| 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 | 56.4 | Low | 58.7 | Low | 235 Ų | 235 | 119.8 Ų | 119.8 | 100% | 1.158 | 65% | 0.647 | S | S | * | * | 0 | -0.9 | 0 | -75.6 | 175.2 | 150.3 | 0 | 0 | 114.2 | |||||
| 2 | T | 60.3 | Low | 58.9 | Low | 122 Ų | 122 | 114.7 Ų | 114.7 | 75% | 0.748 | 63% | 0.627 | S | S | * | * | trans | -85.4 | -20.7 | -176.2 | 16.1 | 0 | 0 | 0 | 0 | 115.9 | S6 | T2-S6 PolarHBondContact O-OG 3.49Š| ||
| 3 | M | 54.6 | Low | 59.2 | Low | 162 Ų | 162 | 116.1 Ų | 116.1 | 80% | 0.798 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -74.4 | -25.5 | -175.8 | -68.6 | -67.4 | -172.6 | 0 | 0 | 114.5 | S5 S6 H7 | M3-S5 VanDerWaalsContact C-N 3.33Å; M3-S5 PolarHBondContact O-N 2.99Å; M3-S6 PolarHBondContact O-OG 2.76Å; M3-H7 PolarHBondContact O-N 3.41Å |
| 4 | A | 57.1 | Low | 60 | Low | 77 Ų | 77 | 115.2 Ų | 115.2 | 64% | 0.636 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -70.6 | -29.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S8 | A4-S8 PolarHBondContact O-N 3.42Å |
| 5 | S | 58.6 | Low | 60.1 | Low | 89 Ų | 89 | 115.7 Ų | 115.7 | 62% | 0.622 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -74 | -36 | -179.4 | -164.4 | 0 | 0 | 0 | 0 | 112.2 | M3 S8 R9 | M3-S5 VanDerWaalsContact C-N 3.33Å; M3-S5 PolarHBondContact O-N 2.99Å; S5-S8 PolarHBondContact O-N 2.86Å; S5-R9 PolarHBondContact O-N 3.22Å |
| 6 | S | 56.1 | Low | 60.7 | Low | 62 Ų | 62 | 113 Ų | 113 | 43% | 0.434 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -66.1 | -38.6 | 175.5 | -5.7 | 0 | 0 | 0 | 0 | 112.1 | T2 M3 R9 M10 | T2-S6 PolarHBondContact O-OG 3.49Å; M3-S6 PolarHBondContact O-OG 2.76Å; S6-R9 PolarHBondContact O-N 3.47Å; S6-M10 PolarHBondContact O-N 3.48Å; S6-M10 VanDerWaalsContact O-N 3.07Å |
| 7 | H | 58.4 | Low | 60.8 | Low | 116 Ų | 116 | 110.6 Ų | 110.6 | 54% | 0.537 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -68.6 | -42.9 | 178.6 | -152.7 | -88.4 | 0 | 0 | 0 | 111.4 | M3 R9 M10 E11 | M3-H7 PolarHBondContact O-N 3.41Å; H7-R9 VanDerWaalsContact C-N 3.32Å; H7-R9 PolarHBondContact O-N 3.36Å; H7-M10 PolarHBondContact O-N 3.03Å; H7-E11 WeakPolarHBondContact O-CB 3.33Å; H7-E11 PolarHBondContact O-N 3.17Å |
| 8 | S | 60.8 | Low | 61.3 | Low | 83 Ų | 83 | 108.6 Ų | 108.6 | 58% | 0.58 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62 | -38.2 | 175.3 | -174.4 | 0 | 0 | 0 | 0 | 112.4 | A4 S5 E11 S12 | A4-S8 PolarHBondContact O-N 3.42Å; S5-S8 PolarHBondContact O-N 2.86Å; S8-E11 PolarHBondContact O-N 3.45Å; S8-S12 PolarHBondContact O-N 3.13Å; S8-S12 PolarHBondContact O-OG 3.06Å |
| 9 | R | 60.7 | Low | 61.2 | Low | 179 Ų | 179 | 105.9 Ų | 105.9 | 68% | 0.675 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -67.1 | -44.1 | 176.8 | -158.4 | 168.9 | -171 | 158.3 | 0.8 | 111.9 | S5 S6 H7 E11 S12 F13 | S5-R9 PolarHBondContact O-N 3.22Å; S6-R9 PolarHBondContact O-N 3.47Å; H7-R9 VanDerWaalsContact C-N 3.32Å; H7-R9 PolarHBondContact O-N 3.36Å; R9-E11 VanDerWaalsContact C-N 3.35Å; R9-E11 PolarHBondContact O-N 3.07Å; R9-S12 PolarHBondContact O-N 3.41Å; R9-S12 PolarHBondContact O-OG 3.24Å; R9-F13 HydrophobicContact CG-CD2 4.38Å; R9-F13 HydrophobicContact CG-CE2 4.36Å; R9-F13 WeakPolarHBondContact O-CD2 3.46Å; R9-F13 PolarHBondContact O-N 3.03Å |
| 10 | M | 58 | Low | 61.1 | Low | 107 Ų | 107 | 103.3 Ų | 103.3 | 53% | 0.527 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.5 | -38.5 | 174.9 | -77.2 | -169.3 | -60.8 | 0 | 0 | 112.5 | S6 H7 S12 F13 K14 | S6-M10 PolarHBondContact O-N 3.48Å; S6-M10 VanDerWaalsContact O-N 3.07Å; H7-M10 PolarHBondContact O-N 3.03Å; M10-S12 VanDerWaalsContact C-N 3.33Å; M10-S12 PolarHBondContact O-N 2.91Å; M10-F13 PolarHBondContact O-N 3.24Å; M10-K14 WeakPolarHBondContact O-CG 3.33Å; M10-K14 PolarHBondContact O-N 2.91Å |
| 11 | E | 65.2 | Low | 61 | Low | 86 Ų | 86 | 101.4 Ų | 101.4 | 40% | 0.402 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.3 | -35.9 | 178 | -139.7 | 62.7 | -162.5 | 0 | 0 | 111.8 | H7 S8 R9 K14 Q15 | H7-E11 WeakPolarHBondContact O-CB 3.33Å; H7-E11 PolarHBondContact O-N 3.17Å; S8-E11 PolarHBondContact O-N 3.45Å; R9-E11 VanDerWaalsContact C-N 3.35Å; R9-E11 PolarHBondContact O-N 3.07Å; E11-K14 PolarHBondContact O-N 3.39Å; E11-K14 IonicContact OE1-NZ 3.67Å; E11-K14 IonicContact OE2-NZ 2.86Å; E11-K14 PolarHBondContact OE2-NZ 3.44Å; E11-Q15 PolarHBondContact O-N 3.06Å |
| 12 | S | 60.7 | Low | 61.1 | Low | 58 Ų | 58 | 97.2 Ų | 97.2 | 41% | 0.406 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.9 | -39.4 | 171.6 | 71.5 | 0 | 0 | 0 | 0 | 112.4 | S8 R9 M10 Q15 V16 | S8-S12 PolarHBondContact O-N 3.13Å; S8-S12 PolarHBondContact O-OG 3.06Å; R9-S12 PolarHBondContact O-N 3.41Å; R9-S12 PolarHBondContact O-OG 3.24Å; M10-S12 VanDerWaalsContact C-N 3.33Å; M10-S12 PolarHBondContact O-N 2.91Å; S12-Q15 PolarHBondContact O-N 3.41Å; S12-V16 WeakPolarHBondContact O-CB 3.29Å; S12-V16 VanDerWaalsContact O-CG2 3.24Å; S12-V16 WeakPolarHBondContact O-CG2 3.42Å; S12-V16 PolarHBondContact O-N 3.49Å |
| 13 | F | 63.3 | Low | 60.7 | Low | 133 Ų | 133 | 95 Ų | 95 | 58% | 0.583 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.1 | -41 | 174.7 | -94.5 | -80 | 0 | 0 | 0 | 112.1 | R9 M10 T17 | R9-F13 HydrophobicContact CG-CD2 4.38Å; R9-F13 HydrophobicContact CG-CE2 4.36Å; R9-F13 WeakPolarHBondContact O-CD2 3.46Å; R9-F13 PolarHBondContact O-N 3.03Å; M10-F13 PolarHBondContact O-N 3.24Å; F13-T17 WeakPolarHBondContact O-CB 3.33Å; F13-T17 PolarHBondContact O-N 3.05Å; F13-T17 PolarHBondContact O-OG1 3.21Å |
| 14 | K | 69.3 | Low | 60.6 | Low | 104 Ų | 104 | 88.8 Ų | 88.8 | 45% | 0.452 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.4 | -45.9 | 174.9 | -69.6 | 176 | -167.1 | 160.8 | 0 | 111.3 | M10 E11 T17 I18 | M10-K14 WeakPolarHBondContact O-CG 3.33Å; M10-K14 PolarHBondContact O-N 2.91Å; E11-K14 PolarHBondContact O-N 3.39Å; E11-K14 IonicContact OE1-NZ 3.67Å; E11-K14 IonicContact OE2-NZ 2.86Å; E11-K14 PolarHBondContact OE2-NZ 3.44Å; K14-T17 PolarHBondContact O-N 3.47Å; K14-I18 VanDerWaalsContact O-CG1 3.29Å; K14-I18 WeakPolarHBondContact O-CG1 3.45Å; K14-I18 PolarHBondContact O-N 3.07Å |
| 15 | Q | 62.5 | Low | 60.4 | Low | 122 Ų | 122 | 91 Ų | 91 | 57% | 0.57 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -66 | -39.3 | 179.9 | -79 | -73.5 | 53.5 | 0 | 0 | 112.9 | E11 S12 T17 I18 A19 | E11-Q15 PolarHBondContact O-N 3.06Å; S12-Q15 PolarHBondContact O-N 3.41Å; Q15-T17 VanDerWaalsContact C-N 3.33Å; Q15-I18 PolarHBondContact O-N 3.49Å; Q15-A19 VanDerWaalsContact O-CB 3.29Å; Q15-A19 WeakPolarHBondContact O-CB 3.44Å; Q15-A19 PolarHBondContact O-N 3.41Å |
| 16 | V | 68.8 | Low | 60.3 | Low | 73 Ų | 73 | 92 Ų | 92 | 44% | 0.442 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.2 | -41.2 | 173 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | S12 A19 N20 | S12-V16 WeakPolarHBondContact O-CB 3.29Å; S12-V16 VanDerWaalsContact O-CG2 3.24Å; S12-V16 WeakPolarHBondContact O-CG2 3.42Å; S12-V16 PolarHBondContact O-N 3.49Å; V16-A19 PolarHBondContact O-N 2.96Å; V16-N20 WeakPolarHBondContact O-CB 3.4Å; V16-N20 PolarHBondContact O-N 3.2Å; V16-N20 PolarHBondContact O-ND2 3.34Å; V16-N20 VanDerWaalsContact O-ND2 3.13Å |
| 17 | T | 62.7 | Low | 60.1 | Low | 73 Ų | 73 | 95 Ų | 95 | 45% | 0.448 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.3 | -44.7 | 178.3 | -52.7 | 0 | 0 | 0 | 0 | 111.6 | F13 K14 Q15 N20 L21 | F13-T17 WeakPolarHBondContact O-CB 3.33Å; F13-T17 PolarHBondContact O-N 3.05Å; F13-T17 PolarHBondContact O-OG1 3.21Å; K14-T17 PolarHBondContact O-N 3.47Å; Q15-T17 VanDerWaalsContact C-N 3.33Å; T17-N20 PolarHBondContact O-N 2.95Å; T17-L21 HydrophobicContact CG2-CD1 3.79Å; T17-L21 WeakPolarHBondContact O-CB 3.43Å; T17-L21 WeakPolarHBondContact O-CD1 3.35Å; T17-L21 WeakPolarHBondContact O-CG 3.44Å; T17-L21 PolarHBondContact O-N 3.35Å |
| 18 | I | 70.3 | Confident | 59.7 | Low | 74 Ų | 74 | 92.6 Ų | 92.6 | 38% | 0.379 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.2 | -43.2 | 177.6 | -67.8 | 165.9 | 0 | 0 | 0 | 111.1 | K14 Q15 N20 L21 K22 | K14-I18 VanDerWaalsContact O-CG1 3.29Å; K14-I18 WeakPolarHBondContact O-CG1 3.45Å; K14-I18 PolarHBondContact O-N 3.07Å; Q15-I18 PolarHBondContact O-N 3.49Å; I18-N20 VanDerWaalsContact C-N 3.34Å; I18-N20 PolarHBondContact O-N 3.49Å; I18-L21 PolarHBondContact O-N 2.96Å; I18-K22 HydrophobicContact CG2-CD 4.11Å; I18-K22 HydrophobicContact CG2-CG 4.48Å; I18-K22 WeakPolarHBondContact O-CB 3.47Å; I18-K22 WeakPolarHBondContact O-CG 3.26Å; I18-K22 PolarHBondContact O-N 3.38Å |
| 19 | A | 60 | Low | 59 | Low | 58 Ų | 58 | 94 Ų | 94 | 48% | 0.479 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.7 | -40.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q15 V16 K22 C23 | Q15-A19 VanDerWaalsContact O-CB 3.29Å; Q15-A19 WeakPolarHBondContact O-CB 3.44Å; Q15-A19 PolarHBondContact O-N 3.41Å; V16-A19 PolarHBondContact O-N 2.96Å; A19-K22 PolarHBondContact O-N 2.88Å; A19-C23 WeakPolarHBondContact O-CB 3.47Å; A19-C23 PolarHBondContact O-N 2.96Å |
| 20 | N | 58.2 | Low | 58.2 | Low | 53 Ų | 53 | 91.4 Ų | 91.4 | 28% | 0.283 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.9 | -44.3 | 175.9 | -71.7 | -24.8 | 0 | 0 | 0 | 112.4 | V16 T17 I18 K22 C23 V24 L115 | V16-N20 WeakPolarHBondContact O-CB 3.4Å; V16-N20 PolarHBondContact O-N 3.2Å; V16-N20 PolarHBondContact O-ND2 3.34Å; V16-N20 VanDerWaalsContact O-ND2 3.13Å; T17-N20 PolarHBondContact O-N 2.95Å; I18-N20 VanDerWaalsContact C-N 3.34Å; I18-N20 PolarHBondContact O-N 3.49Å; N20-K22 VanDerWaalsContact C-N 3.34Å; N20-K22 PolarHBondContact O-N 3.22Å; N20-C23 PolarHBondContact O-N 3.47Å; N20-V24 WeakPolarHBondContact O-CB 3.37Å; N20-V24 VanDerWaalsContact O-CG2 3.25Å; N20-V24 WeakPolarHBondContact O-CG2 3.34Å; N20-V24 PolarHBondContact O-N 3.23Å; N20-L115 WeakPolarHBondContact ND2-CD2 3.49Å; N20-L115 WeakPolarHBondContact OD1-CD2 3.37Å |
| 21 | L | 58.8 | Low | 57.4 | Low | 64 Ų | 64 | 91.4 Ų | 91.4 | 34% | 0.335 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.3 | -43.5 | 175.4 | -82.9 | 150.4 | 0 | 0 | 0 | 111.3 | T17 I18 V24 I25 | T17-L21 HydrophobicContact CG2-CD1 3.79Å; T17-L21 WeakPolarHBondContact O-CB 3.43Å; T17-L21 WeakPolarHBondContact O-CD1 3.35Å; T17-L21 WeakPolarHBondContact O-CG 3.44Å; T17-L21 PolarHBondContact O-N 3.35Å; I18-L21 PolarHBondContact O-N 2.96Å; L21-V24 PolarHBondContact O-N 2.98Å; L21-I25 WeakPolarHBondContact O-CD1 3.29Å; L21-I25 WeakPolarHBondContact O-CG1 3.38Å; L21-I25 PolarHBondContact O-N 3.39Å; L21-I25 VanDerWaalsContact O-N 3.13Å |
| 22 | K | 58.6 | Low | 56.4 | Low | 146 Ų | 146 | 92.8 Ų | 92.8 | 64% | 0.635 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.7 | -39 | 177.6 | -75 | -178.6 | 177.5 | -177.5 | 0 | 112.5 | I18 A19 N20 V26 | I18-K22 HydrophobicContact CG2-CD 4.11Å; I18-K22 HydrophobicContact CG2-CG 4.48Å; I18-K22 WeakPolarHBondContact O-CB 3.47Å; I18-K22 WeakPolarHBondContact O-CG 3.26Å; I18-K22 PolarHBondContact O-N 3.38Å; A19-K22 PolarHBondContact O-N 2.88Å; N20-K22 VanDerWaalsContact C-N 3.34Å; N20-K22 PolarHBondContact O-N 3.22Å; K22-V26 WeakPolarHBondContact O-CG2 3.24Å |
| 23 | C | 51.2 | Low | 55.3 | Low | 75 Ų | 75 | 97.9 Ų | 97.9 | 51% | 0.507 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -71.3 | -35.7 | 179.5 | -160 | 0 | 0 | 0 | 0 | 112.7 | A19 N20 V26 | A19-C23 WeakPolarHBondContact O-CB 3.47Å; A19-C23 PolarHBondContact O-N 2.96Å; N20-C23 PolarHBondContact O-N 3.47Å; C23-V26 WeakPolarHBondContact O-CG2 3.38Å |
| 24 | V | 53 | Low | 54.4 | Low | 33 Ų | 33 | 97.9 Ų | 97.9 | 20% | 0.2 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -71.7 | -33.5 | 177.2 | 174.2 | 0 | 0 | 0 | 0 | 111.6 | N20 L21 V26 V28 P113 | N20-V24 WeakPolarHBondContact O-CB 3.37Å; N20-V24 VanDerWaalsContact O-CG2 3.25Å; N20-V24 WeakPolarHBondContact O-CG2 3.34Å; N20-V24 PolarHBondContact O-N 3.23Å; L21-V24 PolarHBondContact O-N 2.98Å; V24-V26 PolarHBondContact O-N 3.32Å; V24-V28 HydrophobicContact CG1-CG2 4.27Å; V24-V28 WeakPolarHBondContact O-CG2 3.43Å; V24-P113 HydrophobicContact CG1-CB 4.27Å; V24-P113 HydrophobicContact CG2-CB 3.99Å |
| 25 | I | 53.8 | Low | 53.5 | Low | 122 Ų | 122 | 101 Ų | 101 | 63% | 0.626 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -68.8 | -31.6 | 178.5 | -69.3 | 167 | 0 | 0 | 0 | 112.4 | L21 | L21-I25 WeakPolarHBondContact O-CD1 3.29Å; L21-I25 WeakPolarHBondContact O-CG1 3.38Å; L21-I25 PolarHBondContact O-N 3.39Å; L21-I25 VanDerWaalsContact O-N 3.13Å |
| 26 | V | 55.8 | Low | 52.7 | Low | 112 Ų | 112 | 100.1 Ų | 100.1 | 68% | 0.679 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -89.5 | -7.7 | -177.2 | -69.7 | 0 | 0 | 0 | 0 | 115.4 | K22 C23 V24 | K22-V26 WeakPolarHBondContact O-CG2 3.24Å; C23-V26 WeakPolarHBondContact O-CG2 3.38Å; V24-V26 PolarHBondContact O-N 3.32Å |
| 27 | N | 52.4 | Low | 51.9 | Low | 124 Ų | 124 | 103.4 Ų | 103.4 | 66% | 0.663 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -128.8 | 17.9 | -172.2 | -95.4 | -53.2 | 0 | 0 | 0 | 115.7 | P29 | N27-P29 WeakPolarHBondContact O-CD 3.44Š|
| 28 | V | 49.1 | Very low | 51 | Low | 66 Ų | 66 | 108.9 Ų | 108.9 | 40% | 0.4 | 59% | 0.59 | S | S | . | * | trans | -97.3 | 94.9 | 169.7 | -177.6 | 0 | 0 | 0 | 0 | 109 | V24 I30 | V24-V28 HydrophobicContact CG1-CG2 4.27Å; V24-V28 WeakPolarHBondContact O-CG2 3.43Å; V28-I30 HydrophobicContact CG1-CG1 4.01Å; V28-I30 PolarHBondContact O-N 3.21Å; V28-I30 VanDerWaalsContact O-N 3.12Å | ||
| 29 | P | 47 | Very low | 49.5 | Very low | 111 Ų | 111 | 109.4 Ų | 109.4 | 72% | 0.721 | 61% | 0.606 | S | S | * | * | trans | -62.1 | 116.6 | 157.5 | 27.2 | -28.9 | 0 | 0 | 0 | 105.7 | N27 P31 | N27-P29 WeakPolarHBondContact O-CD 3.44Å; P29-P31 WeakPolarHBondContact O-CD 3.31Å | ||
| 30 | I | 42.9 | Very low | 49 | Very low | 125 Ų | 125 | 110.7 Ų | 110.7 | 64% | 0.641 | 61% | 0.611 | S | S | * | * | trans | -89.5 | 96.6 | 178.7 | -46.6 | 174.3 | 0 | 0 | 0 | 107.7 | V28 I32 | V28-I30 HydrophobicContact CG1-CG1 4.01Å; V28-I30 PolarHBondContact O-N 3.21Å; V28-I30 VanDerWaalsContact O-N 3.12Å; I30-I32 VanDerWaalsContact C-N 3.29Å; I30-I32 HydrophobicContact CB-CG1 4.31Å; I30-I32 HydrophobicContact CG2-CD1 3.94Å; I30-I32 HydrophobicContact CG2-CG1 3.31Å; I30-I32 PolarHBondContact O-N 2.92Å | ||
| 31 | P | 42.3 | Very low | 48.5 | Very low | 108 Ų | 108 | 115.5 Ų | 115.5 | 70% | 0.701 | 64% | 0.642 | S | S | * | * | trans | -78.4 | 87.7 | 164.2 | 32.2 | -33.9 | 0 | 0 | 0 | 108.2 | P29 Q33 | P29-P31 WeakPolarHBondContact O-CD 3.31Å; P31-Q33 PolarHBondContact O-N 3.42Å | ||
| 32 | I | 43.1 | Very low | 48.4 | Very low | 115 Ų | 115 | 117.7 Ų | 117.7 | 59% | 0.59 | 66% | 0.658 | S | S | * | * | trans | -71.6 | 84.1 | 166.2 | -56.5 | -174.9 | 0 | 0 | 0 | 107.7 | I30 I34 | I30-I32 VanDerWaalsContact C-N 3.29Å; I30-I32 HydrophobicContact CB-CG1 4.31Å; I30-I32 HydrophobicContact CG2-CD1 3.94Å; I30-I32 HydrophobicContact CG2-CG1 3.31Å; I30-I32 PolarHBondContact O-N 2.92Å; I32-I34 VanDerWaalsContact C-N 3.25Å; I32-I34 HydrophobicContact CG2-CB 4.33Å; I32-I34 HydrophobicContact CG2-CD1 3.24Å; I32-I34 HydrophobicContact CG2-CG1 3.38Å; I32-I34 PolarHBondContact O-N 3.38Å; I32-I34 VanDerWaalsContact O-N 3.16Å | ||
| 33 | Q | 39.4 | Very low | 47.7 | Very low | 165 Ų | 165 | 120.9 Ų | 120.9 | 77% | 0.771 | 67% | 0.672 | S | S | * | * | trans | -84.3 | 75.9 | 165.2 | -64.1 | -72 | 18.5 | 0 | 0 | 108.2 | P31 E35 | P31-Q33 PolarHBondContact O-N 3.42Å; Q33-E35 PolarHBondContact O-N 3.36Å | ||
| 34 | I | 44.4 | Very low | 47.7 | Very low | 133 Ų | 133 | 128.4 Ų | 128.4 | 68% | 0.682 | 69% | 0.69 | S | S | * | * | trans | -73.9 | 78.8 | 163.8 | -65.9 | 158.9 | 0 | 0 | 0 | 106.4 | I32 T36 | I32-I34 VanDerWaalsContact C-N 3.25Å; I32-I34 HydrophobicContact CG2-CB 4.33Å; I32-I34 HydrophobicContact CG2-CD1 3.24Å; I32-I34 HydrophobicContact CG2-CG1 3.38Å; I32-I34 PolarHBondContact O-N 3.38Å; I32-I34 VanDerWaalsContact O-N 3.16Å; I34-T36 PolarHBondContact O-N 3.48Å; I34-T36 VanDerWaalsContact O-N 3.08Å | ||
| 35 | E | 49.7 | Very low | 47.5 | Very low | 168 Ų | 168 | 136.1 Ų | 136.1 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | trans | -69.5 | 105 | 158.7 | -92.5 | -171.2 | 161.4 | 0 | 0 | 107.2 | Q33 V37 | Q33-E35 PolarHBondContact O-N 3.36Å; E35-V37 WeakPolarHBondContact O-CG2 3.39Å; E35-V37 PolarHBondContact O-N 3.06Å | ||
| 36 | T | 45.5 | Very low | 46.9 | Very low | 105 Ų | 105 | 134.8 Ų | 134.8 | 64% | 0.644 | 73% | 0.728 | S | S | * | * | trans | -62.2 | 99.5 | 174.5 | -53.4 | 0 | 0 | 0 | 0 | 107.7 | I34 K38 | I34-T36 PolarHBondContact O-N 3.48Å; I34-T36 VanDerWaalsContact O-N 3.08Å; T36-K38 HydrophobicContact CG2-CB 4.14Å; T36-K38 HydrophobicContact CG2-CD 4.32Å; T36-K38 HydrophobicContact CG2-CG 4.23Å; T36-K38 PolarHBondContact O-N 2.97Å | ||
| 37 | V | 51.1 | Low | 46.7 | Very low | 141 Ų | 141 | 135.8 Ų | 135.8 | 86% | 0.855 | 73% | 0.734 | S | S | * | * | trans | -76 | 64.5 | 174.3 | -158 | 0 | 0 | 0 | 0 | 109.4 | E35 | E35-V37 WeakPolarHBondContact O-CG2 3.39Å; E35-V37 PolarHBondContact O-N 3.06Å | ||
| 38 | K | 44 | Very low | 46.3 | Very low | 188 Ų | 188 | 135.4 Ų | 135.4 | 82% | 0.817 | 74% | 0.742 | S | S | * | * | trans | -115.2 | 72.3 | 164.7 | -83 | -177 | 174.1 | 172.9 | 0 | 108.3 | T36 | T36-K38 HydrophobicContact CG2-CB 4.14Å; T36-K38 HydrophobicContact CG2-CD 4.32Å; T36-K38 HydrophobicContact CG2-CG 4.23Å; T36-K38 PolarHBondContact O-N 2.97Å | ||
| 39 | A | 40.4 | Very low | 45.9 | Very low | 85 Ų | 85 | 137.8 Ų | 137.8 | 70% | 0.702 | 76% | 0.76 | S | S | * | * | trans | -171.5 | 141.3 | 157 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 40 | S | 48.5 | Very low | 45.7 | Very low | 86 Ų | 86 | 137.4 Ų | 137.4 | 60% | 0.601 | 77% | 0.766 | S | S | * | * | trans | 89.2 | 50.9 | 162.1 | 73.2 | 0 | 0 | 0 | 0 | 119.6 | T42 | S40-T42 PolarHBondContact O-N 2.89Š| ||
| 41 | V | 48.1 | Very low | 45.9 | Very low | 153 Ų | 153 | 139.5 Ų | 139.5 | 93% | 0.927 | 77% | 0.773 | S | S | * | * | trans | -78.3 | 73.9 | 142.2 | -177.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 42 | T | 55.9 | Low | 45.9 | Very low | 111 Ų | 111 | 139.8 Ų | 139.8 | 68% | 0.681 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -148.1 | 92.2 | 167.4 | 17.6 | 0 | 0 | 0 | 0 | 109.3 | S40 R44 | S40-T42 PolarHBondContact O-N 2.89Å; T42-R44 PolarHBondContact O-N 3.05Å |
| 43 | K | 44.8 | Very low | 46.3 | Very low | 212 Ų | 212 | 143.4 Ų | 143.4 | 92% | 0.922 | 79% | 0.792 | S | S | * | * | trans | 51.6 | 60.1 | 142.7 | -149.1 | 173.3 | -169.5 | 172.6 | 0 | 116.3 | K45 | K43-K45 PolarHBondContact O-N 3.46Š| ||
| 44 | R | 51.2 | Low | 46.6 | Very low | 233 Ų | 233 | 144.6 Ų | 144.6 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | trans | -88.1 | 98.5 | 164.4 | -72 | -172 | 178.7 | 171.7 | 1.7 | 111 | T42 | T42-R44 PolarHBondContact O-N 3.05Š| ||
| 45 | K | 47.8 | Very low | 46.6 | Very low | 196 Ų | 196 | 145.3 Ų | 145.3 | 85% | 0.852 | 80% | 0.803 | S | S | * | * | trans | -55.1 | 138.6 | 166.7 | -174.4 | 158.9 | 178.8 | 171.5 | 0 | 110 | K43 T47 | K43-K45 PolarHBondContact O-N 3.46Å; K45-T47 PolarHBondContact O-N 2.67Å | ||
| 46 | A | 42.5 | Very low | 46.5 | Very low | 93 Ų | 93 | 146 Ų | 146 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -46 | 117.8 | -175 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 47 | T | 50 | Low | 46.7 | Very low | 133 Ų | 133 | 146.1 Ų | 146.1 | 82% | 0.816 | 81% | 0.811 | S | S | * | * | trans | -171.1 | 97.8 | 153 | 44.7 | 0 | 0 | 0 | 0 | 110.6 | K45 | K45-T47 PolarHBondContact O-N 2.67Š| ||
| 48 | S | 45.8 | Very low | 46.4 | Very low | 117 Ų | 117 | 150.5 Ų | 150.5 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | 176.5 | 80.5 | 146.3 | 55.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 49 | C | 39.8 | Very low | 46.8 | Very low | 115 Ų | 115 | 149.3 Ų | 149.3 | 78% | 0.777 | 82% | 0.815 | S | S | * | * | trans | -126.2 | 76.3 | 146.1 | -85.6 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 50 | A | 43.5 | Very low | 47.1 | Very low | 103 Ų | 103 | 150.1 Ų | 150.1 | 85% | 0.851 | 82% | 0.822 | S | S | * | * | trans | -116.9 | 81.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 51 | E | 46.2 | Very low | 47 | Very low | 169 Ų | 169 | 149.3 Ų | 149.3 | 79% | 0.79 | 83% | 0.827 | S | S | * | * | trans | -108.5 | 129.2 | 169.3 | -158.4 | 161.9 | 160 | 0 | 0 | 108 | Q53 | E51-Q53 PolarHBondContact O-N 2.96Š| ||
| 52 | S | 42.2 | Very low | 47.5 | Very low | 115 Ų | 115 | 153.6 Ų | 153.6 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | -54.4 | 116.2 | -162.4 | -56 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 53 | Q | 52.9 | Low | 47.4 | Very low | 190 Ų | 190 | 153.6 Ų | 153.6 | 89% | 0.888 | 83% | 0.828 | S | S | * | * | trans | -120.1 | 105 | 148.1 | -70.9 | -173.8 | 10.1 | 0 | 0 | 107.6 | E51 N55 | E51-Q53 PolarHBondContact O-N 2.96Å; Q53-N55 PolarHBondContact O-N 2.97Å; Q53-N55 VanDerWaalsContact O-N 3.09Å | ||
| 54 | Q | 44.4 | Very low | 47.6 | Very low | 191 Ų | 191 | 155.5 Ų | 155.5 | 89% | 0.893 | 83% | 0.83 | S | S | * | * | trans | -53.3 | 108.8 | 161.7 | -72.8 | 171.8 | -12.7 | 0 | 0 | 108.2 | ||||
| 55 | N | 45.7 | Very low | 48.1 | Very low | 147 Ų | 147 | 155.8 Ų | 155.8 | 79% | 0.786 | 83% | 0.831 | S | S | * | * | trans | -154.7 | 89.6 | 148.3 | -121.1 | -10.8 | 0 | 0 | 0 | 110.4 | Q53 | Q53-N55 PolarHBondContact O-N 2.97Å; Q53-N55 VanDerWaalsContact O-N 3.09Å | ||
| 56 | Q | 45.7 | Very low | 48.3 | Very low | 183 Ų | 183 | 155.9 Ų | 155.9 | 86% | 0.855 | 83% | 0.831 | S | S | * | * | trans | 18.7 | 114.9 | 137.3 | -54.1 | -176.8 | 33.7 | 0 | 0 | 117.4 | ||||
| 57 | S | 51.6 | Low | 48.7 | Very low | 108 Ų | 108 | 162.6 Ų | 162.6 | 76% | 0.755 | 84% | 0.838 | S | S | * | * | trans | 141.6 | 94 | 130.4 | -166.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 58 | R | 43.3 | Very low | 48.8 | Very low | 233 Ų | 233 | 167.7 Ų | 167.7 | 88% | 0.879 | 84% | 0.842 | S | S | * | * | trans | 29.7 | 103.4 | 131.5 | -56.7 | 176.2 | -175.2 | 169.7 | 1.4 | 116.3 | ||||
| 59 | N | 53.3 | Low | 49 | Very low | 163 Ų | 163 | 167.4 Ų | 167.4 | 87% | 0.872 | 84% | 0.841 | S | S | * | * | trans | -159.6 | 93.3 | 134 | -111 | -26.1 | 0 | 0 | 0 | 110.9 | ||||
| 60 | A | 45.9 | Very low | 49.9 | Very low | 102 Ų | 102 | 172.7 Ų | 172.7 | 84% | 0.843 | 84% | 0.844 | S | S | * | * | trans | -69.9 | 135.3 | 160 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 61 | G | 45.9 | Very low | 50.8 | Low | 69 Ų | 69 | 174.2 Ų | 174.2 | 71% | 0.711 | 84% | 0.843 | S | S | * | * | trans | 93.8 | 100.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 62 | R | 59.5 | Low | 51.7 | Low | 243 Ų | 243 | 174.6 Ų | 174.6 | 92% | 0.917 | 84% | 0.842 | S | S | * | * | trans | -154.4 | 139.5 | 143.4 | -109.8 | 166.4 | -168.1 | -135.9 | 1.6 | 111.7 | ||||
| 63 | P | 52.8 | Low | 52.8 | Low | 110 Ų | 110 | 173.8 Ų | 173.8 | 71% | 0.714 | 84% | 0.843 | S | S | * | * | trans | -78.2 | 155.6 | -162.8 | 31.7 | -34.1 | 0 | 0 | 0 | 112.8 | R65 | P63-R65 PolarHBondContact O-N 2.67Š| ||
| 64 | R | 50.8 | Low | 53.9 | Low | 253 Ų | 253 | 171.7 Ų | 171.7 | 96% | 0.955 | 83% | 0.827 | S | S | * | * | trans | -54.2 | 103.1 | 175.2 | -68.7 | -169.1 | 160.9 | -132.2 | -3.8 | 111.1 | ||||
| 65 | R | 61.5 | Low | 55.8 | Low | 238 Ų | 238 | 165.2 Ų | 165.2 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | trans | -97.5 | 120.4 | 168.7 | -93.2 | -175.9 | 171.6 | 148.3 | -1.1 | 111.2 | P63 | P63-R65 PolarHBondContact O-N 2.67Š| ||
| 66 | K | 51.4 | Low | 57.8 | Low | 199 Ų | 199 | 163.1 Ų | 163.1 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | trans | -45.2 | 130.9 | 177.5 | -70.2 | 164.4 | 174.6 | 176.9 | 0 | 112.7 | R68 | K66-R68 PolarHBondContact O-N 3.47Š| ||
| 67 | Y | 50.3 | Low | 60 | Low | 234 Ų | 234 | 160.5 Ų | 160.5 | 92% | 0.918 | 79% | 0.788 | S | S | * | * | trans | 12.7 | 82.8 | 137.8 | -151.1 | -98.2 | 0 | 0 | 0 | 115.2 | ||||
| 68 | R | 53.5 | Low | 61.9 | Low | 239 Ų | 239 | 158 Ų | 158 | 90% | 0.902 | 77% | 0.769 | S | S | * | * | trans | -137.8 | 89.5 | 158.7 | -133.7 | 176.8 | -177 | -177.4 | 1.1 | 108.7 | K66 R70 | K66-R68 PolarHBondContact O-N 3.47Å; R68-R70 PolarHBondContact O-N 2.91Å; R68-R70 VanDerWaalsContact O-N 3.14Å | ||
| 69 | S | 48.1 | Very low | 64.2 | Low | 112 Ų | 112 | 150.5 Ų | 150.5 | 78% | 0.783 | 75% | 0.745 | S | S | * | * | trans | -49.3 | 110.5 | 164.3 | -179 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 70 | R | 59.5 | Low | 66.1 | Low | 225 Ų | 225 | 145.7 Ų | 145.7 | 85% | 0.849 | 73% | 0.727 | S | S | * | * | trans | -135.8 | 99.4 | 163.3 | -151.4 | 172.6 | -157.6 | 165.1 | 5.1 | 106.1 | R68 K72 | R68-R70 PolarHBondContact O-N 2.91Å; R68-R70 VanDerWaalsContact O-N 3.14Å; R70-K72 PolarHBondContact O-N 3.45Å | ||
| 71 | T | 63.2 | Low | 68.4 | Low | 136 Ų | 136 | 148.1 Ų | 148.1 | 83% | 0.834 | 72% | 0.719 | S | S | * | * | trans | -56.7 | 69.4 | 159.4 | 35.1 | 0 | 0 | 0 | 0 | 108.7 | A73 | T71-A73 PolarHBondContact O-N 3.4Å; T71-A73 VanDerWaalsContact O-N 3.08Å | ||
| 72 | K | 64.6 | Low | 70.7 | Confident | 177 Ų | 177 | 147.7 Ų | 147.7 | 77% | 0.77 | 70% | 0.698 | S | S | * | * | trans | -69.9 | 108.1 | 168.4 | -166 | 158.4 | -174 | 176.9 | 0 | 105.1 | R70 R74 | R70-K72 PolarHBondContact O-N 3.45Å; K72-R74 PolarHBondContact O-N 3.13Å | ||
| 73 | A | 65 | Low | 72.4 | Confident | 98 Ų | 98 | 144 Ų | 144 | 81% | 0.81 | 69% | 0.689 | S | S | * | * | trans | -45.1 | 112.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | T71 S75 | T71-A73 PolarHBondContact O-N 3.4Å; T71-A73 VanDerWaalsContact O-N 3.08Å; A73-S75 PolarHBondContact O-N 2.92Å | ||
| 74 | R | 75.4 | Confident | 74.4 | Confident | 146 Ų | 146 | 147.6 Ų | 147.6 | 55% | 0.551 | 69% | 0.688 | S | S | * | * | trans | -69.6 | 132.4 | -176.6 | -71 | 179 | 174.4 | -170.6 | 0.3 | 106.6 | K72 T78 M79 | K72-R74 PolarHBondContact O-N 3.13Å; R74-T78 WeakPolarHBondContact CB-OG1 3.4Å; R74-M79 HydrophobicContact CB-CE 3.48Å; R74-M79 VanDerWaalsContact CB-CE 3.48Å; R74-M79 HydrophobicContact CB-CG 3.92Å; R74-M79 HydrophobicContact CB-SD 3.68Å; R74-M79 HydrophobicContact CG-CE 3.91Å; R74-M79 HydrophobicContact CG-SD 4.44Å | ||
| 75 | S | 84.4 | Confident | 76.6 | Confident | 54 Ų | 54 | 141.3 Ų | 141.3 | 38% | 0.378 | 67% | 0.671 | S | S | . | * | trans | -55.4 | 146.2 | -179.2 | 66.2 | 0 | 0 | 0 | 0 | 110.2 | A73 D77 T78 M79 | A73-S75 PolarHBondContact O-N 2.92Å; S75-D77 PolarHBondContact O-N 2.98Å; S75-D77 VanDerWaalsContact O-N 3.11Å; S75-T78 PolarHBondContact N-OG1 3.41Å; S75-T78 VanDerWaalsContact N-OG1 3.17Å; S75-T78 PolarHBondContact O-N 3.47Å; S75-T78 PolarHBondContact O-OG1 2.92Å; S75-T78 WeakPolarHBondContact OG-CG2 3.21Å; S75-T78 PolarHBondContact OG-N 3.5Å; S75-T78 PolarHBondContact OG-OG1 3.46Å; S75-M79 PolarHBondContact O-N 3.44Å | ||
| 76 | P | 89.1 | Confident | 78.3 | Confident | 104 Ų | 104 | 138.7 Ų | 138.7 | 68% | 0.675 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -52.2 | -37.6 | -177.4 | 19.8 | -32.5 | 0 | 0 | 0 | 112.3 | T78 M79 A80 | P76-T78 PolarHBondContact O-N 3.46Å; P76-M79 WeakPolarHBondContact O-CB 3.33Å; P76-M79 PolarHBondContact O-N 2.98Å; P76-M79 VanDerWaalsContact O-N 3.15Å; P76-A80 PolarHBondContact O-N 3.48Å |
| 77 | D | 90.3 | Very high | 80.5 | Confident | 127 Ų | 127 | 137.6 Ų | 137.6 | 68% | 0.679 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -63.8 | -41 | 176.3 | -56.8 | -40.7 | 0 | 0 | 0 | 113.2 | S75 M79 A80 K81 | S75-D77 PolarHBondContact O-N 2.98Å; S75-D77 VanDerWaalsContact O-N 3.11Å; D77-M79 VanDerWaalsContact C-N 3.27Å; D77-M79 PolarHBondContact O-N 3.32Å; D77-A80 PolarHBondContact O-N 3.43Å; D77-K81 WeakPolarHBondContact O-CB 3.4Å; D77-K81 PolarHBondContact O-N 3.4Å |
| 78 | T | 91.8 | Very high | 82.7 | Confident | 56 Ų | 56 | 130.3 Ų | 130.3 | 34% | 0.344 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -67.2 | -32.8 | 175.9 | 63.5 | 0 | 0 | 0 | 0 | 111.3 | R74 S75 P76 Q82 | R74-T78 WeakPolarHBondContact CB-OG1 3.4Å; S75-T78 PolarHBondContact N-OG1 3.41Å; S75-T78 VanDerWaalsContact N-OG1 3.17Å; S75-T78 PolarHBondContact O-N 3.47Å; S75-T78 PolarHBondContact O-OG1 2.92Å; S75-T78 WeakPolarHBondContact OG-CG2 3.21Å; S75-T78 PolarHBondContact OG-N 3.5Å; S75-T78 PolarHBondContact OG-OG1 3.46Å; P76-T78 PolarHBondContact O-N 3.46Å; T78-Q82 WeakPolarHBondContact O-CB 3.2Å; T78-Q82 WeakPolarHBondContact O-CG 3.14Å; T78-Q82 PolarHBondContact O-N 3.44Å |
| 79 | M | 91 | Very high | 84.7 | Confident | 76 Ų | 76 | 124.7 Ų | 124.7 | 37% | 0.374 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -68.5 | -44.5 | 173.6 | -61.5 | -75.3 | 74 | 0 | 0 | 112.3 | R74 S75 P76 D77 Q82 K83 | R74-M79 HydrophobicContact CB-CE 3.48Å; R74-M79 VanDerWaalsContact CB-CE 3.48Å; R74-M79 HydrophobicContact CB-CG 3.92Å; R74-M79 HydrophobicContact CB-SD 3.68Å; R74-M79 HydrophobicContact CG-CE 3.91Å; R74-M79 HydrophobicContact CG-SD 4.44Å; S75-M79 PolarHBondContact O-N 3.44Å; P76-M79 WeakPolarHBondContact O-CB 3.33Å; P76-M79 PolarHBondContact O-N 2.98Å; P76-M79 VanDerWaalsContact O-N 3.15Å; D77-M79 VanDerWaalsContact C-N 3.27Å; D77-M79 PolarHBondContact O-N 3.32Å; M79-Q82 HydrophobicContact CE-CB 4.5Å; M79-Q82 VanDerWaalsContact CE-CD 3.49Å; M79-Q82 HydrophobicContact CE-CG 4.48Å; M79-Q82 PolarHBondContact O-N 3.13Å; M79-K83 WeakPolarHBondContact O-CB 3.31Å; M79-K83 PolarHBondContact O-N 3.5Å |
| 80 | A | 93.6 | Very high | 87 | Confident | 61 Ų | 61 | 121.3 Ų | 121.3 | 50% | 0.504 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -60.3 | -46.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | P76 D77 Q82 K83 R84 | P76-A80 PolarHBondContact O-N 3.48Å; D77-A80 PolarHBondContact O-N 3.43Å; A80-Q82 VanDerWaalsContact C-N 3.34Å; A80-Q82 PolarHBondContact O-N 3.02Å; A80-K83 PolarHBondContact O-N 2.84Å; A80-R84 PolarHBondContact O-N 3.41Å |
| 81 | K | 94.7 | Very high | 88.9 | Confident | 154 Ų | 154 | 114.7 Ų | 114.7 | 67% | 0.67 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61 | -41.6 | 176.3 | -173 | 174.4 | -178.5 | 174.9 | 0 | 111.9 | D77 R84 M85 | D77-K81 WeakPolarHBondContact O-CB 3.4Å; D77-K81 PolarHBondContact O-N 3.4Å; K81-R84 PolarHBondContact O-N 3.24Å; K81-M85 WeakPolarHBondContact O-CB 3.34Å; K81-M85 PolarHBondContact O-N 2.99Å |
| 82 | Q | 94.1 | Very high | 90.6 | Very high | 59 Ų | 59 | 112.5 Ų | 112.5 | 28% | 0.276 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.2 | -40.1 | 176.3 | -75.3 | 176.9 | 18.2 | 0 | 0 | 112.7 | T78 M79 A80 M85 R86 | T78-Q82 WeakPolarHBondContact O-CB 3.2Å; T78-Q82 WeakPolarHBondContact O-CG 3.14Å; T78-Q82 PolarHBondContact O-N 3.44Å; M79-Q82 HydrophobicContact CE-CB 4.5Å; M79-Q82 VanDerWaalsContact CE-CD 3.49Å; M79-Q82 HydrophobicContact CE-CG 4.48Å; M79-Q82 PolarHBondContact O-N 3.13Å; A80-Q82 VanDerWaalsContact C-N 3.34Å; A80-Q82 PolarHBondContact O-N 3.02Å; Q82-M85 PolarHBondContact O-N 3.06Å; Q82-R86 WeakPolarHBondContact O-CG 3.25Å; Q82-R86 PolarHBondContact O-N 3.26Å |
| 83 | K | 95 | Very high | 92.2 | Very high | 165 Ų | 165 | 110.4 Ų | 110.4 | 72% | 0.717 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.5 | -46.4 | 173.3 | -174.2 | 178.9 | 179.2 | -178.8 | 0 | 110.8 | M79 A80 M85 R86 R87 | M79-K83 WeakPolarHBondContact O-CB 3.31Å; M79-K83 PolarHBondContact O-N 3.5Å; A80-K83 PolarHBondContact O-N 2.84Å; K83-M85 PolarHBondContact O-N 3.35Å; K83-R86 PolarHBondContact O-N 2.82Å; K83-R87 PolarHBondContact O-N 2.96Å |
| 84 | R | 96 | Very high | 93.7 | Very high | 186 Ų | 186 | 109.8 Ų | 109.8 | 70% | 0.702 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.3 | -45.6 | 175 | -172.8 | 177.4 | 178.5 | -143.8 | -0.5 | 111.6 | A80 K81 R86 R87 T88 | A80-R84 PolarHBondContact O-N 3.41Å; K81-R84 PolarHBondContact O-N 3.24Å; R84-R86 PolarHBondContact O-N 2.99Å; R84-R87 WeakPolarHBondContact O-CB 3.5Å; R84-R87 PolarHBondContact O-N 3.32Å; R84-T88 PolarHBondContact O-N 3.46Å; R84-T88 PolarHBondContact O-OG1 3.45Å |
| 85 | M | 97 | Very high | 94.8 | Very high | 121 Ų | 121 | 111 Ų | 111 | 60% | 0.596 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -60.3 | -44.4 | 177 | -174.3 | 62.8 | 70.4 | 0 | 0 | 112.3 | K81 Q82 K83 R87 T88 K89 | K81-M85 WeakPolarHBondContact O-CB 3.34Å; K81-M85 PolarHBondContact O-N 2.99Å; Q82-M85 PolarHBondContact O-N 3.06Å; K83-M85 PolarHBondContact O-N 3.35Å; M85-R87 VanDerWaalsContact C-N 3.31Å; M85-R87 PolarHBondContact O-N 3.46Å; M85-T88 PolarHBondContact O-N 2.68Å; M85-K89 WeakPolarHBondContact O-CB 3.39Å; M85-K89 PolarHBondContact O-N 3.13Å |
| 86 | R | 97 | Very high | 95.5 | Very high | 183 Ų | 183 | 111.2 Ų | 111.2 | 69% | 0.691 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.2 | -42.1 | 175.2 | -72.3 | 175.5 | -176.4 | -164.6 | 1.9 | 111.4 | Q82 K83 R84 K89 A90 | Q82-R86 WeakPolarHBondContact O-CG 3.25Å; Q82-R86 PolarHBondContact O-N 3.26Å; K83-R86 PolarHBondContact O-N 2.82Å; R84-R86 PolarHBondContact O-N 2.99Å; R86-K89 PolarHBondContact O-N 3.1Å; R86-A90 WeakPolarHBondContact O-CB 3.33Å; R86-A90 PolarHBondContact O-N 3.48Å |
| 87 | R | 96.6 | Very high | 96 | Very high | 177 Ų | 177 | 113.7 Ų | 113.7 | 67% | 0.668 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.5 | -46.5 | 176.3 | -165.8 | 176.9 | 86.4 | 160.7 | 4.2 | 111.8 | K83 R84 M85 A90 N91 | K83-R87 PolarHBondContact O-N 2.96Å; R84-R87 WeakPolarHBondContact O-CB 3.5Å; R84-R87 PolarHBondContact O-N 3.32Å; M85-R87 VanDerWaalsContact C-N 3.31Å; M85-R87 PolarHBondContact O-N 3.46Å; R87-A90 PolarHBondContact O-N 3.12Å; R87-N91 PolarHBondContact O-N 3.46Å; R87-N91 PolarHBondContact O-ND2 3.27Å |
| 88 | T | 96.3 | Very high | 96.3 | Very high | 81 Ų | 81 | 110.5 Ų | 110.5 | 50% | 0.497 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.6 | -45.2 | 176.9 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | R84 M85 A90 N91 N92 | R84-T88 PolarHBondContact O-N 3.46Å; R84-T88 PolarHBondContact O-OG1 3.45Å; M85-T88 PolarHBondContact O-N 2.68Å; T88-A90 VanDerWaalsContact C-N 3.29Å; T88-A90 PolarHBondContact O-N 2.78Å; T88-N91 PolarHBondContact O-N 3.2Å; T88-N92 PolarHBondContact O-N 3.11Å |
| 89 | K | 96.8 | Very high | 96.6 | Very high | 121 Ų | 121 | 113.1 Ų | 113.1 | 53% | 0.526 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.8 | -36.6 | 176.7 | -164.7 | -177.1 | 177.5 | 172.3 | 0 | 112.1 | M85 R86 R93 | M85-K89 WeakPolarHBondContact O-CB 3.39Å; M85-K89 PolarHBondContact O-N 3.13Å; R86-K89 PolarHBondContact O-N 3.1Å; K89-R93 WeakPolarHBondContact O-CG 3.33Å; K89-R93 PolarHBondContact O-N 2.98Å; K89-R93 PolarHBondContact O-NH1 3.04Å |
| 90 | A | 96.4 | Very high | 97 | Very high | 40 Ų | 40 | 113.2 Ų | 113.2 | 33% | 0.331 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67 | -45.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R86 R87 T88 N92 R93 E94 | R86-A90 WeakPolarHBondContact O-CB 3.33Å; R86-A90 PolarHBondContact O-N 3.48Å; R87-A90 PolarHBondContact O-N 3.12Å; T88-A90 VanDerWaalsContact C-N 3.29Å; T88-A90 PolarHBondContact O-N 2.78Å; A90-N92 VanDerWaalsContact C-N 3.31Å; A90-N92 PolarHBondContact O-N 3.15Å; A90-R93 PolarHBondContact O-N 3.17Å; A90-E94 PolarHBondContact O-N 3.25Å; A90-E94 VanDerWaalsContact O-N 3.09Å |
| 91 | N | 98.2 | Very high | 97.2 | Very high | 86 Ų | 86 | 114.3 Ų | 114.3 | 46% | 0.46 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60 | -41.3 | 175.2 | -79.3 | -70.9 | 0 | 0 | 0 | 112.2 | R87 T88 R93 E94 R95 | R87-N91 PolarHBondContact O-N 3.46Å; R87-N91 PolarHBondContact O-ND2 3.27Å; T88-N91 PolarHBondContact O-N 3.2Å; N91-R93 VanDerWaalsContact C-N 3.32Å; N91-R93 PolarHBondContact O-N 3.27Å; N91-E94 PolarHBondContact O-N 3.44Å; N91-R95 WeakPolarHBondContact O-CG 3.47Å; N91-R95 PolarHBondContact O-N 3.17Å |
| 92 | N | 98.3 | Very high | 97.3 | Very high | 90 Ų | 90 | 109.2 Ų | 109.2 | 48% | 0.481 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.7 | -43 | 176.8 | -164.7 | 78.4 | 0 | 0 | 0 | 111.7 | T88 A90 E94 R95 S96 | T88-N92 PolarHBondContact O-N 3.11Å; A90-N92 VanDerWaalsContact C-N 3.31Å; A90-N92 PolarHBondContact O-N 3.15Å; N92-E94 PolarHBondContact O-N 3.29Å; N92-R95 PolarHBondContact O-N 3.38Å; N92-S96 PolarHBondContact O-N 3.03Å; N92-S96 PolarHBondContact O-OG 2.94Å |
| 93 | R | 98.3 | Very high | 97.5 | Very high | 133 Ų | 133 | 110.5 Ų | 110.5 | 50% | 0.502 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 176.5 | -70.2 | -172 | -52.6 | -91.6 | 9.4 | 112.2 | K89 A90 N91 R95 S96 R97 | K89-R93 WeakPolarHBondContact O-CG 3.33Å; K89-R93 PolarHBondContact O-N 2.98Å; K89-R93 PolarHBondContact O-NH1 3.04Å; A90-R93 PolarHBondContact O-N 3.17Å; N91-R93 VanDerWaalsContact C-N 3.32Å; N91-R93 PolarHBondContact O-N 3.27Å; R93-R95 VanDerWaalsContact C-N 3.35Å; R93-S96 PolarHBondContact O-N 2.94Å; R93-R97 WeakPolarHBondContact O-CB 3.49Å; R93-R97 PolarHBondContact O-N 3.16Å |
| 94 | E | 98.2 | Very high | 97.7 | Very high | 86 Ų | 86 | 105.3 Ų | 105.3 | 40% | 0.402 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.9 | -37.9 | 178.2 | -173.2 | 56 | -152.4 | 0 | 0 | 111.8 | A90 N91 N92 R97 M98 | A90-E94 PolarHBondContact O-N 3.25Å; A90-E94 VanDerWaalsContact O-N 3.09Å; N91-E94 PolarHBondContact O-N 3.44Å; N92-E94 PolarHBondContact O-N 3.29Å; E94-R97 WeakPolarHBondContact O-CB 3.43Å; E94-R97 PolarHBondContact O-N 2.95Å; E94-R97 IonicContact OE1-NH1 2.89Å; E94-R97 PolarHBondContact OE1-NH1 2.8Å; E94-R97 IonicContact OE2-NH1 3.86Å; E94-M98 HydrophobicContact CG-CG 4.46Å; E94-M98 WeakPolarHBondContact O-CB 3.25Å; E94-M98 WeakPolarHBondContact O-CG 3.31Å; E94-M98 PolarHBondContact O-N 3.37Å |
| 95 | R | 98.4 | Very high | 97.7 | Very high | 170 Ų | 170 | 97.5 Ų | 97.5 | 64% | 0.642 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -58.9 | -49.3 | 172.1 | -72.1 | 179.1 | -176.2 | -92.2 | -0.4 | 111.3 | N91 N92 R93 R97 M98 H99 | N91-R95 WeakPolarHBondContact O-CG 3.47Å; N91-R95 PolarHBondContact O-N 3.17Å; N92-R95 PolarHBondContact O-N 3.38Å; R93-R95 VanDerWaalsContact C-N 3.35Å; R95-R97 VanDerWaalsContact C-N 3.31Å; R95-R97 PolarHBondContact O-N 3.28Å; R95-M98 PolarHBondContact O-N 3.18Å; R95-M98 VanDerWaalsContact O-N 3.15Å; R95-H99 PolarHBondContact O-CD2 3.14Å; R95-H99 PolarHBondContact O-N 3.36Å |
| 96 | S | 98.3 | Very high | 97.7 | Very high | 59 Ų | 59 | 95.1 Ų | 95.1 | 41% | 0.413 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.5 | -40.7 | 176.4 | -56.1 | 0 | 0 | 0 | 0 | 112.5 | N92 R93 H99 S100 | N92-S96 PolarHBondContact O-N 3.03Å; N92-S96 PolarHBondContact O-OG 2.94Å; R93-S96 PolarHBondContact O-N 2.94Å; S96-H99 PolarHBondContact O-N 3.01Å; S96-S100 PolarHBondContact O-N 2.83Å |
| 97 | R | 98.5 | Very high | 97.7 | Very high | 156 Ų | 156 | 94.9 Ų | 94.9 | 59% | 0.589 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -60.7 | -45.2 | 174.3 | 179.6 | 180 | 172.4 | -89.5 | -6 | 111.6 | R93 E94 R95 S100 L101 | R93-R97 WeakPolarHBondContact O-CB 3.49Å; R93-R97 PolarHBondContact O-N 3.16Å; E94-R97 WeakPolarHBondContact O-CB 3.43Å; E94-R97 PolarHBondContact O-N 2.95Å; E94-R97 IonicContact OE1-NH1 2.89Å; E94-R97 PolarHBondContact OE1-NH1 2.8Å; E94-R97 IonicContact OE2-NH1 3.86Å; R95-R97 VanDerWaalsContact C-N 3.31Å; R95-R97 PolarHBondContact O-N 3.28Å; R97-S100 PolarHBondContact O-N 2.94Å; R97-L101 PolarHBondContact O-N 3.08Å |
| 98 | M | 98.3 | Very high | 97.7 | Very high | 60 Ų | 60 | 89.1 Ų | 89.1 | 30% | 0.296 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -67.4 | -34.8 | 178.2 | -73.1 | -56.6 | -55.2 | 0 | 0 | 112.7 | E94 R95 L101 N102 | E94-M98 HydrophobicContact CG-CG 4.46Å; E94-M98 WeakPolarHBondContact O-CB 3.25Å; E94-M98 WeakPolarHBondContact O-CG 3.31Å; E94-M98 PolarHBondContact O-N 3.37Å; R95-M98 PolarHBondContact O-N 3.18Å; R95-M98 VanDerWaalsContact O-N 3.15Å; M98-L101 HydrophobicContact CE-CD2 4.04Å; M98-L101 PolarHBondContact O-N 3.32Å; M98-L101 HydrophobicContact SD-CD2 4.14Å; M98-N102 WeakPolarHBondContact O-CB 3.28Å; M98-N102 PolarHBondContact O-N 3.39Å; M98-N102 PolarHBondContact O-ND2 3.18Å; M98-N102 VanDerWaalsContact O-ND2 3.15Å |
| 99 | H | 98.2 | Very high | 97.7 | Very high | 111 Ų | 111 | 88.3 Ų | 88.3 | 51% | 0.514 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.4 | -51.7 | 171.9 | -73.2 | -60.1 | 0 | 0 | 0 | 110.8 | R95 S96 L101 N102 D103 | R95-H99 PolarHBondContact O-CD2 3.14Å; R95-H99 PolarHBondContact O-N 3.36Å; S96-H99 PolarHBondContact O-N 3.01Å; H99-L101 VanDerWaalsContact C-N 3.28Å; H99-L101 PolarHBondContact O-N 2.89Å; H99-N102 PolarHBondContact O-N 3.38Å; H99-D103 PolarHBondContact O-N 3.45Å |
| 100 | S | 98.1 | Very high | 97.5 | Very high | 79 Ų | 79 | 90 Ų | 90 | 55% | 0.552 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -57.8 | -38 | 176.7 | 172.8 | 0 | 0 | 0 | 0 | 113.4 | S96 R97 A104 | S96-S100 PolarHBondContact O-N 2.83Å; R97-S100 PolarHBondContact O-N 2.94Å; S100-A104 PolarHBondContact O-N 3.29Å; S100-A104 VanDerWaalsContact O-N 3.14Å |
| 101 | L | 97.8 | Very high | 97.4 | Very high | 84 Ų | 84 | 91.8 Ų | 91.8 | 44% | 0.44 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66.2 | -43.4 | 175 | 174.8 | 62.8 | 0 | 0 | 0 | 111.9 | R97 M98 H99 A104 L105 | R97-L101 PolarHBondContact O-N 3.08Å; M98-L101 HydrophobicContact CE-CD2 4.04Å; M98-L101 PolarHBondContact O-N 3.32Å; M98-L101 HydrophobicContact SD-CD2 4.14Å; H99-L101 VanDerWaalsContact C-N 3.28Å; H99-L101 PolarHBondContact O-N 2.89Å; L101-A104 PolarHBondContact O-N 2.64Å; L101-L105 PolarHBondContact O-N 2.83Å; L101-L105 VanDerWaalsContact O-N 3.09Å |
| 102 | N | 98 | Very high | 97.2 | Very high | 46 Ų | 46 | 88.3 Ų | 88.3 | 25% | 0.246 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -67.6 | -39.5 | 178.6 | -68.1 | -30.9 | 0 | 0 | 0 | 110.9 | M98 H99 A104 L105 D106 K123 | M98-N102 WeakPolarHBondContact O-CB 3.28Å; M98-N102 PolarHBondContact O-N 3.39Å; M98-N102 PolarHBondContact O-ND2 3.18Å; M98-N102 VanDerWaalsContact O-ND2 3.15Å; H99-N102 PolarHBondContact O-N 3.38Å; N102-A104 VanDerWaalsContact C-N 3.29Å; N102-A104 PolarHBondContact O-N 3.09Å; N102-L105 CarbonylContact O-C 3.54Å; N102-L105 WeakPolarHBondContact O-CA 3.31Å; N102-L105 WeakPolarHBondContact O-CB 3.4Å; N102-L105 PolarHBondContact O-N 3.39Å; N102-D106 PolarHBondContact O-N 3.37Å; N102-K123 WeakPolarHBondContact OD1-CE 3.47Å; N102-K123 PolarHBondContact OD1-NZ 3.34Å |
| 103 | D | 98 | Very high | 96.9 | Very high | 86 Ų | 86 | 85.5 Ų | 85.5 | 46% | 0.46 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -58.8 | -41.2 | 174.9 | -61.3 | -17.8 | 0 | 0 | 0 | 111.2 | H99 L105 D106 R107 | H99-D103 PolarHBondContact O-N 3.45Å; D103-L105 VanDerWaalsContact C-N 3.33Å; D103-L105 PolarHBondContact O-N 3.5Å; D103-D106 PolarHBondContact O-N 3.14Å; D103-R107 WeakPolarHBondContact O-CG 3.41Å; D103-R107 PolarHBondContact O-N 3.43Å |
| 104 | A | 98.2 | Very high | 96.3 | Very high | 56 Ų | 56 | 81.7 Ų | 81.7 | 46% | 0.463 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65.4 | -36 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S100 L101 N102 L108 | S100-A104 PolarHBondContact O-N 3.29Å; S100-A104 VanDerWaalsContact O-N 3.14Å; L101-A104 PolarHBondContact O-N 2.64Å; N102-A104 VanDerWaalsContact C-N 3.29Å; N102-A104 PolarHBondContact O-N 3.09Å; A104-L108 PolarHBondContact O-N 3.17Å; A104-L108 VanDerWaalsContact O-N 3.14Å |
| 105 | L | 97.6 | Very high | 95.4 | Very high | 22 Ų | 22 | 80.4 Ų | 80.4 | 12% | 0.115 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -73.4 | -31.8 | 177.7 | -158.8 | 145 | 0 | 0 | 0 | 111.6 | L101 N102 D103 L108 R109 K123 T126 | L101-L105 PolarHBondContact O-N 2.83Å; L101-L105 VanDerWaalsContact O-N 3.09Å; N102-L105 CarbonylContact O-C 3.54Å; N102-L105 WeakPolarHBondContact O-CA 3.31Å; N102-L105 WeakPolarHBondContact O-CB 3.4Å; N102-L105 PolarHBondContact O-N 3.39Å; D103-L105 VanDerWaalsContact C-N 3.33Å; D103-L105 PolarHBondContact O-N 3.5Å; L105-L108 WeakPolarHBondContact O-CB 3.41Å; L105-L108 PolarHBondContact O-N 3.02Å; L105-R109 WeakPolarHBondContact O-CG 3.38Å; L105-R109 PolarHBondContact O-N 2.89Å; L105-R109 VanDerWaalsContact O-N 3.17Å; L105-K123 HydrophobicContact CD1-CB 4.5Å; L105-K123 HydrophobicContact CD1-CG 4.29Å; L105-K123 HydrophobicContact CD2-CG 4.48Å; L105-T126 HydrophobicContact CD2-CG2 3.96Å; L105-T126 HydrophobicContact CG-CG2 4.34Å |
| 106 | D | 96.1 | Very high | 94.3 | Very high | 72 Ų | 72 | 78 Ų | 78 | 39% | 0.385 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -68.6 | -43 | 172.4 | -72 | -30.8 | 0 | 0 | 0 | 111.8 | N102 D103 L108 R109 E110 | N102-D106 PolarHBondContact O-N 3.37Å; D103-D106 PolarHBondContact O-N 3.14Å; D106-L108 PolarHBondContact O-N 3.04Å; D106-R109 WeakPolarHBondContact O-CA 3.13Å; D106-R109 WeakPolarHBondContact O-CB 3Å; D106-R109 PolarHBondContact O-N 3.15Å; D106-R109 IonicContact OD1-CZ 3.78Å; D106-R109 IonicContact OD1-NH1 2.64Å; D106-R109 PolarHBondContact OD1-NH1 3.04Å; D106-E110 PolarHBondContact O-N 3.4Å |
| 107 | R | 96.6 | Very high | 93.2 | Very high | 178 Ų | 178 | 82.2 Ų | 82.2 | 67% | 0.672 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -58.4 | -35.9 | 171 | -69.1 | 175.6 | -167.6 | -168.3 | 1.7 | 112.7 | D103 R109 E110 | D103-R107 WeakPolarHBondContact O-CG 3.41Å; D103-R107 PolarHBondContact O-N 3.43Å; R107-R109 VanDerWaalsContact C-N 3.32Å; R107-E110 PolarHBondContact O-N 3.04Å |
| 108 | L | 97.1 | Very high | 92 | Very high | 55 Ų | 55 | 78.9 Ų | 78.9 | 29% | 0.288 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 173.2 | 177.8 | 60.1 | 0 | 0 | 0 | 111 | A104 L105 D106 E110 V111 L112 T126 A130 | A104-L108 PolarHBondContact O-N 3.17Å; A104-L108 VanDerWaalsContact O-N 3.14Å; L105-L108 WeakPolarHBondContact O-CB 3.41Å; L105-L108 PolarHBondContact O-N 3.02Å; D106-L108 PolarHBondContact O-N 3.04Å; L108-E110 VanDerWaalsContact C-N 3.29Å; L108-E110 PolarHBondContact O-N 3.24Å; L108-V111 HydrophobicContact CD1-CG2 4.17Å; L108-V111 WeakPolarHBondContact O-CG2 3.47Å; L108-V111 PolarHBondContact O-N 3.15Å; L108-L112 HydrophobicContact CD1-CD2 4.45Å; L108-L112 WeakPolarHBondContact O-CG 2.88Å; L108-L112 PolarHBondContact O-N 2.95Å; L108-T126 HydrophobicContact CD2-CG2 3.89Å; L108-T126 HydrophobicContact CG-CG2 4.09Å; L108-A130 HydrophobicContact CD1-CB 4.11Å; L108-A130 HydrophobicContact CD2-CB 4.05Å; L108-A130 HydrophobicContact CG-CB 4.42Å |
| 109 | R | 95.5 | Very high | 91 | Very high | 65 Ų | 65 | 83 Ų | 83 | 25% | 0.245 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -64.1 | -32.7 | 178.7 | -68.7 | 175.1 | 175.8 | 116.1 | -1.3 | 113.2 | L105 D106 R107 V111 L112 L121 T126 | L105-R109 WeakPolarHBondContact O-CG 3.38Å; L105-R109 PolarHBondContact O-N 2.89Å; L105-R109 VanDerWaalsContact O-N 3.17Å; D106-R109 WeakPolarHBondContact O-CA 3.13Å; D106-R109 WeakPolarHBondContact O-CB 3Å; D106-R109 PolarHBondContact O-N 3.15Å; D106-R109 IonicContact OD1-CZ 3.78Å; D106-R109 IonicContact OD1-NH1 2.64Å; D106-R109 PolarHBondContact OD1-NH1 3.04Å; R107-R109 VanDerWaalsContact C-N 3.32Å; R109-V111 PolarHBondContact O-N 2.86Å; R109-L112 PolarHBondContact O-N 3.24Å; R109-L121 PolarHBondContact NE-O 3.32Å; R109-L121 PolarHBondContact NH2-O 3.35Å; R109-T126 HydrophobicContact CG-CG2 3.76Å; R109-T126 PolarHBondContact NE-OG1 3.17Å; R109-T126 VanDerWaalsContact NE-OG1 3.15Å |
| 110 | E | 93.8 | Very high | 90.4 | Very high | 157 Ų | 157 | 87.4 Ų | 87.4 | 73% | 0.734 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -61.1 | -29.2 | 178.1 | -67.3 | 170.6 | -174.2 | 0 | 0 | 112.9 | D106 R107 L108 | D106-E110 PolarHBondContact O-N 3.4Å; R107-E110 PolarHBondContact O-N 3.04Å; L108-E110 VanDerWaalsContact C-N 3.29Å; L108-E110 PolarHBondContact O-N 3.24Å |
| 111 | V | 94.6 | Very high | 90.2 | Very high | 76 Ų | 76 | 85 Ų | 85 | 46% | 0.461 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -4.2 | -179.2 | -58.3 | 0 | 0 | 0 | 0 | 113.6 | L108 R109 Y133 | L108-V111 HydrophobicContact CD1-CG2 4.17Å; L108-V111 WeakPolarHBondContact O-CG2 3.47Å; L108-V111 PolarHBondContact O-N 3.15Å; R109-V111 PolarHBondContact O-N 2.86Å; V111-Y133 WeakPolarHBondContact O-CE1 3.38Å |
| 112 | L | 94.3 | Very high | 90 | Very high | 13 Ų | 13 | 84.4 Ų | 84.4 | 7% | 0.068 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -81.4 | 141.4 | 179.1 | -69.9 | -179.3 | 0 | 0 | 0 | 111.2 | L108 R109 V114 L121 T126 M129 A130 Y133 | L108-L112 HydrophobicContact CD1-CD2 4.45Å; L108-L112 WeakPolarHBondContact O-CG 2.88Å; L108-L112 PolarHBondContact O-N 2.95Å; R109-L112 PolarHBondContact O-N 3.24Å; L112-V114 HydrophobicContact CB-CG2 3.94Å; L112-V114 PolarHBondContact O-N 3.44Å; L112-L121 HydrophobicContact CD1-CD1 4.13Å; L112-T126 HydrophobicContact CD1-CG2 3.74Å; L112-M129 HydrophobicContact CB-CG 4.39Å; L112-M129 HydrophobicContact CD1-CB 4.07Å; L112-M129 HydrophobicContact CD1-CG 4.06Å; L112-M129 HydrophobicContact CD2-CG 4.17Å; L112-M129 HydrophobicContact CG-CG 4.43Å; L112-A130 HydrophobicContact CD2-CB 3.89Å; L112-Y133 HydrophobicContact CD2-CD1 4.29Å |
| 113 | P | 91 | Very high | 90 | Very high | 31 Ų | 31 | 86.9 Ų | 86.9 | 20% | 0.201 | 45% | 0.449 | C | S | . | . | trans | -72.6 | 99.2 | 171.5 | 29.8 | -33.1 | 0 | 0 | 0 | 109.6 | V24 Y133 | V24-P113 HydrophobicContact CG1-CB 4.27Å; V24-P113 HydrophobicContact CG2-CB 3.99Å; P113-Y133 HydrophobicContact CG-CD1 4.44Å; P113-Y133 HydrophobicContact CG-CD2 3.94Å; P113-Y133 HydrophobicContact CG-CE2 4.17Å; P113-Y133 HydrophobicContact CG-CG 4.1Å | ||
| 114 | V | 86.9 | Confident | 89.9 | Confident | 53 Ų | 53 | 87.1 Ų | 87.1 | 32% | 0.321 | 45% | 0.45 | S | S | . | . | trans | -125.1 | 142.8 | 178.4 | -171.2 | 0 | 0 | 0 | 0 | 109.3 | L112 D118 L121 | L112-V114 HydrophobicContact CB-CG2 3.94Å; L112-V114 PolarHBondContact O-N 3.44Å; V114-D118 HydrophobicContact CG1-CB 3.82Å; V114-L121 HydrophobicContact CG1-CG 4.44Å; V114-L121 HydrophobicContact CG2-CD1 3.61Å; V114-L121 HydrophobicContact CG2-CG 4.34Å | ||
| 115 | L | 78.9 | Confident | 89.8 | Confident | 59 Ų | 59 | 88.7 Ų | 88.7 | 31% | 0.309 | 45% | 0.447 | S | S | . | . | trans | -68.9 | 145.1 | 174.3 | -75.6 | 161 | 0 | 0 | 0 | 110.2 | N20 D117 D118 | N20-L115 WeakPolarHBondContact ND2-CD2 3.49Å; N20-L115 WeakPolarHBondContact OD1-CD2 3.37Å; L115-D117 PolarHBondContact O-N 3.06Å; L115-D117 VanDerWaalsContact O-N 3.17Å; L115-D118 HydrophobicContact CB-CB 4.39Å; L115-D118 WeakPolarHBondContact CB-OD2 3.45Å; L115-D118 PolarHBondContact N-OD2 3.36Å; L115-D118 PolarHBondContact O-N 2.83Å; L115-D118 VanDerWaalsContact O-N 3.13Å | ||
| 116 | P | 75.3 | Confident | 89.7 | Confident | 119 Ų | 119 | 87.7 Ų | 87.7 | 77% | 0.773 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -25.4 | 178.3 | 25.2 | -34.2 | 0 | 0 | 0 | 113.2 | ||
| 117 | D | 74.8 | Confident | 89.8 | Confident | 148 Ų | 148 | 88.9 Ų | 88.9 | 79% | 0.791 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -5.7 | -178.8 | -59 | -37.2 | 0 | 0 | 0 | 113.6 | L115 | L115-D117 PolarHBondContact O-N 3.06Å; L115-D117 VanDerWaalsContact O-N 3.17Å |
| 118 | D | 73.8 | Confident | 89.8 | Confident | 86 Ų | 86 | 88.3 Ų | 88.3 | 46% | 0.46 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -75.4 | 136.3 | -178.9 | -74.1 | -21.1 | 0 | 0 | 0 | 110.8 | V114 L115 | V114-D118 HydrophobicContact CG1-CB 3.82Å; L115-D118 HydrophobicContact CB-CB 4.39Å; L115-D118 WeakPolarHBondContact CB-OD2 3.45Å; L115-D118 PolarHBondContact N-OD2 3.36Å; L115-D118 PolarHBondContact O-N 2.83Å; L115-D118 VanDerWaalsContact O-N 3.13Å |
| 119 | N | 76.6 | Confident | 89.7 | Confident | 148 Ų | 148 | 88.9 Ų | 88.9 | 79% | 0.791 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -52.2 | 148.4 | 170.8 | -71.2 | 18.2 | 0 | 0 | 0 | 110.6 | L121 | N119-L121 PolarHBondContact O-N 2.86Š|
| 120 | K | 86.6 | Confident | 89.8 | Confident | 203 Ų | 203 | 86.4 Ų | 86.4 | 88% | 0.883 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -47.7 | 116.2 | 174.5 | -70.7 | -180 | 177.7 | -70.7 | 0 | 110.6 | T122 | K120-T122 PolarHBondContact O-N 3.29Š|
| 121 | L | 91.9 | Very high | 90 | Very high | 27 Ų | 27 | 84.2 Ų | 84.2 | 14% | 0.141 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -54.7 | 130.3 | 179.9 | -63.6 | 179.7 | 0 | 0 | 0 | 111.7 | R109 L112 V114 N119 E125 T126 | R109-L121 PolarHBondContact NE-O 3.32Å; R109-L121 PolarHBondContact NH2-O 3.35Å; L112-L121 HydrophobicContact CD1-CD1 4.13Å; V114-L121 HydrophobicContact CG1-CG 4.44Å; V114-L121 HydrophobicContact CG2-CD1 3.61Å; V114-L121 HydrophobicContact CG2-CG 4.34Å; N119-L121 PolarHBondContact O-N 2.86Å; L121-E125 HydrophobicContact CB-CB 4.34Å; L121-E125 HydrophobicContact CD2-CB 4.23Å; L121-T126 WeakPolarHBondContact CB-OG1 3.45Å |
| 122 | T | 95.3 | Very high | 90.1 | Very high | 72 Ų | 72 | 85 Ų | 85 | 44% | 0.442 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 163.6 | 168.7 | 66.8 | 0 | 0 | 0 | 0 | 110.9 | K120 I124 E125 T126 | K120-T122 PolarHBondContact O-N 3.29Å; T122-I124 VanDerWaalsContact C-N 3.28Å; T122-I124 PolarHBondContact O-N 3.39Å; T122-I124 WeakPolarHBondContact OG1-CG2 3.48Å; T122-E125 VanDerWaalsContact CB-OE2 3.28Å; T122-E125 WeakPolarHBondContact CB-OE2 3.47Å; T122-E125 VanDerWaalsContact CG2-OE2 3.31Å; T122-E125 WeakPolarHBondContact CG2-OE2 3.38Å; T122-E125 PolarHBondContact N-OE2 3.2Å; T122-E125 PolarHBondContact O-N 2.98Å; T122-E125 VanDerWaalsContact OG1-CG 3.25Å; T122-E125 WeakPolarHBondContact OG1-CG 3.43Å; T122-E125 PolarHBondContact OG1-N 3.09Å; T122-E125 PolarHBondContact OG1-OE2 3.47Å; T122-T126 PolarHBondContact O-N 2.92Å; T122-T126 PolarHBondContact O-OG1 3.36Å; T122-T126 VanDerWaalsContact O-OG1 3.11Å |
| 123 | K | 96.7 | Very high | 90.2 | Very high | 99 Ų | 99 | 87 Ų | 87 | 43% | 0.43 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -56.7 | -40.9 | -179 | -68.2 | -173.8 | 173.9 | -168.4 | 0 | 112.7 | N102 L105 L127 | N102-K123 WeakPolarHBondContact OD1-CE 3.47Å; N102-K123 PolarHBondContact OD1-NZ 3.34Å; L105-K123 HydrophobicContact CD1-CB 4.5Å; L105-K123 HydrophobicContact CD1-CG 4.29Å; L105-K123 HydrophobicContact CD2-CG 4.48Å; K123-L127 VanDerWaalsContact O-CG 3.31Å; K123-L127 WeakPolarHBondContact O-CG 3.43Å; K123-L127 PolarHBondContact O-N 3Å |
| 124 | I | 97 | Very high | 90.6 | Very high | 91 Ų | 91 | 90.6 Ų | 90.6 | 47% | 0.467 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -72.4 | -36.1 | -179 | -174 | 59.4 | 0 | 0 | 0 | 111.9 | T122 L127 R128 | T122-I124 VanDerWaalsContact C-N 3.28Å; T122-I124 PolarHBondContact O-N 3.39Å; T122-I124 WeakPolarHBondContact OG1-CG2 3.48Å; I124-L127 PolarHBondContact O-N 3.01Å; I124-R128 HydrophobicContact CD1-CG 4.5Å; I124-R128 WeakPolarHBondContact O-CG 3.35Å; I124-R128 PolarHBondContact O-N 3.29Å |
| 125 | E | 95.7 | Very high | 91 | Very high | 89 Ų | 89 | 91.7 Ų | 91.7 | 42% | 0.416 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.1 | -44.1 | 176.3 | -71.4 | 162.5 | 156.9 | 0 | 0 | 111.3 | L121 T122 L127 R128 M129 | L121-E125 HydrophobicContact CB-CB 4.34Å; L121-E125 HydrophobicContact CD2-CB 4.23Å; T122-E125 VanDerWaalsContact CB-OE2 3.28Å; T122-E125 WeakPolarHBondContact CB-OE2 3.47Å; T122-E125 VanDerWaalsContact CG2-OE2 3.31Å; T122-E125 WeakPolarHBondContact CG2-OE2 3.38Å; T122-E125 PolarHBondContact N-OE2 3.2Å; T122-E125 PolarHBondContact O-N 2.98Å; T122-E125 VanDerWaalsContact OG1-CG 3.25Å; T122-E125 WeakPolarHBondContact OG1-CG 3.43Å; T122-E125 PolarHBondContact OG1-N 3.09Å; T122-E125 PolarHBondContact OG1-OE2 3.47Å; E125-L127 VanDerWaalsContact C-N 3.3Å; E125-L127 PolarHBondContact O-N 3.28Å; E125-R128 PolarHBondContact O-N 3.1Å; E125-M129 VanDerWaalsContact O-CB 3.31Å; E125-M129 WeakPolarHBondContact O-CB 3.35Å; E125-M129 PolarHBondContact O-N 3.25Å |
| 126 | T | 96.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 90.7 Ų | 90.7 | 0% | 0 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -55.3 | -45.2 | 174.6 | -58.4 | 0 | 0 | 0 | 0 | 111.4 | L105 L108 R109 L112 L121 T122 A130 | L105-T126 HydrophobicContact CD2-CG2 3.96Å; L105-T126 HydrophobicContact CG-CG2 4.34Å; L108-T126 HydrophobicContact CD2-CG2 3.89Å; L108-T126 HydrophobicContact CG-CG2 4.09Å; R109-T126 HydrophobicContact CG-CG2 3.76Å; R109-T126 PolarHBondContact NE-OG1 3.17Å; R109-T126 VanDerWaalsContact NE-OG1 3.15Å; L112-T126 HydrophobicContact CD1-CG2 3.74Å; L121-T126 WeakPolarHBondContact CB-OG1 3.45Å; T122-T126 PolarHBondContact O-N 2.92Å; T122-T126 PolarHBondContact O-OG1 3.36Å; T122-T126 VanDerWaalsContact O-OG1 3.11Å; T126-A130 WeakPolarHBondContact O-CB 3.49Å; T126-A130 PolarHBondContact O-N 3.45Å |
| 127 | L | 98 | Very high | 92.7 | Very high | 98 Ų | 98 | 88.1 Ų | 88.1 | 51% | 0.513 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -67.5 | -43.1 | 179.4 | -66 | 175.4 | 0 | 0 | 0 | 112.6 | K123 I124 E125 A130 H131 | K123-L127 VanDerWaalsContact O-CG 3.31Å; K123-L127 WeakPolarHBondContact O-CG 3.43Å; K123-L127 PolarHBondContact O-N 3Å; I124-L127 PolarHBondContact O-N 3.01Å; E125-L127 VanDerWaalsContact C-N 3.3Å; E125-L127 PolarHBondContact O-N 3.28Å; L127-A130 PolarHBondContact O-N 3.25Å; L127-H131 PolarHBondContact O-N 2.98Å; L127-H131 VanDerWaalsContact O-N 3.1Å |
| 128 | R | 96.2 | Very high | 93.8 | Very high | 165 Ų | 165 | 84.2 Ų | 84.2 | 62% | 0.623 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -63.2 | -44.4 | 176.9 | -74.1 | 174.8 | 176 | 178.8 | -0.8 | 111.6 | I124 E125 H131 N132 | I124-R128 HydrophobicContact CD1-CG 4.5Å; I124-R128 WeakPolarHBondContact O-CG 3.35Å; I124-R128 PolarHBondContact O-N 3.29Å; E125-R128 PolarHBondContact O-N 3.1Å; R128-H131 PolarHBondContact O-N 3.3Å; R128-N132 VanDerWaalsContact O-CG 3.28Å; R128-N132 PolarHBondContact O-N 2.86Å; R128-N132 PolarHBondContact O-ND2 3.23Å |
| 129 | M | 95.3 | Very high | 94.7 | Very high | 68 Ų | 68 | 87.2 Ų | 87.2 | 34% | 0.335 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.1 | -46.1 | 178 | -175.5 | 63.1 | 82 | 0 | 0 | 111.1 | L112 E125 H131 N132 Y133 | L112-M129 HydrophobicContact CB-CG 4.39Å; L112-M129 HydrophobicContact CD1-CB 4.07Å; L112-M129 HydrophobicContact CD1-CG 4.06Å; L112-M129 HydrophobicContact CD2-CG 4.17Å; L112-M129 HydrophobicContact CG-CG 4.43Å; E125-M129 VanDerWaalsContact O-CB 3.31Å; E125-M129 WeakPolarHBondContact O-CB 3.35Å; E125-M129 PolarHBondContact O-N 3.25Å; M129-H131 PolarHBondContact O-N 2.97Å; M129-N132 PolarHBondContact O-N 2.95Å; M129-Y133 WeakPolarHBondContact O-CB 3.45Å; M129-Y133 PolarHBondContact O-N 3.41Å |
| 130 | A | 97.8 | Very high | 95.6 | Very high | 12 Ų | 12 | 84.9 Ų | 84.9 | 10% | 0.099 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -57.4 | -46.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L108 L112 T126 L127 N132 Y133 I134 | L108-A130 HydrophobicContact CD1-CB 4.11Å; L108-A130 HydrophobicContact CD2-CB 4.05Å; L108-A130 HydrophobicContact CG-CB 4.42Å; L112-A130 HydrophobicContact CD2-CB 3.89Å; T126-A130 WeakPolarHBondContact O-CB 3.49Å; T126-A130 PolarHBondContact O-N 3.45Å; L127-A130 PolarHBondContact O-N 3.25Å; A130-N132 PolarHBondContact O-N 3.21Å; A130-Y133 PolarHBondContact O-N 3.36Å; A130-I134 VanDerWaalsContact O-CG1 3.31Å; A130-I134 WeakPolarHBondContact O-CG1 3.4Å; A130-I134 PolarHBondContact O-N 3.44Å |
| 131 | H | 97.7 | Very high | 96 | Very high | 112 Ų | 112 | 82 Ų | 82 | 52% | 0.519 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.2 | -48.1 | 176.3 | 174.9 | -102.8 | 0 | 0 | 0 | 112 | L127 R128 M129 Y133 I134 L135 | L127-H131 PolarHBondContact O-N 2.98Å; L127-H131 VanDerWaalsContact O-N 3.1Å; R128-H131 PolarHBondContact O-N 3.3Å; M129-H131 PolarHBondContact O-N 2.97Å; H131-Y133 VanDerWaalsContact C-N 3.31Å; H131-Y133 PolarHBondContact O-N 2.96Å; H131-I134 PolarHBondContact O-N 3.46Å; H131-L135 WeakPolarHBondContact CE1-CD1 3.44Å; H131-L135 WeakPolarHBondContact O-CG 3.45Å; H131-L135 PolarHBondContact O-N 2.91Å |
| 132 | N | 96 | Very high | 96 | Very high | 93 Ų | 93 | 86.6 Ų | 86.6 | 50% | 0.497 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.7 | -37.2 | 179.1 | -68.8 | -13.7 | 0 | 0 | 0 | 112.1 | R128 M129 A130 L135 A136 | R128-N132 VanDerWaalsContact O-CG 3.28Å; R128-N132 PolarHBondContact O-N 2.86Å; R128-N132 PolarHBondContact O-ND2 3.23Å; M129-N132 PolarHBondContact O-N 2.95Å; A130-N132 PolarHBondContact O-N 3.21Å; N132-L135 PolarHBondContact O-N 3.06Å; N132-A136 WeakPolarHBondContact O-CB 3.44Å; N132-A136 PolarHBondContact O-N 3.28Å |
| 133 | Y | 97.6 | Very high | 95.4 | Very high | 53 Ų | 53 | 86.4 Ų | 86.4 | 21% | 0.208 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -66.2 | -45.2 | 178.5 | -175.1 | -143.6 | 0 | 0 | 0 | 111.4 | V111 L112 P113 M129 A130 H131 L135 A136 L137 | V111-Y133 WeakPolarHBondContact O-CE1 3.38Å; L112-Y133 HydrophobicContact CD2-CD1 4.29Å; P113-Y133 HydrophobicContact CG-CD1 4.44Å; P113-Y133 HydrophobicContact CG-CD2 3.94Å; P113-Y133 HydrophobicContact CG-CE2 4.17Å; P113-Y133 HydrophobicContact CG-CG 4.1Å; M129-Y133 WeakPolarHBondContact O-CB 3.45Å; M129-Y133 PolarHBondContact O-N 3.41Å; A130-Y133 PolarHBondContact O-N 3.36Å; H131-Y133 VanDerWaalsContact C-N 3.31Å; H131-Y133 PolarHBondContact O-N 2.96Å; Y133-L135 VanDerWaalsContact C-N 3.34Å; Y133-L135 PolarHBondContact O-N 3.4Å; Y133-A136 PolarHBondContact O-N 2.9Å; Y133-L137 HydrophobicContact CD1-CD1 4.36Å; Y133-L137 HydrophobicContact CD2-CD1 4.14Å; Y133-L137 HydrophobicContact CD2-CD2 4.47Å; Y133-L137 HydrophobicContact CD2-CG 3.97Å; Y133-L137 HydrophobicContact CE1-CD1 4Å; Y133-L137 HydrophobicContact CE2-CD1 3.74Å; Y133-L137 HydrophobicContact CE2-CD2 3.76Å; Y133-L137 HydrophobicContact CE2-CG 3.67Å; Y133-L137 HydrophobicContact CG-CD1 4.43Å; Y133-L137 WeakPolarHBondContact O-CG 3.49Å; Y133-L137 PolarHBondContact O-N 2.88Å |
| 134 | I | 97.5 | Very high | 94.4 | Very high | 107 Ų | 107 | 86.6 Ų | 86.6 | 55% | 0.549 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -56 | -49.4 | 172.8 | -67.4 | 165.2 | 0 | 0 | 0 | 110.2 | A130 H131 A136 L137 T138 | A130-I134 VanDerWaalsContact O-CG1 3.31Å; A130-I134 WeakPolarHBondContact O-CG1 3.4Å; A130-I134 PolarHBondContact O-N 3.44Å; H131-I134 PolarHBondContact O-N 3.46Å; I134-A136 VanDerWaalsContact C-N 3.33Å; I134-A136 PolarHBondContact O-N 3.42Å; I134-L137 PolarHBondContact O-N 3.34Å; I134-T138 WeakPolarHBondContact O-CB 3.44Å; I134-T138 PolarHBondContact O-N 3.47Å; I134-T138 PolarHBondContact O-OG1 3.29Å |
| 135 | L | 96.5 | Very high | 92.9 | Very high | 77 Ų | 77 | 90.4 Ų | 90.4 | 40% | 0.403 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.2 | -40.3 | 178.7 | -71.7 | 179.4 | 0 | 0 | 0 | 113.1 | H131 N132 Y133 K139 | H131-L135 WeakPolarHBondContact CE1-CD1 3.44Å; H131-L135 WeakPolarHBondContact O-CG 3.45Å; H131-L135 PolarHBondContact O-N 2.91Å; N132-L135 PolarHBondContact O-N 3.06Å; Y133-L135 VanDerWaalsContact C-N 3.34Å; Y133-L135 PolarHBondContact O-N 3.4Å; L135-K139 WeakPolarHBondContact O-CG 3.46Å; L135-K139 PolarHBondContact O-N 2.87Å |
| 136 | A | 95.1 | Very high | 91.1 | Very high | 38 Ų | 38 | 94.9 Ų | 94.9 | 31% | 0.314 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.9 | -48 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | N132 Y133 I134 T138 K139 I140 | N132-A136 WeakPolarHBondContact O-CB 3.44Å; N132-A136 PolarHBondContact O-N 3.28Å; Y133-A136 PolarHBondContact O-N 2.9Å; I134-A136 VanDerWaalsContact C-N 3.33Å; I134-A136 PolarHBondContact O-N 3.42Å; A136-T138 PolarHBondContact O-N 3.16Å; A136-K139 PolarHBondContact O-N 3.29Å; A136-I140 WeakPolarHBondContact O-CG1 3.32Å; A136-I140 PolarHBondContact O-N 3.37Å |
| 137 | L | 95.5 | Very high | 89.1 | Confident | 65 Ų | 65 | 103 Ų | 103 | 34% | 0.34 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 177 | -67.6 | 178.2 | 0 | 0 | 0 | 111.6 | Y133 I134 K139 I140 L141 | Y133-L137 HydrophobicContact CD1-CD1 4.36Å; Y133-L137 HydrophobicContact CD2-CD1 4.14Å; Y133-L137 HydrophobicContact CD2-CD2 4.47Å; Y133-L137 HydrophobicContact CD2-CG 3.97Å; Y133-L137 HydrophobicContact CE1-CD1 4Å; Y133-L137 HydrophobicContact CE2-CD1 3.74Å; Y133-L137 HydrophobicContact CE2-CD2 3.76Å; Y133-L137 HydrophobicContact CE2-CG 3.67Å; Y133-L137 HydrophobicContact CG-CD1 4.43Å; Y133-L137 WeakPolarHBondContact O-CG 3.49Å; Y133-L137 PolarHBondContact O-N 2.88Å; I134-L137 PolarHBondContact O-N 3.34Å; L137-K139 VanDerWaalsContact C-N 3.29Å; L137-K139 PolarHBondContact O-N 3.47Å; L137-I140 PolarHBondContact O-N 3.04Å; L137-L141 WeakPolarHBondContact O-CB 3.41Å; L137-L141 VanDerWaalsContact O-CG 3.26Å; L137-L141 WeakPolarHBondContact O-CG 3.45Å; L137-L141 PolarHBondContact O-N 3.5Å |
| 138 | T | 95.9 | Very high | 86.7 | Confident | 65 Ų | 65 | 101.1 Ų | 101.1 | 40% | 0.399 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.7 | -39.6 | 176.1 | -58.7 | 0 | 0 | 0 | 0 | 112 | I134 A136 N142 | I134-T138 WeakPolarHBondContact O-CB 3.44Å; I134-T138 PolarHBondContact O-N 3.47Å; I134-T138 PolarHBondContact O-OG1 3.29Å; A136-T138 PolarHBondContact O-N 3.16Å; T138-N142 WeakPolarHBondContact CG2-ND2 3.18Å; T138-N142 WeakPolarHBondContact O-CB 3.39Å; T138-N142 PolarHBondContact O-N 3.19Å; T138-N142 VanDerWaalsContact O-N 3.13Å; T138-N142 PolarHBondContact O-ND2 3.42Å; T138-N142 VanDerWaalsContact O-ND2 3.07Å |
| 139 | K | 94.7 | Very high | 84.3 | Confident | 150 Ų | 150 | 101.5 Ų | 101.5 | 65% | 0.652 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.8 | -46.6 | 175.6 | -74.2 | 173.6 | -178.9 | -178 | 0 | 111.8 | L135 A136 L137 L141 N142 S143 | L135-K139 WeakPolarHBondContact O-CG 3.46Å; L135-K139 PolarHBondContact O-N 2.87Å; A136-K139 PolarHBondContact O-N 3.29Å; L137-K139 VanDerWaalsContact C-N 3.29Å; L137-K139 PolarHBondContact O-N 3.47Å; K139-L141 VanDerWaalsContact C-N 3.31Å; K139-L141 PolarHBondContact O-N 2.91Å; K139-N142 PolarHBondContact O-N 3.34Å; K139-N142 VanDerWaalsContact O-N 3.17Å; K139-S143 PolarHBondContact O-N 2.9Å; K139-S143 PolarHBondContact O-OG 3.37Å |
| 140 | I | 94.4 | Very high | 81.9 | Confident | 99 Ų | 99 | 102.6 Ų | 102.6 | 51% | 0.508 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -60.4 | -42.4 | 178.7 | -66.6 | 164.7 | 0 | 0 | 0 | 110.7 | A136 L137 N142 S143 | A136-I140 WeakPolarHBondContact O-CG1 3.32Å; A136-I140 PolarHBondContact O-N 3.37Å; L137-I140 PolarHBondContact O-N 3.04Å; I140-N142 VanDerWaalsContact C-N 3.28Å; I140-N142 PolarHBondContact O-N 3.11Å; I140-S143 PolarHBondContact O-OG 2.86Å |
| 141 | L | 94.3 | Very high | 79.3 | Confident | 142 Ų | 142 | 107.2 Ų | 107.2 | 74% | 0.743 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -70.8 | -21.7 | 178.9 | -67.5 | 173.7 | 0 | 0 | 0 | 113.7 | L137 K139 | L137-L141 WeakPolarHBondContact O-CB 3.41Å; L137-L141 VanDerWaalsContact O-CG 3.26Å; L137-L141 WeakPolarHBondContact O-CG 3.45Å; L137-L141 PolarHBondContact O-N 3.5Å; K139-L141 VanDerWaalsContact C-N 3.31Å; K139-L141 PolarHBondContact O-N 2.91Å |
| 142 | N | 93.3 | Very high | 76.9 | Confident | 123 Ų | 123 | 107.8 Ų | 107.8 | 66% | 0.658 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -100.3 | -15.6 | -179.4 | -70.8 | -26.4 | 0 | 0 | 0 | 113.5 | T138 K139 I140 P144 | T138-N142 WeakPolarHBondContact CG2-ND2 3.18Å; T138-N142 WeakPolarHBondContact O-CB 3.39Å; T138-N142 PolarHBondContact O-N 3.19Å; T138-N142 VanDerWaalsContact O-N 3.13Å; T138-N142 PolarHBondContact O-ND2 3.42Å; T138-N142 VanDerWaalsContact O-ND2 3.07Å; K139-N142 PolarHBondContact O-N 3.34Å; K139-N142 VanDerWaalsContact O-N 3.17Å; I140-N142 VanDerWaalsContact C-N 3.28Å; I140-N142 PolarHBondContact O-N 3.11Å; N142-P144 WeakPolarHBondContact O-CD 3.37Å |
| 143 | S | 82.7 | Confident | 74.8 | Confident | 69 Ų | 69 | 108.7 Ų | 108.7 | 48% | 0.483 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -78.5 | 114.4 | 171 | 51.4 | 0 | 0 | 0 | 0 | 108.4 | K139 I140 E145 | K139-S143 PolarHBondContact O-N 2.9Å; K139-S143 PolarHBondContact O-OG 3.37Å; I140-S143 PolarHBondContact O-OG 2.86Å; S143-E145 PolarHBondContact O-N 3.26Å |
| 144 | P | 76.1 | Confident | 72.4 | Confident | 102 Ų | 102 | 112 Ų | 112 | 66% | 0.662 | 64% | 0.639 | S | S | * | * | trans | -57.7 | 141.2 | 168.1 | 27 | -33.1 | 0 | 0 | 0 | 108.3 | N142 E146 | N142-P144 WeakPolarHBondContact O-CD 3.37Å; P144-E146 VanDerWaalsContact C-N 3.27Å; P144-E146 PolarHBondContact O-N 3.44Å | ||
| 145 | E | 64.8 | Low | 69.9 | Low | 171 Ų | 171 | 110.3 Ų | 110.3 | 80% | 0.799 | 65% | 0.648 | S | S | * | * | trans | -59.5 | 83.1 | -178.3 | -57.4 | -177.1 | -179.4 | 0 | 0 | 110.8 | S143 E147 | S143-E145 PolarHBondContact O-N 3.26Å; E145-E147 HydrophobicContact CB-CG 4.17Å; E145-E147 PolarHBondContact O-N 3.15Å | ||
| 146 | E | 58.1 | Low | 67.6 | Low | 183 Ų | 183 | 111.5 Ų | 111.5 | 86% | 0.855 | 66% | 0.663 | S | S | * | * | trans | -78.6 | 70.5 | 160 | -64.5 | -79 | 160.7 | 0 | 0 | 106.6 | P144 G148 | P144-E146 VanDerWaalsContact C-N 3.27Å; P144-E146 PolarHBondContact O-N 3.44Å; E146-G148 PolarHBondContact O-N 3.06Å | ||
| 147 | E | 53.4 | Low | 65.5 | Low | 170 Ų | 170 | 119.9 Ų | 119.9 | 79% | 0.794 | 69% | 0.693 | S | S | * | * | trans | -58.9 | 117.1 | 160.4 | -68.4 | -95.9 | 145.7 | 0 | 0 | 108 | E145 | E145-E147 HydrophobicContact CB-CG 4.17Å; E145-E147 PolarHBondContact O-N 3.15Å | ||
| 148 | G | 48.3 | Very low | 63.2 | Low | 60 Ų | 60 | 125.1 Ų | 125.1 | 62% | 0.619 | 72% | 0.72 | S | S | * | * | trans | 132.8 | 123 | 160.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | E146 | E146-G148 PolarHBondContact O-N 3.06Š| ||
| 149 | E | 45.5 | Very low | 60.7 | Low | 173 Ų | 173 | 127.5 Ų | 127.5 | 81% | 0.808 | 74% | 0.738 | S | S | * | * | trans | 69.4 | 105.1 | 139.9 | -99.6 | 72.6 | 139 | 0 | 0 | 120.4 | ||||
| 150 | S | 44.6 | Very low | 58.5 | Low | 91 Ų | 91 | 125.2 Ų | 125.2 | 64% | 0.636 | 74% | 0.741 | S | S | * | * | 62.2 | 113.5 | 122.4 | 67.5 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 151 | S | 44.1 | Very low | 56.5 | Low | 109 Ų | 109 | 126.4 Ų | 126.4 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | trans | 39.7 | 93.3 | 134.1 | 64.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 152 | S | 46.7 | Very low | 54.4 | Low | 123 Ų | 123 | 123.1 Ų | 123.1 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | trans | -172.5 | 135 | 131.9 | 38 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 153 | S | 52.2 | Low | 52.9 | Low | 113 Ų | 113 | 125 Ų | 125 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | trans | -72.6 | -178.2 | 174.2 | -154 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 154 | P | 47.4 | Very low | 51.3 | Low | 122 Ų | 122 | 127.7 Ų | 127.7 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | -120 | 141.9 | -93.1 | 34 | -16.1 | 0 | 0 | 0 | 112.6 | |||||
| 155 | G | 43.9 | Very low | 50.4 | Low | 71 Ų | 71 | 127.9 Ų | 127.9 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | trans | -119.3 | 116.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 156 | S | 49 | Very low | 49.9 | Very low | 103 Ų | 103 | 128.7 Ų | 128.7 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | trans | -57.3 | 134.9 | 176.3 | 53.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 157 | F | 51.7 | Low | 49.5 | Very low | 214 Ų | 214 | 125.1 Ų | 125.1 | 94% | 0.939 | 78% | 0.775 | S | S | * | * | trans | -132.7 | 90.6 | 146 | -70.8 | -76.5 | 0 | 0 | 0 | 109.2 | ||||
| 158 | L | 45.4 | Very low | 49.3 | Very low | 174 Ų | 174 | 122.6 Ų | 122.6 | 91% | 0.911 | 78% | 0.776 | S | S | * | * | trans | -86.6 | 116.7 | 153.4 | -75.3 | 167.6 | 0 | 0 | 0 | 106.8 | ||||
| 159 | C | 44.9 | Very low | 49.9 | Very low | 115 Ų | 115 | 125.5 Ų | 125.5 | 78% | 0.777 | 78% | 0.782 | S | S | * | * | trans | -170.1 | 120.2 | 144.2 | -153.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 160 | S | 47.7 | Very low | 50.2 | Low | 103 Ų | 103 | 122.7 Ų | 122.7 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | trans | 62.9 | 112.8 | 138.2 | -65.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 161 | S | 52.6 | Low | 50.8 | Low | 124 Ų | 124 | 126.5 Ų | 126.5 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | 163.4 | 112.4 | 120.9 | -65.8 | 0 | 0 | 0 | 0 | 105.6 | |||||
| 162 | G | 49.9 | Very low | 51.2 | Low | 72 Ų | 72 | 125.5 Ų | 125.5 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | cis | 113.2 | 123.1 | 41.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 163 | M | 62.7 | Low | 51.9 | Low | 162 Ų | 162 | 126 Ų | 126 | 80% | 0.798 | 79% | 0.785 | S | S | * | * | trans | 99.9 | 106.9 | 169.4 | -56.3 | -83.9 | 87.9 | 0 | 0 | 118.7 | ||||
| 164 | P | 49 | Very low | 52 | Low | 126 Ų | 126 | 127.8 Ų | 127.8 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -105.2 | 114 | 137.6 | 32.7 | -19.2 | 0 | 0 | 0 | 108.8 | ||||
| 165 | T | 56.7 | Low | 52.4 | Low | 106 Ų | 106 | 132.8 Ų | 132.8 | 65% | 0.65 | 79% | 0.79 | S | S | * | * | trans | -113.4 | 112.4 | 172.3 | -30.6 | 0 | 0 | 0 | 0 | 109.4 | T167 | T165-T167 PolarHBondContact O-N 2.89Š| ||
| 166 | Q | 55 | Low | 53.2 | Low | 188 Ų | 188 | 136.1 Ų | 136.1 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | trans | -70.2 | 118.2 | 166.5 | -55.7 | 177.9 | 89.6 | 0 | 0 | 107.2 | ||||
| 167 | T | 48.8 | Very low | 53.4 | Low | 109 Ų | 109 | 137.3 Ų | 137.3 | 67% | 0.669 | 80% | 0.799 | S | S | * | * | trans | -119.3 | 105.4 | 168.2 | -62.2 | 0 | 0 | 0 | 0 | 108.6 | T165 T169 | T165-T167 PolarHBondContact O-N 2.89Å; T167-T169 HydrophobicContact CG2-CG2 4.22Å | ||
| 168 | S | 50.1 | Low | 53.7 | Low | 116 Ų | 116 | 132.8 Ų | 132.8 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | -71.6 | 116.9 | 161.2 | -34 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 169 | T | 59.7 | Low | 54 | Low | 121 Ų | 121 | 128.9 Ų | 128.9 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | trans | -136.2 | 113 | 159.9 | 33.1 | 0 | 0 | 0 | 0 | 108.5 | T167 | T167-T169 HydrophobicContact CG2-CG2 4.22Š| ||
| 170 | P | 52 | Low | 54.2 | Low | 115 Ų | 115 | 131.8 Ų | 131.8 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | trans | -92.3 | 117.1 | 169.5 | 32.8 | -23.5 | 0 | 0 | 0 | 108.2 | ||||
| 171 | M | 57.1 | Low | 54 | Low | 170 Ų | 170 | 132.4 Ų | 132.4 | 84% | 0.837 | 79% | 0.791 | S | S | * | * | trans | -145.5 | 106.7 | 162.8 | -69.8 | -63.4 | -102.1 | 0 | 0 | 108.8 | ||||
| 172 | A | 52 | Low | 53.7 | Low | 89 Ų | 89 | 130.5 Ų | 130.5 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | trans | -55.3 | 131.7 | 153.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 173 | V | 63.1 | Low | 53.6 | Low | 133 Ų | 133 | 136.7 Ų | 136.7 | 81% | 0.806 | 79% | 0.792 | S | S | * | * | trans | -120.3 | 117.4 | 161.6 | -69.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 174 | D | 52.9 | Low | 52.7 | Low | 150 Ų | 150 | 138.2 Ų | 138.2 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | -63.9 | 137 | -175 | -61.9 | -56.7 | 0 | 0 | 0 | 111.3 | V176 | D174-V176 PolarHBondContact O-N 3.47Š| ||
| 175 | Y | 56.9 | Low | 52.4 | Low | 227 Ų | 227 | 140.1 Ų | 140.1 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | trans | -61.8 | 117.2 | 164.8 | -111.6 | -98 | 0 | 0 | 0 | 108.3 | T177 | Y175-T177 PolarHBondContact O-N 3.11Š| ||
| 176 | V | 59 | Low | 52.4 | Low | 142 Ų | 142 | 140.1 Ų | 140.1 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | trans | -65.2 | 111.5 | 176.3 | 90.2 | 0 | 0 | 0 | 0 | 109 | D174 S178 | D174-V176 PolarHBondContact O-N 3.47Å; V176-S178 PolarHBondContact O-N 2.92Å | ||
| 177 | T | 55.3 | Low | 51.9 | Low | 128 Ų | 128 | 136.3 Ų | 136.3 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 117.6 | 168.9 | -68.9 | 0 | 0 | 0 | 0 | 108.9 | Y175 | Y175-T177 PolarHBondContact O-N 3.11Š|
| 178 | S | 56.4 | Low | 52.2 | Low | 118 Ų | 118 | 137.5 Ų | 137.5 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 138.3 | 159.7 | -167.7 | 0 | 0 | 0 | 0 | 109 | V176 | V176-S178 PolarHBondContact O-N 2.92Š|
| 179 | A | 51.8 | Low | 52.9 | Low | 92 Ų | 92 | 137.3 Ų | 137.3 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -64 | 143 | -165 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 180 | Q | 49.6 | Very low | 53 | Low | 176 Ų | 176 | 137 Ų | 137 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | trans | -22 | 161.5 | 151.3 | -83.9 | -160.3 | -23.6 | 0 | 0 | 118 | ||||
| 181 | P | 44.1 | Very low | 53.3 | Low | 117 Ų | 117 | 136.8 Ų | 136.8 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | cis | -145.5 | 148.9 | 44.2 | 34.9 | -11.9 | 0 | 0 | 0 | 120.1 | ||||
| 182 | A | 45.7 | Very low | 52.5 | Low | 84 Ų | 84 | 137.2 Ų | 137.2 | 69% | 0.694 | 80% | 0.8 | S | S | * | * | trans | 47.2 | 102.5 | 140.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 183 | E | 48.4 | Very low | 52.4 | Low | 202 Ų | 202 | 139 Ų | 139 | 94% | 0.944 | 80% | 0.802 | S | S | * | * | -148.1 | 147.2 | 127.1 | -82.2 | -145.6 | 119.7 | 0 | 0 | 110.4 | |||||
| 184 | Q | 43.9 | Very low | 51.4 | Low | 194 Ų | 194 | 138.4 Ų | 138.4 | 91% | 0.907 | 80% | 0.803 | S | S | * | * | trans | -66.2 | 138.3 | -164.6 | -136.7 | 149.2 | -47.3 | 0 | 0 | 113.5 | ||||
| 185 | L | 42.7 | Very low | 50.8 | Low | 165 Ų | 165 | 138.8 Ų | 138.8 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | trans | -135.6 | 120.5 | 166.7 | -111.3 | 164.3 | 0 | 0 | 0 | 109.4 | ||||
| 186 | P | 55.8 | Low | 50.1 | Low | 106 Ų | 106 | 132.8 Ų | 132.8 | 69% | 0.688 | 80% | 0.795 | S | S | * | * | trans | -90.3 | 127 | 163.4 | 26.1 | -14.9 | 0 | 0 | 0 | 110.7 | ||||
| 187 | S | 43.8 | Very low | 49.4 | Very low | 109 Ų | 109 | 132.1 Ų | 132.1 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | trans | -46.7 | 125.7 | 161.6 | 167.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 188 | V | 56.6 | Low | 48.6 | Very low | 134 Ų | 134 | 134.8 Ų | 134.8 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | trans | -139.1 | 113.1 | 156 | -169.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 189 | V | 65 | Low | 48 | Very low | 112 Ų | 112 | 138.1 Ų | 138.1 | 68% | 0.679 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 134.4 | 168.5 | -170.7 | 0 | 0 | 0 | 0 | 108.2 | P191 | V189-P191 WeakPolarHBondContact O-CD 3.48Š|
| 190 | P | 60.9 | Low | 47.5 | Very low | 115 Ų | 115 | 142.2 Ų | 142.2 | 75% | 0.747 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 124.6 | 170.1 | 30.6 | -28.4 | 0 | 0 | 0 | 109.6 | ||
| 191 | P | 58.1 | Low | 46.9 | Very low | 110 Ų | 110 | 141.7 Ų | 141.7 | 71% | 0.714 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 144 | 170.4 | 32.1 | -29.9 | 0 | 0 | 0 | 110.8 | V189 T193 | V189-P191 WeakPolarHBondContact O-CD 3.48Å; P191-T193 PolarHBondContact O-N 2.7Å |
| 192 | L | 41 | Very low | 46.8 | Very low | 179 Ų | 179 | 142.2 Ų | 142.2 | 94% | 0.937 | 80% | 0.803 | S | S | * | * | trans | -72 | 115.1 | 166.2 | -66.2 | 168.4 | 0 | 0 | 0 | 108.9 | ||||
| 193 | T | 50.5 | Low | 46.6 | Very low | 127 Ų | 127 | 147.5 Ų | 147.5 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | trans | -143.1 | 119.8 | 160.5 | 48.2 | 0 | 0 | 0 | 0 | 110.8 | P191 | P191-T193 PolarHBondContact O-N 2.7Š| ||
| 194 | S | 40.4 | Very low | 46.6 | Very low | 119 Ų | 119 | 149 Ų | 149 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | -56.5 | 130.2 | 163.1 | 40 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 195 | I | 41.3 | Very low | 46.9 | Very low | 159 Ų | 159 | 147.1 Ų | 147.1 | 82% | 0.815 | 80% | 0.796 | S | S | * | * | trans | -159.2 | 103.9 | 155.2 | -125.5 | 164.8 | 0 | 0 | 0 | 105.2 | ||||
| 196 | S | 42.1 | Very low | 47.4 | Very low | 100 Ų | 100 | 145.3 Ų | 145.3 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | 48.1 | 90.9 | 88.8 | -56.8 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 197 | T | 44.2 | Very low | 47 | Very low | 128 Ų | 128 | 147.3 Ų | 147.3 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | 151.4 | 141.8 | 116.1 | 46.9 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 198 | E | 38.4 | Very low | 46.8 | Very low | 185 Ų | 185 | 147.2 Ų | 147.2 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | trans | 71.6 | 83.9 | 165.1 | -67.5 | -176.4 | 112.7 | 0 | 0 | 118.5 | ||||
| 199 | E | 42.9 | Very low | 46.3 | Very low | 188 Ų | 188 | 144.7 Ų | 144.7 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | trans | -134.5 | 98.4 | 140.3 | -91.8 | -161.8 | 126.3 | 0 | 0 | 110.6 | ||||
| 200 | Q | 42.2 | Very low | 45.4 | Very low | 177 Ų | 177 | 150.2 Ų | 150.2 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | trans | 25.4 | 97.6 | 140.9 | -74.6 | 168.5 | -12.3 | 0 | 0 | 117.3 | C202 | Q200-C202 PolarHBondContact O-N 2.99Å; Q200-C202 VanDerWaalsContact O-N 3.11Å | ||
| 201 | H | 37.9 | Very low | 44.6 | Very low | 166 Ų | 166 | 149.4 Ų | 149.4 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | -46.9 | 107.5 | 154.5 | -107.9 | 155.4 | 0 | 0 | 0 | 111.9 | Y203 | H201-Y203 AromaticContact CD2-CD2 3.5Å; H201-Y203 AromaticContact NE2-CD2 3.59Å; H201-Y203 AromaticContact NE2-CE2 3.85Å | ||
| 202 | C | 40.5 | Very low | 44.1 | Very low | 128 Ų | 128 | 148.2 Ų | 148.2 | 87% | 0.865 | 81% | 0.805 | S | S | * | * | trans | -96.7 | 70.6 | 157.5 | -65.7 | 0 | 0 | 0 | 0 | 108.9 | Q200 | Q200-C202 PolarHBondContact O-N 2.99Å; Q200-C202 VanDerWaalsContact O-N 3.11Å | ||
| 203 | Y | 42.9 | Very low | 44.4 | Very low | 194 Ų | 194 | 146.8 Ų | 146.8 | 76% | 0.761 | 80% | 0.803 | S | S | * | * | trans | -90.2 | 108.2 | 167.4 | -110.7 | -94.8 | 0 | 0 | 0 | 109 | H201 Q205 | H201-Y203 AromaticContact CD2-CD2 3.5Å; H201-Y203 AromaticContact NE2-CD2 3.59Å; H201-Y203 AromaticContact NE2-CE2 3.85Å; Y203-Q205 PolarHBondContact O-N 2.95Å | ||
| 204 | Y | 47.2 | Very low | 44.1 | Very low | 233 Ų | 233 | 143.5 Ų | 143.5 | 91% | 0.914 | 80% | 0.795 | S | S | * | * | trans | -73.5 | 102.5 | 167.2 | -123.8 | -91.9 | 0 | 0 | 0 | 108.1 | ||||
| 205 | Q | 50.7 | Low | 44.4 | Very low | 155 Ų | 155 | 146 Ų | 146 | 72% | 0.724 | 79% | 0.793 | S | S | * | * | trans | -81.2 | 131.3 | 161.5 | -78.7 | -168.8 | 3 | 0 | 0 | 109.2 | Y203 N207 | Y203-Q205 PolarHBondContact O-N 2.95Å; Q205-N207 PolarHBondContact O-N 3.09Å | ||
| 206 | P | 52.8 | Low | 44.5 | Very low | 127 Ų | 127 | 150 Ų | 150 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -84.7 | 104.9 | 162.2 | 31.7 | -23.8 | 0 | 0 | 0 | 107.7 | ||||
| 207 | N | 47.3 | Very low | 45.1 | Very low | 149 Ų | 149 | 151.8 Ų | 151.8 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | -84 | 137.1 | 173.4 | -141.7 | 9.2 | 0 | 0 | 0 | 111 | Q205 | Q205-N207 PolarHBondContact O-N 3.09Š| ||
| 208 | S | 39.7 | Very low | 45.1 | Very low | 107 Ų | 107 | 152.4 Ų | 152.4 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | trans | -67.8 | 159.2 | -174.1 | -178.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 209 | A | 45.5 | Very low | 45.5 | Very low | 80 Ų | 80 | 147.7 Ų | 147.7 | 66% | 0.661 | 80% | 0.803 | S | S | * | * | trans | 92.5 | 139.9 | 161.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 210 | Y | 46.4 | Very low | 45.8 | Very low | 228 Ų | 228 | 151.4 Ų | 151.4 | 89% | 0.894 | 81% | 0.809 | S | S | * | * | trans | 94.2 | 73 | 178.8 | -59.9 | -81.6 | 0 | 0 | 0 | 117.2 | ||||
| 211 | A | 44 | Very low | 46 | Very low | 98 Ų | 98 | 151.7 Ų | 151.7 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | 33 | 139.1 | 115.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 212 | A | 47.3 | Very low | 46.8 | Very low | 86 Ų | 86 | 151.5 Ų | 151.5 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | trans | 107.1 | 105 | 153.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 213 | T | 48.5 | Very low | 47.1 | Very low | 148 Ų | 148 | 152.9 Ų | 152.9 | 91% | 0.908 | 81% | 0.814 | S | S | * | * | trans | 72 | 101 | 142.9 | 61.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 214 | G | 44.6 | Very low | 47.5 | Very low | 59 Ų | 59 | 149.7 Ų | 149.7 | 61% | 0.608 | 81% | 0.814 | S | S | * | * | 147.4 | 99.4 | 120.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 215 | H | 46.9 | Very low | 47.6 | Very low | 172 Ų | 172 | 143.6 Ų | 143.6 | 80% | 0.796 | 81% | 0.806 | S | S | * | * | trans | 54.3 | 94.9 | 138.4 | -57.7 | -100.2 | 0 | 0 | 0 | 120.5 | ||||
| 216 | Y | 42.7 | Very low | 47.4 | Very low | 243 Ų | 243 | 141 Ų | 141 | 95% | 0.953 | 81% | 0.81 | S | S | * | * | trans | -153.9 | 91.1 | 130.8 | -67.2 | -68.3 | 0 | 0 | 0 | 109.5 | ||||
| 217 | T | 54.2 | Low | 47.2 | Very low | 136 Ų | 136 | 140.5 Ų | 140.5 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | trans | -115.6 | 128 | 171.6 | 60.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 218 | T | 44 | Very low | 47.3 | Very low | 142 Ų | 142 | 139.8 Ų | 139.8 | 87% | 0.871 | 81% | 0.808 | S | S | * | * | trans | -7.4 | 127.9 | 157.2 | -37 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 219 | A | 47 | Very low | 48.1 | Very low | 85 Ų | 85 | 140.3 Ų | 140.3 | 70% | 0.702 | 81% | 0.807 | S | S | * | * | trans | -165.6 | 104.4 | 149.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 220 | W | 48.9 | Very low | 47.9 | Very low | 267 Ų | 267 | 139.9 Ų | 139.9 | 100% | 1.011 | 81% | 0.809 | S | S | * | * | trans | -122.2 | 37.7 | 153.8 | -82.1 | 92.9 | 0 | 0 | 0 | 109.9 | ||||
| 221 | Q | 46.6 | Very low | 48.3 | Very low | 182 Ų | 182 | 138.6 Ų | 138.6 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | trans | -90.1 | 107 | 167.5 | -101 | 163.5 | -5.6 | 0 | 0 | 108.8 | ||||
| 222 | N | 56.2 | Low | 48.6 | Very low | 163 Ų | 163 | 143.3 Ų | 143.3 | 87% | 0.872 | 81% | 0.81 | S | S | * | * | trans | -135.3 | 120.8 | 150.5 | -81.9 | -36.1 | 0 | 0 | 0 | 107.3 | ||||
| 223 | N | 45.2 | Very low | 49.1 | Very low | 157 Ų | 157 | 145 Ų | 145 | 84% | 0.84 | 81% | 0.811 | S | S | * | * | trans | -18.1 | 138.8 | 155.2 | -99.9 | -44.8 | 0 | 0 | 0 | 113.7 | ||||
| 224 | V | 51.1 | Low | 49.7 | Very low | 127 Ų | 127 | 144.9 Ų | 144.9 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | -163.6 | 129.7 | 70.1 | 169.8 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 225 | S | 50.1 | Low | 50.5 | Low | 105 Ų | 105 | 150.2 Ų | 150.2 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | trans | 53.7 | 105 | 152.6 | -57.7 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 226 | A | 46.5 | Very low | 51.3 | Low | 99 Ų | 99 | 147.9 Ų | 147.9 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | 41.3 | 160.9 | 128.2 | 0 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 227 | P | 48.6 | Very low | 52.2 | Low | 117 Ų | 117 | 144 Ų | 144 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | cis | -129 | 154.8 | -17 | 33.3 | -14 | 0 | 0 | 0 | 115.7 | ||||
| 228 | V | 48.5 | Very low | 52.8 | Low | 135 Ų | 135 | 142.2 Ų | 142.2 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | 16.8 | 110.2 | 143.9 | -175.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 229 | V | 56.3 | Low | 54 | Low | 118 Ų | 118 | 141.1 Ų | 141.1 | 72% | 0.715 | 79% | 0.789 | S | S | * | * | trans | -137.5 | 110.8 | 138.5 | -178.9 | 0 | 0 | 0 | 0 | 107.4 | Y231 | V229-Y231 HydrophobicContact CG1-CD2 4.35Å; V229-Y231 HydrophobicContact CG1-CE2 3.85Å; V229-Y231 PolarHBondContact O-N 3.08Å | ||
| 230 | G | 41.4 | Very low | 54.9 | Low | 70 Ų | 70 | 144.1 Ų | 144.1 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | -74.1 | 121.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 231 | Y | 55 | Low | 55.2 | Low | 201 Ų | 201 | 136 Ų | 136 | 79% | 0.788 | 78% | 0.776 | S | S | * | * | trans | -111.1 | 113 | 156.4 | -74.1 | -82.2 | 0 | 0 | 0 | 107.8 | V229 V233 | V229-Y231 HydrophobicContact CG1-CD2 4.35Å; V229-Y231 HydrophobicContact CG1-CE2 3.85Å; V229-Y231 PolarHBondContact O-N 3.08Å; Y231-V233 PolarHBondContact O-N 2.72Å | ||
| 232 | Q | 51.6 | Low | 55.7 | Low | 198 Ų | 198 | 137.6 Ų | 137.6 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | trans | -71.1 | 93.4 | 174.1 | -168.9 | 158.1 | -7.6 | 0 | 0 | 108.2 | ||||
| 233 | V | 57.7 | Low | 56 | Low | 121 Ų | 121 | 138.3 Ų | 138.3 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | trans | -93.8 | 104 | 176.4 | 178 | 0 | 0 | 0 | 0 | 108.8 | Y231 | Y231-V233 PolarHBondContact O-N 2.72Š| ||
| 234 | N | 60.9 | Low | 57.4 | Low | 146 Ų | 146 | 136.1 Ų | 136.1 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | trans | 35 | 110.5 | 152.8 | -69.7 | -57.7 | 0 | 0 | 0 | 118.3 | ||||
| 235 | Q | 60.2 | Low | 57.6 | Low | 171 Ų | 171 | 136.3 Ų | 136.3 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 143.4 | 161.8 | -67.8 | -89.9 | -30.5 | 0 | 0 | 110.8 | I237 | Q235-I237 PolarHBondContact O-N 3.14Š|
| 236 | P | 64.9 | Low | 58.1 | Low | 122 Ų | 122 | 136.8 Ų | 136.8 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 124.4 | 176.3 | 23.9 | -30.1 | 0 | 0 | 0 | 110.3 | D238 | P236-D238 PolarHBondContact O-N 3.05Š|
| 237 | I | 61 | Low | 58.7 | Low | 161 Ų | 161 | 136.5 Ų | 136.5 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 123.2 | 175.6 | -60.3 | 168.1 | 0 | 0 | 0 | 107.9 | Q235 | Q235-I237 PolarHBondContact O-N 3.14Š|
| 238 | D | 67.9 | Low | 59 | Low | 100 Ų | 100 | 142.5 Ų | 142.5 | 54% | 0.535 | 78% | 0.783 | S | S | . | * | P | Polyproline II helix | trans | -64 | 121.5 | -179.6 | -152.8 | -27.5 | 0 | 0 | 0 | 110.5 | P236 N240 C241 | P236-D238 PolarHBondContact O-N 3.05Å; D238-N240 PolarHBondContact O-N 3.48Å; D238-C241 PolarHBondContact O-N 3.32Å |
| 239 | P | 67.4 | Low | 59.2 | Low | 119 Ų | 119 | 144.9 Ų | 144.9 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -2 | -177 | 25.3 | -33.1 | 0 | 0 | 0 | 114.6 | ||
| 240 | N | 66 | Low | 59.4 | Low | 147 Ų | 147 | 146.3 Ų | 146.3 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | 2 | 176.2 | -77.6 | -35.3 | 0 | 0 | 0 | 114.8 | D238 Y242 | D238-N240 PolarHBondContact O-N 3.48Å; N240-Y242 VanDerWaalsContact C-N 3.31Å; N240-Y242 PolarHBondContact O-N 3.48Å; N240-Y242 VanDerWaalsContact O-N 3.1Å |
| 241 | C | 56.7 | Low | 60.3 | Low | 98 Ų | 98 | 150.3 Ų | 150.3 | 66% | 0.662 | 82% | 0.815 | S | S | * | * | trans | -87 | 67.6 | 174.5 | -69.3 | 0 | 0 | 0 | 0 | 111.3 | D238 | D238-C241 PolarHBondContact O-N 3.32Š| ||
| 242 | Y | 55.8 | Low | 60.6 | Low | 215 Ų | 215 | 147.4 Ų | 147.4 | 84% | 0.843 | 82% | 0.817 | S | S | * | * | trans | -94.9 | 97.4 | 168.9 | -135.9 | -93.7 | 0 | 0 | 0 | 108.6 | N240 P244 | N240-Y242 VanDerWaalsContact C-N 3.31Å; N240-Y242 PolarHBondContact O-N 3.48Å; N240-Y242 VanDerWaalsContact O-N 3.1Å; Y242-P244 WeakPolarHBondContact O-CD 3.19Å | ||
| 243 | H | 63.8 | Low | 61.2 | Low | 177 Ų | 177 | 144.5 Ų | 144.5 | 82% | 0.819 | 81% | 0.81 | S | S | * | * | trans | -81.9 | 118 | 166 | -91.6 | -80.2 | 0 | 0 | 0 | 108.7 | C245 | H243-C245 PolarHBondContact O-N 3.17Š| ||
| 244 | P | 73.7 | Confident | 61.4 | Low | 111 Ų | 111 | 145.9 Ų | 145.9 | 72% | 0.721 | 82% | 0.815 | S | S | * | * | trans | -71.1 | 115.7 | 170.7 | 27.9 | -30 | 0 | 0 | 0 | 108.8 | Y242 S246 | Y242-P244 WeakPolarHBondContact O-CD 3.19Å; P244-S246 PolarHBondContact O-N 3.02Å | ||
| 245 | C | 56 | Low | 61.4 | Low | 131 Ų | 131 | 145.9 Ų | 145.9 | 89% | 0.885 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 116.6 | 165.8 | -120.9 | 0 | 0 | 0 | 0 | 108 | H243 A247 | H243-C245 PolarHBondContact O-N 3.17Å; C245-A247 PolarHBondContact O-N 3.43Å |
| 246 | S | 59.8 | Low | 61.5 | Low | 116 Ų | 116 | 144.1 Ų | 144.1 | 81% | 0.811 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 125.4 | 175.3 | -162.3 | 0 | 0 | 0 | 0 | 109.6 | P244 | P244-S246 PolarHBondContact O-N 3.02Š|
| 247 | A | 59.2 | Low | 61.2 | Low | 92 Ų | 92 | 145.8 Ų | 145.8 | 76% | 0.76 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -70 | 127.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | C245 S249 | C245-A247 PolarHBondContact O-N 3.43Å; A247-S249 PolarHBondContact O-N 3.21Å |
| 248 | Y | 56.2 | Low | 61.2 | Low | 244 Ų | 244 | 144.6 Ų | 144.6 | 96% | 0.957 | 82% | 0.821 | S | S | * | * | trans | -79.2 | 102.6 | 158.4 | -108.1 | -97.9 | 0 | 0 | 0 | 107.7 | ||||
| 249 | S | 52.4 | Low | 60.6 | Low | 185 Ų | 185 | 148.6 Ų | 148.6 | 100% | 1.294 | 85% | 0.847 | S | S | * | * | trans | 178.9 | 0 | 137.8 | -168.3 | 0 | 0 | 0 | 0 | 110.4 | A247 | A247-S249 PolarHBondContact O-N 3.21Š|
Retrieved 249 of 249 residues in 48.4 ms
(Link to these results)