| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.3 | Very low | 56.6 | Low | 247 Ų | 247 | 116.1 Ų | 116.1 | 100% | 1.217 | 69% | 0.69 | S | S | * | * | 0 | 121 | 0 | -68.1 | 173.6 | 177.2 | 0 | 0 | 106.5 | |||||
| 2 | T | 39.5 | Very low | 59 | Low | 144 Ų | 144 | 114.9 Ų | 114.9 | 88% | 0.883 | 67% | 0.672 | S | S | * | * | trans | -106.2 | 118.8 | -174.6 | -44.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 3 | A | 41.1 | Very low | 61.4 | Low | 90 Ų | 90 | 116.3 Ų | 116.3 | 74% | 0.744 | 66% | 0.659 | S | S | * | * | trans | -71.5 | 131.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 4 | P | 51 | Low | 63.5 | Low | 118 Ų | 118 | 114.3 Ų | 114.3 | 77% | 0.766 | 64% | 0.643 | S | S | * | * | trans | -67.7 | 143.7 | 172.2 | 29.3 | -33.7 | 0 | 0 | 0 | 110 | M6 | P4-M6 PolarHBondContact O-N 2.79Å; P4-M6 VanDerWaalsContact O-N 3.15Å | ||
| 5 | S | 49.6 | Very low | 65.2 | Low | 90 Ų | 90 | 111.2 Ų | 111.2 | 63% | 0.629 | 62% | 0.621 | S | S | * | * | trans | -65.2 | 114.6 | -178.6 | -176.7 | 0 | 0 | 0 | 0 | 111 | E7 | S5-E7 PolarHBondContact O-N 3.42Š| ||
| 6 | M | 56.2 | Low | 66.8 | Low | 172 Ų | 172 | 113 Ų | 113 | 85% | 0.847 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -66.7 | -21.7 | 177.5 | -68.8 | -177.6 | 65.8 | 0 | 0 | 112.7 | P4 A9 | P4-M6 PolarHBondContact O-N 2.79Å; P4-M6 VanDerWaalsContact O-N 3.15Å; M6-A9 PolarHBondContact O-N 3.03Å |
| 7 | E | 54.1 | Low | 68.5 | Low | 160 Ų | 160 | 112.1 Ų | 112.1 | 75% | 0.748 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -75 | -37.1 | -175 | -163.3 | 155.3 | -165.5 | 0 | 0 | 112.1 | S5 A9 D10 V11 | S5-E7 PolarHBondContact O-N 3.42Å; E7-A9 PolarHBondContact O-N 2.64Å; E7-D10 PolarHBondContact O-N 3.23Å; E7-V11 PolarHBondContact O-N 2.97Å |
| 8 | G | 62 | Low | 69.9 | Low | 29 Ų | 29 | 112.3 Ų | 112.3 | 30% | 0.299 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63.9 | -27.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | V11 H12 | G8-V11 PolarHBondContact O-N 3.37Å; G8-H12 PolarHBondContact O-CD2 3.36Å; G8-H12 PolarHBondContact O-N 3.14Å |
| 9 | A | 69.1 | Low | 71.1 | Confident | 63 Ų | 63 | 109.1 Ų | 109.1 | 52% | 0.521 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.9 | -39.1 | -179 | 0 | 0 | 0 | 0 | 0 | 112.8 | M6 E7 R13 | M6-A9 PolarHBondContact O-N 3.03Å; E7-A9 PolarHBondContact O-N 2.64Å; A9-R13 WeakPolarHBondContact O-CB 3.23Å; A9-R13 PolarHBondContact O-N 3.09Å; A9-R13 VanDerWaalsContact O-N 3.1Å |
| 10 | D | 80.6 | Confident | 72.4 | Confident | 77 Ų | 77 | 110.4 Ų | 110.4 | 41% | 0.412 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -77.9 | -27.1 | 176 | -156.2 | 46.7 | 0 | 0 | 0 | 112.2 | E7 R13 M14 | E7-D10 PolarHBondContact O-N 3.23Å; D10-R13 PolarHBondContact O-N 2.97Å; D10-R13 WeakPolarHBondContact OD1-CD 3.44Å; D10-R13 IonicContact OD1-CZ 3.98Å; D10-R13 IonicContact OD1-NE 3.67Å; D10-R13 IonicContact OD1-NH1 2.55Å; D10-R13 PolarHBondContact OD1-NH1 3.28Å; D10-M14 VanDerWaalsContact O-CB 3.29Å; D10-M14 WeakPolarHBondContact O-CB 3.27Å; D10-M14 PolarHBondContact O-N 3.47Å |
| 11 | V | 82.4 | Confident | 73.5 | Confident | 87 Ų | 87 | 112.2 Ų | 112.2 | 53% | 0.527 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61.3 | -51 | 169.9 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | E7 G8 R13 M14 E15 | E7-V11 PolarHBondContact O-N 2.97Å; G8-V11 PolarHBondContact O-N 3.37Å; V11-R13 VanDerWaalsContact C-N 3.34Å; V11-R13 PolarHBondContact O-N 3.36Å; V11-M14 CarbonylContact O-C 3.58Å; V11-M14 WeakPolarHBondContact O-CB 3.49Å; V11-M14 PolarHBondContact O-N 3.39Å; V11-M14 VanDerWaalsContact O-N 3.11Å; V11-E15 PolarHBondContact O-N 3.24Å |
| 12 | H | 84.9 | Confident | 76.3 | Confident | 102 Ų | 102 | 105 Ų | 105 | 47% | 0.472 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.3 | -38.6 | 176.1 | -71.4 | -58.9 | 0 | 0 | 0 | 112.6 | G8 M14 E15 Q16 | G8-H12 PolarHBondContact O-CD2 3.36Å; G8-H12 PolarHBondContact O-N 3.14Å; H12-M14 VanDerWaalsContact C-N 3.26Å; H12-M14 PolarHBondContact O-N 3.36Å; H12-E15 IonicContact ND1-OE2 2.69Å; H12-E15 PolarHBondContact O-N 3.16Å; H12-Q16 WeakPolarHBondContact O-CB 3.27Å; H12-Q16 PolarHBondContact O-N 3.48Å |
| 13 | R | 91 | Very high | 79 | Confident | 133 Ų | 133 | 99.6 Ų | 99.6 | 50% | 0.502 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.5 | -32.6 | 173.3 | 178.9 | 173.9 | 169.8 | -101.5 | 7.9 | 112.5 | A9 D10 V11 K17 | A9-R13 WeakPolarHBondContact O-CB 3.23Å; A9-R13 PolarHBondContact O-N 3.09Å; A9-R13 VanDerWaalsContact O-N 3.1Å; D10-R13 PolarHBondContact O-N 2.97Å; D10-R13 WeakPolarHBondContact OD1-CD 3.44Å; D10-R13 IonicContact OD1-CZ 3.98Å; D10-R13 IonicContact OD1-NE 3.67Å; D10-R13 IonicContact OD1-NH1 2.55Å; D10-R13 PolarHBondContact OD1-NH1 3.28Å; V11-R13 VanDerWaalsContact C-N 3.34Å; V11-R13 PolarHBondContact O-N 3.36Å; R13-K17 WeakPolarHBondContact O-CG 3.22Å; R13-K17 PolarHBondContact O-N 2.9Å |
| 14 | M | 90.2 | Very high | 81.7 | Confident | 88 Ų | 88 | 99 Ų | 99 | 43% | 0.433 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -75.7 | -38.8 | 173.5 | -168 | 66.7 | 71.7 | 0 | 0 | 111.9 | D10 V11 H12 K17 K18 | D10-M14 VanDerWaalsContact O-CB 3.29Å; D10-M14 WeakPolarHBondContact O-CB 3.27Å; D10-M14 PolarHBondContact O-N 3.47Å; V11-M14 CarbonylContact O-C 3.58Å; V11-M14 WeakPolarHBondContact O-CB 3.49Å; V11-M14 PolarHBondContact O-N 3.39Å; V11-M14 VanDerWaalsContact O-N 3.11Å; H12-M14 VanDerWaalsContact C-N 3.26Å; H12-M14 PolarHBondContact O-N 3.36Å; M14-K17 PolarHBondContact O-N 3.39Å; M14-K18 VanDerWaalsContact O-CG 3.31Å; M14-K18 WeakPolarHBondContact O-CG 3.46Å; M14-K18 PolarHBondContact O-N 2.88Å |
| 15 | E | 88.3 | Confident | 83.9 | Confident | 68 Ų | 68 | 97.8 Ų | 97.8 | 32% | 0.318 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.1 | -47.9 | 170.3 | -73 | -158.1 | 119.1 | 0 | 0 | 111.2 | V11 H12 K17 K18 L19 K40 | V11-E15 PolarHBondContact O-N 3.24Å; H12-E15 IonicContact ND1-OE2 2.69Å; H12-E15 PolarHBondContact O-N 3.16Å; E15-K17 VanDerWaalsContact C-N 3.34Å; E15-K17 PolarHBondContact O-N 3.22Å; E15-K18 WeakPolarHBondContact O-CB 3.24Å; E15-K18 PolarHBondContact O-N 3.02Å; E15-K18 VanDerWaalsContact O-N 3.12Å; E15-L19 PolarHBondContact O-N 3.37Å; E15-K40 IonicContact OE1-NZ 2.64Å; E15-K40 PolarHBondContact OE1-NZ 2.97Å; E15-K40 IonicContact OE2-NZ 3.14Å; E15-K40 PolarHBondContact OE2-NZ 3.45Å |
| 16 | Q | 91.9 | Very high | 86.1 | Confident | 140 Ų | 140 | 97.2 Ų | 97.2 | 65% | 0.654 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -60.2 | -42.5 | -179.8 | -169.2 | 176 | 19.1 | 0 | 0 | 112 | H12 L19 E20 | H12-Q16 WeakPolarHBondContact O-CB 3.27Å; H12-Q16 PolarHBondContact O-N 3.48Å; Q16-L19 PolarHBondContact O-N 3.03Å; Q16-E20 WeakPolarHBondContact O-CB 3.45Å; Q16-E20 PolarHBondContact O-N 3.17Å |
| 17 | K | 95.1 | Very high | 88.1 | Confident | 97 Ų | 97 | 93.8 Ų | 93.8 | 42% | 0.422 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.4 | -37 | 174.2 | -75.2 | 176.1 | 177.1 | -177 | 0 | 113.4 | R13 M14 E15 Y21 | R13-K17 WeakPolarHBondContact O-CG 3.22Å; R13-K17 PolarHBondContact O-N 2.9Å; M14-K17 PolarHBondContact O-N 3.39Å; E15-K17 VanDerWaalsContact C-N 3.34Å; E15-K17 PolarHBondContact O-N 3.22Å; K17-Y21 VanDerWaalsContact O-CB 3.26Å; K17-Y21 WeakPolarHBondContact O-CB 3.39Å; K17-Y21 PolarHBondContact O-N 2.84Å |
| 18 | K | 93.5 | Very high | 90.1 | Very high | 116 Ų | 116 | 91.8 Ų | 91.8 | 50% | 0.504 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.5 | -46.2 | 173 | -72 | 166.7 | 179.8 | 176.6 | 0 | 110.1 | M14 E15 Y21 F22 | M14-K18 VanDerWaalsContact O-CG 3.31Å; M14-K18 WeakPolarHBondContact O-CG 3.46Å; M14-K18 PolarHBondContact O-N 2.88Å; E15-K18 WeakPolarHBondContact O-CB 3.24Å; E15-K18 PolarHBondContact O-N 3.02Å; E15-K18 VanDerWaalsContact O-N 3.12Å; K18-Y21 PolarHBondContact O-N 3.23Å; K18-F22 HydrophobicContact CB-CD2 4.35Å; K18-F22 HydrophobicContact CB-CE2 4.37Å; K18-F22 WeakPolarHBondContact O-CD2 3.5Å; K18-F22 PolarHBondContact O-N 3.47Å |
| 19 | L | 93.6 | Very high | 91.8 | Very high | 51 Ų | 51 | 91.2 Ų | 91.2 | 27% | 0.267 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.9 | -47.1 | 179 | -167 | 75.8 | 0 | 0 | 0 | 111.5 | E15 Q16 S23 M33 E37 | E15-L19 PolarHBondContact O-N 3.37Å; Q16-L19 PolarHBondContact O-N 3.03Å; L19-S23 WeakPolarHBondContact O-CB 3.34Å; L19-S23 PolarHBondContact O-N 2.97Å; L19-S23 PolarHBondContact O-OG 2.79Å; L19-M33 HydrophobicContact CD1-CB 3.86Å; L19-M33 HydrophobicContact CD1-CG 4.38Å; L19-M33 HydrophobicContact CD1-SD 4.25Å; L19-E37 WeakPolarHBondContact CD2-OE1 3.36Å |
| 20 | E | 96.1 | Very high | 93.1 | Very high | 135 Ų | 135 | 95.1 Ų | 95.1 | 63% | 0.631 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -57.4 | -50.7 | 174.1 | -177.8 | 178.6 | -159.4 | 0 | 0 | 111.3 | Q16 S23 S24 | Q16-E20 WeakPolarHBondContact O-CB 3.45Å; Q16-E20 PolarHBondContact O-N 3.17Å; E20-S23 PolarHBondContact O-N 2.87Å; E20-S23 PolarHBondContact O-OG 3.41Å; E20-S23 VanDerWaalsContact O-OG 3.11Å; E20-S24 WeakPolarHBondContact O-CB 3.31Å; E20-S24 PolarHBondContact O-N 2.71Å; E20-S24 VanDerWaalsContact O-N 3.09Å |
| 21 | Y | 96.4 | Very high | 93.9 | Very high | 149 Ų | 149 | 97.4 Ų | 97.4 | 58% | 0.584 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -58.5 | -56.1 | 178.9 | 176.4 | -104.2 | 0 | 0 | 0 | 111.9 | K17 K18 S23 S24 I25 | K17-Y21 VanDerWaalsContact O-CB 3.26Å; K17-Y21 WeakPolarHBondContact O-CB 3.39Å; K17-Y21 PolarHBondContact O-N 2.84Å; K18-Y21 PolarHBondContact O-N 3.23Å; Y21-S23 VanDerWaalsContact C-N 3.35Å; Y21-S23 PolarHBondContact O-N 2.91Å; Y21-S24 WeakPolarHBondContact O-CB 3.44Å; Y21-S24 PolarHBondContact O-N 2.72Å; Y21-S24 VanDerWaalsContact O-N 3.14Å; Y21-S24 PolarHBondContact O-OG 3.11Å; Y21-I25 HydrophobicContact CE1-CD1 4.14Å |
| 22 | F | 96.6 | Very high | 94.5 | Very high | 96 Ų | 96 | 96.8 Ų | 96.8 | 42% | 0.421 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.9 | -33.4 | -177.1 | -71.2 | -62.6 | 0 | 0 | 0 | 113 | K18 S24 I25 A29 M33 | K18-F22 HydrophobicContact CB-CD2 4.35Å; K18-F22 HydrophobicContact CB-CE2 4.37Å; K18-F22 WeakPolarHBondContact O-CD2 3.5Å; K18-F22 PolarHBondContact O-N 3.47Å; F22-S24 VanDerWaalsContact C-N 3.26Å; F22-S24 PolarHBondContact O-N 2.83Å; F22-I25 HydrophobicContact CD1-CD1 3.79Å; F22-I25 HydrophobicContact CE1-CD1 4.48Å; F22-I25 PolarHBondContact O-N 3.47Å; F22-A29 VanDerWaalsContact O-CB 3.27Å; F22-A29 WeakPolarHBondContact O-CB 3.3Å; F22-M33 HydrophobicContact CB-CG 3.68Å; F22-M33 HydrophobicContact CB-SD 3.62Å; F22-M33 HydrophobicContact CD2-SD 4.38Å; F22-M33 HydrophobicContact CG-SD 4.3Å |
| 23 | S | 95.8 | Very high | 95 | Very high | 31 Ų | 31 | 93.6 Ų | 93.6 | 22% | 0.217 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -74.6 | -12.7 | 175.6 | 67.9 | 0 | 0 | 0 | 0 | 114.4 | L19 E20 Y21 R30 | L19-S23 WeakPolarHBondContact O-CB 3.34Å; L19-S23 PolarHBondContact O-N 2.97Å; L19-S23 PolarHBondContact O-OG 2.79Å; E20-S23 PolarHBondContact O-N 2.87Å; E20-S23 PolarHBondContact O-OG 3.41Å; E20-S23 VanDerWaalsContact O-OG 3.11Å; Y21-S23 VanDerWaalsContact C-N 3.35Å; Y21-S23 PolarHBondContact O-N 2.91Å; S23-R30 WeakPolarHBondContact O-CB 3.38Å; S23-R30 PolarHBondContact O-NE 3.17Å |
| 24 | S | 97.1 | Very high | 95.2 | Very high | 77 Ų | 77 | 93.5 Ų | 93.5 | 54% | 0.538 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -81.5 | -28.9 | 174 | 79 | 0 | 0 | 0 | 0 | 113.7 | E20 Y21 F22 N26 | E20-S24 WeakPolarHBondContact O-CB 3.31Å; E20-S24 PolarHBondContact O-N 2.71Å; E20-S24 VanDerWaalsContact O-N 3.09Å; Y21-S24 WeakPolarHBondContact O-CB 3.44Å; Y21-S24 PolarHBondContact O-N 2.72Å; Y21-S24 VanDerWaalsContact O-N 3.14Å; Y21-S24 PolarHBondContact O-OG 3.11Å; F22-S24 VanDerWaalsContact C-N 3.26Å; F22-S24 PolarHBondContact O-N 2.83Å; S24-N26 PolarHBondContact O-N 3.35Å |
| 25 | I | 96.3 | Very high | 95.5 | Very high | 93 Ų | 93 | 92.4 Ų | 92.4 | 48% | 0.477 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -59.8 | -49.8 | -167.7 | -61.1 | 174.7 | 0 | 0 | 0 | 112.5 | Y21 F22 A29 | Y21-I25 HydrophobicContact CE1-CD1 4.14Å; F22-I25 HydrophobicContact CD1-CD1 3.79Å; F22-I25 HydrophobicContact CE1-CD1 4.48Å; F22-I25 PolarHBondContact O-N 3.47Å; I25-A29 HydrophobicContact CB-CB 4.3Å |
| 26 | N | 97.5 | Very high | 95.8 | Very high | 77 Ų | 77 | 93 Ų | 93 | 41% | 0.412 | 45% | 0.448 | S | S | . | . | trans | -162.1 | 172.8 | 173.3 | 65.6 | 67.6 | 0 | 0 | 0 | 111.1 | S24 M28 A29 R30 | S24-N26 PolarHBondContact O-N 3.35Å; N26-M28 VanDerWaalsContact C-N 3.34Å; N26-M28 PolarHBondContact O-N 3Å; N26-M28 WeakPolarHBondContact OD1-CA 3.48Å; N26-M28 WeakPolarHBondContact OD1-CB 3.45Å; N26-M28 PolarHBondContact OD1-N 3.24Å; N26-A29 PolarHBondContact O-N 3.22Å; N26-A29 PolarHBondContact OD1-N 3.27Å; N26-R30 PolarHBondContact O-N 2.76Å | ||
| 27 | S | 97.3 | Very high | 95.9 | Very high | 100 Ų | 100 | 91.3 Ų | 91.3 | 70% | 0.699 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -63.6 | -32.4 | -178.3 | 51.4 | 0 | 0 | 0 | 0 | 114.3 | K31 | S27-K31 PolarHBondContact O-N 3.31Å; S27-K31 VanDerWaalsContact O-N 3.12Å |
| 28 | M | 97 | Very high | 95.9 | Very high | 118 Ų | 118 | 89 Ų | 89 | 58% | 0.581 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -73.4 | -42.7 | 175.5 | -168.7 | 65.3 | 74.7 | 0 | 0 | 111 | N26 R30 K31 I32 | N26-M28 VanDerWaalsContact C-N 3.34Å; N26-M28 PolarHBondContact O-N 3Å; N26-M28 WeakPolarHBondContact OD1-CA 3.48Å; N26-M28 WeakPolarHBondContact OD1-CB 3.45Å; N26-M28 PolarHBondContact OD1-N 3.24Å; M28-R30 VanDerWaalsContact C-N 3.3Å; M28-R30 PolarHBondContact O-N 3.32Å; M28-K31 WeakPolarHBondContact O-CB 3.23Å; M28-K31 PolarHBondContact O-N 3.06Å; M28-K31 VanDerWaalsContact O-N 3.09Å; M28-I32 HydrophobicContact CG-CD1 3.95Å; M28-I32 VanDerWaalsContact O-CG1 3.32Å; M28-I32 WeakPolarHBondContact O-CG1 3.14Å; M28-I32 PolarHBondContact O-N 2.94Å |
| 29 | A | 96.8 | Very high | 96 | Very high | 18 Ų | 18 | 83.8 Ų | 83.8 | 15% | 0.149 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -60.6 | -40.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | F22 I25 N26 I32 M33 | F22-A29 VanDerWaalsContact O-CB 3.27Å; F22-A29 WeakPolarHBondContact O-CB 3.3Å; I25-A29 HydrophobicContact CB-CB 4.3Å; N26-A29 PolarHBondContact O-N 3.22Å; N26-A29 PolarHBondContact OD1-N 3.27Å; A29-I32 PolarHBondContact O-N 2.89Å; A29-M33 WeakPolarHBondContact O-CB 3.3Å; A29-M33 VanDerWaalsContact O-CG 3.3Å; A29-M33 WeakPolarHBondContact O-CG 3.47Å; A29-M33 PolarHBondContact O-N 3.05Å |
| 30 | R | 96.6 | Very high | 96 | Very high | 145 Ų | 145 | 83.9 Ų | 83.9 | 55% | 0.547 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -57 | -47.7 | 169.7 | -171.1 | 177.4 | -56.4 | 166.9 | 5.3 | 112.5 | S23 N26 M28 M33 Q34 | S23-R30 WeakPolarHBondContact O-CB 3.38Å; S23-R30 PolarHBondContact O-NE 3.17Å; N26-R30 PolarHBondContact O-N 2.76Å; M28-R30 VanDerWaalsContact C-N 3.3Å; M28-R30 PolarHBondContact O-N 3.32Å; R30-M33 PolarHBondContact O-N 3.18Å; R30-Q34 WeakPolarHBondContact O-CB 3.34Å; R30-Q34 PolarHBondContact O-N 3.21Å |
| 31 | K | 96.7 | Very high | 96 | Very high | 124 Ų | 124 | 84.2 Ų | 84.2 | 54% | 0.539 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 177.9 | -170.9 | -174.8 | 175.8 | -170.1 | 0 | 111.7 | S27 M28 M33 Q34 E35 | S27-K31 PolarHBondContact O-N 3.31Å; S27-K31 VanDerWaalsContact O-N 3.12Å; M28-K31 WeakPolarHBondContact O-CB 3.23Å; M28-K31 PolarHBondContact O-N 3.06Å; M28-K31 VanDerWaalsContact O-N 3.09Å; K31-M33 PolarHBondContact O-N 3.27Å; K31-Q34 PolarHBondContact O-N 2.8Å; K31-E35 WeakPolarHBondContact O-CB 3.29Å; K31-E35 PolarHBondContact O-N 3.4Å |
| 32 | I | 95.8 | Very high | 95.9 | Very high | 75 Ų | 75 | 85.9 Ų | 85.9 | 39% | 0.385 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 178.9 | -66.5 | 162.9 | 0 | 0 | 0 | 111 | M28 A29 E35 R36 M63 | M28-I32 HydrophobicContact CG-CD1 3.95Å; M28-I32 VanDerWaalsContact O-CG1 3.32Å; M28-I32 WeakPolarHBondContact O-CG1 3.14Å; M28-I32 PolarHBondContact O-N 2.94Å; A29-I32 PolarHBondContact O-N 2.89Å; I32-E35 PolarHBondContact O-N 2.87Å; I32-R36 WeakPolarHBondContact O-CB 3.49Å; I32-R36 PolarHBondContact O-N 2.94Å; I32-M63 HydrophobicContact CG1-CE 4.31Å; I32-M63 HydrophobicContact CG2-CE 4.03Å |
| 33 | M | 95.6 | Very high | 95.7 | Very high | 35 Ų | 35 | 84.7 Ų | 84.7 | 17% | 0.172 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 175.1 | -72 | -59.1 | 97.7 | 0 | 0 | 112.4 | L19 F22 A29 R30 K31 R36 E37 | L19-M33 HydrophobicContact CD1-CB 3.86Å; L19-M33 HydrophobicContact CD1-CG 4.38Å; L19-M33 HydrophobicContact CD1-SD 4.25Å; F22-M33 HydrophobicContact CB-CG 3.68Å; F22-M33 HydrophobicContact CB-SD 3.62Å; F22-M33 HydrophobicContact CD2-SD 4.38Å; F22-M33 HydrophobicContact CG-SD 4.3Å; A29-M33 WeakPolarHBondContact O-CB 3.3Å; A29-M33 VanDerWaalsContact O-CG 3.3Å; A29-M33 WeakPolarHBondContact O-CG 3.47Å; A29-M33 PolarHBondContact O-N 3.05Å; R30-M33 PolarHBondContact O-N 3.18Å; K31-M33 PolarHBondContact O-N 3.27Å; M33-R36 PolarHBondContact O-N 3.3Å; M33-E37 WeakPolarHBondContact O-CB 3.4Å; M33-E37 PolarHBondContact O-N 2.8Å |
| 34 | Q | 95.1 | Very high | 95.5 | Very high | 131 Ų | 131 | 85 Ų | 85 | 61% | 0.612 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -66.1 | -40.6 | 176.8 | -174.2 | 176.6 | 12.6 | 0 | 0 | 112.4 | R30 K31 E37 N38 | R30-Q34 WeakPolarHBondContact O-CB 3.34Å; R30-Q34 PolarHBondContact O-N 3.21Å; K31-Q34 PolarHBondContact O-N 2.8Å; Q34-E37 PolarHBondContact O-N 3.18Å; Q34-N38 PolarHBondContact O-N 3.02Å |
| 35 | E | 96.2 | Very high | 95.2 | Very high | 65 Ų | 65 | 85.8 Ų | 85.8 | 30% | 0.304 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.4 | -42.6 | 176.3 | -159.3 | 71.1 | -121.3 | 0 | 0 | 110.7 | K31 I32 E37 N38 I39 M63 | K31-E35 WeakPolarHBondContact O-CB 3.29Å; K31-E35 PolarHBondContact O-N 3.4Å; I32-E35 PolarHBondContact O-N 2.87Å; E35-E37 VanDerWaalsContact C-N 3.31Å; E35-E37 PolarHBondContact O-N 3.09Å; E35-N38 PolarHBondContact O-N 3.22Å; E35-I39 HydrophobicContact CG-CD1 4.4Å; E35-I39 VanDerWaalsContact O-CG1 3.29Å; E35-I39 WeakPolarHBondContact O-CG1 3.46Å; E35-I39 PolarHBondContact O-N 3.2Å; E35-M63 HydrophobicContact CB-SD 3.74Å; E35-M63 HydrophobicContact CG-SD 3.64Å |
| 36 | R | 95.4 | Very high | 95.1 | Very high | 80 Ų | 80 | 85.7 Ų | 85.7 | 30% | 0.302 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58.8 | -40.7 | 173 | -170.5 | -175.4 | -174.1 | -79.1 | -5.5 | 112.2 | I32 M33 K40 I59 | I32-R36 WeakPolarHBondContact O-CB 3.49Å; I32-R36 PolarHBondContact O-N 2.94Å; M33-R36 PolarHBondContact O-N 3.3Å; R36-K40 PolarHBondContact O-N 3.38Å; R36-I59 HydrophobicContact CG-CD1 3.81Å; R36-I59 HydrophobicContact CG-CG1 4.05Å; R36-I59 VanDerWaalsContact NE-CD1 3.28Å |
| 37 | E | 94.3 | Very high | 94.9 | Very high | 105 Ų | 105 | 82.4 Ų | 82.4 | 49% | 0.491 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -67.3 | -40.8 | 175.6 | -174.9 | 165.7 | -121.8 | 0 | 0 | 111.7 | L19 M33 Q34 E35 I39 K40 E41 | L19-E37 WeakPolarHBondContact CD2-OE1 3.36Å; M33-E37 WeakPolarHBondContact O-CB 3.4Å; M33-E37 PolarHBondContact O-N 2.8Å; Q34-E37 PolarHBondContact O-N 3.18Å; E35-E37 VanDerWaalsContact C-N 3.31Å; E35-E37 PolarHBondContact O-N 3.09Å; E37-I39 VanDerWaalsContact C-N 3.35Å; E37-I39 PolarHBondContact O-N 2.87Å; E37-K40 WeakPolarHBondContact O-CB 3.38Å; E37-K40 PolarHBondContact O-N 3.33Å; E37-E41 WeakPolarHBondContact O-CB 3.49Å; E37-E41 PolarHBondContact O-N 2.99Å |
| 38 | N | 95.3 | Very high | 94.6 | Very high | 48 Ų | 48 | 84.8 Ų | 84.8 | 26% | 0.257 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -68.4 | -31.7 | 176.2 | -170.2 | -113.1 | 0 | 0 | 0 | 113 | Q34 E35 E41 R42 | Q34-N38 PolarHBondContact O-N 3.02Å; E35-N38 PolarHBondContact O-N 3.22Å; N38-E41 PolarHBondContact ND2-OE2 3.49Å; N38-E41 PolarHBondContact O-N 3.04Å; N38-R42 VanDerWaalsContact O-CG 3.23Å; N38-R42 WeakPolarHBondContact O-CG 3.49Å; N38-R42 PolarHBondContact O-N 2.87Å; N38-R42 VanDerWaalsContact OD1-CZ 3.24Å; N38-R42 PolarHBondContact OD1-NE 3.5Å; N38-R42 PolarHBondContact OD1-NH2 2.88Å |
| 39 | I | 95.2 | Very high | 94.5 | Very high | 6 Ų | 6 | 86.2 Ų | 86.2 | 3% | 0.031 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -66.1 | -46.3 | 169.9 | -65.1 | 161 | 0 | 0 | 0 | 110.1 | E35 E37 E41 R42 H43 W47 I59 M63 | E35-I39 HydrophobicContact CG-CD1 4.4Å; E35-I39 VanDerWaalsContact O-CG1 3.29Å; E35-I39 WeakPolarHBondContact O-CG1 3.46Å; E35-I39 PolarHBondContact O-N 3.2Å; E37-I39 VanDerWaalsContact C-N 3.35Å; E37-I39 PolarHBondContact O-N 2.87Å; I39-E41 VanDerWaalsContact C-N 3.3Å; I39-E41 PolarHBondContact O-N 3.2Å; I39-R42 PolarHBondContact O-N 3.36Å; I39-H43 PolarHBondContact O-CD2 3.35Å; I39-H43 PolarHBondContact O-N 3.29Å; I39-W47 HydrophobicContact CG2-CZ3 4.38Å; I39-I59 HydrophobicContact CG2-CG1 4.45Å; I39-M63 HydrophobicContact CD1-CG 3.85Å; I39-M63 HydrophobicContact CD1-SD 4.1Å |
| 40 | K | 94.1 | Very high | 94.3 | Very high | 54 Ų | 54 | 86.5 Ų | 86.5 | 24% | 0.235 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -56.7 | -43 | 173.7 | -179.2 | 170.7 | -177.5 | -179.7 | 0 | 111.6 | E15 R36 E37 H43 G44 W47 | E15-K40 IonicContact OE1-NZ 2.64Å; E15-K40 PolarHBondContact OE1-NZ 2.97Å; E15-K40 IonicContact OE2-NZ 3.14Å; E15-K40 PolarHBondContact OE2-NZ 3.45Å; R36-K40 PolarHBondContact O-N 3.38Å; E37-K40 WeakPolarHBondContact O-CB 3.38Å; E37-K40 PolarHBondContact O-N 3.33Å; K40-H43 PolarHBondContact O-N 2.94Å; K40-G44 PolarHBondContact O-N 2.88Å; K40-W47 HydrophobicContact CB-CD2 4.12Å; K40-W47 HydrophobicContact CB-CE3 4.29Å; K40-W47 HydrophobicContact CD-CG 4.5Å; K40-W47 HydrophobicContact CG-CD2 3.8Å; K40-W47 HydrophobicContact CG-CE3 4.44Å; K40-W47 HydrophobicContact CG-CG 3.8Å |
| 41 | E | 94.3 | Very high | 94.3 | Very high | 141 Ų | 141 | 83.3 Ų | 83.3 | 66% | 0.659 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -61.8 | -43.9 | 176.5 | -174.6 | -178.5 | -151.6 | 0 | 0 | 112.7 | E37 N38 I39 H43 G44 | E37-E41 WeakPolarHBondContact O-CB 3.49Å; E37-E41 PolarHBondContact O-N 2.99Å; N38-E41 PolarHBondContact ND2-OE2 3.49Å; N38-E41 PolarHBondContact O-N 3.04Å; I39-E41 VanDerWaalsContact C-N 3.3Å; I39-E41 PolarHBondContact O-N 3.2Å; E41-H43 VanDerWaalsContact C-N 3.3Å; E41-H43 PolarHBondContact O-N 3.12Å; E41-G44 PolarHBondContact O-N 3.3Å; E41-G44 VanDerWaalsContact O-N 3.09Å |
| 42 | R | 94.5 | Very high | 94.1 | Very high | 185 Ų | 185 | 81.8 Ų | 81.8 | 70% | 0.698 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -61.6 | -34.4 | 178 | -72.6 | 164.8 | -165.6 | -111.6 | 6.6 | 113.4 | N38 I39 | N38-R42 VanDerWaalsContact O-CG 3.23Å; N38-R42 WeakPolarHBondContact O-CG 3.49Å; N38-R42 PolarHBondContact O-N 2.87Å; N38-R42 VanDerWaalsContact OD1-CZ 3.24Å; N38-R42 PolarHBondContact OD1-NE 3.5Å; N38-R42 PolarHBondContact OD1-NH2 2.88Å; I39-R42 PolarHBondContact O-N 3.36Å |
| 43 | H | 92.9 | Very high | 94.1 | Very high | 70 Ų | 70 | 84.2 Ų | 84.2 | 32% | 0.324 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -83.1 | -22 | 174.6 | -77.1 | -92.2 | 0 | 0 | 0 | 113 | I39 K40 E41 S45 D46 W47 M50 | I39-H43 PolarHBondContact O-CD2 3.35Å; I39-H43 PolarHBondContact O-N 3.29Å; K40-H43 PolarHBondContact O-N 2.94Å; E41-H43 VanDerWaalsContact C-N 3.3Å; E41-H43 PolarHBondContact O-N 3.12Å; H43-S45 PolarHBondContact O-N 3.09Å; H43-D46 PolarHBondContact O-N 3.29Å; H43-W47 HydrophobicContact CB-CB 4.05Å; H43-W47 HydrophobicContact CB-CE3 3.93Å; H43-W47 PolarHBondContact O-N 2.86Å; H43-M50 HydrophobicContact CB-CE 4.03Å; H43-M50 WeakPolarHBondContact ND1-CE 3.3Å |
| 44 | G | 92.3 | Very high | 94.1 | Very high | 37 Ų | 37 | 87 Ų | 87 | 38% | 0.381 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | 49.6 | -124.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | K40 E41 D46 W47 | K40-G44 PolarHBondContact O-N 2.88Å; E41-G44 PolarHBondContact O-N 3.3Å; E41-G44 VanDerWaalsContact O-N 3.09Å; G44-D46 PolarHBondContact O-N 2.84Å; G44-W47 VanDerWaalsContact O-CB 3.24Å; G44-W47 WeakPolarHBondContact O-CB 3.22Å; G44-W47 PolarHBondContact O-N 3Å; G44-W47 VanDerWaalsContact O-N 3.14Å |
| 45 | S | 91.3 | Very high | 94.1 | Very high | 94 Ų | 94 | 82.8 Ų | 82.8 | 66% | 0.657 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -69 | -10.6 | -179.1 | -51.7 | 0 | 0 | 0 | 0 | 115.2 | H43 K49 | H43-S45 PolarHBondContact O-N 3.09Å; S45-K49 WeakPolarHBondContact O-CE 3.3Å |
| 46 | D | 92.9 | Very high | 94.1 | Very high | 91 Ų | 91 | 83.9 Ų | 83.9 | 49% | 0.487 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -87.8 | -20.2 | 173 | -67.2 | -35.4 | 0 | 0 | 0 | 111.9 | H43 G44 E48 K49 M50 | H43-D46 PolarHBondContact O-N 3.29Å; G44-D46 PolarHBondContact O-N 2.84Å; D46-E48 VanDerWaalsContact C-N 3.29Å; D46-E48 PolarHBondContact O-N 3.21Å; D46-K49 WeakPolarHBondContact O-CB 3.36Å; D46-K49 PolarHBondContact O-N 3.34Å; D46-K49 WeakPolarHBondContact OD1-CE 3.48Å; D46-K49 IonicContact OD1-NZ 3.2Å; D46-K49 PolarHBondContact OD1-NZ 2.7Å; D46-M50 WeakPolarHBondContact O-CG 3.38Å; D46-M50 PolarHBondContact O-N 2.94Å; D46-M50 VanDerWaalsContact O-N 3.11Å |
| 47 | W | 93.4 | Very high | 94.1 | Very high | 8 Ų | 8 | 83.1 Ų | 83.1 | 3% | 0.03 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -54.8 | -43.9 | 174.6 | -175.7 | -85.9 | 0 | 0 | 0 | 112.7 | I39 K40 H43 G44 K49 M50 Q55 A58 I59 | I39-W47 HydrophobicContact CG2-CZ3 4.38Å; K40-W47 HydrophobicContact CB-CD2 4.12Å; K40-W47 HydrophobicContact CB-CE3 4.29Å; K40-W47 HydrophobicContact CD-CG 4.5Å; K40-W47 HydrophobicContact CG-CD2 3.8Å; K40-W47 HydrophobicContact CG-CE3 4.44Å; K40-W47 HydrophobicContact CG-CG 3.8Å; H43-W47 HydrophobicContact CB-CB 4.05Å; H43-W47 HydrophobicContact CB-CE3 3.93Å; H43-W47 PolarHBondContact O-N 2.86Å; G44-W47 VanDerWaalsContact O-CB 3.24Å; G44-W47 WeakPolarHBondContact O-CB 3.22Å; G44-W47 PolarHBondContact O-N 3Å; G44-W47 VanDerWaalsContact O-N 3.14Å; W47-K49 PolarHBondContact O-N 2.95Å; W47-M50 HydrophobicContact CD2-CE 4.12Å; W47-M50 HydrophobicContact CE3-CE 3.41Å; W47-M50 VanDerWaalsContact CE3-CE 3.41Å; W47-M50 HydrophobicContact CZ3-CE 3.82Å; W47-M50 PolarHBondContact O-N 2.98Å; W47-Q55 HydrophobicContact CD2-CG 4.09Å; W47-Q55 VanDerWaalsContact CE2-CD 3.5Å; W47-Q55 HydrophobicContact CE3-CG 4.43Å; W47-Q55 HydrophobicContact CH2-CB 3.59Å; W47-Q55 HydrophobicContact CH2-CG 3.95Å; W47-Q55 WeakPolarHBondContact CH2-O 3.42Å; W47-Q55 HydrophobicContact CZ2-CB 3.52Å; W47-Q55 HydrophobicContact CZ2-CG 3.6Å; W47-Q55 HydrophobicContact CZ3-CB 4.28Å; W47-Q55 HydrophobicContact CZ3-CG 4.37Å; W47-Q55 VanDerWaalsContact NE1-CD 3.33Å; W47-Q55 PolarHBondContact O-NE2 3.4Å; W47-A58 HydrophobicContact CZ3-CB 4.21Å; W47-I59 HydrophobicContact CH2-CD1 3.68Å; W47-I59 HydrophobicContact CH2-CG1 3.78Å; W47-I59 HydrophobicContact CZ2-CD1 4.28Å; W47-I59 HydrophobicContact CZ3-CG1 4.42Å |
| 48 | E | 91.6 | Very high | 94.1 | Very high | 150 Ų | 150 | 78.8 Ų | 78.8 | 70% | 0.701 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -10.4 | 180 | -60.4 | -175.4 | 166 | 0 | 0 | 113.7 | D46 | D46-E48 VanDerWaalsContact C-N 3.29Å; D46-E48 PolarHBondContact O-N 3.21Å |
| 49 | K | 93.8 | Very high | 94.1 | Very high | 149 Ų | 149 | 77.3 Ų | 77.3 | 65% | 0.648 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | -28.6 | 176.7 | -53.6 | 172.5 | -166.9 | 158 | 0 | 112.2 | S45 D46 W47 | S45-K49 WeakPolarHBondContact O-CE 3.3Å; D46-K49 WeakPolarHBondContact O-CB 3.36Å; D46-K49 PolarHBondContact O-N 3.34Å; D46-K49 WeakPolarHBondContact OD1-CE 3.48Å; D46-K49 IonicContact OD1-NZ 3.2Å; D46-K49 PolarHBondContact OD1-NZ 2.7Å; W47-K49 PolarHBondContact O-N 2.95Å |
| 50 | M | 94.2 | Very high | 94 | Very high | 24 Ų | 24 | 82.4 Ų | 82.4 | 12% | 0.118 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -64.7 | 142 | 177.7 | -69.3 | -166 | -61.8 | 0 | 0 | 111.1 | H43 D46 W47 E54 Q55 A58 | H43-M50 HydrophobicContact CB-CE 4.03Å; H43-M50 WeakPolarHBondContact ND1-CE 3.3Å; D46-M50 WeakPolarHBondContact O-CG 3.38Å; D46-M50 PolarHBondContact O-N 2.94Å; D46-M50 VanDerWaalsContact O-N 3.11Å; W47-M50 HydrophobicContact CD2-CE 4.12Å; W47-M50 HydrophobicContact CE3-CE 3.41Å; W47-M50 VanDerWaalsContact CE3-CE 3.41Å; W47-M50 HydrophobicContact CZ3-CE 3.82Å; W47-M50 PolarHBondContact O-N 2.98Å; M50-E54 VanDerWaalsContact CA-OE2 3.3Å; M50-E54 WeakPolarHBondContact CA-OE2 3.35Å; M50-E54 HydrophobicContact CB-CB 4.23Å; M50-E54 HydrophobicContact CB-CG 3.92Å; M50-E54 HydrophobicContact CG-CG 3.95Å; M50-E54 HydrophobicContact SD-CG 3.89Å; M50-Q55 HydrophobicContact CB-CG 3.9Å; M50-Q55 HydrophobicContact CE-CG 4.34Å; M50-Q55 PolarHBondContact O-NE2 3.3Å; M50-A58 HydrophobicContact CE-CB 4.03Å; M50-A58 HydrophobicContact SD-CB 4.45Å |
| 51 | T | 95.9 | Very high | 93.9 | Very high | 78 Ų | 78 | 84.7 Ų | 84.7 | 48% | 0.479 | 45% | 0.446 | S | S | . | . | trans | -68.3 | 159.8 | 174.6 | 63.7 | 0 | 0 | 0 | 0 | 111.4 | N53 E54 Q55 | T51-N53 VanDerWaalsContact C-N 3.33Å; T51-N53 PolarHBondContact O-N 3.15Å; T51-E54 PolarHBondContact N-OE2 3.2Å; T51-E54 CarbonylContact O-C 3.58Å; T51-E54 WeakPolarHBondContact O-CA 3.4Å; T51-E54 WeakPolarHBondContact O-CB 3.47Å; T51-E54 PolarHBondContact O-N 2.9Å; T51-E54 WeakPolarHBondContact OG1-CB 3.47Å; T51-E54 PolarHBondContact OG1-OE2 3.1Å; T51-Q55 PolarHBondContact O-N 3.31Å | ||
| 52 | P | 93.1 | Very high | 93.9 | Very high | 91 Ų | 91 | 79.9 Ų | 79.9 | 59% | 0.591 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -55.5 | -43.8 | 180 | -28.5 | 36.6 | 0 | 0 | 0 | 113.9 | E54 Q55 D56 | P52-E54 PolarHBondContact O-N 3.03Å; P52-Q55 WeakPolarHBondContact O-CB 3.49Å; P52-Q55 PolarHBondContact O-N 3.37Å; P52-D56 PolarHBondContact O-N 2.88Å |
| 53 | N | 95.8 | Very high | 93.8 | Very high | 127 Ų | 127 | 74.7 Ų | 74.7 | 68% | 0.679 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -64.2 | -30.3 | 177.3 | -61.5 | 15.1 | 0 | 0 | 0 | 112.5 | T51 S57 | T51-N53 VanDerWaalsContact C-N 3.33Å; T51-N53 PolarHBondContact O-N 3.15Å; N53-S57 VanDerWaalsContact O-CB 3.3Å; N53-S57 WeakPolarHBondContact O-CB 3.3Å; N53-S57 PolarHBondContact O-N 3.12Å; N53-S57 PolarHBondContact O-OG 3.23Å |
| 54 | E | 95.6 | Very high | 93.7 | Very high | 93 Ų | 93 | 76.6 Ų | 76.6 | 44% | 0.435 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -80.3 | -36.6 | 179.1 | -176.6 | -176.7 | -166.9 | 0 | 0 | 111.3 | M50 T51 P52 S57 A58 | M50-E54 VanDerWaalsContact CA-OE2 3.3Å; M50-E54 WeakPolarHBondContact CA-OE2 3.35Å; M50-E54 HydrophobicContact CB-CB 4.23Å; M50-E54 HydrophobicContact CB-CG 3.92Å; M50-E54 HydrophobicContact CG-CG 3.95Å; M50-E54 HydrophobicContact SD-CG 3.89Å; T51-E54 PolarHBondContact N-OE2 3.2Å; T51-E54 CarbonylContact O-C 3.58Å; T51-E54 WeakPolarHBondContact O-CA 3.4Å; T51-E54 WeakPolarHBondContact O-CB 3.47Å; T51-E54 PolarHBondContact O-N 2.9Å; T51-E54 WeakPolarHBondContact OG1-CB 3.47Å; T51-E54 PolarHBondContact OG1-OE2 3.1Å; P52-E54 PolarHBondContact O-N 3.03Å; E54-S57 PolarHBondContact O-N 3.39Å; E54-A58 VanDerWaalsContact O-CB 3.3Å; E54-A58 WeakPolarHBondContact O-CB 3.15Å; E54-A58 PolarHBondContact O-N 3.38Å |
| 55 | Q | 95.1 | Very high | 93.7 | Very high | 42 Ų | 42 | 78.8 Ų | 78.8 | 20% | 0.196 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -60.2 | -46.9 | 167.6 | -74 | -177.4 | 21.4 | 0 | 0 | 111.6 | W47 M50 T51 P52 A58 I59 | W47-Q55 HydrophobicContact CD2-CG 4.09Å; W47-Q55 VanDerWaalsContact CE2-CD 3.5Å; W47-Q55 HydrophobicContact CE3-CG 4.43Å; W47-Q55 HydrophobicContact CH2-CB 3.59Å; W47-Q55 HydrophobicContact CH2-CG 3.95Å; W47-Q55 WeakPolarHBondContact CH2-O 3.42Å; W47-Q55 HydrophobicContact CZ2-CB 3.52Å; W47-Q55 HydrophobicContact CZ2-CG 3.6Å; W47-Q55 HydrophobicContact CZ3-CB 4.28Å; W47-Q55 HydrophobicContact CZ3-CG 4.37Å; W47-Q55 VanDerWaalsContact NE1-CD 3.33Å; W47-Q55 PolarHBondContact O-NE2 3.4Å; M50-Q55 HydrophobicContact CB-CG 3.9Å; M50-Q55 HydrophobicContact CE-CG 4.34Å; M50-Q55 PolarHBondContact O-NE2 3.3Å; T51-Q55 PolarHBondContact O-N 3.31Å; P52-Q55 WeakPolarHBondContact O-CB 3.49Å; P52-Q55 PolarHBondContact O-N 3.37Å; Q55-A58 PolarHBondContact O-N 2.92Å; Q55-I59 WeakPolarHBondContact O-CG1 3.32Å; Q55-I59 PolarHBondContact O-N 3.13Å |
| 56 | D | 94.9 | Very high | 93.7 | Very high | 89 Ų | 89 | 79.1 Ų | 79.1 | 48% | 0.476 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -66.3 | -40.3 | 176.2 | -71.3 | -23.1 | 0 | 0 | 0 | 111.3 | P52 A58 I59 D60 | P52-D56 PolarHBondContact O-N 2.88Å; D56-A58 VanDerWaalsContact C-N 3.32Å; D56-A58 PolarHBondContact O-N 3.41Å; D56-I59 WeakPolarHBondContact O-CB 3.44Å; D56-I59 PolarHBondContact O-N 2.91Å; D56-D60 PolarHBondContact O-N 2.93Å |
| 57 | S | 94.6 | Very high | 93.7 | Very high | 63 Ų | 63 | 80.7 Ų | 80.7 | 44% | 0.441 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62 | -36.8 | 172.3 | -62.2 | 0 | 0 | 0 | 0 | 112.7 | N53 E54 N61 | N53-S57 VanDerWaalsContact O-CB 3.3Å; N53-S57 WeakPolarHBondContact O-CB 3.3Å; N53-S57 PolarHBondContact O-N 3.12Å; N53-S57 PolarHBondContact O-OG 3.23Å; E54-S57 PolarHBondContact O-N 3.39Å; S57-N61 WeakPolarHBondContact O-CB 3.44Å; S57-N61 PolarHBondContact O-N 2.92Å; S57-N61 PolarHBondContact O-ND2 2.85Å |
| 58 | A | 94.9 | Very high | 93.6 | Very high | 14 Ų | 14 | 83.4 Ų | 83.4 | 12% | 0.116 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -67.9 | -36.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | W47 M50 E54 Q55 D56 G62 | W47-A58 HydrophobicContact CZ3-CB 4.21Å; M50-A58 HydrophobicContact CE-CB 4.03Å; M50-A58 HydrophobicContact SD-CB 4.45Å; E54-A58 VanDerWaalsContact O-CB 3.3Å; E54-A58 WeakPolarHBondContact O-CB 3.15Å; E54-A58 PolarHBondContact O-N 3.38Å; Q55-A58 PolarHBondContact O-N 2.92Å; D56-A58 VanDerWaalsContact C-N 3.32Å; D56-A58 PolarHBondContact O-N 3.41Å; A58-G62 PolarHBondContact O-N 3.32Å |
| 59 | I | 95.2 | Very high | 93.6 | Very high | 18 Ų | 18 | 78.6 Ų | 78.6 | 9% | 0.092 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -63.9 | -52.6 | 172 | -68.8 | 157.8 | 0 | 0 | 0 | 110.5 | R36 I39 W47 Q55 D56 N61 G62 M63 | R36-I59 HydrophobicContact CG-CD1 3.81Å; R36-I59 HydrophobicContact CG-CG1 4.05Å; R36-I59 VanDerWaalsContact NE-CD1 3.28Å; I39-I59 HydrophobicContact CG2-CG1 4.45Å; W47-I59 HydrophobicContact CH2-CD1 3.68Å; W47-I59 HydrophobicContact CH2-CG1 3.78Å; W47-I59 HydrophobicContact CZ2-CD1 4.28Å; W47-I59 HydrophobicContact CZ3-CG1 4.42Å; Q55-I59 WeakPolarHBondContact O-CG1 3.32Å; Q55-I59 PolarHBondContact O-N 3.13Å; D56-I59 WeakPolarHBondContact O-CB 3.44Å; D56-I59 PolarHBondContact O-N 2.91Å; I59-N61 VanDerWaalsContact C-N 3.3Å; I59-N61 PolarHBondContact O-N 3.31Å; I59-G62 PolarHBondContact O-N 3.42Å; I59-G62 VanDerWaalsContact O-N 3.09Å; I59-M63 HydrophobicContact CG2-CG 3.76Å; I59-M63 VanDerWaalsContact O-CB 3.3Å; I59-M63 WeakPolarHBondContact O-CB 3.34Å; I59-M63 WeakPolarHBondContact O-CG 3.4Å; I59-M63 PolarHBondContact O-N 2.73Å |
| 60 | D | 93.3 | Very high | 93.4 | Very high | 113 Ų | 113 | 74.5 Ų | 74.5 | 60% | 0.604 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -59.1 | -40.1 | -178.4 | -83 | -7.9 | 0 | 0 | 0 | 112.5 | D56 M64 | D56-D60 PolarHBondContact O-N 2.93Å; D60-M64 VanDerWaalsContact O-CG 3.23Å; D60-M64 WeakPolarHBondContact O-CG 3.27Å |
| 61 | N | 92.9 | Very high | 93.2 | Very high | 102 Ų | 102 | 79.6 Ų | 79.6 | 55% | 0.545 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -74.3 | -30.3 | 176.3 | -72.7 | -66.8 | 0 | 0 | 0 | 113.2 | S57 I59 | S57-N61 WeakPolarHBondContact O-CB 3.44Å; S57-N61 PolarHBondContact O-N 2.92Å; S57-N61 PolarHBondContact O-ND2 2.85Å; I59-N61 VanDerWaalsContact C-N 3.3Å; I59-N61 PolarHBondContact O-N 3.31Å |
| 62 | G | 93 | Very high | 92.8 | Very high | 40 Ų | 40 | 82.5 Ų | 82.5 | 41% | 0.412 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -79.8 | -31.8 | 177 | 0 | 0 | 0 | 0 | 0 | 114.1 | A58 I59 M64 | A58-G62 PolarHBondContact O-N 3.32Å; I59-G62 PolarHBondContact O-N 3.42Å; I59-G62 VanDerWaalsContact O-N 3.09Å; G62-M64 VanDerWaalsContact C-N 3.26Å; G62-M64 PolarHBondContact O-N 2.92Å |
| 63 | M | 93.3 | Very high | 92.6 | Very high | 76 Ų | 76 | 80.3 Ų | 80.3 | 37% | 0.374 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -72.9 | -18.4 | 176.4 | -71 | -72.3 | -65.3 | 0 | 0 | 112.8 | I32 E35 I39 I59 | I32-M63 HydrophobicContact CG1-CE 4.31Å; I32-M63 HydrophobicContact CG2-CE 4.03Å; E35-M63 HydrophobicContact CB-SD 3.74Å; E35-M63 HydrophobicContact CG-SD 3.64Å; I39-M63 HydrophobicContact CD1-CG 3.85Å; I39-M63 HydrophobicContact CD1-SD 4.1Å; I59-M63 HydrophobicContact CG2-CG 3.76Å; I59-M63 VanDerWaalsContact O-CB 3.3Å; I59-M63 WeakPolarHBondContact O-CB 3.34Å; I59-M63 WeakPolarHBondContact O-CG 3.4Å; I59-M63 PolarHBondContact O-N 2.73Å |
| 64 | M | 91.3 | Very high | 91.8 | Very high | 109 Ų | 109 | 81.1 Ų | 81.1 | 54% | 0.537 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -99.1 | 123.6 | 179.8 | -70.7 | -71.3 | 176.5 | 0 | 0 | 111 | D60 G62 | D60-M64 VanDerWaalsContact O-CG 3.23Å; D60-M64 WeakPolarHBondContact O-CG 3.27Å; G62-M64 VanDerWaalsContact C-N 3.26Å; G62-M64 PolarHBondContact O-N 2.92Å |
| 65 | D | 91.8 | Very high | 90.8 | Very high | 83 Ų | 83 | 83.9 Ų | 83.9 | 44% | 0.444 | 45% | 0.451 | S | S | . | . | trans | -58 | 133.5 | 172.8 | 171.3 | -82.6 | 0 | 0 | 0 | 110.9 | H67 I68 S69 | D65-H67 VanDerWaalsContact C-N 3.25Å; D65-H67 PolarHBondContact O-N 3.4Å; D65-H67 VanDerWaalsContact O-N 3.17Å; D65-H67 VanDerWaalsContact OD1-CA 3.31Å; D65-H67 WeakPolarHBondContact OD1-CA 3.43Å; D65-H67 VanDerWaalsContact OD1-CB 3.27Å; D65-H67 WeakPolarHBondContact OD1-CB 3.29Å; D65-H67 PolarHBondContact OD1-N 2.97Å; D65-I68 HydrophobicContact CB-CB 4.23Å; D65-I68 HydrophobicContact CB-CD1 3.89Å; D65-I68 HydrophobicContact CB-CG1 3.9Å; D65-I68 WeakPolarHBondContact O-CA 3.31Å; D65-I68 WeakPolarHBondContact O-CB 3.44Å; D65-I68 PolarHBondContact O-N 3.48Å; D65-I68 PolarHBondContact OD1-N 3.4Å; D65-S69 PolarHBondContact O-N 3.09Å | ||
| 66 | P | 91.4 | Very high | 89.7 | Confident | 102 Ų | 102 | 91.2 Ų | 91.2 | 66% | 0.662 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -58.4 | -30.6 | -176.5 | -28.7 | 36.1 | 0 | 0 | 0 | 114.9 | A70 | P66-A70 VanDerWaalsContact O-CB 3.27Å; P66-A70 WeakPolarHBondContact O-CB 3.43Å; P66-A70 PolarHBondContact O-N 3.14Å |
| 67 | H | 92 | Very high | 88.1 | Confident | 123 Ų | 123 | 92 Ų | 92 | 57% | 0.569 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -79.7 | -26.1 | 175.9 | 179.8 | 76.3 | 0 | 0 | 0 | 112.4 | D65 R71 | D65-H67 VanDerWaalsContact C-N 3.25Å; D65-H67 PolarHBondContact O-N 3.4Å; D65-H67 VanDerWaalsContact O-N 3.17Å; D65-H67 VanDerWaalsContact OD1-CA 3.31Å; D65-H67 WeakPolarHBondContact OD1-CA 3.43Å; D65-H67 VanDerWaalsContact OD1-CB 3.27Å; D65-H67 WeakPolarHBondContact OD1-CB 3.29Å; D65-H67 PolarHBondContact OD1-N 2.97Å; H67-R71 PolarHBondContact NE2-NE 3.24Å; H67-R71 WeakPolarHBondContact O-CG 3.38Å; H67-R71 PolarHBondContact O-N 3.47Å; H67-R71 PolarHBondContact O-NE 3.07Å |
| 68 | I | 91.8 | Very high | 86.7 | Confident | 66 Ų | 66 | 96.3 Ų | 96.3 | 34% | 0.338 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.8 | -52.1 | 164.5 | -61.7 | 179.7 | 0 | 0 | 0 | 109.5 | D65 A70 R71 Y72 | D65-I68 HydrophobicContact CB-CB 4.23Å; D65-I68 HydrophobicContact CB-CD1 3.89Å; D65-I68 HydrophobicContact CB-CG1 3.9Å; D65-I68 WeakPolarHBondContact O-CA 3.31Å; D65-I68 WeakPolarHBondContact O-CB 3.44Å; D65-I68 PolarHBondContact O-N 3.48Å; D65-I68 PolarHBondContact OD1-N 3.4Å; I68-A70 PolarHBondContact O-N 3.11Å; I68-R71 PolarHBondContact O-N 3.39Å; I68-R71 VanDerWaalsContact O-N 3.16Å; I68-Y72 HydrophobicContact CG2-CD2 3.9Å; I68-Y72 HydrophobicContact CG2-CE2 4.05Å; I68-Y72 WeakPolarHBondContact O-CD2 3.26Å; I68-Y72 PolarHBondContact O-N 2.85Å |
| 69 | S | 91 | Very high | 85.1 | Confident | 48 Ų | 48 | 106.9 Ų | 106.9 | 34% | 0.336 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -55.5 | -48.7 | -179.9 | -173.2 | 0 | 0 | 0 | 0 | 112 | D65 R71 Y72 A73 | D65-S69 PolarHBondContact O-N 3.09Å; S69-R71 PolarHBondContact O-N 3.43Å; S69-Y72 PolarHBondContact O-N 3.09Å; S69-A73 WeakPolarHBondContact O-CB 3.44Å; S69-A73 PolarHBondContact O-N 3.46Å |
| 70 | A | 90.2 | Very high | 83.7 | Confident | 63 Ų | 63 | 114.1 Ų | 114.1 | 52% | 0.521 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -60.6 | -38.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.7 | P66 I68 | P66-A70 VanDerWaalsContact O-CB 3.27Å; P66-A70 WeakPolarHBondContact O-CB 3.43Å; P66-A70 PolarHBondContact O-N 3.14Å; I68-A70 PolarHBondContact O-N 3.11Å |
| 71 | R | 90.6 | Very high | 82.3 | Confident | 132 Ų | 132 | 117.1 Ų | 117.1 | 50% | 0.498 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -67.1 | -36 | 177 | -78 | -174.6 | -65 | 150.6 | -4.4 | 112.7 | H67 I68 S69 | H67-R71 PolarHBondContact NE2-NE 3.24Å; H67-R71 WeakPolarHBondContact O-CG 3.38Å; H67-R71 PolarHBondContact O-N 3.47Å; H67-R71 PolarHBondContact O-NE 3.07Å; I68-R71 PolarHBondContact O-N 3.39Å; I68-R71 VanDerWaalsContact O-N 3.16Å; S69-R71 PolarHBondContact O-N 3.43Å |
| 72 | Y | 87.4 | Confident | 80.9 | Confident | 139 Ų | 139 | 117.1 Ų | 117.1 | 55% | 0.545 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -91.4 | -10.9 | 179.5 | -69 | -72.8 | 0 | 0 | 0 | 114.2 | I68 S69 M74 H75 R76 | I68-Y72 HydrophobicContact CG2-CD2 3.9Å; I68-Y72 HydrophobicContact CG2-CE2 4.05Å; I68-Y72 WeakPolarHBondContact O-CD2 3.26Å; I68-Y72 PolarHBondContact O-N 2.85Å; S69-Y72 PolarHBondContact O-N 3.09Å; Y72-M74 VanDerWaalsContact C-N 3.29Å; Y72-M74 PolarHBondContact O-N 3.39Å; Y72-H75 CarbonylContact O-C 3.4Å; Y72-H75 WeakPolarHBondContact O-CA 3.11Å; Y72-H75 PolarHBondContact O-N 2.85Å; Y72-R76 PolarHBondContact O-N 3.41Å |
| 73 | A | 87.5 | Confident | 79.5 | Confident | 44 Ų | 44 | 123 Ų | 123 | 36% | 0.364 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -56.8 | -39.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S69 H75 R76 | S69-A73 WeakPolarHBondContact O-CB 3.44Å; S69-A73 PolarHBondContact O-N 3.46Å; A73-H75 PolarHBondContact O-N 3.3Å; A73-R76 PolarHBondContact O-N 3.42Å |
| 74 | M | 79.6 | Confident | 78 | Confident | 145 Ų | 145 | 123 Ų | 123 | 71% | 0.714 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -2.1 | 174.8 | -61.4 | -74.8 | 83.4 | 0 | 0 | 114.1 | Y72 | Y72-M74 VanDerWaalsContact C-N 3.29Å; Y72-M74 PolarHBondContact O-N 3.39Å |
| 75 | H | 75.5 | Confident | 76.6 | Confident | 150 Ų | 150 | 126.9 Ų | 126.9 | 69% | 0.694 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.9 | 2.2 | 171.8 | -63.7 | -56.5 | 0 | 0 | 0 | 113 | Y72 A73 | Y72-H75 CarbonylContact O-C 3.4Å; Y72-H75 WeakPolarHBondContact O-CA 3.11Å; Y72-H75 PolarHBondContact O-N 2.85Å; A73-H75 PolarHBondContact O-N 3.3Å |
| 76 | R | 71.3 | Confident | 75.5 | Confident | 197 Ų | 197 | 128.3 Ų | 128.3 | 74% | 0.743 | 64% | 0.638 | S | S | * | * | trans | -83.5 | 7.3 | 167.4 | -81.6 | -174.8 | 150.7 | -174.9 | -5.8 | 113.5 | Y72 A73 D78 | Y72-R76 PolarHBondContact O-N 3.41Å; A73-R76 PolarHBondContact O-N 3.42Å; R76-D78 PolarHBondContact O-N 3.11Å | ||
| 77 | V | 62.3 | Low | 74.3 | Confident | 106 Ų | 106 | 131.9 Ų | 131.9 | 64% | 0.642 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -59.3 | 128.9 | 169.6 | -170.3 | 0 | 0 | 0 | 0 | 107.8 | R79 | V77-R79 PolarHBondContact O-N 3.44Å; V77-R79 VanDerWaalsContact O-N 3.09Å |
| 78 | D | 63.4 | Low | 72.9 | Confident | 153 Ų | 153 | 133 Ų | 133 | 82% | 0.818 | 65% | 0.652 | S | S | * | * | trans | -51 | 121.7 | 169.8 | -84.9 | -52.8 | 0 | 0 | 0 | 108.9 | R76 E80 | R76-D78 PolarHBondContact O-N 3.11Å; D78-E80 PolarHBondContact O-N 3.41Å | ||
| 79 | R | 62.5 | Low | 71.6 | Confident | 235 Ų | 235 | 137.2 Ų | 137.2 | 89% | 0.887 | 68% | 0.675 | S | S | * | * | trans | -71 | 82.9 | 164.3 | -73.9 | -73.4 | -161.8 | 169.3 | 5.8 | 106 | V77 E81 | V77-R79 PolarHBondContact O-N 3.44Å; V77-R79 VanDerWaalsContact O-N 3.09Å; R79-E81 PolarHBondContact O-N 2.84Å; R79-E81 VanDerWaalsContact O-N 3.13Å | ||
| 80 | E | 65.4 | Low | 70.6 | Confident | 171 Ų | 171 | 139.3 Ų | 139.3 | 80% | 0.799 | 68% | 0.682 | S | S | * | * | trans | -38.9 | 121.2 | 165.4 | -176.7 | 136 | -137.5 | 0 | 0 | 107.8 | D78 V82 | D78-E80 PolarHBondContact O-N 3.41Å; E80-V82 VanDerWaalsContact C-N 3.31Å; E80-V82 WeakPolarHBondContact O-CG2 3.07Å; E80-V82 PolarHBondContact O-N 3.01Å | ||
| 81 | E | 63.4 | Low | 69.4 | Low | 175 Ų | 175 | 143.6 Ų | 143.6 | 82% | 0.818 | 69% | 0.691 | S | S | * | * | trans | -68.1 | 90.2 | -160.7 | -169.5 | -171.8 | 166.9 | 0 | 0 | 109.9 | R79 I83 | R79-E81 PolarHBondContact O-N 2.84Å; R79-E81 VanDerWaalsContact O-N 3.13Å; E81-I83 WeakPolarHBondContact O-CG1 3.37Å; E81-I83 PolarHBondContact O-N 3.45Å | ||
| 82 | V | 64.4 | Low | 68.3 | Low | 102 Ų | 102 | 138.8 Ų | 138.8 | 62% | 0.618 | 68% | 0.676 | S | S | * | * | trans | -71 | 110.6 | -162.3 | -154 | 0 | 0 | 0 | 0 | 109.4 | E80 C84 | E80-V82 VanDerWaalsContact C-N 3.31Å; E80-V82 WeakPolarHBondContact O-CG2 3.07Å; E80-V82 PolarHBondContact O-N 3.01Å; V82-C84 HydrophobicContact CB-CB 4.31Å; V82-C84 HydrophobicContact CG1-CB 3.59Å; V82-C84 VanDerWaalsContact CG1-SG 3.52Å; V82-C84 PolarHBondContact O-N 3.26Å | ||
| 83 | I | 64.2 | Low | 67.2 | Low | 165 Ų | 165 | 133.3 Ų | 133.3 | 85% | 0.846 | 66% | 0.662 | S | S | * | * | trans | -74.2 | 43.9 | 175.3 | -37.5 | -180 | 0 | 0 | 0 | 110.2 | E81 | E81-I83 WeakPolarHBondContact O-CG1 3.37Å; E81-I83 PolarHBondContact O-N 3.45Å | ||
| 84 | C | 61.6 | Low | 66.2 | Low | 74 Ų | 74 | 137 Ų | 137 | 50% | 0.5 | 67% | 0.671 | S | S | . | * | trans | -105.3 | 23.6 | -172.6 | 71.3 | 0 | 0 | 0 | 0 | 114.3 | V82 | V82-C84 HydrophobicContact CB-CB 4.31Å; V82-C84 HydrophobicContact CG1-CB 3.59Å; V82-C84 VanDerWaalsContact CG1-SG 3.52Å; V82-C84 PolarHBondContact O-N 3.26Å | ||
| 85 | Y | 61.5 | Low | 65.8 | Low | 191 Ų | 191 | 134.5 Ų | 134.5 | 75% | 0.749 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -123 | 124.4 | 164.2 | -65.6 | -75.9 | 0 | 0 | 0 | 109.2 | K87 | Y85-K87 PolarHBondContact O-N 2.69Š|
| 86 | P | 68.9 | Low | 65.8 | Low | 114 Ų | 114 | 132.2 Ų | 132.2 | 74% | 0.74 | 65% | 0.649 | S | S | * | * | trans | -63.5 | 107.9 | 168.2 | 27.3 | -31.8 | 0 | 0 | 0 | 107.4 | L88 | P86-L88 PolarHBondContact O-N 2.91Š| ||
| 87 | K | 65.1 | Low | 66.1 | Low | 176 Ų | 176 | 125.2 Ų | 125.2 | 77% | 0.765 | 63% | 0.628 | S | S | * | * | trans | -61.3 | 108.1 | 172.9 | -67 | -177.5 | 179.7 | -179.8 | 0 | 106.9 | Y85 L89 | Y85-K87 PolarHBondContact O-N 2.69Å; K87-L89 VanDerWaalsContact C-N 3.35Å; K87-L89 HydrophobicContact CB-CD1 3.89Å; K87-L89 WeakPolarHBondContact O-CD1 3.49Å; K87-L89 PolarHBondContact O-N 2.93Å | ||
| 88 | L | 63.4 | Low | 67 | Low | 146 Ų | 146 | 126 Ų | 126 | 76% | 0.764 | 62% | 0.624 | S | S | * | * | trans | -72.1 | 92.9 | 176.2 | -69.9 | 172.3 | 0 | 0 | 0 | 107.9 | P86 I90 | P86-L88 PolarHBondContact O-N 2.91Å; L88-I90 HydrophobicContact CB-CD1 4.3Å; L88-I90 HydrophobicContact CB-CG1 4.03Å; L88-I90 PolarHBondContact O-N 3.36Å | ||
| 89 | L | 65.2 | Low | 67.3 | Low | 156 Ų | 156 | 126.2 Ų | 126.2 | 82% | 0.817 | 62% | 0.618 | S | S | * | * | trans | -70.8 | 76.8 | 171.4 | -84 | 70.8 | 0 | 0 | 0 | 109 | K87 | K87-L89 VanDerWaalsContact C-N 3.35Å; K87-L89 HydrophobicContact CB-CD1 3.89Å; K87-L89 WeakPolarHBondContact O-CD1 3.49Å; K87-L89 PolarHBondContact O-N 2.93Å | ||
| 90 | I | 68.6 | Low | 67.9 | Low | 92 Ų | 92 | 118 Ų | 118 | 47% | 0.472 | 61% | 0.606 | S | S | . | * | trans | -79.7 | 119.7 | 176.7 | -58.3 | 177.2 | 0 | 0 | 0 | 108.5 | L88 T92 P113 | L88-I90 HydrophobicContact CB-CD1 4.3Å; L88-I90 HydrophobicContact CB-CG1 4.03Å; L88-I90 PolarHBondContact O-N 3.36Å; I90-T92 VanDerWaalsContact C-N 3.31Å; I90-T92 HydrophobicContact CB-CG2 4.34Å; I90-T92 HydrophobicContact CG2-CG2 3.85Å; I90-T92 PolarHBondContact O-N 2.64Å; I90-P113 HydrophobicContact CG2-CB 3.82Å; I90-P113 HydrophobicContact CG2-CG 3.61Å | ||
| 91 | Q | 65.9 | Low | 68.2 | Low | 153 Ų | 153 | 118.4 Ų | 118.4 | 72% | 0.715 | 61% | 0.614 | S | S | * | * | trans | -74.9 | 82.8 | 172.4 | -71.8 | 179.7 | -32.4 | 0 | 0 | 110.4 | ||||
| 92 | T | 67.9 | Low | 68.5 | Low | 31 Ų | 31 | 116.5 Ų | 116.5 | 19% | 0.19 | 61% | 0.605 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -73.4 | 137.9 | 177.8 | 59.5 | 0 | 0 | 0 | 0 | 111.4 | I90 Q94 P113 | I90-T92 VanDerWaalsContact C-N 3.31Å; I90-T92 HydrophobicContact CB-CG2 4.34Å; I90-T92 HydrophobicContact CG2-CG2 3.85Å; I90-T92 PolarHBondContact O-N 2.64Å; T92-Q94 PolarHBondContact O-N 2.72Å; T92-P113 VanDerWaalsContact CB-O 3.3Å; T92-P113 WeakPolarHBondContact CB-O 3.42Å; T92-P113 HydrophobicContact CG2-CB 4.48Å; T92-P113 WeakPolarHBondContact CG2-O 3.33Å |
| 93 | G | 63.5 | Low | 69 | Low | 24 Ų | 24 | 119.3 Ų | 119.3 | 25% | 0.247 | 62% | 0.616 | C | S | . | * | T | Hydrogen-bonded Turn | trans | 76.8 | 4.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 117 | Q107 S112 | G93-Q107 PolarHBondContact O-NE2 3.37Å; G93-S112 PolarHBondContact N-OG 3.13Å |
| 94 | Q | 65.6 | Low | 69.4 | Low | 120 Ų | 120 | 114.9 Ų | 114.9 | 56% | 0.561 | 59% | 0.594 | S | S | * | * | trans | -118.9 | 12 | -170.2 | -66.3 | -173.2 | -10.4 | 0 | 0 | 115.1 | T92 I96 S112 | T92-Q94 PolarHBondContact O-N 2.72Å; Q94-I96 PolarHBondContact O-N 3.47Å; Q94-S112 PolarHBondContact N-OG 3.03Å | ||
| 95 | K | 73 | Confident | 70.4 | Confident | 94 Ų | 94 | 115 Ų | 115 | 41% | 0.409 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -65.2 | 119 | 177.5 | -174.6 | -169.1 | 178.1 | -163.5 | 0 | 111.1 | V97 D108 S111 S112 | K95-V97 HydrophobicContact CD-CG2 4.27Å; K95-V97 HydrophobicContact CG-CG2 4.4Å; K95-D108 HydrophobicContact CB-CB 4.48Å; K95-D108 HydrophobicContact CD-CB 4.38Å; K95-D108 IonicContact NZ-OD2 3.09Å; K95-D108 PolarHBondContact O-N 3.17Å; K95-S111 VanDerWaalsContact CD-OG 3.3Å; K95-S111 WeakPolarHBondContact CD-OG 3.41Å; K95-S111 PolarHBondContact NZ-OG 3.01Å; K95-S112 VanDerWaalsContact CB-OG 3.26Å; K95-S112 WeakPolarHBondContact CB-OG 3.2Å; K95-S112 PolarHBondContact N-OG 3.28Å |
| 96 | I | 74.4 | Confident | 70.9 | Confident | 101 Ų | 101 | 114.3 Ų | 114.3 | 52% | 0.518 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.3 | 130.3 | 168.5 | -58 | 177.5 | 0 | 0 | 0 | 108.7 | Q94 T105 | Q94-I96 PolarHBondContact O-N 3.47Å; I96-T105 HydrophobicContact CG2-CG2 3.77Å |
| 97 | V | 77.8 | Confident | 71.2 | Confident | 51 Ų | 51 | 114.6 Ų | 114.6 | 31% | 0.309 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.8 | 116.8 | 174.5 | -179.7 | 0 | 0 | 0 | 0 | 108.5 | K95 W106 D108 | K95-V97 HydrophobicContact CD-CG2 4.27Å; K95-V97 HydrophobicContact CG-CG2 4.4Å; V97-W106 PolarHBondContact N-O 3.18Å; V97-W106 PolarHBondContact O-N 3.48Å; V97-D108 HydrophobicContact CG2-CB 3.82Å |
| 98 | H | 81.3 | Confident | 71.4 | Confident | 122 Ų | 122 | 108.2 Ų | 108.2 | 57% | 0.565 | 55% | 0.554 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.1 | 144.3 | 170.7 | -63.2 | -110.5 | 0 | 0 | 0 | 109.2 | T105 | H98-T105 VanDerWaalsContact CE1-CG2 3.47Å; H98-T105 WeakPolarHBondContact CE1-CG2 3.13Å |
| 99 | F | 70.8 | Confident | 71.7 | Confident | 158 Ų | 158 | 107.1 Ų | 107.1 | 69% | 0.693 | 55% | 0.545 | S | S | * | . | trans | -133.4 | 111.2 | 177.5 | -171.8 | -90 | 0 | 0 | 0 | 112 | I104 | F99-I104 PolarHBondContact N-O 2.72Š| ||
| 100 | G | 74.3 | Confident | 71.6 | Confident | 61 Ų | 61 | 108.2 Ų | 108.2 | 63% | 0.629 | 55% | 0.546 | S | S | * | . | S | Bend | trans | 85.9 | -172.3 | -177 | 0 | 0 | 0 | 0 | 0 | 113.6 | E102 | G100-E102 PolarHBondContact O-N 2.93Š|
| 101 | D | 71.5 | Confident | 71.5 | Confident | 180 Ų | 180 | 106.8 Ų | 106.8 | 96% | 0.963 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -84.6 | 7.7 | 173.5 | -58.4 | -37.8 | 0 | 0 | 0 | 112.2 | ||
| 102 | E | 70.8 | Confident | 71.5 | Confident | 136 Ų | 136 | 100.1 Ų | 100.1 | 64% | 0.636 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -99.4 | 146.6 | 177.9 | -60.4 | 176.7 | 171.8 | 0 | 0 | 109.1 | G100 I104 | G100-E102 PolarHBondContact O-N 2.93Å; E102-I104 HydrophobicContact CB-CD1 4.21Å; E102-I104 HydrophobicContact CB-CG1 4.05Å; E102-I104 PolarHBondContact O-N 3.22Å; E102-I104 WeakPolarHBondContact OE2-CD1 3.12Å |
| 103 | D | 73.7 | Confident | 71.8 | Confident | 160 Ų | 160 | 102.1 Ų | 102.1 | 86% | 0.856 | 53% | 0.528 | S | S | * | . | trans | -71.2 | 35.4 | -176 | -69.6 | -55.7 | 0 | 0 | 0 | 114.4 | T105 | D103-T105 PolarHBondContact O-N 2.94Š| ||
| 104 | I | 73.4 | Confident | 72 | Confident | 73 Ų | 73 | 110.1 Ų | 110.1 | 37% | 0.374 | 56% | 0.556 | S | S | . | * | trans | -87.1 | 98.1 | -177.7 | -52.7 | -179.4 | 0 | 0 | 0 | 109.6 | F99 E102 W106 | F99-I104 PolarHBondContact N-O 2.72Å; E102-I104 HydrophobicContact CB-CD1 4.21Å; E102-I104 HydrophobicContact CB-CG1 4.05Å; E102-I104 PolarHBondContact O-N 3.22Å; E102-I104 WeakPolarHBondContact OE2-CD1 3.12Å; I104-W106 HydrophobicContact CG2-CZ2 4.35Å | ||
| 105 | T | 81.8 | Confident | 72.1 | Confident | 77 Ų | 77 | 105.8 Ų | 105.8 | 47% | 0.472 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 127.5 | 178.3 | 55.3 | 0 | 0 | 0 | 0 | 112.6 | I96 H98 D103 | I96-T105 HydrophobicContact CG2-CG2 3.77Å; H98-T105 VanDerWaalsContact CE1-CG2 3.47Å; H98-T105 WeakPolarHBondContact CE1-CG2 3.13Å; D103-T105 PolarHBondContact O-N 2.94Å |
| 106 | W | 72.5 | Confident | 71.8 | Confident | 176 Ų | 176 | 110.7 Ų | 110.7 | 67% | 0.667 | 56% | 0.555 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -112.2 | 135.7 | 171.2 | -57.6 | 85.7 | 0 | 0 | 0 | 110.2 | V97 I104 | V97-W106 PolarHBondContact N-O 3.18Å; V97-W106 PolarHBondContact O-N 3.48Å; I104-W106 HydrophobicContact CG2-CZ2 4.35Å |
| 107 | Q | 73.8 | Confident | 71.8 | Confident | 120 Ų | 120 | 109.2 Ų | 109.2 | 56% | 0.561 | 55% | 0.546 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 124.3 | 171.7 | -174 | -179.9 | -15.2 | 0 | 0 | 109.8 | G93 E109 | G93-Q107 PolarHBondContact O-NE2 3.37Å; Q107-E109 HydrophobicContact CG-CG 4.37Å |
| 108 | D | 70.8 | Confident | 71.5 | Confident | 41 Ų | 41 | 110.6 Ų | 110.6 | 22% | 0.219 | 56% | 0.555 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.3 | 91 | -178 | -178.5 | -6.1 | 0 | 0 | 0 | 110.5 | K95 V97 H110 S111 S112 | K95-D108 HydrophobicContact CB-CB 4.48Å; K95-D108 HydrophobicContact CD-CB 4.38Å; K95-D108 IonicContact NZ-OD2 3.09Å; K95-D108 PolarHBondContact O-N 3.17Å; V97-D108 HydrophobicContact CG2-CB 3.82Å; D108-H110 PolarHBondContact O-N 3.37Å; D108-H110 PolarHBondContact OD1-N 2.89Å; D108-S111 VanDerWaalsContact CG-OG 3.27Å; D108-S111 PolarHBondContact OD1-N 3.02Å; D108-S111 WeakPolarHBondContact OD2-CB 3.47Å; D108-S111 PolarHBondContact OD2-OG 3.15Å; D108-S112 PolarHBondContact O-OG 3.36Å |
| 109 | E | 69.5 | Low | 71 | Confident | 123 Ų | 123 | 111.7 Ų | 111.7 | 58% | 0.575 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | -1.5 | 176.4 | -58.7 | -164.5 | 132.1 | 0 | 0 | 113.3 | Q107 | Q107-E109 HydrophobicContact CG-CG 4.37Š|
| 110 | H | 62 | Low | 71.1 | Confident | 179 Ų | 179 | 108.8 Ų | 108.8 | 83% | 0.829 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.1 | -27.1 | -170.7 | -66.3 | -25.7 | 0 | 0 | 0 | 115.2 | D108 | D108-H110 PolarHBondContact O-N 3.37Å; D108-H110 PolarHBondContact OD1-N 2.89Å |
| 111 | S | 67.6 | Low | 71.2 | Confident | 62 Ų | 62 | 110.6 Ų | 110.6 | 43% | 0.434 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 2 | 171.7 | 83.7 | 0 | 0 | 0 | 0 | 114.5 | K95 D108 | K95-S111 VanDerWaalsContact CD-OG 3.3Å; K95-S111 WeakPolarHBondContact CD-OG 3.41Å; K95-S111 PolarHBondContact NZ-OG 3.01Å; D108-S111 VanDerWaalsContact CG-OG 3.27Å; D108-S111 PolarHBondContact OD1-N 3.02Å; D108-S111 WeakPolarHBondContact OD2-CB 3.47Å; D108-S111 PolarHBondContact OD2-OG 3.15Å |
| 112 | S | 66.6 | Low | 71 | Confident | 14 Ų | 14 | 105.6 Ų | 105.6 | 10% | 0.098 | 52% | 0.523 | C | S | . | . | S | Bend | trans | -65.9 | 145.8 | 158.9 | -58.9 | 0 | 0 | 0 | 0 | 109.7 | G93 Q94 K95 D108 | G93-S112 PolarHBondContact N-OG 3.13Å; Q94-S112 PolarHBondContact N-OG 3.03Å; K95-S112 VanDerWaalsContact CB-OG 3.26Å; K95-S112 WeakPolarHBondContact CB-OG 3.2Å; K95-S112 PolarHBondContact N-OG 3.28Å; D108-S112 PolarHBondContact O-OG 3.36Å |
| 113 | P | 72.9 | Confident | 71 | Confident | 73 Ų | 73 | 104 Ų | 104 | 47% | 0.474 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -60 | 145.2 | 179.8 | -25.6 | 36.5 | 0 | 0 | 0 | 112.6 | I90 T92 S115 | I90-P113 HydrophobicContact CG2-CB 3.82Å; I90-P113 HydrophobicContact CG2-CG 3.61Å; T92-P113 VanDerWaalsContact CB-O 3.3Å; T92-P113 WeakPolarHBondContact CB-O 3.42Å; T92-P113 HydrophobicContact CG2-CB 4.48Å; T92-P113 WeakPolarHBondContact CG2-O 3.33Å; P113-S115 PolarHBondContact O-N 3.42Å |
| 114 | F | 68.1 | Low | 70.8 | Confident | 191 Ų | 191 | 103 Ų | 103 | 84% | 0.838 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 126.2 | -179.3 | 176.2 | -95.8 | 0 | 0 | 0 | 111.3 | W116 | F114-W116 HydrophobicContact CE1-CB 4.32Š|
| 115 | S | 67.1 | Low | 70.4 | Confident | 30 Ų | 30 | 106.1 Ų | 106.1 | 21% | 0.21 | 52% | 0.524 | C | S | . | . | P | Polyproline II helix | trans | -97.9 | 142.6 | 162.8 | -168.1 | 0 | 0 | 0 | 0 | 110.4 | P113 E117 | P113-S115 PolarHBondContact O-N 3.42Å; S115-E117 VanDerWaalsContact C-N 3.31Å; S115-E117 PolarHBondContact OG-N 3.4Å; S115-E117 VanDerWaalsContact OG-N 3.08Å |
| 116 | W | 67 | Low | 69.3 | Low | 196 Ų | 196 | 108.4 Ų | 108.4 | 74% | 0.742 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -82.3 | -14.3 | 167.8 | 58.8 | -86.6 | 0 | 0 | 0 | 112 | F114 | F114-W116 HydrophobicContact CE1-CB 4.32Š|
| 117 | E | 74.3 | Confident | 68.1 | Low | 71 Ų | 71 | 106.7 Ų | 106.7 | 33% | 0.332 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -84.3 | 133.6 | 175.1 | -62.9 | 179.7 | 102.5 | 0 | 0 | 110.2 | S115 Q121 L122 | S115-E117 VanDerWaalsContact C-N 3.31Å; S115-E117 PolarHBondContact OG-N 3.4Å; S115-E117 VanDerWaalsContact OG-N 3.08Å; E117-Q121 HydrophobicContact CB-CB 4.13Å; E117-L122 HydrophobicContact CB-CD2 3.88Å; E117-L122 HydrophobicContact CB-CG 3.92Å; E117-L122 WeakPolarHBondContact OE2-CD2 3.28Å |
| 118 | T | 72.9 | Confident | 66.8 | Low | 80 Ų | 80 | 106.7 Ų | 106.7 | 49% | 0.491 | 55% | 0.55 | S | S | . | * | trans | -66.6 | 157.3 | 171.1 | 65.6 | 0 | 0 | 0 | 0 | 110.5 | S120 Q121 L122 | T118-S120 PolarHBondContact O-N 2.7Å; T118-S120 VanDerWaalsContact O-N 3.13Å; T118-Q121 WeakPolarHBondContact O-CA 3.44Å; T118-Q121 WeakPolarHBondContact O-CB 3.4Å; T118-Q121 PolarHBondContact O-N 3.13Å; T118-Q121 PolarHBondContact OG1-OE1 2.76Å; T118-L122 PolarHBondContact O-N 3.06Å | ||
| 119 | K | 69 | Low | 65.4 | Low | 144 Ų | 144 | 108 Ų | 108 | 63% | 0.626 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -52.1 | -38.7 | 176.4 | -170.3 | 166.7 | -175.7 | 169.9 | 0 | 112.7 | Q121 L122 D123 | K119-Q121 PolarHBondContact O-N 2.78Å; K119-L122 PolarHBondContact O-N 3.06Å; K119-D123 WeakPolarHBondContact CG-OD2 3.3Å; K119-D123 WeakPolarHBondContact O-CB 3.4Å; K119-D123 VanDerWaalsContact O-CG 3.31Å; K119-D123 PolarHBondContact O-N 2.97Å |
| 120 | S | 74.6 | Confident | 63.8 | Low | 98 Ų | 98 | 110.5 Ų | 110.5 | 69% | 0.685 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -67.1 | -15.7 | 175.7 | -169.4 | 0 | 0 | 0 | 0 | 115.2 | T118 | T118-S120 PolarHBondContact O-N 2.7Å; T118-S120 VanDerWaalsContact O-N 3.13Å |
| 121 | Q | 74.8 | Confident | 62.5 | Low | 98 Ų | 98 | 107.8 Ų | 107.8 | 46% | 0.458 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -94.8 | -38.5 | 173 | -70.7 | 161.7 | -62.6 | 0 | 0 | 110.5 | E117 T118 K119 D123 F124 | E117-Q121 HydrophobicContact CB-CB 4.13Å; T118-Q121 WeakPolarHBondContact O-CA 3.44Å; T118-Q121 WeakPolarHBondContact O-CB 3.4Å; T118-Q121 PolarHBondContact O-N 3.13Å; T118-Q121 PolarHBondContact OG1-OE1 2.76Å; K119-Q121 PolarHBondContact O-N 2.78Å; Q121-D123 VanDerWaalsContact C-N 3.34Å; Q121-D123 PolarHBondContact O-N 2.97Å; Q121-F124 WeakPolarHBondContact O-CB 3.3Å; Q121-F124 PolarHBondContact O-N 2.55Å; Q121-F124 VanDerWaalsContact O-N 3.13Å |
| 122 | L | 68.8 | Low | 61 | Low | 76 Ų | 76 | 110 Ų | 110 | 40% | 0.398 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.7 | -37.6 | 173.2 | -66.4 | 172.6 | 0 | 0 | 0 | 112.6 | E117 T118 K119 F124 | E117-L122 HydrophobicContact CB-CD2 3.88Å; E117-L122 HydrophobicContact CB-CG 3.92Å; E117-L122 WeakPolarHBondContact OE2-CD2 3.28Å; T118-L122 PolarHBondContact O-N 3.06Å; K119-L122 PolarHBondContact O-N 3.06Å; L122-F124 PolarHBondContact O-N 3.22Å |
| 123 | D | 68.9 | Low | 59.6 | Low | 101 Ų | 101 | 118.7 Ų | 118.7 | 54% | 0.54 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.6 | -2.6 | 176.2 | -66.7 | -32.8 | 0 | 0 | 0 | 112.9 | K119 Q121 N125 | K119-D123 WeakPolarHBondContact CG-OD2 3.3Å; K119-D123 WeakPolarHBondContact O-CB 3.4Å; K119-D123 VanDerWaalsContact O-CG 3.31Å; K119-D123 PolarHBondContact O-N 2.97Å; Q121-D123 VanDerWaalsContact C-N 3.34Å; Q121-D123 PolarHBondContact O-N 2.97Å; D123-N125 PolarHBondContact O-N 2.97Å; D123-N125 PolarHBondContact O-ND2 2.83Å |
| 124 | F | 70.5 | Confident | 57.6 | Low | 139 Ų | 139 | 118.5 Ų | 118.5 | 61% | 0.61 | 65% | 0.646 | S | S | * | * | trans | -77.9 | 79.4 | -171.5 | -168.7 | -113.5 | 0 | 0 | 0 | 113.4 | Q121 L122 L126 | Q121-F124 WeakPolarHBondContact O-CB 3.3Å; Q121-F124 PolarHBondContact O-N 2.55Å; Q121-F124 VanDerWaalsContact O-N 3.13Å; L122-F124 PolarHBondContact O-N 3.22Å; F124-L126 HydrophobicContact CD1-CD2 4.41Å; F124-L126 HydrophobicContact CD1-CG 4Å; F124-L126 HydrophobicContact CE1-CD1 4.12Å; F124-L126 HydrophobicContact CE1-CD2 3.5Å; F124-L126 VanDerWaalsContact CE1-CD2 3.5Å; F124-L126 HydrophobicContact CE1-CG 3.53Å; F124-L126 HydrophobicContact CZ-CD2 3.76Å; F124-L126 HydrophobicContact CZ-CG 4.26Å; F124-L126 PolarHBondContact O-N 2.94Å | ||
| 125 | N | 64.9 | Low | 56.1 | Low | 140 Ų | 140 | 117.8 Ų | 117.8 | 75% | 0.749 | 65% | 0.65 | S | S | * | * | trans | -73.8 | 96.1 | 174.9 | -74.7 | -100.2 | 0 | 0 | 0 | 110.6 | D123 T127 | D123-N125 PolarHBondContact O-N 2.97Å; D123-N125 PolarHBondContact O-ND2 2.83Å; N125-T127 PolarHBondContact O-N 3.44Å; N125-T127 VanDerWaalsContact O-N 3.11Å | ||
| 126 | L | 58.7 | Low | 54.4 | Low | 125 Ų | 125 | 121.3 Ų | 121.3 | 65% | 0.654 | 67% | 0.674 | S | S | * | * | trans | -66.9 | 103.8 | 164 | -78.5 | 174.9 | 0 | 0 | 0 | 109.6 | F124 T128 | F124-L126 HydrophobicContact CD1-CD2 4.41Å; F124-L126 HydrophobicContact CD1-CG 4Å; F124-L126 HydrophobicContact CE1-CD1 4.12Å; F124-L126 HydrophobicContact CE1-CD2 3.5Å; F124-L126 VanDerWaalsContact CE1-CD2 3.5Å; F124-L126 HydrophobicContact CE1-CG 3.53Å; F124-L126 HydrophobicContact CZ-CD2 3.76Å; F124-L126 HydrophobicContact CZ-CG 4.26Å; F124-L126 PolarHBondContact O-N 2.94Å; L126-T128 PolarHBondContact O-N 3.19Å | ||
| 127 | T | 46.6 | Very low | 52.7 | Low | 140 Ų | 140 | 116.7 Ų | 116.7 | 86% | 0.859 | 67% | 0.672 | S | S | * | * | trans | -71.3 | 68.7 | 165.2 | -46.4 | 0 | 0 | 0 | 0 | 109.7 | N125 G129 | N125-T127 PolarHBondContact O-N 3.44Å; N125-T127 VanDerWaalsContact O-N 3.11Å; T127-G129 PolarHBondContact O-N 3.16Å | ||
| 128 | T | 48.1 | Very low | 50.7 | Low | 120 Ų | 120 | 119.1 Ų | 119.1 | 74% | 0.736 | 70% | 0.697 | S | S | * | * | trans | -57.8 | 127.8 | 172.1 | -61.3 | 0 | 0 | 0 | 0 | 108.9 | L126 E130 | L126-T128 PolarHBondContact O-N 3.19Å; T128-E130 PolarHBondContact O-N 3.38Å | ||
| 129 | G | 40.7 | Very low | 48.9 | Very low | 67 Ų | 67 | 121.2 Ų | 121.2 | 69% | 0.691 | 71% | 0.71 | S | S | * | * | trans | -62.2 | 124.9 | -166.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | T127 | T127-G129 PolarHBondContact O-N 3.16Š| ||
| 130 | E | 36.8 | Very low | 47 | Very low | 177 Ų | 177 | 119.1 Ų | 119.1 | 83% | 0.827 | 72% | 0.719 | S | S | * | * | trans | 32.4 | 93.7 | 140.8 | -163.8 | 167.3 | -175 | 0 | 0 | 117.6 | T128 V132 | T128-E130 PolarHBondContact O-N 3.38Å; E130-V132 HydrophobicContact CG-CG2 3.59Å | ||
| 131 | S | 32.8 | Very low | 44.9 | Very low | 121 Ų | 121 | 120.1 Ų | 120.1 | 85% | 0.846 | 72% | 0.717 | S | S | * | * | trans | -121.9 | 131.4 | 146 | 56.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 132 | V | 38 | Very low | 42.9 | Very low | 110 Ų | 110 | 126.7 Ų | 126.7 | 67% | 0.667 | 74% | 0.739 | S | S | * | * | trans | -111.3 | 105.1 | -158.2 | -162.3 | 0 | 0 | 0 | 0 | 112 | E130 | E130-V132 HydrophobicContact CG-CG2 3.59Š| ||
| 133 | Q | 35.5 | Very low | 41.1 | Very low | 196 Ų | 196 | 131.3 Ų | 131.3 | 92% | 0.916 | 76% | 0.756 | S | S | * | * | trans | -169.1 | 159.5 | 137.7 | -106.1 | 158.3 | 3.1 | 0 | 0 | 112.4 | ||||
| 134 | G | 32.5 | Very low | 39.5 | Very low | 68 Ų | 68 | 132.6 Ų | 132.6 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | trans | -68.9 | 178 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 135 | I | 35 | Very low | 37.5 | Very low | 176 Ų | 176 | 132 Ų | 132 | 90% | 0.903 | 78% | 0.783 | S | S | * | * | -131.2 | 157.1 | 63.8 | -75.7 | 150.5 | 0 | 0 | 0 | 114.4 | |||||
| 136 | S | 32.6 | Very low | 35.8 | Very low | 104 Ų | 104 | 134.3 Ų | 134.3 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -48.2 | 135.8 | -178.8 | -104.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 137 | S | 31 | Very low | 34.4 | Very low | 99 Ų | 99 | 134 Ų | 134 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | trans | 20.2 | 134.4 | 131.1 | 65.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 138 | S | 32.2 | Very low | 33.4 | Very low | 122 Ų | 122 | 132.5 Ų | 132.5 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | trans | -124.7 | 109.1 | 141.1 | 61.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 139 | T | 34.8 | Very low | 32.6 | Very low | 125 Ų | 125 | 135.3 Ų | 135.3 | 77% | 0.767 | 79% | 0.785 | S | S | * | * | trans | -76.5 | 142.1 | 173.2 | 44.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 140 | A | 29.2 | Very low | 31.9 | Very low | 100 Ų | 100 | 137 Ų | 137 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | trans | -138.6 | 99.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 141 | D | 30 | Very low | 31.7 | Very low | 119 Ų | 119 | 134.2 Ų | 134.2 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | trans | -72.6 | 133.8 | 179.4 | -65.1 | -108.7 | 0 | 0 | 0 | 113 | ||||
| 142 | Y | 33.9 | Very low | 31.6 | Very low | 235 Ų | 235 | 136.9 Ų | 136.9 | 92% | 0.922 | 78% | 0.784 | S | S | * | * | trans | -135 | 140.8 | 144.3 | -82.8 | -74.5 | 0 | 0 | 0 | 110.4 | ||||
| 143 | K | 31 | Very low | 31.3 | Very low | 174 Ų | 174 | 139.2 Ų | 139.2 | 76% | 0.757 | 80% | 0.798 | S | S | * | * | trans | -102.8 | 149.1 | -162 | -65.5 | -176.3 | 179.5 | 179.5 | 0 | 113.1 | ||||
| 144 | P | 33.9 | Very low | 31.1 | Very low | 128 Ų | 128 | 133.1 Ų | 133.1 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | trans | -82.1 | 135.8 | -178.4 | 32 | -35.1 | 0 | 0 | 0 | 113.6 | ||||
| 145 | S | 29 | Very low | 31.1 | Very low | 125 Ų | 125 | 139 Ų | 139 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | trans | -111.7 | 82.7 | 177.9 | -73.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 146 | K | 30.1 | Very low | 30.7 | Very low | 189 Ų | 189 | 138.1 Ų | 138.1 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | 13.8 | 141.9 | 142.5 | -174.7 | 172.7 | 179.6 | -179.1 | 0 | 121 | ||||
| 147 | V | 28.2 | Very low | 30.5 | Very low | 118 Ų | 118 | 138 Ų | 138 | 72% | 0.715 | 78% | 0.783 | S | S | * | * | trans | 80.3 | 136.7 | 157.9 | 146 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 148 | T | 25.7 | Very low | 30.7 | Very low | 110 Ų | 110 | 141.5 Ų | 141.5 | 68% | 0.675 | 79% | 0.789 | S | S | * | * | cis | -163.5 | 175.7 | 3.9 | -117.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 149 | Q | 31.8 | Very low | 30.6 | Very low | 179 Ų | 179 | 141.4 Ų | 141.4 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | trans | 74.7 | 131.4 | 174.3 | -82.1 | 167.2 | 2.2 | 0 | 0 | 116.2 | ||||
| 150 | C | 24.8 | Very low | 30.4 | Very low | 103 Ų | 103 | 141.4 Ų | 141.4 | 70% | 0.696 | 79% | 0.793 | S | S | * | * | cis | 107.4 | 102 | 7.2 | -168.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 151 | S | 33 | Very low | 30.9 | Very low | 117 Ų | 117 | 145.3 Ų | 145.3 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -179.6 | 102.7 | 148.7 | -78 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 152 | Q | 30.9 | Very low | 31.1 | Very low | 178 Ų | 178 | 145.9 Ų | 145.9 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | 60.4 | 89.5 | 75.2 | -71.7 | -144.1 | 29.4 | 0 | 0 | 117.2 | |||||
| 153 | V | 31.6 | Very low | 30.7 | Very low | 158 Ų | 158 | 140.5 Ų | 140.5 | 96% | 0.958 | 80% | 0.795 | S | S | * | * | -176 | 145.6 | 123.6 | -91.9 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 154 | G | 32 | Very low | 30.7 | Very low | 68 Ų | 68 | 139 Ų | 139 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | cis | 168.3 | 127.3 | -16.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 155 | K | 31.6 | Very low | 30.5 | Very low | 192 Ų | 192 | 136.3 Ų | 136.3 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | trans | 64.8 | 131.4 | 153.8 | -69.5 | -179.3 | 179.3 | 177.4 | 0 | 119.2 | ||||
| 156 | M | 26.7 | Very low | 31 | Very low | 157 Ų | 157 | 138.5 Ų | 138.5 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | 80.7 | 137.5 | 58 | -69.3 | 173.6 | 62.4 | 0 | 0 | 113.9 | |||||
| 157 | T | 29.6 | Very low | 31.1 | Very low | 101 Ų | 101 | 134.6 Ų | 134.6 | 62% | 0.62 | 78% | 0.784 | S | S | * | * | cis | -164.4 | 156.7 | 4.8 | 7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 158 | Q | 35 | Very low | 31.7 | Very low | 174 Ų | 174 | 137.2 Ų | 137.2 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | 58.4 | 120.5 | 144.5 | -72.6 | 167.8 | -2.4 | 0 | 0 | 124.7 | ||||
| 159 | S | 30.6 | Very low | 32.1 | Very low | 120 Ų | 120 | 135.8 Ų | 135.8 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | 36.8 | 123.4 | 117.9 | 170.5 | 0 | 0 | 0 | 0 | 123 | |||||
| 160 | S | 30.7 | Very low | 32.4 | Very low | 124 Ų | 124 | 136.2 Ų | 136.2 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | trans | -162.9 | -172.3 | 131.5 | -157.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 161 | K | 38 | Very low | 32.8 | Very low | 183 Ų | 183 | 134.7 Ų | 134.7 | 80% | 0.796 | 81% | 0.808 | S | S | * | * | trans | -137.6 | 158.7 | -158.9 | -155.5 | -169.6 | -178.5 | -178.5 | 0 | 114.7 | ||||
| 162 | V | 34.3 | Very low | 33.3 | Very low | 131 Ų | 131 | 141.2 Ų | 141.2 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | trans | 61.1 | 141.4 | 171.8 | -51.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 163 | S | 26.6 | Very low | 33.6 | Very low | 121 Ų | 121 | 143 Ų | 143 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | cis | -165.9 | -166.3 | 44.7 | -163.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 164 | N | 30.8 | Very low | 33.9 | Very low | 143 Ų | 143 | 141.5 Ų | 141.5 | 77% | 0.765 | 80% | 0.803 | S | S | * | * | trans | -69.5 | 149.7 | -170.4 | -165.8 | 54.5 | 0 | 0 | 0 | 115.7 | ||||
| 165 | G | 30.3 | Very low | 34.9 | Very low | 71 Ų | 71 | 147.2 Ų | 147.2 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | trans | -177 | 110.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 166 | E | 38.2 | Very low | 35.6 | Very low | 171 Ų | 171 | 143.5 Ų | 143.5 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | trans | -92.6 | 138 | -175.7 | 60 | -145.5 | 71.4 | 0 | 0 | 113.7 | ||||
| 167 | S | 32.1 | Very low | 37 | Very low | 107 Ų | 107 | 138.6 Ų | 138.6 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | 145.2 | 120.3 | 149 | -170.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 168 | L | 42.2 | Very low | 37.9 | Very low | 173 Ų | 173 | 137.3 Ų | 137.3 | 91% | 0.906 | 79% | 0.786 | S | S | * | * | trans | 30.3 | 104.9 | 148.4 | -56.4 | 173.7 | 0 | 0 | 0 | 119.6 | ||||
| 169 | G | 32.3 | Very low | 38.8 | Very low | 80 Ų | 80 | 137.4 Ų | 137.4 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | -163.8 | 136.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 170 | L | 38.6 | Very low | 39.5 | Very low | 189 Ų | 189 | 141.8 Ų | 141.8 | 99% | 0.99 | 78% | 0.782 | S | S | * | * | trans | -60.4 | 143.1 | 178.1 | -96.8 | 59.4 | 0 | 0 | 0 | 113.6 | ||||
| 171 | G | 33.6 | Very low | 40.3 | Very low | 70 Ų | 70 | 141.6 Ų | 141.6 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | trans | 151.1 | 113.7 | 147 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 172 | R | 43.5 | Very low | 41.1 | Very low | 255 Ų | 255 | 138 Ų | 138 | 96% | 0.962 | 75% | 0.754 | S | S | * | * | trans | 50.4 | 104.3 | 153.5 | -53.5 | -171.5 | -129.2 | -102.8 | 4.9 | 119.5 | ||||
| 173 | K | 37.9 | Very low | 41.9 | Very low | 216 Ų | 216 | 135.9 Ų | 135.9 | 94% | 0.939 | 75% | 0.745 | S | S | * | * | -169.3 | 96.5 | 121.3 | -146.3 | 177.9 | -176.3 | -175.6 | 0 | 114 | |||||
| 174 | E | 38.2 | Very low | 43 | Very low | 126 Ų | 126 | 133.4 Ų | 133.4 | 59% | 0.589 | 73% | 0.732 | S | S | * | * | trans | -171.5 | 95.3 | 147.9 | -174.7 | 179.9 | -133.2 | 0 | 0 | 108.5 | K181 | E174-K181 IonicContact OE2-NZ 2.72Å; E174-K181 PolarHBondContact OE2-NZ 2.84Å; E174-K181 VanDerWaalsContact OE2-NZ 3.09Å | ||
| 175 | E | 51 | Low | 43.9 | Very low | 187 Ų | 187 | 134.3 Ų | 134.3 | 87% | 0.874 | 73% | 0.731 | S | S | * | * | trans | -130.7 | 48.8 | 171.4 | -159.9 | -175.8 | 160.3 | 0 | 0 | 110.2 | ||||
| 176 | S | 48.2 | Very low | 44.5 | Very low | 114 Ų | 114 | 140.9 Ų | 140.9 | 80% | 0.797 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -149.3 | 31.2 | -179.1 | 66.3 | 0 | 0 | 0 | 0 | 112.7 | ||
| 177 | S | 54.7 | Low | 45.2 | Very low | 54 Ų | 54 | 136.5 Ų | 136.5 | 38% | 0.378 | 72% | 0.723 | S | S | . | * | trans | -149 | 14 | 175.3 | -151.1 | 0 | 0 | 0 | 0 | 113.7 | F179 | S177-F179 PolarHBondContact O-N 3.34Š| ||
| 178 | S | 49.9 | Very low | 46 | Very low | 74 Ų | 74 | 142.2 Ų | 142.2 | 52% | 0.517 | 73% | 0.728 | S | S | . | * | H | α-helix | trans | -67.8 | -32.5 | -172.9 | -43.7 | 0 | 0 | 0 | 0 | 113.5 | W180 K181 | S178-W180 PolarHBondContact O-N 3.35Å; S178-K181 PolarHBondContact O-N 2.96Å |
| 179 | F | 52.3 | Low | 46.2 | Very low | 177 Ų | 177 | 141.4 Ų | 141.4 | 78% | 0.776 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -67 | -36.9 | -170.2 | -150 | -93 | 0 | 0 | 0 | 113.5 | S177 | S177-F179 PolarHBondContact O-N 3.34Å |
| 180 | W | 45.9 | Very low | 47 | Very low | 212 Ų | 212 | 146.5 Ų | 146.5 | 80% | 0.803 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -83.2 | -17 | 178.3 | -62 | 104.7 | 0 | 0 | 0 | 113.4 | S178 | S178-W180 PolarHBondContact O-N 3.35Å |
| 181 | K | 48.6 | Very low | 47.5 | Very low | 120 Ų | 120 | 141.1 Ų | 141.1 | 52% | 0.522 | 72% | 0.716 | S | S | . | * | H | α-helix | trans | -76.3 | -29.3 | -172.1 | -141.7 | 159.6 | -174 | 168.1 | 0 | 112.7 | E174 S178 S183 A184 E185 | E174-K181 IonicContact OE2-NZ 2.72Å; E174-K181 PolarHBondContact OE2-NZ 2.84Å; E174-K181 VanDerWaalsContact OE2-NZ 3.09Å; S178-K181 PolarHBondContact O-N 2.96Å; K181-S183 VanDerWaalsContact C-N 3.29Å; K181-S183 PolarHBondContact O-N 3.45Å; K181-A184 PolarHBondContact O-N 3.33Å; K181-E185 PolarHBondContact O-N 2.84Å |
| 182 | I | 54.2 | Low | 48.2 | Very low | 108 Ų | 108 | 146.6 Ų | 146.6 | 55% | 0.554 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -61.1 | -36.5 | -179.2 | -42.7 | 179.6 | 0 | 0 | 0 | 111.8 | ||
| 183 | S | 50.5 | Low | 48 | Very low | 85 Ų | 85 | 142.9 Ų | 142.9 | 59% | 0.594 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -68.2 | -37.9 | -178.9 | -51.6 | 0 | 0 | 0 | 0 | 112.7 | K181 | K181-S183 VanDerWaalsContact C-N 3.29Å; K181-S183 PolarHBondContact O-N 3.45Å |
| 184 | A | 50 | Low | 48.7 | Very low | 70 Ų | 70 | 135.7 Ų | 135.7 | 58% | 0.579 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -69.6 | -39.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | K181 R186 S187 | K181-A184 PolarHBondContact O-N 3.33Å; A184-R186 PolarHBondContact O-N 2.97Å; A184-S187 WeakPolarHBondContact O-CB 3.48Å; A184-S187 PolarHBondContact O-N 3.06Å |
| 185 | E | 48.7 | Very low | 49.2 | Very low | 161 Ų | 161 | 137 Ų | 137 | 75% | 0.752 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -74.3 | -27.5 | -174.6 | -151.7 | 149.5 | -134.9 | 0 | 0 | 112.4 | K181 S187 | K181-E185 PolarHBondContact O-N 2.84Å; E185-S187 VanDerWaalsContact C-N 3.33Å |
| 186 | R | 44.6 | Very low | 49.2 | Very low | 209 Ų | 209 | 136.9 Ų | 136.9 | 79% | 0.789 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -70.6 | -23 | 170 | -76.7 | -175.8 | 165.3 | -131 | -3.7 | 114.2 | A184 R188 | A184-R186 PolarHBondContact O-N 2.97Å; R186-R188 VanDerWaalsContact C-N 3.26Å; R186-R188 PolarHBondContact O-N 3.17Å |
| 187 | S | 52 | Low | 49.9 | Very low | 80 Ų | 80 | 138.8 Ų | 138.8 | 56% | 0.559 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -73.7 | -15.3 | -179 | -166.1 | 0 | 0 | 0 | 0 | 113.5 | A184 E185 L189 | A184-S187 WeakPolarHBondContact O-CB 3.48Å; A184-S187 PolarHBondContact O-N 3.06Å; E185-S187 VanDerWaalsContact C-N 3.33Å; S187-L189 PolarHBondContact O-N 3.08Å; S187-L189 VanDerWaalsContact O-N 3.15Å |
| 188 | R | 49.3 | Very low | 50.5 | Low | 226 Ų | 226 | 141.5 Ų | 141.5 | 85% | 0.853 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -84.4 | 21.8 | -171.8 | -155.9 | -174.3 | 158.7 | 91.6 | 2.3 | 114.1 | R186 | R186-R188 VanDerWaalsContact C-N 3.26Å; R186-R188 PolarHBondContact O-N 3.17Å |
| 189 | L | 45.9 | Very low | 51.6 | Low | 156 Ų | 156 | 141.4 Ų | 141.4 | 82% | 0.817 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -127.6 | 3.5 | 178.6 | -68.3 | 168.8 | 0 | 0 | 0 | 112.8 | S187 G191 | S187-L189 PolarHBondContact O-N 3.08Å; S187-L189 VanDerWaalsContact O-N 3.15Å; L189-G191 PolarHBondContact O-N 2.82Å |
| 190 | E | 48.4 | Very low | 52.9 | Low | 187 Ų | 187 | 136.4 Ų | 136.4 | 87% | 0.874 | 70% | 0.698 | S | S | * | * | trans | -74.7 | 88.3 | 174.6 | -170.4 | 175.6 | -119 | 0 | 0 | 110.1 | ||||
| 191 | G | 50.3 | Low | 54 | Low | 77 Ų | 77 | 131.6 Ų | 131.6 | 79% | 0.794 | 69% | 0.694 | S | S | * | * | trans | -154.3 | 3.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | L189 | L189-G191 PolarHBondContact O-N 2.82Š| ||
| 192 | E | 47.4 | Very low | 54.8 | Low | 185 Ų | 185 | 129.9 Ų | 129.9 | 86% | 0.864 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -133.2 | 126.4 | 178.3 | -166.2 | 156.6 | -179.1 | 0 | 0 | 109.5 | A194 | E192-A194 PolarHBondContact O-N 3.11Š|
| 193 | Q | 40.7 | Very low | 55.8 | Low | 176 Ų | 176 | 128.6 Ų | 128.6 | 82% | 0.822 | 69% | 0.688 | S | S | * | * | trans | -72.5 | 89.2 | -171.8 | -80.7 | -75.3 | 107.2 | 0 | 0 | 111.1 | D195 | Q193-D195 PolarHBondContact O-N 3.13Š| ||
| 194 | A | 52.9 | Low | 57 | Low | 66 Ų | 66 | 128.9 Ų | 128.9 | 55% | 0.545 | 68% | 0.682 | S | S | . | * | trans | -81.4 | 94.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | E192 F196 | E192-A194 PolarHBondContact O-N 3.11Å; A194-F196 HydrophobicContact CB-CD2 3.63Å; A194-F196 HydrophobicContact CB-CE2 3.56Å; A194-F196 HydrophobicContact CB-CZ 4.47Å; A194-F196 PolarHBondContact O-N 3.06Å | ||
| 195 | D | 46.8 | Very low | 57.8 | Low | 152 Ų | 152 | 133 Ų | 133 | 81% | 0.813 | 69% | 0.687 | S | S | * | * | trans | -68 | 62.2 | 173.9 | -89.5 | -37.4 | 0 | 0 | 0 | 112.2 | Q193 H197 | Q193-D195 PolarHBondContact O-N 3.13Å; D195-H197 PolarHBondContact O-N 3.48Å | ||
| 196 | F | 50.9 | Low | 58.7 | Low | 186 Ų | 186 | 128.8 Ų | 128.8 | 82% | 0.816 | 68% | 0.676 | S | S | * | * | trans | -77 | 90.9 | 171.7 | -72.5 | -58 | 0 | 0 | 0 | 110.1 | A194 S198 | A194-F196 HydrophobicContact CB-CD2 3.63Å; A194-F196 HydrophobicContact CB-CE2 3.56Å; A194-F196 HydrophobicContact CB-CZ 4.47Å; A194-F196 PolarHBondContact O-N 3.06Å; F196-S198 PolarHBondContact O-N 2.94Å | ||
| 197 | H | 63.3 | Low | 59.6 | Low | 154 Ų | 154 | 125.1 Ų | 125.1 | 71% | 0.713 | 67% | 0.671 | S | S | * | * | trans | -54.5 | 110.5 | 168 | -172.8 | 78.3 | 0 | 0 | 0 | 109.8 | D195 L199 | D195-H197 PolarHBondContact O-N 3.48Å; H197-L199 PolarHBondContact O-N 3.08Å | ||
| 198 | S | 68.1 | Low | 60.1 | Low | 110 Ų | 110 | 129.3 Ų | 129.3 | 77% | 0.769 | 68% | 0.682 | S | S | * | * | trans | -74.5 | 86 | -167.9 | 44.6 | 0 | 0 | 0 | 0 | 112.2 | F196 T200 | F196-S198 PolarHBondContact O-N 2.94Å; S198-T200 PolarHBondContact O-N 3.46Å | ||
| 199 | L | 72.8 | Confident | 60.7 | Low | 73 Ų | 73 | 126.6 Ų | 126.6 | 38% | 0.382 | 68% | 0.676 | S | S | . | * | trans | -60.2 | 128.9 | 176.6 | -63.7 | -179.1 | 0 | 0 | 0 | 111.3 | H197 Q203 I204 | H197-L199 PolarHBondContact O-N 3.08Å; L199-Q203 HydrophobicContact CB-CB 4.11Å; L199-Q203 HydrophobicContact CD2-CB 4.06Å; L199-I204 HydrophobicContact CB-CD1 4.44Å; L199-I204 HydrophobicContact CB-CG1 3.85Å; L199-I204 HydrophobicContact CD1-CG1 4.49Å | ||
| 200 | T | 80.1 | Confident | 61.4 | Low | 72 Ų | 72 | 122.6 Ų | 122.6 | 44% | 0.442 | 67% | 0.672 | S | S | . | * | trans | -63.7 | 155.9 | 170.9 | 62.5 | 0 | 0 | 0 | 0 | 110.8 | S198 S202 Q203 I204 | S198-T200 PolarHBondContact O-N 3.46Å; T200-S202 PolarHBondContact O-N 3.3Å; T200-Q203 PolarHBondContact O-N 3.49Å; T200-Q203 WeakPolarHBondContact OG1-CG 3.26Å; T200-Q203 PolarHBondContact OG1-N 3.38Å; T200-Q203 PolarHBondContact OG1-OE1 2.71Å; T200-I204 PolarHBondContact O-N 3.15Å | ||
| 201 | P | 68.6 | Low | 61.6 | Low | 111 Ų | 111 | 121.1 Ų | 121.1 | 72% | 0.721 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -54.2 | -28.9 | 177.5 | -28.4 | 36 | 0 | 0 | 0 | 114.1 | K205 | P201-K205 WeakPolarHBondContact O-CB 3.34Å; P201-K205 PolarHBondContact O-N 2.91Å; P201-K205 VanDerWaalsContact O-N 3.17Å |
| 202 | S | 66.2 | Low | 61.8 | Low | 83 Ų | 83 | 126 Ų | 126 | 58% | 0.58 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -68.9 | -43.8 | 174.4 | -163.4 | 0 | 0 | 0 | 0 | 112.4 | T200 I204 K205 S206 | T200-S202 PolarHBondContact O-N 3.3Å; S202-I204 VanDerWaalsContact C-N 3.33Å; S202-I204 PolarHBondContact O-N 3.01Å; S202-K205 PolarHBondContact O-N 2.91Å; S202-S206 PolarHBondContact O-N 3.34Å; S202-S206 PolarHBondContact O-OG 3.2Å |
| 203 | Q | 75.3 | Confident | 61.8 | Low | 81 Ų | 81 | 123.4 Ų | 123.4 | 38% | 0.379 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -64.9 | -37.6 | 179 | -72 | 162.4 | -72.3 | 0 | 0 | 111.9 | L199 T200 S206 L207 | L199-Q203 HydrophobicContact CB-CB 4.11Å; L199-Q203 HydrophobicContact CD2-CB 4.06Å; T200-Q203 PolarHBondContact O-N 3.49Å; T200-Q203 WeakPolarHBondContact OG1-CG 3.26Å; T200-Q203 PolarHBondContact OG1-N 3.38Å; T200-Q203 PolarHBondContact OG1-OE1 2.71Å; Q203-S206 PolarHBondContact O-N 3.47Å; Q203-L207 PolarHBondContact O-N 3.28Å; Q203-L207 VanDerWaalsContact O-N 3.15Å |
| 204 | I | 73.9 | Confident | 62 | Low | 91 Ų | 91 | 122 Ų | 122 | 47% | 0.467 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -62.7 | -47.5 | 174.4 | -59.1 | 171.2 | 0 | 0 | 0 | 110 | L199 T200 S202 S206 L207 E208 | L199-I204 HydrophobicContact CB-CD1 4.44Å; L199-I204 HydrophobicContact CB-CG1 3.85Å; L199-I204 HydrophobicContact CD1-CG1 4.49Å; T200-I204 PolarHBondContact O-N 3.15Å; S202-I204 VanDerWaalsContact C-N 3.33Å; S202-I204 PolarHBondContact O-N 3.01Å; I204-S206 VanDerWaalsContact C-N 3.3Å; I204-S206 PolarHBondContact O-N 3.46Å; I204-L207 PolarHBondContact O-N 3.02Å; I204-E208 PolarHBondContact O-N 3.26Å |
| 205 | K | 67.3 | Low | 61.3 | Low | 157 Ų | 157 | 123.5 Ų | 123.5 | 68% | 0.683 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -64.4 | -31.1 | 179.3 | -166.6 | 168.2 | -177.3 | 173.4 | 0 | 113.3 | P201 S202 K209 | P201-K205 WeakPolarHBondContact O-CB 3.34Å; P201-K205 PolarHBondContact O-N 2.91Å; P201-K205 VanDerWaalsContact O-N 3.17Å; S202-K205 PolarHBondContact O-N 2.91Å; K205-K209 PolarHBondContact O-N 3.34Å |
| 206 | S | 67.8 | Low | 61.4 | Low | 73 Ų | 73 | 121.6 Ų | 121.6 | 51% | 0.51 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -73.8 | -21.2 | 171 | -67.9 | 0 | 0 | 0 | 0 | 114.2 | S202 Q203 I204 K209 | S202-S206 PolarHBondContact O-N 3.34Å; S202-S206 PolarHBondContact O-OG 3.2Å; Q203-S206 PolarHBondContact O-N 3.47Å; I204-S206 VanDerWaalsContact C-N 3.3Å; I204-S206 PolarHBondContact O-N 3.46Å; S206-K209 VanDerWaalsContact O-O 3.11Å |
| 207 | L | 64.5 | Low | 60.9 | Low | 131 Ų | 131 | 122.9 Ų | 122.9 | 69% | 0.686 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -90.1 | -33 | -179.8 | -154.9 | 152.2 | 0 | 0 | 0 | 111.3 | Q203 I204 | Q203-L207 PolarHBondContact O-N 3.28Å; Q203-L207 VanDerWaalsContact O-N 3.15Å; I204-L207 PolarHBondContact O-N 3.02Å |
| 208 | E | 62.4 | Low | 60 | Low | 168 Ų | 168 | 123.5 Ų | 123.5 | 79% | 0.785 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -67 | -42.9 | 172.3 | -169.2 | -174.4 | 113.6 | 0 | 0 | 112.4 | I204 G210 | I204-E208 PolarHBondContact O-N 3.26Å; E208-G210 PolarHBondContact O-N 2.83Å; E208-G210 VanDerWaalsContact O-N 3.13Å |
| 209 | K | 60.5 | Low | 58.2 | Low | 169 Ų | 169 | 127.6 Ų | 127.6 | 74% | 0.735 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | 85.5 | 167.2 | -73.9 | -156.2 | 175 | -170.7 | 0 | 109.9 | K205 S206 E211 | K205-K209 PolarHBondContact O-N 3.34Å; S206-K209 VanDerWaalsContact O-O 3.11Å; K209-E211 VanDerWaalsContact C-N 3.29Å; K209-E211 PolarHBondContact O-N 3.13Å |
| 210 | G | 60.7 | Low | 56.2 | Low | 72 Ų | 72 | 132.8 Ų | 132.8 | 74% | 0.742 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.6 | 77.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | E208 | E208-G210 PolarHBondContact O-N 2.83Å; E208-G210 VanDerWaalsContact O-N 3.13Å |
| 211 | E | 52.8 | Low | 53.7 | Low | 156 Ų | 156 | 135.4 Ų | 135.4 | 73% | 0.729 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 130.2 | 171.7 | -172 | 170.1 | -177.3 | 0 | 0 | 109.8 | K209 | K209-E211 VanDerWaalsContact C-N 3.29Å; K209-E211 PolarHBondContact O-N 3.13Å |
| 212 | K | 55.5 | Low | 52.2 | Low | 181 Ų | 181 | 135.9 Ų | 135.9 | 79% | 0.787 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 135.9 | -179 | -63.6 | 169.4 | -176.5 | 171.8 | 0 | 108.9 | L214 | K212-L214 PolarHBondContact O-N 2.5Å; K212-L214 VanDerWaalsContact O-N 3.07Å |
| 213 | P | 46.7 | Very low | 50.5 | Low | 130 Ų | 130 | 137.5 Ų | 137.5 | 84% | 0.844 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 117.2 | 176.2 | 24.2 | -33.2 | 0 | 0 | 0 | 110.5 | ||
| 214 | L | 45.7 | Very low | 48.5 | Very low | 146 Ų | 146 | 139.7 Ų | 139.7 | 76% | 0.764 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 155.2 | 175.7 | -78.5 | 173 | 0 | 0 | 0 | 111.1 | K212 | K212-L214 PolarHBondContact O-N 2.5Å; K212-L214 VanDerWaalsContact O-N 3.07Å |
| 215 | P | 38.1 | Very low | 46.6 | Very low | 97 Ų | 97 | 145 Ų | 145 | 63% | 0.63 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 151 | -151.9 | 29.5 | -36.9 | 0 | 0 | 0 | 115.6 | Y217 | P215-Y217 VanDerWaalsContact C-N 3.35Å; P215-Y217 HydrophobicContact CB-CD2 4.26Å; P215-Y217 PolarHBondContact O-N 2.72Å |
| 216 | S | 47.6 | Very low | 44.9 | Very low | 113 Ų | 113 | 146.2 Ų | 146.2 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -67.7 | 77.3 | 178.4 | 173.4 | 0 | 0 | 0 | 0 | 113.5 | ||
| 217 | Y | 41.8 | Very low | 43.2 | Very low | 213 Ų | 213 | 148 Ų | 148 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | trans | -128.6 | 2.2 | 175.2 | -85.9 | -76.2 | 0 | 0 | 0 | 115.7 | P215 | P215-Y217 VanDerWaalsContact C-N 3.35Å; P215-Y217 HydrophobicContact CB-CD2 4.26Å; P215-Y217 PolarHBondContact O-N 2.72Å | ||
| 218 | L | 42.9 | Very low | 41.6 | Very low | 166 Ų | 166 | 150 Ų | 150 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | trans | -122.3 | 45.8 | 178.7 | -156.5 | 72.2 | 0 | 0 | 0 | 113.5 | ||||
| 219 | R | 31.7 | Very low | 40.1 | Very low | 197 Ų | 197 | 150.4 Ų | 150.4 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | trans | -103.9 | 95.6 | 167 | -175.5 | 173.9 | 178.4 | 159.8 | -0.4 | 109.6 | E221 | R219-E221 IonicContact CZ-OE1 2.87Å; R219-E221 IonicContact NE-OE1 3.69Å; R219-E221 PolarHBondContact NE-OE1 2.93Å; R219-E221 IonicContact NH2-OE1 3.59Å; R219-E221 PolarHBondContact NH2-OE1 3.4Å | ||
| 220 | Q | 29.5 | Very low | 38.6 | Very low | 181 Ų | 181 | 148.1 Ų | 148.1 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | trans | -94.6 | 111.5 | 166.7 | -74.2 | -173 | -53.7 | 0 | 0 | 109.4 | ||||
| 221 | E | 28.8 | Very low | 37.6 | Very low | 127 Ų | 127 | 150.2 Ų | 150.2 | 59% | 0.593 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 126.3 | 172.2 | -67.4 | -83.6 | 131.9 | 0 | 0 | 110.2 | R219 | R219-E221 IonicContact CZ-OE1 2.87Å; R219-E221 IonicContact NE-OE1 3.69Å; R219-E221 PolarHBondContact NE-OE1 2.93Å; R219-E221 IonicContact NH2-OE1 3.59Å; R219-E221 PolarHBondContact NH2-OE1 3.4Å |
| 222 | P | 37 | Very low | 37.5 | Very low | 121 Ų | 121 | 148.3 Ų | 148.3 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 119 | 168.5 | 31.3 | -30.8 | 0 | 0 | 0 | 110.6 | ||
| 223 | T | 30.3 | Very low | 36.8 | Very low | 117 Ų | 117 | 145.4 Ų | 145.4 | 72% | 0.718 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -77 | 140.5 | 172.4 | 42.3 | 0 | 0 | 0 | 0 | 111.7 | ||
| 224 | P | 33.1 | Very low | 36.5 | Very low | 128 Ų | 128 | 145.2 Ų | 145.2 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -72 | 147.3 | 173.3 | 30.9 | -34.4 | 0 | 0 | 0 | 110.8 | ||
| 225 | K | 33.4 | Very low | 36.4 | Very low | 202 Ų | 202 | 149.1 Ų | 149.1 | 88% | 0.878 | 78% | 0.78 | S | S | * | * | trans | -133.4 | 144.9 | 169.8 | -74.1 | -168.4 | 175.7 | -172.1 | 0 | 110.3 | ||||
| 226 | E | 32.5 | Very low | 36.2 | Very low | 183 Ų | 183 | 151.7 Ų | 151.7 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | trans | -126.2 | 158.8 | 176 | -135.2 | 176.2 | -166.1 | 0 | 0 | 109.3 | ||||
| 227 | T | 32.1 | Very low | 35.6 | Very low | 109 Ų | 109 | 152.3 Ų | 152.3 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | trans | 75.8 | 98.6 | 154.2 | -51 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 228 | E | 31.1 | Very low | 35.3 | Very low | 173 Ų | 173 | 152.5 Ų | 152.5 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | 96.4 | 142.5 | 123.8 | -159.7 | 159.1 | -156.6 | 0 | 0 | 123.7 | |||||
| 229 | E | 29.5 | Very low | 34.9 | Very low | 177 Ų | 177 | 153.7 Ų | 153.7 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | trans | 66.6 | 168.4 | 165.5 | -89.4 | -159.1 | 122.9 | 0 | 0 | 125.1 | ||||
| 230 | T | 30.2 | Very low | 34.8 | Very low | 121 Ų | 121 | 155.1 Ų | 155.1 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | trans | -136.8 | 175.5 | -160.2 | -16.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 231 | P | 39.4 | Very low | 35.1 | Very low | 117 Ų | 117 | 151 Ų | 151 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | cis | -125.4 | -176 | -3.2 | 17.3 | 10.9 | 0 | 0 | 0 | 115.4 | ||||
| 232 | P | 50.7 | Low | 35.5 | Very low | 115 Ų | 115 | 151.3 Ų | 151.3 | 75% | 0.747 | 81% | 0.813 | S | S | * | * | trans | -100.4 | 163.2 | -169 | 39.6 | -37 | 0 | 0 | 0 | 116.3 | ||||
| 233 | P | 41.6 | Very low | 35.4 | Very low | 120 Ų | 120 | 156.6 Ų | 156.6 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | -153 | -166.5 | 110.5 | 39 | -20 | 0 | 0 | 0 | 113.9 | |||||
| 234 | P | 39.8 | Very low | 36.1 | Very low | 126 Ų | 126 | 156.1 Ų | 156.1 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | -122.2 | -172.6 | -57.2 | 38 | -23.3 | 0 | 0 | 0 | 113.3 | |||||
| 235 | R | 42.7 | Very low | 36.7 | Very low | 228 Ų | 228 | 156.2 Ų | 156.2 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | -72.8 | 156.3 | -175.4 | -57.1 | 170.5 | 178.3 | 166.7 | -3.7 | 114.9 | ||||
| 236 | V | 34.7 | Very low | 37.1 | Very low | 151 Ų | 151 | 150.9 Ų | 150.9 | 92% | 0.915 | 81% | 0.81 | S | S | * | * | trans | -129.6 | 108 | 149.4 | -84.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 237 | T | 34.4 | Very low | 38 | Very low | 127 Ų | 127 | 147.9 Ų | 147.9 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | trans | -84.1 | 137.7 | 168.6 | 30.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 238 | K | 36.4 | Very low | 39.2 | Very low | 216 Ų | 216 | 148.3 Ų | 148.3 | 94% | 0.939 | 81% | 0.811 | S | S | * | * | trans | -106.4 | 136.3 | 166.1 | -108.8 | 178.7 | 177.7 | 176.7 | 0 | 110.3 | ||||
| 239 | Q | 35 | Very low | 40 | Very low | 191 Ų | 191 | 145.6 Ų | 145.6 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 160.4 | -164.2 | -73.6 | -179.8 | -28.9 | 0 | 0 | 114.4 | ||
| 240 | R | 29.2 | Very low | 40.6 | Very low | 227 Ų | 227 | 143.2 Ų | 143.2 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 138.7 | 179.2 | -179.4 | -174.9 | -162.6 | 173.8 | 8.2 | 112.4 | ||
| 241 | A | 34.8 | Very low | 41.4 | Very low | 96 Ų | 96 | 143.7 Ų | 143.7 | 79% | 0.793 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 142.6 | 158.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 242 | T | 37.2 | Very low | 41.5 | Very low | 132 Ų | 132 | 144 Ų | 144 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 147.6 | -174.1 | 44.6 | 0 | 0 | 0 | 0 | 112.9 | ||
| 243 | R | 35.1 | Very low | 40.9 | Very low | 233 Ų | 233 | 146.1 Ų | 146.1 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | trans | -106.1 | 141.5 | 173.6 | -161.7 | 174.8 | -161.7 | -96.9 | 4.2 | 108.9 | ||||
| 244 | P | 44.7 | Very low | 40.8 | Very low | 106 Ų | 106 | 145.9 Ų | 145.9 | 69% | 0.688 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 156.7 | -178.7 | 26.1 | -35.9 | 0 | 0 | 0 | 113.3 | ||
| 245 | P | 45.3 | Very low | 40.9 | Very low | 130 Ų | 130 | 145.6 Ų | 145.6 | 84% | 0.844 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 156.3 | 179.3 | 31.6 | -36 | 0 | 0 | 0 | 112.9 | ||
| 246 | A | 43.5 | Very low | 40.9 | Very low | 90 Ų | 90 | 140 Ų | 140 | 74% | 0.744 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 155.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 247 | P | 49.9 | Very low | 41.2 | Very low | 120 Ų | 120 | 138.8 Ų | 138.8 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -73 | 156.6 | -178.9 | 30.3 | -36.1 | 0 | 0 | 0 | 113.5 | ||
| 248 | P | 58.8 | Low | 41.3 | Very low | 119 Ų | 119 | 140 Ų | 140 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 156.6 | 179.7 | 32.2 | -36.1 | 0 | 0 | 0 | 113.5 | ||
| 249 | P | 46.4 | Very low | 41.1 | Very low | 116 Ų | 116 | 135.7 Ų | 135.7 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 160.4 | 176.1 | 32.5 | -36.1 | 0 | 0 | 0 | 113.1 | ||
| 250 | P | 42.7 | Very low | 41.2 | Very low | 126 Ų | 126 | 131.4 Ų | 131.4 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 150.5 | -178.6 | 31.1 | -36 | 0 | 0 | 0 | 113.5 | ||
| 251 | V | 46.7 | Very low | 41.5 | Very low | 131 Ų | 131 | 129 Ų | 129 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 145.6 | 174.4 | -84 | 0 | 0 | 0 | 0 | 112.5 | ||
| 252 | P | 41.4 | Very low | 41.5 | Very low | 123 Ų | 123 | 129.1 Ų | 129.1 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 138.4 | 175.4 | 30.3 | -34.4 | 0 | 0 | 0 | 111.7 | ||
| 253 | I | 39.3 | Very low | 41.3 | Very low | 160 Ų | 160 | 128.8 Ų | 128.8 | 82% | 0.821 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 127.6 | 177.4 | -64.7 | 172.4 | 0 | 0 | 0 | 109.6 | ||
| 254 | S | 38.6 | Very low | 41.2 | Very low | 115 Ų | 115 | 124.1 Ų | 124.1 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 141.6 | 170.3 | -173.6 | 0 | 0 | 0 | 0 | 110.7 | ||
| 255 | V | 42.8 | Very low | 41.7 | Very low | 120 Ų | 120 | 124.6 Ų | 124.6 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -120.4 | 136.2 | 173.9 | -72.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 256 | P | 42.6 | Very low | 41.2 | Very low | 111 Ų | 111 | 126.7 Ų | 126.7 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | trans | -84 | 156.5 | -172.6 | 33.9 | -36.3 | 0 | 0 | 0 | 113.2 | ||||
| 257 | P | 41.3 | Very low | 40.6 | Very low | 125 Ų | 125 | 126.7 Ų | 126.7 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | trans | -83.8 | 150.7 | 174.7 | 34.6 | -34.8 | 0 | 0 | 0 | 112.4 | ||||
| 258 | L | 35.1 | Very low | 39.8 | Very low | 154 Ų | 154 | 126.7 Ų | 126.7 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | trans | -124.1 | 121.4 | 165.7 | -114 | 84 | 0 | 0 | 0 | 112.1 | ||||
| 259 | T | 33.7 | Very low | 38.8 | Very low | 125 Ų | 125 | 127.4 Ų | 127.4 | 77% | 0.767 | 78% | 0.782 | S | S | * | * | trans | 31.1 | 124.5 | 142.8 | 53.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 260 | A | 35.6 | Very low | 39.2 | Very low | 101 Ų | 101 | 127.2 Ų | 127.2 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | trans | -76.5 | 157 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 261 | I | 36 | Very low | 38.7 | Very low | 175 Ų | 175 | 127.9 Ų | 127.9 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | trans | -136.3 | 148.1 | 157.2 | -42.6 | 177.3 | 0 | 0 | 0 | 107.3 | ||||
| 262 | S | 34 | Very low | 38.6 | Very low | 100 Ų | 100 | 127.1 Ų | 127.1 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | trans | -128.2 | 142.7 | 178.8 | 176.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 263 | V | 33.3 | Very low | 38.3 | Very low | 124 Ų | 124 | 125.8 Ų | 125.8 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | 175.9 | 146.7 | 120.5 | -80.2 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 264 | T | 34.5 | Very low | 38.6 | Very low | 135 Ų | 135 | 123.9 Ų | 123.9 | 83% | 0.828 | 78% | 0.778 | S | S | * | * | trans | 67 | 140.5 | 151.2 | 45.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 265 | P | 54.9 | Low | 38.6 | Very low | 117 Ų | 117 | 126 Ų | 126 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | trans | -115.9 | 168.6 | 176.8 | 42.1 | -33 | 0 | 0 | 0 | 114.9 | ||||
| 266 | M | 33.4 | Very low | 38.1 | Very low | 173 Ų | 173 | 125.6 Ų | 125.6 | 85% | 0.852 | 78% | 0.781 | S | S | * | * | 164.7 | 160.4 | 129.3 | -92.6 | -176.9 | 72.5 | 0 | 0 | 115.2 | |||||
| 267 | S | 31.3 | Very low | 37.8 | Very low | 90 Ų | 90 | 126.5 Ų | 126.5 | 63% | 0.629 | 79% | 0.785 | S | S | * | * | trans | 90 | 101.6 | 147 | -83 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 268 | V | 33.2 | Very low | 37.4 | Very low | 120 Ų | 120 | 126 Ų | 126 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | 70.3 | 120.2 | 125.7 | -57.3 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 269 | T | 37.8 | Very low | 37.3 | Very low | 135 Ų | 135 | 124.3 Ų | 124.3 | 83% | 0.828 | 79% | 0.785 | S | S | * | * | trans | 80.3 | 153.8 | 136.7 | 48.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 270 | P | 54.1 | Low | 37.5 | Very low | 112 Ų | 112 | 124.8 Ų | 124.8 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -122.5 | 169.8 | -157.5 | 43.1 | -30.4 | 0 | 0 | 0 | 116.2 | ||||
| 271 | T | 32.7 | Very low | 37.7 | Very low | 139 Ų | 139 | 126.4 Ų | 126.4 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | -170.4 | 151.2 | 149.3 | -79 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 272 | P | 45.6 | Very low | 37.9 | Very low | 115 Ų | 115 | 121.8 Ų | 121.8 | 75% | 0.747 | 78% | 0.775 | S | S | * | * | trans | -119.6 | -179.9 | -162.8 | 42.7 | -31.7 | 0 | 0 | 0 | 116.9 | ||||
| 273 | A | 35.4 | Very low | 37.9 | Very low | 95 Ų | 95 | 120.3 Ų | 120.3 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | 76.8 | 161.5 | 160.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 274 | P | 45.4 | Very low | 38.1 | Very low | 121 Ų | 121 | 126.4 Ų | 126.4 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | cis | -123.9 | 169 | 5.1 | 41.5 | -27.5 | 0 | 0 | 0 | 117.4 | ||||
| 275 | I | 38.6 | Very low | 38.4 | Very low | 159 Ų | 159 | 129 Ų | 129 | 82% | 0.815 | 79% | 0.788 | S | S | * | * | trans | -46.6 | 144.9 | 167.8 | 5.6 | 172.6 | 0 | 0 | 0 | 114 | ||||
| 276 | S | 32.2 | Very low | 37.6 | Very low | 112 Ų | 112 | 133.6 Ų | 133.6 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | trans | -128.5 | 126.2 | 155.7 | -174.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 277 | V | 36.1 | Very low | 38 | Very low | 130 Ų | 130 | 130.1 Ų | 130.1 | 79% | 0.788 | 79% | 0.789 | S | S | * | * | trans | -108.9 | 135.2 | 174.9 | -74.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 278 | S | 31.9 | Very low | 38.3 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | -137.9 | 114.1 | 170.4 | -75.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 279 | S | 34.1 | Very low | 38.4 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | trans | -72.4 | 140.2 | 173.2 | -179.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 280 | T | 37.6 | Very low | 38.8 | Very low | 135 Ų | 135 | 132.3 Ų | 132.3 | 83% | 0.828 | 79% | 0.793 | S | S | * | * | trans | -136.9 | 137.5 | 163.1 | -66.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 281 | V | 40.4 | Very low | 38.3 | Very low | 134 Ų | 134 | 134.2 Ų | 134.2 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -75 | 149.3 | -168.1 | 70.8 | 0 | 0 | 0 | 0 | 112.9 | G283 | V281-G283 PolarHBondContact O-N 3.26Š|
| 282 | A | 38.6 | Very low | 38.7 | Very low | 79 Ų | 79 | 132.9 Ų | 132.9 | 65% | 0.653 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 117.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 283 | G | 34.8 | Very low | 38 | Very low | 68 Ų | 68 | 133.2 Ų | 133.2 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 126 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | V281 E285 | V281-G283 PolarHBondContact O-N 3.26Å; G283-E285 PolarHBondContact O-N 3.43Å; G283-E285 VanDerWaalsContact O-N 3.13Å |
| 284 | W | 38.2 | Very low | 38 | Very low | 253 Ų | 253 | 134 Ų | 134 | 96% | 0.958 | 79% | 0.789 | S | S | * | * | trans | -84.4 | 79.5 | 179.7 | -76.2 | 59.4 | 0 | 0 | 0 | 111 | ||||
| 285 | E | 40.2 | Very low | 37.5 | Very low | 190 Ų | 190 | 133.2 Ų | 133.2 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | trans | -75.5 | 130.8 | 176.5 | -66.8 | -142.4 | 130.6 | 0 | 0 | 112.7 | G283 A287 | G283-E285 PolarHBondContact O-N 3.43Å; G283-E285 VanDerWaalsContact O-N 3.13Å; E285-A287 PolarHBondContact O-N 3.5Å | ||
| 286 | R | 38.9 | Very low | 37.4 | Very low | 213 Ų | 213 | 132.7 Ų | 132.7 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -84.1 | 91.6 | -173.9 | -177.7 | -174.2 | -66.4 | 138 | 0.8 | 110.9 | Q288 | R286-Q288 PolarHBondContact O-N 3.21Š| ||
| 287 | A | 41.1 | Very low | 37.8 | Very low | 100 Ų | 100 | 133.6 Ų | 133.6 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | trans | -59.5 | 108.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | E285 | E285-A287 PolarHBondContact O-N 3.5Š| ||
| 288 | Q | 37.5 | Very low | 37.9 | Very low | 153 Ų | 153 | 133.9 Ų | 133.9 | 72% | 0.715 | 79% | 0.789 | S | S | * | * | trans | -88.5 | 113.8 | 169.3 | -72.4 | -72.3 | -87.3 | 0 | 0 | 109 | R286 T290 | R286-Q288 PolarHBondContact O-N 3.21Å; Q288-T290 PolarHBondContact O-N 2.83Å | ||
| 289 | S | 34.5 | Very low | 37.9 | Very low | 107 Ų | 107 | 137.2 Ų | 137.2 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | -82.8 | 108.8 | 177.2 | -173.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 290 | T | 45.9 | Very low | 38.2 | Very low | 131 Ų | 131 | 140.3 Ų | 140.3 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -110 | 93.8 | 174.9 | 41.7 | 0 | 0 | 0 | 0 | 110.4 | Q288 | Q288-T290 PolarHBondContact O-N 2.83Š| ||
| 291 | L | 45.1 | Very low | 38.2 | Very low | 151 Ų | 151 | 139.7 Ų | 139.7 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | -104.4 | 140.2 | 171.1 | -65.1 | 179.4 | 0 | 0 | 0 | 110.7 | ||||
| 292 | P | 39.6 | Very low | 38.1 | Very low | 112 Ų | 112 | 142.2 Ų | 142.2 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | -76.6 | 141.1 | -175 | 30.7 | -35 | 0 | 0 | 0 | 112.4 | ||||
| 293 | S | 31.7 | Very low | 38.1 | Very low | 121 Ų | 121 | 145.4 Ų | 145.4 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | trans | -72.6 | 133.4 | 166.5 | -176 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 294 | V | 35.7 | Very low | 38.2 | Very low | 111 Ų | 111 | 147.7 Ų | 147.7 | 67% | 0.673 | 81% | 0.806 | S | S | * | * | trans | -123.4 | 102.9 | 174.3 | -177.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 295 | S | 34.4 | Very low | 37.7 | Very low | 106 Ų | 106 | 139 Ų | 139 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | trans | -83.6 | 137.5 | 164.3 | 44.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 296 | N | 35.9 | Very low | 37.5 | Very low | 147 Ų | 147 | 138.9 Ų | 138.9 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | trans | -135.2 | 130.7 | 171.7 | -92.6 | -39.8 | 0 | 0 | 0 | 109.6 | ||||
| 297 | T | 41.4 | Very low | 37.1 | Very low | 132 Ų | 132 | 132.6 Ų | 132.6 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | -137.1 | 110 | -177.5 | 51.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 298 | V | 38.7 | Very low | 36.6 | Very low | 135 Ų | 135 | 134.3 Ų | 134.3 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -165.8 | 125.7 | 164.3 | -91.9 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 299 | E | 31.7 | Very low | 36.3 | Very low | 184 Ų | 184 | 136 Ų | 136 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | cis | 67 | 133.5 | 30.3 | -156.6 | 165.1 | -155.9 | 0 | 0 | 114.1 | ||||
| 300 | E | 39.7 | Very low | 36.1 | Very low | 185 Ų | 185 | 136.1 Ų | 136.1 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | 56.9 | 88.7 | -172.3 | -63.8 | -158.8 | 130.7 | 0 | 0 | 118.4 | ||||
| 301 | V | 38.9 | Very low | 36 | Very low | 121 Ų | 121 | 136.1 Ų | 136.1 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | -144.4 | 145.7 | 125 | -144.9 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 302 | F | 37.4 | Very low | 35.1 | Very low | 188 Ų | 188 | 132.2 Ų | 132.2 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | 65.5 | 82.8 | 168.3 | -54.4 | -60.3 | 0 | 0 | 0 | 118.8 | ||||
| 303 | T | 39.7 | Very low | 34.7 | Very low | 146 Ų | 146 | 134.7 Ų | 134.7 | 90% | 0.896 | 80% | 0.799 | S | S | * | * | trans | -87.3 | 126.3 | 141 | -60.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 304 | S | 34.9 | Very low | 35 | Very low | 116 Ų | 116 | 134 Ų | 134 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | -144 | 129.1 | 164.9 | -78 | 0 | 0 | 0 | 0 | 108 | ||||
| 305 | G | 29.4 | Very low | 34.5 | Very low | 71 Ų | 71 | 134 Ų | 134 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | trans | -140.4 | 162.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 306 | L | 34.6 | Very low | 34.3 | Very low | 186 Ų | 186 | 138.7 Ų | 138.7 | 97% | 0.974 | 80% | 0.799 | S | S | * | * | trans | -162.1 | 156 | 157.2 | -107.9 | 165.2 | 0 | 0 | 0 | 108.9 | ||||
| 307 | A | 31.8 | Very low | 33.9 | Very low | 81 Ų | 81 | 136.9 Ų | 136.9 | 67% | 0.669 | 80% | 0.798 | S | S | * | * | trans | -100.7 | 162.2 | -169 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 308 | N | 31 | Very low | 33.8 | Very low | 137 Ų | 137 | 136.7 Ų | 136.7 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | -168.7 | 122 | 129.4 | -98.2 | -46.6 | 0 | 0 | 0 | 114.8 | |||||
| 309 | K | 30.3 | Very low | 33.2 | Very low | 189 Ų | 189 | 135.1 Ų | 135.1 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | 54.2 | 114 | 133.7 | -60.6 | 174.6 | -175.6 | -179.7 | 0 | 121.5 | ||||
| 310 | S | 30.8 | Very low | 33 | Very low | 109 Ų | 109 | 137.9 Ų | 137.9 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | trans | -86.3 | 153.1 | 145.6 | -168.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 311 | P | 42.5 | Very low | 32.5 | Very low | 130 Ų | 130 | 134.3 Ų | 134.3 | 84% | 0.844 | 80% | 0.798 | S | S | * | * | -139.3 | 175.3 | 84.9 | 37.4 | -21.3 | 0 | 0 | 0 | 113.1 | |||||
| 312 | G | 27.1 | Very low | 32 | Very low | 70 Ų | 70 | 131.2 Ų | 131.2 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | cis | -178.2 | 173.6 | -0.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 313 | L | 30.4 | Very low | 31.6 | Very low | 164 Ų | 164 | 129.7 Ų | 129.7 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | trans | -81.2 | 165.7 | -178.6 | -136 | 76.5 | 0 | 0 | 0 | 112.2 | ||||
| 314 | P | 39.1 | Very low | 31.1 | Very low | 107 Ų | 107 | 128.8 Ų | 128.8 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | -156.6 | 155.7 | 77 | 41.5 | -21.2 | 0 | 0 | 0 | 119.6 | |||||
| 315 | T | 24.1 | Very low | 31 | Very low | 109 Ų | 109 | 127.6 Ų | 127.6 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | trans | 48.2 | 122.7 | 144.2 | 62.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 316 | K | 30.6 | Very low | 31.2 | Very low | 205 Ų | 205 | 135.6 Ų | 135.6 | 89% | 0.891 | 79% | 0.791 | S | S | * | * | -179.5 | 140.2 | 99.7 | -98.4 | 164.3 | -175.8 | 171 | 0 | 113.3 | |||||
| 317 | S | 27 | Very low | 31 | Very low | 109 Ų | 109 | 134.9 Ų | 134.9 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | -101.7 | 167.2 | 156.6 | 57 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 318 | P | 39.3 | Very low | 31.1 | Very low | 129 Ų | 129 | 142.6 Ų | 142.6 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | -140.2 | 168.8 | 101.7 | 38.7 | -26.4 | 0 | 0 | 0 | 113.9 | |||||
| 319 | A | 27.5 | Very low | 31.1 | Very low | 102 Ų | 102 | 144.7 Ų | 144.7 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -105.5 | 164.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 320 | R | 27.4 | Very low | 31.3 | Very low | 241 Ų | 241 | 141.7 Ų | 141.7 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | -160.2 | 120.8 | 146.2 | -165.6 | 161.6 | -175.6 | -140.4 | -3.6 | 114.6 | ||||
| 321 | S | 29.1 | Very low | 31.2 | Very low | 110 Ų | 110 | 144.2 Ų | 144.2 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | 41 | 130.9 | 143.9 | -163.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 322 | G | 27.7 | Very low | 30.4 | Very low | 57 Ų | 57 | 142.5 Ų | 142.5 | 59% | 0.588 | 79% | 0.788 | S | S | * | * | cis | 147.5 | 152.8 | 14 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 323 | N | 29.2 | Very low | 30.5 | Very low | 155 Ų | 155 | 143.6 Ų | 143.6 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | trans | 71.5 | 151 | 160.3 | -49.9 | -4.7 | 0 | 0 | 0 | 116.7 | ||||
| 324 | T | 29.7 | Very low | 30.5 | Very low | 128 Ų | 128 | 140.4 Ų | 140.4 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | cis | -156.5 | 155.5 | 7.9 | -18.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 325 | A | 32.5 | Very low | 30.1 | Very low | 90 Ų | 90 | 143.6 Ų | 143.6 | 74% | 0.744 | 79% | 0.794 | S | S | * | * | trans | 56.7 | 146.8 | 151.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 326 | R | 33.1 | Very low | 30.3 | Very low | 240 Ų | 240 | 143.3 Ų | 143.3 | 91% | 0.906 | 79% | 0.792 | S | S | * | * | cis | 167.9 | 116.5 | -22.3 | -119.2 | -174.9 | -179.5 | 170.2 | 0.1 | 104.4 | ||||
| 327 | D | 30.9 | Very low | 30.3 | Very low | 170 Ų | 170 | 141.9 Ų | 141.9 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | trans | -70.5 | 168.4 | 177.6 | -55.8 | -80.8 | 0 | 0 | 0 | 113.6 | ||||
| 328 | R | 34.1 | Very low | 30.4 | Very low | 244 Ų | 244 | 140.5 Ų | 140.5 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | trans | -146.6 | 104.9 | 173.9 | -173 | -178.5 | -178.7 | 172.4 | 0.7 | 113.6 | ||||
| 329 | E | 31 | Very low | 29.9 | Very low | 181 Ų | 181 | 142.2 Ų | 142.2 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | trans | -120.7 | 166.6 | 151 | -111.2 | -174.8 | 145.1 | 0 | 0 | 106.9 | ||||
| 330 | E | 33.6 | Very low | 30.1 | Very low | 125 Ų | 125 | 145 Ų | 145 | 58% | 0.584 | 78% | 0.776 | S | S | * | * | cis | -154.4 | 166.7 | 10 | -150 | -138.4 | 140.2 | 0 | 0 | 110.7 | ||||
| 331 | K | 30 | Very low | 30.2 | Very low | 162 Ų | 162 | 137.5 Ų | 137.5 | 70% | 0.704 | 77% | 0.765 | S | S | * | * | trans | 71.3 | 162.5 | 142.9 | -128.7 | -178.3 | -149 | 79.9 | 0 | 123.3 | ||||
| 332 | A | 25.8 | Very low | 30.4 | Very low | 95 Ų | 95 | 138.7 Ų | 138.7 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | 78.4 | 136.6 | 159.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 333 | A | 29.1 | Very low | 30.7 | Very low | 93 Ų | 93 | 140.9 Ų | 140.9 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | cis | -160.6 | 170.7 | -6.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 334 | A | 30.8 | Very low | 31.4 | Very low | 97 Ų | 97 | 139.5 Ų | 139.5 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | trans | 61.8 | 156.8 | 161.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 335 | Q | 29.8 | Very low | 31.8 | Very low | 174 Ų | 174 | 139.4 Ų | 139.4 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | cis | 150.9 | 136.4 | -20.9 | -122.1 | -173.1 | -6.5 | 0 | 0 | 106.8 | ||||
| 336 | T | 28.1 | Very low | 31.8 | Very low | 103 Ų | 103 | 144 Ų | 144 | 63% | 0.632 | 78% | 0.776 | S | S | * | * | trans | 87.4 | 125.8 | 146.6 | -53.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 337 | E | 30.3 | Very low | 32 | Very low | 174 Ų | 174 | 135.6 Ų | 135.6 | 81% | 0.813 | 76% | 0.758 | S | S | * | * | trans | 69.4 | 150.7 | 159.3 | -76.5 | -179.3 | -127.6 | 0 | 0 | 119.8 | ||||
| 338 | S | 29.2 | Very low | 32.5 | Very low | 81 Ų | 81 | 136.3 Ų | 136.3 | 57% | 0.566 | 76% | 0.756 | S | S | * | * | cis | -158.7 | 152.6 | -2.9 | -123.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 339 | Q | 29 | Very low | 32.7 | Very low | 164 Ų | 164 | 132.1 Ų | 132.1 | 77% | 0.766 | 74% | 0.744 | S | S | * | * | trans | 64.6 | 148.4 | 148.7 | -68 | -169.7 | 28.3 | 0 | 0 | 123.8 | ||||
| 340 | L | 32.7 | Very low | 33.1 | Very low | 162 Ų | 162 | 129.3 Ų | 129.3 | 85% | 0.848 | 74% | 0.735 | S | S | * | * | trans | 61.9 | 140 | 161.9 | -61.2 | 153.3 | 0 | 0 | 0 | 116.3 | ||||
| 341 | A | 28.9 | Very low | 33.6 | Very low | 82 Ų | 82 | 129 Ų | 129 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | cis | -160.9 | 177.9 | -15.4 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 342 | T | 33.6 | Very low | 34.6 | Very low | 135 Ų | 135 | 125 Ų | 125 | 83% | 0.828 | 74% | 0.735 | S | S | * | * | cis | -154.7 | 160.2 | 13.8 | -35.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 343 | S | 33.6 | Very low | 36 | Very low | 103 Ų | 103 | 124.9 Ų | 124.9 | 72% | 0.72 | 73% | 0.728 | S | S | * | * | trans | -70.6 | 164.5 | 165 | 7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 344 | P | 42.8 | Very low | 37 | Very low | 127 Ų | 127 | 127.6 Ų | 127.6 | 83% | 0.825 | 73% | 0.73 | S | S | * | * | cis | -141.1 | 165.7 | 39.2 | 41.2 | -22.2 | 0 | 0 | 0 | 119.5 | ||||
| 345 | T | 39.3 | Very low | 37.8 | Very low | 125 Ų | 125 | 131 Ų | 131 | 77% | 0.767 | 73% | 0.734 | S | S | * | * | trans | -54 | 145.3 | 170.7 | -47.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 346 | F | 31.6 | Very low | 38.7 | Very low | 188 Ų | 188 | 130.4 Ų | 130.4 | 83% | 0.825 | 74% | 0.735 | S | S | * | * | trans | -116.9 | 151.8 | 139.1 | -164.8 | -100.1 | 0 | 0 | 0 | 109.8 | F349 | F346-F349 HydrophobicContact CE1-CE1 4.4Š| ||
| 347 | A | 39 | Very low | 39.9 | Very low | 62 Ų | 62 | 133.3 Ų | 133.3 | 51% | 0.512 | 74% | 0.739 | S | S | . | * | trans | -77.7 | 134.7 | -158.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | F349 | A347-F349 VanDerWaalsContact O-CD1 3.28Å; A347-F349 WeakPolarHBondContact O-CD1 3.47Å; A347-F349 PolarHBondContact O-N 3.18Å; A347-F349 VanDerWaalsContact O-N 3.08Å | ||
| 348 | Q | 39.7 | Very low | 40.9 | Very low | 185 Ų | 185 | 130.6 Ų | 130.6 | 86% | 0.864 | 73% | 0.734 | S | S | * | * | trans | -72.5 | 91.9 | 166.1 | -179.7 | -175.7 | -19.2 | 0 | 0 | 109.8 | N350 | Q348-N350 PolarHBondContact O-N 3.38Š| ||
| 349 | F | 38.3 | Very low | 42 | Very low | 156 Ų | 156 | 130.7 Ų | 130.7 | 68% | 0.684 | 75% | 0.748 | S | S | * | * | trans | -73.1 | 104.9 | 170.4 | 38.6 | -90.5 | 0 | 0 | 0 | 110 | F346 A347 T351 | F346-F349 HydrophobicContact CE1-CE1 4.4Å; A347-F349 VanDerWaalsContact O-CD1 3.28Å; A347-F349 WeakPolarHBondContact O-CD1 3.47Å; A347-F349 PolarHBondContact O-N 3.18Å; A347-F349 VanDerWaalsContact O-N 3.08Å; F349-T351 PolarHBondContact O-N 2.96Å | ||
| 350 | N | 40.2 | Very low | 43.1 | Very low | 123 Ų | 123 | 131.5 Ų | 131.5 | 66% | 0.658 | 75% | 0.749 | S | S | * | * | trans | -74.7 | 91 | 177.4 | -179.1 | 9 | 0 | 0 | 0 | 110.9 | Q348 S352 | Q348-N350 PolarHBondContact O-N 3.38Å; N350-S352 PolarHBondContact O-N 2.98Å; N350-S352 WeakPolarHBondContact OD1-CB 3.46Å; N350-S352 PolarHBondContact OD1-N 2.82Å; N350-S352 VanDerWaalsContact OD1-N 3.16Å; N350-S352 PolarHBondContact OD1-OG 3.28Å | ||
| 351 | T | 43.1 | Very low | 44.2 | Very low | 117 Ų | 117 | 128.7 Ų | 128.7 | 72% | 0.718 | 74% | 0.735 | S | S | * | * | trans | -85.7 | 47.8 | 171.8 | 48.8 | 0 | 0 | 0 | 0 | 112.3 | F349 S353 | F349-T351 PolarHBondContact O-N 2.96Å; T351-S353 PolarHBondContact O-N 3.09Å | ||
| 352 | S | 52 | Low | 45.4 | Very low | 79 Ų | 79 | 134.5 Ų | 134.5 | 55% | 0.552 | 75% | 0.745 | S | S | * | * | trans | -62.1 | 130.8 | 165.1 | 58.3 | 0 | 0 | 0 | 0 | 110.3 | N350 | N350-S352 PolarHBondContact O-N 2.98Å; N350-S352 WeakPolarHBondContact OD1-CB 3.46Å; N350-S352 PolarHBondContact OD1-N 2.82Å; N350-S352 VanDerWaalsContact OD1-N 3.16Å; N350-S352 PolarHBondContact OD1-OG 3.28Å | ||
| 353 | S | 55.6 | Low | 46.7 | Very low | 93 Ų | 93 | 134.7 Ų | 134.7 | 65% | 0.65 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 75.2 | 145.6 | -175.7 | 77.7 | 0 | 0 | 0 | 0 | 116.9 | T351 | T351-S353 PolarHBondContact O-N 3.09Š|
| 354 | N | 50.3 | Low | 48 | Very low | 150 Ų | 150 | 137.3 Ų | 137.3 | 80% | 0.802 | 75% | 0.746 | S | S | * | * | trans | 76.1 | 29.3 | 170.9 | -47.8 | -62.2 | 0 | 0 | 0 | 118.7 | L356 | N354-L356 PolarHBondContact O-N 2.9Š| ||
| 355 | L | 46.8 | Very low | 48.3 | Very low | 169 Ų | 169 | 139.2 Ų | 139.2 | 89% | 0.885 | 75% | 0.75 | S | S | * | * | trans | -69.6 | 114.1 | 147.1 | -81.4 | 169.7 | 0 | 0 | 0 | 108.4 | K357 | L355-K357 PolarHBondContact O-N 2.81Š| ||
| 356 | L | 49.3 | Very low | 48.5 | Very low | 160 Ų | 160 | 148.3 Ų | 148.3 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | trans | -62.7 | 130.6 | 174.5 | -73.7 | 163.4 | 0 | 0 | 0 | 109.3 | N354 T358 | N354-L356 PolarHBondContact O-N 2.9Å; L356-T358 VanDerWaalsContact C-N 3.32Å; L356-T358 PolarHBondContact O-N 3.28Å | ||
| 357 | K | 52.2 | Low | 49.4 | Very low | 165 Ų | 165 | 146.4 Ų | 146.4 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | trans | -70.9 | 83.6 | -175.7 | -168.6 | -177.3 | 178.9 | 80.5 | 0 | 110.8 | L355 D361 | L355-K357 PolarHBondContact O-N 2.81Å; K357-D361 IonicContact NZ-OD2 2.71Å; K357-D361 PolarHBondContact NZ-OD2 3.48Å | ||
| 358 | T | 51.4 | Low | 49.9 | Very low | 116 Ų | 116 | 150.8 Ų | 150.8 | 71% | 0.712 | 78% | 0.781 | S | S | * | * | trans | -61.6 | 144.2 | 164.8 | 50.9 | 0 | 0 | 0 | 0 | 109.2 | L356 F360 | L356-T358 VanDerWaalsContact C-N 3.32Å; L356-T358 PolarHBondContact O-N 3.28Å; T358-F360 PolarHBondContact O-N 2.74Å | ||
| 359 | G | 51.8 | Low | 50.5 | Low | 83 Ų | 83 | 148.9 Ų | 148.9 | 86% | 0.856 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -77.1 | 60.5 | -167.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 360 | F | 52.9 | Low | 51.2 | Low | 182 Ų | 182 | 148.5 Ų | 148.5 | 80% | 0.798 | 78% | 0.782 | S | S | * | * | trans | -142.1 | 54.4 | -179 | -147 | -92.5 | 0 | 0 | 0 | 112.1 | T358 | T358-F360 PolarHBondContact O-N 2.74Š| ||
| 361 | D | 56.3 | Low | 51.9 | Low | 102 Ų | 102 | 150.1 Ų | 150.1 | 55% | 0.545 | 79% | 0.79 | S | S | . | * | trans | -141.2 | 50.6 | -169.7 | -172.4 | 25 | 0 | 0 | 0 | 110.1 | K357 | K357-D361 IonicContact NZ-OD2 2.71Å; K357-D361 PolarHBondContact NZ-OD2 3.48Å | ||
| 362 | F | 54.5 | Low | 52.5 | Low | 204 Ų | 204 | 152.3 Ų | 152.3 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | trans | -139.5 | 11.4 | -167.1 | -104.1 | -72.9 | 0 | 0 | 0 | 114.5 | ||||
| 363 | L | 60.5 | Low | 52.5 | Low | 140 Ų | 140 | 157.5 Ų | 157.5 | 73% | 0.733 | 81% | 0.812 | S | S | * | * | trans | -122.9 | 2.3 | -172.5 | -67.3 | 175.4 | 0 | 0 | 0 | 115.2 | N365 | L363-N365 VanDerWaalsContact C-N 3.32Å; L363-N365 PolarHBondContact O-N 3.3Å | ||
| 364 | D | 60.9 | Low | 52.3 | Low | 157 Ų | 157 | 162.5 Ų | 162.5 | 84% | 0.84 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -88.4 | 15.5 | -175.4 | -107.4 | 31.6 | 0 | 0 | 0 | 114.5 | ||
| 365 | N | 47.6 | Very low | 52.5 | Low | 168 Ų | 168 | 163.5 Ų | 163.5 | 90% | 0.898 | 83% | 0.826 | S | S | * | * | trans | -142.5 | 67.7 | 178.4 | -81.1 | -77.1 | 0 | 0 | 0 | 112.9 | L363 | L363-N365 VanDerWaalsContact C-N 3.32Å; L363-N365 PolarHBondContact O-N 3.3Å | ||
| 366 | W | 45.3 | Very low | 53 | Low | 316 Ų | 316 | 163 Ų | 163 | 100% | 1.197 | 82% | 0.821 | S | S | * | * | trans | -138.4 | 0 | 158.1 | 171.1 | -79.3 | 0 | 0 | 0 | 109 |
Retrieved 366 of 366 residues in 62.9 ms
(Link to these results)