q170-S174 VanDerWaalsContact O-N 3.09Å; Q170-S174 PolarHBondContact O-OG 3.21Å; S174-S178 VanDerWaalsContact O-CB 3.28Å; S174-S178 WeakPolarHBondContact O-CB 3.46Å; S174-S178 PolarHBondContact O-N 3.12Å; S174-S178 PolarHBondContact O-OG 2.9Å |
| 175 | A | 62.5 | Low | 68 | Low | 45 Ų | 45 | 106 Ų | 106 | 37% | 0.372 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -72.2 | -25.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S171 S173 N179 | S171-A175 WeakPolarHBondContact O-CB 3.48Å; S173-A175 PolarHBondContact O-N 3.4Å; S173-A175 VanDerWaalsContact O-N 3.16Å; A175-N179 PolarHBondContact O-N 3.13Å; A175-N179 PolarHBondContact O-ND2 3.38Å |
| 176 | L | 61.9 | Low | 67.1 | Low | 122 Ų | 122 | 106 Ų | 106 | 64% | 0.639 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -78.5 | -44.7 | 172.2 | -68.4 | 167.1 | 0 | 0 | 0 | 110.7 | R172 S173 S178 N179 A180 | R172-L176 WeakPolarHBondContact O-CG 3.48Å; R172-L176 PolarHBondContact O-N 3.14Å; S173-L176 WeakPolarHBondContact O-CA 3.48Å; S173-L176 WeakPolarHBondContact O-CB 3.48Å; S173-L176 PolarHBondContact O-N 3.46Å; L176-S178 VanDerWaalsContact C-N 3.3Å; L176-S178 PolarHBondContact O-N 3.45Å; L176-N179 PolarHBondContact O-N 2.73Å; L176-N179 VanDerWaalsContact O-N 3.11Å; L176-A180 PolarHBondContact O-N 3.34Å |
| 177 | D | 63.6 | Low | 66.1 | Low | 102 Ų | 102 | 110.1 Ų | 110.1 | 55% | 0.545 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.1 | -39.2 | 177.7 | -58.3 | -43.4 | 0 | 0 | 0 | 112 | S173 N179 A180 T181 | S173-D177 PolarHBondContact O-N 2.85Å; S173-D177 VanDerWaalsContact O-OD2 3.13Å; D177-N179 VanDerWaalsContact C-N 3.34Å; D177-N179 PolarHBondContact O-N 2.98Å; D177-A180 PolarHBondContact O-N 3.23Å; D177-T181 PolarHBondContact O-N 2.9Å; D177-T181 PolarHBondContact O-OG1 3.39Å |
| 178 | S | 60.7 | Low | 65.3 | Low | 74 Ų | 74 | 109.2 Ų | 109.2 | 52% | 0.517 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.6 | -35.8 | 175.7 | -59.3 | 0 | 0 | 0 | 0 | 112.5 | S174 L176 T181 H182 | S174-S178 VanDerWaalsContact O-CB 3.28Å; S174-S178 WeakPolarHBondContact O-CB 3.46Å; S174-S178 PolarHBondContact O-N 3.12Å; S174-S178 PolarHBondContact O-OG 2.9Å; L176-S178 VanDerWaalsContact C-N 3.3Å; L176-S178 PolarHBondContact O-N 3.45Å; S178-T181 PolarHBondContact O-OG1 3.3Å; S178-T181 VanDerWaalsContact O-OG1 3.13Å; S178-H182 WeakPolarHBondContact O-CB 3.24Å; S178-H182 PolarHBondContact O-N 3.05Å; S178-H182 VanDerWaalsContact O-N 3.14Å |
| 179 | N | 60.6 | Low | 64.4 | Low | 100 Ų | 100 | 108.9 Ų | 108.9 | 54% | 0.535 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -77 | -36.9 | 176.6 | -78.3 | -44.9 | 0 | 0 | 0 | 111.9 | A175 L176 D177 H182 L183 | A175-N179 PolarHBondContact O-N 3.13Å; A175-N179 PolarHBondContact O-ND2 3.38Å; L176-N179 PolarHBondContact O-N 2.73Å; L176-N179 VanDerWaalsContact O-N 3.11Å; D177-N179 VanDerWaalsContact C-N 3.34Å; D177-N179 PolarHBondContact O-N 2.98Å; N179-H182 PolarHBondContact O-N 2.96Å; N179-L183 PolarHBondContact O-N 2.92Å |
| 180 | A | 58.9 | Low | 63.6 | Low | 64 Ų | 64 | 105.9 Ų | 105.9 | 53% | 0.529 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L176 D177 S184 | L176-A180 PolarHBondContact O-N 3.34Å; D177-A180 PolarHBondContact O-N 3.23Å; A180-S184 PolarHBondContact O-N 3.06Å; A180-S184 PolarHBondContact O-OG 3.2Å |
| 181 | T | 60.9 | Low | 62.9 | Low | 90 Ų | 90 | 102.7 Ų | 102.7 | 55% | 0.552 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -70.7 | -35.6 | 176 | 45.9 | 0 | 0 | 0 | 0 | 113 | D177 S178 S184 Y185 | D177-T181 PolarHBondContact O-N 2.9Å; D177-T181 PolarHBondContact O-OG1 3.39Å; S178-T181 PolarHBondContact O-OG1 3.3Å; S178-T181 VanDerWaalsContact O-OG1 3.13Å; T181-S184 PolarHBondContact O-OG 3.25Å; T181-S184 VanDerWaalsContact O-OG 3.06Å; T181-Y185 PolarHBondContact O-N 2.75Å |
| 182 | H | 57.7 | Low | 62.2 | Low | 125 Ų | 125 | 104.2 Ų | 104.2 | 58% | 0.579 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -69 | -37 | 175 | -162.2 | -82.2 | 0 | 0 | 0 | 112.7 | S178 N179 S186 | S178-H182 WeakPolarHBondContact O-CB 3.24Å; S178-H182 PolarHBondContact O-N 3.05Å; S178-H182 VanDerWaalsContact O-N 3.14Å; N179-H182 PolarHBondContact O-N 2.96Å; H182-S186 PolarHBondContact ND1-OG 2.92Å; H182-S186 VanDerWaalsContact O-CB 3.31Å; H182-S186 WeakPolarHBondContact O-CB 3.47Å; H182-S186 PolarHBondContact O-N 3.18Å; H182-S186 PolarHBondContact O-OG 3.49Å |
| 183 | L | 59.1 | Low | 61.7 | Low | 112 Ų | 112 | 101.9 Ų | 101.9 | 59% | 0.586 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.8 | -40.9 | 176.8 | -106.8 | 72.2 | 0 | 0 | 0 | 112.7 | N179 S186 K187 | N179-L183 PolarHBondContact O-N 2.92Å; L183-S186 PolarHBondContact O-N 3.48Å; L183-K187 PolarHBondContact O-N 3.47Å |
| 184 | S | 60.8 | Low | 61 | Low | 74 Ų | 74 | 104.5 Ų | 104.5 | 52% | 0.517 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.5 | -40.8 | 178.7 | 60.9 | 0 | 0 | 0 | 0 | 112 | A180 T181 R188 | A180-S184 PolarHBondContact O-N 3.06Å; A180-S184 PolarHBondContact O-OG 3.2Å; T181-S184 PolarHBondContact O-OG 3.25Å; T181-S184 VanDerWaalsContact O-OG 3.06Å; S184-R188 PolarHBondContact O-N 3.44Å; S184-R188 VanDerWaalsContact O-N 3.14Å |
| 185 | Y | 60.7 | Low | 60.6 | Low | 153 Ų | 153 | 108.1 Ų | 108.1 | 60% | 0.6 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65 | -40.1 | 174.9 | -160.5 | -92.1 | 0 | 0 | 0 | 112.3 | T181 R188 R189 | T181-Y185 PolarHBondContact O-N 2.75Å; Y185-R188 PolarHBondContact O-N 2.97Å; Y185-R189 HydrophobicContact CE1-CG 4.4Å; Y185-R189 PolarHBondContact O-N 3.06Å |
| 186 | S | 62.8 | Low | 60.4 | Low | 49 Ų | 49 | 114.1 Ų | 114.1 | 34% | 0.343 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.5 | -44.3 | 178.3 | -59.7 | 0 | 0 | 0 | 0 | 112.4 | H182 L183 R188 Q190 | H182-S186 PolarHBondContact ND1-OG 2.92Å; H182-S186 VanDerWaalsContact O-CB 3.31Å; H182-S186 WeakPolarHBondContact O-CB 3.47Å; H182-S186 PolarHBondContact O-N 3.18Å; H182-S186 PolarHBondContact O-OG 3.49Å; L183-S186 PolarHBondContact O-N 3.48Å; S186-R188 PolarHBondContact O-N 3.24Å; S186-Q190 PolarHBondContact O-N 2.99Å |
| 187 | K | 63 | Low | 60.2 | Low | 153 Ų | 153 | 115.4 Ų | 115.4 | 67% | 0.665 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.1 | -38.7 | 176 | -79.3 | -171.6 | 172 | -173.7 | 0 | 112.4 | L183 Q190 S191 | L183-K187 PolarHBondContact O-N 3.47Å; K187-Q190 PolarHBondContact O-N 3.49Å; K187-S191 PolarHBondContact O-N 3.19Å; K187-S191 PolarHBondContact O-OG 2.93Å |
| 188 | R | 62.6 | Low | 59.3 | Low | 173 Ų | 173 | 113.4 Ų | 113.4 | 65% | 0.653 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.5 | -43.6 | -178.9 | -153.4 | 179.5 | -160.1 | 169.2 | 6.9 | 112.5 | S184 Y185 S186 Q190 S191 E192 | S184-R188 PolarHBondContact O-N 3.44Å; S184-R188 VanDerWaalsContact O-N 3.14Å; Y185-R188 PolarHBondContact O-N 2.97Å; S186-R188 PolarHBondContact O-N 3.24Å; R188-Q190 VanDerWaalsContact C-N 3.32Å; R188-Q190 PolarHBondContact O-N 3.29Å; R188-S191 PolarHBondContact O-N 3.03Å; R188-S191 PolarHBondContact O-OG 3.17Å; R188-E192 IonicContact NE-OE1 3.51Å; R188-E192 WeakPolarHBondContact O-CG 3.35Å; R188-E192 PolarHBondContact O-N 3.04Å |
| 189 | R | 60.5 | Low | 58.8 | Low | 143 Ų | 143 | 118 Ų | 118 | 54% | 0.54 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -61.7 | -36.6 | 175 | -86.5 | -167.3 | 169.2 | -147.4 | -2.9 | 113.4 | Y185 E192 Q193 | Y185-R189 HydrophobicContact CE1-CG 4.4Å; Y185-R189 PolarHBondContact O-N 3.06Å; R189-E192 PolarHBondContact O-N 3.15Å; R189-Q193 WeakPolarHBondContact O-CG 3.27Å; R189-Q193 PolarHBondContact O-N 3.32Å |
| 190 | Q | 59.4 | Low | 58.4 | Low | 136 Ų | 136 | 117.5 Ų | 117.5 | 64% | 0.636 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -64.6 | -42.1 | 176.1 | -75 | -174.9 | -38.6 | 0 | 0 | 111.9 | S186 K187 R188 E192 T194 | S186-Q190 PolarHBondContact O-N 2.99Å; K187-Q190 PolarHBondContact O-N 3.49Å; R188-Q190 VanDerWaalsContact C-N 3.32Å; R188-Q190 PolarHBondContact O-N 3.29Å; Q190-E192 PolarHBondContact O-N 2.95Å; Q190-T194 PolarHBondContact O-N 3.48Å; Q190-T194 PolarHBondContact O-OG1 3.24Å; Q190-T194 VanDerWaalsContact O-OG1 3.08Å |
| 191 | S | 61.8 | Low | 58.3 | Low | 63 Ų | 63 | 123.1 Ų | 123.1 | 44% | 0.441 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -65 | -35.9 | 173.5 | 42.6 | 0 | 0 | 0 | 0 | 113.6 | K187 R188 I195 | K187-S191 PolarHBondContact O-N 3.19Å; K187-S191 PolarHBondContact O-OG 2.93Å; R188-S191 PolarHBondContact O-N 3.03Å; R188-S191 PolarHBondContact O-OG 3.17Å; S191-I195 WeakPolarHBondContact O-CG1 3.06Å |
| 192 | E | 59.9 | Low | 57.6 | Low | 101 Ų | 101 | 121.6 Ų | 121.6 | 47% | 0.472 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -73.1 | -36.8 | -179 | -71.5 | 163.1 | 171.1 | 0 | 0 | 112.1 | R188 R189 Q190 T194 I195 | R188-E192 IonicContact NE-OE1 3.51Å; R188-E192 WeakPolarHBondContact O-CG 3.35Å; R188-E192 PolarHBondContact O-N 3.04Å; R189-E192 PolarHBondContact O-N 3.15Å; Q190-E192 PolarHBondContact O-N 2.95Å; E192-T194 VanDerWaalsContact C-N 3.31Å; E192-T194 PolarHBondContact O-N 2.96Å; E192-I195 PolarHBondContact O-N 3.3Å |
| 193 | Q | 58.4 | Low | 57.3 | Low | 139 Ų | 139 | 124 Ų | 124 | 65% | 0.65 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -71.6 | -19.9 | 176.7 | -71.6 | -172.6 | -67.3 | 0 | 0 | 114.1 | R189 I195 | R189-Q193 WeakPolarHBondContact O-CG 3.27Å; R189-Q193 PolarHBondContact O-N 3.32Å; Q193-I195 VanDerWaalsContact C-N 3.34Å |
| 194 | T | 56.9 | Low | 56.7 | Low | 115 Ų | 115 | 124.4 Ų | 124.4 | 71% | 0.706 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -75.5 | -22.1 | 173.6 | -51 | 0 | 0 | 0 | 0 | 112.7 | Q190 E192 | Q190-T194 PolarHBondContact O-N 3.48Å; Q190-T194 PolarHBondContact O-OG1 3.24Å; Q190-T194 VanDerWaalsContact O-OG1 3.08Å; E192-T194 VanDerWaalsContact C-N 3.31Å; E192-T194 PolarHBondContact O-N 2.96Å |
| 195 | I | 59.3 | Low | 56.3 | Low | 137 Ų | 137 | 126.2 Ų | 126.2 | 70% | 0.703 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -87.9 | -25.1 | -171.9 | -66.4 | 169.7 | 0 | 0 | 0 | 112.9 | S191 E192 Q193 | S191-I195 WeakPolarHBondContact O-CG1 3.06Å; E192-I195 PolarHBondContact O-N 3.3Å; Q193-I195 VanDerWaalsContact C-N 3.34Å |
| 196 | M | 59.4 | Low | 55.8 | Low | 171 Ų | 171 | 124.6 Ų | 124.6 | 84% | 0.842 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -93.3 | -3 | -174.3 | -70.6 | -166.4 | 170.7 | 0 | 0 | 116.1 | ||
| 197 | N | 57.3 | Low | 55.1 | Low | 150 Ų | 150 | 127.9 Ų | 127.9 | 80% | 0.802 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -104.3 | 6.5 | -176.5 | -76.5 | -6.1 | 0 | 0 | 0 | 114.8 | ||
| 198 | G | 45.3 | Very low | 54.5 | Low | 60 Ų | 60 | 129 Ų | 129 | 62% | 0.619 | 70% | 0.699 | S | S | * | * | trans | -110.5 | 76.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 199 | N | 49.5 | Very low | 53.8 | Low | 169 Ų | 169 | 130.5 Ų | 130.5 | 90% | 0.904 | 71% | 0.705 | S | S | * | * | trans | -172 | 86.2 | 162 | -101.1 | -27.9 | 0 | 0 | 0 | 112.2 | ||||
| 200 | A | 52.2 | Low | 53.5 | Low | 90 Ų | 90 | 131.8 Ų | 131.8 | 74% | 0.744 | 72% | 0.717 | S | S | * | * | trans | -160.5 | 131.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 201 | L | 57.1 | Low | 53 | Low | 182 Ų | 182 | 130.5 Ų | 130.5 | 95% | 0.953 | 72% | 0.72 | S | S | * | * | trans | 63.5 | 131.1 | 163.1 | -61.2 | 161.4 | 0 | 0 | 0 | 117.6 | ||||
| 202 | G | 46.7 | Very low | 52.5 | Low | 59 Ų | 59 | 135.3 Ų | 135.3 | 61% | 0.608 | 74% | 0.74 | S | S | * | * | trans | -141.6 | -173.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 203 | H | 50.4 | Low | 52 | Low | 175 Ų | 175 | 136 Ų | 136 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | trans | 68.3 | 140.7 | -173.2 | -66.6 | -85.7 | 0 | 0 | 0 | 114.3 | ||||
| 204 | D | 46.6 | Very low | 51.6 | Low | 120 Ų | 120 | 133.8 Ų | 133.8 | 64% | 0.642 | 76% | 0.761 | S | S | * | * | cis | -151.4 | 152.1 | 5.5 | -118.9 | -24 | 0 | 0 | 0 | 115.3 | ||||
| 205 | T | 51.8 | Low | 51.3 | Low | 113 Ų | 113 | 138.1 Ų | 138.1 | 69% | 0.693 | 77% | 0.771 | S | S | * | * | trans | 57.2 | 146.8 | 149.7 | 57.4 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 206 | T | 50.7 | Low | 51.5 | Low | 118 Ų | 118 | 140.1 Ų | 140.1 | 72% | 0.724 | 78% | 0.779 | S | S | * | * | trans | 71.8 | 89.3 | 147.9 | 38.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 207 | T | 48.7 | Very low | 52 | Low | 118 Ų | 118 | 137.1 Ų | 137.1 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | 39.2 | 117.3 | 118.8 | 58.3 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 208 | H | 49 | Very low | 52.8 | Low | 176 Ų | 176 | 135.5 Ų | 135.5 | 82% | 0.815 | 77% | 0.77 | S | S | * | * | -162.4 | 173.9 | 99.7 | -122.3 | -106.4 | 0 | 0 | 0 | 113.8 | |||||
| 209 | R | 48 | Very low | 54.1 | Low | 205 Ų | 205 | 137.9 Ų | 137.9 | 77% | 0.774 | 78% | 0.775 | S | S | * | * | trans | -75.8 | 147.9 | -173.9 | -58.4 | 170.3 | 176.9 | 167.6 | -2.8 | 113.1 | ||||
| 210 | H | 54.6 | Low | 54.5 | Low | 171 Ų | 171 | 139.1 Ų | 139.1 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | 169.7 | 133.6 | 107.8 | -97.1 | -80.1 | 0 | 0 | 0 | 112.6 | |||||
| 211 | P | 48.9 | Very low | 55 | Low | 108 Ų | 108 | 144.4 Ų | 144.4 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | trans | -102.4 | 153.6 | 164.3 | 37.3 | -31 | 0 | 0 | 0 | 112.3 | ||||
| 212 | L | 51.3 | Low | 54.7 | Low | 164 Ų | 164 | 139.6 Ų | 139.6 | 86% | 0.859 | 77% | 0.768 | S | S | * | * | trans | 165.9 | 134.8 | 137.4 | -94.4 | 167.3 | 0 | 0 | 0 | 113.3 | ||||
| 213 | S | 49.5 | Very low | 54.9 | Low | 117 Ų | 117 | 145.2 Ų | 145.2 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | 64.8 | 160.7 | 158 | 79.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 214 | A | 51.3 | Low | 55.1 | Low | 91 Ų | 91 | 145.7 Ų | 145.7 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | cis | -143.1 | 167.3 | -1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 215 | F | 49.2 | Very low | 55.4 | Low | 206 Ų | 206 | 144.6 Ų | 144.6 | 90% | 0.904 | 78% | 0.782 | S | S | * | * | trans | -75.9 | 151.8 | 170.7 | -88.9 | -115.6 | 0 | 0 | 0 | 112.2 | ||||
| 216 | M | 63.8 | Low | 55.6 | Low | 179 Ų | 179 | 145.1 Ų | 145.1 | 88% | 0.882 | 79% | 0.787 | S | S | * | * | trans | -140.4 | 123.6 | 159.3 | -69.4 | -161.8 | 77.9 | 0 | 0 | 112.1 | ||||
| 217 | P | 71 | Confident | 56 | Low | 109 Ų | 109 | 147 Ų | 147 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 160.3 | 162.8 | 36.6 | -31.3 | 0 | 0 | 0 | 112 | ||
| 218 | P | 74.4 | Confident | 56.1 | Low | 115 Ų | 115 | 148.3 Ų | 148.3 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 155.4 | 177.1 | 32.8 | -35.5 | 0 | 0 | 0 | 113.2 | ||
| 219 | P | 71.3 | Confident | 56.4 | Low | 111 Ų | 111 | 145.6 Ų | 145.6 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 150 | -175.2 | 34.1 | -35.9 | 0 | 0 | 0 | 114.4 | ||
| 220 | H | 57.7 | Low | 56.7 | Low | 194 Ų | 194 | 143.8 Ų | 143.8 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 141.1 | 162.5 | -82 | -104.5 | 0 | 0 | 0 | 110.9 | ||
| 221 | F | 62.5 | Low | 56.5 | Low | 202 Ų | 202 | 141.1 Ų | 141.1 | 89% | 0.886 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 148.1 | 165.8 | -91.9 | -92.8 | 0 | 0 | 0 | 110.9 | ||
| 222 | A | 52.1 | Low | 56.7 | Low | 81 Ų | 81 | 143.7 Ų | 143.7 | 67% | 0.669 | 80% | 0.8 | S | S | * | * | trans | -148.9 | 153.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 223 | H | 49.7 | Very low | 56.5 | Low | 176 Ų | 176 | 141.2 Ų | 141.2 | 82% | 0.815 | 80% | 0.796 | S | S | * | * | trans | 51.6 | 115.9 | 158.2 | -64 | -62.8 | 0 | 0 | 0 | 122.8 | ||||
| 224 | H | 55.8 | Low | 56.5 | Low | 186 Ų | 186 | 140.7 Ų | 140.7 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | trans | -162.2 | 152.4 | 134.4 | -83.1 | -38.2 | 0 | 0 | 0 | 108.3 | ||||
| 225 | S | 52.9 | Low | 56.3 | Low | 97 Ų | 97 | 139.9 Ų | 139.9 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | cis | -160.4 | 138.5 | -26.7 | -84 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 226 | P | 55.6 | Low | 56.1 | Low | 123 Ų | 123 | 141.1 Ų | 141.1 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | trans | -98.6 | 156.5 | -179 | 37.4 | -34 | 0 | 0 | 0 | 113.8 | ||||
| 227 | I | 58.6 | Low | 55.4 | Low | 157 Ų | 157 | 139.6 Ų | 139.6 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | trans | -166.6 | 134.8 | 153.1 | -108.1 | 154.1 | 0 | 0 | 0 | 113.4 | ||||
| 228 | N | 51.7 | Low | 54.1 | Low | 147 Ų | 147 | 138 Ų | 138 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | trans | 54.7 | 139 | 158.8 | -62.4 | -5.3 | 0 | 0 | 0 | 124.6 | ||||
| 229 | P | 55.6 | Low | 52.6 | Low | 119 Ų | 119 | 140.6 Ų | 140.6 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | -109.5 | 179.8 | 171.2 | 43.1 | -35.3 | 0 | 0 | 0 | 113.7 | ||||
| 230 | L | 54 | Low | 51.3 | Low | 166 Ų | 166 | 139 Ų | 139 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | trans | -154.3 | 153 | 153.1 | -110.1 | 173.2 | 0 | 0 | 0 | 113.8 | ||||
| 231 | T | 51 | Low | 50.6 | Low | 116 Ų | 116 | 139.7 Ų | 139.7 | 71% | 0.712 | 81% | 0.808 | S | S | * | * | trans | -65.5 | 152.4 | -168.8 | 50.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 232 | N | 51.4 | Low | 49.9 | Very low | 162 Ų | 162 | 138.6 Ų | 138.6 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | -161.9 | 168.8 | 116.5 | -118.7 | -26.7 | 0 | 0 | 0 | 113.6 | |||||
| 233 | S | 48.1 | Very low | 49.3 | Very low | 111 Ų | 111 | 144.9 Ų | 144.9 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | trans | -144.5 | -179.1 | -159.2 | 62.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 234 | A | 49.5 | Very low | 49 | Very low | 106 Ų | 106 | 143.1 Ų | 143.1 | 88% | 0.876 | 81% | 0.808 | S | S | * | * | trans | 75.8 | 146.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 235 | G | 46.5 | Very low | 48.4 | Very low | 74 Ų | 74 | 138.3 Ų | 138.3 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | cis | -165.1 | 172.5 | -0.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 236 | Y | 44.8 | Very low | 47.9 | Very low | 233 Ų | 233 | 138.2 Ų | 138.2 | 91% | 0.914 | 81% | 0.806 | S | S | * | * | trans | -80.3 | 154.7 | 177.7 | -82.2 | -119.2 | 0 | 0 | 0 | 112.8 | ||||
| 237 | V | 49 | Very low | 47.3 | Very low | 147 Ų | 147 | 138.6 Ų | 138.6 | 89% | 0.891 | 81% | 0.806 | S | S | * | * | -154.3 | 165.6 | 113.3 | -165.8 | 0 | 0 | 0 | 0 | 108 | |||||
| 238 | A | 43.9 | Very low | 46.5 | Very low | 74 Ų | 74 | 135.8 Ų | 135.8 | 61% | 0.612 | 80% | 0.8 | S | S | * | * | trans | -125.8 | -164 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 239 | D | 43.2 | Very low | 45.9 | Very low | 171 Ų | 171 | 137.4 Ų | 137.4 | 91% | 0.914 | 81% | 0.805 | S | S | * | * | trans | 82.3 | 149.8 | 166.6 | -57.4 | -39.3 | 0 | 0 | 0 | 120.7 | ||||
| 240 | G | 44.3 | Very low | 45.5 | Very low | 76 Ų | 76 | 136.6 Ų | 136.6 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | trans | 132.6 | 77.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 241 | F | 42.4 | Very low | 44.9 | Very low | 210 Ų | 210 | 135.5 Ų | 135.5 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | trans | -83.2 | 133.9 | 164.1 | -85.9 | -104.8 | 0 | 0 | 0 | 111.1 | ||||
| 242 | H | 47.2 | Very low | 44.5 | Very low | 178 Ų | 178 | 131 Ų | 131 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | -160.5 | 166.9 | 123.5 | -134.5 | -95 | 0 | 0 | 0 | 113.9 | |||||
| 243 | R | 40.1 | Very low | 44.1 | Very low | 214 Ų | 214 | 131 Ų | 131 | 81% | 0.808 | 76% | 0.757 | S | S | * | * | trans | -111.7 | 176.7 | 172.6 | -128.8 | -175.7 | -177.5 | -174.1 | -0.4 | 110.5 | ||||
| 244 | D | 43.9 | Very low | 43.8 | Very low | 138 Ų | 138 | 129.6 Ų | 129.6 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | trans | 82.8 | 158 | 171.3 | -48.5 | -31.2 | 0 | 0 | 0 | 115.8 | ||||
| 245 | A | 43.1 | Very low | 43.4 | Very low | 86 Ų | 86 | 129.9 Ų | 129.9 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | cis | -167.9 | 149.2 | -37.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 246 | A | 42.7 | Very low | 43 | Very low | 95 Ų | 95 | 132.5 Ų | 132.5 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | trans | 65.5 | 168.4 | 162.3 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 247 | T | 42.9 | Very low | 42.8 | Very low | 130 Ų | 130 | 130.4 Ų | 130.4 | 80% | 0.798 | 74% | 0.736 | S | S | * | * | trans | 85.1 | 108.6 | 158.9 | -35 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 248 | S | 40.8 | Very low | 42.5 | Very low | 98 Ų | 98 | 131.4 Ų | 131.4 | 69% | 0.685 | 73% | 0.73 | S | S | * | * | trans | -62.7 | 146.5 | 164.4 | 136.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 249 | M | 40.6 | Very low | 42.4 | Very low | 182 Ų | 182 | 135 Ų | 135 | 90% | 0.897 | 74% | 0.735 | S | S | * | * | trans | -164.2 | 171.1 | 137.1 | -109.4 | 168.6 | -132.4 | 0 | 0 | 112.4 | ||||
| 250 | V | 45.6 | Very low | 42.6 | Very low | 101 Ų | 101 | 133.2 Ų | 133.2 | 61% | 0.612 | 73% | 0.732 | S | S | * | * | trans | -132.4 | 124.7 | -168.6 | -178.6 | 0 | 0 | 0 | 0 | 111.3 | N252 V439 | V250-N252 HydrophobicContact CG1-CB 4.17Å; V250-V439 HydrophobicContact CG1-CG1 4.32Å | ||
| 251 | N | 42.9 | Very low | 42.5 | Very low | 144 Ų | 144 | 134.6 Ų | 134.6 | 77% | 0.77 | 73% | 0.726 | S | S | * | * | trans | -150.9 | 107 | 172.6 | -106.7 | -38.1 | 0 | 0 | 0 | 110 | ||||
| 252 | N | 42.6 | Very low | 42.6 | Very low | 21 Ų | 21 | 135.8 Ų | 135.8 | 11% | 0.112 | 72% | 0.724 | C | S | . | * | cis | 105.6 | 80.2 | 5 | -133.8 | 27.4 | 0 | 0 | 0 | 115 | V250 V439 G440 A441 | V250-N252 HydrophobicContact CG1-CB 4.17Å; N252-V439 CarbonylContact C-O 3.53Å; N252-V439 WeakPolarHBondContact CA-O 3.24Å; N252-V439 HydrophobicContact CB-CG1 4.09Å; N252-V439 WeakPolarHBondContact OD1-CG1 3.16Å; N252-G440 PolarHBondContact ND2-O 3.2Å; N252-G440 VanDerWaalsContact OD1-CA 3.25Å; N252-G440 WeakPolarHBondContact OD1-CA 3.3Å; N252-G440 PolarHBondContact OD1-N 2.78Å; N252-G440 PolarHBondContact OD1-O 3.37Å; N252-A441 HydrophobicContact CB-CB 4.15Å; N252-A441 WeakPolarHBondContact ND2-CA 3.47Å; N252-A441 WeakPolarHBondContact O-CB 3.38Å | ||
| 253 | F | 41.6 | Very low | 42.3 | Very low | 163 Ų | 163 | 136.5 Ų | 136.5 | 72% | 0.715 | 73% | 0.725 | S | S | * | * | trans | -150 | 146.7 | 177.9 | -104.8 | -84.3 | 0 | 0 | 0 | 113.7 | F438 V439 | F253-F438 HydrophobicContact CB-CE1 4.28Å; F253-F438 WeakPolarHBondContact O-CD1 3.34Å; F253-V439 PolarHBondContact N-O 3.45Å | ||
| 254 | A | 42.6 | Very low | 42.6 | Very low | 81 Ų | 81 | 135.4 Ų | 135.4 | 67% | 0.669 | 73% | 0.726 | S | S | * | * | trans | -151.6 | 153.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 255 | S | 40.2 | Very low | 42.6 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 78% | 0.776 | 73% | 0.729 | S | S | * | * | trans | -176.4 | 149.9 | 166.9 | -93.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 256 | D | 38.6 | Very low | 42.4 | Very low | 130 Ų | 130 | 140.7 Ų | 140.7 | 70% | 0.695 | 74% | 0.739 | S | S | * | * | cis | -164.1 | -178 | -18.6 | -130.9 | -59.8 | 0 | 0 | 0 | 112.7 | ||||
| 257 | Y | 41.2 | Very low | 42.5 | Very low | 189 Ų | 189 | 139.8 Ų | 139.8 | 74% | 0.741 | 74% | 0.739 | S | S | * | * | trans | 87.4 | 118.3 | 154.9 | -80.9 | -61.2 | 0 | 0 | 0 | 124.3 | ||||
| 258 | H | 42.1 | Very low | 42.6 | Very low | 167 Ų | 167 | 138.2 Ų | 138.2 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | trans | 69.9 | 112.1 | 145.2 | -80.5 | -51.6 | 0 | 0 | 0 | 123.9 | ||||
| 259 | Q | 41.5 | Very low | 42.6 | Very low | 151 Ų | 151 | 139.3 Ų | 139.3 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | trans | -78.2 | 176.9 | 144.2 | -59.3 | -177.9 | -8.6 | 0 | 0 | 111.2 | ||||
| 260 | P | 47.7 | Very low | 42.7 | Very low | 132 Ų | 132 | 138.3 Ų | 138.3 | 86% | 0.857 | 74% | 0.74 | S | S | * | * | -135.4 | 165.6 | 102.2 | 38.9 | -30.7 | 0 | 0 | 0 | 115.5 | |||||
| 261 | T | 41.8 | Very low | 42.5 | Very low | 105 Ų | 105 | 138.3 Ų | 138.3 | 64% | 0.644 | 75% | 0.745 | S | S | * | * | trans | -89.7 | 162.4 | -177.7 | 52.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 262 | R | 45.2 | Very low | 42.6 | Very low | 236 Ų | 236 | 137.6 Ų | 137.6 | 89% | 0.891 | 75% | 0.75 | S | S | * | * | trans | -140.1 | 125.6 | 155.3 | -76.5 | -165.3 | 173.9 | -171.1 | -1.9 | 111.5 | ||||
| 263 | F | 40.3 | Very low | 42.4 | Very low | 193 Ų | 193 | 140.9 Ų | 140.9 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | trans | -86.5 | 152 | 162.4 | -90.1 | -106.4 | 0 | 0 | 0 | 110 | ||||
| 264 | F | 46.5 | Very low | 42.5 | Very low | 190 Ų | 190 | 138.9 Ų | 138.9 | 83% | 0.833 | 79% | 0.786 | S | S | * | * | trans | -144.3 | 147.8 | 147.7 | -99 | -84.4 | 0 | 0 | 0 | 109.1 | ||||
| 265 | P | 44 | Very low | 42.5 | Very low | 121 Ų | 121 | 144.2 Ų | 144.2 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | trans | -99.7 | 179.4 | -164.3 | 39.1 | -34.8 | 0 | 0 | 0 | 114.6 | ||||
| 266 | K | 38.2 | Very low | 43 | Very low | 214 Ų | 214 | 149.5 Ų | 149.5 | 93% | 0.93 | 80% | 0.799 | S | S | * | * | trans | -65.9 | 145.9 | 175.7 | -64.3 | 173.1 | 178.1 | 174.8 | 0 | 112 | ||||
| 267 | G | 45.4 | Very low | 43.9 | Very low | 76 Ų | 76 | 148.2 Ų | 148.2 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | trans | -133.7 | 156.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 268 | A | 44.6 | Very low | 44 | Very low | 97 Ų | 97 | 149.9 Ų | 149.9 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | trans | -55.4 | 150.9 | -164.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 269 | T | 41.2 | Very low | 44 | Very low | 121 Ų | 121 | 151.6 Ų | 151.6 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | trans | -12.5 | 138.1 | 149.7 | 51.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 270 | N | 43.4 | Very low | 44.3 | Very low | 161 Ų | 161 | 149.4 Ų | 149.4 | 86% | 0.861 | 81% | 0.811 | S | S | * | * | -160.9 | 160.1 | 115.3 | -100.5 | -27.6 | 0 | 0 | 0 | 112.7 | |||||
| 271 | S | 41.4 | Very low | 44.1 | Very low | 102 Ų | 102 | 151.2 Ų | 151.2 | 71% | 0.713 | 81% | 0.814 | S | S | * | * | trans | -77.8 | 149.4 | 179.2 | 53.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 272 | C | 44.1 | Very low | 44.3 | Very low | 128 Ų | 128 | 150.9 Ų | 150.9 | 87% | 0.865 | 82% | 0.821 | S | S | * | * | 175.2 | 156.3 | 120.4 | -94.8 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 273 | A | 39.6 | Very low | 44.2 | Very low | 91 Ų | 91 | 150.4 Ų | 150.4 | 75% | 0.752 | 82% | 0.821 | S | S | * | * | trans | -61.1 | 149.3 | -169.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 274 | S | 43.5 | Very low | 44.6 | Very low | 120 Ų | 120 | 152.4 Ų | 152.4 | 84% | 0.839 | 82% | 0.823 | S | S | * | * | trans | -155.2 | 115.2 | 144.7 | -82.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 275 | F | 41.2 | Very low | 45.1 | Very low | 194 Ų | 194 | 149.1 Ų | 149.1 | 85% | 0.851 | 82% | 0.821 | S | S | * | * | trans | -80.3 | 129.5 | 174 | -111.1 | -112.9 | 0 | 0 | 0 | 110 | ||||
| 276 | Y | 51.3 | Low | 45.5 | Very low | 221 Ų | 221 | 148.8 Ų | 148.8 | 87% | 0.867 | 82% | 0.821 | S | S | * | * | trans | -147.8 | 108.7 | 158.1 | -95 | -72.7 | 0 | 0 | 0 | 110.2 | ||||
| 277 | P | 57.1 | Low | 46.7 | Very low | 104 Ų | 104 | 147.5 Ų | 147.5 | 68% | 0.675 | 82% | 0.819 | S | S | * | * | trans | -78.8 | 155.1 | 176.8 | 31.9 | -34 | 0 | 0 | 0 | 112.3 | ||||
| 278 | Y | 44 | Very low | 47.7 | Very low | 223 Ų | 223 | 149.4 Ų | 149.4 | 88% | 0.875 | 82% | 0.818 | S | S | * | * | trans | -62.4 | 133.2 | 172.1 | -101.4 | -122.8 | 0 | 0 | 0 | 111.8 | S280 | Y278-S280 PolarHBondContact O-N 3.28Š| ||
| 279 | F | 42.6 | Very low | 48.5 | Very low | 204 Ų | 204 | 150.8 Ų | 150.8 | 90% | 0.895 | 82% | 0.818 | S | S | * | * | trans | -82.7 | 102.2 | 160.7 | -89.5 | -84.4 | 0 | 0 | 0 | 110.3 | ||||
| 280 | S | 46.6 | Very low | 49.1 | Very low | 104 Ų | 104 | 149.8 Ų | 149.8 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 128.8 | 165.4 | -66.3 | 0 | 0 | 0 | 0 | 109.9 | Y278 A282 | Y278-S280 PolarHBondContact O-N 3.28Å; S280-A282 PolarHBondContact O-N 3.46Å |
| 281 | N | 45.2 | Very low | 49.6 | Very low | 171 Ų | 171 | 146.7 Ų | 146.7 | 91% | 0.914 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 119.7 | 172.8 | -89.8 | -33.2 | 0 | 0 | 0 | 110 | ||
| 282 | A | 44.2 | Very low | 50.3 | Low | 97 Ų | 97 | 149.5 Ų | 149.5 | 80% | 0.802 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 135.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S280 | S280-A282 PolarHBondContact O-N 3.46Š|
| 283 | Y | 44.5 | Very low | 50.1 | Low | 226 Ų | 226 | 146.7 Ų | 146.7 | 89% | 0.886 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 132.2 | 164.1 | -125.2 | -109.6 | 0 | 0 | 0 | 109 | ||
| 284 | R | 49 | Very low | 50.9 | Low | 235 Ų | 235 | 152.1 Ų | 152.1 | 89% | 0.887 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 124.7 | 162.5 | -87.5 | -168.7 | 171.7 | -157.7 | -3 | 108.7 | ||
| 285 | P | 55.4 | Low | 51.1 | Low | 121 Ų | 121 | 152.6 Ų | 152.6 | 79% | 0.786 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 154.7 | 164.5 | 31.6 | -33.6 | 0 | 0 | 0 | 110.2 | ||
| 286 | S | 53.5 | Low | 51.1 | Low | 114 Ų | 114 | 149.5 Ų | 149.5 | 80% | 0.797 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 141.7 | 171.1 | 49.5 | 0 | 0 | 0 | 0 | 111.2 | ||
| 287 | E | 63.7 | Low | 51.1 | Low | 188 Ų | 188 | 143.9 Ų | 143.9 | 88% | 0.879 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 144.4 | 171.9 | -70.9 | 170.8 | 97.3 | 0 | 0 | 111.9 | ||
| 288 | P | 66.4 | Low | 50.7 | Low | 116 Ų | 116 | 144.6 Ų | 144.6 | 75% | 0.753 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 148 | 170.1 | 33.5 | -33.7 | 0 | 0 | 0 | 111.2 | ||
| 289 | P | 61.6 | Low | 51 | Low | 125 Ų | 125 | 141 Ų | 141 | 81% | 0.812 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 137.4 | 173.2 | 30.7 | -33.9 | 0 | 0 | 0 | 111.3 | A291 | P289-A291 PolarHBondContact O-N 3.07Š|
| 290 | A | 53.6 | Low | 51.2 | Low | 100 Ų | 100 | 135.4 Ų | 135.4 | 83% | 0.826 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 118.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 291 | A | 52.6 | Low | 51.3 | Low | 96 Ų | 96 | 135.5 Ų | 135.5 | 79% | 0.793 | 83% | 0.833 | S | S | * | * | trans | -102.2 | 95.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | P289 G293 | P289-A291 PolarHBondContact O-N 3.07Å; A291-G293 PolarHBondContact O-N 3.49Å | ||
| 292 | N | 56.2 | Low | 51.4 | Low | 162 Ų | 162 | 131.3 Ų | 131.3 | 87% | 0.866 | 82% | 0.821 | S | S | * | * | trans | -84.7 | 93.9 | 170.2 | -76.3 | -8.2 | 0 | 0 | 0 | 110.1 | ||||
| 293 | G | 41.3 | Very low | 51.9 | Low | 69 Ų | 69 | 134.6 Ų | 134.6 | 71% | 0.711 | 82% | 0.824 | S | S | * | * | trans | -84.6 | 126.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | A291 | A291-G293 PolarHBondContact O-N 3.49Š| ||
| 294 | F | 55.1 | Low | 52.3 | Low | 205 Ų | 205 | 128.9 Ų | 128.9 | 90% | 0.899 | 82% | 0.815 | S | S | * | * | trans | -124.1 | 138.1 | 166.8 | -113.6 | -91.2 | 0 | 0 | 0 | 109.7 | ||||
| 295 | C | 47.9 | Very low | 52.4 | Low | 129 Ų | 129 | 124.9 Ų | 124.9 | 87% | 0.872 | 81% | 0.81 | S | S | * | * | trans | -80.8 | 156.9 | -165.1 | -63.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 296 | C | 42.1 | Very low | 52.4 | Low | 130 Ų | 130 | 124.4 Ų | 124.4 | 88% | 0.878 | 81% | 0.807 | S | S | * | * | trans | -84.4 | 144.4 | -176.9 | -56.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 297 | A | 50.5 | Low | 52 | Low | 103 Ų | 103 | 129.3 Ų | 129.3 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | trans | -159.6 | 121.4 | 151.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 298 | P | 48.7 | Very low | 51.4 | Low | 118 Ų | 118 | 129.8 Ų | 129.8 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | trans | -121.7 | 129.8 | -177 | 37.5 | -25.6 | 0 | 0 | 0 | 115.5 | ||||
| 299 | T | 51.2 | Low | 50.5 | Low | 148 Ų | 148 | 130.6 Ų | 130.6 | 91% | 0.908 | 81% | 0.806 | S | S | * | * | trans | -170.5 | 158.3 | 158.8 | 23 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 300 | A | 47 | Very low | 49.7 | Very low | 87 Ų | 87 | 130 Ų | 130 | 72% | 0.719 | 80% | 0.804 | S | S | * | * | cis | -175.6 | 156.7 | -38.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 301 | A | 47.7 | Very low | 49.5 | Very low | 106 Ų | 106 | 129.9 Ų | 129.9 | 88% | 0.876 | 80% | 0.803 | S | S | * | * | trans | 66.6 | 151.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 302 | A | 47.4 | Very low | 49.2 | Very low | 82 Ų | 82 | 134 Ų | 134 | 68% | 0.678 | 81% | 0.806 | S | S | * | * | cis | -166 | 130.2 | -22.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 303 | L | 54.1 | Low | 49.3 | Very low | 166 Ų | 166 | 132 Ų | 132 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | trans | 66.2 | 173 | 151.4 | -55.1 | 174.8 | 0 | 0 | 0 | 118.1 | ||||
| 304 | P | 53.1 | Low | 49.3 | Very low | 106 Ų | 106 | 136.8 Ų | 136.8 | 69% | 0.688 | 81% | 0.805 | S | S | * | * | -136.3 | 153.8 | -61.1 | 40.3 | -26 | 0 | 0 | 0 | 117 | |||||
| 305 | I | 52.1 | Low | 49.3 | Very low | 151 Ų | 151 | 136.1 Ų | 136.1 | 77% | 0.774 | 81% | 0.805 | S | S | * | * | 23.3 | 137.3 | 128.6 | -63.1 | 164.9 | 0 | 0 | 0 | 118.2 | |||||
| 306 | P | 53.6 | Low | 49.1 | Very low | 111 Ų | 111 | 138.5 Ų | 138.5 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | cis | -145.5 | 172.7 | 39 | 23 | 4.4 | 0 | 0 | 0 | 121.1 | ||||
| 307 | Y | 47.1 | Very low | 49.5 | Very low | 217 Ų | 217 | 140.1 Ų | 140.1 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | trans | 1.2 | 143.2 | 153.3 | -61.8 | -83.4 | 0 | 0 | 0 | 123.6 | ||||
| 308 | F | 49.3 | Very low | 49.5 | Very low | 198 Ų | 198 | 142.5 Ų | 142.5 | 87% | 0.868 | 79% | 0.792 | S | S | * | * | -155.7 | 125.6 | 124.3 | -127.8 | -87.9 | 0 | 0 | 0 | 116.5 | |||||
| 309 | I | 49.1 | Very low | 49.3 | Very low | 134 Ų | 134 | 145.9 Ų | 145.9 | 69% | 0.687 | 80% | 0.797 | S | S | * | * | trans | -4.8 | 125.4 | 161.8 | -54.4 | -179.5 | 0 | 0 | 0 | 122.8 | ||||
| 310 | S | 43.6 | Very low | 49.4 | Very low | 112 Ų | 112 | 147 Ų | 147 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | trans | 21.6 | 138.1 | 130.8 | -162.3 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 311 | A | 49.4 | Very low | 49.1 | Very low | 97 Ų | 97 | 146.7 Ų | 146.7 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | -171.2 | 153.1 | 123.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 312 | Q | 47.4 | Very low | 49.4 | Very low | 183 Ų | 183 | 147.3 Ų | 147.3 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | trans | -106.6 | 151.3 | 163.2 | -81.8 | -168.7 | -19.1 | 0 | 0 | 110.9 | ||||
| 313 | P | 56.7 | Low | 49.5 | Very low | 119 Ų | 119 | 152 Ų | 152 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | -97.2 | 128.2 | 155 | 34 | -26.5 | 0 | 0 | 0 | 111.5 | ||||
| 314 | Q | 42.5 | Very low | 49.6 | Very low | 170 Ų | 170 | 152.7 Ų | 152.7 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | -80.4 | 144.6 | 154.6 | -70.9 | -175.2 | -11.9 | 0 | 0 | 109 | ||||
| 315 | Q | 54.2 | Low | 49.6 | Very low | 192 Ų | 192 | 155.8 Ų | 155.8 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | trans | -131.4 | 122.9 | 155 | -78 | -167.1 | -25.8 | 0 | 0 | 110.5 | ||||
| 316 | Q | 43.6 | Very low | 49.5 | Very low | 178 Ų | 178 | 152.8 Ų | 152.8 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | -82.2 | 141.1 | 161.9 | -58.8 | 168.6 | -14.9 | 0 | 0 | 107.7 | ||||
| 317 | Q | 51.7 | Low | 49.6 | Very low | 165 Ų | 165 | 153.2 Ų | 153.2 | 77% | 0.771 | 80% | 0.8 | S | S | * | * | trans | -152.2 | 124.6 | 145.4 | -124.5 | 170.7 | 0.8 | 0 | 0 | 114.5 | ||||
| 318 | Q | 50 | Low | 50 | Low | 153 Ų | 153 | 152 Ų | 152 | 72% | 0.715 | 80% | 0.799 | S | S | * | * | trans | 52.8 | 119.6 | 145.1 | -73.5 | 162 | -9.3 | 0 | 0 | 120.5 | ||||
| 319 | Q | 44 | Very low | 50.5 | Low | 189 Ų | 189 | 150.3 Ų | 150.3 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | -72 | 136.4 | 160.9 | -58.7 | 163.9 | -6.8 | 0 | 0 | 109.6 | ||||
| 320 | H | 53.4 | Low | 51.1 | Low | 171 Ų | 171 | 149.3 Ų | 149.3 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | trans | -131.3 | 117.4 | 154.1 | -94 | -77.9 | 0 | 0 | 0 | 109.1 | ||||
| 321 | G | 40.6 | Very low | 52.3 | Low | 80 Ų | 80 | 153 Ų | 153 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -79 | 126 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 322 | V | 55.1 | Low | 53.1 | Low | 119 Ų | 119 | 154.5 Ų | 154.5 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | trans | -108.1 | 111.9 | 169 | -180 | 0 | 0 | 0 | 0 | 108 | Q324 | V322-Q324 HydrophobicContact CG1-CG 4.2Å; V322-Q324 PolarHBondContact O-N 3.26Å | ||
| 323 | Q | 49.4 | Very low | 53.2 | Low | 181 Ų | 181 | 151.3 Ų | 151.3 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | -68.9 | 127.2 | 166.9 | -63.8 | 179.9 | 5.1 | 0 | 0 | 108.6 | ||||
| 324 | Q | 56.1 | Low | 53.2 | Low | 180 Ų | 180 | 151.3 Ų | 151.3 | 84% | 0.841 | 80% | 0.802 | S | S | * | * | trans | -118.1 | 124.6 | 161.5 | -69.6 | -166.7 | -8.7 | 0 | 0 | 108.6 | V322 | V322-Q324 HydrophobicContact CG1-CG 4.2Å; V322-Q324 PolarHBondContact O-N 3.26Å | ||
| 325 | Q | 53.2 | Low | 53.4 | Low | 171 Ų | 171 | 151.8 Ų | 151.8 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | trans | -76.5 | 139.1 | -171.1 | -67.2 | 169.3 | -18.2 | 0 | 0 | 110.8 | V327 | Q325-V327 PolarHBondContact O-N 3.44Å; Q325-V327 VanDerWaalsContact O-N 3.12Å | ||
| 326 | A | 50 | Low | 53.2 | Low | 89 Ų | 89 | 150.3 Ų | 150.3 | 74% | 0.736 | 81% | 0.808 | S | S | * | * | trans | -75.5 | 99.3 | 175 | 0 | 0 | 0 | 0 | 0 | 110.5 | F328 | A326-F328 PolarHBondContact O-N 3.43Å; A326-F328 VanDerWaalsContact O-N 3.11Å | ||
| 327 | V | 55.5 | Low | 53.5 | Low | 119 Ų | 119 | 145.3 Ų | 145.3 | 72% | 0.721 | 81% | 0.805 | S | S | * | * | trans | -74 | 100.2 | 173.5 | -178.8 | 0 | 0 | 0 | 0 | 109.5 | Q325 M329 | Q325-V327 PolarHBondContact O-N 3.44Å; Q325-V327 VanDerWaalsContact O-N 3.12Å; V327-M329 PolarHBondContact O-N 3.13Å | ||
| 328 | F | 55.5 | Low | 53.2 | Low | 193 Ų | 193 | 146.1 Ų | 146.1 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | trans | -68.8 | 120.4 | 168.6 | -96.4 | -100.7 | 0 | 0 | 0 | 110.3 | A326 | A326-F328 PolarHBondContact O-N 3.43Å; A326-F328 VanDerWaalsContact O-N 3.11Å | ||
| 329 | M | 59.1 | Low | 53.1 | Low | 162 Ų | 162 | 142.2 Ų | 142.2 | 80% | 0.798 | 81% | 0.813 | S | S | * | * | trans | -93.3 | 115.9 | 169.2 | -73.3 | -94.7 | 90.6 | 0 | 0 | 109.8 | V327 | V327-M329 PolarHBondContact O-N 3.13Š| ||
| 330 | P | 62.6 | Low | 53.3 | Low | 112 Ų | 112 | 139 Ų | 139 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -76 | 149.7 | 171.8 | 31.4 | -33.5 | 0 | 0 | 0 | 111.3 | ||
| 331 | K | 68.9 | Low | 52.9 | Low | 190 Ų | 190 | 134.3 Ų | 134.3 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 140.4 | 168.8 | -74.4 | 176.3 | 173.6 | 177 | 0 | 110.3 | ||
| 332 | P | 64.6 | Low | 53.2 | Low | 128 Ų | 128 | 136.3 Ų | 136.3 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -74 | 127.3 | 155.1 | 31.2 | -30.4 | 0 | 0 | 0 | 109.4 | ||
| 333 | S | 50.2 | Low | 52.6 | Low | 116 Ų | 116 | 135.8 Ų | 135.8 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | trans | -105.5 | 122 | 163.3 | -66.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 334 | S | 56.2 | Low | 52.4 | Low | 119 Ų | 119 | 137.8 Ų | 137.8 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | trans | -115.2 | 103.3 | 175.7 | 57.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 335 | E | 46.9 | Very low | 51.8 | Low | 181 Ų | 181 | 133.2 Ų | 133.2 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | trans | -81.4 | -169 | 163.1 | -64.4 | -176 | 99.5 | 0 | 0 | 110.4 | ||||
| 336 | V | 51.2 | Low | 51.2 | Low | 160 Ų | 160 | 131.1 Ų | 131.1 | 97% | 0.97 | 82% | 0.816 | S | S | * | * | trans | 86.5 | 118.3 | -175.6 | -172.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 337 | G | 48.5 | Very low | 50.9 | Low | 74 Ų | 74 | 131.8 Ų | 131.8 | 76% | 0.763 | 82% | 0.822 | S | S | * | * | trans | 161.4 | 44.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 338 | I | 46.8 | Very low | 50.2 | Low | 182 Ų | 182 | 134 Ų | 134 | 93% | 0.933 | 83% | 0.828 | S | S | * | * | trans | -73.3 | 132.2 | 175.7 | -62.3 | 173.9 | 0 | 0 | 0 | 109.3 | ||||
| 339 | G | 46.4 | Very low | 49.5 | Very low | 70 Ų | 70 | 130 Ų | 130 | 72% | 0.722 | 83% | 0.825 | S | S | * | * | trans | -156.6 | 108.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 340 | S | 49.7 | Very low | 48.9 | Very low | 122 Ų | 122 | 126 Ų | 126 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | trans | -65.5 | 157.2 | 157.1 | 44.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 341 | G | 43.6 | Very low | 48.1 | Very low | 73 Ų | 73 | 130 Ų | 130 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | cis | 123.8 | 100.5 | 7.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 342 | S | 46.7 | Very low | 47.1 | Very low | 121 Ų | 121 | 125.9 Ų | 125.9 | 85% | 0.846 | 82% | 0.818 | S | S | * | * | trans | -160.5 | 138 | 170.3 | 49.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 343 | S | 44.3 | Very low | 46 | Very low | 109 Ų | 109 | 127 Ų | 127 | 76% | 0.762 | 82% | 0.817 | S | S | * | * | trans | -102.4 | 148.9 | 160.8 | -55 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 344 | F | 44.8 | Very low | 46.1 | Very low | 222 Ų | 222 | 129.5 Ų | 129.5 | 97% | 0.974 | 82% | 0.82 | S | S | * | * | trans | -156 | 161.5 | 143 | -94.5 | -62.2 | 0 | 0 | 0 | 109.4 | ||||
| 345 | A | 42.5 | Very low | 45.6 | Very low | 84 Ų | 84 | 128.8 Ų | 128.8 | 69% | 0.694 | 82% | 0.815 | S | S | * | * | trans | -134 | 169.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 346 | S | 41.4 | Very low | 45.7 | Very low | 127 Ų | 127 | 126 Ų | 126 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | trans | 70.2 | 115.3 | 161.6 | -54.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 347 | A | 42.6 | Very low | 45.9 | Very low | 104 Ų | 104 | 124.2 Ų | 124.2 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -148 | 156.5 | 151.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 348 | L | 42.4 | Very low | 46.1 | Very low | 164 Ų | 164 | 129 Ų | 129 | 86% | 0.859 | 81% | 0.814 | S | S | * | * | trans | -139 | 151.7 | -168.4 | -85.5 | 169 | 0 | 0 | 0 | 112.9 | ||||
| 349 | S | 40.2 | Very low | 46.1 | Very low | 111 Ų | 111 | 123.7 Ų | 123.7 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | 74 | 157.5 | 148.7 | -60.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 350 | A | 45.9 | Very low | 46.1 | Very low | 77 Ų | 77 | 129.2 Ų | 129.2 | 64% | 0.636 | 80% | 0.803 | S | S | * | * | trans | 68.7 | 151.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 351 | F | 46 | Very low | 45.9 | Very low | 197 Ų | 197 | 129 Ų | 129 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | cis | -144.5 | 169.7 | 9.9 | -64.4 | -96.1 | 0 | 0 | 0 | 108.7 | ||||
| 352 | S | 47.4 | Very low | 45.8 | Very low | 102 Ų | 102 | 130.9 Ų | 130.9 | 71% | 0.713 | 80% | 0.799 | S | S | * | * | cis | -171.3 | 168.7 | -26 | -86.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 353 | D | 42 | Very low | 46 | Very low | 151 Ų | 151 | 133.6 Ų | 133.6 | 81% | 0.807 | 80% | 0.798 | S | S | * | * | trans | -73.6 | 153.2 | -172.5 | -50.9 | -95.7 | 0 | 0 | 0 | 116.7 | ||||
| 354 | I | 52.8 | Low | 46 | Very low | 170 Ų | 170 | 133.2 Ų | 133.2 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | trans | -137.8 | 134.9 | 155.4 | -61.7 | -176.9 | 0 | 0 | 0 | 109 | ||||
| 355 | S | 45.3 | Very low | 46.4 | Very low | 103 Ų | 103 | 132.5 Ų | 132.5 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | trans | -132.3 | 147 | -179.8 | -71.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 356 | S | 50.3 | Low | 46.8 | Very low | 122 Ų | 122 | 133.8 Ų | 133.8 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | -172.7 | 125 | 161.9 | -83.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 357 | P | 54.9 | Low | 47 | Very low | 123 Ų | 123 | 133.7 Ų | 133.7 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | trans | -133.4 | 133.3 | 169.8 | 37 | -21.8 | 0 | 0 | 0 | 115.4 | ||||
| 358 | I | 52.5 | Low | 47.3 | Very low | 176 Ų | 176 | 133.6 Ų | 133.6 | 90% | 0.903 | 78% | 0.781 | S | S | * | * | trans | -152.6 | 159.6 | 170.9 | -48 | 179.1 | 0 | 0 | 0 | 108.9 | ||||
| 359 | A | 45.8 | Very low | 47.6 | Very low | 69 Ų | 69 | 130.7 Ų | 130.7 | 57% | 0.57 | 78% | 0.781 | S | S | * | * | -171.6 | 146 | -65.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 360 | H | 47.2 | Very low | 48.1 | Very low | 186 Ų | 186 | 131.7 Ų | 131.7 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | trans | 63.1 | 167.3 | 171 | -54.9 | -64.8 | 0 | 0 | 0 | 116.4 | ||||
| 361 | S | 45.4 | Very low | 48.2 | Very low | 117 Ų | 117 | 133.3 Ų | 133.3 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | cis | -145.4 | 172.9 | 15.3 | -163.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 362 | T | 41.7 | Very low | 48.3 | Very low | 114 Ų | 114 | 129.7 Ų | 129.7 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | trans | -94.7 | 158.8 | -171.4 | -30.1 | 0 | 0 | 0 | 0 | 113.6 | V364 | T362-V364 HydrophobicContact CG2-CG2 4.47Š| ||
| 363 | Q | 49.8 | Very low | 48.1 | Very low | 178 Ų | 178 | 129 Ų | 129 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | -161.2 | 163.1 | 144.3 | -100.5 | -54.6 | -12.8 | 0 | 0 | 111.2 | ||||
| 364 | V | 46 | Very low | 48.2 | Very low | 100 Ų | 100 | 127.1 Ų | 127.1 | 61% | 0.606 | 78% | 0.783 | S | S | * | * | trans | -142.7 | 139.4 | -164.4 | 176.3 | 0 | 0 | 0 | 0 | 113.7 | T362 | T362-V364 HydrophobicContact CG2-CG2 4.47Š| ||
| 365 | F | 53 | Low | 47.6 | Very low | 208 Ų | 208 | 126.8 Ų | 126.8 | 91% | 0.912 | 78% | 0.783 | S | S | * | * | trans | -156.1 | 133 | 161.1 | -85.7 | -68.8 | 0 | 0 | 0 | 113.9 | ||||
| 366 | P | 49.4 | Very low | 47.6 | Very low | 110 Ų | 110 | 126.5 Ų | 126.5 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | trans | -135.1 | 142.4 | 167.4 | 38.3 | -23.7 | 0 | 0 | 0 | 115.9 | ||||
| 367 | S | 47.1 | Very low | 47 | Very low | 125 Ų | 125 | 128.7 Ų | 128.7 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | 176.6 | 155.9 | 163.1 | -84 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 368 | S | 48.3 | Very low | 46.5 | Very low | 103 Ų | 103 | 127.7 Ų | 127.7 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | cis | -173.1 | 132.6 | -13.4 | 51.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 369 | A | 48.2 | Very low | 46.1 | Very low | 102 Ų | 102 | 129.9 Ų | 129.9 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | 53.6 | 171.8 | 160.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 370 | V | 50.4 | Low | 45.9 | Very low | 133 Ų | 133 | 133 Ų | 133 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | cis | -141.8 | 154 | 5.5 | -178.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 371 | P | 49.1 | Very low | 45.7 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 72% | 0.721 | 81% | 0.805 | S | S | * | * | trans | -107.3 | -173.2 | -177.9 | 41.2 | -36 | 0 | 0 | 0 | 116.2 | ||||
| 372 | S | 47.6 | Very low | 45.6 | Very low | 121 Ų | 121 | 131.6 Ų | 131.6 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | 81.6 | 148.2 | 166.1 | -70.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 373 | A | 43.9 | Very low | 45.8 | Very low | 86 Ų | 86 | 130.9 Ų | 130.9 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | cis | -161 | -178.4 | -2.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 374 | C | 42.6 | Very low | 45.8 | Very low | 113 Ų | 113 | 131.6 Ų | 131.6 | 76% | 0.764 | 81% | 0.811 | S | S | * | * | trans | 65.7 | 113.8 | 149.9 | 67 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 375 | N | 42.1 | Very low | 45.6 | Very low | 162 Ų | 162 | 135.3 Ų | 135.3 | 87% | 0.866 | 82% | 0.822 | S | S | * | * | 28.3 | 134.7 | 126.4 | -54.2 | 1.1 | 0 | 0 | 0 | 122 | |||||
| 376 | A | 43.7 | Very low | 45.2 | Very low | 98 Ų | 98 | 132.2 Ų | 132.2 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | -176 | 146.7 | 99.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 377 | D | 39.1 | Very low | 45.1 | Very low | 168 Ų | 168 | 134.7 Ų | 134.7 | 90% | 0.898 | 82% | 0.816 | S | S | * | * | trans | -89 | 148 | 171.9 | -62.4 | -81.6 | 0 | 0 | 0 | 112.3 | ||||
| 378 | A | 43.5 | Very low | 44.8 | Very low | 102 Ų | 102 | 136.8 Ų | 136.8 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | trans | -149.7 | 132.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 379 | Y | 43.6 | Very low | 44.7 | Very low | 222 Ų | 222 | 141 Ų | 141 | 87% | 0.871 | 82% | 0.82 | S | S | * | * | trans | -83.3 | 153.8 | 174.8 | -75.3 | -112.7 | 0 | 0 | 0 | 111.2 | ||||
| 380 | C | 43 | Very low | 44.3 | Very low | 134 Ų | 134 | 140.8 Ų | 140.8 | 91% | 0.905 | 81% | 0.812 | S | S | * | * | trans | -155.9 | 141.9 | 132.1 | -132.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 381 | F | 41.6 | Very low | 44 | Very low | 193 Ų | 193 | 139.7 Ų | 139.7 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -99.8 | 148.5 | 177.1 | -125 | -99.4 | 0 | 0 | 0 | 109.8 | ||||
| 382 | G | 44.8 | Very low | 43.9 | Very low | 80 Ų | 80 | 142.6 Ų | 142.6 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | -147.7 | 75.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 383 | S | 44.3 | Very low | 43.6 | Very low | 100 Ų | 100 | 146.6 Ų | 146.6 | 70% | 0.699 | 82% | 0.817 | S | S | * | * | trans | -86.9 | 132.2 | 171.4 | -63.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 384 | M | 49.6 | Very low | 43.5 | Very low | 192 Ų | 192 | 146 Ų | 146 | 95% | 0.946 | 82% | 0.819 | S | S | * | * | trans | -147.4 | 134 | 140 | -80.9 | -145.7 | 171.9 | 0 | 0 | 111 | ||||
| 385 | Q | 42.4 | Very low | 43.6 | Very low | 179 Ų | 179 | 145.4 Ų | 145.4 | 84% | 0.836 | 82% | 0.823 | S | S | * | * | trans | -98.8 | 150.6 | 163.1 | -60.2 | 160.7 | -52.4 | 0 | 0 | 107.4 | ||||
| 386 | N | 45.4 | Very low | 44.1 | Very low | 142 Ų | 142 | 148.4 Ų | 148.4 | 76% | 0.759 | 82% | 0.823 | S | S | * | * | trans | -171.6 | 161 | 132.3 | -112.3 | -43.2 | 0 | 0 | 0 | 117.4 | ||||
| 387 | H | 47.4 | Very low | 44.7 | Very low | 162 Ų | 162 | 149.4 Ų | 149.4 | 75% | 0.75 | 82% | 0.821 | S | S | * | * | trans | 59.3 | 103.5 | 158.6 | -66.3 | -54.3 | 0 | 0 | 0 | 122.2 | ||||
| 388 | H | 39.7 | Very low | 44.8 | Very low | 169 Ų | 169 | 146.9 Ų | 146.9 | 78% | 0.782 | 82% | 0.817 | S | S | * | * | trans | -54.7 | 149.4 | 136.9 | -101.4 | -94 | 0 | 0 | 0 | 112.3 | ||||
| 389 | Q | 46.9 | Very low | 45.5 | Very low | 193 Ų | 193 | 147.2 Ų | 147.2 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | trans | -149.9 | 161.5 | 138.1 | -111.2 | 175.6 | 37.8 | 0 | 0 | 110.4 | ||||
| 390 | S | 40.1 | Very low | 45.6 | Very low | 96 Ų | 96 | 144.1 Ų | 144.1 | 67% | 0.671 | 81% | 0.812 | S | S | * | * | trans | -128.7 | 174.8 | -165.6 | -59.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 391 | S | 43.7 | Very low | 46.5 | Very low | 111 Ų | 111 | 143.8 Ų | 143.8 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | trans | 83.4 | 147.4 | -176.1 | 83.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 392 | H | 47.2 | Very low | 47.2 | Very low | 171 Ų | 171 | 140.3 Ų | 140.3 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | cis | -138.3 | 172.8 | 32.3 | -136.8 | -97.4 | 0 | 0 | 0 | 115.1 | ||||
| 393 | F | 41.5 | Very low | 47.7 | Very low | 205 Ų | 205 | 144.9 Ų | 144.9 | 90% | 0.899 | 81% | 0.807 | S | S | * | * | trans | -72.4 | 148.7 | 177.3 | -80.5 | -108.3 | 0 | 0 | 0 | 113.3 | ||||
| 394 | G | 41.8 | Very low | 48.6 | Very low | 73 Ų | 73 | 148.8 Ų | 148.8 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | trans | -154.7 | 120.6 | 164 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 395 | A | 44.7 | Very low | 48.9 | Very low | 102 Ų | 102 | 145.7 Ų | 145.7 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -98.7 | 146.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 396 | Y | 52.7 | Low | 49.6 | Very low | 224 Ų | 224 | 148 Ų | 148 | 88% | 0.878 | 81% | 0.808 | S | S | * | * | trans | -125.8 | 141.7 | 170 | -84.3 | -87.5 | 0 | 0 | 0 | 110.1 | ||||
| 397 | P | 55.3 | Low | 50.1 | Low | 119 Ų | 119 | 145.6 Ų | 145.6 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | -85.2 | 156.7 | -172.1 | 34.4 | -36.3 | 0 | 0 | 0 | 113.3 | ||||
| 398 | S | 42.1 | Very low | 50 | Low | 116 Ų | 116 | 147.2 Ų | 147.2 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | trans | -69.1 | 148.6 | 166.3 | -56 | 0 | 0 | 0 | 0 | 112 | ||||
| 399 | S | 57.6 | Low | 50.8 | Low | 109 Ų | 109 | 145.4 Ų | 145.4 | 76% | 0.762 | 82% | 0.816 | S | S | * | * | trans | -142.4 | 115.5 | 158.1 | 50 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 400 | D | 46.4 | Very low | 51.1 | Low | 157 Ų | 157 | 141.9 Ų | 141.9 | 84% | 0.84 | 81% | 0.81 | S | S | * | * | trans | -71.7 | 138.5 | -178.8 | -60.9 | -90 | 0 | 0 | 0 | 112.2 | ||||
| 401 | V | 61.8 | Low | 51.9 | Low | 126 Ų | 126 | 145.4 Ų | 145.4 | 76% | 0.764 | 82% | 0.82 | S | S | * | * | trans | -133.6 | 120.3 | 170.3 | -178.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 402 | P | 55.4 | Low | 52.5 | Low | 121 Ų | 121 | 145.4 Ų | 145.4 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 128.5 | -174.3 | 29.5 | -34.3 | 0 | 0 | 0 | 112.3 | K404 | P402-K404 PolarHBondContact O-N 3.14Š|
| 403 | L | 55.4 | Low | 52.2 | Low | 176 Ų | 176 | 142.1 Ų | 142.1 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 121.5 | 172.1 | -75.5 | 166.8 | 0 | 0 | 0 | 110.8 | ||
| 404 | K | 63.6 | Low | 52.4 | Low | 182 Ų | 182 | 143.2 Ų | 143.2 | 79% | 0.791 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 143.8 | 167.4 | -79.8 | -177.9 | 173.6 | 178.7 | 0 | 110.7 | P402 | P402-K404 PolarHBondContact O-N 3.14Š|
| 405 | P | 56.5 | Low | 52.4 | Low | 127 Ų | 127 | 142.9 Ų | 142.9 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -70 | 133.4 | 169.7 | 30.5 | -33.5 | 0 | 0 | 0 | 110 | ||
| 406 | Y | 56.5 | Low | 52.1 | Low | 227 Ų | 227 | 144 Ų | 144 | 89% | 0.89 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 137.1 | 166.4 | -97.1 | -88.4 | 0 | 0 | 0 | 110.1 | ||
| 407 | A | 55.1 | Low | 51.8 | Low | 91 Ų | 91 | 141.9 Ų | 141.9 | 75% | 0.752 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 165.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 408 | E | 45.3 | Very low | 51.3 | Low | 196 Ų | 196 | 140.3 Ų | 140.3 | 92% | 0.916 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 142.4 | 179 | -59.1 | 176.5 | 104.5 | 0 | 0 | 112.4 | ||
| 409 | V | 57.5 | Low | 51.4 | Low | 132 Ų | 132 | 146.2 Ų | 146.2 | 80% | 0.8 | 82% | 0.823 | S | S | * | * | trans | -122.8 | 123.6 | 168.8 | -179.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 410 | P | 52.4 | Low | 50.6 | Low | 118 Ų | 118 | 148.3 Ų | 148.3 | 77% | 0.766 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 142 | -175.5 | -21.3 | 33.2 | 0 | 0 | 0 | 113.4 | P412 | P410-P412 WeakPolarHBondContact O-CD 3.34Š|
| 411 | L | 56.6 | Low | 50.6 | Low | 170 Ų | 170 | 146.3 Ų | 146.3 | 89% | 0.89 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 124.5 | 168.9 | -73.4 | 169.2 | 0 | 0 | 0 | 110.4 | A413 | L411-A413 PolarHBondContact O-N 3.38Š|
| 412 | P | 56.6 | Low | 50.2 | Low | 112 Ų | 112 | 147.7 Ų | 147.7 | 73% | 0.727 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 124.1 | 170.5 | 29.5 | -32.4 | 0 | 0 | 0 | 109.8 | P410 Y414 | P410-P412 WeakPolarHBondContact O-CD 3.34Å; P412-Y414 PolarHBondContact O-N 2.85Å |
| 413 | A | 42.2 | Very low | 49.4 | Very low | 101 Ų | 101 | 153.6 Ų | 153.6 | 84% | 0.835 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 126.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | L411 | L411-A413 PolarHBondContact O-N 3.38Š|
| 414 | Y | 46.2 | Very low | 48.8 | Very low | 228 Ų | 228 | 154.8 Ų | 154.8 | 89% | 0.894 | 83% | 0.827 | S | S | * | * | trans | -123.1 | 130.9 | 166.4 | -114.1 | -93.1 | 0 | 0 | 0 | 110.6 | P412 | P412-Y414 PolarHBondContact O-N 2.85Š| ||
| 415 | G | 41 | Very low | 47.8 | Very low | 67 Ų | 67 | 155.5 Ų | 155.5 | 69% | 0.691 | 83% | 0.833 | S | S | * | * | trans | -90.1 | 178.1 | -165.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | L417 | G415-L417 PolarHBondContact O-N 3.31Š| ||
| 416 | S | 39.3 | Very low | 47.2 | Very low | 124 Ų | 124 | 154 Ų | 154 | 87% | 0.867 | 83% | 0.832 | S | S | * | * | trans | -47.8 | 124 | 176.9 | -50.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 417 | L | 45.6 | Very low | 46.3 | Very low | 180 Ų | 180 | 153.3 Ų | 153.3 | 94% | 0.942 | 83% | 0.834 | S | S | * | * | trans | -112.8 | 147.7 | 147 | -75.6 | 177.1 | 0 | 0 | 0 | 109 | G415 | G415-L417 PolarHBondContact O-N 3.31Š| ||
| 418 | A | 44.2 | Very low | 45.6 | Very low | 87 Ų | 87 | 153.9 Ų | 153.9 | 72% | 0.719 | 83% | 0.832 | S | S | * | * | trans | -127.7 | 157.7 | -164 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 419 | R | 44.1 | Very low | 45.4 | Very low | 240 Ų | 240 | 149.7 Ų | 149.7 | 91% | 0.906 | 82% | 0.82 | S | S | * | * | trans | 63.1 | 111.2 | 169.5 | -61.4 | 175.9 | 171.5 | 176.8 | -2.7 | 116.3 | ||||
| 420 | D | 42.4 | Very low | 44.6 | Very low | 152 Ų | 152 | 151.6 Ų | 151.6 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | trans | -140.4 | 117 | 141 | -114.4 | -37.9 | 0 | 0 | 0 | 109.9 | ||||
| 421 | P | 45 | Very low | 43.9 | Very low | 115 Ų | 115 | 151 Ų | 151 | 75% | 0.747 | 82% | 0.819 | S | S | * | * | trans | -112.6 | 78.8 | -176.8 | 38.6 | -29.5 | 0 | 0 | 0 | 112.9 | ||||
| 422 | I | 52.7 | Low | 43.1 | Very low | 156 Ų | 156 | 152 Ų | 152 | 80% | 0.8 | 82% | 0.817 | S | S | * | * | trans | -100.8 | 93.3 | 173.8 | -56.5 | -176.7 | 0 | 0 | 0 | 110.5 | ||||
| 423 | W | 39.1 | Very low | 42.3 | Very low | 245 Ų | 245 | 158 Ų | 158 | 93% | 0.928 | 83% | 0.825 | S | S | * | * | trans | -146.1 | 82.4 | 172 | -128.1 | 76.4 | 0 | 0 | 0 | 110.5 | ||||
| 424 | K | 44 | Very low | 42.2 | Very low | 201 Ų | 201 | 163.1 Ų | 163.1 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | trans | -165.1 | 98.4 | 174.2 | -117.6 | 176 | -177.3 | -177.7 | 0 | 112.6 | ||||
| 425 | Q | 42.8 | Very low | 42 | Very low | 197 Ų | 197 | 160.6 Ų | 160.6 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | trans | 168.8 | 167.1 | 142.5 | -95 | 170 | -4.3 | 0 | 0 | 109.9 | ||||
| 426 | A | 43.4 | Very low | 42.3 | Very low | 96 Ų | 96 | 162.1 Ų | 162.1 | 79% | 0.793 | 82% | 0.816 | S | S | * | * | trans | 71.5 | 55.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 427 | F | 37.9 | Very low | 42.4 | Very low | 212 Ų | 212 | 160.7 Ų | 160.7 | 93% | 0.93 | 81% | 0.806 | S | S | * | * | trans | -139.6 | 103.5 | 148.3 | -95 | -72 | 0 | 0 | 0 | 110.2 | ||||
| 428 | S | 40.4 | Very low | 42.2 | Very low | 102 Ų | 102 | 159.5 Ų | 159.5 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | trans | -158.2 | 153 | 161.5 | -163.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 429 | T | 40.6 | Very low | 42.1 | Very low | 108 Ų | 108 | 158.9 Ų | 158.9 | 66% | 0.663 | 78% | 0.781 | S | S | * | * | trans | 19.8 | 115.1 | 146.7 | 53.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 430 | E | 39.7 | Very low | 41.9 | Very low | 172 Ų | 172 | 149.4 Ų | 149.4 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | 176.7 | 175.1 | 51.7 | -100.9 | 157.9 | 99.2 | 0 | 0 | 108.2 | |||||
| 431 | S | 38.7 | Very low | 41.9 | Very low | 106 Ų | 106 | 145.6 Ų | 145.6 | 74% | 0.741 | 75% | 0.747 | S | S | * | * | cis | -153 | 166.8 | -6.3 | -128 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 432 | F | 38.5 | Very low | 41.9 | Very low | 192 Ų | 192 | 149 Ų | 149 | 84% | 0.842 | 75% | 0.751 | S | S | * | * | trans | -95.7 | 125.4 | 179.3 | -114.3 | -103.8 | 0 | 0 | 0 | 112.6 | ||||
| 433 | R | 40.6 | Very low | 41.2 | Very low | 238 Ų | 238 | 147.6 Ų | 147.6 | 90% | 0.898 | 76% | 0.755 | S | S | * | * | trans | 175.7 | 130.5 | 156.6 | -95.1 | 148.7 | -165.4 | -162.6 | 5.2 | 106.4 | ||||
| 434 | R | 41.3 | Very low | 41.3 | Very low | 208 Ų | 208 | 140.3 Ų | 140.3 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | cis | 54.5 | 103.4 | 41.9 | -66.2 | -164.3 | -177.9 | -163.9 | 4 | 113.5 | ||||
| 435 | H | 41 | Very low | 41.4 | Very low | 175 Ų | 175 | 138.1 Ų | 138.1 | 81% | 0.81 | 75% | 0.749 | S | S | * | * | -175.5 | 171.6 | 105.3 | -103.6 | -92.5 | 0 | 0 | 0 | 110.9 | |||||
| 436 | P | 47 | Very low | 41.5 | Very low | 98 Ų | 98 | 132.3 Ų | 132.3 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | trans | -116.8 | 174.6 | -161.9 | 42.3 | -34.5 | 0 | 0 | 0 | 116.9 | ||||
| 437 | S | 41.4 | Very low | 41.5 | Very low | 95 Ų | 95 | 133.1 Ų | 133.1 | 66% | 0.664 | 75% | 0.75 | S | S | * | * | trans | 55.8 | 111.1 | 145.4 | 61.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 438 | F | 41 | Very low | 42.2 | Very low | 154 Ų | 154 | 126.4 Ų | 126.4 | 68% | 0.675 | 74% | 0.74 | S | S | * | * | trans | -162.5 | 141.2 | 132.8 | -124.4 | -128.6 | 0 | 0 | 0 | 107.6 | F253 | F253-F438 HydrophobicContact CB-CE1 4.28Å; F253-F438 WeakPolarHBondContact O-CD1 3.34Å | ||
| 439 | V | 43.6 | Very low | 42.5 | Very low | 74 Ų | 74 | 128.8 Ų | 128.8 | 45% | 0.448 | 75% | 0.745 | S | S | . | * | cis | 94.4 | 87.9 | 11.1 | -168.1 | 0 | 0 | 0 | 0 | 113.4 | V250 N252 F253 | V250-V439 HydrophobicContact CG1-CG1 4.32Å; N252-V439 CarbonylContact C-O 3.53Å; N252-V439 WeakPolarHBondContact CA-O 3.24Å; N252-V439 HydrophobicContact CB-CG1 4.09Å; N252-V439 WeakPolarHBondContact OD1-CG1 3.16Å; F253-V439 PolarHBondContact N-O 3.45Å | ||
| 440 | G | 39.5 | Very low | 43.3 | Very low | 41 Ų | 41 | 135.1 Ų | 135.1 | 42% | 0.423 | 76% | 0.758 | S | S | . | * | trans | -136.6 | 159.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | N252 | N252-G440 PolarHBondContact ND2-O 3.2Å; N252-G440 VanDerWaalsContact OD1-CA 3.25Å; N252-G440 WeakPolarHBondContact OD1-CA 3.3Å; N252-G440 PolarHBondContact OD1-N 2.78Å; N252-G440 PolarHBondContact OD1-O 3.37Å | ||
| 441 | A | 42.7 | Very low | 44.2 | Very low | 72 Ų | 72 | 135.5 Ų | 135.5 | 60% | 0.595 | 76% | 0.76 | S | S | * | * | trans | -101.1 | 175.2 | -150.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | N252 | N252-A441 HydrophobicContact CB-CB 4.15Å; N252-A441 WeakPolarHBondContact ND2-CA 3.47Å; N252-A441 WeakPolarHBondContact O-CB 3.38Å | ||
| 442 | F | 43.3 | Very low | 44.6 | Very low | 188 Ų | 188 | 138.4 Ų | 138.4 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | trans | -84.1 | 164.5 | -175.6 | -86.9 | -106.9 | 0 | 0 | 0 | 114.9 | ||||
| 443 | S | 38.6 | Very low | 45.5 | Very low | 126 Ų | 126 | 138.3 Ų | 138.3 | 88% | 0.881 | 76% | 0.763 | S | S | * | * | trans | -147.4 | 159.4 | 137 | -80.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 444 | A | 42 | Very low | 45.7 | Very low | 91 Ų | 91 | 132 Ų | 132 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | trans | -128.9 | 158.2 | -161.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 445 | V | 45.7 | Very low | 46.1 | Very low | 155 Ų | 155 | 127.1 Ų | 127.1 | 94% | 0.939 | 76% | 0.759 | S | S | * | * | trans | -164.9 | 143.6 | 145.8 | 159.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 446 | G | 44.2 | Very low | 46.3 | Very low | 76 Ų | 76 | 123.9 Ų | 123.9 | 78% | 0.784 | 76% | 0.757 | S | S | * | * | trans | 131.3 | 109.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 447 | A | 43.2 | Very low | 46.6 | Very low | 113 Ų | 113 | 128.5 Ų | 128.5 | 93% | 0.934 | 77% | 0.772 | S | S | * | * | trans | -112.1 | 159.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 448 | G | 52.5 | Low | 46.8 | Very low | 71 Ų | 71 | 128.7 Ų | 128.7 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | trans | -179.1 | 123.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 449 | D | 47.1 | Very low | 47.3 | Very low | 151 Ų | 151 | 126 Ų | 126 | 81% | 0.807 | 79% | 0.786 | S | S | * | * | trans | -83.4 | 153.8 | -169.3 | -51.6 | -90.1 | 0 | 0 | 0 | 114.1 | ||||
| 450 | Y | 58.1 | Low | 47.6 | Very low | 241 Ų | 241 | 127.2 Ų | 127.2 | 95% | 0.945 | 80% | 0.803 | S | S | * | * | trans | -144.4 | 133.8 | 158.4 | -104.4 | -79.9 | 0 | 0 | 0 | 111.6 | ||||
| 451 | H | 59 | Low | 48.1 | Very low | 180 Ų | 180 | 129.3 Ų | 129.3 | 83% | 0.833 | 83% | 0.825 | S | S | * | * | trans | -79.1 | 147.6 | -172.9 | -97.2 | -102.3 | 0 | 0 | 0 | 114.2 | ||||
| 452 | H | 47.2 | Very low | 48.5 | Very low | 167 Ų | 167 | 129.4 Ų | 129.4 | 77% | 0.773 | 83% | 0.833 | S | S | * | * | trans | -87.6 | 144.8 | 167.9 | -122.4 | -89.1 | 0 | 0 | 0 | 111.1 | ||||
| 453 | H | 56.8 | Low | 48.8 | Very low | 190 Ų | 190 | 131.5 Ų | 131.5 | 88% | 0.88 | 84% | 0.837 | S | S | * | * | trans | -136.9 | 135.4 | 156.7 | -103.3 | -76.4 | 0 | 0 | 0 | 109.8 | ||||
| 454 | S | 43.7 | Very low | 49.7 | Very low | 105 Ų | 105 | 134.3 Ų | 134.3 | 73% | 0.734 | 84% | 0.839 | S | S | * | * | trans | -148.9 | 137.1 | 178.8 | 50.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 455 | A | 50.4 | Low | 50.3 | Low | 106 Ų | 106 | 139.9 Ų | 139.9 | 88% | 0.876 | 84% | 0.84 | S | S | * | * | trans | -124.6 | 131.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 456 | S | 45.8 | Very low | 50.6 | Low | 108 Ų | 108 | 139.5 Ų | 139.5 | 76% | 0.755 | 83% | 0.828 | S | S | * | * | trans | -107.8 | 154.9 | 178.1 | -51.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 457 | M | 53.7 | Low | 51.1 | Low | 194 Ų | 194 | 140.8 Ų | 140.8 | 96% | 0.956 | 82% | 0.822 | S | S | * | * | trans | -142.9 | 157.5 | 150.2 | -83.8 | -60.7 | 165.4 | 0 | 0 | 108.5 | ||||
| 458 | A | 44 | Very low | 51.4 | Low | 99 Ų | 99 | 139.9 Ų | 139.9 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -145.5 | -162.7 | -164.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 459 | A | 52.4 | Low | 51.8 | Low | 99 Ų | 99 | 143.8 Ų | 143.8 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | 87.4 | 149 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 460 | A | 49.8 | Very low | 52.5 | Low | 98 Ų | 98 | 142.6 Ų | 142.6 | 81% | 0.81 | 82% | 0.822 | S | S | * | * | cis | -168.2 | 157.3 | -22.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 461 | G | 50.1 | Low | 52.2 | Low | 85 Ų | 85 | 138.4 Ų | 138.4 | 88% | 0.876 | 82% | 0.816 | S | S | * | * | trans | 80.2 | 157.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 462 | G | 51.3 | Low | 52.7 | Low | 74 Ų | 74 | 135.6 Ų | 135.6 | 76% | 0.763 | 81% | 0.814 | S | S | * | * | cis | -174.1 | 145.4 | -6.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 463 | Y | 49.3 | Very low | 53.4 | Low | 233 Ų | 233 | 133.5 Ų | 133.5 | 91% | 0.914 | 81% | 0.813 | S | S | * | * | trans | -22 | 142.8 | 175.7 | -59.8 | -95 | 0 | 0 | 0 | 122.3 | ||||
| 464 | M | 58.2 | Low | 53.5 | Low | 185 Ų | 185 | 133.3 Ų | 133.3 | 91% | 0.911 | 81% | 0.814 | S | S | * | * | -169.3 | -178.8 | 121.7 | -107.2 | -57.7 | 173.4 | 0 | 0 | 114.8 | |||||
| 465 | R | 53.1 | Low | 53.8 | Low | 208 Ų | 208 | 135.5 Ų | 135.5 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | trans | -147.7 | 169.6 | -160.6 | -93.8 | -176.8 | 173.1 | -150.1 | 11.1 | 112.6 | ||||
| 466 | Q | 51.7 | Low | 53.5 | Low | 146 Ų | 146 | 136.4 Ų | 136.4 | 68% | 0.682 | 81% | 0.808 | S | S | * | * | cis | -138.1 | -73.4 | 3.5 | -149.2 | 172.3 | -96 | 0 | 0 | 118.1 | ||||
| 467 | P | 55.8 | Low | 53.8 | Low | 103 Ų | 103 | 136 Ų | 136 | 67% | 0.669 | 81% | 0.811 | S | S | * | * | trans | -133.7 | 150.9 | -135 | 40.7 | -23.4 | 0 | 0 | 0 | 120.4 | ||||
| 468 | A | 50 | Low | 53.3 | Low | 94 Ų | 94 | 134.1 Ų | 134.1 | 78% | 0.777 | 81% | 0.805 | S | S | * | * | trans | 41.7 | 129.6 | 136.9 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 469 | V | 61.2 | Low | 53.9 | Low | 153 Ų | 153 | 137.1 Ų | 137.1 | 93% | 0.927 | 80% | 0.802 | S | S | * | * | trans | -132.7 | 154.3 | 150 | 179.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 470 | V | 61 | Low | 53.8 | Low | 126 Ų | 126 | 140.9 Ų | 140.9 | 76% | 0.764 | 80% | 0.802 | S | S | * | * | trans | -117.2 | 141.4 | -163.2 | 176.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 471 | D | 51.2 | Low | 53.6 | Low | 154 Ų | 154 | 141.3 Ų | 141.3 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 138 | 170.6 | -83.8 | -49.1 | 0 | 0 | 0 | 112.8 | ||
| 472 | P | 69.8 | Low | 53.8 | Low | 121 Ų | 121 | 143.8 Ų | 143.8 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 119.3 | 164.4 | 33.4 | -28.4 | 0 | 0 | 0 | 111.9 | ||
| 473 | V | 60.9 | Low | 53.9 | Low | 122 Ų | 122 | 145.8 Ų | 145.8 | 74% | 0.739 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 145.3 | 166.1 | 171.3 | 0 | 0 | 0 | 0 | 110.1 | Q475 | V473-Q475 HydrophobicContact CG1-CB 4.28Š|
| 474 | M | 59.7 | Low | 54.1 | Low | 186 Ų | 186 | 141.8 Ų | 141.8 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | trans | -131.3 | 128.1 | 166.4 | -121.8 | -67.2 | 166.6 | 0 | 0 | 109.3 | ||||
| 475 | Q | 50.8 | Low | 54.1 | Low | 151 Ų | 151 | 139.5 Ų | 139.5 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | -150.5 | 153.9 | -167.5 | -143.7 | -178.2 | -2 | 0 | 0 | 111.5 | V473 | V473-Q475 HydrophobicContact CG1-CB 4.28Š| ||
| 476 | T | 44.2 | Very low | 54.4 | Low | 125 Ų | 125 | 137.2 Ų | 137.2 | 77% | 0.767 | 77% | 0.773 | S | S | * | * | trans | 54.5 | 118.1 | 165 | 50.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 477 | A | 50.8 | Low | 54.7 | Low | 99 Ų | 99 | 142.2 Ų | 142.2 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -159.7 | 89.5 | 142.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 478 | D | 44.3 | Very low | 54.7 | Low | 156 Ų | 156 | 144.2 Ų | 144.2 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | trans | -102 | 113.4 | 167.2 | -81.6 | -64.5 | 0 | 0 | 0 | 109.5 | ||||
| 479 | H | 56.6 | Low | 54.9 | Low | 162 Ų | 162 | 146.8 Ų | 146.8 | 75% | 0.75 | 81% | 0.812 | S | S | * | * | trans | -142.9 | 110.1 | 163.8 | -89.6 | -87.8 | 0 | 0 | 0 | 107.5 | ||||
| 480 | Q | 49.2 | Very low | 54.6 | Low | 177 Ų | 177 | 146.5 Ų | 146.5 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | 85.2 | 138.3 | 85.1 | -82.6 | -173.6 | -18.1 | 0 | 0 | 113.7 | |||||
| 481 | S | 45.2 | Very low | 54.2 | Low | 107 Ų | 107 | 147.7 Ų | 147.7 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | trans | -120.1 | 118.3 | -162.8 | 55.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 482 | V | 56.1 | Low | 54.4 | Low | 138 Ų | 138 | 147.3 Ų | 147.3 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | trans | -146.7 | 115.8 | 163.5 | -171.8 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 483 | V | 52 | Low | 53.4 | Low | 116 Ų | 116 | 149.1 Ų | 149.1 | 70% | 0.703 | 81% | 0.808 | S | S | * | * | cis | 81.7 | 130.8 | 45.6 | -179.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 484 | L | 54.1 | Low | 52.8 | Low | 149 Ų | 149 | 151 Ų | 151 | 78% | 0.78 | 81% | 0.813 | S | S | * | * | trans | 72.7 | 158.4 | -173.4 | -53.1 | 163.2 | 0 | 0 | 0 | 116.6 | ||||
| 485 | Q | 57.6 | Low | 52.3 | Low | 136 Ų | 136 | 148.3 Ų | 148.3 | 64% | 0.636 | 81% | 0.806 | S | S | * | * | cis | -167.2 | 147.6 | -40.6 | -176 | 154.5 | -7.5 | 0 | 0 | 109.3 | ||||
| 486 | Q | 59.5 | Low | 52.4 | Low | 161 Ų | 161 | 148.1 Ų | 148.1 | 75% | 0.752 | 81% | 0.814 | S | S | * | * | trans | 49.5 | 109.4 | 160.1 | -76.8 | 159.1 | -20.2 | 0 | 0 | 119.8 | ||||
| 487 | L | 59.4 | Low | 53.2 | Low | 251 Ų | 251 | 150.2 Ų | 150.2 | 100% | 1.314 | 82% | 0.818 | S | S | * | * | -143.7 | 0 | 106.5 | -106.1 | 168.9 | 0 | 0 | 0 | 109.6 |
Retrieved 487 of 487 residues in 79.7 ms
(Link to these results)