| 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 | 53.2 | Low | 70.7 | Confident | 214 Ų | 214 | 129.2 Ų | 129.2 | 100% | 1.054 | 64% | 0.638 | S | S | * | * | 0 | 43.8 | 0 | -58.4 | -177.2 | -178.9 | 0 | 0 | 110.7 | |||||
| 2 | K | 61.9 | Low | 71.2 | Confident | 200 Ų | 200 | 133 Ų | 133 | 87% | 0.87 | 64% | 0.64 | S | S | * | * | trans | -114.2 | -3.2 | -175.1 | -88.2 | -177.1 | 170.7 | 178.5 | 0 | 114.3 | ||||
| 3 | D | 66.1 | Low | 71.7 | Confident | 159 Ų | 159 | 128.8 Ų | 128.8 | 85% | 0.85 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -121 | 23.8 | -169.9 | -54.7 | -72 | 0 | 0 | 0 | 113.6 | ||
| 4 | Q | 64.6 | Low | 72.1 | Confident | 116 Ų | 116 | 130.7 Ų | 130.7 | 54% | 0.542 | 63% | 0.63 | S | S | . | * | S | Bend | trans | -105.6 | 132.4 | 170.4 | -65.9 | -161.6 | -15.8 | 0 | 0 | 109 | D6 A8 F9 | Q4-D6 PolarHBondContact O-N 2.81Å; Q4-A8 HydrophobicContact CB-CB 4.37Å; Q4-F9 HydrophobicContact CB-CD2 4.38Å; Q4-F9 HydrophobicContact CB-CE2 3.82Å; Q4-F9 HydrophobicContact CB-CZ 4.42Å |
| 5 | P | 72.1 | Confident | 72.4 | Confident | 89 Ų | 89 | 133.1 Ų | 133.1 | 58% | 0.578 | 63% | 0.629 | S | S | * | * | trans | -57.1 | 139.4 | 176.8 | 25.4 | -33.2 | 0 | 0 | 0 | 108.5 | E7 A8 | P5-E7 PolarHBondContact O-N 3.45Å; P5-A8 HydrophobicContact CG-CB 4.37Å; P5-A8 WeakPolarHBondContact O-CB 3.07Å; P5-A8 PolarHBondContact O-N 2.94Å | ||
| 6 | D | 71.7 | Confident | 72.4 | Confident | 120 Ų | 120 | 129 Ų | 129 | 64% | 0.642 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -50.3 | -31.3 | -176.1 | -65 | -48.7 | 0 | 0 | 0 | 112.2 | Q4 A8 F9 Y10 | Q4-D6 PolarHBondContact O-N 2.81Å; D6-A8 VanDerWaalsContact C-N 3.3Å; D6-A8 PolarHBondContact O-N 3.02Å; D6-F9 WeakPolarHBondContact O-CB 3.39Å; D6-F9 PolarHBondContact O-N 3.48Å; D6-Y10 HydrophobicContact CB-CD2 4.38Å; D6-Y10 HydrophobicContact CB-CE2 4.1Å; D6-Y10 WeakPolarHBondContact O-CD2 3.39Å; D6-Y10 PolarHBondContact O-N 2.88Å |
| 7 | E | 75 | Confident | 72.2 | Confident | 159 Ų | 159 | 132.8 Ų | 132.8 | 74% | 0.743 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -52.1 | -40.8 | 172.6 | -61.5 | -176.7 | 179 | 0 | 0 | 113.9 | P5 F9 Y10 D11 | P5-E7 PolarHBondContact O-N 3.45Å; E7-F9 VanDerWaalsContact C-N 3.33Å; E7-F9 PolarHBondContact O-N 3.29Å; E7-Y10 PolarHBondContact O-N 2.77Å; E7-D11 PolarHBondContact O-N 3.27Å |
| 8 | A | 76.1 | Confident | 72.4 | Confident | 39 Ų | 39 | 129.4 Ų | 129.4 | 32% | 0.322 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -68.1 | -34.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q4 P5 D6 R12 | Q4-A8 HydrophobicContact CB-CB 4.37Å; P5-A8 HydrophobicContact CG-CB 4.37Å; P5-A8 WeakPolarHBondContact O-CB 3.07Å; P5-A8 PolarHBondContact O-N 2.94Å; D6-A8 VanDerWaalsContact C-N 3.3Å; D6-A8 PolarHBondContact O-N 3.02Å; A8-R12 WeakPolarHBondContact O-CB 3.41Å; A8-R12 PolarHBondContact O-N 3.05Å; A8-R12 VanDerWaalsContact O-N 3.11Å |
| 9 | F | 75.5 | Confident | 72.7 | Confident | 81 Ų | 81 | 126.2 Ų | 126.2 | 36% | 0.355 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -67.1 | -43.4 | 172.6 | -72.6 | -83.2 | 0 | 0 | 0 | 111 | Q4 D6 E7 R12 C13 | Q4-F9 HydrophobicContact CB-CD2 4.38Å; Q4-F9 HydrophobicContact CB-CE2 3.82Å; Q4-F9 HydrophobicContact CB-CZ 4.42Å; D6-F9 WeakPolarHBondContact O-CB 3.39Å; D6-F9 PolarHBondContact O-N 3.48Å; E7-F9 VanDerWaalsContact C-N 3.33Å; E7-F9 PolarHBondContact O-N 3.29Å; F9-R12 PolarHBondContact O-N 3.11Å; F9-C13 WeakPolarHBondContact O-CB 3.34Å; F9-C13 PolarHBondContact O-N 3.4Å; F9-C13 PolarHBondContact O-SG 2.85Å |
| 10 | Y | 78.7 | Confident | 72.9 | Confident | 173 Ų | 173 | 128.1 Ų | 128.1 | 68% | 0.678 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -65 | -43.4 | 177.5 | -72.3 | -69.3 | 0 | 0 | 0 | 112.7 | D6 E7 R12 C13 Y14 | D6-Y10 HydrophobicContact CB-CD2 4.38Å; D6-Y10 HydrophobicContact CB-CE2 4.1Å; D6-Y10 WeakPolarHBondContact O-CD2 3.39Å; D6-Y10 PolarHBondContact O-N 2.88Å; E7-Y10 PolarHBondContact O-N 2.77Å; Y10-R12 VanDerWaalsContact C-N 3.33Å; Y10-R12 PolarHBondContact O-N 2.94Å; Y10-C13 PolarHBondContact O-N 3.24Å; Y10-Y14 VanDerWaalsContact O-CB 3.29Å; Y10-Y14 WeakPolarHBondContact O-CB 3.32Å; Y10-Y14 PolarHBondContact O-N 3.43Å |
| 11 | D | 82.6 | Confident | 73.1 | Confident | 71 Ų | 71 | 125.4 Ų | 125.4 | 38% | 0.38 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -61.5 | -42.7 | 175.8 | -175.4 | 40.4 | 0 | 0 | 0 | 111.1 | E7 C13 Y14 R15 | E7-D11 PolarHBondContact O-N 3.27Å; D11-C13 PolarHBondContact O-N 2.8Å; D11-Y14 PolarHBondContact O-N 3.46Å; D11-R15 WeakPolarHBondContact O-CG 3.38Å; D11-R15 PolarHBondContact O-N 2.94Å; D11-R15 IonicContact OD1-NE 3.21Å; D11-R15 PolarHBondContact OD1-NE 3.49Å; D11-R15 IonicContact OD2-CZ 2.94Å; D11-R15 IonicContact OD2-NE 3.43Å; D11-R15 PolarHBondContact OD2-NE 3.29Å; D11-R15 IonicContact OD2-NH2 2.77Å; D11-R15 PolarHBondContact OD2-NH2 3.38Å |
| 12 | R | 77.2 | Confident | 74.2 | Confident | 175 Ų | 175 | 119.6 Ų | 119.6 | 66% | 0.66 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -62.5 | -46.8 | 176.4 | -170 | 176.1 | -174.7 | -177.6 | 1.1 | 111.9 | A8 F9 Y10 Y14 R15 L16 | A8-R12 WeakPolarHBondContact O-CB 3.41Å; A8-R12 PolarHBondContact O-N 3.05Å; A8-R12 VanDerWaalsContact O-N 3.11Å; F9-R12 PolarHBondContact O-N 3.11Å; Y10-R12 VanDerWaalsContact C-N 3.33Å; Y10-R12 PolarHBondContact O-N 2.94Å; R12-Y14 VanDerWaalsContact C-N 3.3Å; R12-Y14 PolarHBondContact O-N 2.9Å; R12-R15 PolarHBondContact O-N 3.5Å; R12-L16 HydrophobicContact CG-CD1 4.25Å; R12-L16 WeakPolarHBondContact O-CB 3.41Å; R12-L16 VanDerWaalsContact O-CG 3.24Å; R12-L16 WeakPolarHBondContact O-CG 3.29Å; R12-L16 PolarHBondContact O-N 3.32Å |
| 13 | C | 77.7 | Confident | 75 | Confident | 78 Ų | 78 | 113 Ų | 113 | 53% | 0.527 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.1 | -37.9 | 175.7 | -73.2 | 0 | 0 | 0 | 0 | 111.9 | F9 Y10 D11 L16 R17 | F9-C13 WeakPolarHBondContact O-CB 3.34Å; F9-C13 PolarHBondContact O-N 3.4Å; F9-C13 PolarHBondContact O-SG 2.85Å; Y10-C13 PolarHBondContact O-N 3.24Å; D11-C13 PolarHBondContact O-N 2.8Å; C13-L16 PolarHBondContact O-N 3.45Å; C13-R17 WeakPolarHBondContact O-CB 3.24Å; C13-R17 PolarHBondContact O-N 3.45Å |
| 14 | Y | 77 | Confident | 75.7 | Confident | 156 Ų | 156 | 108.9 Ų | 108.9 | 61% | 0.612 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.9 | -47.9 | 176.8 | -172.2 | -99.7 | 0 | 0 | 0 | 111.4 | Y10 D11 R12 L16 R17 C18 | Y10-Y14 VanDerWaalsContact O-CB 3.29Å; Y10-Y14 WeakPolarHBondContact O-CB 3.32Å; Y10-Y14 PolarHBondContact O-N 3.43Å; D11-Y14 PolarHBondContact O-N 3.46Å; R12-Y14 VanDerWaalsContact C-N 3.3Å; R12-Y14 PolarHBondContact O-N 2.9Å; Y14-L16 VanDerWaalsContact C-N 3.32Å; Y14-L16 PolarHBondContact O-N 2.8Å; Y14-R17 CarbonylContact O-C 3.57Å; Y14-R17 PolarHBondContact O-N 2.87Å; Y14-R17 VanDerWaalsContact O-N 3.09Å; Y14-C18 WeakPolarHBondContact CE1-SG 3.11Å; Y14-C18 VanDerWaalsContact CZ-SG 3.58Å; Y14-C18 WeakPolarHBondContact O-CB 3.45Å; Y14-C18 PolarHBondContact O-N 3.41Å; Y14-C18 PolarHBondContact O-SG 3.35Å; Y14-C18 VanDerWaalsContact O-SG 3.37Å |
| 15 | R | 77.2 | Confident | 76.5 | Confident | 166 Ų | 166 | 104.8 Ų | 104.8 | 63% | 0.626 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -58.2 | -43.4 | 174.6 | -70.7 | -179.9 | -165.5 | -155.1 | 7 | 112 | D11 R12 R17 C18 N19 | D11-R15 WeakPolarHBondContact O-CG 3.38Å; D11-R15 PolarHBondContact O-N 2.94Å; D11-R15 IonicContact OD1-NE 3.21Å; D11-R15 PolarHBondContact OD1-NE 3.49Å; D11-R15 IonicContact OD2-CZ 2.94Å; D11-R15 IonicContact OD2-NE 3.43Å; D11-R15 PolarHBondContact OD2-NE 3.29Å; D11-R15 IonicContact OD2-NH2 2.77Å; D11-R15 PolarHBondContact OD2-NH2 3.38Å; R12-R15 PolarHBondContact O-N 3.5Å; R15-R17 VanDerWaalsContact C-N 3.33Å; R15-R17 PolarHBondContact O-N 2.97Å; R15-C18 PolarHBondContact O-N 3.38Å; R15-N19 PolarHBondContact O-N 3.09Å |
| 16 | L | 71.4 | Confident | 77 | Confident | 68 Ų | 68 | 104.3 Ų | 104.3 | 36% | 0.356 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.9 | -40.8 | 175.3 | -72.4 | 169.2 | 0 | 0 | 0 | 111.7 | R12 C13 Y14 N19 Q22 | R12-L16 HydrophobicContact CG-CD1 4.25Å; R12-L16 WeakPolarHBondContact O-CB 3.41Å; R12-L16 VanDerWaalsContact O-CG 3.24Å; R12-L16 WeakPolarHBondContact O-CG 3.29Å; R12-L16 PolarHBondContact O-N 3.32Å; C13-L16 PolarHBondContact O-N 3.45Å; Y14-L16 VanDerWaalsContact C-N 3.32Å; Y14-L16 PolarHBondContact O-N 2.8Å; L16-N19 PolarHBondContact O-N 3.37Å; L16-Q22 VanDerWaalsContact CD2-CD 3.49Å; L16-Q22 VanDerWaalsContact CD2-OE1 3.23Å |
| 17 | R | 70.1 | Confident | 77.6 | Confident | 193 Ų | 193 | 107 Ų | 107 | 73% | 0.728 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -71.3 | -33.2 | 177.5 | -166.7 | 173.7 | -172.5 | 167.4 | 2 | 112.9 | C13 Y14 R15 N19 L23 | C13-R17 WeakPolarHBondContact O-CB 3.24Å; C13-R17 PolarHBondContact O-N 3.45Å; Y14-R17 CarbonylContact O-C 3.57Å; Y14-R17 PolarHBondContact O-N 2.87Å; Y14-R17 VanDerWaalsContact O-N 3.09Å; R15-R17 VanDerWaalsContact C-N 3.33Å; R15-R17 PolarHBondContact O-N 2.97Å; R17-N19 VanDerWaalsContact C-N 3.32Å; R17-L23 HydrophobicContact CG-CD1 4.36Å; R17-L23 WeakPolarHBondContact O-CD1 3.45Å |
| 18 | C | 75.7 | Confident | 77.9 | Confident | 72 Ų | 72 | 103.2 Ų | 103.2 | 49% | 0.486 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -72.2 | -27.8 | 174.5 | -72.8 | 0 | 0 | 0 | 0 | 112.2 | Y14 R15 K20 | Y14-C18 WeakPolarHBondContact CE1-SG 3.11Å; Y14-C18 VanDerWaalsContact CZ-SG 3.58Å; Y14-C18 WeakPolarHBondContact O-CB 3.45Å; Y14-C18 PolarHBondContact O-N 3.41Å; Y14-C18 PolarHBondContact O-SG 3.35Å; Y14-C18 VanDerWaalsContact O-SG 3.37Å; R15-C18 PolarHBondContact O-N 3.38Å; C18-K20 VanDerWaalsContact C-N 3.28Å; C18-K20 PolarHBondContact O-N 3.01Å |
| 19 | N | 77.7 | Confident | 78.2 | Confident | 68 Ų | 68 | 101.9 Ų | 101.9 | 36% | 0.364 | 46% | 0.457 | S | S | . | . | trans | -74.6 | 79.7 | 174.7 | -167.3 | -5.2 | 0 | 0 | 0 | 111.3 | R15 L16 R17 N21 Q22 L23 | R15-N19 PolarHBondContact O-N 3.09Å; L16-N19 PolarHBondContact O-N 3.37Å; R17-N19 VanDerWaalsContact C-N 3.32Å; N19-N21 PolarHBondContact O-N 3.41Å; N19-N21 WeakPolarHBondContact OD1-CB 3.5Å; N19-N21 PolarHBondContact OD1-N 2.97Å; N19-Q22 HydrophobicContact CB-CB 4.05Å; N19-Q22 PolarHBondContact ND2-OE1 3.16Å; N19-Q22 PolarHBondContact O-N 3.03Å; N19-Q22 PolarHBondContact OD1-N 3.06Å; N19-L23 PolarHBondContact O-N 2.93Å | ||
| 20 | K | 77.4 | Confident | 78.5 | Confident | 165 Ų | 165 | 105.2 Ų | 105.2 | 72% | 0.717 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -53.1 | -29.9 | 178.9 | -68.4 | -178.5 | -179.5 | 176.8 | 0 | 113 | C18 R24 | C18-K20 VanDerWaalsContact C-N 3.28Å; C18-K20 PolarHBondContact O-N 3.01Å; K20-R24 WeakPolarHBondContact O-CB 3.3Å; K20-R24 PolarHBondContact O-N 2.89Å; K20-R24 VanDerWaalsContact O-N 3.08Å |
| 21 | N | 77.3 | Confident | 78.8 | Confident | 71 Ų | 71 | 101.6 Ų | 101.6 | 38% | 0.38 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -68.6 | -44.6 | 177.6 | -70.4 | -8.4 | 0 | 0 | 0 | 111 | N19 R24 V25 N66 | N19-N21 PolarHBondContact O-N 3.41Å; N19-N21 WeakPolarHBondContact OD1-CB 3.5Å; N19-N21 PolarHBondContact OD1-N 2.97Å; N21-R24 WeakPolarHBondContact O-CB 3.44Å; N21-R24 PolarHBondContact O-N 3.42Å; N21-V25 WeakPolarHBondContact O-CG2 3.41Å; N21-V25 PolarHBondContact O-N 3.08Å; N21-V25 VanDerWaalsContact O-N 3.07Å; N21-N66 WeakPolarHBondContact CA-ND2 3.33Å; N21-N66 HydrophobicContact CB-CB 4.42Å; N21-N66 WeakPolarHBondContact CB-ND2 3.49Å; N21-N66 PolarHBondContact O-ND2 3.03Å |
| 22 | Q | 75.6 | Confident | 78.7 | Confident | 92 Ų | 92 | 98.6 Ų | 98.6 | 43% | 0.43 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -69 | -41.2 | 177.9 | -172.2 | 167.7 | 7.7 | 0 | 0 | 112 | L16 N19 R24 V25 D26 | L16-Q22 VanDerWaalsContact CD2-CD 3.49Å; L16-Q22 VanDerWaalsContact CD2-OE1 3.23Å; N19-Q22 HydrophobicContact CB-CB 4.05Å; N19-Q22 PolarHBondContact ND2-OE1 3.16Å; N19-Q22 PolarHBondContact O-N 3.03Å; N19-Q22 PolarHBondContact OD1-N 3.06Å; Q22-R24 PolarHBondContact O-N 3.45Å; Q22-V25 PolarHBondContact O-N 3.37Å; Q22-V25 VanDerWaalsContact O-N 3.15Å; Q22-D26 WeakPolarHBondContact O-CB 3.14Å; Q22-D26 PolarHBondContact O-N 3.15Å |
| 23 | L | 79.2 | Confident | 78.9 | Confident | 62 Ų | 62 | 93.8 Ų | 93.8 | 33% | 0.325 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -58 | -36 | 172 | -77.1 | 179.1 | 0 | 0 | 0 | 112.5 | R17 N19 R27 | R17-L23 HydrophobicContact CG-CD1 4.36Å; R17-L23 WeakPolarHBondContact O-CD1 3.45Å; N19-L23 PolarHBondContact O-N 2.93Å; L23-R27 WeakPolarHBondContact O-CB 3.46Å; L23-R27 VanDerWaalsContact O-CG 3.3Å; L23-R27 WeakPolarHBondContact O-CG 3.42Å; L23-R27 PolarHBondContact O-N 3.44Å |
| 24 | R | 80.3 | Confident | 79.1 | Confident | 73 Ų | 73 | 91.6 Ų | 91.6 | 28% | 0.275 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.4 | -48.2 | 175.7 | -172.9 | -176.3 | -62.9 | 170.9 | -18.8 | 110.7 | K20 N21 Q22 D26 R27 F28 N66 | K20-R24 WeakPolarHBondContact O-CB 3.3Å; K20-R24 PolarHBondContact O-N 2.89Å; K20-R24 VanDerWaalsContact O-N 3.08Å; N21-R24 WeakPolarHBondContact O-CB 3.44Å; N21-R24 PolarHBondContact O-N 3.42Å; Q22-R24 PolarHBondContact O-N 3.45Å; R24-D26 VanDerWaalsContact C-N 3.28Å; R24-D26 PolarHBondContact O-N 3.28Å; R24-R27 PolarHBondContact O-N 2.97Å; R24-F28 HydrophobicContact CG-CD2 3.65Å; R24-F28 HydrophobicContact CG-CE2 3.55Å; R24-F28 VanDerWaalsContact O-CD2 3.26Å; R24-F28 WeakPolarHBondContact O-CD2 3.45Å; R24-F28 PolarHBondContact O-N 2.95Å; R24-N66 VanDerWaalsContact CD-OD1 3.32Å; R24-N66 WeakPolarHBondContact CD-OD1 3.2Å; R24-N66 PolarHBondContact NH1-OD1 2.84Å |
| 25 | V | 81.9 | Confident | 79.4 | Confident | 30 Ų | 30 | 88 Ų | 88 | 18% | 0.182 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -57 | -44.1 | 176.8 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | N21 Q22 F28 S29 T59 A62 V63 | N21-V25 WeakPolarHBondContact O-CG2 3.41Å; N21-V25 PolarHBondContact O-N 3.08Å; N21-V25 VanDerWaalsContact O-N 3.07Å; Q22-V25 PolarHBondContact O-N 3.37Å; Q22-V25 VanDerWaalsContact O-N 3.15Å; V25-F28 PolarHBondContact O-N 3.47Å; V25-S29 WeakPolarHBondContact O-CB 3.26Å; V25-S29 PolarHBondContact O-N 3.39Å; V25-T59 HydrophobicContact CG1-CG2 3.92Å; V25-A62 HydrophobicContact CB-CB 4.13Å; V25-A62 HydrophobicContact CG2-CB 3.73Å; V25-V63 HydrophobicContact CG2-CG2 3.94Å |
| 26 | D | 82.5 | Confident | 79.3 | Confident | 78 Ų | 78 | 80.5 Ų | 80.5 | 42% | 0.417 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.5 | -46 | 179 | -163.6 | 39.3 | 0 | 0 | 0 | 111.6 | Q22 R24 F28 S29 Y30 | Q22-D26 WeakPolarHBondContact O-CB 3.14Å; Q22-D26 PolarHBondContact O-N 3.15Å; R24-D26 VanDerWaalsContact C-N 3.28Å; R24-D26 PolarHBondContact O-N 3.28Å; D26-F28 PolarHBondContact O-N 2.94Å; D26-S29 VanDerWaalsContact O-CB 3.29Å; D26-S29 WeakPolarHBondContact O-CB 3.29Å; D26-S29 PolarHBondContact O-N 3.07Å; D26-S29 VanDerWaalsContact O-N 3.16Å; D26-Y30 WeakPolarHBondContact O-CD2 3.36Å; D26-Y30 PolarHBondContact O-N 3.27Å; D26-Y30 WeakPolarHBondContact OD1-CE2 3.26Å; D26-Y30 WeakPolarHBondContact OD2-CE2 3.32Å |
| 27 | R | 82.9 | Confident | 79.6 | Confident | 177 Ų | 177 | 77.8 Ų | 77.8 | 67% | 0.668 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -59.9 | -45.7 | 175.1 | -75.1 | 177.1 | -179.7 | -165.6 | -0.7 | 113 | L23 R24 S29 Y30 I31 | L23-R27 WeakPolarHBondContact O-CB 3.46Å; L23-R27 VanDerWaalsContact O-CG 3.3Å; L23-R27 WeakPolarHBondContact O-CG 3.42Å; L23-R27 PolarHBondContact O-N 3.44Å; R24-R27 PolarHBondContact O-N 2.97Å; R27-S29 VanDerWaalsContact C-N 3.29Å; R27-S29 PolarHBondContact O-N 3.33Å; R27-Y30 PolarHBondContact O-N 3.46Å; R27-I31 VanDerWaalsContact O-CG1 3.26Å; R27-I31 WeakPolarHBondContact O-CG1 3.41Å; R27-I31 PolarHBondContact O-N 2.96Å |
| 28 | F | 81.5 | Confident | 80.1 | Confident | 79 Ų | 79 | 74.7 Ų | 74.7 | 35% | 0.346 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -67.1 | -32.1 | 176.9 | -84.1 | -77.6 | 0 | 0 | 0 | 112.2 | R24 V25 D26 I31 G32 G58 A62 | R24-F28 HydrophobicContact CG-CD2 3.65Å; R24-F28 HydrophobicContact CG-CE2 3.55Å; R24-F28 VanDerWaalsContact O-CD2 3.26Å; R24-F28 WeakPolarHBondContact O-CD2 3.45Å; R24-F28 PolarHBondContact O-N 2.95Å; V25-F28 PolarHBondContact O-N 3.47Å; D26-F28 PolarHBondContact O-N 2.94Å; F28-I31 PolarHBondContact O-N 3.48Å; F28-G32 PolarHBondContact O-N 3.27Å; F28-G58 WeakPolarHBondContact CB-O 3.46Å; F28-A62 HydrophobicContact CB-CB 3.74Å; F28-A62 HydrophobicContact CD2-CB 3.58Å; F28-A62 HydrophobicContact CE2-CB 4.45Å; F28-A62 HydrophobicContact CG-CB 3.88Å |
| 29 | S | 82.2 | Confident | 80.2 | Confident | 12 Ų | 12 | 73.2 Ų | 73.2 | 8% | 0.084 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.4 | -47.3 | 171.8 | -169.7 | 0 | 0 | 0 | 0 | 111.2 | V25 D26 R27 I31 G32 L33 M55 | V25-S29 WeakPolarHBondContact O-CB 3.26Å; V25-S29 PolarHBondContact O-N 3.39Å; D26-S29 VanDerWaalsContact O-CB 3.29Å; D26-S29 WeakPolarHBondContact O-CB 3.29Å; D26-S29 PolarHBondContact O-N 3.07Å; D26-S29 VanDerWaalsContact O-N 3.16Å; R27-S29 VanDerWaalsContact C-N 3.29Å; R27-S29 PolarHBondContact O-N 3.33Å; S29-I31 PolarHBondContact O-N 3.27Å; S29-G32 CarbonylContact O-C 3.48Å; S29-G32 WeakPolarHBondContact O-CA 3.45Å; S29-G32 PolarHBondContact O-N 3.33Å; S29-G32 VanDerWaalsContact O-N 3.14Å; S29-L33 PolarHBondContact O-N 3.34Å; S29-M55 WeakPolarHBondContact OG-CE 3.28Å |
| 30 | Y | 83.1 | Confident | 80 | Confident | 150 Ų | 150 | 70 Ų | 70 | 59% | 0.588 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -62.9 | -40.7 | 176 | -78.4 | -65.7 | 0 | 0 | 0 | 112.9 | D26 R27 G32 L33 G34 | D26-Y30 WeakPolarHBondContact O-CD2 3.36Å; D26-Y30 PolarHBondContact O-N 3.27Å; D26-Y30 WeakPolarHBondContact OD1-CE2 3.26Å; D26-Y30 WeakPolarHBondContact OD2-CE2 3.32Å; R27-Y30 PolarHBondContact O-N 3.46Å; Y30-G32 VanDerWaalsContact C-N 3.31Å; Y30-L33 PolarHBondContact O-N 3.31Å; Y30-G34 PolarHBondContact O-N 3.39Å |
| 31 | I | 85.4 | Confident | 79.9 | Confident | 98 Ų | 98 | 70.4 Ų | 70.4 | 50% | 0.503 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 173.2 | -66.9 | 164.8 | 0 | 0 | 0 | 109.7 | R27 F28 S29 L33 G34 C35 | R27-I31 VanDerWaalsContact O-CG1 3.26Å; R27-I31 WeakPolarHBondContact O-CG1 3.41Å; R27-I31 PolarHBondContact O-N 2.96Å; F28-I31 PolarHBondContact O-N 3.48Å; S29-I31 PolarHBondContact O-N 3.27Å; I31-L33 PolarHBondContact O-N 2.95Å; I31-G34 PolarHBondContact O-N 3.17Å; I31-C35 VanDerWaalsContact O-CB 3.32Å; I31-C35 WeakPolarHBondContact O-CB 3.49Å; I31-C35 PolarHBondContact O-N 2.87Å; I31-C35 PolarHBondContact O-SG 2.83Å; I31-C35 VanDerWaalsContact O-SG 3.42Å |
| 32 | G | 79.7 | Confident | 79.8 | Confident | 8 Ų | 8 | 71.3 Ų | 71.3 | 8% | 0.082 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.5 | -40.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | F28 S29 Y30 G36 G54 | F28-G32 PolarHBondContact O-N 3.27Å; S29-G32 CarbonylContact O-C 3.48Å; S29-G32 WeakPolarHBondContact O-CA 3.45Å; S29-G32 PolarHBondContact O-N 3.33Å; S29-G32 VanDerWaalsContact O-N 3.14Å; Y30-G32 VanDerWaalsContact C-N 3.31Å; G32-G36 VanDerWaalsContact O-CA 3.31Å; G32-G36 WeakPolarHBondContact O-CA 3.42Å; G32-G36 PolarHBondContact O-N 2.81Å; G32-G54 VanDerWaalsContact C-C 3.49Å; G32-G54 VanDerWaalsContact CA-O 3.28Å; G32-G54 WeakPolarHBondContact CA-O 3.43Å; G32-G54 CarbonylContact O-C 3.47Å; G32-G54 WeakPolarHBondContact O-CA 3.45Å |
| 33 | L | 80.4 | Confident | 79.5 | Confident | 73 Ų | 73 | 71.2 Ų | 71.2 | 38% | 0.382 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.6 | -50.4 | 174 | -170.1 | 161.3 | 0 | 0 | 0 | 110.4 | S29 Y30 I31 G37 A51 M55 | S29-L33 PolarHBondContact O-N 3.34Å; Y30-L33 PolarHBondContact O-N 3.31Å; I31-L33 PolarHBondContact O-N 2.95Å; L33-G37 WeakPolarHBondContact O-CA 3.33Å; L33-G37 PolarHBondContact O-N 3.08Å; L33-A51 HydrophobicContact CG-CB 4.5Å; L33-M55 HydrophobicContact CB-CG 3.54Å; L33-M55 HydrophobicContact CB-SD 3.99Å; L33-M55 HydrophobicContact CD1-CE 4Å; L33-M55 HydrophobicContact CD1-CG 4.34Å; L33-M55 HydrophobicContact CD1-SD 3.62Å; L33-M55 HydrophobicContact CG-CG 4.14Å; L33-M55 HydrophobicContact CG-SD 3.95Å |
| 34 | G | 81.8 | Confident | 79.2 | Confident | 32 Ų | 32 | 73.5 Ų | 73.5 | 33% | 0.33 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.2 | -53.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y30 I31 G37 I38 | Y30-G34 PolarHBondContact O-N 3.39Å; I31-G34 PolarHBondContact O-N 3.17Å; G34-G37 PolarHBondContact O-N 3.39Å; G34-I38 VanDerWaalsContact O-CG1 3.24Å; G34-I38 WeakPolarHBondContact O-CG1 3.35Å; G34-I38 PolarHBondContact O-N 3.45Å |
| 35 | C | 83.4 | Confident | 78.4 | Confident | 82 Ų | 82 | 76.4 Ų | 76.4 | 55% | 0.554 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -64.1 | -43.2 | 179.2 | -69.8 | 0 | 0 | 0 | 0 | 111.9 | I31 A39 | I31-C35 VanDerWaalsContact O-CB 3.32Å; I31-C35 WeakPolarHBondContact O-CB 3.49Å; I31-C35 PolarHBondContact O-N 2.87Å; I31-C35 PolarHBondContact O-SG 2.83Å; I31-C35 VanDerWaalsContact O-SG 3.42Å; C35-A39 WeakPolarHBondContact O-CB 3.37Å; C35-A39 PolarHBondContact O-N 3.22Å |
| 36 | G | 76.3 | Confident | 78.1 | Confident | 7 Ų | 7 | 76.5 Ų | 76.5 | 7% | 0.072 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | G32 A39 G40 T50 | G32-G36 VanDerWaalsContact O-CA 3.31Å; G32-G36 WeakPolarHBondContact O-CA 3.42Å; G32-G36 PolarHBondContact O-N 2.81Å; G36-A39 PolarHBondContact O-N 3.31Å; G36-G40 PolarHBondContact O-N 3.25Å; G36-T50 VanDerWaalsContact CA-O 3.29Å; G36-T50 WeakPolarHBondContact CA-O 3.24Å; G36-T50 CarbonylContact O-C 3.51Å; G36-T50 WeakPolarHBondContact O-CB 3.47Å; G36-T50 PolarHBondContact O-OG1 3.14Å |
| 37 | G | 77.1 | Confident | 77.8 | Confident | 12 Ų | 12 | 75.1 Ų | 75.1 | 12% | 0.124 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -61.6 | -47.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | L33 G34 G40 F41 | L33-G37 WeakPolarHBondContact O-CA 3.33Å; L33-G37 PolarHBondContact O-N 3.08Å; G34-G37 PolarHBondContact O-N 3.39Å; G37-G40 PolarHBondContact O-N 3.08Å; G37-G40 VanDerWaalsContact O-N 3.16Å; G37-F41 VanDerWaalsContact O-CD2 3.24Å; G37-F41 WeakPolarHBondContact O-CD2 3.29Å; G37-F41 PolarHBondContact O-N 3.45Å |
| 38 | I | 80.5 | Confident | 77.7 | Confident | 127 Ų | 127 | 73.9 Ų | 73.9 | 65% | 0.651 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -61.9 | -44.9 | 175.4 | -65.3 | 166.7 | 0 | 0 | 0 | 110.6 | G34 G40 F41 | G34-I38 VanDerWaalsContact O-CG1 3.24Å; G34-I38 WeakPolarHBondContact O-CG1 3.35Å; G34-I38 PolarHBondContact O-N 3.45Å; I38-G40 PolarHBondContact O-N 2.97Å; I38-F41 PolarHBondContact O-N 3.01Å; I38-F41 VanDerWaalsContact O-N 3.1Å |
| 39 | A | 77.3 | Confident | 77.8 | Confident | 41 Ų | 41 | 75.3 Ų | 75.3 | 34% | 0.339 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.1 | -28.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | C35 G36 F41 A42 N43 | C35-A39 WeakPolarHBondContact O-CB 3.37Å; C35-A39 PolarHBondContact O-N 3.22Å; G36-A39 PolarHBondContact O-N 3.31Å; A39-F41 VanDerWaalsContact C-N 3.35Å; A39-A42 PolarHBondContact O-N 3.33Å; A39-N43 PolarHBondContact O-N 2.93Å; A39-N43 VanDerWaalsContact O-N 3.16Å; A39-N43 PolarHBondContact O-ND2 3.22Å |
| 40 | G | 74 | Confident | 77.7 | Confident | 2 Ų | 2 | 75.5 Ų | 75.5 | 2% | 0.021 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -75.5 | -18.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | G36 G37 I38 A42 N43 T50 | G36-G40 PolarHBondContact O-N 3.25Å; G37-G40 PolarHBondContact O-N 3.08Å; G37-G40 VanDerWaalsContact O-N 3.16Å; I38-G40 PolarHBondContact O-N 2.97Å; G40-A42 PolarHBondContact O-N 3.43Å; G40-N43 PolarHBondContact O-N 3.21Å; G40-N43 VanDerWaalsContact O-O 3.09Å; G40-T50 WeakPolarHBondContact CA-OG1 3.38Å; G40-T50 PolarHBondContact N-OG1 2.8Å |
| 41 | F | 74.9 | Confident | 77.6 | Confident | 173 Ų | 173 | 68.8 Ų | 68.8 | 76% | 0.759 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -69.5 | -24.3 | 167 | -74.9 | -85.3 | 0 | 0 | 0 | 111.8 | G37 I38 A39 P47 | G37-F41 VanDerWaalsContact O-CD2 3.24Å; G37-F41 WeakPolarHBondContact O-CD2 3.29Å; G37-F41 PolarHBondContact O-N 3.45Å; I38-F41 PolarHBondContact O-N 3.01Å; I38-F41 VanDerWaalsContact O-N 3.1Å; A39-F41 VanDerWaalsContact C-N 3.35Å; F41-P47 HydrophobicContact CD2-CB 4.18Å; F41-P47 HydrophobicContact CE2-CB 3.92Å; F41-P47 HydrophobicContact CZ-CB 4.26Å; F41-P47 HydrophobicContact CZ-CG 4.37Å |
| 42 | A | 76.6 | Confident | 77.6 | Confident | 90 Ų | 90 | 67.6 Ų | 67.6 | 74% | 0.744 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -95 | -10.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | A39 G40 | A39-A42 PolarHBondContact O-N 3.33Å; G40-A42 PolarHBondContact O-N 3.43Å |
| 43 | N | 67.9 | Low | 77.9 | Confident | 90 Ų | 90 | 71.5 Ų | 71.5 | 48% | 0.481 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -109.5 | 151.5 | -177.5 | -80.4 | -72.6 | 0 | 0 | 0 | 111.3 | A39 G40 F45 T50 | A39-N43 PolarHBondContact O-N 2.93Å; A39-N43 VanDerWaalsContact O-N 3.16Å; A39-N43 PolarHBondContact O-ND2 3.22Å; G40-N43 PolarHBondContact O-N 3.21Å; G40-N43 VanDerWaalsContact O-O 3.09Å; N43-F45 PolarHBondContact O-N 3.01Å; N43-T50 HydrophobicContact CB-CG2 4.35Å |
| 44 | A | 72.7 | Confident | 78 | Confident | 109 Ų | 109 | 68.6 Ų | 68.6 | 90% | 0.901 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -64.3 | -22.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G46 | A44-G46 PolarHBondContact O-N 3.43Š|
| 45 | F | 65 | Low | 78.1 | Confident | 134 Ų | 134 | 70 Ų | 70 | 59% | 0.588 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -77.5 | 114.2 | 169.3 | -62.2 | -80.2 | 0 | 0 | 0 | 108.3 | N43 T50 | N43-F45 PolarHBondContact O-N 3.01Å; F45-T50 HydrophobicContact CB-CG2 3.97Å; F45-T50 WeakPolarHBondContact O-CG2 3.49Å |
| 46 | G | 74.4 | Confident | 78.2 | Confident | 32 Ų | 32 | 72 Ų | 72 | 33% | 0.33 | 41% | 0.414 | S | S | . | . | trans | -55.6 | 160.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | A44 M48 Q49 T50 | A44-G46 PolarHBondContact O-N 3.43Å; G46-M48 PolarHBondContact O-N 3.29Å; G46-Q49 PolarHBondContact O-N 3.47Å; G46-T50 PolarHBondContact O-N 2.83Å | ||
| 47 | P | 77.6 | Confident | 78.7 | Confident | 50 Ų | 50 | 77 Ų | 77 | 33% | 0.325 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -56.7 | -31.6 | -168.5 | 22.1 | -34.3 | 0 | 0 | 0 | 114.2 | F41 T50 A51 | F41-P47 HydrophobicContact CD2-CB 4.18Å; F41-P47 HydrophobicContact CE2-CB 3.92Å; F41-P47 HydrophobicContact CZ-CB 4.26Å; F41-P47 HydrophobicContact CZ-CG 4.37Å; P47-T50 PolarHBondContact O-OG1 3.31Å; P47-T50 VanDerWaalsContact O-OG1 3.14Å; P47-A51 WeakPolarHBondContact O-CB 3.31Å; P47-A51 PolarHBondContact O-N 2.77Å |
| 48 | M | 80.9 | Confident | 78.9 | Confident | 150 Ų | 150 | 76.9 Ų | 76.9 | 74% | 0.739 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -68 | -40 | 177.4 | -71.6 | -64.8 | -74.8 | 0 | 0 | 112.6 | G46 V52 | G46-M48 PolarHBondContact O-N 3.29Å; M48-V52 VanDerWaalsContact O-CG2 3.28Å; M48-V52 WeakPolarHBondContact O-CG2 3.48Å; M48-V52 PolarHBondContact O-N 2.81Å; M48-V52 VanDerWaalsContact O-N 3.08Å |
| 49 | Q | 82.6 | Confident | 79 | Confident | 109 Ų | 109 | 72.8 Ų | 72.8 | 51% | 0.509 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -70.3 | -46 | -177.7 | -68.9 | 179.5 | -12.5 | 0 | 0 | 110.8 | G46 A51 V52 I53 | G46-Q49 PolarHBondContact O-N 3.47Å; Q49-A51 VanDerWaalsContact C-N 3.33Å; Q49-A51 PolarHBondContact O-N 2.77Å; Q49-V52 PolarHBondContact O-N 3.34Å; Q49-I53 VanDerWaalsContact O-CG1 3.29Å; Q49-I53 WeakPolarHBondContact O-CG1 3.32Å; Q49-I53 PolarHBondContact O-N 3.42Å |
| 50 | T | 80.6 | Confident | 79.4 | Confident | 16 Ų | 16 | 75.1 Ų | 75.1 | 10% | 0.098 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -68.6 | -32.2 | 177.9 | 57.5 | 0 | 0 | 0 | 0 | 112.1 | G36 G40 N43 F45 G46 P47 G54 | G36-T50 VanDerWaalsContact CA-O 3.29Å; G36-T50 WeakPolarHBondContact CA-O 3.24Å; G36-T50 CarbonylContact O-C 3.51Å; G36-T50 WeakPolarHBondContact O-CB 3.47Å; G36-T50 PolarHBondContact O-OG1 3.14Å; G40-T50 WeakPolarHBondContact CA-OG1 3.38Å; G40-T50 PolarHBondContact N-OG1 2.8Å; N43-T50 HydrophobicContact CB-CG2 4.35Å; F45-T50 HydrophobicContact CB-CG2 3.97Å; F45-T50 WeakPolarHBondContact O-CG2 3.49Å; G46-T50 PolarHBondContact O-N 2.83Å; P47-T50 PolarHBondContact O-OG1 3.31Å; P47-T50 VanDerWaalsContact O-OG1 3.14Å; T50-G54 PolarHBondContact O-N 2.85Å |
| 51 | A | 81.6 | Confident | 79.8 | Confident | 10 Ų | 10 | 77 Ų | 77 | 8% | 0.083 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -61.9 | -47.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L33 P47 Q49 I53 G54 M55 | L33-A51 HydrophobicContact CG-CB 4.5Å; P47-A51 WeakPolarHBondContact O-CB 3.31Å; P47-A51 PolarHBondContact O-N 2.77Å; Q49-A51 VanDerWaalsContact C-N 3.33Å; Q49-A51 PolarHBondContact O-N 2.77Å; A51-I53 PolarHBondContact O-N 3.39Å; A51-G54 PolarHBondContact O-N 2.91Å; A51-M55 WeakPolarHBondContact O-CG 3.44Å; A51-M55 PolarHBondContact O-N 2.98Å |
| 52 | V | 84.7 | Confident | 80.1 | Confident | 72 Ų | 72 | 68.8 Ų | 68.8 | 44% | 0.436 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 177.7 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | M48 Q49 G54 M55 M56 | M48-V52 VanDerWaalsContact O-CG2 3.28Å; M48-V52 WeakPolarHBondContact O-CG2 3.48Å; M48-V52 PolarHBondContact O-N 2.81Å; M48-V52 VanDerWaalsContact O-N 3.08Å; Q49-V52 PolarHBondContact O-N 3.34Å; V52-G54 VanDerWaalsContact C-N 3.34Å; V52-G54 PolarHBondContact O-N 2.95Å; V52-M55 WeakPolarHBondContact O-CB 3.32Å; V52-M55 PolarHBondContact O-N 3.48Å; V52-M56 HydrophobicContact CG1-CE 4.34Å; V52-M56 WeakPolarHBondContact O-CG 3.47Å; V52-M56 PolarHBondContact O-N 3.16Å |
| 53 | I | 86.2 | Confident | 80.3 | Confident | 91 Ų | 91 | 67.7 Ų | 67.7 | 47% | 0.467 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62 | -44.3 | 175.2 | -67.2 | 164.8 | 0 | 0 | 0 | 110.3 | Q49 A51 M55 M56 I57 | Q49-I53 VanDerWaalsContact O-CG1 3.29Å; Q49-I53 WeakPolarHBondContact O-CG1 3.32Å; Q49-I53 PolarHBondContact O-N 3.42Å; A51-I53 PolarHBondContact O-N 3.39Å; I53-M55 VanDerWaalsContact C-N 3.34Å; I53-M55 PolarHBondContact O-N 3.34Å; I53-M56 PolarHBondContact O-N 3.42Å; I53-I57 HydrophobicContact CG2-CD1 3.67Å; I53-I57 HydrophobicContact CG2-CG1 4.29Å; I53-I57 WeakPolarHBondContact O-CG1 3.49Å; I53-I57 PolarHBondContact O-N 2.92Å |
| 54 | G | 82.6 | Confident | 81 | Confident | 12 Ų | 12 | 66.1 Ų | 66.1 | 12% | 0.124 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -59.7 | -42.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G32 T50 A51 V52 I57 G58 | G32-G54 VanDerWaalsContact C-C 3.49Å; G32-G54 VanDerWaalsContact CA-O 3.28Å; G32-G54 WeakPolarHBondContact CA-O 3.43Å; G32-G54 CarbonylContact O-C 3.47Å; G32-G54 WeakPolarHBondContact O-CA 3.45Å; T50-G54 PolarHBondContact O-N 2.85Å; A51-G54 PolarHBondContact O-N 2.91Å; V52-G54 VanDerWaalsContact C-N 3.34Å; V52-G54 PolarHBondContact O-N 2.95Å; G54-I57 PolarHBondContact O-N 2.93Å; G54-G58 PolarHBondContact O-N 3.14Å |
| 55 | M | 83.8 | Confident | 81.3 | Confident | 62 Ų | 62 | 63.7 Ų | 63.7 | 31% | 0.305 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.3 | -46.7 | 172.4 | -70.5 | 178.2 | 85.1 | 0 | 0 | 111.8 | S29 L33 A51 V52 I53 I57 G58 T59 | S29-M55 WeakPolarHBondContact OG-CE 3.28Å; L33-M55 HydrophobicContact CB-CG 3.54Å; L33-M55 HydrophobicContact CB-SD 3.99Å; L33-M55 HydrophobicContact CD1-CE 4Å; L33-M55 HydrophobicContact CD1-CG 4.34Å; L33-M55 HydrophobicContact CD1-SD 3.62Å; L33-M55 HydrophobicContact CG-CG 4.14Å; L33-M55 HydrophobicContact CG-SD 3.95Å; A51-M55 WeakPolarHBondContact O-CG 3.44Å; A51-M55 PolarHBondContact O-N 2.98Å; V52-M55 WeakPolarHBondContact O-CB 3.32Å; V52-M55 PolarHBondContact O-N 3.48Å; I53-M55 VanDerWaalsContact C-N 3.34Å; I53-M55 PolarHBondContact O-N 3.34Å; M55-I57 PolarHBondContact O-N 3.19Å; M55-G58 PolarHBondContact O-N 3.34Å; M55-T59 WeakPolarHBondContact O-CB 3.32Å; M55-T59 VanDerWaalsContact O-CG2 3.29Å; M55-T59 WeakPolarHBondContact O-CG2 3.12Å; M55-T59 PolarHBondContact O-N 2.75Å; M55-T59 PolarHBondContact O-OG1 3.09Å |
| 56 | M | 85.6 | Confident | 82 | Confident | 123 Ų | 123 | 58 Ų | 58 | 61% | 0.606 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -60.3 | -47.1 | 177.6 | -75 | -168.4 | 177.8 | 0 | 0 | 111.3 | V52 I53 G58 T59 V60 | V52-M56 HydrophobicContact CG1-CE 4.34Å; V52-M56 WeakPolarHBondContact O-CG 3.47Å; V52-M56 PolarHBondContact O-N 3.16Å; I53-M56 PolarHBondContact O-N 3.42Å; M56-G58 PolarHBondContact O-N 3.46Å; M56-T59 WeakPolarHBondContact CA-OG1 3.33Å; M56-T59 PolarHBondContact O-N 3.25Å; M56-T59 PolarHBondContact O-OG1 3.08Å; M56-V60 WeakPolarHBondContact O-CB 3.28Å; M56-V60 WeakPolarHBondContact O-CG2 3.49Å; M56-V60 PolarHBondContact O-N 3.03Å |
| 57 | I | 86.4 | Confident | 82.1 | Confident | 112 Ų | 112 | 62.2 Ų | 62.2 | 57% | 0.574 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -63.6 | -43.9 | 178.1 | -66.2 | 170.1 | 0 | 0 | 0 | 110.5 | I53 G54 M55 T59 V60 A61 | I53-I57 HydrophobicContact CG2-CD1 3.67Å; I53-I57 HydrophobicContact CG2-CG1 4.29Å; I53-I57 WeakPolarHBondContact O-CG1 3.49Å; I53-I57 PolarHBondContact O-N 2.92Å; G54-I57 PolarHBondContact O-N 2.93Å; M55-I57 PolarHBondContact O-N 3.19Å; I57-T59 PolarHBondContact O-N 2.87Å; I57-V60 PolarHBondContact O-N 3.28Å; I57-A61 VanDerWaalsContact O-CB 3.27Å; I57-A61 WeakPolarHBondContact O-CB 3.33Å; I57-A61 PolarHBondContact O-N 3.18Å |
| 58 | G | 80.5 | Confident | 82.2 | Confident | 9 Ų | 9 | 65.1 Ų | 65.1 | 9% | 0.093 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | F28 G54 M55 M56 A62 | F28-G58 WeakPolarHBondContact CB-O 3.46Å; G54-G58 PolarHBondContact O-N 3.14Å; M55-G58 PolarHBondContact O-N 3.34Å; M56-G58 PolarHBondContact O-N 3.46Å; G58-A62 WeakPolarHBondContact O-CB 3.47Å; G58-A62 PolarHBondContact O-N 3.3Å |
| 59 | T | 83.1 | Confident | 81.8 | Confident | 42 Ų | 42 | 63.4 Ų | 63.4 | 26% | 0.258 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.2 | -45.7 | 177 | 53.3 | 0 | 0 | 0 | 0 | 111.8 | V25 M55 M56 I57 A62 V63 | V25-T59 HydrophobicContact CG1-CG2 3.92Å; M55-T59 WeakPolarHBondContact O-CB 3.32Å; M55-T59 VanDerWaalsContact O-CG2 3.29Å; M55-T59 WeakPolarHBondContact O-CG2 3.12Å; M55-T59 PolarHBondContact O-N 2.75Å; M55-T59 PolarHBondContact O-OG1 3.09Å; M56-T59 WeakPolarHBondContact CA-OG1 3.33Å; M56-T59 PolarHBondContact O-N 3.25Å; M56-T59 PolarHBondContact O-OG1 3.08Å; I57-T59 PolarHBondContact O-N 2.87Å; T59-A62 PolarHBondContact O-N 3.5Å; T59-V63 VanDerWaalsContact O-CG2 3.32Å; T59-V63 WeakPolarHBondContact O-CG2 3.24Å; T59-V63 PolarHBondContact O-N 2.93Å |
| 60 | V | 85.3 | Confident | 81 | Confident | 89 Ų | 89 | 60.9 Ų | 60.9 | 54% | 0.539 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.7 | -49 | 176.8 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | M56 I57 A62 V63 C64 | M56-V60 WeakPolarHBondContact O-CB 3.28Å; M56-V60 WeakPolarHBondContact O-CG2 3.49Å; M56-V60 PolarHBondContact O-N 3.03Å; I57-V60 PolarHBondContact O-N 3.28Å; V60-A62 VanDerWaalsContact C-N 3.3Å; V60-A62 PolarHBondContact O-N 2.82Å; V60-V63 PolarHBondContact O-N 2.63Å; V60-V63 VanDerWaalsContact O-N 3.16Å; V60-C64 PolarHBondContact O-N 2.98Å; V60-C64 PolarHBondContact O-SG 2.92Å; V60-C64 VanDerWaalsContact O-SG 3.33Å |
| 61 | A | 83.3 | Confident | 80.5 | Confident | 43 Ų | 43 | 63.8 Ų | 63.8 | 36% | 0.355 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -57.9 | -43 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | I57 C64 C65 | I57-A61 VanDerWaalsContact O-CB 3.27Å; I57-A61 WeakPolarHBondContact O-CB 3.33Å; I57-A61 PolarHBondContact O-N 3.18Å; A61-C64 PolarHBondContact O-N 3.16Å; A61-C65 WeakPolarHBondContact O-CB 2.99Å; A61-C65 PolarHBondContact O-N 3.45Å; A61-C65 PolarHBondContact O-SG 2.94Å |
| 62 | A | 80.3 | Confident | 79.6 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -67.4 | -37.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | V25 F28 G58 T59 V60 C65 N66 | V25-A62 HydrophobicContact CB-CB 4.13Å; V25-A62 HydrophobicContact CG2-CB 3.73Å; F28-A62 HydrophobicContact CB-CB 3.74Å; F28-A62 HydrophobicContact CD2-CB 3.58Å; F28-A62 HydrophobicContact CE2-CB 4.45Å; F28-A62 HydrophobicContact CG-CB 3.88Å; G58-A62 WeakPolarHBondContact O-CB 3.47Å; G58-A62 PolarHBondContact O-N 3.3Å; T59-A62 PolarHBondContact O-N 3.5Å; V60-A62 VanDerWaalsContact C-N 3.3Å; V60-A62 PolarHBondContact O-N 2.82Å; A62-C65 PolarHBondContact O-N 3.01Å; A62-N66 WeakPolarHBondContact O-CB 3.11Å; A62-N66 PolarHBondContact O-N 3.14Å; A62-N66 PolarHBondContact O-ND2 3.33Å |
| 63 | V | 81.8 | Confident | 78.4 | Confident | 66 Ų | 66 | 67.4 Ų | 67.4 | 40% | 0.4 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.9 | -46.3 | 172.9 | 171.6 | 0 | 0 | 0 | 0 | 110.1 | V25 T59 V60 C65 N66 Q67 | V25-V63 HydrophobicContact CG2-CG2 3.94Å; T59-V63 VanDerWaalsContact O-CG2 3.32Å; T59-V63 WeakPolarHBondContact O-CG2 3.24Å; T59-V63 PolarHBondContact O-N 2.93Å; V60-V63 PolarHBondContact O-N 2.63Å; V60-V63 VanDerWaalsContact O-N 3.16Å; V63-C65 PolarHBondContact O-N 3.22Å; V63-N66 WeakPolarHBondContact O-CB 3.29Å; V63-N66 PolarHBondContact O-N 3.32Å; V63-N66 VanDerWaalsContact O-N 3.14Å; V63-Q67 WeakPolarHBondContact O-CG 3.27Å; V63-Q67 PolarHBondContact O-N 3.46Å |
| 64 | C | 82.2 | Confident | 77.2 | Confident | 57 Ų | 57 | 68.9 Ų | 68.9 | 39% | 0.385 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.2 | -45.8 | 174.9 | -66.1 | 0 | 0 | 0 | 0 | 111.7 | V60 A61 N66 Q67 I68 | V60-C64 PolarHBondContact O-N 2.98Å; V60-C64 PolarHBondContact O-SG 2.92Å; V60-C64 VanDerWaalsContact O-SG 3.33Å; A61-C64 PolarHBondContact O-N 3.16Å; C64-N66 VanDerWaalsContact C-N 3.28Å; C64-N66 PolarHBondContact O-N 3.23Å; C64-Q67 PolarHBondContact O-N 3.49Å; C64-I68 VanDerWaalsContact O-CG1 3.32Å; C64-I68 WeakPolarHBondContact O-CG1 3.2Å; C64-I68 PolarHBondContact O-N 3.46Å |
| 65 | C | 79.6 | Confident | 75.8 | Confident | 58 Ų | 58 | 76.7 Ų | 76.7 | 39% | 0.392 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.3 | -33.9 | 176 | -70.5 | 0 | 0 | 0 | 0 | 112.9 | A61 A62 V63 K69 | A61-C65 WeakPolarHBondContact O-CB 2.99Å; A61-C65 PolarHBondContact O-N 3.45Å; A61-C65 PolarHBondContact O-SG 2.94Å; A62-C65 PolarHBondContact O-N 3.01Å; V63-C65 PolarHBondContact O-N 3.22Å; C65-K69 WeakPolarHBondContact O-CB 3.29Å; C65-K69 PolarHBondContact O-N 3.43Å |
| 66 | N | 78.2 | Confident | 74.1 | Confident | 15 Ų | 15 | 85.3 Ų | 85.3 | 8% | 0.08 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -69.3 | -41.5 | 174.8 | -72.4 | -22.1 | 0 | 0 | 0 | 111.5 | N21 R24 A62 V63 C64 K69 S70 | N21-N66 WeakPolarHBondContact CA-ND2 3.33Å; N21-N66 HydrophobicContact CB-CB 4.42Å; N21-N66 WeakPolarHBondContact CB-ND2 3.49Å; N21-N66 PolarHBondContact O-ND2 3.03Å; R24-N66 VanDerWaalsContact CD-OD1 3.32Å; R24-N66 WeakPolarHBondContact CD-OD1 3.2Å; R24-N66 PolarHBondContact NH1-OD1 2.84Å; A62-N66 WeakPolarHBondContact O-CB 3.11Å; A62-N66 PolarHBondContact O-N 3.14Å; A62-N66 PolarHBondContact O-ND2 3.33Å; V63-N66 WeakPolarHBondContact O-CB 3.29Å; V63-N66 PolarHBondContact O-N 3.32Å; V63-N66 VanDerWaalsContact O-N 3.14Å; C64-N66 VanDerWaalsContact C-N 3.28Å; C64-N66 PolarHBondContact O-N 3.23Å; N66-K69 PolarHBondContact O-N 2.81Å; N66-S70 PolarHBondContact O-N 3.49Å; N66-S70 PolarHBondContact O-OG 2.84Å |
| 67 | Q | 78.2 | Confident | 73.5 | Confident | 120 Ų | 120 | 83.5 Ų | 83.5 | 56% | 0.561 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -64.3 | -43.8 | 176.6 | -73.9 | -176.9 | -18.8 | 0 | 0 | 112.3 | V63 C64 K69 S70 S71 | V63-Q67 WeakPolarHBondContact O-CG 3.27Å; V63-Q67 PolarHBondContact O-N 3.46Å; C64-Q67 PolarHBondContact O-N 3.49Å; Q67-K69 VanDerWaalsContact C-N 3.29Å; Q67-K69 PolarHBondContact O-N 2.86Å; Q67-S70 WeakPolarHBondContact CA-OG 3.47Å; Q67-S70 PolarHBondContact O-N 3.39Å; Q67-S70 PolarHBondContact O-OG 3.18Å; Q67-S71 PolarHBondContact O-N 3.1Å; Q67-S71 PolarHBondContact O-OG 2.81Å; Q67-S71 VanDerWaalsContact O-OG 3.09Å |
| 68 | I | 77.8 | Confident | 72.9 | Confident | 111 Ų | 111 | 81.9 Ų | 81.9 | 57% | 0.569 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -58.7 | -45.8 | 175.4 | -65.8 | 163.4 | 0 | 0 | 0 | 109.8 | C64 S70 S71 T72 | C64-I68 VanDerWaalsContact O-CG1 3.32Å; C64-I68 WeakPolarHBondContact O-CG1 3.2Å; C64-I68 PolarHBondContact O-N 3.46Å; I68-S70 VanDerWaalsContact C-N 3.35Å; I68-S70 PolarHBondContact O-N 2.98Å; I68-S71 PolarHBondContact O-N 3.22Å; I68-T72 PolarHBondContact O-N 3.16Å; I68-T72 PolarHBondContact O-OG1 2.85Å |
| 69 | K | 72.8 | Confident | 72.4 | Confident | 115 Ų | 115 | 86 Ų | 86 | 50% | 0.5 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.6 | -39.9 | 178.4 | -173.1 | 174.8 | 178.5 | -177.4 | 0 | 112.4 | C65 N66 Q67 T72 S73 | C65-K69 WeakPolarHBondContact O-CB 3.29Å; C65-K69 PolarHBondContact O-N 3.43Å; N66-K69 PolarHBondContact O-N 2.81Å; Q67-K69 VanDerWaalsContact C-N 3.29Å; Q67-K69 PolarHBondContact O-N 2.86Å; K69-T72 PolarHBondContact O-N 2.87Å; K69-S73 PolarHBondContact O-N 2.95Å; K69-S73 VanDerWaalsContact O-N 3.08Å; K69-S73 PolarHBondContact O-OG 3.49Å |
| 70 | S | 67.6 | Low | 71.8 | Confident | 56 Ų | 56 | 88.6 Ų | 88.6 | 39% | 0.392 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.6 | -40 | 175.3 | 52 | 0 | 0 | 0 | 0 | 112.1 | N66 Q67 I68 T72 S73 T74 | N66-S70 PolarHBondContact O-N 3.49Å; N66-S70 PolarHBondContact O-OG 2.84Å; Q67-S70 WeakPolarHBondContact CA-OG 3.47Å; Q67-S70 PolarHBondContact O-N 3.39Å; Q67-S70 PolarHBondContact O-OG 3.18Å; I68-S70 VanDerWaalsContact C-N 3.35Å; I68-S70 PolarHBondContact O-N 2.98Å; S70-T72 VanDerWaalsContact C-N 3.33Å; S70-T72 PolarHBondContact O-N 2.93Å; S70-S73 WeakPolarHBondContact CA-OG 3.38Å; S70-S73 PolarHBondContact O-N 3.48Å; S70-S73 PolarHBondContact O-OG 3.47Å; S70-T74 PolarHBondContact O-N 3.33Å; S70-T74 PolarHBondContact O-OG1 3.37Å; S70-T74 VanDerWaalsContact O-OG1 3.08Å |
| 71 | S | 68.3 | Low | 71 | Confident | 76 Ų | 76 | 88.6 Ų | 88.6 | 53% | 0.531 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.4 | -36.6 | 177.4 | -59.3 | 0 | 0 | 0 | 0 | 112.1 | Q67 I68 | Q67-S71 PolarHBondContact O-N 3.1Å; Q67-S71 PolarHBondContact O-OG 2.81Å; Q67-S71 VanDerWaalsContact O-OG 3.09Å; I68-S71 PolarHBondContact O-N 3.22Å |
| 72 | T | 63.9 | Low | 70.1 | Confident | 81 Ų | 81 | 91.6 Ų | 91.6 | 50% | 0.497 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.4 | -33.7 | 175 | -49.5 | 0 | 0 | 0 | 0 | 112.6 | I68 K69 S70 T74 Q75 | I68-T72 PolarHBondContact O-N 3.16Å; I68-T72 PolarHBondContact O-OG1 2.85Å; K69-T72 PolarHBondContact O-N 2.87Å; S70-T72 VanDerWaalsContact C-N 3.33Å; S70-T72 PolarHBondContact O-N 2.93Å; T72-T74 VanDerWaalsContact C-N 3.33Å; T72-Q75 PolarHBondContact O-N 3.25Å |
| 73 | S | 59.6 | Low | 69.4 | Low | 78 Ų | 78 | 98.1 Ų | 98.1 | 55% | 0.545 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -71.6 | -25.5 | 177 | 53 | 0 | 0 | 0 | 0 | 113.9 | K69 S70 Q75 | K69-S73 PolarHBondContact O-N 2.95Å; K69-S73 VanDerWaalsContact O-N 3.08Å; K69-S73 PolarHBondContact O-OG 3.49Å; S70-S73 WeakPolarHBondContact CA-OG 3.38Å; S70-S73 PolarHBondContact O-N 3.48Å; S70-S73 PolarHBondContact O-OG 3.47Å; S73-Q75 PolarHBondContact O-N 3.44Å |
| 74 | T | 59.4 | Low | 68.5 | Low | 121 Ų | 121 | 100.6 Ų | 100.6 | 74% | 0.742 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -11.3 | 175.5 | -48.5 | 0 | 0 | 0 | 0 | 112.5 | S70 T72 | S70-T74 PolarHBondContact O-N 3.33Å; S70-T74 PolarHBondContact O-OG1 3.37Å; S70-T74 VanDerWaalsContact O-OG1 3.08Å; T72-T74 VanDerWaalsContact C-N 3.33Å |
| 75 | Q | 54.8 | Low | 67.3 | Low | 176 Ų | 176 | 104.3 Ų | 104.3 | 82% | 0.822 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | 1.9 | -179.2 | -81.1 | -102.4 | -25 | 0 | 0 | 113.9 | T72 S73 | T72-Q75 PolarHBondContact O-N 3.25Å; S73-Q75 PolarHBondContact O-N 3.44Å |
| 76 | K | 47.8 | Very low | 66.2 | Low | 244 Ų | 244 | 108.5 Ų | 108.5 | 100% | 1.061 | 57% | 0.573 | S | S | * | * | trans | -109.7 | 0 | 172.4 | -81 | -169.2 | 174.1 | -168.6 | 0 | 110.4 |
Retrieved 76 of 76 residues in 125.8 ms
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