| 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 | 39.9 | Very low | 59.4 | Low | 244 Ų | 244 | 122.1 Ų | 122.1 | 100% | 1.202 | 74% | 0.741 | S | S | * | * | 0 | 122.4 | 0 | -67.4 | 163 | 71 | 0 | 0 | 106.9 | |||||
| 2 | S | 43.7 | Very low | 61.2 | Low | 127 Ų | 127 | 116.9 Ų | 116.9 | 89% | 0.888 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -92 | 116.3 | -177.1 | -50.6 | 0 | 0 | 0 | 0 | 109.3 | ||
| 3 | G | 50.6 | Low | 62.8 | Low | 63 Ų | 63 | 111.9 Ų | 111.9 | 65% | 0.649 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 140.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | S5 | G3-S5 PolarHBondContact O-N 3.43Š|
| 4 | P | 52.3 | Low | 64.5 | Low | 117 Ų | 117 | 111.4 Ų | 111.4 | 76% | 0.76 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 118.1 | 176.7 | 28.3 | -32.9 | 0 | 0 | 0 | 110.3 | F6 | P4-F6 PolarHBondContact O-N 2.92Š|
| 5 | S | 54 | Low | 66.1 | Low | 113 Ų | 113 | 110.6 Ų | 110.6 | 79% | 0.79 | 66% | 0.663 | S | S | * | * | trans | -66.6 | 100 | 171 | -60.9 | 0 | 0 | 0 | 0 | 109.8 | G3 T7 | G3-S5 PolarHBondContact O-N 3.43Å; S5-T7 PolarHBondContact O-N 3.42Å | ||
| 6 | F | 59.4 | Low | 67.6 | Low | 188 Ų | 188 | 109.8 Ų | 109.8 | 83% | 0.825 | 65% | 0.654 | S | S | * | * | trans | -79.2 | 68 | -179.3 | -131 | -80.9 | 0 | 0 | 0 | 111.1 | P4 | P4-F6 PolarHBondContact O-N 2.92Š| ||
| 7 | T | 62.1 | Low | 69 | Low | 116 Ų | 116 | 111.2 Ų | 111.2 | 71% | 0.712 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 122.4 | 166.3 | -48.3 | 0 | 0 | 0 | 0 | 107.7 | S5 | S5-T7 PolarHBondContact O-N 3.42Š|
| 8 | P | 64.5 | Low | 70.4 | Confident | 72 Ų | 72 | 110.2 Ų | 110.2 | 47% | 0.468 | 64% | 0.636 | S | S | . | * | P | Polyproline II helix | trans | -61.5 | 145.5 | 176.1 | 26.2 | -33.6 | 0 | 0 | 0 | 109.7 | V12 | P8-V12 HydrophobicContact CB-CB 4.48Å; P8-V12 HydrophobicContact CB-CG1 4.4Å |
| 9 | P | 75.9 | Confident | 71.6 | Confident | 78 Ų | 78 | 110.8 Ų | 110.8 | 51% | 0.506 | 63% | 0.632 | S | S | . | * | P | Polyproline II helix | trans | -53.5 | 144.9 | 174.5 | -24.6 | 33.3 | 0 | 0 | 0 | 111.1 | E11 V12 A13 | P9-E11 PolarHBondContact O-N 3.19Å; P9-V12 HydrophobicContact CB-CG2 4.13Å; P9-V12 HydrophobicContact CG-CG2 4.11Å; P9-V12 WeakPolarHBondContact O-CA 3.43Å; P9-V12 WeakPolarHBondContact O-CB 3.25Å; P9-V12 PolarHBondContact O-N 2.91Å; P9-A13 PolarHBondContact O-N 3.22Å |
| 10 | A | 75.3 | Confident | 72.7 | Confident | 83 Ų | 83 | 112.9 Ų | 112.9 | 69% | 0.686 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -55.2 | -38.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V12 A13 E14 | A10-V12 PolarHBondContact O-N 3Å; A10-A13 WeakPolarHBondContact O-CB 3.38Å; A10-A13 PolarHBondContact O-N 3.3Å; A10-E14 PolarHBondContact O-N 3.49Å |
| 11 | E | 75.4 | Confident | 73.7 | Confident | 142 Ų | 142 | 112.1 Ų | 112.1 | 66% | 0.664 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -56.8 | -42.4 | 172.1 | -177 | 177.7 | -163.8 | 0 | 0 | 112.9 | P9 E14 I15 | P9-E11 PolarHBondContact O-N 3.19Å; E11-E14 PolarHBondContact O-N 3.21Å; E11-I15 HydrophobicContact CG-CD1 4.04Å; E11-I15 WeakPolarHBondContact O-CB 3.47Å; E11-I15 WeakPolarHBondContact O-CD1 3.45Å; E11-I15 VanDerWaalsContact O-CG1 3.23Å; E11-I15 WeakPolarHBondContact O-CG1 3.17Å; E11-I15 PolarHBondContact O-N 2.91Å |
| 12 | V | 81.2 | Confident | 76.3 | Confident | 60 Ų | 60 | 105.8 Ų | 105.8 | 36% | 0.364 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -69.5 | -36.3 | 176.7 | 178.7 | 0 | 0 | 0 | 0 | 110.9 | P8 P9 A10 N16 | P8-V12 HydrophobicContact CB-CB 4.48Å; P8-V12 HydrophobicContact CB-CG1 4.4Å; P9-V12 HydrophobicContact CB-CG2 4.13Å; P9-V12 HydrophobicContact CG-CG2 4.11Å; P9-V12 WeakPolarHBondContact O-CA 3.43Å; P9-V12 WeakPolarHBondContact O-CB 3.25Å; P9-V12 PolarHBondContact O-N 2.91Å; A10-V12 PolarHBondContact O-N 3Å; V12-N16 WeakPolarHBondContact O-CB 3.33Å; V12-N16 PolarHBondContact O-N 3.49Å; V12-N16 VanDerWaalsContact O-N 3.11Å; V12-N16 PolarHBondContact O-ND2 2.91Å |
| 13 | A | 82.6 | Confident | 78.7 | Confident | 52 Ų | 52 | 105.4 Ų | 105.4 | 43% | 0.43 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.2 | -38.2 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | P9 A10 R17 | P9-A13 PolarHBondContact O-N 3.22Å; A10-A13 WeakPolarHBondContact O-CB 3.38Å; A10-A13 PolarHBondContact O-N 3.3Å; A13-R17 WeakPolarHBondContact O-CB 3.26Å; A13-R17 PolarHBondContact O-N 3.38Å |
| 14 | E | 85.8 | Confident | 80.8 | Confident | 105 Ų | 105 | 108.6 Ų | 108.6 | 49% | 0.491 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -69.6 | -42.8 | 176.6 | -178.5 | 152 | -130.6 | 0 | 0 | 112.7 | A10 E11 N16 R17 I18 | A10-E14 PolarHBondContact O-N 3.49Å; E11-E14 PolarHBondContact O-N 3.21Å; E14-N16 VanDerWaalsContact C-N 3.33Å; E14-N16 PolarHBondContact O-N 3.49Å; E14-R17 WeakPolarHBondContact O-CB 3.15Å; E14-R17 PolarHBondContact O-N 2.96Å; E14-R17 VanDerWaalsContact O-N 3.12Å; E14-R17 IonicContact OE1-NH2 3.62Å; E14-I18 HydrophobicContact CG-CD1 3.88Å; E14-I18 HydrophobicContact CG-CG1 4.46Å; E14-I18 WeakPolarHBondContact O-CG1 3.21Å; E14-I18 PolarHBondContact O-N 3.19Å |
| 15 | I | 89.1 | Confident | 82.8 | Confident | 99 Ų | 99 | 106.7 Ų | 106.7 | 51% | 0.508 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -57.9 | -45.3 | 173.1 | -70.4 | 162.2 | 0 | 0 | 0 | 110.8 | E11 R17 I18 H19 | E11-I15 HydrophobicContact CG-CD1 4.04Å; E11-I15 WeakPolarHBondContact O-CB 3.47Å; E11-I15 WeakPolarHBondContact O-CD1 3.45Å; E11-I15 VanDerWaalsContact O-CG1 3.23Å; E11-I15 WeakPolarHBondContact O-CG1 3.17Å; E11-I15 PolarHBondContact O-N 2.91Å; I15-R17 VanDerWaalsContact C-N 3.35Å; I15-R17 PolarHBondContact O-N 2.89Å; I15-I18 PolarHBondContact O-N 3.48Å; I15-H19 WeakPolarHBondContact O-CB 3.34Å; I15-H19 PolarHBondContact O-N 2.98Å |
| 16 | N | 89.6 | Confident | 84.6 | Confident | 98 Ų | 98 | 106.2 Ų | 106.2 | 52% | 0.524 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.3 | -37.8 | 175.7 | -77.5 | -62.4 | 0 | 0 | 0 | 112.3 | V12 E14 H19 Y20 | V12-N16 WeakPolarHBondContact O-CB 3.33Å; V12-N16 PolarHBondContact O-N 3.49Å; V12-N16 VanDerWaalsContact O-N 3.11Å; V12-N16 PolarHBondContact O-ND2 2.91Å; E14-N16 VanDerWaalsContact C-N 3.33Å; E14-N16 PolarHBondContact O-N 3.49Å; N16-H19 PolarHBondContact O-N 3.46Å; N16-Y20 WeakPolarHBondContact O-CB 3.34Å; N16-Y20 PolarHBondContact O-N 2.88Å |
| 17 | R | 91.6 | Very high | 86.2 | Confident | 133 Ų | 133 | 98.1 Ų | 98.1 | 50% | 0.502 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.2 | -48.2 | 174.8 | -171.5 | -179.8 | 75 | 86.2 | -6.2 | 111.4 | A13 E14 I15 H19 Y20 E21 | A13-R17 WeakPolarHBondContact O-CB 3.26Å; A13-R17 PolarHBondContact O-N 3.38Å; E14-R17 WeakPolarHBondContact O-CB 3.15Å; E14-R17 PolarHBondContact O-N 2.96Å; E14-R17 VanDerWaalsContact O-N 3.12Å; E14-R17 IonicContact OE1-NH2 3.62Å; I15-R17 VanDerWaalsContact C-N 3.35Å; I15-R17 PolarHBondContact O-N 2.89Å; R17-H19 VanDerWaalsContact C-N 3.34Å; R17-H19 PolarHBondContact O-N 3.36Å; R17-Y20 PolarHBondContact O-N 3.37Å; R17-E21 IonicContact CZ-OE2 2.96Å; R17-E21 IonicContact NH1-OE2 3.89Å; R17-E21 PolarHBondContact NH1-OE2 2.9Å; R17-E21 VanDerWaalsContact O-CB 3.29Å; R17-E21 WeakPolarHBondContact O-CB 3.33Å; R17-E21 PolarHBondContact O-N 2.9Å |
| 18 | I | 93.3 | Very high | 87.7 | Confident | 94 Ų | 94 | 95.4 Ų | 95.4 | 48% | 0.482 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 179.2 | -66.9 | 164 | 0 | 0 | 0 | 110.7 | E14 I15 E21 L22 | E14-I18 HydrophobicContact CG-CD1 3.88Å; E14-I18 HydrophobicContact CG-CG1 4.46Å; E14-I18 WeakPolarHBondContact O-CG1 3.21Å; E14-I18 PolarHBondContact O-N 3.19Å; I15-I18 PolarHBondContact O-N 3.48Å; I18-E21 PolarHBondContact O-N 3.46Å; I18-L22 WeakPolarHBondContact O-CB 3.36Å; I18-L22 PolarHBondContact O-N 3.09Å |
| 19 | H | 93.6 | Very high | 88.8 | Confident | 122 Ų | 122 | 94.8 Ų | 94.8 | 57% | 0.565 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.9 | -45.4 | 177.6 | -171.3 | 47.2 | 0 | 0 | 0 | 112.1 | I15 N16 R17 L22 E23 | I15-H19 WeakPolarHBondContact O-CB 3.34Å; I15-H19 PolarHBondContact O-N 2.98Å; N16-H19 PolarHBondContact O-N 3.46Å; R17-H19 VanDerWaalsContact C-N 3.34Å; R17-H19 PolarHBondContact O-N 3.36Å; H19-L22 PolarHBondContact O-N 2.91Å; H19-E23 PolarHBondContact O-N 3.07Å |
| 20 | Y | 94.3 | Very high | 89.4 | Confident | 152 Ų | 152 | 96.2 Ų | 96.2 | 60% | 0.596 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.9 | -42.7 | 174.6 | 179.2 | -92 | 0 | 0 | 0 | 112.4 | N16 R17 L22 E23 Y24 | N16-Y20 WeakPolarHBondContact O-CB 3.34Å; N16-Y20 PolarHBondContact O-N 2.88Å; R17-Y20 PolarHBondContact O-N 3.37Å; Y20-L22 VanDerWaalsContact C-N 3.32Å; Y20-L22 PolarHBondContact O-N 3.41Å; Y20-E23 PolarHBondContact O-N 3.17Å; Y20-Y24 WeakPolarHBondContact O-CB 3.47Å; Y20-Y24 PolarHBondContact O-N 3.41Å |
| 21 | E | 94.1 | Very high | 89.9 | Confident | 97 Ų | 97 | 102.1 Ų | 102.1 | 45% | 0.453 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65 | -36 | 179.1 | -164.8 | 171.9 | 146.8 | 0 | 0 | 111.7 | R17 I18 T25 | R17-E21 IonicContact CZ-OE2 2.96Å; R17-E21 IonicContact NH1-OE2 3.89Å; R17-E21 PolarHBondContact NH1-OE2 2.9Å; R17-E21 VanDerWaalsContact O-CB 3.29Å; R17-E21 WeakPolarHBondContact O-CB 3.33Å; R17-E21 PolarHBondContact O-N 2.9Å; I18-E21 PolarHBondContact O-N 3.46Å; E21-T25 WeakPolarHBondContact O-CB 3.5Å; E21-T25 WeakPolarHBondContact O-CG2 3.36Å; E21-T25 PolarHBondContact O-N 2.94Å; E21-T25 PolarHBondContact O-OG1 3.38Å |
| 22 | L | 93.9 | Very high | 90.6 | Very high | 111 Ų | 111 | 101.8 Ų | 101.8 | 58% | 0.581 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -68.8 | -48.9 | 174 | -172.8 | 65.1 | 0 | 0 | 0 | 112.3 | I18 H19 Y20 Y24 T25 E26 | I18-L22 WeakPolarHBondContact O-CB 3.36Å; I18-L22 PolarHBondContact O-N 3.09Å; H19-L22 PolarHBondContact O-N 2.91Å; Y20-L22 VanDerWaalsContact C-N 3.32Å; Y20-L22 PolarHBondContact O-N 3.41Å; L22-Y24 VanDerWaalsContact C-N 3.32Å; L22-Y24 PolarHBondContact O-N 2.87Å; L22-T25 PolarHBondContact O-N 3.35Å; L22-T25 PolarHBondContact O-OG1 3.45Å; L22-T25 VanDerWaalsContact O-OG1 3.1Å; L22-E26 WeakPolarHBondContact O-CB 3.4Å; L22-E26 PolarHBondContact O-N 3.15Å |
| 23 | E | 94.1 | Very high | 90.7 | Very high | 119 Ų | 119 | 107.8 Ų | 107.8 | 56% | 0.556 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.4 | -39.1 | 176.6 | -171 | -173.8 | 179.4 | 0 | 0 | 111.5 | H19 Y20 G27 | H19-E23 PolarHBondContact O-N 3.07Å; Y20-E23 PolarHBondContact O-N 3.17Å; E23-G27 WeakPolarHBondContact O-CA 3.49Å; E23-G27 PolarHBondContact O-N 2.98Å |
| 24 | Y | 94.4 | Very high | 90.7 | Very high | 130 Ų | 130 | 111.9 Ų | 111.9 | 51% | 0.51 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.5 | -45.8 | 178.2 | 178.7 | -100.5 | 0 | 0 | 0 | 112.1 | Y20 L22 I28 | Y20-Y24 WeakPolarHBondContact O-CB 3.47Å; Y20-Y24 PolarHBondContact O-N 3.41Å; L22-Y24 VanDerWaalsContact C-N 3.32Å; L22-Y24 PolarHBondContact O-N 2.87Å; Y24-I28 HydrophobicContact CD1-CD1 4.13Å; Y24-I28 HydrophobicContact CD2-CD1 4.36Å; Y24-I28 HydrophobicContact CE1-CD1 3.57Å; Y24-I28 HydrophobicContact CE2-CD1 3.83Å; Y24-I28 HydrophobicContact CG-CD1 4.5Å; Y24-I28 VanDerWaalsContact CZ-CD1 3.4Å; Y24-I28 WeakPolarHBondContact O-CB 3.43Å; Y24-I28 WeakPolarHBondContact O-CG1 3.45Å; Y24-I28 PolarHBondContact O-N 3.2Å |
| 25 | T | 93.9 | Very high | 90.7 | Very high | 76 Ų | 76 | 110.9 Ų | 110.9 | 47% | 0.466 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.9 | -42.1 | 178 | 49.1 | 0 | 0 | 0 | 0 | 112.2 | E21 L22 S29 | E21-T25 WeakPolarHBondContact O-CB 3.5Å; E21-T25 WeakPolarHBondContact O-CG2 3.36Å; E21-T25 PolarHBondContact O-N 2.94Å; E21-T25 PolarHBondContact O-OG1 3.38Å; L22-T25 PolarHBondContact O-N 3.35Å; L22-T25 PolarHBondContact O-OG1 3.45Å; L22-T25 VanDerWaalsContact O-OG1 3.1Å; T25-S29 VanDerWaalsContact O-CB 3.3Å; T25-S29 WeakPolarHBondContact O-CB 3.34Å; T25-S29 PolarHBondContact O-N 2.95Å; T25-S29 PolarHBondContact O-OG 3.15Å |
| 26 | E | 93.1 | Very high | 90.2 | Very high | 103 Ų | 103 | 115.3 Ų | 115.3 | 48% | 0.481 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.4 | -51 | 172.3 | -177.5 | 176 | -168.8 | 0 | 0 | 111.1 | L22 I28 S29 Q30 | L22-E26 WeakPolarHBondContact O-CB 3.4Å; L22-E26 PolarHBondContact O-N 3.15Å; E26-I28 VanDerWaalsContact C-N 3.34Å; E26-I28 PolarHBondContact O-N 3.1Å; E26-S29 PolarHBondContact O-N 2.69Å; E26-S29 PolarHBondContact O-OG 2.82Å; E26-Q30 HydrophobicContact CG-CG 4.46Å; E26-Q30 PolarHBondContact O-N 3.11Å; E26-Q30 PolarHBondContact OE1-NE2 3.49Å |
| 27 | G | 93.2 | Very high | 89.7 | Confident | 18 Ų | 18 | 115.5 Ų | 115.5 | 19% | 0.186 | 55% | 0.549 | C | S | . | . | H | α-helix | trans | -57.5 | -43.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E23 R31 | E23-G27 WeakPolarHBondContact O-CA 3.49Å; E23-G27 PolarHBondContact O-N 2.98Å; G27-R31 WeakPolarHBondContact O-CB 3.48Å; G27-R31 WeakPolarHBondContact O-CG 3.32Å; G27-R31 PolarHBondContact O-N 2.96Å |
| 28 | I | 92.1 | Very high | 88.8 | Confident | 59 Ų | 59 | 115.6 Ų | 115.6 | 30% | 0.303 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.4 | -48.4 | 171.9 | -73.9 | 178.6 | 0 | 0 | 0 | 111 | Y24 E26 Q30 R31 M32 | Y24-I28 HydrophobicContact CD1-CD1 4.13Å; Y24-I28 HydrophobicContact CD2-CD1 4.36Å; Y24-I28 HydrophobicContact CE1-CD1 3.57Å; Y24-I28 HydrophobicContact CE2-CD1 3.83Å; Y24-I28 HydrophobicContact CG-CD1 4.5Å; Y24-I28 VanDerWaalsContact CZ-CD1 3.4Å; Y24-I28 WeakPolarHBondContact O-CB 3.43Å; Y24-I28 WeakPolarHBondContact O-CG1 3.45Å; Y24-I28 PolarHBondContact O-N 3.2Å; E26-I28 VanDerWaalsContact C-N 3.34Å; E26-I28 PolarHBondContact O-N 3.1Å; I28-Q30 PolarHBondContact O-N 3.28Å; I28-Q30 VanDerWaalsContact O-N 3.11Å; I28-R31 PolarHBondContact O-N 3.33Å; I28-M32 HydrophobicContact CB-CE 4.44Å; I28-M32 HydrophobicContact CD1-CE 4.15Å; I28-M32 HydrophobicContact CG1-CE 4Å; I28-M32 HydrophobicContact CG2-CB 4.39Å; I28-M32 HydrophobicContact CG2-CE 3.78Å; I28-M32 HydrophobicContact CG2-CG 4.49Å; I28-M32 PolarHBondContact O-N 3.36Å |
| 29 | S | 89 | Confident | 87.9 | Confident | 59 Ų | 59 | 120 Ų | 120 | 41% | 0.413 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61.7 | -21.9 | -176.6 | 81.1 | 0 | 0 | 0 | 0 | 114.1 | T25 E26 R33 | T25-S29 VanDerWaalsContact O-CB 3.3Å; T25-S29 WeakPolarHBondContact O-CB 3.34Å; T25-S29 PolarHBondContact O-N 2.95Å; T25-S29 PolarHBondContact O-OG 3.15Å; E26-S29 PolarHBondContact O-N 2.69Å; E26-S29 PolarHBondContact O-OG 2.82Å; S29-R33 PolarHBondContact O-NE 3.02Å; S29-R33 PolarHBondContact O-NH2 3.01Å |
| 30 | Q | 88.5 | Confident | 86.5 | Confident | 108 Ų | 108 | 120.5 Ų | 120.5 | 51% | 0.505 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -100.5 | -44.5 | 177.3 | -65.4 | -179.1 | 18.5 | 0 | 0 | 112.6 | E26 I28 | E26-Q30 HydrophobicContact CG-CG 4.46Å; E26-Q30 PolarHBondContact O-N 3.11Å; E26-Q30 PolarHBondContact OE1-NE2 3.49Å; I28-Q30 PolarHBondContact O-N 3.28Å; I28-Q30 VanDerWaalsContact O-N 3.11Å |
| 31 | R | 86.1 | Confident | 84.4 | Confident | 207 Ų | 207 | 117.9 Ų | 117.9 | 78% | 0.781 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -93.4 | -19.8 | -168.4 | -55.5 | 179.5 | -172.5 | 173.9 | 7 | 114.3 | G27 I28 | G27-R31 WeakPolarHBondContact O-CB 3.48Å; G27-R31 WeakPolarHBondContact O-CG 3.32Å; G27-R31 PolarHBondContact O-N 2.96Å; I28-R31 PolarHBondContact O-N 3.33Å |
| 32 | M | 88.6 | Confident | 82.9 | Confident | 136 Ų | 136 | 120.6 Ų | 120.6 | 67% | 0.67 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -102.6 | 30.4 | 178.4 | -56.4 | -142.8 | -55.9 | 0 | 0 | 113.3 | I28 | I28-M32 HydrophobicContact CB-CE 4.44Å; I28-M32 HydrophobicContact CD1-CE 4.15Å; I28-M32 HydrophobicContact CG1-CE 4Å; I28-M32 HydrophobicContact CG2-CB 4.39Å; I28-M32 HydrophobicContact CG2-CE 3.78Å; I28-M32 HydrophobicContact CG2-CG 4.49Å; I28-M32 PolarHBondContact O-N 3.36Å |
| 33 | R | 83.8 | Confident | 80.7 | Confident | 186 Ų | 186 | 123.3 Ų | 123.3 | 70% | 0.702 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 126 | 172.8 | -64.5 | -169.5 | -172.8 | -170.3 | 4.1 | 110.7 | S29 | S29-R33 PolarHBondContact O-NE 3.02Å; S29-R33 PolarHBondContact O-NH2 3.01Å |
| 34 | I | 83.5 | Confident | 78.2 | Confident | 137 Ų | 137 | 124 Ų | 124 | 70% | 0.703 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 132.6 | 170.6 | -57.4 | 174.4 | 0 | 0 | 0 | 107.9 | ||
| 35 | P | 84.4 | Confident | 75.6 | Confident | 84 Ų | 84 | 120.7 Ų | 120.7 | 55% | 0.545 | 65% | 0.645 | S | S | . | * | P | Polyproline II helix | trans | -64 | 135.4 | 177 | -23.1 | 34.1 | 0 | 0 | 0 | 112.7 | T37 | P35-T37 PolarHBondContact O-N 3.26Š|
| 36 | E | 78.3 | Confident | 73 | Confident | 192 Ų | 192 | 123.1 Ų | 123.1 | 90% | 0.897 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -55.3 | -23 | 179.7 | -58.7 | -62.4 | 153.6 | 0 | 0 | 114.3 | ||
| 37 | T | 79 | Confident | 70.1 | Confident | 102 Ų | 102 | 121.7 Ų | 121.7 | 63% | 0.626 | 68% | 0.678 | S | S | * | * | trans | -136.6 | 118 | 171.9 | 55 | 0 | 0 | 0 | 0 | 111.2 | P35 K39 | P35-T37 PolarHBondContact O-N 3.26Å; T37-K39 PolarHBondContact O-N 2.87Å | ||
| 38 | L | 73.2 | Confident | 68.3 | Low | 135 Ų | 135 | 126.8 Ų | 126.8 | 71% | 0.707 | 71% | 0.708 | S | S | * | * | trans | -84.5 | 94.5 | 167.5 | -62.7 | -178.4 | 0 | 0 | 0 | 108.8 | V40 | L38-V40 PolarHBondContact O-N 3.3Š| ||
| 39 | K | 75.1 | Confident | 65.6 | Low | 187 Ų | 187 | 131 Ų | 131 | 81% | 0.813 | 74% | 0.736 | S | S | * | * | trans | -71.8 | 94.8 | 174.6 | -70.8 | -172.4 | 177.3 | -176.2 | 0 | 110.4 | T37 A41 | T37-K39 PolarHBondContact O-N 2.87Å; K39-A41 PolarHBondContact O-N 3.42Å | ||
| 40 | V | 64 | Low | 63.4 | Low | 133 Ų | 133 | 135.5 Ų | 135.5 | 81% | 0.806 | 76% | 0.755 | S | S | * | * | trans | -64.8 | 115.8 | 162.3 | -179 | 0 | 0 | 0 | 0 | 107.4 | L38 L42 | L38-V40 PolarHBondContact O-N 3.3Å; V40-L42 PolarHBondContact O-N 2.76Å | ||
| 41 | A | 50.5 | Low | 61.4 | Low | 96 Ų | 96 | 138 Ų | 138 | 79% | 0.793 | 77% | 0.771 | S | S | * | * | trans | -76.7 | 107.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | K39 | K39-A41 PolarHBondContact O-N 3.42Š| ||
| 42 | L | 62 | Low | 59.2 | Low | 154 Ų | 154 | 137.3 Ų | 137.3 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | trans | -98.9 | 170.5 | 151.6 | -120.3 | 75.9 | 0 | 0 | 0 | 109.2 | V40 | V40-L42 PolarHBondContact O-N 2.76Š| ||
| 43 | E | 48 | Very low | 57 | Low | 168 Ų | 168 | 135.8 Ų | 135.8 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | trans | 72.9 | 84.5 | 169.9 | -56.9 | -91.6 | 62 | 0 | 0 | 116.2 | G45 | E43-G45 VanDerWaalsContact C-N 3.26Å; E43-G45 PolarHBondContact O-N 3.11Å | ||
| 44 | S | 41.3 | Very low | 55 | Low | 135 Ų | 135 | 133 Ų | 133 | 94% | 0.944 | 78% | 0.783 | S | S | * | * | trans | -79.1 | 78.8 | 143.4 | 58.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 45 | G | 40.4 | Very low | 53.2 | Low | 59 Ų | 59 | 133.7 Ų | 133.7 | 61% | 0.608 | 79% | 0.787 | S | S | * | * | trans | -155.2 | 142.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112 | E43 | E43-G45 VanDerWaalsContact C-N 3.26Å; E43-G45 PolarHBondContact O-N 3.11Å | ||
| 46 | S | 38.4 | Very low | 51.5 | Low | 127 Ų | 127 | 134.1 Ų | 134.1 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | trans | -117.1 | 134.2 | -170.2 | 55 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 47 | G | 33.6 | Very low | 50 | Low | 73 Ų | 73 | 131.5 Ų | 131.5 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | trans | 144 | 133.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 48 | P | 55.5 | Low | 48.6 | Very low | 126 Ų | 126 | 134.3 Ų | 134.3 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -97.6 | 141.6 | 176.8 | 35.8 | -31.9 | 0 | 0 | 0 | 113.2 | ||||
| 49 | T | 33.7 | Very low | 47.6 | Very low | 146 Ų | 146 | 132.6 Ų | 132.6 | 90% | 0.896 | 79% | 0.788 | S | S | * | * | trans | -160.5 | 151.1 | 151.8 | -79.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 50 | L | 44 | Very low | 46.7 | Very low | 154 Ų | 154 | 130 Ų | 130 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | trans | -89.4 | 167.1 | -174.7 | -75.7 | 168.6 | 0 | 0 | 0 | 113.9 | ||||
| 51 | L | 46.3 | Very low | 46.3 | Very low | 160 Ų | 160 | 129.5 Ų | 129.5 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | trans | 71.1 | 105.5 | 164.4 | -54.7 | -178.5 | 0 | 0 | 0 | 118 | ||||
| 52 | Q | 40.3 | Very low | 46.5 | Very low | 193 Ų | 193 | 132.6 Ų | 132.6 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | trans | -155.6 | 160.9 | 136.2 | -109.8 | 171.9 | 97.9 | 0 | 0 | 109.8 | ||||
| 53 | P | 42.8 | Very low | 46.6 | Very low | 104 Ų | 104 | 133.1 Ų | 133.1 | 68% | 0.675 | 78% | 0.778 | S | S | * | * | trans | -75.7 | 165.4 | -168.6 | 31.6 | -35 | 0 | 0 | 0 | 113 | L55 | P53-L55 PolarHBondContact O-N 2.88Š| ||
| 54 | P | 41.3 | Very low | 47.3 | Very low | 129 Ų | 129 | 130.5 Ų | 130.5 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | trans | -67.2 | 103.5 | -175.1 | 27.1 | -35.5 | 0 | 0 | 0 | 112.2 | ||||
| 55 | L | 46 | Very low | 49 | Very low | 151 Ų | 151 | 128.3 Ų | 128.3 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | trans | -55.9 | 139.3 | 155.6 | -79.7 | 160.1 | 0 | 0 | 0 | 108.7 | P53 V57 | P53-L55 PolarHBondContact O-N 2.88Å; L55-V57 PolarHBondContact O-N 3.17Å | ||
| 56 | P | 47.2 | Very low | 50.5 | Low | 93 Ų | 93 | 134.4 Ų | 134.4 | 60% | 0.604 | 77% | 0.768 | S | S | * | * | trans | -60.6 | 136.1 | -180 | 26.6 | -34 | 0 | 0 | 0 | 109.3 | H58 | P56-H58 PolarHBondContact O-N 3.17Š| ||
| 57 | V | 48.3 | Very low | 52.1 | Low | 136 Ų | 136 | 137 Ų | 137 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | trans | -58.6 | 108.9 | 173.7 | -123.1 | 0 | 0 | 0 | 0 | 107.7 | L55 T59 | L55-V57 PolarHBondContact O-N 3.17Å; V57-T59 PolarHBondContact O-N 3.09Å | ||
| 58 | H | 49.3 | Very low | 53.7 | Low | 161 Ų | 161 | 140.9 Ų | 140.9 | 75% | 0.745 | 76% | 0.761 | S | S | * | * | trans | -68.7 | 81.2 | 168.3 | -70.3 | -77.6 | 0 | 0 | 0 | 107.7 | P56 T60 | P56-H58 PolarHBondContact O-N 3.17Å; H58-T60 PolarHBondContact O-N 3.01Å | ||
| 59 | T | 50.7 | Low | 54.3 | Low | 99 Ų | 99 | 140.3 Ų | 140.3 | 61% | 0.607 | 76% | 0.755 | S | S | * | * | trans | -48.6 | 128.1 | 159.6 | 47.1 | 0 | 0 | 0 | 0 | 106.8 | V57 L61 | V57-T59 PolarHBondContact O-N 3.09Å; T59-L61 PolarHBondContact O-N 3.08Å | ||
| 60 | T | 56.2 | Low | 56 | Low | 132 Ų | 132 | 139.4 Ų | 139.4 | 81% | 0.81 | 75% | 0.749 | S | S | * | * | trans | -73.7 | 71.7 | 178.5 | -46.5 | 0 | 0 | 0 | 0 | 108.9 | H58 M62 | H58-T60 PolarHBondContact O-N 3.01Å; T60-M62 PolarHBondContact O-N 3.49Å; T60-M62 VanDerWaalsContact O-N 3.14Å | ||
| 61 | L | 55.8 | Low | 56.6 | Low | 123 Ų | 123 | 136.9 Ų | 136.9 | 64% | 0.644 | 75% | 0.75 | S | S | * | * | trans | -58.6 | 116.3 | 164.1 | -59 | -176.9 | 0 | 0 | 0 | 105.8 | T59 Q63 | T59-L61 PolarHBondContact O-N 3.08Å; L61-Q63 PolarHBondContact O-N 3.2Å | ||
| 62 | M | 54.4 | Low | 56.4 | Low | 162 Ų | 162 | 132.5 Ų | 132.5 | 80% | 0.798 | 74% | 0.743 | S | S | * | * | trans | -65.7 | 85.6 | 174.7 | -76.6 | -77.5 | -74.2 | 0 | 0 | 108.2 | T60 V64 | T60-M62 PolarHBondContact O-N 3.49Å; T60-M62 VanDerWaalsContact O-N 3.14Å; M62-V64 PolarHBondContact O-N 2.89Å | ||
| 63 | Q | 64.2 | Low | 56.7 | Low | 165 Ų | 165 | 130.8 Ų | 130.8 | 77% | 0.771 | 74% | 0.741 | S | S | * | * | trans | -74.4 | 71.6 | -175.8 | -167.1 | 82.4 | 53.9 | 0 | 0 | 109.5 | L61 P65 | L61-Q63 PolarHBondContact O-N 3.2Å; Q63-P65 VanDerWaalsContact O-CD 3.23Å; Q63-P65 WeakPolarHBondContact O-CD 3.17Å | ||
| 64 | V | 64.4 | Low | 57.3 | Low | 112 Ų | 112 | 133.5 Ų | 133.5 | 68% | 0.679 | 75% | 0.75 | S | S | * | * | trans | -60 | 117.7 | 172.3 | -179.5 | 0 | 0 | 0 | 0 | 107.9 | M62 | M62-V64 PolarHBondContact O-N 2.89Š| ||
| 65 | P | 76.4 | Confident | 57.8 | Low | 89 Ų | 89 | 130.7 Ų | 130.7 | 58% | 0.578 | 74% | 0.744 | S | S | * | * | trans | -68 | 135.3 | 177.6 | -18.9 | 33.1 | 0 | 0 | 0 | 110.1 | Q63 R67 | Q63-P65 VanDerWaalsContact O-CD 3.23Å; Q63-P65 WeakPolarHBondContact O-CD 3.17Å; P65-R67 PolarHBondContact O-N 2.94Å | ||
| 66 | E | 71.7 | Confident | 57.6 | Low | 187 Ų | 187 | 130.7 Ų | 130.7 | 87% | 0.874 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -63 | -13.4 | 179.2 | -61.9 | -175.5 | 149.8 | 0 | 0 | 113.7 | ||
| 67 | R | 72.4 | Confident | 57.8 | Low | 183 Ų | 183 | 131.2 Ų | 131.2 | 69% | 0.691 | 75% | 0.745 | S | S | * | * | trans | -155 | 137.3 | 170.2 | 55.5 | -171.3 | 172.5 | -78.7 | -0.1 | 110.6 | P65 V69 | P65-R67 PolarHBondContact O-N 2.94Å; R67-V69 HydrophobicContact CG-CG2 4.37Å | ||
| 68 | I | 66.3 | Low | 57.6 | Low | 153 Ų | 153 | 134.1 Ų | 134.1 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | trans | -88.8 | 111.4 | 167.8 | -58.4 | 174.6 | 0 | 0 | 0 | 106.9 | ||||
| 69 | V | 68.3 | Low | 57.7 | Low | 115 Ų | 115 | 135.4 Ų | 135.4 | 70% | 0.697 | 75% | 0.745 | S | S | * | * | trans | -86.4 | 115.2 | 173.6 | -178.7 | 0 | 0 | 0 | 0 | 108.1 | R67 A71 | R67-V69 HydrophobicContact CG-CG2 4.37Å; V69-A71 PolarHBondContact O-N 2.91Å | ||
| 70 | V | 69.6 | Low | 57.6 | Low | 126 Ų | 126 | 137.1 Ų | 137.1 | 76% | 0.764 | 76% | 0.755 | S | S | * | * | trans | -72.7 | 120.1 | 168.6 | 179.7 | 0 | 0 | 0 | 0 | 107.7 | G72 | V70-G72 PolarHBondContact O-N 3.12Å; V70-G72 VanDerWaalsContact O-N 3.09Å | ||
| 71 | A | 56.4 | Low | 57.4 | Low | 101 Ų | 101 | 137.6 Ų | 137.6 | 84% | 0.835 | 75% | 0.749 | S | S | * | * | trans | -71.7 | 100.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109 | V69 | V69-A71 PolarHBondContact O-N 2.91Š| ||
| 72 | G | 43.2 | Very low | 56.9 | Low | 68 Ų | 68 | 135.9 Ų | 135.9 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | trans | -84.5 | 146.8 | 172 | 0 | 0 | 0 | 0 | 0 | 111.8 | V70 | V70-G72 PolarHBondContact O-N 3.12Å; V70-G72 VanDerWaalsContact O-N 3.09Å | ||
| 73 | D | 45.4 | Very low | 56.9 | Low | 158 Ų | 158 | 138.2 Ų | 138.2 | 85% | 0.845 | 75% | 0.745 | S | S | * | * | trans | -57.6 | 153.4 | 178.7 | -151.1 | 38.3 | 0 | 0 | 0 | 112.8 | G75 | D73-G75 PolarHBondContact O-N 3.24Š| ||
| 74 | D | 56.6 | Low | 56.3 | Low | 161 Ų | 161 | 136.4 Ų | 136.4 | 86% | 0.861 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -76.1 | 105.4 | -171.6 | 46.4 | -71.9 | 0 | 0 | 0 | 114.7 | ||
| 75 | G | 50.7 | Low | 55.9 | Low | 70 Ų | 70 | 137.1 Ų | 137.1 | 72% | 0.722 | 74% | 0.739 | S | S | * | * | trans | -166.5 | 124.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | D73 | D73-G75 PolarHBondContact O-N 3.24Š| ||
| 76 | E | 42.4 | Very low | 54.7 | Low | 151 Ų | 151 | 138.1 Ų | 138.1 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | trans | 38.5 | 88.4 | 171.6 | -70.1 | -157.6 | -162.3 | 0 | 0 | 118.3 | R78 | E76-R78 PolarHBondContact O-N 2.89Å; E76-R78 IonicContact OE2-CZ 3.66Å; E76-R78 IonicContact OE2-NE 3.43Å; E76-R78 PolarHBondContact OE2-NE 3.4Å; E76-R78 IonicContact OE2-NH2 2.64Å; E76-R78 PolarHBondContact OE2-NH2 2.81Å | ||
| 77 | S | 51 | Low | 53.7 | Low | 103 Ų | 103 | 135.2 Ų | 135.2 | 72% | 0.72 | 73% | 0.73 | S | S | * | * | trans | -66.7 | 84.8 | 169.2 | 61.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 78 | R | 45.2 | Very low | 52.7 | Low | 197 Ų | 197 | 133.1 Ų | 133.1 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | trans | -103.8 | 98.5 | 156.7 | -59.8 | -171.5 | -153.4 | -161.9 | 7 | 108.5 | E76 V80 | E76-R78 PolarHBondContact O-N 2.89Å; E76-R78 IonicContact OE2-CZ 3.66Å; E76-R78 IonicContact OE2-NE 3.43Å; E76-R78 PolarHBondContact OE2-NE 3.4Å; E76-R78 IonicContact OE2-NH2 2.64Å; E76-R78 PolarHBondContact OE2-NH2 2.81Å; R78-V80 PolarHBondContact O-N 3.12Å | ||
| 79 | F | 50.6 | Low | 52 | Low | 188 Ų | 188 | 134.9 Ų | 134.9 | 83% | 0.825 | 74% | 0.736 | S | S | * | * | trans | -64 | 92.2 | -178.8 | -70.4 | -87.9 | 0 | 0 | 0 | 111.5 | Q81 | F79-Q81 PolarHBondContact O-N 2.85Š| ||
| 80 | V | 47.8 | Very low | 51.1 | Low | 135 Ų | 135 | 133.2 Ų | 133.2 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | trans | -73.7 | 79.2 | 158.6 | -176 | 0 | 0 | 0 | 0 | 107.1 | R78 P82 | R78-V80 PolarHBondContact O-N 3.12Å; V80-P82 WeakPolarHBondContact O-CD 3.14Å | ||
| 81 | Q | 53.8 | Low | 50 | Low | 143 Ų | 143 | 132.8 Ų | 132.8 | 67% | 0.668 | 73% | 0.727 | S | S | * | * | trans | -57.3 | 123 | 168.2 | 177.7 | 178 | -14.8 | 0 | 0 | 108.3 | F79 R83 | F79-Q81 PolarHBondContact O-N 2.85Å; Q81-R83 PolarHBondContact O-N 3.36Å | ||
| 82 | P | 45.4 | Very low | 49.6 | Very low | 86 Ų | 86 | 133 Ų | 133 | 56% | 0.558 | 72% | 0.72 | S | S | * | * | trans | -58.2 | 123.8 | 174.8 | -23.6 | 34.3 | 0 | 0 | 0 | 109.6 | V80 D84 | V80-P82 WeakPolarHBondContact O-CD 3.14Å; P82-D84 PolarHBondContact O-N 2.84Å | ||
| 83 | R | 53.9 | Low | 50.2 | Low | 212 Ų | 212 | 135.8 Ų | 135.8 | 80% | 0.8 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | 26.9 | -174.6 | -86.2 | -171 | 164.9 | -127.2 | -2.1 | 113.5 | Q81 | Q81-R83 PolarHBondContact O-N 3.36Š|
| 84 | D | 51.5 | Low | 50.2 | Low | 126 Ų | 126 | 133.7 Ų | 133.7 | 67% | 0.674 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | -2.9 | -166 | -53.6 | -38.7 | 0 | 0 | 0 | 113.4 | P82 | P82-D84 PolarHBondContact O-N 2.84Š|
| 85 | L | 54.6 | Low | 49.9 | Very low | 127 Ų | 127 | 132.9 Ų | 132.9 | 67% | 0.665 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -96.7 | -23.8 | 176.9 | -81.8 | 87 | 0 | 0 | 0 | 114.5 | L87 I88 | L85-L87 PolarHBondContact O-N 2.96Å; L85-I88 PolarHBondContact O-N 3.49Å |
| 86 | D | 52 | Low | 50.1 | Low | 110 Ų | 110 | 137 Ų | 137 | 59% | 0.588 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -65.9 | -26.2 | -179 | -68.2 | -16.6 | 0 | 0 | 0 | 112.3 | I88 Q89 | D86-I88 PolarHBondContact O-N 3.48Å; D86-Q89 PolarHBondContact O-N 3.39Å |
| 87 | L | 50.6 | Low | 50.4 | Low | 127 Ų | 127 | 137 Ų | 137 | 67% | 0.665 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -68 | -17.3 | -179.8 | -115.2 | 70.4 | 0 | 0 | 0 | 114.2 | L85 Q89 | L85-L87 PolarHBondContact O-N 2.96Å; L87-Q89 VanDerWaalsContact C-N 3.25Å; L87-Q89 PolarHBondContact O-N 3.49Å |
| 88 | I | 50.8 | Low | 50.9 | Low | 139 Ų | 139 | 138.3 Ų | 138.3 | 71% | 0.713 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -72.3 | -22.9 | -179.5 | -56 | 177.8 | 0 | 0 | 0 | 110.9 | L85 D86 | L85-I88 PolarHBondContact O-N 3.49Å; D86-I88 PolarHBondContact O-N 3.48Å |
| 89 | Q | 53 | Low | 51.2 | Low | 189 Ų | 189 | 136.5 Ų | 136.5 | 88% | 0.883 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -100.3 | 2.5 | -179.4 | -151.1 | 173.7 | 14.8 | 0 | 0 | 114.1 | D86 L87 | D86-Q89 PolarHBondContact O-N 3.39Å; L87-Q89 VanDerWaalsContact C-N 3.25Å; L87-Q89 PolarHBondContact O-N 3.49Å |
| 90 | S | 48.3 | Very low | 51.6 | Low | 80 Ų | 80 | 136.2 Ų | 136.2 | 56% | 0.559 | 73% | 0.725 | S | S | * | * | trans | -115.6 | 39.3 | -176.4 | 72.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 91 | V | 47.5 | Very low | 52.3 | Low | 117 Ų | 117 | 132.8 Ų | 132.8 | 71% | 0.709 | 71% | 0.71 | S | S | * | * | trans | -107.8 | 118.2 | 165.8 | -178.6 | 0 | 0 | 0 | 0 | 108.6 | S93 | V91-S93 PolarHBondContact O-N 3.38Š| ||
| 92 | P | 48.2 | Very low | 52.7 | Low | 107 Ų | 107 | 131.2 Ų | 131.2 | 70% | 0.695 | 71% | 0.713 | S | S | * | * | trans | -67.3 | 129.9 | 174.8 | 28.4 | -33.3 | 0 | 0 | 0 | 109.8 | V94 | P92-V94 PolarHBondContact O-N 3.01Š| ||
| 93 | S | 55.3 | Low | 53.7 | Low | 126 Ų | 126 | 132.1 Ų | 132.1 | 88% | 0.881 | 72% | 0.718 | S | S | * | * | trans | -72.2 | 94.4 | -176.9 | 56.4 | 0 | 0 | 0 | 0 | 111.8 | V91 | V91-S93 PolarHBondContact O-N 3.38Š| ||
| 94 | V | 45.7 | Very low | 54.1 | Low | 114 Ų | 114 | 133.6 Ų | 133.6 | 69% | 0.691 | 72% | 0.724 | S | S | * | * | trans | -134.7 | 131.6 | 175.7 | -170.4 | 0 | 0 | 0 | 0 | 109.4 | P92 L96 | P92-V94 PolarHBondContact O-N 3.01Å; V94-L96 PolarHBondContact O-N 2.88Å | ||
| 95 | D | 49.4 | Very low | 54.6 | Low | 144 Ų | 144 | 132.8 Ų | 132.8 | 77% | 0.77 | 72% | 0.723 | S | S | * | * | trans | 39.9 | 59.2 | 169.2 | -68.1 | 0.4 | 0 | 0 | 0 | 117.7 | L97 | D95-L97 PolarHBondContact O-N 3.12Š| ||
| 96 | L | 55.3 | Low | 54.6 | Low | 157 Ų | 157 | 134.4 Ų | 134.4 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | 35 | 49.8 | 98.2 | -141.1 | 168.5 | 0 | 0 | 0 | 115.9 | V94 N98 | V94-L96 PolarHBondContact O-N 2.88Å; L96-N98 VanDerWaalsContact C-N 3.32Å; L96-N98 HydrophobicContact CD2-CB 4.28Å; L96-N98 PolarHBondContact O-N 2.96Å | |||
| 97 | L | 49.1 | Very low | 54.9 | Low | 150 Ų | 150 | 134.2 Ų | 134.2 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | trans | -61.3 | 96.8 | 162 | -82.2 | 172.2 | 0 | 0 | 0 | 108.3 | D95 M99 | D95-L97 PolarHBondContact O-N 3.12Å; L97-M99 HydrophobicContact CB-CG 4.39Å; L97-M99 PolarHBondContact O-N 2.7Å | ||
| 98 | N | 60.8 | Low | 55 | Low | 130 Ų | 130 | 136.6 Ų | 136.6 | 70% | 0.695 | 75% | 0.747 | S | S | * | * | trans | -70.4 | 73.1 | 176.8 | -176 | 9.2 | 0 | 0 | 0 | 110 | L96 K100 | L96-N98 VanDerWaalsContact C-N 3.32Å; L96-N98 HydrophobicContact CD2-CB 4.28Å; L96-N98 PolarHBondContact O-N 2.96Å; N98-K100 PolarHBondContact O-N 2.7Å | ||
| 99 | M | 52.3 | Low | 55.3 | Low | 160 Ų | 160 | 135.4 Ų | 135.4 | 79% | 0.788 | 75% | 0.747 | S | S | * | * | trans | -68 | 79.5 | 175.7 | -69.9 | -59.4 | -67.5 | 0 | 0 | 109.2 | L97 A101 | L97-M99 HydrophobicContact CB-CG 4.39Å; L97-M99 PolarHBondContact O-N 2.7Å; M99-A101 PolarHBondContact O-N 3.5Å | ||
| 100 | K | 57.8 | Low | 55.5 | Low | 181 Ų | 181 | 135.6 Ų | 135.6 | 79% | 0.787 | 75% | 0.748 | S | S | * | * | trans | -58.6 | 100.8 | 177.3 | -176.7 | 67.7 | 174.1 | -172.4 | 0 | 108.8 | N98 | N98-K100 PolarHBondContact O-N 2.7Š| ||
| 101 | A | 63.1 | Low | 55.6 | Low | 63 Ų | 63 | 140 Ų | 140 | 52% | 0.521 | 76% | 0.759 | S | S | . | * | P | Polyproline II helix | trans | -52.1 | 140.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | M99 | M99-A101 PolarHBondContact O-N 3.5Š|
| 102 | P | 62.8 | Low | 55.8 | Low | 111 Ų | 111 | 139.8 Ų | 139.8 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 140.2 | 179.7 | -29.2 | 35.5 | 0 | 0 | 0 | 111.8 | R104 | P102-R104 PolarHBondContact O-N 3.05Š|
| 103 | P | 66.6 | Low | 55.6 | Low | 104 Ų | 104 | 142.5 Ų | 142.5 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 124.5 | -175.7 | 24.1 | -33.4 | 0 | 0 | 0 | 110.1 | V105 | P103-V105 PolarHBondContact O-N 3.07Š|
| 104 | R | 61.6 | Low | 55.1 | Low | 244 Ų | 244 | 144.3 Ų | 144.3 | 92% | 0.921 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -70.6 | 12.2 | -176.3 | -71.2 | -177.6 | 171 | 148 | -2.4 | 114.6 | P102 | P102-R104 PolarHBondContact O-N 3.05Š|
| 105 | V | 61.3 | Low | 54.6 | Low | 108 Ų | 108 | 143.8 Ų | 143.8 | 66% | 0.655 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -138.8 | 117.6 | 170.8 | -179.1 | 0 | 0 | 0 | 0 | 107.1 | P103 T107 | P103-V105 PolarHBondContact O-N 3.07Å; V105-T107 HydrophobicContact CG1-CG2 4.42Å; V105-T107 PolarHBondContact O-N 3.35Å |
| 106 | L | 56.3 | Low | 54.3 | Low | 161 Ų | 161 | 145 Ų | 145 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | trans | -79.1 | 101.4 | 168.7 | -65.7 | 174.8 | 0 | 0 | 0 | 108.1 | L108 | L106-L108 PolarHBondContact O-N 3.36Š| ||
| 107 | T | 56.4 | Low | 53.7 | Low | 106 Ų | 106 | 145.9 Ų | 145.9 | 65% | 0.65 | 78% | 0.775 | S | S | * | * | trans | -74.6 | 119.3 | 173.2 | 49.3 | 0 | 0 | 0 | 0 | 109.7 | V105 T109 | V105-T107 HydrophobicContact CG1-CG2 4.42Å; V105-T107 PolarHBondContact O-N 3.35Å; T107-T109 PolarHBondContact O-N 3.31Å | ||
| 108 | L | 54.6 | Low | 53 | Low | 177 Ų | 177 | 145.1 Ų | 145.1 | 93% | 0.927 | 78% | 0.777 | S | S | * | * | trans | -72.5 | 72.7 | 175.5 | -68.7 | 172.8 | 0 | 0 | 0 | 111.3 | L106 | L106-L108 PolarHBondContact O-N 3.36Š| ||
| 109 | T | 55.8 | Low | 51.6 | Low | 115 Ų | 115 | 146 Ų | 146 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | trans | -89.2 | 111 | 161.2 | 49.8 | 0 | 0 | 0 | 0 | 108 | T107 Q111 | T107-T109 PolarHBondContact O-N 3.31Å; T109-Q111 PolarHBondContact O-N 2.84Å | ||
| 110 | E | 56.6 | Low | 50.8 | Low | 193 Ų | 193 | 146.8 Ų | 146.8 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | trans | -69 | 95.8 | 178.7 | -64.3 | -165.6 | 146.3 | 0 | 0 | 111 | ||||
| 111 | Q | 51.6 | Low | 49.5 | Very low | 172 Ų | 172 | 142.5 Ų | 142.5 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -97 | 107.1 | 156.4 | -176.7 | 168.4 | -1.7 | 0 | 0 | 107.1 | T109 L113 | T109-Q111 PolarHBondContact O-N 2.84Å; Q111-L113 PolarHBondContact O-N 2.85Å | ||
| 112 | P | 50.7 | Low | 48 | Very low | 113 Ų | 113 | 144.1 Ų | 144.1 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | -59.8 | 132.6 | 171.7 | 25.6 | -32.7 | 0 | 0 | 0 | 108.7 | D114 | P112-D114 PolarHBondContact O-N 2.8Š| ||
| 113 | L | 44.6 | Very low | 46.3 | Very low | 163 Ų | 163 | 146.1 Ų | 146.1 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | -67.2 | 114.3 | 172.4 | -69.3 | 171.6 | 0 | 0 | 0 | 107.7 | Q111 S115 | Q111-L113 PolarHBondContact O-N 2.85Å; L113-S115 PolarHBondContact O-N 3.44Å; L113-S115 VanDerWaalsContact O-N 3.15Å | ||
| 114 | D | 44.6 | Very low | 44.6 | Very low | 164 Ų | 164 | 145.3 Ų | 145.3 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | trans | -62.6 | 118.1 | 179.1 | -156.5 | 0.7 | 0 | 0 | 0 | 108.5 | P112 L116 | P112-D114 PolarHBondContact O-N 2.8Å; D114-L116 PolarHBondContact O-N 3Å | ||
| 115 | S | 36.2 | Very low | 43.3 | Very low | 104 Ų | 104 | 142.4 Ų | 142.4 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -79.4 | 109.3 | -169 | -68.4 | 0 | 0 | 0 | 0 | 108.6 | L113 E117 | L113-S115 PolarHBondContact O-N 3.44Å; L113-S115 VanDerWaalsContact O-N 3.15Å; S115-E117 VanDerWaalsContact C-N 3.27Å; S115-E117 PolarHBondContact O-N 3.39Å | ||
| 116 | L | 43.5 | Very low | 41.8 | Very low | 170 Ų | 170 | 143.2 Ų | 143.2 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | trans | -70.1 | 90.2 | 177.9 | -122.7 | 173.4 | 0 | 0 | 0 | 109.8 | D114 | D114-L116 PolarHBondContact O-N 3Š| ||
| 117 | E | 41.2 | Very low | 40.4 | Very low | 174 Ų | 174 | 143.1 Ų | 143.1 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | trans | -53.9 | 135.1 | 179.5 | -171.7 | 167 | 81.4 | 0 | 0 | 111 | S115 | S115-E117 VanDerWaalsContact C-N 3.27Å; S115-E117 PolarHBondContact O-N 3.39Å | ||
| 118 | T | 34.1 | Very low | 40 | Very low | 135 Ų | 135 | 143 Ų | 143 | 83% | 0.828 | 81% | 0.805 | S | S | * | * | trans | -101.1 | 102.9 | 175.4 | -61.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 119 | D | 32.7 | Very low | 38.9 | Very low | 147 Ų | 147 | 139.7 Ų | 139.7 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | trans | -152.1 | 171.4 | 156.7 | -133 | -32 | 0 | 0 | 0 | 114.6 | ||||
| 120 | Q | 35.8 | Very low | 37.8 | Very low | 178 Ų | 178 | 142.4 Ų | 142.4 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | trans | -105.6 | 161.4 | -160.9 | -90.2 | 173.3 | 82.8 | 0 | 0 | 116.1 | ||||
| 121 | A | 30.1 | Very low | 36.6 | Very low | 90 Ų | 90 | 140 Ų | 140 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | trans | 69.8 | 96.5 | 148.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 122 | A | 30.9 | Very low | 35.6 | Very low | 97 Ų | 97 | 136.3 Ų | 136.3 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | 62.9 | 110.5 | 118 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 123 | N | 28.3 | Very low | 34.8 | Very low | 154 Ų | 154 | 135.4 Ų | 135.4 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | 106.2 | 143.4 | 123.8 | -149.7 | 20.6 | 0 | 0 | 0 | 120.3 | |||||
| 124 | S | 30.8 | Very low | 34.3 | Very low | 86 Ų | 86 | 138.1 Ų | 138.1 | 60% | 0.601 | 80% | 0.796 | S | S | * | * | trans | 74.2 | 104.2 | 158.7 | -62.4 | 0 | 0 | 0 | 0 | 123 | ||||
| 125 | Q | 32.8 | Very low | 34 | Very low | 184 Ų | 184 | 136.9 Ų | 136.9 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | 77.5 | 129.3 | 129.5 | -67.6 | -176.7 | -41.6 | 0 | 0 | 123.7 | |||||
| 126 | S | 29.6 | Very low | 34 | Very low | 125 Ų | 125 | 139 Ų | 139 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | 89.1 | 155 | 146 | 79.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 127 | N | 28.3 | Very low | 33.8 | Very low | 158 Ų | 158 | 142.3 Ų | 142.3 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | trans | -155 | 165.1 | -165.2 | -123.3 | -11.6 | 0 | 0 | 0 | 106.5 | ||||
| 128 | P | 47.9 | Very low | 33.4 | Very low | 104 Ų | 104 | 139.2 Ų | 139.2 | 68% | 0.675 | 80% | 0.796 | S | S | * | * | cis | -130.8 | 177 | -39.5 | 38.9 | -24.4 | 0 | 0 | 0 | 112 | ||||
| 129 | S | 30.2 | Very low | 33.5 | Very low | 108 Ų | 108 | 142.8 Ų | 142.8 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | 166.9 | 121.5 | 128.7 | 46.5 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 130 | H | 33.2 | Very low | 34 | Very low | 171 Ų | 171 | 143.9 Ų | 143.9 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | trans | 56 | 133.7 | 134.4 | -70.7 | -78.6 | 0 | 0 | 0 | 125.9 | ||||
| 131 | T | 32.6 | Very low | 34.3 | Very low | 142 Ų | 142 | 140.5 Ų | 140.5 | 87% | 0.871 | 77% | 0.772 | S | S | * | * | trans | 71.1 | 145.8 | 156.5 | 59.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 132 | A | 30.3 | Very low | 35.2 | Very low | 96 Ų | 96 | 145.3 Ų | 145.3 | 79% | 0.793 | 77% | 0.77 | S | S | * | * | cis | -136.9 | 160.9 | 2.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 133 | S | 32.6 | Very low | 35.8 | Very low | 94 Ų | 94 | 145.9 Ų | 145.9 | 66% | 0.657 | 77% | 0.768 | S | S | * | * | trans | -97.6 | 145.8 | 175.5 | 173.6 | 0 | 0 | 0 | 0 | 111.6 | N135 | S133-N135 PolarHBondContact OG-ND2 2.95Š| ||
| 134 | Y | 35.7 | Very low | 36.3 | Very low | 219 Ų | 219 | 142.8 Ų | 142.8 | 86% | 0.859 | 77% | 0.765 | S | S | * | * | trans | -129.3 | 137.1 | 151.2 | 51.7 | -91.8 | 0 | 0 | 0 | 110.1 | ||||
| 135 | N | 36.7 | Very low | 37 | Very low | 139 Ų | 139 | 142.9 Ų | 142.9 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | trans | -106.1 | 143.9 | -174.8 | -70.6 | -92.7 | 0 | 0 | 0 | 110.4 | S133 | S133-N135 PolarHBondContact OG-ND2 2.95Š| ||
| 136 | T | 35.9 | Very low | 37.4 | Very low | 148 Ų | 148 | 141.9 Ų | 141.9 | 91% | 0.908 | 76% | 0.76 | S | S | * | * | trans | -131.4 | 133.5 | 154.2 | -43.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 137 | R | 39.1 | Very low | 37.8 | Very low | 240 Ų | 240 | 141.3 Ų | 141.3 | 91% | 0.906 | 75% | 0.748 | S | S | * | * | trans | -136.8 | 131.1 | -163.3 | 176.5 | -170.9 | 179.1 | -150.8 | 3.7 | 111.5 | ||||
| 138 | S | 32.9 | Very low | 38.5 | Very low | 108 Ų | 108 | 141.2 Ų | 141.2 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | trans | -149.7 | 107.2 | 165 | -151.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 139 | R | 37.5 | Very low | 38.8 | Very low | 211 Ų | 211 | 142.2 Ų | 142.2 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | 82 | 124.5 | 69 | -180 | -172.1 | -171 | -102.1 | 5.8 | 110.4 | |||||
| 140 | R | 42.6 | Very low | 39 | Very low | 170 Ų | 170 | 140.1 Ų | 140.1 | 64% | 0.642 | 75% | 0.748 | S | S | * | * | cis | -157.7 | 164.1 | -3.9 | 71.7 | -170.9 | -57 | -151.5 | 2.9 | 106.5 | ||||
| 141 | E | 43.1 | Very low | 39.3 | Very low | 107 Ų | 107 | 143.1 Ų | 143.1 | 50% | 0.5 | 75% | 0.752 | S | S | . | * | cis | -170.1 | 165.8 | -3.2 | -113.1 | 162.2 | -120.2 | 0 | 0 | 104.1 | ||||
| 142 | R | 48.3 | Very low | 39.5 | Very low | 190 Ų | 190 | 144.9 Ų | 144.9 | 72% | 0.717 | 75% | 0.75 | S | S | * | * | cis | -120.8 | -167.1 | 20.1 | -93.2 | 89 | -152.5 | -107.1 | -6.5 | 110 | ||||
| 143 | S | 42.8 | Very low | 39.4 | Very low | 109 Ų | 109 | 143.8 Ų | 143.8 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | cis | 78.5 | 134.9 | 23.1 | -18.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 144 | A | 39.3 | Very low | 39.6 | Very low | 90 Ų | 90 | 144.8 Ų | 144.8 | 74% | 0.744 | 76% | 0.755 | S | S | * | * | cis | -166.3 | 170.6 | -1.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 145 | S | 44.7 | Very low | 39.5 | Very low | 87 Ų | 87 | 142.7 Ų | 142.7 | 61% | 0.608 | 75% | 0.752 | S | S | * | * | cis | 178.2 | 152.7 | -17.9 | 44.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 146 | E | 43.1 | Very low | 39.3 | Very low | 164 Ų | 164 | 140.8 Ų | 140.8 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | trans | 68.3 | 157.5 | 153 | -73.5 | 171.5 | 77.8 | 0 | 0 | 118.7 | ||||
| 147 | N | 36.7 | Very low | 39 | Very low | 113 Ų | 113 | 140 Ų | 140 | 60% | 0.604 | 75% | 0.75 | S | S | * | * | cis | -160.2 | 137.9 | 0.4 | -115.7 | -22.8 | 0 | 0 | 0 | 114.8 | ||||
| 148 | I | 42.9 | Very low | 38.7 | Very low | 156 Ų | 156 | 140 Ų | 140 | 80% | 0.8 | 75% | 0.75 | S | S | * | * | trans | 65.4 | 153.3 | 136.5 | -78.7 | 171.7 | 0 | 0 | 0 | 122.6 | ||||
| 149 | P | 54 | Low | 38.6 | Very low | 124 Ų | 124 | 138 Ų | 138 | 81% | 0.805 | 75% | 0.746 | S | S | * | * | trans | -134.4 | -180 | -150.5 | 44.6 | -27.7 | 0 | 0 | 0 | 119 | ||||
| 150 | G | 34.8 | Very low | 38.3 | Very low | 65 Ų | 65 | 135.4 Ų | 135.4 | 67% | 0.67 | 75% | 0.747 | S | S | * | * | trans | -154.3 | 136.7 | 158.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 151 | R | 38.8 | Very low | 37.9 | Very low | 233 Ų | 233 | 134 Ų | 134 | 88% | 0.879 | 76% | 0.757 | S | S | * | * | 57.4 | 131.2 | 68.8 | -78.4 | -171.5 | 174.2 | -122.2 | 1.9 | 112.3 | |||||
| 152 | H | 36.7 | Very low | 37.3 | Very low | 180 Ų | 180 | 134.2 Ų | 134.2 | 83% | 0.833 | 77% | 0.771 | S | S | * | * | cis | -162.3 | 175.1 | 12.1 | -162.5 | 53.2 | 0 | 0 | 0 | 110.2 | ||||
| 153 | G | 28.8 | Very low | 37.1 | Very low | 72 Ų | 72 | 131.4 Ų | 131.4 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | trans | 125.2 | 134.8 | 160.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 154 | S | 36.2 | Very low | 36.5 | Very low | 115 Ų | 115 | 132.8 Ų | 132.8 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -128.3 | 153.2 | 177.1 | 56.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 155 | H | 33.8 | Very low | 37 | Very low | 176 Ų | 176 | 133.7 Ų | 133.7 | 82% | 0.815 | 78% | 0.777 | S | S | * | * | 174.2 | 170.8 | 111.9 | -157.5 | -105.1 | 0 | 0 | 0 | 111.8 | |||||
| 156 | C | 33.6 | Very low | 36.4 | Very low | 99 Ų | 99 | 135.1 Ų | 135.1 | 67% | 0.669 | 79% | 0.787 | S | S | * | * | trans | -79.9 | 158.7 | -171.2 | -47.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 157 | S | 28.6 | Very low | 36.5 | Very low | 132 Ų | 132 | 132.6 Ų | 132.6 | 92% | 0.923 | 79% | 0.785 | S | S | * | * | trans | -154.3 | 160.5 | 145.1 | -103.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 158 | R | 34.2 | Very low | 36.4 | Very low | 240 Ų | 240 | 133 Ų | 133 | 91% | 0.906 | 80% | 0.796 | S | S | * | * | trans | -144.1 | 134.2 | -165.2 | 171.8 | -169.2 | 179.1 | -158.5 | 1.9 | 109.4 | ||||
| 159 | G | 30.2 | Very low | 36 | Very low | 65 Ų | 65 | 129.9 Ų | 129.9 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | trans | 174.4 | 92.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 160 | D | 31.2 | Very low | 35.2 | Very low | 156 Ų | 156 | 129.8 Ų | 129.8 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | trans | 5.8 | 124.6 | 149.5 | -44.7 | -34 | 0 | 0 | 0 | 119.3 | ||||
| 161 | V | 33.8 | Very low | 35.8 | Very low | 140 Ų | 140 | 132.1 Ų | 132.1 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | trans | -98.1 | 118.9 | 165 | 174.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 162 | S | 31.3 | Very low | 36 | Very low | 113 Ų | 113 | 126.9 Ų | 126.9 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | -87 | 145.4 | 171.9 | 48.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 163 | V | 43.5 | Very low | 36.5 | Very low | 130 Ų | 130 | 129.7 Ų | 129.7 | 79% | 0.788 | 79% | 0.793 | S | S | * | * | trans | -105 | 126.8 | -179.3 | 175.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 164 | T | 29.8 | Very low | 37.3 | Very low | 139 Ų | 139 | 133 Ų | 133 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | -139.9 | 148.1 | 153.5 | 40.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 165 | P | 49.7 | Very low | 37.8 | Very low | 109 Ų | 109 | 132.8 Ų | 132.8 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | trans | -120.7 | 162.6 | -160.7 | 40.3 | -27.9 | 0 | 0 | 0 | 116.2 | ||||
| 166 | S | 33 | Very low | 38.5 | Very low | 116 Ų | 116 | 128.3 Ų | 128.3 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | 69.4 | 164.7 | 161.2 | -71.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 167 | P | 44.5 | Very low | 39.3 | Very low | 111 Ų | 111 | 128.7 Ų | 128.7 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | cis | -125 | -176.9 | 6.1 | 42.2 | -28.2 | 0 | 0 | 0 | 116.1 | ||||
| 168 | S | 35.4 | Very low | 40.3 | Very low | 122 Ų | 122 | 126.2 Ų | 126.2 | 85% | 0.853 | 75% | 0.754 | S | S | * | * | trans | 77.8 | 85.7 | 160.5 | -58.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 169 | A | 34.4 | Very low | 41 | Very low | 90 Ų | 90 | 118 Ų | 118 | 74% | 0.744 | 73% | 0.733 | S | S | * | * | trans | -146 | 136 | 150.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 170 | P | 37.7 | Very low | 42.2 | Very low | 123 Ų | 123 | 116.7 Ų | 116.7 | 80% | 0.799 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 136.5 | 170.8 | 30.7 | -32.5 | 0 | 0 | 0 | 110.3 | ||
| 171 | P | 47.1 | Very low | 43.3 | Very low | 113 Ų | 113 | 114.7 Ų | 114.7 | 73% | 0.734 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 126.5 | -167.9 | 30.4 | -34.9 | 0 | 0 | 0 | 113.4 | R173 | P171-R173 PolarHBondContact O-N 3.46Š|
| 172 | V | 41.8 | Very low | 44.3 | Very low | 124 Ų | 124 | 114.5 Ų | 114.5 | 75% | 0.752 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 125.3 | 156.5 | 176 | 0 | 0 | 0 | 0 | 107.8 | L174 | V172-L174 HydrophobicContact CG1-CG 4.48Å; V172-L174 PolarHBondContact O-N 3.4Å |
| 173 | R | 48.1 | Very low | 45.4 | Very low | 238 Ų | 238 | 109.8 Ų | 109.8 | 90% | 0.898 | 67% | 0.665 | S | S | * | * | trans | -74.8 | 59.3 | 178.4 | -77.5 | -84.9 | -176.7 | 124.5 | -1.9 | 112.2 | P171 | P171-R173 PolarHBondContact O-N 3.46Š| ||
| 174 | L | 46.5 | Very low | 45.9 | Very low | 142 Ų | 142 | 108.2 Ų | 108.2 | 74% | 0.743 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -56 | 147.8 | 145.2 | -72.3 | 160.2 | 0 | 0 | 0 | 107.8 | V172 | V172-L174 HydrophobicContact CG1-CG 4.48Å; V172-L174 PolarHBondContact O-N 3.4Å |
| 175 | C | 44.8 | Very low | 47.1 | Very low | 111 Ų | 111 | 108.4 Ų | 108.4 | 75% | 0.75 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 136.2 | 172.1 | -59.8 | 0 | 0 | 0 | 0 | 109.2 | ||
| 176 | P | 50.1 | Low | 47.5 | Very low | 82 Ų | 82 | 105.3 Ų | 105.3 | 53% | 0.532 | 64% | 0.639 | S | S | . | * | P | Polyproline II helix | trans | -53.5 | 132.9 | 172 | -23.1 | 33 | 0 | 0 | 0 | 109 | L178 | P176-L178 PolarHBondContact O-N 2.88Š|
| 177 | P | 50.4 | Low | 48.9 | Very low | 107 Ų | 107 | 105 Ų | 105 | 70% | 0.695 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 130.6 | 178.8 | 23.4 | -33 | 0 | 0 | 0 | 109 | C179 | P177-C179 PolarHBondContact O-N 3.01Å; P177-C179 VanDerWaalsContact O-N 3.08Å |
| 178 | L | 49.2 | Very low | 49.9 | Very low | 79 Ų | 79 | 103.8 Ų | 103.8 | 41% | 0.414 | 62% | 0.615 | S | S | . | * | S | Bend | trans | -62.8 | -19.5 | -174.2 | -72 | 169 | 0 | 0 | 0 | 112.9 | P176 S180 R204 A205 | P176-L178 PolarHBondContact O-N 2.88Å; L178-S180 PolarHBondContact O-N 2.86Å; L178-R204 PolarHBondContact O-NH1 2.82Å; L178-A205 HydrophobicContact CD2-CB 4.25Å |
| 179 | C | 49.1 | Very low | 51.3 | Low | 67 Ų | 67 | 108 Ų | 108 | 45% | 0.453 | 62% | 0.618 | S | S | . | * | trans | -73 | 109.9 | 167.6 | -52.4 | 0 | 0 | 0 | 0 | 110.5 | P177 Y197 | P177-C179 PolarHBondContact O-N 3.01Å; P177-C179 VanDerWaalsContact O-N 3.08Å; C179-Y197 PolarHBondContact SG-OH 3.42Å | ||
| 180 | S | 54.4 | Low | 53.7 | Low | 39 Ų | 39 | 107.5 Ų | 107.5 | 27% | 0.273 | 61% | 0.606 | S | S | . | * | trans | -74.5 | 148.2 | 162 | -157.2 | 0 | 0 | 0 | 0 | 108.4 | L178 E182 D183 | L178-S180 PolarHBondContact O-N 2.86Å; S180-E182 WeakPolarHBondContact CB-OE2 3.48Å; S180-E182 PolarHBondContact O-N 3.45Å; S180-E182 PolarHBondContact OG-OE2 3.11Å; S180-D183 PolarHBondContact N-OD2 2.82Å; S180-D183 VanDerWaalsContact N-OD2 3.16Å; S180-D183 WeakPolarHBondContact O-CB 3.28Å; S180-D183 PolarHBondContact O-N 3.02Å | ||
| 181 | P | 54.6 | Low | 55.6 | Low | 114 Ų | 114 | 105.1 Ų | 105.1 | 74% | 0.74 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -55.2 | -24.7 | -178.6 | -28.3 | 36.9 | 0 | 0 | 0 | 114.8 | D183 | P181-D183 VanDerWaalsContact C-N 3.31Å; P181-D183 PolarHBondContact O-N 3.33Å |
| 182 | E | 55.9 | Low | 57.1 | Low | 136 Ų | 136 | 102.8 Ų | 102.8 | 64% | 0.636 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -68.2 | -23.4 | 175.4 | -57.4 | 83.7 | 178 | 0 | 0 | 113.9 | S180 A184 | S180-E182 WeakPolarHBondContact CB-OE2 3.48Å; S180-E182 PolarHBondContact O-N 3.45Å; S180-E182 PolarHBondContact OG-OE2 3.11Å; E182-A184 PolarHBondContact O-N 2.79Å |
| 183 | D | 53.1 | Low | 59.1 | Low | 13 Ų | 13 | 97.4 Ų | 97.4 | 7% | 0.07 | 56% | 0.557 | C | S | . | * | G | 310 helix | trans | -69.3 | -19.1 | -178.7 | -64.2 | -32.2 | 0 | 0 | 0 | 112.7 | S180 P181 N185 I186 Y197 R204 | S180-D183 PolarHBondContact N-OD2 2.82Å; S180-D183 VanDerWaalsContact N-OD2 3.16Å; S180-D183 WeakPolarHBondContact O-CB 3.28Å; S180-D183 PolarHBondContact O-N 3.02Å; P181-D183 VanDerWaalsContact C-N 3.31Å; P181-D183 PolarHBondContact O-N 3.33Å; D183-N185 PolarHBondContact O-N 3.3Å; D183-I186 HydrophobicContact CB-CD1 3.95Å; D183-I186 WeakPolarHBondContact O-CG1 3.28Å; D183-I186 PolarHBondContact O-N 3.42Å; D183-Y197 HydrophobicContact CB-CD2 4.11Å; D183-Y197 HydrophobicContact CB-CE2 4.13Å; D183-R204 IonicContact OD1-CZ 3.12Å; D183-R204 IonicContact OD1-NH1 3.36Å; D183-R204 IonicContact OD1-NH2 2.82Å; D183-R204 PolarHBondContact OD1-NH2 3.15Å; D183-R204 IonicContact OD2-CZ 2.7Å; D183-R204 IonicContact OD2-NH1 3.87Å; D183-R204 PolarHBondContact OD2-NH1 3.01Å; D183-R204 IonicContact OD2-NH2 2.7Å; D183-R204 PolarHBondContact OD2-NH2 2.8Å |
| 184 | A | 54.7 | Low | 60.8 | Low | 98 Ų | 98 | 91.1 Ų | 91.1 | 81% | 0.81 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -63.8 | -11 | -178 | 0 | 0 | 0 | 0 | 0 | 114.2 | E182 | E182-A184 PolarHBondContact O-N 2.79Š|
| 185 | N | 55 | Low | 62.7 | Low | 143 Ų | 143 | 89.7 Ų | 89.7 | 77% | 0.765 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -111.5 | 9.7 | 177.9 | -144.3 | -20.3 | 0 | 0 | 0 | 113 | D183 | D183-N185 PolarHBondContact O-N 3.3Š|
| 186 | I | 58.6 | Low | 64.6 | Low | 44 Ų | 44 | 87.4 Ų | 87.4 | 23% | 0.226 | 51% | 0.514 | C | S | . | . | S | Bend | trans | -78.7 | 126.5 | 169.5 | -54.3 | 170.2 | 0 | 0 | 0 | 107.9 | D183 L188 G193 Y197 | D183-I186 HydrophobicContact CB-CD1 3.95Å; D183-I186 WeakPolarHBondContact O-CG1 3.28Å; D183-I186 PolarHBondContact O-N 3.42Å; I186-L188 VanDerWaalsContact C-N 3.34Å; I186-L188 PolarHBondContact O-N 3.32Å; I186-G193 VanDerWaalsContact CG2-O 3.27Å; I186-G193 WeakPolarHBondContact CG2-O 3.23Å; I186-Y197 HydrophobicContact CD1-CD2 4.25Å |
| 187 | N | 61.2 | Low | 66.3 | Low | 108 Ų | 108 | 86.1 Ų | 86.1 | 58% | 0.578 | 50% | 0.499 | S | S | * | . | trans | -73 | 85.6 | 176 | -78.5 | -83.6 | 0 | 0 | 0 | 110.6 | F189 T190 | N187-F189 PolarHBondContact O-N 3Å; N187-F189 VanDerWaalsContact O-N 3.14Å; N187-T190 WeakPolarHBondContact O-CB 3.4Å; N187-T190 PolarHBondContact O-N 3.15Å | ||
| 188 | L | 65.3 | Low | 68.1 | Low | 87 Ų | 87 | 83.8 Ų | 83.8 | 46% | 0.455 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -25.5 | 175.7 | -82.7 | 98.3 | 0 | 0 | 0 | 112.9 | I186 T190 F194 Y197 | I186-L188 VanDerWaalsContact C-N 3.34Å; I186-L188 PolarHBondContact O-N 3.32Å; L188-T190 PolarHBondContact O-N 3.19Å; L188-F194 HydrophobicContact CD2-CD2 4.46Å; L188-Y197 HydrophobicContact CD2-CD1 4.28Å |
| 189 | F | 66.3 | Low | 70 | Confident | 210 Ų | 210 | 86.9 Ų | 86.9 | 92% | 0.921 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -8.9 | 172.6 | -67.4 | -79.9 | 0 | 0 | 0 | 114.3 | N187 | N187-F189 PolarHBondContact O-N 3Å; N187-F189 VanDerWaalsContact O-N 3.14Å |
| 190 | T | 82.9 | Confident | 71.6 | Confident | 79 Ų | 79 | 85 Ų | 85 | 49% | 0.485 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -109.1 | 130.2 | 174 | -61.9 | 0 | 0 | 0 | 0 | 109.6 | N187 L188 A192 G193 F194 | N187-T190 WeakPolarHBondContact O-CB 3.4Å; N187-T190 PolarHBondContact O-N 3.15Å; L188-T190 PolarHBondContact O-N 3.19Å; T190-A192 VanDerWaalsContact C-N 3.27Å; T190-A192 HydrophobicContact CG2-CB 4.34Å; T190-A192 PolarHBondContact O-N 2.79Å; T190-A192 VanDerWaalsContact O-N 3.16Å; T190-G193 WeakPolarHBondContact O-CA 3.46Å; T190-G193 PolarHBondContact O-N 3.39Å; T190-F194 PolarHBondContact O-N 3.36Å |
| 191 | A | 77.9 | Confident | 73.1 | Confident | 74 Ų | 74 | 84.1 Ų | 84.1 | 61% | 0.612 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -53.9 | -39.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | G193 F194 L195 | A191-G193 VanDerWaalsContact C-N 3.33Å; A191-G193 PolarHBondContact O-N 2.82Å; A191-F194 PolarHBondContact O-N 3.3Å; A191-L195 WeakPolarHBondContact O-CB 3.49Å; A191-L195 VanDerWaalsContact O-CG 3.27Å; A191-L195 WeakPolarHBondContact O-CG 3.46Å; A191-L195 PolarHBondContact O-N 2.76Å |
| 192 | A | 79.8 | Confident | 74.7 | Confident | 64 Ų | 64 | 81.8 Ų | 81.8 | 53% | 0.529 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.6 | -34.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | T190 S196 | T190-A192 VanDerWaalsContact C-N 3.27Å; T190-A192 HydrophobicContact CG2-CB 4.34Å; T190-A192 PolarHBondContact O-N 2.79Å; T190-A192 VanDerWaalsContact O-N 3.16Å; A192-S196 VanDerWaalsContact O-CB 3.31Å; A192-S196 WeakPolarHBondContact O-CB 3.47Å; A192-S196 PolarHBondContact O-N 3.45Å; A192-S196 PolarHBondContact O-OG 3Å |
| 193 | G | 83.6 | Confident | 76.1 | Confident | 11 Ų | 11 | 83.7 Ų | 83.7 | 11% | 0.113 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -69.7 | -48.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I186 T190 A191 L195 S196 Y197 | I186-G193 VanDerWaalsContact CG2-O 3.27Å; I186-G193 WeakPolarHBondContact CG2-O 3.23Å; T190-G193 WeakPolarHBondContact O-CA 3.46Å; T190-G193 PolarHBondContact O-N 3.39Å; A191-G193 VanDerWaalsContact C-N 3.33Å; A191-G193 PolarHBondContact O-N 2.82Å; G193-L195 PolarHBondContact O-N 3.44Å; G193-S196 PolarHBondContact O-N 2.73Å; G193-Y197 PolarHBondContact O-N 3.03Å |
| 194 | F | 83.7 | Confident | 77.6 | Confident | 105 Ų | 105 | 86.1 Ų | 86.1 | 46% | 0.461 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -57 | -47.5 | 174.6 | 178.2 | -98.9 | 0 | 0 | 0 | 112.2 | L188 T190 A191 S196 Y197 V198 | L188-F194 HydrophobicContact CD2-CD2 4.46Å; T190-F194 PolarHBondContact O-N 3.36Å; A191-F194 PolarHBondContact O-N 3.3Å; F194-S196 VanDerWaalsContact C-N 3.34Å; F194-S196 PolarHBondContact O-N 3Å; F194-Y197 PolarHBondContact O-N 2.95Å; F194-V198 HydrophobicContact CD1-CG2 4.21Å; F194-V198 HydrophobicContact CE1-CG2 3.73Å; F194-V198 HydrophobicContact CE2-CG2 4.07Å; F194-V198 HydrophobicContact CZ-CG2 3.65Å; F194-V198 WeakPolarHBondContact O-CG2 3.44Å; F194-V198 PolarHBondContact O-N 3.46Å |
| 195 | L | 86.7 | Confident | 79.1 | Confident | 113 Ų | 113 | 83 Ų | 83 | 59% | 0.592 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -63 | -39.2 | 177 | -71.1 | 171.1 | 0 | 0 | 0 | 112.1 | A191 G193 Y197 V198 Q199 | A191-L195 WeakPolarHBondContact O-CB 3.49Å; A191-L195 VanDerWaalsContact O-CG 3.27Å; A191-L195 WeakPolarHBondContact O-CG 3.46Å; A191-L195 PolarHBondContact O-N 2.76Å; G193-L195 PolarHBondContact O-N 3.44Å; L195-Y197 VanDerWaalsContact C-N 3.34Å; L195-Y197 PolarHBondContact O-N 3.01Å; L195-V198 PolarHBondContact O-N 2.86Å; L195-Q199 VanDerWaalsContact O-CB 3.29Å; L195-Q199 WeakPolarHBondContact O-CB 3.5Å; L195-Q199 PolarHBondContact O-N 3.16Å |
| 196 | S | 84.3 | Confident | 80.5 | Confident | 63 Ų | 63 | 83.9 Ų | 83.9 | 44% | 0.441 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.1 | -38.4 | 174.7 | -60 | 0 | 0 | 0 | 0 | 112.3 | A192 G193 F194 Q199 S200 | A192-S196 VanDerWaalsContact O-CB 3.31Å; A192-S196 WeakPolarHBondContact O-CB 3.47Å; A192-S196 PolarHBondContact O-N 3.45Å; A192-S196 PolarHBondContact O-OG 3Å; G193-S196 PolarHBondContact O-N 2.73Å; F194-S196 VanDerWaalsContact C-N 3.34Å; F194-S196 PolarHBondContact O-N 3Å; S196-Q199 PolarHBondContact O-N 3.44Å; S196-S200 WeakPolarHBondContact O-CB 3.34Å; S196-S200 PolarHBondContact O-N 3.1Å; S196-S200 PolarHBondContact O-OG 2.76Å |
| 197 | Y | 85.9 | Confident | 81.9 | Confident | 55 Ų | 55 | 86 Ų | 86 | 22% | 0.216 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -69.2 | -43 | 175.7 | 174.3 | -102.9 | 0 | 0 | 0 | 112.4 | C179 D183 I186 L188 G193 F194 L195 Q199 S200 T201 | C179-Y197 PolarHBondContact SG-OH 3.42Å; D183-Y197 HydrophobicContact CB-CD2 4.11Å; D183-Y197 HydrophobicContact CB-CE2 4.13Å; I186-Y197 HydrophobicContact CD1-CD2 4.25Å; L188-Y197 HydrophobicContact CD2-CD1 4.28Å; G193-Y197 PolarHBondContact O-N 3.03Å; F194-Y197 PolarHBondContact O-N 2.95Å; L195-Y197 VanDerWaalsContact C-N 3.34Å; L195-Y197 PolarHBondContact O-N 3.01Å; Y197-Q199 VanDerWaalsContact C-N 3.3Å; Y197-Q199 PolarHBondContact O-N 3.46Å; Y197-S200 PolarHBondContact O-N 3.04Å; Y197-S200 PolarHBondContact O-OG 3.29Å; Y197-S200 VanDerWaalsContact O-OG 3.08Å; Y197-T201 HydrophobicContact CD2-CG2 4Å; Y197-T201 HydrophobicContact CE1-CG2 4.16Å; Y197-T201 HydrophobicContact CE2-CG2 3.54Å; Y197-T201 HydrophobicContact CG-CG2 4.49Å; Y197-T201 WeakPolarHBondContact O-CB 3.32Å; Y197-T201 WeakPolarHBondContact O-CG2 3.26Å; Y197-T201 PolarHBondContact O-N 3.14Å; Y197-T201 PolarHBondContact O-OG1 3.44Å |
| 198 | V | 88.4 | Confident | 83 | Confident | 57 Ų | 57 | 84 Ų | 84 | 35% | 0.345 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 173.3 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | F194 L195 T201 T202 | F194-V198 HydrophobicContact CD1-CG2 4.21Å; F194-V198 HydrophobicContact CE1-CG2 3.73Å; F194-V198 HydrophobicContact CE2-CG2 4.07Å; F194-V198 HydrophobicContact CZ-CG2 3.65Å; F194-V198 WeakPolarHBondContact O-CG2 3.44Å; F194-V198 PolarHBondContact O-N 3.46Å; L195-V198 PolarHBondContact O-N 2.86Å; V198-T201 PolarHBondContact O-OG1 2.85Å; V198-T202 WeakPolarHBondContact O-CB 3.39Å; V198-T202 PolarHBondContact O-N 3.22Å; V198-T202 PolarHBondContact O-OG1 3.11Å |
| 199 | Q | 88.3 | Confident | 84.1 | Confident | 145 Ų | 145 | 83.6 Ų | 83.6 | 68% | 0.678 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -67.4 | -41.9 | 176.4 | -169.7 | 179.3 | 13.1 | 0 | 0 | 112.3 | L195 S196 Y197 R203 | L195-Q199 VanDerWaalsContact O-CB 3.29Å; L195-Q199 WeakPolarHBondContact O-CB 3.5Å; L195-Q199 PolarHBondContact O-N 3.16Å; S196-Q199 PolarHBondContact O-N 3.44Å; Y197-Q199 VanDerWaalsContact C-N 3.3Å; Y197-Q199 PolarHBondContact O-N 3.46Å; Q199-R203 WeakPolarHBondContact O-CB 3.23Å; Q199-R203 PolarHBondContact O-N 2.92Å |
| 200 | S | 83.9 | Confident | 85 | Confident | 27 Ų | 27 | 79.3 Ų | 79.3 | 19% | 0.189 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -68.7 | -47.6 | -179.9 | 71 | 0 | 0 | 0 | 0 | 111.9 | S196 Y197 R203 R204 | S196-S200 WeakPolarHBondContact O-CB 3.34Å; S196-S200 PolarHBondContact O-N 3.1Å; S196-S200 PolarHBondContact O-OG 2.76Å; Y197-S200 PolarHBondContact O-N 3.04Å; Y197-S200 PolarHBondContact O-OG 3.29Å; Y197-S200 VanDerWaalsContact O-OG 3.08Å; S200-R203 PolarHBondContact O-N 3.48Å; S200-R204 WeakPolarHBondContact O-CG 3.29Å; S200-R204 PolarHBondContact O-N 2.99Å |
| 201 | T | 85.6 | Confident | 85 | Confident | 21 Ų | 21 | 81.7 Ų | 81.7 | 13% | 0.129 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 177.6 | 51.2 | 0 | 0 | 0 | 0 | 112 | Y197 V198 R203 R204 A205 | Y197-T201 HydrophobicContact CD2-CG2 4Å; Y197-T201 HydrophobicContact CE1-CG2 4.16Å; Y197-T201 HydrophobicContact CE2-CG2 3.54Å; Y197-T201 HydrophobicContact CG-CG2 4.49Å; Y197-T201 WeakPolarHBondContact O-CB 3.32Å; Y197-T201 WeakPolarHBondContact O-CG2 3.26Å; Y197-T201 PolarHBondContact O-N 3.14Å; Y197-T201 PolarHBondContact O-OG1 3.44Å; V198-T201 PolarHBondContact O-OG1 2.85Å; T201-R203 VanDerWaalsContact C-N 3.34Å; T201-R203 PolarHBondContact O-N 3.02Å; T201-R204 PolarHBondContact O-N 2.9Å; T201-A205 WeakPolarHBondContact O-CB 3.09Å; T201-A205 PolarHBondContact O-N 2.73Å |
| 202 | T | 88.3 | Confident | 85.2 | Confident | 64 Ų | 64 | 84.1 Ų | 84.1 | 39% | 0.393 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.5 | -43.6 | 174.9 | -60.3 | 0 | 0 | 0 | 0 | 111.2 | V198 A205 Y206 | V198-T202 WeakPolarHBondContact O-CB 3.39Å; V198-T202 PolarHBondContact O-N 3.22Å; V198-T202 PolarHBondContact O-OG1 3.11Å; T202-A205 PolarHBondContact O-N 2.77Å; T202-Y206 HydrophobicContact CG2-CD2 3.79Å; T202-Y206 HydrophobicContact CG2-CE2 3.57Å; T202-Y206 VanDerWaalsContact O-CD2 3.26Å; T202-Y206 WeakPolarHBondContact O-CD2 3.43Å; T202-Y206 PolarHBondContact O-N 2.98Å |
| 203 | R | 85.5 | Confident | 85.3 | Confident | 176 Ų | 176 | 85.3 Ų | 85.3 | 66% | 0.664 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -60.9 | -46.6 | 176.2 | 179.2 | -179.6 | 171.9 | 174.2 | 1 | 111.9 | Q199 S200 T201 Y206 Q207 | Q199-R203 WeakPolarHBondContact O-CB 3.23Å; Q199-R203 PolarHBondContact O-N 2.92Å; S200-R203 PolarHBondContact O-N 3.48Å; T201-R203 VanDerWaalsContact C-N 3.34Å; T201-R203 PolarHBondContact O-N 3.02Å; R203-Y206 PolarHBondContact O-N 3.13Å; R203-Q207 WeakPolarHBondContact O-CG 3.34Å; R203-Q207 PolarHBondContact O-N 3.07Å |
| 204 | R | 83.3 | Confident | 85 | Confident | 64 Ų | 64 | 89.8 Ų | 89.8 | 24% | 0.242 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -62.7 | -41.2 | 177.1 | -68.3 | -175.2 | -155.8 | 121.2 | 2.8 | 111.9 | L178 D183 S200 T201 Q207 Q208 | L178-R204 PolarHBondContact O-NH1 2.82Å; D183-R204 IonicContact OD1-CZ 3.12Å; D183-R204 IonicContact OD1-NH1 3.36Å; D183-R204 IonicContact OD1-NH2 2.82Å; D183-R204 PolarHBondContact OD1-NH2 3.15Å; D183-R204 IonicContact OD2-CZ 2.7Å; D183-R204 IonicContact OD2-NH1 3.87Å; D183-R204 PolarHBondContact OD2-NH1 3.01Å; D183-R204 IonicContact OD2-NH2 2.7Å; D183-R204 PolarHBondContact OD2-NH2 2.8Å; S200-R204 WeakPolarHBondContact O-CG 3.29Å; S200-R204 PolarHBondContact O-N 2.99Å; T201-R204 PolarHBondContact O-N 2.9Å; R204-Q207 PolarHBondContact O-N 3.18Å; R204-Q208 WeakPolarHBondContact O-CG 3.42Å; R204-Q208 PolarHBondContact O-N 2.69Å |
| 205 | A | 86.6 | Confident | 84.5 | Confident | 34 Ų | 34 | 88.4 Ų | 88.4 | 28% | 0.281 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.7 | -43.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | L178 T201 T202 Q207 Q208 V209 | L178-A205 HydrophobicContact CD2-CB 4.25Å; T201-A205 WeakPolarHBondContact O-CB 3.09Å; T201-A205 PolarHBondContact O-N 2.73Å; T202-A205 PolarHBondContact O-N 2.77Å; A205-Q207 VanDerWaalsContact C-N 3.34Å; A205-Q207 PolarHBondContact O-N 3.32Å; A205-Q208 PolarHBondContact O-N 2.85Å; A205-V209 WeakPolarHBondContact O-CG2 3.42Å; A205-V209 PolarHBondContact O-N 2.87Å |
| 206 | Y | 84.4 | Confident | 83.7 | Confident | 160 Ų | 160 | 85.7 Ų | 85.7 | 63% | 0.627 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -62.5 | -38.8 | 173.2 | -82.7 | -63.5 | 0 | 0 | 0 | 112.8 | T202 R203 V209 L210 | T202-Y206 HydrophobicContact CG2-CD2 3.79Å; T202-Y206 HydrophobicContact CG2-CE2 3.57Å; T202-Y206 VanDerWaalsContact O-CD2 3.26Å; T202-Y206 WeakPolarHBondContact O-CD2 3.43Å; T202-Y206 PolarHBondContact O-N 2.98Å; R203-Y206 PolarHBondContact O-N 3.13Å; Y206-V209 PolarHBondContact O-N 3.45Å; Y206-L210 WeakPolarHBondContact O-CD1 3.49Å; Y206-L210 PolarHBondContact O-N 3.02Å |
| 207 | Q | 87.8 | Confident | 82.8 | Confident | 89 Ų | 89 | 88.3 Ų | 88.3 | 42% | 0.416 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.3 | -46.1 | 175.7 | -69.7 | 176.5 | -96.7 | 0 | 0 | 111.4 | R203 R204 A205 V209 L210 E211 | R203-Q207 WeakPolarHBondContact O-CG 3.34Å; R203-Q207 PolarHBondContact O-N 3.07Å; R204-Q207 PolarHBondContact O-N 3.18Å; A205-Q207 VanDerWaalsContact C-N 3.34Å; A205-Q207 PolarHBondContact O-N 3.32Å; Q207-V209 VanDerWaalsContact C-N 3.32Å; Q207-V209 PolarHBondContact O-N 3.46Å; Q207-L210 PolarHBondContact O-N 3.44Å; Q207-E211 WeakPolarHBondContact O-CG 3.38Å; Q207-E211 PolarHBondContact O-N 3.5Å |
| 208 | Q | 84.4 | Confident | 81.6 | Confident | 65 Ų | 65 | 93.7 Ų | 93.7 | 30% | 0.304 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60 | -38.4 | 175.8 | -72.1 | 176.5 | -19.1 | 0 | 0 | 112.9 | R204 A205 L212 | R204-Q208 WeakPolarHBondContact O-CG 3.42Å; R204-Q208 PolarHBondContact O-N 2.69Å; A205-Q208 PolarHBondContact O-N 2.85Å; Q208-L212 WeakPolarHBondContact O-CB 3.35Å; Q208-L212 PolarHBondContact O-N 2.89Å |
| 209 | V | 87.9 | Confident | 80.2 | Confident | 80 Ų | 80 | 97.9 Ų | 97.9 | 49% | 0.485 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -70.4 | -38.1 | 176.8 | 172.2 | 0 | 0 | 0 | 0 | 111.8 | A205 Y206 Q207 L213 | A205-V209 WeakPolarHBondContact O-CG2 3.42Å; A205-V209 PolarHBondContact O-N 2.87Å; Y206-V209 PolarHBondContact O-N 3.45Å; Q207-V209 VanDerWaalsContact C-N 3.32Å; Q207-V209 PolarHBondContact O-N 3.46Å; V209-L213 HydrophobicContact CG1-CD1 4.45Å; V209-L213 PolarHBondContact O-N 3.25Å |
| 210 | L | 85.2 | Confident | 78.8 | Confident | 120 Ų | 120 | 95.2 Ų | 95.2 | 63% | 0.628 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -65.1 | -45.1 | 173.5 | -101.7 | 74.6 | 0 | 0 | 0 | 111.9 | Y206 Q207 L212 L213 D214 | Y206-L210 WeakPolarHBondContact O-CD1 3.49Å; Y206-L210 PolarHBondContact O-N 3.02Å; Q207-L210 PolarHBondContact O-N 3.44Å; L210-L212 VanDerWaalsContact C-N 3.35Å; L210-L212 PolarHBondContact O-N 2.89Å; L210-L213 PolarHBondContact O-N 3.21Å; L210-D214 PolarHBondContact O-N 2.9Å |
| 211 | E | 83.4 | Confident | 77.5 | Confident | 129 Ų | 129 | 100.5 Ų | 100.5 | 60% | 0.603 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60.7 | -43.4 | 177.1 | -74 | 172.3 | -175 | 0 | 0 | 111.2 | Q207 L213 D214 D215 | Q207-E211 WeakPolarHBondContact O-CG 3.38Å; Q207-E211 PolarHBondContact O-N 3.5Å; E211-L213 VanDerWaalsContact C-N 3.31Å; E211-L213 PolarHBondContact O-N 3.44Å; E211-D214 PolarHBondContact O-N 3.19Å; E211-D215 VanDerWaalsContact O-CB 3.3Å; E211-D215 WeakPolarHBondContact O-CB 3.4Å; E211-D215 PolarHBondContact O-N 2.97Å |
| 212 | L | 82.4 | Confident | 76.2 | Confident | 124 Ų | 124 | 104.8 Ų | 104.8 | 65% | 0.649 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.9 | -37.8 | 174.9 | -169.6 | 73.9 | 0 | 0 | 0 | 112.4 | Q208 L210 S216 | Q208-L212 WeakPolarHBondContact O-CB 3.35Å; Q208-L212 PolarHBondContact O-N 2.89Å; L210-L212 VanDerWaalsContact C-N 3.35Å; L210-L212 PolarHBondContact O-N 2.89Å; L212-S216 WeakPolarHBondContact O-CB 3.47Å; L212-S216 PolarHBondContact O-N 3.44Å |
| 213 | L | 82.1 | Confident | 74.4 | Confident | 90 Ų | 90 | 107.1 Ų | 107.1 | 47% | 0.471 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.3 | -45.3 | 175.6 | -106.4 | 66.1 | 0 | 0 | 0 | 111.7 | V209 L210 E211 S216 H217 | V209-L213 HydrophobicContact CG1-CD1 4.45Å; V209-L213 PolarHBondContact O-N 3.25Å; L210-L213 PolarHBondContact O-N 3.21Å; E211-L213 VanDerWaalsContact C-N 3.31Å; E211-L213 PolarHBondContact O-N 3.44Å; L213-S216 PolarHBondContact O-N 2.85Å; L213-S216 PolarHBondContact O-OG 3.15Å; L213-H217 PolarHBondContact O-N 2.92Å; L213-H217 PolarHBondContact O-ND1 3Å |
| 214 | D | 77.5 | Confident | 72.9 | Confident | 104 Ų | 104 | 103.9 Ų | 103.9 | 56% | 0.556 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61 | -46.5 | 177.3 | -169.4 | 64.4 | 0 | 0 | 0 | 111.1 | L210 E211 S216 H217 R218 | L210-D214 PolarHBondContact O-N 2.9Å; E211-D214 PolarHBondContact O-N 3.19Å; D214-S216 PolarHBondContact O-N 3.24Å; D214-H217 PolarHBondContact O-N 2.99Å; D214-H217 VanDerWaalsContact O-N 3.14Å; D214-R218 VanDerWaalsContact O-CB 3.26Å; D214-R218 WeakPolarHBondContact O-CB 3.47Å; D214-R218 PolarHBondContact O-N 2.75Å |
| 215 | D | 72.3 | Confident | 71.3 | Confident | 77 Ų | 77 | 104.3 Ų | 104.3 | 41% | 0.412 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.4 | -24.5 | 178.6 | -145.3 | 47.6 | 0 | 0 | 0 | 112.8 | E211 R219 | E211-D215 VanDerWaalsContact O-CB 3.3Å; E211-D215 WeakPolarHBondContact O-CB 3.4Å; E211-D215 PolarHBondContact O-N 2.97Å; D215-R219 PolarHBondContact O-N 3.34Å; D215-R219 PolarHBondContact O-NH1 3.18Å; D215-R219 VanDerWaalsContact O-NH1 3.07Å; D215-R219 IonicContact OD2-CZ 3.2Å; D215-R219 IonicContact OD2-NH1 3.67Å; D215-R219 PolarHBondContact OD2-NH1 3.22Å; D215-R219 IonicContact OD2-NH2 2.78Å |
| 216 | S | 69.8 | Low | 69.9 | Low | 55 Ų | 55 | 110 Ų | 110 | 39% | 0.385 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -77.9 | -45 | 169.7 | 75.8 | 0 | 0 | 0 | 0 | 112.8 | L212 L213 D214 R218 R219 T220 | L212-S216 WeakPolarHBondContact O-CB 3.47Å; L212-S216 PolarHBondContact O-N 3.44Å; L213-S216 PolarHBondContact O-N 2.85Å; L213-S216 PolarHBondContact O-OG 3.15Å; D214-S216 PolarHBondContact O-N 3.24Å; S216-R218 VanDerWaalsContact C-N 3.28Å; S216-R218 PolarHBondContact O-N 2.93Å; S216-R219 PolarHBondContact O-N 2.9Å; S216-T220 PolarHBondContact O-N 3.29Å; S216-T220 PolarHBondContact O-OG1 3.06Å |
| 217 | H | 65.9 | Low | 68.1 | Low | 118 Ų | 118 | 109.2 Ų | 109.2 | 55% | 0.546 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.1 | -41.1 | 177.7 | -77.6 | 83.1 | 0 | 0 | 0 | 110.5 | L213 D214 R219 T220 H221 | L213-H217 PolarHBondContact O-N 2.92Å; L213-H217 PolarHBondContact O-ND1 3Å; D214-H217 PolarHBondContact O-N 2.99Å; D214-H217 VanDerWaalsContact O-N 3.14Å; H217-R219 PolarHBondContact O-N 3.38Å; H217-T220 WeakPolarHBondContact CA-OG1 3.49Å; H217-T220 PolarHBondContact O-N 2.85Å; H217-T220 PolarHBondContact O-OG1 3.36Å; H217-H221 WeakPolarHBondContact O-CB 3.48Å; H217-H221 PolarHBondContact O-N 2.68Å |
| 218 | R | 61 | Low | 66.2 | Low | 168 Ų | 168 | 109.1 Ų | 109.1 | 63% | 0.634 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -67.4 | -31.1 | 179 | -164.2 | 172.9 | -178.1 | -171.6 | -0.1 | 113.2 | D214 S216 L222 | D214-R218 VanDerWaalsContact O-CB 3.26Å; D214-R218 WeakPolarHBondContact O-CB 3.47Å; D214-R218 PolarHBondContact O-N 2.75Å; S216-R218 VanDerWaalsContact C-N 3.28Å; S216-R218 PolarHBondContact O-N 2.93Å; R218-L222 WeakPolarHBondContact O-CG 3.08Å; R218-L222 PolarHBondContact O-N 3.36Å |
| 219 | R | 58.3 | Low | 64.5 | Low | 146 Ų | 146 | 112 Ų | 112 | 55% | 0.551 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -67.4 | -53.5 | 167 | -83.3 | -178 | -177.1 | 76.4 | -1.9 | 111.6 | D215 S216 H217 H221 L222 D223 | D215-R219 PolarHBondContact O-N 3.34Å; D215-R219 PolarHBondContact O-NH1 3.18Å; D215-R219 VanDerWaalsContact O-NH1 3.07Å; D215-R219 IonicContact OD2-CZ 3.2Å; D215-R219 IonicContact OD2-NH1 3.67Å; D215-R219 PolarHBondContact OD2-NH1 3.22Å; D215-R219 IonicContact OD2-NH2 2.78Å; S216-R219 PolarHBondContact O-N 2.9Å; H217-R219 PolarHBondContact O-N 3.38Å; R219-H221 PolarHBondContact O-N 3.03Å; R219-H221 VanDerWaalsContact O-N 3.16Å; R219-L222 WeakPolarHBondContact O-CA 3.46Å; R219-L222 WeakPolarHBondContact O-CB 3.35Å; R219-L222 PolarHBondContact O-N 3.46Å; R219-D223 PolarHBondContact O-N 3.04Å |
| 220 | T | 60 | Low | 62.8 | Low | 88 Ų | 88 | 112.5 Ų | 112.5 | 54% | 0.54 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -59.9 | -30.9 | -179.1 | 47.9 | 0 | 0 | 0 | 0 | 113 | S216 H217 L224 | S216-T220 PolarHBondContact O-N 3.29Å; S216-T220 PolarHBondContact O-OG1 3.06Å; H217-T220 WeakPolarHBondContact CA-OG1 3.49Å; H217-T220 PolarHBondContact O-N 2.85Å; H217-T220 PolarHBondContact O-OG1 3.36Å; T220-L224 WeakPolarHBondContact O-CB 3.29Å; T220-L224 PolarHBondContact O-N 3.36Å |
| 221 | H | 55.4 | Low | 61.2 | Low | 138 Ų | 138 | 113.2 Ų | 113.2 | 64% | 0.639 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -70.6 | -30.4 | 173.8 | -170.8 | -54.8 | 0 | 0 | 0 | 112.8 | H217 R219 A225 | H217-H221 WeakPolarHBondContact O-CB 3.48Å; H217-H221 PolarHBondContact O-N 2.68Å; R219-H221 PolarHBondContact O-N 3.03Å; R219-H221 VanDerWaalsContact O-N 3.16Å; H221-A225 VanDerWaalsContact O-CB 3.24Å; H221-A225 WeakPolarHBondContact O-CB 3.11Å; H221-A225 PolarHBondContact O-N 2.91Å |
| 222 | L | 59.2 | Low | 59.6 | Low | 111 Ų | 111 | 115 Ų | 115 | 58% | 0.581 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -77.1 | -40.4 | 176.4 | -75 | 167.1 | 0 | 0 | 0 | 111.8 | R218 R219 A225 | R218-L222 WeakPolarHBondContact O-CG 3.08Å; R218-L222 PolarHBondContact O-N 3.36Å; R219-L222 WeakPolarHBondContact O-CA 3.46Å; R219-L222 WeakPolarHBondContact O-CB 3.35Å; R219-L222 PolarHBondContact O-N 3.46Å; L222-A225 PolarHBondContact O-N 3.3Å |
| 223 | D | 50.5 | Low | 58.3 | Low | 113 Ų | 113 | 111.8 Ų | 111.8 | 60% | 0.604 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64 | -47 | 173 | -69.2 | -40 | 0 | 0 | 0 | 111.1 | R219 A225 L226 | R219-D223 PolarHBondContact O-N 3.04Å; D223-A225 PolarHBondContact O-N 3.45Å; D223-L226 PolarHBondContact O-N 2.71Å; D223-L226 VanDerWaalsContact O-N 3.1Å |
| 224 | L | 53 | Low | 57.3 | Low | 109 Ų | 109 | 109.7 Ų | 109.7 | 57% | 0.571 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63.3 | -27.5 | 179.2 | -174.8 | 62.7 | 0 | 0 | 0 | 113.1 | T220 L226 M228 | T220-L224 WeakPolarHBondContact O-CB 3.29Å; T220-L224 PolarHBondContact O-N 3.36Å; L224-L226 VanDerWaalsContact C-N 3.32Å; L224-M228 HydrophobicContact CD1-CB 4.49Å; L224-M228 HydrophobicContact CD1-CE 4.23Å; L224-M228 WeakPolarHBondContact O-CB 3.32Å |
| 225 | A | 49.8 | Very low | 56.3 | Low | 73 Ų | 73 | 111.3 Ų | 111.3 | 60% | 0.603 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -78 | -11.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | H221 L222 D223 | H221-A225 VanDerWaalsContact O-CB 3.24Å; H221-A225 WeakPolarHBondContact O-CB 3.11Å; H221-A225 PolarHBondContact O-N 2.91Å; L222-A225 PolarHBondContact O-N 3.3Å; D223-A225 PolarHBondContact O-N 3.45Å |
| 226 | L | 56.6 | Low | 55.8 | Low | 153 Ų | 153 | 112.3 Ų | 112.3 | 80% | 0.801 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -95.6 | -15.8 | -179.9 | -80.4 | 165.1 | 0 | 0 | 0 | 114.1 | D223 L224 | D223-L226 PolarHBondContact O-N 2.71Å; D223-L226 VanDerWaalsContact O-N 3.1Å; L224-L226 VanDerWaalsContact C-N 3.32Å |
| 227 | D | 48.6 | Very low | 56.1 | Low | 144 Ų | 144 | 114 Ų | 114 | 77% | 0.77 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -121.6 | -7.9 | -170 | -161 | 45.1 | 0 | 0 | 0 | 114.6 | ||
| 228 | M | 47 | Very low | 56.6 | Low | 86 Ų | 86 | 110.7 Ų | 110.7 | 42% | 0.424 | 60% | 0.598 | S | S | . | * | trans | -105.6 | 108.6 | -167.5 | -163 | 54.8 | 56.8 | 0 | 0 | 115.7 | L224 S233 | L224-M228 HydrophobicContact CD1-CB 4.49Å; L224-M228 HydrophobicContact CD1-CE 4.23Å; L224-M228 WeakPolarHBondContact O-CB 3.32Å; M228-S233 WeakPolarHBondContact SD-CB 3.4Å; M228-S233 PolarHBondContact SD-OG 3.08Å | ||
| 229 | N | 48.7 | Very low | 57.2 | Low | 127 Ų | 127 | 105 Ų | 105 | 68% | 0.679 | 58% | 0.584 | S | S | * | * | trans | -72.1 | 123.9 | 158.5 | -175 | -31.7 | 0 | 0 | 0 | 108.9 | D231 | N229-D231 PolarHBondContact O-N 2.94Š| ||
| 230 | P | 52.7 | Low | 58.1 | Low | 90 Ų | 90 | 100 Ų | 100 | 58% | 0.584 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -74 | -27.2 | -152.5 | 25.1 | -36 | 0 | 0 | 0 | 117.3 | ||
| 231 | D | 50.8 | Low | 59.3 | Low | 135 Ų | 135 | 100 Ų | 100 | 72% | 0.722 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -88.1 | -22.4 | -152.7 | -66.3 | -44.9 | 0 | 0 | 0 | 116.6 | N229 | N229-D231 PolarHBondContact O-N 2.94Å |
| 232 | E | 51.1 | Low | 60.5 | Low | 166 Ų | 166 | 102.4 Ų | 102.4 | 78% | 0.776 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -100.7 | -47.2 | -177.6 | -78.8 | -83 | 91.8 | 0 | 0 | 113.3 | G234 | E232-G234 PolarHBondContact O-N 3.35Å |
| 233 | S | 55.1 | Low | 61.6 | Low | 57 Ų | 57 | 106.1 Ų | 106.1 | 40% | 0.399 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.3 | -36.6 | -171.4 | -57 | 0 | 0 | 0 | 0 | 113.7 | M228 L235 V236 D237 | M228-S233 WeakPolarHBondContact SD-CB 3.4Å; M228-S233 PolarHBondContact SD-OG 3.08Å; S233-L235 VanDerWaalsContact C-N 3.28Å; S233-L235 PolarHBondContact O-N 3.14Å; S233-V236 PolarHBondContact O-N 3.3Å; S233-D237 PolarHBondContact O-N 2.81Å; S233-D237 VanDerWaalsContact O-N 3.07Å |
| 234 | G | 59.4 | Low | 63.3 | Low | 46 Ų | 46 | 106.8 Ų | 106.8 | 47% | 0.474 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.4 | -29.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | E232 A238 | E232-G234 PolarHBondContact O-N 3.35Å; G234-A238 VanDerWaalsContact O-CB 3.23Å; G234-A238 WeakPolarHBondContact O-CB 3.4Å; G234-A238 PolarHBondContact O-N 3.21Å |
| 235 | L | 57.4 | Low | 64.9 | Low | 137 Ų | 137 | 106.3 Ų | 106.3 | 72% | 0.717 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -76 | -37.8 | 179 | -171.8 | 141.4 | 0 | 0 | 0 | 111.8 | S233 S239 | S233-L235 VanDerWaalsContact C-N 3.28Å; S233-L235 PolarHBondContact O-N 3.14Å; L235-S239 WeakPolarHBondContact O-CB 3.47Å; L235-S239 PolarHBondContact O-N 2.88Å; L235-S239 VanDerWaalsContact O-N 3.15Å |
| 236 | V | 62.4 | Low | 66.6 | Low | 99 Ų | 99 | 107.7 Ų | 107.7 | 60% | 0.6 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.7 | -49.6 | 171.9 | 176.8 | 0 | 0 | 0 | 0 | 109.7 | S233 S239 S240 | S233-V236 PolarHBondContact O-N 3.3Å; V236-S239 WeakPolarHBondContact O-CB 3.44Å; V236-S239 PolarHBondContact O-N 3.42Å; V236-S239 PolarHBondContact O-OG 3.2Å; V236-S240 PolarHBondContact O-N 2.94Å |
| 237 | D | 74.7 | Confident | 68.2 | Low | 89 Ų | 89 | 106.9 Ų | 106.9 | 48% | 0.476 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.1 | -42.2 | -178.3 | -171.7 | 40.9 | 0 | 0 | 0 | 113 | S233 S239 S240 L241 | S233-D237 PolarHBondContact O-N 2.81Å; S233-D237 VanDerWaalsContact O-N 3.07Å; D237-S239 PolarHBondContact O-N 2.99Å; D237-S239 VanDerWaalsContact O-N 3.13Å; D237-S240 CarbonylContact O-C 3.52Å; D237-S240 WeakPolarHBondContact O-CA 3.43Å; D237-S240 VanDerWaalsContact O-CB 3.24Å; D237-S240 WeakPolarHBondContact O-CB 3.19Å; D237-S240 PolarHBondContact O-N 3.3Å; D237-S240 PolarHBondContact O-OG 3.45Å; D237-S240 PolarHBondContact OD1-OG 2.7Å; D237-L241 WeakPolarHBondContact O-CB 3.49Å; D237-L241 PolarHBondContact O-N 3.41Å |
| 238 | A | 76.9 | Confident | 70 | Confident | 49 Ų | 49 | 105.6 Ų | 105.6 | 41% | 0.405 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -57.1 | -32.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G234 R242 | G234-A238 VanDerWaalsContact O-CB 3.23Å; G234-A238 WeakPolarHBondContact O-CB 3.4Å; G234-A238 PolarHBondContact O-N 3.21Å; A238-R242 WeakPolarHBondContact O-CB 3.4Å; A238-R242 VanDerWaalsContact O-CG 3.25Å; A238-R242 WeakPolarHBondContact O-CG 3.33Å; A238-R242 PolarHBondContact O-N 3.06Å; A238-R242 VanDerWaalsContact O-N 3.14Å |
| 239 | S | 73.1 | Confident | 71.9 | Confident | 50 Ų | 50 | 105.9 Ų | 105.9 | 35% | 0.35 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -73.7 | -34.1 | 172.3 | 91.7 | 0 | 0 | 0 | 0 | 113 | L235 V236 D237 R243 | L235-S239 WeakPolarHBondContact O-CB 3.47Å; L235-S239 PolarHBondContact O-N 2.88Å; L235-S239 VanDerWaalsContact O-N 3.15Å; V236-S239 WeakPolarHBondContact O-CB 3.44Å; V236-S239 PolarHBondContact O-N 3.42Å; V236-S239 PolarHBondContact O-OG 3.2Å; D237-S239 PolarHBondContact O-N 2.99Å; D237-S239 VanDerWaalsContact O-N 3.13Å; S239-R243 WeakPolarHBondContact O-CD 3.5Å; S239-R243 VanDerWaalsContact O-CG 3.27Å; S239-R243 WeakPolarHBondContact O-CG 3.48Å; S239-R243 PolarHBondContact O-N 3.18Å |
| 240 | S | 77.6 | Confident | 73.6 | Confident | 39 Ų | 39 | 108.9 Ų | 108.9 | 27% | 0.273 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.5 | -51.7 | 174 | 122.2 | 0 | 0 | 0 | 0 | 110.3 | V236 D237 R242 R243 Q244 | V236-S240 PolarHBondContact O-N 2.94Å; D237-S240 CarbonylContact O-C 3.52Å; D237-S240 WeakPolarHBondContact O-CA 3.43Å; D237-S240 VanDerWaalsContact O-CB 3.24Å; D237-S240 WeakPolarHBondContact O-CB 3.19Å; D237-S240 PolarHBondContact O-N 3.3Å; D237-S240 PolarHBondContact O-OG 3.45Å; D237-S240 PolarHBondContact OD1-OG 2.7Å; S240-R242 PolarHBondContact O-N 3.43Å; S240-R243 CarbonylContact O-C 3.58Å; S240-R243 WeakPolarHBondContact O-CA 3.42Å; S240-R243 WeakPolarHBondContact O-CB 3.42Å; S240-R243 PolarHBondContact O-N 3.05Å; S240-Q244 PolarHBondContact O-N 2.83Å |
| 241 | L | 85.4 | Confident | 75.4 | Confident | 88 Ų | 88 | 112.5 Ų | 112.5 | 46% | 0.461 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.7 | -39.8 | -177.5 | -175.5 | 143.1 | 0 | 0 | 0 | 111.5 | D237 R243 Q244 I245 | D237-L241 WeakPolarHBondContact O-CB 3.49Å; D237-L241 PolarHBondContact O-N 3.41Å; L241-R243 VanDerWaalsContact C-N 3.34Å; L241-R243 PolarHBondContact O-N 3.37Å; L241-Q244 PolarHBondContact O-N 3.39Å; L241-I245 HydrophobicContact CD2-CD1 3.58Å; L241-I245 HydrophobicContact CD2-CG1 4.4Å; L241-I245 HydrophobicContact CG-CD1 4.46Å; L241-I245 WeakPolarHBondContact O-CG1 3.45Å; L241-I245 PolarHBondContact O-N 3Å |
| 242 | R | 80.1 | Confident | 77.1 | Confident | 189 Ų | 189 | 109.9 Ų | 109.9 | 71% | 0.713 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -59.4 | -41.1 | 169.9 | -77 | 175 | -179.3 | -162.5 | 1.8 | 112.6 | A238 S240 V246 | A238-R242 WeakPolarHBondContact O-CB 3.4Å; A238-R242 VanDerWaalsContact O-CG 3.25Å; A238-R242 WeakPolarHBondContact O-CG 3.33Å; A238-R242 PolarHBondContact O-N 3.06Å; A238-R242 VanDerWaalsContact O-N 3.14Å; S240-R242 PolarHBondContact O-N 3.43Å; R242-V246 WeakPolarHBondContact O-CG2 3.43Å; R242-V246 PolarHBondContact O-N 3.24Å; R242-V246 VanDerWaalsContact O-N 3.15Å |
| 243 | R | 81.9 | Confident | 78.6 | Confident | 189 Ų | 189 | 106.7 Ų | 106.7 | 71% | 0.713 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68.7 | -37.1 | 175.5 | -66.5 | 166.4 | -170.5 | -117.9 | 5.5 | 111.7 | S239 S240 L241 K247 | S239-R243 WeakPolarHBondContact O-CD 3.5Å; S239-R243 VanDerWaalsContact O-CG 3.27Å; S239-R243 WeakPolarHBondContact O-CG 3.48Å; S239-R243 PolarHBondContact O-N 3.18Å; S240-R243 CarbonylContact O-C 3.58Å; S240-R243 WeakPolarHBondContact O-CA 3.42Å; S240-R243 WeakPolarHBondContact O-CB 3.42Å; S240-R243 PolarHBondContact O-N 3.05Å; L241-R243 VanDerWaalsContact C-N 3.34Å; L241-R243 PolarHBondContact O-N 3.37Å; R243-K247 VanDerWaalsContact O-CB 3.32Å; R243-K247 WeakPolarHBondContact O-CB 3.47Å; R243-K247 PolarHBondContact O-N 3.41Å |
| 244 | Q | 87.7 | Confident | 79.7 | Confident | 128 Ų | 128 | 108.9 Ų | 108.9 | 60% | 0.598 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.5 | -47.6 | 173.3 | -68.8 | -163.2 | 23.8 | 0 | 0 | 111.7 | S240 L241 V246 K247 L248 | S240-Q244 PolarHBondContact O-N 2.83Å; L241-Q244 PolarHBondContact O-N 3.39Å; Q244-V246 VanDerWaalsContact C-N 3.34Å; Q244-V246 PolarHBondContact O-N 3.08Å; Q244-K247 CarbonylContact O-C 3.57Å; Q244-K247 PolarHBondContact O-N 3.2Å; Q244-K247 VanDerWaalsContact O-N 3.11Å; Q244-L248 WeakPolarHBondContact O-CB 3.27Å; Q244-L248 PolarHBondContact O-N 2.84Å |
| 245 | I | 86.4 | Confident | 80.7 | Confident | 98 Ų | 98 | 111.7 Ų | 111.7 | 50% | 0.503 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -55.7 | -48.2 | 177.1 | -71.7 | 169.5 | 0 | 0 | 0 | 110.7 | L241 K247 L248 N249 | L241-I245 HydrophobicContact CD2-CD1 3.58Å; L241-I245 HydrophobicContact CD2-CG1 4.4Å; L241-I245 HydrophobicContact CG-CD1 4.46Å; L241-I245 WeakPolarHBondContact O-CG1 3.45Å; L241-I245 PolarHBondContact O-N 3Å; I245-K247 PolarHBondContact O-N 3.4Å; I245-L248 PolarHBondContact O-N 3.21Å; I245-N249 WeakPolarHBondContact O-CB 3.33Å; I245-N249 PolarHBondContact O-N 3.48Å |
| 246 | V | 86.1 | Confident | 82 | Confident | 102 Ų | 102 | 110.6 Ų | 110.6 | 62% | 0.618 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.2 | -40.2 | 177.6 | 173 | 0 | 0 | 0 | 0 | 111.9 | R242 Q244 R250 | R242-V246 WeakPolarHBondContact O-CG2 3.43Å; R242-V246 PolarHBondContact O-N 3.24Å; R242-V246 VanDerWaalsContact O-N 3.15Å; Q244-V246 VanDerWaalsContact C-N 3.34Å; Q244-V246 PolarHBondContact O-N 3.08Å; V246-R250 WeakPolarHBondContact O-CB 3.25Å; V246-R250 PolarHBondContact O-N 2.81Å |
| 247 | K | 88.6 | Confident | 82.6 | Confident | 137 Ų | 137 | 110.5 Ų | 110.5 | 60% | 0.596 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.6 | -35.9 | 177.4 | -174.1 | 178.3 | -178.2 | 179.9 | 0 | 112.7 | R243 Q244 I245 R251 | R243-K247 VanDerWaalsContact O-CB 3.32Å; R243-K247 WeakPolarHBondContact O-CB 3.47Å; R243-K247 PolarHBondContact O-N 3.41Å; Q244-K247 CarbonylContact O-C 3.57Å; Q244-K247 PolarHBondContact O-N 3.2Å; Q244-K247 VanDerWaalsContact O-N 3.11Å; I245-K247 PolarHBondContact O-N 3.4Å; K247-R251 WeakPolarHBondContact O-CG 3.3Å; K247-R251 PolarHBondContact O-N 2.85Å |
| 248 | L | 86.3 | Confident | 82.4 | Confident | 116 Ų | 116 | 110.6 Ų | 110.6 | 61% | 0.607 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -76.1 | -45.7 | 178.7 | -162.6 | 161.2 | 0 | 0 | 0 | 110.3 | Q244 I245 R250 R251 L252 | Q244-L248 WeakPolarHBondContact O-CB 3.27Å; Q244-L248 PolarHBondContact O-N 2.84Å; I245-L248 PolarHBondContact O-N 3.21Å; L248-R250 VanDerWaalsContact C-N 3.35Å; L248-R250 PolarHBondContact O-N 2.87Å; L248-R251 CarbonylContact O-C 3.58Å; L248-R251 WeakPolarHBondContact O-CA 3.38Å; L248-R251 WeakPolarHBondContact O-CB 3.45Å; L248-R251 PolarHBondContact O-N 3.14Å; L248-L252 WeakPolarHBondContact O-CB 3.34Å; L248-L252 PolarHBondContact O-N 3.29Å |
| 249 | N | 87.6 | Confident | 82.5 | Confident | 93 Ų | 93 | 112.9 Ų | 112.9 | 50% | 0.497 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.1 | -42.3 | 175.7 | -163.5 | -17.1 | 0 | 0 | 0 | 111.4 | I245 R251 L252 Q253 | I245-N249 WeakPolarHBondContact O-CB 3.33Å; I245-N249 PolarHBondContact O-N 3.48Å; N249-R251 VanDerWaalsContact C-N 3.28Å; N249-R251 PolarHBondContact O-N 2.95Å; N249-L252 WeakPolarHBondContact O-CB 3.27Å; N249-L252 PolarHBondContact O-N 3.23Å; N249-Q253 WeakPolarHBondContact O-CB 3.39Å; N249-Q253 PolarHBondContact O-N 3.25Å |
| 250 | R | 85.1 | Confident | 82.9 | Confident | 189 Ų | 189 | 116.7 Ų | 116.7 | 71% | 0.713 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.1 | -29.6 | 172.9 | -172.7 | 172.9 | -179.9 | 178.2 | 0.9 | 113.9 | V246 L248 L254 | V246-R250 WeakPolarHBondContact O-CB 3.25Å; V246-R250 PolarHBondContact O-N 2.81Å; L248-R250 VanDerWaalsContact C-N 3.35Å; L248-R250 PolarHBondContact O-N 2.87Å; R250-L254 WeakPolarHBondContact O-CG 3.33Å; R250-L254 PolarHBondContact O-N 3.39Å |
| 251 | R | 89.4 | Confident | 82.6 | Confident | 167 Ų | 167 | 120 Ų | 120 | 63% | 0.63 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -76.2 | -41.4 | 172.7 | -76.5 | 171.6 | 164.8 | -169.6 | -8 | 111.6 | K247 L248 N249 L254 L255 | K247-R251 WeakPolarHBondContact O-CG 3.3Å; K247-R251 PolarHBondContact O-N 2.85Å; L248-R251 CarbonylContact O-C 3.58Å; L248-R251 WeakPolarHBondContact O-CA 3.38Å; L248-R251 WeakPolarHBondContact O-CB 3.45Å; L248-R251 PolarHBondContact O-N 3.14Å; N249-R251 VanDerWaalsContact C-N 3.28Å; N249-R251 PolarHBondContact O-N 2.95Å; R251-L254 PolarHBondContact O-N 2.95Å; R251-L255 WeakPolarHBondContact O-CG 3.44Å; R251-L255 PolarHBondContact O-N 2.92Å; R251-L255 VanDerWaalsContact O-N 3.07Å |
| 252 | L | 86.6 | Confident | 81.8 | Confident | 80 Ų | 80 | 122 Ų | 122 | 42% | 0.419 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -59.8 | -48 | 176 | -178.8 | 65.2 | 0 | 0 | 0 | 110.7 | L248 N249 L254 L255 E256 | L248-L252 WeakPolarHBondContact O-CB 3.34Å; L248-L252 PolarHBondContact O-N 3.29Å; N249-L252 WeakPolarHBondContact O-CB 3.27Å; N249-L252 PolarHBondContact O-N 3.23Å; L252-L254 VanDerWaalsContact C-N 3.33Å; L252-L254 PolarHBondContact O-N 3.32Å; L252-L255 CarbonylContact O-C 3.54Å; L252-L255 WeakPolarHBondContact O-CA 3.32Å; L252-L255 WeakPolarHBondContact O-CB 3.21Å; L252-L255 PolarHBondContact O-N 3.49Å; L252-E256 HydrophobicContact CG-CG 4.48Å; L252-E256 WeakPolarHBondContact O-CG 3.24Å; L252-E256 PolarHBondContact O-N 3.02Å |
| 253 | Q | 83.9 | Confident | 81.8 | Confident | 98 Ų | 98 | 115.3 Ų | 115.3 | 46% | 0.458 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -58.9 | -41.2 | 178 | -172.3 | -177.5 | -16.8 | 0 | 0 | 112.5 | N249 E256 E257 | N249-Q253 WeakPolarHBondContact O-CB 3.39Å; N249-Q253 PolarHBondContact O-N 3.25Å; Q253-E256 PolarHBondContact O-N 3.24Å; Q253-E257 WeakPolarHBondContact CG-OE1 3.27Å; Q253-E257 PolarHBondContact NE2-OE1 3.16Å; Q253-E257 WeakPolarHBondContact O-CB 3.13Å; Q253-E257 WeakPolarHBondContact O-CG 3.29Å; Q253-E257 PolarHBondContact O-N 2.94Å |
| 254 | L | 77.4 | Confident | 81.8 | Confident | 104 Ų | 104 | 112 Ų | 112 | 55% | 0.545 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.7 | -38.7 | 174.6 | -71.9 | 170.3 | 0 | 0 | 0 | 112.1 | R250 R251 L252 E257 E258 | R250-L254 WeakPolarHBondContact O-CG 3.33Å; R250-L254 PolarHBondContact O-N 3.39Å; R251-L254 PolarHBondContact O-N 2.95Å; L252-L254 VanDerWaalsContact C-N 3.33Å; L252-L254 PolarHBondContact O-N 3.32Å; L254-E257 PolarHBondContact O-N 3.2Å; L254-E258 WeakPolarHBondContact O-CB 3.38Å; L254-E258 PolarHBondContact O-N 3.26Å |
| 255 | L | 81.2 | Confident | 81.7 | Confident | 105 Ų | 105 | 113.7 Ų | 113.7 | 55% | 0.55 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.3 | -34.6 | 174.6 | -69.9 | 170.2 | 0 | 0 | 0 | 112.4 | R251 L252 N259 | R251-L255 WeakPolarHBondContact O-CG 3.44Å; R251-L255 PolarHBondContact O-N 2.92Å; R251-L255 VanDerWaalsContact O-N 3.07Å; L252-L255 CarbonylContact O-C 3.54Å; L252-L255 WeakPolarHBondContact O-CA 3.32Å; L252-L255 WeakPolarHBondContact O-CB 3.21Å; L252-L255 PolarHBondContact O-N 3.49Å; L255-N259 WeakPolarHBondContact O-CB 3.38Å; L255-N259 PolarHBondContact O-N 2.93Å |
| 256 | E | 83.3 | Confident | 81.9 | Confident | 113 Ų | 113 | 113.1 Ų | 113.1 | 53% | 0.528 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.8 | -34.6 | 172.7 | -74.2 | -179 | -171.6 | 0 | 0 | 112.3 | L252 Q253 K260 | L252-E256 HydrophobicContact CG-CG 4.48Å; L252-E256 WeakPolarHBondContact O-CG 3.24Å; L252-E256 PolarHBondContact O-N 3.02Å; Q253-E256 PolarHBondContact O-N 3.24Å; E256-K260 VanDerWaalsContact O-CA 3.29Å; E256-K260 WeakPolarHBondContact O-CA 3.26Å; E256-K260 PolarHBondContact O-N 2.91Å |
| 257 | E | 76.1 | Confident | 82.2 | Confident | 97 Ų | 97 | 112.6 Ų | 112.6 | 45% | 0.453 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70.9 | -44.5 | 173.7 | -74.3 | 169.7 | -165.8 | 0 | 0 | 111.1 | Q253 L254 K260 E261 | Q253-E257 WeakPolarHBondContact CG-OE1 3.27Å; Q253-E257 PolarHBondContact NE2-OE1 3.16Å; Q253-E257 WeakPolarHBondContact O-CB 3.13Å; Q253-E257 WeakPolarHBondContact O-CG 3.29Å; Q253-E257 PolarHBondContact O-N 2.94Å; L254-E257 PolarHBondContact O-N 3.2Å; E257-K260 CarbonylContact O-C 3.52Å; E257-K260 VanDerWaalsContact O-CA 3.23Å; E257-K260 WeakPolarHBondContact O-CA 3.42Å; E257-K260 PolarHBondContact O-N 2.78Å; E257-E261 PolarHBondContact O-N 2.64Å; E257-E261 VanDerWaalsContact O-N 3.12Å |
| 258 | E | 70.4 | Confident | 82.3 | Confident | 91 Ų | 91 | 110.6 Ų | 110.6 | 43% | 0.425 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.3 | -46.2 | 176.2 | -169.2 | -171.5 | 148 | 0 | 0 | 112.4 | L254 K260 E261 R262 | L254-E258 WeakPolarHBondContact O-CB 3.38Å; L254-E258 PolarHBondContact O-N 3.26Å; E258-K260 VanDerWaalsContact C-N 3.28Å; E258-K260 PolarHBondContact O-N 3.04Å; E258-E261 PolarHBondContact O-N 3.04Å; E258-R262 PolarHBondContact O-N 3.29Å; E258-R262 IonicContact OE1-CZ 2.87Å; E258-R262 IonicContact OE1-NH1 3.85Å; E258-R262 PolarHBondContact OE1-NH1 3.44Å; E258-R262 IonicContact OE1-NH2 3.9Å; E258-R262 PolarHBondContact OE1-NH2 3.43Å |
| 259 | N | 78.8 | Confident | 82.7 | Confident | 97 Ų | 97 | 110.6 Ų | 110.6 | 52% | 0.519 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.3 | -37.7 | 172.4 | -167.2 | -1.6 | 0 | 0 | 0 | 110.6 | L255 E261 R262 S263 | L255-N259 WeakPolarHBondContact O-CB 3.38Å; L255-N259 PolarHBondContact O-N 2.93Å; N259-E261 PolarHBondContact O-N 3.01Å; N259-E261 VanDerWaalsContact O-N 3.12Å; N259-R262 PolarHBondContact O-N 2.87Å; N259-R262 VanDerWaalsContact O-N 3.09Å; N259-S263 WeakPolarHBondContact O-CB 3.5Å; N259-S263 PolarHBondContact O-N 3.31Å |
| 260 | K | 80.6 | Confident | 83.1 | Confident | 131 Ų | 131 | 113.9 Ų | 113.9 | 57% | 0.57 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -40.6 | -40.4 | 162.5 | 154.1 | -77.5 | -169.6 | 168.7 | 0 | 113.4 | E256 E257 E258 K264 | E256-K260 VanDerWaalsContact O-CA 3.29Å; E256-K260 WeakPolarHBondContact O-CA 3.26Å; E256-K260 PolarHBondContact O-N 2.91Å; E257-K260 CarbonylContact O-C 3.52Å; E257-K260 VanDerWaalsContact O-CA 3.23Å; E257-K260 WeakPolarHBondContact O-CA 3.42Å; E257-K260 PolarHBondContact O-N 2.78Å; E258-K260 VanDerWaalsContact C-N 3.28Å; E258-K260 PolarHBondContact O-N 3.04Å; K260-K264 WeakPolarHBondContact O-CD 3.31Å; K260-K264 WeakPolarHBondContact O-CE 3.4Å; K260-K264 WeakPolarHBondContact O-CG 3.38Å |
| 261 | E | 72.1 | Confident | 83.6 | Confident | 107 Ų | 107 | 108.1 Ų | 108.1 | 50% | 0.5 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -90.3 | -26.5 | -179.6 | -60.8 | -148.3 | 152.9 | 0 | 0 | 115.1 | E257 E258 N259 R265 | E257-E261 PolarHBondContact O-N 2.64Å; E257-E261 VanDerWaalsContact O-N 3.12Å; E258-E261 PolarHBondContact O-N 3.04Å; N259-E261 PolarHBondContact O-N 3.01Å; N259-E261 VanDerWaalsContact O-N 3.12Å; E261-R265 WeakPolarHBondContact O-CD 3.43Å; E261-R265 WeakPolarHBondContact O-CG 3.42Å; E261-R265 PolarHBondContact O-NE 3.16Å; E261-R265 IonicContact OE2-NH2 3.94Å |
| 262 | R | 69.1 | Low | 83.9 | Confident | 132 Ų | 132 | 102.9 Ų | 102.9 | 50% | 0.498 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -72.4 | -54.1 | 171.7 | -67.1 | -168 | 177.7 | 98 | 10.6 | 111.1 | E258 N259 K264 R265 E266 | E258-R262 PolarHBondContact O-N 3.29Å; E258-R262 IonicContact OE1-CZ 2.87Å; E258-R262 IonicContact OE1-NH1 3.85Å; E258-R262 PolarHBondContact OE1-NH1 3.44Å; E258-R262 IonicContact OE1-NH2 3.9Å; E258-R262 PolarHBondContact OE1-NH2 3.43Å; N259-R262 PolarHBondContact O-N 2.87Å; N259-R262 VanDerWaalsContact O-N 3.09Å; R262-K264 VanDerWaalsContact C-N 3.28Å; R262-K264 PolarHBondContact O-N 3.07Å; R262-R265 WeakPolarHBondContact O-CA 3.44Å; R262-R265 WeakPolarHBondContact O-CB 3.41Å; R262-R265 PolarHBondContact O-N 3.1Å; R262-E266 PolarHBondContact O-N 3.24Å; R262-E266 VanDerWaalsContact O-N 3.08Å |
| 263 | S | 80.2 | Confident | 84.4 | Confident | 47 Ų | 47 | 103 Ų | 103 | 33% | 0.329 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -56.8 | -37.4 | -179 | -178 | 0 | 0 | 0 | 0 | 112.9 | N259 R265 E266 V267 | N259-S263 WeakPolarHBondContact O-CB 3.5Å; N259-S263 PolarHBondContact O-N 3.31Å; S263-R265 VanDerWaalsContact C-N 3.33Å; S263-R265 PolarHBondContact O-N 3.05Å; S263-E266 PolarHBondContact O-N 3.39Å; S263-V267 WeakPolarHBondContact O-CB 3.23Å; S263-V267 VanDerWaalsContact O-CG2 3.26Å; S263-V267 WeakPolarHBondContact O-CG2 3.21Å; S263-V267 PolarHBondContact O-N 3.21Å |
| 264 | K | 80.3 | Confident | 85.1 | Confident | 119 Ų | 119 | 102.4 Ų | 102.4 | 52% | 0.517 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -56.8 | -43.1 | 171.9 | -78.7 | 168 | -167 | 162.7 | 0 | 112.9 | K260 R262 V268 | K260-K264 WeakPolarHBondContact O-CD 3.31Å; K260-K264 WeakPolarHBondContact O-CE 3.4Å; K260-K264 WeakPolarHBondContact O-CG 3.38Å; R262-K264 VanDerWaalsContact C-N 3.28Å; R262-K264 PolarHBondContact O-N 3.07Å; K264-V268 WeakPolarHBondContact O-CG2 3.41Å; K264-V268 PolarHBondContact O-N 2.99Å; K264-V268 VanDerWaalsContact O-N 3.15Å |
| 265 | R | 86.9 | Confident | 86 | Confident | 165 Ų | 165 | 99.5 Ų | 99.5 | 62% | 0.623 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -70.5 | -42.5 | -178.8 | -60.4 | 170 | -160.5 | -151.1 | 2.9 | 110.2 | E261 R262 S263 V268 L269 | E261-R265 WeakPolarHBondContact O-CD 3.43Å; E261-R265 WeakPolarHBondContact O-CG 3.42Å; E261-R265 PolarHBondContact O-NE 3.16Å; E261-R265 IonicContact OE2-NH2 3.94Å; R262-R265 WeakPolarHBondContact O-CA 3.44Å; R262-R265 WeakPolarHBondContact O-CB 3.41Å; R262-R265 PolarHBondContact O-N 3.1Å; S263-R265 VanDerWaalsContact C-N 3.33Å; S263-R265 PolarHBondContact O-N 3.05Å; R265-V268 PolarHBondContact O-N 2.89Å; R265-L269 WeakPolarHBondContact O-CG 3.47Å; R265-L269 PolarHBondContact O-N 3.37Å |
| 266 | E | 89.5 | Confident | 86.7 | Confident | 86 Ų | 86 | 101 Ų | 101 | 40% | 0.402 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.5 | -47.9 | 175.8 | -70.2 | 157.2 | -157.3 | 0 | 0 | 111.7 | R262 S263 V268 L269 Y270 | R262-E266 PolarHBondContact O-N 3.24Å; R262-E266 VanDerWaalsContact O-N 3.08Å; S263-E266 PolarHBondContact O-N 3.39Å; E266-V268 VanDerWaalsContact C-N 3.31Å; E266-V268 PolarHBondContact O-N 3.01Å; E266-L269 PolarHBondContact O-N 3.28Å; E266-L269 VanDerWaalsContact O-N 3.11Å; E266-Y270 HydrophobicContact CB-CD2 4.21Å; E266-Y270 HydrophobicContact CB-CE2 4Å; E266-Y270 WeakPolarHBondContact O-CD2 3.45Å; E266-Y270 PolarHBondContact O-N 3.26Å |
| 267 | V | 92.1 | Very high | 87.4 | Confident | 90 Ų | 90 | 104.4 Ų | 104.4 | 55% | 0.545 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.4 | -38.8 | 176.6 | 169.2 | 0 | 0 | 0 | 0 | 111.8 | S263 S271 | S263-V267 WeakPolarHBondContact O-CB 3.23Å; S263-V267 VanDerWaalsContact O-CG2 3.26Å; S263-V267 WeakPolarHBondContact O-CG2 3.21Å; S263-V267 PolarHBondContact O-N 3.21Å; V267-S271 VanDerWaalsContact O-CB 3.28Å; V267-S271 WeakPolarHBondContact O-CB 3.38Å; V267-S271 PolarHBondContact O-N 2.56Å; V267-S271 PolarHBondContact O-OG 3.19Å |
| 268 | V | 91.3 | Very high | 88.4 | Confident | 96 Ų | 96 | 105.4 Ų | 105.4 | 58% | 0.582 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.9 | -42.8 | 173.4 | 169.7 | 0 | 0 | 0 | 0 | 111.4 | K264 R265 E266 S271 A272 | K264-V268 WeakPolarHBondContact O-CG2 3.41Å; K264-V268 PolarHBondContact O-N 2.99Å; K264-V268 VanDerWaalsContact O-N 3.15Å; R265-V268 PolarHBondContact O-N 2.89Å; E266-V268 VanDerWaalsContact C-N 3.31Å; E266-V268 PolarHBondContact O-N 3.01Å; V268-S271 WeakPolarHBondContact CA-OG 3.15Å; V268-S271 PolarHBondContact O-OG 2.82Å; V268-S271 VanDerWaalsContact O-OG 3.1Å; V268-A272 VanDerWaalsContact O-CB 3.26Å; V268-A272 WeakPolarHBondContact O-CB 3.36Å; V268-A272 PolarHBondContact O-N 2.91Å |
| 269 | L | 93.8 | Very high | 89.5 | Confident | 116 Ų | 116 | 105.9 Ų | 105.9 | 61% | 0.607 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.4 | -46 | 178.3 | -72.5 | 168.5 | 0 | 0 | 0 | 112.3 | R265 E266 A272 T273 | R265-L269 WeakPolarHBondContact O-CG 3.47Å; R265-L269 PolarHBondContact O-N 3.37Å; E266-L269 PolarHBondContact O-N 3.28Å; E266-L269 VanDerWaalsContact O-N 3.11Å; L269-A272 PolarHBondContact O-N 3.14Å; L269-T273 WeakPolarHBondContact O-CG2 3.26Å; L269-T273 PolarHBondContact O-N 3.36Å; L269-T273 PolarHBondContact O-OG1 2.91Å |
| 270 | Y | 96.1 | Very high | 90.3 | Very high | 161 Ų | 161 | 105.7 Ų | 105.7 | 63% | 0.631 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.7 | -38.6 | 178.1 | -67.9 | -54.7 | 0 | 0 | 0 | 112.5 | E266 A272 T273 V274 | E266-Y270 HydrophobicContact CB-CD2 4.21Å; E266-Y270 HydrophobicContact CB-CE2 4Å; E266-Y270 WeakPolarHBondContact O-CD2 3.45Å; E266-Y270 PolarHBondContact O-N 3.26Å; Y270-A272 VanDerWaalsContact C-N 3.34Å; Y270-T273 PolarHBondContact O-N 3.38Å; Y270-T273 PolarHBondContact O-OG1 2.79Å; Y270-V274 WeakPolarHBondContact O-CB 3.45Å; Y270-V274 VanDerWaalsContact O-CG2 3.28Å; Y270-V274 WeakPolarHBondContact O-CG2 3.37Å; Y270-V274 PolarHBondContact O-N 3.23Å |
| 271 | S | 96 | Very high | 91.1 | Very high | 68 Ų | 68 | 102.6 Ų | 102.6 | 48% | 0.476 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.7 | -36.4 | 173.6 | 55.1 | 0 | 0 | 0 | 0 | 111.9 | V267 V268 A275 | V267-S271 VanDerWaalsContact O-CB 3.28Å; V267-S271 WeakPolarHBondContact O-CB 3.38Å; V267-S271 PolarHBondContact O-N 2.56Å; V267-S271 PolarHBondContact O-OG 3.19Å; V268-S271 WeakPolarHBondContact CA-OG 3.15Å; V268-S271 PolarHBondContact O-OG 2.82Å; V268-S271 VanDerWaalsContact O-OG 3.1Å; S271-A275 WeakPolarHBondContact O-CB 3.35Å; S271-A275 PolarHBondContact O-N 3.02Å |
| 272 | A | 96.4 | Very high | 92.2 | Very high | 58 Ų | 58 | 105.8 Ų | 105.8 | 48% | 0.479 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.7 | -42.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V268 L269 Y270 A275 F276 | V268-A272 VanDerWaalsContact O-CB 3.26Å; V268-A272 WeakPolarHBondContact O-CB 3.36Å; V268-A272 PolarHBondContact O-N 2.91Å; L269-A272 PolarHBondContact O-N 3.14Å; Y270-A272 VanDerWaalsContact C-N 3.34Å; A272-A275 PolarHBondContact O-N 3.25Å; A272-F276 WeakPolarHBondContact O-CB 3.36Å; A272-F276 PolarHBondContact O-N 2.89Å |
| 273 | T | 97.1 | Very high | 93.5 | Very high | 81 Ų | 81 | 104.6 Ų | 104.6 | 50% | 0.497 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69.8 | -39.4 | 178.2 | 54.4 | 0 | 0 | 0 | 0 | 112.4 | L269 Y270 F276 W277 | L269-T273 WeakPolarHBondContact O-CG2 3.26Å; L269-T273 PolarHBondContact O-N 3.36Å; L269-T273 PolarHBondContact O-OG1 2.91Å; Y270-T273 PolarHBondContact O-N 3.38Å; Y270-T273 PolarHBondContact O-OG1 2.79Å; T273-F276 PolarHBondContact O-N 2.78Å; T273-W277 PolarHBondContact O-N 2.86Å |
| 274 | V | 97.4 | Very high | 94.1 | Very high | 86 Ų | 86 | 111.7 Ų | 111.7 | 52% | 0.521 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.2 | -44.1 | 173.2 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | Y270 F276 W277 L278 | Y270-V274 WeakPolarHBondContact O-CB 3.45Å; Y270-V274 VanDerWaalsContact O-CG2 3.28Å; Y270-V274 WeakPolarHBondContact O-CG2 3.37Å; Y270-V274 PolarHBondContact O-N 3.23Å; V274-F276 PolarHBondContact O-N 2.76Å; V274-W277 PolarHBondContact O-N 2.79Å; V274-L278 HydrophobicContact CG1-CD1 3.88Å; V274-L278 HydrophobicContact CG1-CG 4.32Å; V274-L278 WeakPolarHBondContact O-CG 3.4Å; V274-L278 PolarHBondContact O-N 3.28Å |
| 275 | A | 96.8 | Very high | 94.8 | Very high | 43 Ų | 43 | 111.9 Ų | 111.9 | 36% | 0.355 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.3 | -42.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S271 A272 W277 L278 I279 | S271-A275 WeakPolarHBondContact O-CB 3.35Å; S271-A275 PolarHBondContact O-N 3.02Å; A272-A275 PolarHBondContact O-N 3.25Å; A275-W277 PolarHBondContact O-N 2.72Å; A275-L278 PolarHBondContact O-N 2.77Å; A275-I279 WeakPolarHBondContact O-CB 3.47Å; A275-I279 WeakPolarHBondContact O-CD1 3.44Å; A275-I279 WeakPolarHBondContact O-CG1 3.3Å; A275-I279 PolarHBondContact O-N 2.82Å |
| 276 | F | 96.8 | Very high | 94.9 | Very high | 138 Ų | 138 | 114.2 Ų | 114.2 | 61% | 0.605 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -58.5 | -46.2 | 173.7 | 174.7 | -96.6 | 0 | 0 | 0 | 111.8 | A272 T273 V274 I279 N280 | A272-F276 WeakPolarHBondContact O-CB 3.36Å; A272-F276 PolarHBondContact O-N 2.89Å; T273-F276 PolarHBondContact O-N 2.78Å; V274-F276 PolarHBondContact O-N 2.76Å; F276-I279 PolarHBondContact O-N 2.98Å; F276-N280 WeakPolarHBondContact O-CB 3.5Å; F276-N280 PolarHBondContact O-N 3.42Å |
| 277 | W | 96.9 | Very high | 94.4 | Very high | 184 Ų | 184 | 123.4 Ų | 123.4 | 70% | 0.697 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -59.9 | -50.8 | 176 | -115.7 | 90.2 | 0 | 0 | 0 | 111.9 | T273 V274 A275 I279 N280 T281 | T273-W277 PolarHBondContact O-N 2.86Å; V274-W277 PolarHBondContact O-N 2.79Å; A275-W277 PolarHBondContact O-N 2.72Å; W277-I279 PolarHBondContact O-N 3.35Å; W277-N280 PolarHBondContact O-N 2.99Å; W277-T281 PolarHBondContact O-N 3.09Å; W277-T281 PolarHBondContact O-OG1 3.03Å; W277-T281 VanDerWaalsContact O-OG1 3.09Å |
| 278 | L | 96.9 | Very high | 94.5 | Very high | 117 Ų | 117 | 125.1 Ų | 125.1 | 61% | 0.613 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -60 | -42.7 | 179.5 | -70.9 | 172 | 0 | 0 | 0 | 112.2 | V274 A275 W282 | V274-L278 HydrophobicContact CG1-CD1 3.88Å; V274-L278 HydrophobicContact CG1-CG 4.32Å; V274-L278 WeakPolarHBondContact O-CG 3.4Å; V274-L278 PolarHBondContact O-N 3.28Å; A275-L278 PolarHBondContact O-N 2.77Å; L278-W282 WeakPolarHBondContact O-CB 3.19Å; L278-W282 PolarHBondContact O-N 3.42Å |
| 279 | I | 95.6 | Very high | 94.7 | Very high | 101 Ų | 101 | 126.6 Ų | 126.6 | 52% | 0.518 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -62.9 | -44.6 | 176.1 | -70.7 | 164.9 | 0 | 0 | 0 | 110.6 | A275 F276 W277 W282 I283 | A275-I279 WeakPolarHBondContact O-CB 3.47Å; A275-I279 WeakPolarHBondContact O-CD1 3.44Å; A275-I279 WeakPolarHBondContact O-CG1 3.3Å; A275-I279 PolarHBondContact O-N 2.82Å; F276-I279 PolarHBondContact O-N 2.98Å; W277-I279 PolarHBondContact O-N 3.35Å; I279-W282 PolarHBondContact O-N 3.42Å; I279-I283 HydrophobicContact CG2-CD1 3.7Å; I279-I283 HydrophobicContact CG2-CG1 4.47Å; I279-I283 WeakPolarHBondContact O-CB 3.24Å; I279-I283 VanDerWaalsContact O-CG1 3.25Å; I279-I283 WeakPolarHBondContact O-CG1 3.23Å; I279-I283 PolarHBondContact O-N 2.94Å |
| 280 | N | 94.7 | Very high | 94.8 | Very high | 94 Ų | 94 | 127.2 Ų | 127.2 | 50% | 0.503 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -66.3 | -45.5 | -179.5 | -165 | 32.1 | 0 | 0 | 0 | 111.8 | F276 W277 W282 I283 W284 | F276-N280 WeakPolarHBondContact O-CB 3.5Å; F276-N280 PolarHBondContact O-N 3.42Å; W277-N280 PolarHBondContact O-N 2.99Å; N280-W282 VanDerWaalsContact C-N 3.34Å; N280-W282 PolarHBondContact O-N 3.3Å; N280-I283 PolarHBondContact O-N 3.25Å; N280-W284 WeakPolarHBondContact O-CB 3.49Å; N280-W284 PolarHBondContact O-N 3.27Å |
| 281 | T | 96.8 | Very high | 94.7 | Very high | 66 Ų | 66 | 125.2 Ų | 125.2 | 41% | 0.405 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.5 | -38.6 | 174.2 | -56.1 | 0 | 0 | 0 | 0 | 112 | W277 W284 L285 | W277-T281 PolarHBondContact O-N 3.09Å; W277-T281 PolarHBondContact O-OG1 3.03Å; W277-T281 VanDerWaalsContact O-OG1 3.09Å; T281-W284 PolarHBondContact O-N 2.84Å; T281-L285 WeakPolarHBondContact O-CB 3.39Å; T281-L285 PolarHBondContact O-N 2.84Å |
| 282 | W | 96.6 | Very high | 94.6 | Very high | 174 Ų | 174 | 128.8 Ų | 128.8 | 66% | 0.659 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.2 | -41.4 | 176.4 | 178.5 | -99.1 | 0 | 0 | 0 | 112.8 | L278 I279 N280 W284 L285 R286 | L278-W282 WeakPolarHBondContact O-CB 3.19Å; L278-W282 PolarHBondContact O-N 3.42Å; I279-W282 PolarHBondContact O-N 3.42Å; N280-W282 VanDerWaalsContact C-N 3.34Å; N280-W282 PolarHBondContact O-N 3.3Å; W282-W284 VanDerWaalsContact C-N 3.32Å; W282-L285 PolarHBondContact O-N 3.01Å; W282-R286 WeakPolarHBondContact O-CB 3.4Å; W282-R286 PolarHBondContact O-N 3.21Å |
| 283 | I | 94.9 | Very high | 94.5 | Very high | 106 Ų | 106 | 133.5 Ų | 133.5 | 54% | 0.544 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -64 | -39.8 | 174.7 | -71 | 166.3 | 0 | 0 | 0 | 110.6 | I279 N280 R286 | I279-I283 HydrophobicContact CG2-CD1 3.7Å; I279-I283 HydrophobicContact CG2-CG1 4.47Å; I279-I283 WeakPolarHBondContact O-CB 3.24Å; I279-I283 VanDerWaalsContact O-CG1 3.25Å; I279-I283 WeakPolarHBondContact O-CG1 3.23Å; I279-I283 PolarHBondContact O-N 2.94Å; N280-I283 PolarHBondContact O-N 3.25Å; I283-R286 PolarHBondContact O-N 3.21Å |
| 284 | W | 93.9 | Very high | 94.3 | Very high | 196 Ų | 196 | 137.2 Ų | 137.2 | 74% | 0.742 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -65.2 | -44.9 | 175.3 | -176.7 | 83.7 | 0 | 0 | 0 | 112.4 | N280 T281 W282 R286 R287 | N280-W284 WeakPolarHBondContact O-CB 3.49Å; N280-W284 PolarHBondContact O-N 3.27Å; T281-W284 PolarHBondContact O-N 2.84Å; W282-W284 VanDerWaalsContact C-N 3.32Å; W284-R286 PolarHBondContact O-N 2.96Å; W284-R287 PolarHBondContact O-N 3.43Å |
| 285 | L | 93.4 | Very high | 94.1 | Very high | 124 Ų | 124 | 141.2 Ų | 141.2 | 65% | 0.649 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -65.2 | -19.7 | 178.6 | -174.9 | 62.7 | 0 | 0 | 0 | 113.6 | T281 W282 | T281-L285 WeakPolarHBondContact O-CB 3.39Å; T281-L285 PolarHBondContact O-N 2.84Å; W282-L285 PolarHBondContact O-N 3.01Å |
| 286 | R | 89.9 | Confident | 93.8 | Very high | 213 Ų | 213 | 149.3 Ų | 149.3 | 80% | 0.804 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | 5.7 | 179.9 | -156.7 | -173.5 | 172.9 | -159.5 | -3 | 113.4 | W282 I283 W284 | W282-R286 WeakPolarHBondContact O-CB 3.4Å; W282-R286 PolarHBondContact O-N 3.21Å; I283-R286 PolarHBondContact O-N 3.21Å; W284-R286 PolarHBondContact O-N 2.96Å |
| 287 | R | 79.8 | Confident | 93.6 | Very high | 279 Ų | 279 | 150.4 Ų | 150.4 | 100% | 1.053 | 65% | 0.653 | S | S | * | * | trans | -108.7 | 0 | -174.6 | -176.1 | 178.5 | 178.2 | 107.6 | 4.8 | 112.8 | W284 | W284-R287 PolarHBondContact O-N 3.43Š|
Retrieved 287 of 287 residues in 190.9 ms
(Link to these results)