| 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 | 51.8 | Low | 62.4 | Low | 250 Ų | 250 | 129.4 Ų | 129.4 | 100% | 1.232 | 68% | 0.678 | S | S | * | * | 0 | 82 | 0 | -85.2 | 155.5 | 159.8 | 0 | 0 | 109.6 | |||||
| 2 | A | 61.8 | Low | 63.7 | Low | 82 Ų | 82 | 130.9 Ų | 130.9 | 68% | 0.678 | 68% | 0.675 | S | S | * | * | trans | -136.2 | -8.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 3 | T | 59.4 | Low | 64.9 | Low | 116 Ų | 116 | 127.7 Ų | 127.7 | 71% | 0.712 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -79.7 | -18.4 | -174.8 | 43.4 | 0 | 0 | 0 | 0 | 114.1 | N5 | T3-N5 VanDerWaalsContact C-N 3.33Å; T3-N5 PolarHBondContact O-N 3.36Å |
| 4 | M | 53.9 | Low | 66 | Low | 165 Ų | 165 | 122.9 Ų | 122.9 | 81% | 0.813 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -74.4 | -19 | -179.7 | -76.1 | 178.6 | 121.7 | 0 | 0 | 114.1 | ||
| 5 | N | 60.6 | Low | 67 | Low | 130 Ų | 130 | 121.7 Ų | 121.7 | 70% | 0.695 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -86.1 | -28.4 | -179.8 | -84.3 | -17.7 | 0 | 0 | 0 | 113.6 | T3 N8 L9 | T3-N5 VanDerWaalsContact C-N 3.33Å; T3-N5 PolarHBondContact O-N 3.36Å; N5-N8 PolarHBondContact O-N 2.77Å; N5-L9 PolarHBondContact O-N 2.65Å; N5-L9 VanDerWaalsContact O-N 3.17Å |
| 6 | L | 57.7 | Low | 67.8 | Low | 112 Ų | 112 | 122.1 Ų | 122.1 | 59% | 0.586 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -68 | -44.4 | -177.9 | -136.5 | 76.7 | 0 | 0 | 0 | 111.5 | N8 L9 D10 | L6-N8 PolarHBondContact O-N 3.34Å; L6-L9 WeakPolarHBondContact O-CB 3.43Å; L6-L9 PolarHBondContact O-N 2.89Å; L6-D10 PolarHBondContact O-N 3.49Å |
| 7 | F | 58.5 | Low | 68.6 | Low | 152 Ų | 152 | 119.1 Ų | 119.1 | 67% | 0.667 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -60 | -30.3 | 176.6 | -91.8 | -81.7 | 0 | 0 | 0 | 114 | K11 | F7-K11 VanDerWaalsContact O-CG 3.31Å; F7-K11 WeakPolarHBondContact O-CG 3.46Å; F7-K11 PolarHBondContact O-N 2.74Å |
| 8 | N | 64.3 | Low | 69.3 | Low | 92 Ų | 92 | 119.2 Ų | 119.2 | 49% | 0.492 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -78.7 | -30 | 175.5 | -90.2 | -51.6 | 0 | 0 | 0 | 112.2 | N5 L6 K12 | N5-N8 PolarHBondContact O-N 2.77Å; L6-N8 PolarHBondContact O-N 3.34Å; N8-K12 VanDerWaalsContact O-CG 3.26Å; N8-K12 WeakPolarHBondContact O-CG 3.01Å; N8-K12 PolarHBondContact O-N 3.12Å; N8-K12 VanDerWaalsContact O-N 3.16Å |
| 9 | L | 68.4 | Low | 69.8 | Low | 96 Ų | 96 | 120.1 Ų | 120.1 | 50% | 0.503 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -69.4 | -46.7 | 176.2 | -170 | 68.5 | 0 | 0 | 0 | 110.6 | N5 L6 K11 K12 I13 | N5-L9 PolarHBondContact O-N 2.65Å; N5-L9 VanDerWaalsContact O-N 3.17Å; L6-L9 WeakPolarHBondContact O-CB 3.43Å; L6-L9 PolarHBondContact O-N 2.89Å; L9-K11 VanDerWaalsContact C-N 3.31Å; L9-K11 PolarHBondContact O-N 3.44Å; L9-K12 PolarHBondContact O-N 3.29Å; L9-K12 VanDerWaalsContact O-N 3.11Å; L9-I13 HydrophobicContact CD2-CD1 4.49Å; L9-I13 HydrophobicContact CG-CD1 3.95Å; L9-I13 WeakPolarHBondContact O-CG1 3.21Å; L9-I13 PolarHBondContact O-N 3.45Å |
| 10 | D | 73.3 | Confident | 70.1 | Confident | 93 Ų | 93 | 116.5 Ų | 116.5 | 50% | 0.497 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -60.3 | -41.4 | 178.6 | -67.5 | -41.9 | 0 | 0 | 0 | 111.8 | L6 K12 I13 A14 | L6-D10 PolarHBondContact O-N 3.49Å; D10-K12 PolarHBondContact O-N 2.99Å; D10-I13 PolarHBondContact O-N 2.75Å; D10-A14 VanDerWaalsContact O-CB 3.27Å; D10-A14 WeakPolarHBondContact O-CB 3.27Å; D10-A14 PolarHBondContact O-N 3.03Å |
| 11 | K | 76.4 | Confident | 70.2 | Confident | 135 Ų | 135 | 116.3 Ų | 116.3 | 59% | 0.587 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -63.4 | -40.6 | 175.1 | -74.1 | 177.9 | -177.4 | -178.1 | 0 | 112.5 | F7 L9 A14 L15 | F7-K11 VanDerWaalsContact O-CG 3.31Å; F7-K11 WeakPolarHBondContact O-CG 3.46Å; F7-K11 PolarHBondContact O-N 2.74Å; L9-K11 VanDerWaalsContact C-N 3.31Å; L9-K11 PolarHBondContact O-N 3.44Å; K11-A14 PolarHBondContact O-N 2.8Å; K11-L15 WeakPolarHBondContact O-CB 3.08Å; K11-L15 PolarHBondContact O-N 2.9Å |
| 12 | K | 78 | Confident | 71.4 | Confident | 148 Ų | 148 | 107.7 Ų | 107.7 | 64% | 0.643 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -67.1 | -41.5 | 177.6 | -75.4 | 174.4 | -178.8 | -175 | 0 | 111.7 | N8 L9 D10 L15 L16 | N8-K12 VanDerWaalsContact O-CG 3.26Å; N8-K12 WeakPolarHBondContact O-CG 3.01Å; N8-K12 PolarHBondContact O-N 3.12Å; N8-K12 VanDerWaalsContact O-N 3.16Å; L9-K12 PolarHBondContact O-N 3.29Å; L9-K12 VanDerWaalsContact O-N 3.11Å; D10-K12 PolarHBondContact O-N 2.99Å; K12-L15 PolarHBondContact O-N 3.49Å; K12-L16 WeakPolarHBondContact O-CB 2.96Å; K12-L16 PolarHBondContact O-N 2.93Å |
| 13 | I | 80.3 | Confident | 71.8 | Confident | 89 Ų | 89 | 108.7 Ų | 108.7 | 46% | 0.456 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.3 | -45.7 | 176 | -64.4 | 166.1 | 0 | 0 | 0 | 109.7 | L9 D10 L15 L16 V17 | L9-I13 HydrophobicContact CD2-CD1 4.49Å; L9-I13 HydrophobicContact CG-CD1 3.95Å; L9-I13 WeakPolarHBondContact O-CG1 3.21Å; L9-I13 PolarHBondContact O-N 3.45Å; D10-I13 PolarHBondContact O-N 2.75Å; I13-L15 VanDerWaalsContact C-N 3.31Å; I13-L15 PolarHBondContact O-N 2.93Å; I13-L16 PolarHBondContact O-N 3.46Å; I13-L16 VanDerWaalsContact O-N 3.13Å; I13-V17 HydrophobicContact CG2-CG2 4.27Å; I13-V17 WeakPolarHBondContact O-CG2 3.33Å; I13-V17 PolarHBondContact O-N 2.92Å |
| 14 | A | 79.4 | Confident | 72.4 | Confident | 61 Ų | 61 | 108.7 Ų | 108.7 | 50% | 0.504 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -58.9 | -42.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | D10 K11 V17 L18 | D10-A14 VanDerWaalsContact O-CB 3.27Å; D10-A14 WeakPolarHBondContact O-CB 3.27Å; D10-A14 PolarHBondContact O-N 3.03Å; K11-A14 PolarHBondContact O-N 2.8Å; A14-V17 PolarHBondContact O-N 2.75Å; A14-L18 VanDerWaalsContact O-CB 3.28Å; A14-L18 WeakPolarHBondContact O-CB 3.23Å; A14-L18 PolarHBondContact O-N 3.3Å |
| 15 | L | 81.1 | Confident | 73.2 | Confident | 105 Ų | 105 | 107.4 Ų | 107.4 | 55% | 0.55 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.5 | -47.2 | 174.2 | -130.8 | 104.8 | 0 | 0 | 0 | 111.1 | K11 K12 I13 V17 L18 F19 | K11-L15 WeakPolarHBondContact O-CB 3.08Å; K11-L15 PolarHBondContact O-N 2.9Å; K12-L15 PolarHBondContact O-N 3.49Å; I13-L15 VanDerWaalsContact C-N 3.31Å; I13-L15 PolarHBondContact O-N 2.93Å; L15-V17 PolarHBondContact O-N 3.42Å; L15-L18 WeakPolarHBondContact O-CB 3.08Å; L15-L18 PolarHBondContact O-N 2.92Å; L15-F19 HydrophobicContact CD2-CD2 4.15Å; L15-F19 HydrophobicContact CD2-CE2 3.7Å; L15-F19 HydrophobicContact CG-CD2 4.39Å; L15-F19 HydrophobicContact CG-CE2 4.11Å; L15-F19 WeakPolarHBondContact O-CD2 3.43Å; L15-F19 PolarHBondContact O-N 3.47Å |
| 16 | L | 80.5 | Confident | 73.8 | Confident | 127 Ų | 127 | 106.9 Ų | 106.9 | 67% | 0.665 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.8 | -43 | -178.9 | -169 | 119.2 | 0 | 0 | 0 | 111.7 | K12 I13 F19 A20 | K12-L16 WeakPolarHBondContact O-CB 2.96Å; K12-L16 PolarHBondContact O-N 2.93Å; I13-L16 PolarHBondContact O-N 3.46Å; I13-L16 VanDerWaalsContact O-N 3.13Å; L16-F19 PolarHBondContact O-N 2.76Å; L16-A20 WeakPolarHBondContact O-CB 3.45Å; L16-A20 PolarHBondContact O-N 3.34Å |
| 17 | V | 80.8 | Confident | 74.3 | Confident | 71 Ų | 71 | 106.6 Ų | 106.6 | 43% | 0.43 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 175.1 | 173.8 | 0 | 0 | 0 | 0 | 110.7 | I13 A14 L15 F19 A20 L21 | I13-V17 HydrophobicContact CG2-CG2 4.27Å; I13-V17 WeakPolarHBondContact O-CG2 3.33Å; I13-V17 PolarHBondContact O-N 2.92Å; A14-V17 PolarHBondContact O-N 2.75Å; L15-V17 PolarHBondContact O-N 3.42Å; V17-F19 VanDerWaalsContact C-N 3.28Å; V17-F19 PolarHBondContact O-N 2.87Å; V17-A20 PolarHBondContact O-N 2.78Å; V17-L21 HydrophobicContact CG1-CD1 3.9Å; V17-L21 HydrophobicContact CG1-CG 4.21Å; V17-L21 VanDerWaalsContact O-CG 3.32Å; V17-L21 WeakPolarHBondContact O-CG 3.33Å; V17-L21 PolarHBondContact O-N 3.31Å |
| 18 | L | 82.2 | Confident | 74.5 | Confident | 121 Ų | 121 | 104.3 Ų | 104.3 | 63% | 0.634 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.8 | -33.6 | 178.5 | -170.5 | 68.3 | 0 | 0 | 0 | 112.6 | A14 L15 P22 | A14-L18 VanDerWaalsContact O-CB 3.28Å; A14-L18 WeakPolarHBondContact O-CB 3.23Å; A14-L18 PolarHBondContact O-N 3.3Å; L15-L18 WeakPolarHBondContact O-CB 3.08Å; L15-L18 PolarHBondContact O-N 2.92Å; L18-P22 WeakPolarHBondContact O-CD 3.33Å; L18-P22 WeakPolarHBondContact O-CG 3.24Å |
| 19 | F | 77.7 | Confident | 74.4 | Confident | 137 Ų | 137 | 106.3 Ų | 106.3 | 60% | 0.601 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -82.5 | -32.8 | 174.1 | -79.9 | -74.9 | 0 | 0 | 0 | 113.2 | L15 L16 V17 P22 | L15-F19 HydrophobicContact CD2-CD2 4.15Å; L15-F19 HydrophobicContact CD2-CE2 3.7Å; L15-F19 HydrophobicContact CG-CD2 4.39Å; L15-F19 HydrophobicContact CG-CE2 4.11Å; L15-F19 WeakPolarHBondContact O-CD2 3.43Å; L15-F19 PolarHBondContact O-N 3.47Å; L16-F19 PolarHBondContact O-N 2.76Å; V17-F19 VanDerWaalsContact C-N 3.28Å; V17-F19 PolarHBondContact O-N 2.87Å; F19-P22 WeakPolarHBondContact O-CD 3.14Å |
| 20 | A | 75.5 | Confident | 73.9 | Confident | 48 Ų | 48 | 105.2 Ų | 105.2 | 40% | 0.397 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -70.8 | -34.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L16 V17 L23 H24 | L16-A20 WeakPolarHBondContact O-CB 3.45Å; L16-A20 PolarHBondContact O-N 3.34Å; V17-A20 PolarHBondContact O-N 2.78Å; A20-L23 PolarHBondContact O-N 3.02Å; A20-H24 WeakPolarHBondContact O-CB 2.96Å; A20-H24 PolarHBondContact O-N 2.84Å |
| 21 | L | 73.8 | Confident | 73 | Confident | 113 Ų | 113 | 105.8 Ų | 105.8 | 59% | 0.592 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.9 | -48.5 | -178.1 | -72.3 | 170.8 | 0 | 0 | 0 | 113.2 | V17 L23 H24 Y25 | V17-L21 HydrophobicContact CG1-CD1 3.9Å; V17-L21 HydrophobicContact CG1-CG 4.21Å; V17-L21 VanDerWaalsContact O-CG 3.32Å; V17-L21 WeakPolarHBondContact O-CG 3.33Å; V17-L21 PolarHBondContact O-N 3.31Å; L21-L23 VanDerWaalsContact C-N 3.32Å; L21-L23 PolarHBondContact O-N 3.16Å; L21-H24 PolarHBondContact O-N 3.28Å; L21-Y25 PolarHBondContact O-N 3.48Å |
| 22 | P | 75 | Confident | 71.9 | Confident | 68 Ų | 68 | 102.4 Ų | 102.4 | 44% | 0.442 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.5 | -37 | 173.6 | -23.7 | 33.4 | 0 | 0 | 0 | 113 | L18 F19 Y25 I26 | L18-P22 WeakPolarHBondContact O-CD 3.33Å; L18-P22 WeakPolarHBondContact O-CG 3.24Å; F19-P22 WeakPolarHBondContact O-CD 3.14Å; P22-Y25 PolarHBondContact O-N 3.48Å; P22-I26 WeakPolarHBondContact O-CB 3.33Å; P22-I26 WeakPolarHBondContact O-CD1 3.33Å; P22-I26 VanDerWaalsContact O-CG1 3.22Å; P22-I26 WeakPolarHBondContact O-CG1 3.17Å; P22-I26 PolarHBondContact O-N 3.28Å |
| 23 | L | 72 | Confident | 70.6 | Confident | 104 Ų | 104 | 97.7 Ų | 97.7 | 55% | 0.545 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 175 | -91 | 159.6 | 0 | 0 | 0 | 111.5 | A20 L21 Y25 I26 L27 | A20-L23 PolarHBondContact O-N 3.02Å; L21-L23 VanDerWaalsContact C-N 3.32Å; L21-L23 PolarHBondContact O-N 3.16Å; L23-Y25 VanDerWaalsContact C-N 3.35Å; L23-I26 PolarHBondContact O-N 3.35Å; L23-L27 WeakPolarHBondContact O-CB 3.4Å; L23-L27 WeakPolarHBondContact O-CD1 3.25Å; L23-L27 WeakPolarHBondContact O-CG 3.26Å; L23-L27 PolarHBondContact O-N 3.18Å |
| 24 | H | 71.5 | Confident | 69.2 | Low | 115 Ų | 115 | 97.1 Ų | 97.1 | 53% | 0.532 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 174.8 | -145.4 | 77.1 | 0 | 0 | 0 | 110.9 | A20 L21 L27 F28 | A20-H24 WeakPolarHBondContact O-CB 2.96Å; A20-H24 PolarHBondContact O-N 2.84Å; L21-H24 PolarHBondContact O-N 3.28Å; H24-L27 PolarHBondContact O-N 3.26Å; H24-F28 AromaticContact CD2-CD2 3.73Å; H24-F28 AromaticContact CD2-CE2 3.99Å; H24-F28 AromaticContact CE1-CD2 3.75Å; H24-F28 AromaticContact CE1-CE2 3.19Å; H24-F28 WeakPolarHBondContact CE1-CE2 3.37Å; H24-F28 AromaticContact CE1-CZ 3.72Å; H24-F28 AromaticContact CG-CD2 3.8Å; H24-F28 AromaticContact CG-CE2 3.93Å; H24-F28 AromaticContact ND1-CD2 3.81Å; H24-F28 AromaticContact ND1-CE2 3.44Å; H24-F28 WeakPolarHBondContact ND1-CE2 3.16Å; H24-F28 AromaticContact NE2-CD2 3.71Å; H24-F28 AromaticContact NE2-CE2 3.55Å; H24-F28 VanDerWaalsContact O-CB 3.32Å; H24-F28 WeakPolarHBondContact O-CB 3.41Å; H24-F28 WeakPolarHBondContact O-CD2 3.32Å; H24-F28 PolarHBondContact O-N 3.08Å |
| 25 | Y | 71.2 | Confident | 67.9 | Low | 139 Ų | 139 | 98.7 Ų | 98.7 | 55% | 0.545 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.9 | -49.3 | 175.3 | -165.3 | -96.5 | 0 | 0 | 0 | 111.3 | L21 P22 L23 L27 F28 Y29 | L21-Y25 PolarHBondContact O-N 3.48Å; P22-Y25 PolarHBondContact O-N 3.48Å; L23-Y25 VanDerWaalsContact C-N 3.35Å; Y25-L27 VanDerWaalsContact C-N 3.34Å; Y25-L27 PolarHBondContact O-N 3.36Å; Y25-F28 PolarHBondContact O-N 3.01Å; Y25-Y29 HydrophobicContact CD1-CD2 4.36Å; Y25-Y29 HydrophobicContact CD1-CG 4.38Å; Y25-Y29 HydrophobicContact CD2-CD2 4.2Å; Y25-Y29 HydrophobicContact CE1-CD1 4.37Å; Y25-Y29 AromaticContact CE1-CD2 3.72Å; Y25-Y29 HydrophobicContact CE1-CD2 3.72Å; Y25-Y29 HydrophobicContact CE1-CE2 4.09Å; Y25-Y29 AromaticContact CE1-CG 3.88Å; Y25-Y29 HydrophobicContact CE1-CG 3.88Å; Y25-Y29 AromaticContact CE2-CD2 3.54Å; Y25-Y29 HydrophobicContact CE2-CD2 3.54Å; Y25-Y29 AromaticContact CE2-CE2 3.79Å; Y25-Y29 HydrophobicContact CE2-CE2 3.79Å; Y25-Y29 HydrophobicContact CE2-CG 4.45Å; Y25-Y29 AromaticContact CZ-CD2 3.28Å; Y25-Y29 AromaticContact CZ-CE2 3.35Å; Y25-Y29 AromaticContact CZ-CG 3.94Å; Y25-Y29 WeakPolarHBondContact O-CA 3.17Å; Y25-Y29 WeakPolarHBondContact O-CB 3.37Å; Y25-Y29 PolarHBondContact O-N 3.02Å; Y25-Y29 WeakPolarHBondContact OH-CD2 3.14Å; Y25-Y29 WeakPolarHBondContact OH-CE2 3.3Å |
| 26 | I | 71.7 | Confident | 66.6 | Low | 118 Ų | 118 | 100 Ų | 100 | 61% | 0.605 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.9 | -32.6 | -177.7 | -65 | 162.6 | 0 | 0 | 0 | 112.5 | P22 L23 P30 | P22-I26 WeakPolarHBondContact O-CB 3.33Å; P22-I26 WeakPolarHBondContact O-CD1 3.33Å; P22-I26 VanDerWaalsContact O-CG1 3.22Å; P22-I26 WeakPolarHBondContact O-CG1 3.17Å; P22-I26 PolarHBondContact O-N 3.28Å; L23-I26 PolarHBondContact O-N 3.35Å; I26-P30 WeakPolarHBondContact O-CD 3.37Å; I26-P30 WeakPolarHBondContact O-CG 2.96Å |
| 27 | L | 68.7 | Low | 65.1 | Low | 107 Ų | 107 | 102.1 Ų | 102.1 | 56% | 0.56 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -77.6 | -38.3 | 178.2 | -74.7 | 164.8 | 0 | 0 | 0 | 112.4 | L23 H24 Y25 L31 | L23-L27 WeakPolarHBondContact O-CB 3.4Å; L23-L27 WeakPolarHBondContact O-CD1 3.25Å; L23-L27 WeakPolarHBondContact O-CG 3.26Å; L23-L27 PolarHBondContact O-N 3.18Å; H24-L27 PolarHBondContact O-N 3.26Å; Y25-L27 VanDerWaalsContact C-N 3.34Å; Y25-L27 PolarHBondContact O-N 3.36Å; L27-L31 WeakPolarHBondContact O-CD1 3.47Å |
| 28 | F | 63.8 | Low | 63.5 | Low | 103 Ų | 103 | 104.9 Ų | 104.9 | 45% | 0.452 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -97.4 | -20.7 | -173.4 | -71.2 | -93.2 | 0 | 0 | 0 | 114.3 | H24 Y25 L31 S32 | H24-F28 AromaticContact CD2-CD2 3.73Å; H24-F28 AromaticContact CD2-CE2 3.99Å; H24-F28 AromaticContact CE1-CD2 3.75Å; H24-F28 AromaticContact CE1-CE2 3.19Å; H24-F28 WeakPolarHBondContact CE1-CE2 3.37Å; H24-F28 AromaticContact CE1-CZ 3.72Å; H24-F28 AromaticContact CG-CD2 3.8Å; H24-F28 AromaticContact CG-CE2 3.93Å; H24-F28 AromaticContact ND1-CD2 3.81Å; H24-F28 AromaticContact ND1-CE2 3.44Å; H24-F28 WeakPolarHBondContact ND1-CE2 3.16Å; H24-F28 AromaticContact NE2-CD2 3.71Å; H24-F28 AromaticContact NE2-CE2 3.55Å; H24-F28 VanDerWaalsContact O-CB 3.32Å; H24-F28 WeakPolarHBondContact O-CB 3.41Å; H24-F28 WeakPolarHBondContact O-CD2 3.32Å; H24-F28 PolarHBondContact O-N 3.08Å; Y25-F28 PolarHBondContact O-N 3.01Å; F28-L31 HydrophobicContact CD1-CD1 4.45Å; F28-L31 PolarHBondContact O-N 2.85Å; F28-S32 WeakPolarHBondContact O-CB 3.23Å; F28-S32 PolarHBondContact O-N 3.22Å; F28-S32 PolarHBondContact O-OG 3.13Å |
| 29 | Y | 61.8 | Low | 62 | Low | 134 Ų | 134 | 103.8 Ų | 103.8 | 53% | 0.525 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.2 | -42.1 | 174.7 | -152.9 | -99.8 | 0 | 0 | 0 | 113.6 | Y25 L31 S32 A33 | Y25-Y29 HydrophobicContact CD1-CD2 4.36Å; Y25-Y29 HydrophobicContact CD1-CG 4.38Å; Y25-Y29 HydrophobicContact CD2-CD2 4.2Å; Y25-Y29 HydrophobicContact CE1-CD1 4.37Å; Y25-Y29 AromaticContact CE1-CD2 3.72Å; Y25-Y29 HydrophobicContact CE1-CD2 3.72Å; Y25-Y29 HydrophobicContact CE1-CE2 4.09Å; Y25-Y29 AromaticContact CE1-CG 3.88Å; Y25-Y29 HydrophobicContact CE1-CG 3.88Å; Y25-Y29 AromaticContact CE2-CD2 3.54Å; Y25-Y29 HydrophobicContact CE2-CD2 3.54Å; Y25-Y29 AromaticContact CE2-CE2 3.79Å; Y25-Y29 HydrophobicContact CE2-CE2 3.79Å; Y25-Y29 HydrophobicContact CE2-CG 4.45Å; Y25-Y29 AromaticContact CZ-CD2 3.28Å; Y25-Y29 AromaticContact CZ-CE2 3.35Å; Y25-Y29 AromaticContact CZ-CG 3.94Å; Y25-Y29 WeakPolarHBondContact O-CA 3.17Å; Y25-Y29 WeakPolarHBondContact O-CB 3.37Å; Y25-Y29 PolarHBondContact O-N 3.02Å; Y25-Y29 WeakPolarHBondContact OH-CD2 3.14Å; Y25-Y29 WeakPolarHBondContact OH-CE2 3.3Å; Y29-L31 VanDerWaalsContact C-N 3.3Å; Y29-L31 PolarHBondContact O-N 3.46Å; Y29-S32 PolarHBondContact O-N 2.97Å; Y29-A33 WeakPolarHBondContact O-CB 3.2Å; Y29-A33 PolarHBondContact O-N 3.45Å |
| 30 | P | 57.3 | Low | 60.6 | Low | 73 Ų | 73 | 104.6 Ų | 104.6 | 47% | 0.474 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -70.5 | -26.9 | 174.3 | 27 | -32.7 | 0 | 0 | 0 | 112.4 | I26 S32 S34 | I26-P30 WeakPolarHBondContact O-CD 3.37Å; I26-P30 WeakPolarHBondContact O-CG 2.96Å; P30-S32 VanDerWaalsContact C-N 3.35Å; P30-S34 VanDerWaalsContact O-CB 3.23Å; P30-S34 WeakPolarHBondContact O-CB 3.46Å; P30-S34 PolarHBondContact O-N 3.35Å; P30-S34 VanDerWaalsContact O-N 3.09Å; P30-S34 PolarHBondContact O-OG 2.69Å |
| 31 | L | 54.5 | Low | 59.4 | Low | 106 Ų | 106 | 106.6 Ų | 106.6 | 56% | 0.555 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -69.5 | -33.5 | 171.5 | -76.3 | 163 | 0 | 0 | 0 | 111.8 | L27 F28 Y29 S34 V35 | L27-L31 WeakPolarHBondContact O-CD1 3.47Å; F28-L31 HydrophobicContact CD1-CD1 4.45Å; F28-L31 PolarHBondContact O-N 2.85Å; Y29-L31 VanDerWaalsContact C-N 3.3Å; Y29-L31 PolarHBondContact O-N 3.46Å; L31-S34 PolarHBondContact O-OG 3.35Å; L31-V35 WeakPolarHBondContact O-CG2 2.97Å |
| 32 | S | 53.6 | Low | 58.3 | Low | 64 Ų | 64 | 105.3 Ų | 105.3 | 45% | 0.448 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -82.5 | -36.7 | 178.8 | -55.8 | 0 | 0 | 0 | 0 | 112.4 | F28 Y29 P30 I36 | F28-S32 WeakPolarHBondContact O-CB 3.23Å; F28-S32 PolarHBondContact O-N 3.22Å; F28-S32 PolarHBondContact O-OG 3.13Å; Y29-S32 PolarHBondContact O-N 2.97Å; P30-S32 VanDerWaalsContact C-N 3.35Å; S32-I36 WeakPolarHBondContact O-CD1 2.87Å; S32-I36 VanDerWaalsContact O-CG1 3.3Å; S32-I36 WeakPolarHBondContact O-CG1 3.45Å |
| 33 | A | 50.9 | Low | 57.1 | Low | 48 Ų | 48 | 108.4 Ų | 108.4 | 40% | 0.397 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -70.8 | -37.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y29 V35 I36 E37 | Y29-A33 WeakPolarHBondContact O-CB 3.2Å; Y29-A33 PolarHBondContact O-N 3.45Å; A33-V35 VanDerWaalsContact C-N 3.27Å; A33-V35 PolarHBondContact O-N 3.09Å; A33-I36 PolarHBondContact O-N 3.04Å; A33-E37 PolarHBondContact O-N 3.16Å |
| 34 | S | 50.9 | Low | 56 | Low | 78 Ų | 78 | 111.2 Ų | 111.2 | 55% | 0.545 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -71.1 | -18.9 | 178.1 | 58.3 | 0 | 0 | 0 | 0 | 114.3 | P30 L31 | P30-S34 VanDerWaalsContact O-CB 3.23Å; P30-S34 WeakPolarHBondContact O-CB 3.46Å; P30-S34 PolarHBondContact O-N 3.35Å; P30-S34 VanDerWaalsContact O-N 3.09Å; P30-S34 PolarHBondContact O-OG 2.69Å; L31-S34 PolarHBondContact O-OG 3.35Å |
| 35 | V | 50.9 | Low | 55.1 | Low | 94 Ų | 94 | 110.4 Ų | 110.4 | 57% | 0.57 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -86 | -20 | 174.9 | 174.6 | 0 | 0 | 0 | 0 | 112.1 | L31 A33 | L31-V35 WeakPolarHBondContact O-CG2 2.97Å; A33-V35 VanDerWaalsContact C-N 3.27Å; A33-V35 PolarHBondContact O-N 3.09Å |
| 36 | I | 54.5 | Low | 54.2 | Low | 132 Ų | 132 | 107.1 Ų | 107.1 | 68% | 0.677 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -102 | -16.5 | -172 | -63 | 170.6 | 0 | 0 | 0 | 113.2 | S32 A33 K38 | S32-I36 WeakPolarHBondContact O-CD1 2.87Å; S32-I36 VanDerWaalsContact O-CG1 3.3Å; S32-I36 WeakPolarHBondContact O-CG1 3.45Å; A33-I36 PolarHBondContact O-N 3.04Å; I36-K38 PolarHBondContact O-N 3.11Å |
| 37 | E | 49.6 | Very low | 53.2 | Low | 171 Ų | 171 | 106.7 Ų | 106.7 | 80% | 0.799 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -74 | -2.1 | 177.8 | -82 | -165.5 | 152 | 0 | 0 | 115.3 | A33 | A33-E37 PolarHBondContact O-N 3.16Š|
| 38 | K | 46.7 | Very low | 52.5 | Low | 130 Ų | 130 | 108.2 Ų | 108.2 | 57% | 0.565 | 56% | 0.561 | S | S | * | * | trans | -135.2 | 73.3 | 177.5 | -80.3 | 153.2 | 158.5 | -175.7 | 0 | 111.9 | I36 E40 L41 | I36-K38 PolarHBondContact O-N 3.11Å; K38-E40 PolarHBondContact O-N 3.35Å; K38-E40 VanDerWaalsContact O-N 3.08Å; K38-L41 HydrophobicContact CB-CB 4.07Å; K38-L41 HydrophobicContact CB-CD1 3.81Å; K38-L41 HydrophobicContact CB-CG 4.43Å; K38-L41 HydrophobicContact CD-CD1 3.42Å; K38-L41 VanDerWaalsContact CD-CD1 3.42Å; K38-L41 HydrophobicContact CG-CD1 3.79Å; K38-L41 PolarHBondContact O-N 2.8Å | ||
| 39 | P | 49.9 | Very low | 52.1 | Low | 98 Ų | 98 | 106.4 Ų | 106.4 | 64% | 0.636 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -57 | -22.9 | 170.9 | 23.6 | -32.5 | 0 | 0 | 0 | 112.4 | H43 | P39-H43 PolarHBondContact O-N 3.24Å |
| 40 | E | 49.5 | Very low | 51.7 | Low | 154 Ų | 154 | 104.4 Ų | 104.4 | 72% | 0.72 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -72.1 | -25.2 | 175.7 | -69.9 | -165.8 | 146.9 | 0 | 0 | 114.7 | K38 R44 | K38-E40 PolarHBondContact O-N 3.35Å; K38-E40 VanDerWaalsContact O-N 3.08Å; E40-R44 WeakPolarHBondContact O-CG 3.15Å; E40-R44 PolarHBondContact O-N 3.4Å |
| 41 | L | 50.1 | Low | 51.5 | Low | 89 Ų | 89 | 106.3 Ų | 106.3 | 47% | 0.466 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -88.7 | -32.9 | -178.4 | -85.3 | 148.6 | 0 | 0 | 0 | 112.4 | K38 R44 V45 | K38-L41 HydrophobicContact CB-CB 4.07Å; K38-L41 HydrophobicContact CB-CD1 3.81Å; K38-L41 HydrophobicContact CB-CG 4.43Å; K38-L41 HydrophobicContact CD-CD1 3.42Å; K38-L41 VanDerWaalsContact CD-CD1 3.42Å; K38-L41 HydrophobicContact CG-CD1 3.79Å; K38-L41 PolarHBondContact O-N 2.8Å; L41-R44 PolarHBondContact O-N 2.87Å; L41-V45 WeakPolarHBondContact O-CG2 3.4Å; L41-V45 PolarHBondContact O-N 3.1Å |
| 42 | V | 50.4 | Low | 51.3 | Low | 86 Ų | 86 | 104.6 Ų | 104.6 | 52% | 0.521 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -69.3 | -36.5 | 176 | -176.8 | 0 | 0 | 0 | 0 | 111 | V45 S46 | V42-V45 PolarHBondContact O-N 3.43Å; V42-S46 PolarHBondContact O-N 3.28Å |
| 43 | H | 49.7 | Very low | 51.4 | Low | 134 Ų | 134 | 106.1 Ų | 106.1 | 62% | 0.62 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.5 | -39.1 | 172.1 | -112.7 | -74.6 | 0 | 0 | 0 | 112.6 | P39 S46 Q47 | P39-H43 PolarHBondContact O-N 3.24Å; H43-S46 PolarHBondContact O-N 2.9Å; H43-Q47 WeakPolarHBondContact O-CB 3.44Å; H43-Q47 PolarHBondContact O-N 3.39Å |
| 44 | R | 49.7 | Very low | 51.5 | Low | 163 Ų | 163 | 106.3 Ų | 106.3 | 62% | 0.615 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -69.8 | -31.4 | 176.6 | -77.4 | -172.2 | 178.8 | -177.9 | 3.2 | 113.3 | E40 L41 K48 | E40-R44 WeakPolarHBondContact O-CG 3.15Å; E40-R44 PolarHBondContact O-N 3.4Å; L41-R44 PolarHBondContact O-N 2.87Å; R44-K48 VanDerWaalsContact O-CB 3.25Å; R44-K48 WeakPolarHBondContact O-CB 3.19Å; R44-K48 VanDerWaalsContact O-CG 3.26Å; R44-K48 WeakPolarHBondContact O-CG 3.21Å; R44-K48 PolarHBondContact O-N 2.98Å |
| 45 | V | 51.8 | Low | 51.4 | Low | 97 Ų | 97 | 108.6 Ų | 108.6 | 59% | 0.588 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -75.8 | -37.3 | 176.2 | 176.4 | 0 | 0 | 0 | 0 | 111 | L41 V42 S49 | L41-V45 WeakPolarHBondContact O-CG2 3.4Å; L41-V45 PolarHBondContact O-N 3.1Å; V42-V45 PolarHBondContact O-N 3.43Å; V45-S49 WeakPolarHBondContact O-CB 3.32Å; V45-S49 PolarHBondContact O-N 3.37Å |
| 46 | S | 52.4 | Low | 51.5 | Low | 70 Ų | 70 | 111.1 Ų | 111.1 | 49% | 0.49 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -67.1 | -43 | 172.7 | -179 | 0 | 0 | 0 | 0 | 111.8 | V42 H43 S49 V50 | V42-S46 PolarHBondContact O-N 3.28Å; H43-S46 PolarHBondContact O-N 2.9Å; S46-S49 PolarHBondContact O-N 3.26Å; S46-V50 WeakPolarHBondContact O-CG2 3.4Å; S46-V50 PolarHBondContact O-N 3.44Å |
| 47 | Q | 51.2 | Low | 51.4 | Low | 110 Ų | 110 | 108.7 Ų | 108.7 | 51% | 0.514 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.6 | -43.5 | 174.3 | -81.8 | -178.9 | -38.4 | 0 | 0 | 112.3 | H43 S49 V50 E51 | H43-Q47 WeakPolarHBondContact O-CB 3.44Å; H43-Q47 PolarHBondContact O-N 3.39Å; Q47-S49 VanDerWaalsContact C-N 3.32Å; Q47-S49 PolarHBondContact O-N 2.96Å; Q47-V50 PolarHBondContact O-N 2.82Å; Q47-E51 VanDerWaalsContact O-CB 3.27Å; Q47-E51 WeakPolarHBondContact O-CB 3.48Å; Q47-E51 WeakPolarHBondContact O-CG 3.44Å; Q47-E51 PolarHBondContact O-N 3.43Å |
| 48 | K | 54.3 | Low | 51.2 | Low | 138 Ų | 138 | 103.8 Ų | 103.8 | 60% | 0.6 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.4 | -30.9 | 175.6 | -77.5 | -179.1 | 176.7 | -172.4 | 0 | 113.5 | R44 S52 | R44-K48 VanDerWaalsContact O-CB 3.25Å; R44-K48 WeakPolarHBondContact O-CB 3.19Å; R44-K48 VanDerWaalsContact O-CG 3.26Å; R44-K48 WeakPolarHBondContact O-CG 3.21Å; R44-K48 PolarHBondContact O-N 2.98Å; K48-S52 WeakPolarHBondContact O-CB 3.47Å; K48-S52 PolarHBondContact O-N 2.89Å; K48-S52 PolarHBondContact O-OG 3.07Å |
| 49 | S | 54.1 | Low | 51.4 | Low | 65 Ų | 65 | 99.8 Ų | 99.8 | 46% | 0.455 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -69 | -42.7 | 174 | 169 | 0 | 0 | 0 | 0 | 111.1 | V45 S46 Q47 S52 V53 | V45-S49 WeakPolarHBondContact O-CB 3.32Å; V45-S49 PolarHBondContact O-N 3.37Å; S46-S49 PolarHBondContact O-N 3.26Å; Q47-S49 VanDerWaalsContact C-N 3.32Å; Q47-S49 PolarHBondContact O-N 2.96Å; S49-S52 PolarHBondContact O-N 3.49Å; S49-V53 WeakPolarHBondContact O-CB 3.48Å; S49-V53 WeakPolarHBondContact O-CG2 2.93Å; S49-V53 PolarHBondContact O-N 3.35Å |
| 50 | V | 54.5 | Low | 51.7 | Low | 93 Ų | 93 | 98.8 Ų | 98.8 | 56% | 0.564 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -72 | -37.3 | 176.4 | 174.7 | 0 | 0 | 0 | 0 | 110.8 | S46 Q47 V53 A54 | S46-V50 WeakPolarHBondContact O-CG2 3.4Å; S46-V50 PolarHBondContact O-N 3.44Å; Q47-V50 PolarHBondContact O-N 2.82Å; V50-V53 PolarHBondContact O-N 3.23Å; V50-A54 WeakPolarHBondContact O-CB 3.32Å; V50-A54 PolarHBondContact O-N 2.96Å |
| 51 | E | 51.5 | Low | 52 | Low | 113 Ų | 113 | 95.8 Ų | 95.8 | 53% | 0.528 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.8 | -33.7 | 173.4 | -74.8 | 168.7 | -177.7 | 0 | 0 | 111.9 | Q47 M55 | Q47-E51 VanDerWaalsContact O-CB 3.27Å; Q47-E51 WeakPolarHBondContact O-CB 3.48Å; Q47-E51 WeakPolarHBondContact O-CG 3.44Å; Q47-E51 PolarHBondContact O-N 3.43Å; E51-M55 WeakPolarHBondContact O-CA 3.22Å; E51-M55 WeakPolarHBondContact O-CB 3.47Å; E51-M55 VanDerWaalsContact O-CG 3.23Å; E51-M55 WeakPolarHBondContact O-CG 3.32Å; E51-M55 PolarHBondContact O-N 3.02Å |
| 52 | S | 51.6 | Low | 52.3 | Low | 69 Ų | 69 | 95.4 Ų | 95.4 | 48% | 0.483 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -75.9 | -35.4 | 175.4 | -65.6 | 0 | 0 | 0 | 0 | 112 | K48 S49 L56 | K48-S52 WeakPolarHBondContact O-CB 3.47Å; K48-S52 PolarHBondContact O-N 2.89Å; K48-S52 PolarHBondContact O-OG 3.07Å; S49-S52 PolarHBondContact O-N 3.49Å; S52-L56 WeakPolarHBondContact O-CB 3.33Å; S52-L56 WeakPolarHBondContact O-CD1 3.28Å; S52-L56 WeakPolarHBondContact O-CG 3.48Å; S52-L56 PolarHBondContact O-N 2.92Å |
| 53 | V | 55.3 | Low | 52.6 | Low | 96 Ų | 96 | 96.4 Ų | 96.4 | 58% | 0.582 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -73.2 | -35.4 | 173.3 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | S49 V50 L56 A57 | S49-V53 WeakPolarHBondContact O-CB 3.48Å; S49-V53 WeakPolarHBondContact O-CG2 2.93Å; S49-V53 PolarHBondContact O-N 3.35Å; V50-V53 PolarHBondContact O-N 3.23Å; V53-L56 PolarHBondContact O-N 2.93Å; V53-A57 PolarHBondContact O-N 2.85Å |
| 54 | A | 52.1 | Low | 52.6 | Low | 52 Ų | 52 | 99.6 Ų | 99.6 | 43% | 0.43 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -71.6 | -38.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V50 L56 A57 S58 | V50-A54 WeakPolarHBondContact O-CB 3.32Å; V50-A54 PolarHBondContact O-N 2.96Å; A54-L56 VanDerWaalsContact C-N 3.29Å; A54-L56 PolarHBondContact O-N 3.5Å; A54-A57 CarbonylContact O-C 3.58Å; A54-A57 PolarHBondContact O-N 3.5Å; A54-A57 VanDerWaalsContact O-N 3.12Å; A54-S58 WeakPolarHBondContact O-CB 3.27Å; A54-S58 PolarHBondContact O-N 3.38Å; A54-S58 PolarHBondContact O-OG 3.4Å |
| 55 | M | 50.3 | Low | 52.4 | Low | 126 Ų | 126 | 95 Ų | 95 | 62% | 0.621 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -69.1 | -23.7 | 172.4 | -84.1 | -165 | 142.7 | 0 | 0 | 113.4 | E51 A57 S58 | E51-M55 WeakPolarHBondContact O-CA 3.22Å; E51-M55 WeakPolarHBondContact O-CB 3.47Å; E51-M55 VanDerWaalsContact O-CG 3.23Å; E51-M55 WeakPolarHBondContact O-CG 3.32Å; E51-M55 PolarHBondContact O-N 3.02Å; M55-A57 VanDerWaalsContact C-N 3.33Å; M55-S58 WeakPolarHBondContact CA-OG 3.35Å |
| 56 | L | 53.4 | Low | 52.3 | Low | 147 Ų | 147 | 97.7 Ų | 97.7 | 77% | 0.77 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -74.9 | -23.5 | 170.1 | -81.7 | 161.7 | 0 | 0 | 0 | 112.5 | S52 V53 A54 | S52-L56 WeakPolarHBondContact O-CB 3.33Å; S52-L56 WeakPolarHBondContact O-CD1 3.28Å; S52-L56 WeakPolarHBondContact O-CG 3.48Å; S52-L56 PolarHBondContact O-N 2.92Å; V53-L56 PolarHBondContact O-N 2.93Å; A54-L56 VanDerWaalsContact C-N 3.29Å; A54-L56 PolarHBondContact O-N 3.5Å |
| 57 | A | 52.2 | Low | 52.3 | Low | 81 Ų | 81 | 100.5 Ų | 100.5 | 67% | 0.669 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -93.4 | -29.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | V53 A54 M55 E59 | V53-A57 PolarHBondContact O-N 2.85Å; A54-A57 CarbonylContact O-C 3.58Å; A54-A57 PolarHBondContact O-N 3.5Å; A54-A57 VanDerWaalsContact O-N 3.12Å; M55-A57 VanDerWaalsContact C-N 3.33Å; A57-E59 PolarHBondContact O-N 2.85Å |
| 58 | S | 43.9 | Very low | 52.1 | Low | 69 Ų | 69 | 98.4 Ų | 98.4 | 48% | 0.483 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -95.5 | 84.6 | 177.1 | 68.7 | 0 | 0 | 0 | 0 | 109.2 | A54 M55 P60 | A54-S58 WeakPolarHBondContact O-CB 3.27Å; A54-S58 PolarHBondContact O-N 3.38Å; A54-S58 PolarHBondContact O-OG 3.4Å; M55-S58 WeakPolarHBondContact CA-OG 3.35Å; S58-P60 WeakPolarHBondContact O-CD 3.21Å; S58-P60 WeakPolarHBondContact O-CG 3.33Å |
| 59 | E | 50.9 | Low | 51.9 | Low | 45 Ų | 45 | 97.6 Ų | 97.6 | 21% | 0.21 | 61% | 0.605 | C | S | . | * | trans | -56.1 | 106.1 | -174.8 | -160.6 | -101.9 | -176.9 | 0 | 0 | 110.7 | A57 P88 Y89 R90 | A57-E59 PolarHBondContact O-N 2.85Å; E59-P88 HydrophobicContact CG-CB 4.01Å; E59-P88 VanDerWaalsContact OE1-O 3.1Å; E59-Y89 WeakPolarHBondContact CG-O 3.21Å; E59-Y89 WeakPolarHBondContact OE1-CA 3.26Å; E59-Y89 PolarHBondContact OE1-N 3.02Å; E59-R90 VanDerWaalsContact CD-CA 3.42Å; E59-R90 VanDerWaalsContact CD-N 3.29Å; E59-R90 PolarHBondContact OE1-N 2.98Å; E59-R90 WeakPolarHBondContact OE2-CA 3.31Å; E59-R90 WeakPolarHBondContact OE2-CB 3.44Å; E59-R90 WeakPolarHBondContact OE2-CG 3.4Å; E59-R90 PolarHBondContact OE2-N 3.13Å | ||
| 60 | P | 55.8 | Low | 51.5 | Low | 77 Ų | 77 | 106.2 Ų | 106.2 | 50% | 0.5 | 63% | 0.627 | S | S | . | * | trans | -95.5 | 136.2 | 178.4 | 13.1 | 7.3 | 0 | 0 | 0 | 108.9 | S58 | S58-P60 WeakPolarHBondContact O-CD 3.21Å; S58-P60 WeakPolarHBondContact O-CG 3.33Å | ||
| 61 | D | 56.2 | Low | 51.3 | Low | 92 Ų | 92 | 109.3 Ų | 109.3 | 49% | 0.492 | 64% | 0.64 | S | S | . | * | trans | -44.4 | 131.1 | 177.7 | -66.3 | -60.7 | 0 | 0 | 0 | 112 | P63 R90 | D61-P63 VanDerWaalsContact O-CD 3.24Å; D61-P63 WeakPolarHBondContact O-CD 3.37Å; D61-P63 VanDerWaalsContact O-N 3.11Å; D61-R90 IonicContact OD1-CZ 2.93Å; D61-R90 IonicContact OD1-NE 2.77Å; D61-R90 PolarHBondContact OD1-NE 3.17Å; D61-R90 IonicContact OD1-NH1 3.89Å; D61-R90 IonicContact OD1-NH2 2.89Å; D61-R90 PolarHBondContact OD1-NH2 3.19Å; D61-R90 IonicContact OD2-CZ 3.5Å; D61-R90 IonicContact OD2-NE 3.69Å; D61-R90 IonicContact OD2-NH2 2.65Å; D61-R90 PolarHBondContact OD2-NH2 3.37Å | ||
| 62 | P | 57.6 | Low | 51 | Low | 80 Ų | 80 | 108.5 Ų | 108.5 | 52% | 0.519 | 65% | 0.652 | S | S | . | * | trans | -62.1 | 119.8 | -173.1 | 23.4 | -32.4 | 0 | 0 | 0 | 109.9 | Q64 | P62-Q64 PolarHBondContact O-N 3.49Š| ||
| 63 | P | 56.3 | Low | 50.9 | Low | 107 Ų | 107 | 111 Ų | 111 | 70% | 0.695 | 66% | 0.66 | S | S | * | * | trans | -65.5 | 125.3 | 171.6 | 25.8 | -30.6 | 0 | 0 | 0 | 108.6 | D61 G65 | D61-P63 VanDerWaalsContact O-CD 3.24Å; D61-P63 WeakPolarHBondContact O-CD 3.37Å; D61-P63 VanDerWaalsContact O-N 3.11Å; P63-G65 PolarHBondContact O-N 3.41Å; P63-G65 VanDerWaalsContact O-N 3.16Å | ||
| 64 | Q | 50 | Low | 50.4 | Low | 201 Ų | 201 | 112.6 Ų | 112.6 | 94% | 0.939 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -59.3 | 114.9 | 170.4 | -68.9 | 177.6 | -11.9 | 0 | 0 | 108.8 | P62 | P62-Q64 PolarHBondContact O-N 3.49Š|
| 65 | G | 46 | Very low | 50.4 | Low | 67 Ų | 67 | 114 Ų | 114 | 69% | 0.691 | 69% | 0.692 | S | S | * | * | trans | 99.1 | 81.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | P63 V67 | P63-G65 PolarHBondContact O-N 3.41Å; P63-G65 VanDerWaalsContact O-N 3.16Å; G65-V67 PolarHBondContact O-N 3.36Å | ||
| 66 | I | 48.9 | Very low | 50.1 | Low | 153 Ų | 153 | 112.6 Ų | 112.6 | 79% | 0.785 | 69% | 0.69 | S | S | * | * | trans | -82.9 | 95.4 | 160.6 | -57.4 | 173.6 | 0 | 0 | 0 | 107 | G68 | I66-G68 PolarHBondContact O-N 2.99Š| ||
| 67 | V | 52.4 | Low | 49.9 | Very low | 129 Ų | 129 | 113.7 Ų | 113.7 | 78% | 0.782 | 70% | 0.697 | S | S | * | * | trans | -71.8 | 119.7 | 163.3 | -178.8 | 0 | 0 | 0 | 0 | 106.5 | G65 C69 | G65-V67 PolarHBondContact O-N 3.36Å; V67-C69 PolarHBondContact O-N 3.18Å; V67-C69 VanDerWaalsContact O-N 3.13Å | ||
| 68 | G | 47.6 | Very low | 49.7 | Very low | 67 Ų | 67 | 114.6 Ų | 114.6 | 69% | 0.691 | 69% | 0.694 | S | S | * | * | trans | -50.4 | 116.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | I66 R70 | I66-G68 PolarHBondContact O-N 2.99Å; G68-R70 PolarHBondContact O-N 3.44Å; G68-R70 VanDerWaalsContact O-N 3.16Å | ||
| 69 | C | 48.3 | Very low | 50.1 | Low | 121 Ų | 121 | 117.7 Ų | 117.7 | 82% | 0.818 | 71% | 0.709 | S | S | * | * | trans | -73 | 104.2 | 168.3 | -69.2 | 0 | 0 | 0 | 0 | 108.5 | V67 L71 | V67-C69 PolarHBondContact O-N 3.18Å; V67-C69 VanDerWaalsContact O-N 3.13Å; C69-L71 PolarHBondContact O-N 2.9Å | ||
| 70 | R | 47.2 | Very low | 50.2 | Low | 245 Ų | 245 | 122 Ų | 122 | 93% | 0.925 | 73% | 0.733 | S | S | * | * | trans | -62.7 | 103 | 164.1 | -91.7 | -174.1 | 169.1 | -164.1 | -3.7 | 108.7 | G68 A72 | G68-R70 PolarHBondContact O-N 3.44Å; G68-R70 VanDerWaalsContact O-N 3.16Å; R70-A72 VanDerWaalsContact C-N 3.31Å; R70-A72 PolarHBondContact O-N 2.85Å; R70-A72 VanDerWaalsContact O-N 3.11Å | ||
| 71 | L | 49 | Very low | 49.7 | Very low | 159 Ų | 159 | 123.7 Ų | 123.7 | 83% | 0.832 | 74% | 0.744 | S | S | * | * | trans | -73.2 | 91.2 | 158.1 | -92.1 | 150.7 | 0 | 0 | 0 | 107.5 | C69 L73 | C69-L71 PolarHBondContact O-N 2.9Å; L71-L73 PolarHBondContact O-N 3.41Å; L71-L73 VanDerWaalsContact O-N 3.1Å | ||
| 72 | A | 46.7 | Very low | 49.4 | Very low | 95 Ų | 95 | 126 Ų | 126 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | -76.2 | 89.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | R70 | R70-A72 VanDerWaalsContact C-N 3.31Å; R70-A72 PolarHBondContact O-N 2.85Å; R70-A72 VanDerWaalsContact O-N 3.11Å | ||
| 73 | L | 49.3 | Very low | 49.1 | Very low | 121 Ų | 121 | 128.8 Ų | 128.8 | 63% | 0.634 | 78% | 0.776 | S | S | * | * | trans | -77.2 | 125.7 | 161.3 | -80.6 | 153.4 | 0 | 0 | 0 | 107.4 | L71 G75 | L71-L73 PolarHBondContact O-N 3.41Å; L71-L73 VanDerWaalsContact O-N 3.1Å; L73-G75 PolarHBondContact O-N 3.36Å | ||
| 74 | P | 44.3 | Very low | 48.5 | Very low | 131 Ų | 131 | 132.6 Ų | 132.6 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | 115.3 | 179.7 | 26.5 | -30.6 | 0 | 0 | 0 | 108.7 | ||
| 75 | G | 52.7 | Low | 48.1 | Very low | 82 Ų | 82 | 126.3 Ų | 126.3 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 100.5 | 8.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | L73 | L73-G75 PolarHBondContact O-N 3.36Š|
| 76 | V | 44.1 | Very low | 48.1 | Very low | 95 Ų | 95 | 132.5 Ų | 132.5 | 58% | 0.576 | 79% | 0.788 | S | S | * | * | trans | -136.6 | 101.2 | 172.7 | -157.6 | 0 | 0 | 0 | 0 | 110.8 | V78 | V76-V78 VanDerWaalsContact C-N 3.28Å; V76-V78 HydrophobicContact CB-CG2 4.17Å; V76-V78 HydrophobicContact CG1-CG2 3.33Å; V76-V78 PolarHBondContact O-N 3.11Å | ||
| 77 | D | 48.4 | Very low | 48.1 | Very low | 170 Ų | 170 | 136.4 Ų | 136.4 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | -73.5 | 81.9 | 169.2 | -81 | -39.1 | 0 | 0 | 0 | 109.5 | ||||
| 78 | V | 49.1 | Very low | 48.1 | Very low | 100 Ų | 100 | 133.8 Ų | 133.8 | 61% | 0.606 | 78% | 0.778 | S | S | * | * | trans | -96.8 | 95.6 | 170.3 | -170.8 | 0 | 0 | 0 | 0 | 108.9 | V76 L80 | V76-V78 VanDerWaalsContact C-N 3.28Å; V76-V78 HydrophobicContact CB-CG2 4.17Å; V76-V78 HydrophobicContact CG1-CG2 3.33Å; V76-V78 PolarHBondContact O-N 3.11Å; V78-L80 HydrophobicContact CG1-CD1 4.02Å; V78-L80 HydrophobicContact CG1-CG 3.88Å | ||
| 79 | V | 51.1 | Low | 48.1 | Very low | 134 Ų | 134 | 141.4 Ų | 141.4 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | trans | -87.5 | 102.3 | 166.9 | -179.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 80 | L | 52.6 | Low | 47.8 | Very low | 137 Ų | 137 | 143.8 Ų | 143.8 | 72% | 0.717 | 78% | 0.779 | S | S | * | * | trans | -92.5 | 135.6 | 169.8 | -77.9 | 159.2 | 0 | 0 | 0 | 109.9 | V78 V82 | V78-L80 HydrophobicContact CG1-CD1 4.02Å; V78-L80 HydrophobicContact CG1-CG 3.88Å; L80-V82 PolarHBondContact O-N 3.16Å | ||
| 81 | P | 45.4 | Very low | 48.2 | Very low | 111 Ų | 111 | 135 Ų | 135 | 72% | 0.721 | 77% | 0.765 | S | S | * | * | trans | -67 | 128.9 | 179.3 | 26.3 | -31.9 | 0 | 0 | 0 | 110.8 | V83 | P81-V83 PolarHBondContact O-N 3.44Š| ||
| 82 | V | 50.9 | Low | 47.8 | Very low | 141 Ų | 141 | 138.9 Ų | 138.9 | 86% | 0.855 | 77% | 0.769 | S | S | * | * | trans | -72.3 | 108.6 | 178.4 | 178.9 | 0 | 0 | 0 | 0 | 109 | L80 | L80-V82 PolarHBondContact O-N 3.16Š| ||
| 83 | V | 51.3 | Low | 47.8 | Very low | 138 Ų | 138 | 144.9 Ų | 144.9 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | trans | -87.4 | 117.1 | 170.5 | -167.1 | 0 | 0 | 0 | 0 | 108.3 | P81 | P81-V83 PolarHBondContact O-N 3.44Š| ||
| 84 | Q | 43.6 | Very low | 47.7 | Very low | 188 Ų | 188 | 146.1 Ų | 146.1 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | trans | -87.1 | 119.3 | -174.4 | -169.2 | 176.2 | 3.5 | 0 | 0 | 110.4 | ||||
| 85 | G | 42 | Very low | 47.9 | Very low | 69 Ų | 69 | 146.8 Ų | 146.8 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | trans | 105.7 | 121.2 | 156.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 86 | M | 45.8 | Very low | 47.6 | Very low | 197 Ų | 197 | 150.4 Ų | 150.4 | 97% | 0.97 | 80% | 0.798 | S | S | * | * | -173.7 | 132.7 | 124.4 | -85.6 | -135.3 | 179.3 | 0 | 0 | 108.2 | |||||
| 87 | R | 49.3 | Very low | 47.9 | Very low | 234 Ų | 234 | 153.7 Ų | 153.7 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | trans | -73.4 | 145.9 | -174.1 | -55.4 | 177.8 | -169.9 | -177.1 | 2.3 | 111.1 | ||||
| 88 | P | 51.8 | Low | 47.8 | Very low | 75 Ų | 75 | 152.7 Ų | 152.7 | 49% | 0.487 | 81% | 0.805 | S | S | . | * | trans | -83.5 | 161.7 | 167.9 | 33 | -28.7 | 0 | 0 | 0 | 112.3 | E59 | E59-P88 HydrophobicContact CG-CB 4.01Å; E59-P88 VanDerWaalsContact OE1-O 3.1Å | ||
| 89 | Y | 47.1 | Very low | 47.7 | Very low | 226 Ų | 226 | 156.2 Ų | 156.2 | 89% | 0.886 | 82% | 0.818 | S | S | * | * | trans | -106.1 | 118.2 | -169.7 | -130.8 | -91.6 | 0 | 0 | 0 | 113.2 | E59 G91 | E59-Y89 WeakPolarHBondContact CG-O 3.21Å; E59-Y89 WeakPolarHBondContact OE1-CA 3.26Å; E59-Y89 PolarHBondContact OE1-N 3.02Å; Y89-G91 PolarHBondContact O-N 2.91Å | ||
| 90 | R | 41.4 | Very low | 47.5 | Very low | 172 Ų | 172 | 157.8 Ų | 157.8 | 65% | 0.649 | 82% | 0.818 | S | S | * | * | trans | -67.4 | 117.6 | -177 | -104.5 | -177.4 | 174 | -179 | -3.3 | 115.7 | E59 D61 | E59-R90 VanDerWaalsContact CD-CA 3.42Å; E59-R90 VanDerWaalsContact CD-N 3.29Å; E59-R90 PolarHBondContact OE1-N 2.98Å; E59-R90 WeakPolarHBondContact OE2-CA 3.31Å; E59-R90 WeakPolarHBondContact OE2-CB 3.44Å; E59-R90 WeakPolarHBondContact OE2-CG 3.4Å; E59-R90 PolarHBondContact OE2-N 3.13Å; D61-R90 IonicContact OD1-CZ 2.93Å; D61-R90 IonicContact OD1-NE 2.77Å; D61-R90 PolarHBondContact OD1-NE 3.17Å; D61-R90 IonicContact OD1-NH1 3.89Å; D61-R90 IonicContact OD1-NH2 2.89Å; D61-R90 PolarHBondContact OD1-NH2 3.19Å; D61-R90 IonicContact OD2-CZ 3.5Å; D61-R90 IonicContact OD2-NE 3.69Å; D61-R90 IonicContact OD2-NH2 2.65Å; D61-R90 PolarHBondContact OD2-NH2 3.37Å | ||
| 91 | G | 57.1 | Low | 47.1 | Very low | 60 Ų | 60 | 159.4 Ų | 159.4 | 62% | 0.619 | 83% | 0.826 | S | S | * | * | trans | -142.4 | 105.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y89 | Y89-G91 PolarHBondContact O-N 2.91Š| ||
| 92 | R | 39.3 | Very low | 47.3 | Very low | 241 Ų | 241 | 163.4 Ų | 163.4 | 91% | 0.909 | 84% | 0.835 | S | S | * | * | trans | -81.3 | 134.2 | 168.3 | -79.1 | -179.5 | -174.2 | 165.1 | 1 | 110.5 | ||||
| 93 | V | 47.4 | Very low | 46.9 | Very low | 220 Ų | 220 | 165.5 Ų | 165.5 | 100% | 1.333 | 83% | 0.833 | S | S | * | * | trans | -142.7 | 0 | 144.1 | -166.6 | 0 | 0 | 0 | 0 | 108 |
Retrieved 93 of 93 residues in 14.9 ms
(Link to these results)