| 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 | 57.1 | Low | 70.5 | Confident | 205 Ų | 205 | 116.5 Ų | 116.5 | 100% | 1.01 | 60% | 0.602 | S | S | * | * | 0 | -36.4 | 0 | -69.8 | 173.3 | 85.3 | 0 | 0 | 112.8 | N3 I4 | M1-N3 VanDerWaalsContact C-N 3.34Å; M1-N3 PolarHBondContact O-N 2.7Å; M1-I4 PolarHBondContact O-N 2.96Å | |||
| 2 | N | 64.3 | Low | 70.3 | Confident | 133 Ų | 133 | 112.9 Ų | 112.9 | 71% | 0.711 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -59.5 | -32.8 | -178.9 | -63.3 | -3.4 | 0 | 0 | 0 | 115.6 | I4 L5 F6 | N2-I4 VanDerWaalsContact C-N 3.32Å; N2-I4 PolarHBondContact O-N 3.27Å; N2-L5 PolarHBondContact O-N 3.07Å; N2-F6 PolarHBondContact O-N 3.43Å; N2-F6 VanDerWaalsContact O-N 3.09Å |
| 3 | N | 68.4 | Low | 69.8 | Low | 129 Ų | 129 | 112.5 Ų | 112.5 | 69% | 0.69 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -66.5 | -30.8 | -179.2 | -75.8 | -11.1 | 0 | 0 | 0 | 113.8 | M1 L7 | M1-N3 VanDerWaalsContact C-N 3.34Å; M1-N3 PolarHBondContact O-N 2.7Å; N3-L7 WeakPolarHBondContact O-CG 3.41Å; N3-L7 PolarHBondContact O-N 3.38Å; N3-L7 VanDerWaalsContact O-N 3.12Å |
| 4 | I | 75.4 | Confident | 69.1 | Low | 120 Ų | 120 | 114.4 Ų | 114.4 | 62% | 0.615 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -71.7 | -44 | 179.3 | -62.9 | 170.4 | 0 | 0 | 0 | 109.5 | M1 N2 F6 L7 L8 | M1-I4 PolarHBondContact O-N 2.96Å; N2-I4 VanDerWaalsContact C-N 3.32Å; N2-I4 PolarHBondContact O-N 3.27Å; I4-F6 VanDerWaalsContact C-N 3.31Å; I4-F6 PolarHBondContact O-N 3.38Å; I4-L7 PolarHBondContact O-N 3.44Å; I4-L8 WeakPolarHBondContact O-CB 3.45Å; I4-L8 PolarHBondContact O-N 3.09Å |
| 5 | L | 73.5 | Confident | 68.3 | Low | 120 Ų | 120 | 113.9 Ų | 113.9 | 63% | 0.628 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -59 | -41.3 | 174.9 | -104.4 | 149.2 | 0 | 0 | 0 | 112.2 | N2 L8 M9 | N2-L5 PolarHBondContact O-N 3.07Å; L5-L8 PolarHBondContact O-N 3.39Å; L5-M9 WeakPolarHBondContact O-CG 3.34Å; L5-M9 PolarHBondContact O-N 3.26Å |
| 6 | F | 73.2 | Confident | 67.3 | Low | 132 Ų | 132 | 118.9 Ų | 118.9 | 58% | 0.579 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -62.7 | -46.7 | 176.3 | -178.7 | -102.7 | 0 | 0 | 0 | 112.2 | N2 I4 L8 M9 L10 | N2-F6 PolarHBondContact O-N 3.43Å; N2-F6 VanDerWaalsContact O-N 3.09Å; I4-F6 VanDerWaalsContact C-N 3.31Å; I4-F6 PolarHBondContact O-N 3.38Å; F6-L8 VanDerWaalsContact C-N 3.3Å; F6-L8 PolarHBondContact O-N 3.28Å; F6-M9 PolarHBondContact O-N 2.92Å; F6-L10 HydrophobicContact CE1-CD1 4.09Å; F6-L10 HydrophobicContact CZ-CD1 3.97Å; F6-L10 WeakPolarHBondContact O-CB 3.22Å; F6-L10 PolarHBondContact O-N 2.99Å |
| 7 | L | 73.5 | Confident | 66.3 | Low | 111 Ų | 111 | 113.3 Ų | 113.3 | 58% | 0.581 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64.5 | -36 | 177.8 | -71.2 | 168.8 | 0 | 0 | 0 | 112.1 | N3 I4 L10 S11 | N3-L7 WeakPolarHBondContact O-CG 3.41Å; N3-L7 PolarHBondContact O-N 3.38Å; N3-L7 VanDerWaalsContact O-N 3.12Å; I4-L7 PolarHBondContact O-N 3.44Å; L7-L10 PolarHBondContact O-N 2.94Å; L7-S11 PolarHBondContact O-N 3.41Å |
| 8 | L | 73.9 | Confident | 65.3 | Low | 98 Ų | 98 | 115.2 Ų | 115.2 | 51% | 0.513 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -68.5 | -43.8 | 177.7 | -139.7 | 155.4 | 0 | 0 | 0 | 111.1 | I4 L5 F6 L10 S11 I12 | I4-L8 WeakPolarHBondContact O-CB 3.45Å; I4-L8 PolarHBondContact O-N 3.09Å; L5-L8 PolarHBondContact O-N 3.39Å; F6-L8 VanDerWaalsContact C-N 3.3Å; F6-L8 PolarHBondContact O-N 3.28Å; L8-L10 VanDerWaalsContact C-N 3.33Å; L8-L10 PolarHBondContact O-N 3.37Å; L8-S11 PolarHBondContact O-N 3.3Å; L8-S11 PolarHBondContact O-OG 3.1Å; L8-I12 HydrophobicContact CD2-CD1 3.78Å; L8-I12 HydrophobicContact CD2-CG1 4.35Å; L8-I12 WeakPolarHBondContact O-CG1 3.44Å; L8-I12 PolarHBondContact O-N 3.12Å |
| 9 | M | 74.3 | Confident | 64.7 | Low | 107 Ų | 107 | 115.1 Ų | 115.1 | 53% | 0.527 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -60.3 | -42.9 | 172.2 | -72.4 | -134 | 93.2 | 0 | 0 | 112 | L5 F6 S11 I12 H13 | L5-M9 WeakPolarHBondContact O-CG 3.34Å; L5-M9 PolarHBondContact O-N 3.26Å; F6-M9 PolarHBondContact O-N 2.92Å; M9-S11 VanDerWaalsContact C-N 3.34Å; M9-S11 PolarHBondContact O-N 3.25Å; M9-I12 PolarHBondContact O-N 3.42Å; M9-H13 PolarHBondContact O-N 3.17Å; M9-H13 VanDerWaalsContact O-N 3.08Å; M9-H13 PolarHBondContact O-ND1 3.39Å; M9-H13 VanDerWaalsContact O-ND1 3.11Å |
| 10 | L | 71.6 | Confident | 63.7 | Low | 71 Ų | 71 | 115 Ų | 115 | 37% | 0.372 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -60.1 | -45.2 | 177.3 | -150.8 | 106.1 | 0 | 0 | 0 | 110.8 | F6 L7 L8 I12 H13 F14 | F6-L10 HydrophobicContact CE1-CD1 4.09Å; F6-L10 HydrophobicContact CZ-CD1 3.97Å; F6-L10 WeakPolarHBondContact O-CB 3.22Å; F6-L10 PolarHBondContact O-N 2.99Å; L7-L10 PolarHBondContact O-N 2.94Å; L8-L10 VanDerWaalsContact C-N 3.33Å; L8-L10 PolarHBondContact O-N 3.37Å; L10-I12 VanDerWaalsContact C-N 3.34Å; L10-I12 PolarHBondContact O-N 3.19Å; L10-H13 PolarHBondContact O-N 2.93Å; L10-H13 VanDerWaalsContact O-N 3.16Å; L10-F14 HydrophobicContact CD2-CD2 3.91Å; L10-F14 HydrophobicContact CD2-CE2 3.62Å; L10-F14 HydrophobicContact CG-CD2 4Å; L10-F14 HydrophobicContact CG-CE2 3.81Å; L10-F14 VanDerWaalsContact O-CD2 3.28Å; L10-F14 WeakPolarHBondContact O-CD2 3.32Å; L10-F14 PolarHBondContact O-N 2.99Å |
| 11 | S | 70.4 | Confident | 63 | Low | 56 Ų | 56 | 115.3 Ų | 115.3 | 39% | 0.392 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62.3 | -38.6 | 178.3 | 70.4 | 0 | 0 | 0 | 0 | 112.9 | L7 L8 M9 H13 F14 V15 | L7-S11 PolarHBondContact O-N 3.41Å; L8-S11 PolarHBondContact O-N 3.3Å; L8-S11 PolarHBondContact O-OG 3.1Å; M9-S11 VanDerWaalsContact C-N 3.34Å; M9-S11 PolarHBondContact O-N 3.25Å; S11-H13 VanDerWaalsContact C-N 3.3Å; S11-H13 PolarHBondContact O-N 3.4Å; S11-F14 PolarHBondContact O-N 3.44Å; S11-V15 WeakPolarHBondContact O-CB 3.28Å; S11-V15 VanDerWaalsContact O-CG2 3.22Å; S11-V15 WeakPolarHBondContact O-CG2 3.46Å; S11-V15 PolarHBondContact O-N 3.08Å |
| 12 | I | 68.4 | Low | 62.6 | Low | 73 Ų | 73 | 111.9 Ų | 111.9 | 37% | 0.374 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.3 | -35.9 | 176.8 | -66.8 | 163.9 | 0 | 0 | 0 | 110.8 | L8 M9 L10 R16 | L8-I12 HydrophobicContact CD2-CD1 3.78Å; L8-I12 HydrophobicContact CD2-CG1 4.35Å; L8-I12 WeakPolarHBondContact O-CG1 3.44Å; L8-I12 PolarHBondContact O-N 3.12Å; M9-I12 PolarHBondContact O-N 3.42Å; L10-I12 VanDerWaalsContact C-N 3.34Å; L10-I12 PolarHBondContact O-N 3.19Å; I12-R16 WeakPolarHBondContact O-CB 3.4Å; I12-R16 PolarHBondContact O-N 3.41Å |
| 13 | H | 64 | Low | 62 | Low | 108 Ų | 108 | 107.9 Ų | 107.9 | 50% | 0.5 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -71.9 | -39.4 | 178.7 | -69.5 | 21 | 0 | 0 | 0 | 111.6 | M9 L10 S11 A17 | M9-H13 PolarHBondContact O-N 3.17Å; M9-H13 VanDerWaalsContact O-N 3.08Å; M9-H13 PolarHBondContact O-ND1 3.39Å; M9-H13 VanDerWaalsContact O-ND1 3.11Å; L10-H13 PolarHBondContact O-N 2.93Å; L10-H13 VanDerWaalsContact O-N 3.16Å; S11-H13 VanDerWaalsContact C-N 3.3Å; S11-H13 PolarHBondContact O-N 3.4Å; H13-A17 WeakPolarHBondContact O-CB 3.46Å; H13-A17 PolarHBondContact O-N 3.45Å; H13-A17 VanDerWaalsContact O-N 3.1Å |
| 14 | F | 58.9 | Low | 61.2 | Low | 139 Ų | 139 | 111 Ų | 111 | 61% | 0.61 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -71.8 | -38.3 | 176.4 | -83 | -75 | 0 | 0 | 0 | 113.2 | L10 S11 R16 A17 D18 | L10-F14 HydrophobicContact CD2-CD2 3.91Å; L10-F14 HydrophobicContact CD2-CE2 3.62Å; L10-F14 HydrophobicContact CG-CD2 4Å; L10-F14 HydrophobicContact CG-CE2 3.81Å; L10-F14 VanDerWaalsContact O-CD2 3.28Å; L10-F14 WeakPolarHBondContact O-CD2 3.32Å; L10-F14 PolarHBondContact O-N 2.99Å; S11-F14 PolarHBondContact O-N 3.44Å; F14-R16 VanDerWaalsContact C-N 3.27Å; F14-R16 PolarHBondContact O-N 3.27Å; F14-A17 PolarHBondContact O-N 2.96Å; F14-D18 PolarHBondContact O-N 3.16Å; F14-D18 VanDerWaalsContact O-N 3.17Å |
| 15 | V | 57.9 | Low | 60.1 | Low | 106 Ų | 106 | 110.7 Ų | 110.7 | 64% | 0.642 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68.5 | -27.8 | 176.4 | 172.8 | 0 | 0 | 0 | 0 | 111.9 | S11 | S11-V15 WeakPolarHBondContact O-CB 3.28Å; S11-V15 VanDerWaalsContact O-CG2 3.22Å; S11-V15 WeakPolarHBondContact O-CG2 3.46Å; S11-V15 PolarHBondContact O-N 3.08Å |
| 16 | R | 51.8 | Low | 59.1 | Low | 195 Ų | 195 | 107.3 Ų | 107.3 | 74% | 0.736 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -77.8 | -30.8 | 172 | -98.4 | -179 | 160.3 | 140.8 | -3.4 | 113.6 | I12 F14 | I12-R16 WeakPolarHBondContact O-CB 3.4Å; I12-R16 PolarHBondContact O-N 3.41Å; F14-R16 VanDerWaalsContact C-N 3.27Å; F14-R16 PolarHBondContact O-N 3.27Å |
| 17 | A | 50.9 | Low | 58.3 | Low | 23 Ų | 23 | 104.7 Ų | 104.7 | 19% | 0.19 | 55% | 0.552 | C | S | . | * | H | α-helix | trans | -68.7 | -42.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | H13 F14 V19 D20 D23 | H13-A17 WeakPolarHBondContact O-CB 3.46Å; H13-A17 PolarHBondContact O-N 3.45Å; H13-A17 VanDerWaalsContact O-N 3.1Å; F14-A17 PolarHBondContact O-N 2.96Å; A17-V19 PolarHBondContact O-N 3.11Å; A17-D20 PolarHBondContact O-N 3.34Å; A17-D23 WeakPolarHBondContact CB-OD1 3.33Å; A17-D23 WeakPolarHBondContact CB-OD2 3.48Å; A17-D23 VanDerWaalsContact O-CG 3.28Å |
| 18 | D | 48.8 | Very low | 57.6 | Low | 148 Ų | 148 | 102.6 Ų | 102.6 | 79% | 0.791 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -5.9 | -174.3 | -138.1 | 16.2 | 0 | 0 | 0 | 115.3 | F14 | F14-D18 PolarHBondContact O-N 3.16Å; F14-D18 VanDerWaalsContact O-N 3.17Å |
| 19 | V | 52.4 | Low | 56.7 | Low | 113 Ų | 113 | 104.6 Ų | 104.6 | 69% | 0.685 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -23.6 | 179.4 | 177.5 | 0 | 0 | 0 | 0 | 112.4 | A17 | A17-V19 PolarHBondContact O-N 3.11Š|
| 20 | D | 46.2 | Very low | 55.8 | Low | 113 Ų | 113 | 104.9 Ų | 104.9 | 60% | 0.604 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -111.5 | 95.2 | 179.7 | -75.6 | -32.8 | 0 | 0 | 0 | 108.7 | A17 D22 D23 | A17-D20 PolarHBondContact O-N 3.34Å; D20-D22 PolarHBondContact O-N 2.69Å; D20-D23 PolarHBondContact O-N 3.21Å |
| 21 | S | 47.2 | Very low | 55.1 | Low | 121 Ų | 121 | 107.3 Ų | 107.3 | 85% | 0.846 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 27.5 | 175.5 | 45.4 | 0 | 0 | 0 | 0 | 116.3 | ||
| 22 | D | 49.5 | Very low | 54.4 | Low | 133 Ų | 133 | 112 Ų | 112 | 71% | 0.711 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.8 | 17 | 172.6 | -71.4 | -37.4 | 0 | 0 | 0 | 112.3 | D20 F24 E25 | D20-D22 PolarHBondContact O-N 2.69Å; D22-F24 PolarHBondContact O-N 2.93Å; D22-E25 PolarHBondContact O-N 2.89Å |
| 23 | D | 51.6 | Low | 53.7 | Low | 50 Ų | 50 | 117.7 Ų | 117.7 | 27% | 0.267 | 58% | 0.576 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.6 | -7.9 | -169.3 | -111.9 | -6.3 | 0 | 0 | 0 | 117 | A17 D20 E25 A26 V27 | A17-D23 WeakPolarHBondContact CB-OD1 3.33Å; A17-D23 WeakPolarHBondContact CB-OD2 3.48Å; A17-D23 VanDerWaalsContact O-CG 3.28Å; D20-D23 PolarHBondContact O-N 3.21Å; D23-E25 PolarHBondContact O-N 2.89Å; D23-A26 PolarHBondContact O-N 2.93Å; D23-V27 VanDerWaalsContact O-CG2 3.28Å; D23-V27 WeakPolarHBondContact O-CG2 3.41Å; D23-V27 PolarHBondContact O-N 3.28Å |
| 24 | F | 51.4 | Low | 53.2 | Low | 195 Ų | 195 | 120.2 Ų | 120.2 | 86% | 0.855 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.1 | -34.3 | 171.6 | -82.8 | -82.3 | 0 | 0 | 0 | 111.9 | D22 D28 | D22-F24 PolarHBondContact O-N 2.93Å; F24-D28 WeakPolarHBondContact O-CB 3.48Å; F24-D28 PolarHBondContact O-N 3.02Å |
| 25 | E | 53.1 | Low | 52.7 | Low | 112 Ų | 112 | 122.5 Ų | 122.5 | 52% | 0.523 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -75.5 | -35.9 | 178.3 | -161 | -174.8 | 156.3 | 0 | 0 | 111.8 | D22 D23 D28 R29 | D22-E25 PolarHBondContact O-N 2.89Å; D23-E25 PolarHBondContact O-N 2.89Å; E25-D28 PolarHBondContact O-N 3.38Å; E25-R29 WeakPolarHBondContact O-CB 3.28Å; E25-R29 WeakPolarHBondContact O-CG 3.41Å; E25-R29 PolarHBondContact O-N 3.4Å; E25-R29 IonicContact OE1-CZ 3.45Å; E25-R29 IonicContact OE1-NE 3.37Å; E25-R29 PolarHBondContact OE1-NE 3.19Å; E25-R29 IonicContact OE1-NH2 2.7Å; E25-R29 PolarHBondContact OE1-NH2 3.32Å |
| 26 | A | 53.1 | Low | 52.1 | Low | 50 Ų | 50 | 126 Ų | 126 | 41% | 0.413 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.2 | -41.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | D23 R29 F30 | D23-A26 PolarHBondContact O-N 2.93Å; A26-R29 PolarHBondContact O-N 2.85Å; A26-F30 WeakPolarHBondContact O-CB 3.41Å; A26-F30 PolarHBondContact O-N 2.94Å |
| 27 | V | 56.3 | Low | 51.9 | Low | 77 Ų | 77 | 121 Ų | 121 | 47% | 0.467 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -67.1 | -37.7 | 174 | 175 | 0 | 0 | 0 | 0 | 111.7 | D23 F30 K31 | D23-V27 VanDerWaalsContact O-CG2 3.28Å; D23-V27 WeakPolarHBondContact O-CG2 3.41Å; D23-V27 PolarHBondContact O-N 3.28Å; V27-F30 PolarHBondContact O-N 2.91Å; V27-K31 WeakPolarHBondContact O-CG 3.24Å; V27-K31 PolarHBondContact O-N 3.09Å |
| 28 | D | 57.2 | Low | 51.7 | Low | 67 Ų | 67 | 127.9 Ų | 127.9 | 36% | 0.358 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -68.7 | -40.1 | 176 | -164.5 | 58 | 0 | 0 | 0 | 112.2 | F24 E25 K31 R32 | F24-D28 WeakPolarHBondContact O-CB 3.48Å; F24-D28 PolarHBondContact O-N 3.02Å; E25-D28 PolarHBondContact O-N 3.38Å; D28-K31 PolarHBondContact O-N 3.12Å; D28-R32 WeakPolarHBondContact O-CG 3.39Å; D28-R32 PolarHBondContact O-N 2.91Å; D28-R32 IonicContact OD2-CZ 3.32Å; D28-R32 IonicContact OD2-NE 3.04Å; D28-R32 PolarHBondContact OD2-NE 3.42Å; D28-R32 IonicContact OD2-NH2 2.81Å; D28-R32 PolarHBondContact OD2-NH2 3.48Å |
| 29 | R | 55.6 | Low | 51.3 | Low | 140 Ų | 140 | 131.4 Ų | 131.4 | 53% | 0.528 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -62 | -45 | 171.2 | -75.5 | -177.9 | -159 | -177.3 | 7.5 | 111 | E25 A26 K31 R32 Y33 | E25-R29 WeakPolarHBondContact O-CB 3.28Å; E25-R29 WeakPolarHBondContact O-CG 3.41Å; E25-R29 PolarHBondContact O-N 3.4Å; E25-R29 IonicContact OE1-CZ 3.45Å; E25-R29 IonicContact OE1-NE 3.37Å; E25-R29 PolarHBondContact OE1-NE 3.19Å; E25-R29 IonicContact OE1-NH2 2.7Å; E25-R29 PolarHBondContact OE1-NH2 3.32Å; A26-R29 PolarHBondContact O-N 2.85Å; R29-K31 VanDerWaalsContact C-N 3.3Å; R29-K31 PolarHBondContact O-N 2.76Å; R29-R32 PolarHBondContact O-N 3.33Å; R29-R32 VanDerWaalsContact O-N 3.09Å; R29-Y33 HydrophobicContact CB-CD2 4.38Å; R29-Y33 HydrophobicContact CB-CE2 4.44Å; R29-Y33 WeakPolarHBondContact O-CD2 3.13Å; R29-Y33 PolarHBondContact O-N 3.46Å |
| 30 | F | 55.7 | Low | 50.6 | Low | 113 Ų | 113 | 136.3 Ų | 136.3 | 50% | 0.496 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -61.4 | -41.2 | 177.1 | -149.5 | -89.2 | 0 | 0 | 0 | 110.9 | A26 V27 R32 Y33 Y34 | A26-F30 WeakPolarHBondContact O-CB 3.41Å; A26-F30 PolarHBondContact O-N 2.94Å; V27-F30 PolarHBondContact O-N 2.91Å; F30-R32 PolarHBondContact O-N 2.7Å; F30-Y33 PolarHBondContact O-N 3.37Å; F30-Y34 AromaticContact CD1-CD2 3.35Å; F30-Y34 HydrophobicContact CD1-CD2 3.35Å; F30-Y34 AromaticContact CD1-CE2 3.71Å; F30-Y34 HydrophobicContact CD1-CE2 3.71Å; F30-Y34 HydrophobicContact CD1-CG 4.08Å; F30-Y34 HydrophobicContact CD2-CD2 4.08Å; F30-Y34 AromaticContact CD2-CE2 3.7Å; F30-Y34 HydrophobicContact CD2-CE2 3.7Å; F30-Y34 HydrophobicContact CE1-CD1 4.37Å; F30-Y34 AromaticContact CE1-CD2 3.31Å; F30-Y34 HydrophobicContact CE1-CD2 3.31Å; F30-Y34 HydrophobicContact CE1-CE1 4.38Å; F30-Y34 AromaticContact CE1-CE2 3.34Å; F30-Y34 HydrophobicContact CE1-CE2 3.34Å; F30-Y34 AromaticContact CE1-CG 3.86Å; F30-Y34 HydrophobicContact CE1-CG 3.86Å; F30-Y34 AromaticContact CE1-CZ 3.88Å; F30-Y34 HydrophobicContact CE2-CD2 4.05Å; F30-Y34 AromaticContact CE2-CE2 3.33Å; F30-Y34 HydrophobicContact CE2-CE2 3.33Å; F30-Y34 AromaticContact CE2-CZ 3.94Å; F30-Y34 AromaticContact CG-CD2 3.76Å; F30-Y34 HydrophobicContact CG-CD2 3.76Å; F30-Y34 AromaticContact CG-CE2 3.88Å; F30-Y34 HydrophobicContact CG-CE2 3.88Å; F30-Y34 AromaticContact CZ-CD2 3.69Å; F30-Y34 HydrophobicContact CZ-CD2 3.69Å; F30-Y34 HydrophobicContact CZ-CE1 4.29Å; F30-Y34 AromaticContact CZ-CE2 3.14Å; F30-Y34 HydrophobicContact CZ-CE2 3.14Å; F30-Y34 HydrophobicContact CZ-CG 4.45Å; F30-Y34 AromaticContact CZ-CZ 3.48Å; F30-Y34 VanDerWaalsContact CZ-CZ 3.48Å; F30-Y34 WeakPolarHBondContact O-CB 3.43Å; F30-Y34 VanDerWaalsContact O-CD2 3.24Å; F30-Y34 WeakPolarHBondContact O-CD2 3.44Å; F30-Y34 PolarHBondContact O-N 2.84Å |
| 31 | K | 55.9 | Low | 50.2 | Low | 121 Ų | 121 | 133.5 Ų | 133.5 | 53% | 0.526 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -62 | -42 | 172 | -76.4 | 178.6 | -176.9 | 174.2 | 0 | 112.1 | V27 D28 R29 Y33 Y35 | V27-K31 WeakPolarHBondContact O-CG 3.24Å; V27-K31 PolarHBondContact O-N 3.09Å; D28-K31 PolarHBondContact O-N 3.12Å; R29-K31 VanDerWaalsContact C-N 3.3Å; R29-K31 PolarHBondContact O-N 2.76Å; K31-Y33 PolarHBondContact O-N 2.99Å; K31-Y35 HydrophobicContact CB-CD2 4.49Å; K31-Y35 HydrophobicContact CG-CD2 4.31Å; K31-Y35 VanDerWaalsContact O-CA 3.31Å; K31-Y35 WeakPolarHBondContact O-CA 3.16Å; K31-Y35 WeakPolarHBondContact O-CB 3.31Å; K31-Y35 PolarHBondContact O-N 2.9Å |
| 32 | R | 56 | Low | 49.7 | Very low | 154 Ų | 154 | 139.3 Ų | 139.3 | 58% | 0.581 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64.4 | -40 | 175.5 | -72 | -179 | -157.2 | -162.6 | 5.6 | 112.7 | D28 R29 F30 Y36 | D28-R32 WeakPolarHBondContact O-CG 3.39Å; D28-R32 PolarHBondContact O-N 2.91Å; D28-R32 IonicContact OD2-CZ 3.32Å; D28-R32 IonicContact OD2-NE 3.04Å; D28-R32 PolarHBondContact OD2-NE 3.42Å; D28-R32 IonicContact OD2-NH2 2.81Å; D28-R32 PolarHBondContact OD2-NH2 3.48Å; R29-R32 PolarHBondContact O-N 3.33Å; R29-R32 VanDerWaalsContact O-N 3.09Å; F30-R32 PolarHBondContact O-N 2.7Å; R32-Y36 WeakPolarHBondContact O-CD2 3.45Å |
| 33 | Y | 54.4 | Low | 49.3 | Very low | 194 Ų | 194 | 142.1 Ų | 142.1 | 76% | 0.761 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -75.4 | -30.1 | -179.1 | -77.2 | -71.1 | 0 | 0 | 0 | 113.4 | R29 F30 K31 | R29-Y33 HydrophobicContact CB-CD2 4.38Å; R29-Y33 HydrophobicContact CB-CE2 4.44Å; R29-Y33 WeakPolarHBondContact O-CD2 3.13Å; R29-Y33 PolarHBondContact O-N 3.46Å; F30-Y33 PolarHBondContact O-N 3.37Å; K31-Y33 PolarHBondContact O-N 2.99Å |
| 34 | Y | 53.7 | Low | 48.9 | Very low | 160 Ų | 160 | 145.4 Ų | 145.4 | 63% | 0.627 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -105.5 | -21.3 | -175.1 | -70.6 | -90.6 | 0 | 0 | 0 | 114.7 | F30 | F30-Y34 AromaticContact CD1-CD2 3.35Å; F30-Y34 HydrophobicContact CD1-CD2 3.35Å; F30-Y34 AromaticContact CD1-CE2 3.71Å; F30-Y34 HydrophobicContact CD1-CE2 3.71Å; F30-Y34 HydrophobicContact CD1-CG 4.08Å; F30-Y34 HydrophobicContact CD2-CD2 4.08Å; F30-Y34 AromaticContact CD2-CE2 3.7Å; F30-Y34 HydrophobicContact CD2-CE2 3.7Å; F30-Y34 HydrophobicContact CE1-CD1 4.37Å; F30-Y34 AromaticContact CE1-CD2 3.31Å; F30-Y34 HydrophobicContact CE1-CD2 3.31Å; F30-Y34 HydrophobicContact CE1-CE1 4.38Å; F30-Y34 AromaticContact CE1-CE2 3.34Å; F30-Y34 HydrophobicContact CE1-CE2 3.34Å; F30-Y34 AromaticContact CE1-CG 3.86Å; F30-Y34 HydrophobicContact CE1-CG 3.86Å; F30-Y34 AromaticContact CE1-CZ 3.88Å; F30-Y34 HydrophobicContact CE2-CD2 4.05Å; F30-Y34 AromaticContact CE2-CE2 3.33Å; F30-Y34 HydrophobicContact CE2-CE2 3.33Å; F30-Y34 AromaticContact CE2-CZ 3.94Å; F30-Y34 AromaticContact CG-CD2 3.76Å; F30-Y34 HydrophobicContact CG-CD2 3.76Å; F30-Y34 AromaticContact CG-CE2 3.88Å; F30-Y34 HydrophobicContact CG-CE2 3.88Å; F30-Y34 AromaticContact CZ-CD2 3.69Å; F30-Y34 HydrophobicContact CZ-CD2 3.69Å; F30-Y34 HydrophobicContact CZ-CE1 4.29Å; F30-Y34 AromaticContact CZ-CE2 3.14Å; F30-Y34 HydrophobicContact CZ-CE2 3.14Å; F30-Y34 HydrophobicContact CZ-CG 4.45Å; F30-Y34 AromaticContact CZ-CZ 3.48Å; F30-Y34 VanDerWaalsContact CZ-CZ 3.48Å; F30-Y34 WeakPolarHBondContact O-CB 3.43Å; F30-Y34 VanDerWaalsContact O-CD2 3.24Å; F30-Y34 WeakPolarHBondContact O-CD2 3.44Å; F30-Y34 PolarHBondContact O-N 2.84Å |
| 35 | Y | 48.6 | Very low | 48.7 | Very low | 188 Ų | 188 | 143.9 Ų | 143.9 | 74% | 0.737 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -109.1 | 10.2 | 178.7 | -76.6 | -91.8 | 0 | 0 | 0 | 114.3 | K31 P37 | K31-Y35 HydrophobicContact CB-CD2 4.49Å; K31-Y35 HydrophobicContact CG-CD2 4.31Å; K31-Y35 VanDerWaalsContact O-CA 3.31Å; K31-Y35 WeakPolarHBondContact O-CA 3.16Å; K31-Y35 WeakPolarHBondContact O-CB 3.31Å; K31-Y35 PolarHBondContact O-N 2.9Å; Y35-P37 WeakPolarHBondContact O-CD 3.09Å |
| 36 | Y | 45.5 | Very low | 48.3 | Very low | 180 Ų | 180 | 143.8 Ų | 143.8 | 71% | 0.706 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -64.4 | 111.1 | 159 | -105.2 | -104.8 | 0 | 0 | 0 | 107.2 | R32 L38 | R32-Y36 WeakPolarHBondContact O-CD2 3.45Å; Y36-L38 PolarHBondContact O-N 3.3Å; Y36-L38 VanDerWaalsContact O-N 3.13Å |
| 37 | P | 47.3 | Very low | 47.7 | Very low | 90 Ų | 90 | 147.2 Ų | 147.2 | 58% | 0.584 | 68% | 0.682 | S | S | * | * | trans | -59.9 | 129.1 | 170.3 | 28.1 | -29.2 | 0 | 0 | 0 | 104.5 | Y35 R39 | Y35-P37 WeakPolarHBondContact O-CD 3.09Å; P37-R39 HydrophobicContact CG-CG 4.35Å; P37-R39 PolarHBondContact O-N 3.41Å | ||
| 38 | L | 46 | Very low | 46.8 | Very low | 167 Ų | 167 | 148.6 Ų | 148.6 | 87% | 0.874 | 70% | 0.695 | S | S | * | * | trans | -49.5 | 81.5 | 160.3 | -81.9 | 145.1 | 0 | 0 | 0 | 108 | Y36 Y40 | Y36-L38 PolarHBondContact O-N 3.3Å; Y36-L38 VanDerWaalsContact O-N 3.13Å; L38-Y40 PolarHBondContact O-N 2.77Å; L38-Y40 VanDerWaalsContact O-N 3.09Å | ||
| 39 | R | 41.5 | Very low | 45.9 | Very low | 222 Ų | 222 | 149 Ų | 149 | 84% | 0.838 | 72% | 0.715 | S | S | * | * | trans | -80.1 | 44.8 | 167.2 | -95.4 | -170.7 | 169.5 | -136.1 | 1.1 | 107.6 | P37 | P37-R39 HydrophobicContact CG-CG 4.35Å; P37-R39 PolarHBondContact O-N 3.41Å | ||
| 40 | Y | 36.2 | Very low | 45.6 | Very low | 215 Ų | 215 | 150.5 Ų | 150.5 | 84% | 0.843 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -156.1 | 120.8 | 171.6 | -87 | -78.1 | 0 | 0 | 0 | 107.6 | L38 | L38-Y40 PolarHBondContact O-N 2.77Å; L38-Y40 VanDerWaalsContact O-N 3.09Å |
| 41 | G | 38.8 | Very low | 45.2 | Very low | 55 Ų | 55 | 150.5 Ų | 150.5 | 57% | 0.567 | 74% | 0.744 | S | S | * | * | trans | 102.7 | 87.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y43 | G41-Y43 VanDerWaalsContact C-N 3.3Å; G41-Y43 PolarHBondContact O-N 3.28Å | ||
| 42 | Y | 35.6 | Very low | 44.5 | Very low | 242 Ų | 242 | 149.8 Ų | 149.8 | 95% | 0.949 | 75% | 0.754 | S | S | * | * | trans | -54.1 | 92.6 | 155.6 | -129.7 | -99.2 | 0 | 0 | 0 | 108.8 | ||||
| 43 | Y | 42 | Very low | 44.1 | Very low | 193 Ų | 193 | 150.1 Ų | 150.1 | 76% | 0.757 | 77% | 0.766 | S | S | * | * | trans | -131.7 | 119.3 | 167.1 | -74.1 | -77.7 | 0 | 0 | 0 | 108.2 | G41 I45 | G41-Y43 VanDerWaalsContact C-N 3.3Å; G41-Y43 PolarHBondContact O-N 3.28Å; Y43-I45 PolarHBondContact O-N 2.81Å | ||
| 44 | P | 43.1 | Very low | 43.6 | Very low | 118 Ų | 118 | 148.2 Ų | 148.2 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | trans | -69.1 | 102.8 | 173.8 | 28 | -29.8 | 0 | 0 | 0 | 107.6 | V46 | P44-V46 VanDerWaalsContact C-N 3.32Å; P44-V46 PolarHBondContact O-N 2.87Å | ||
| 45 | I | 46.5 | Very low | 43.2 | Very low | 163 Ų | 163 | 142.9 Ų | 142.9 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | trans | -70.3 | 99.5 | 171.1 | -63.6 | 171.4 | 0 | 0 | 0 | 106.2 | Y43 S47 | Y43-I45 PolarHBondContact O-N 2.81Å; I45-S47 PolarHBondContact O-N 3.04Å | ||
| 46 | V | 46.2 | Very low | 43 | Very low | 111 Ų | 111 | 143.9 Ų | 143.9 | 67% | 0.673 | 77% | 0.771 | S | S | * | * | trans | -50.7 | 123.4 | 169.8 | -177.7 | 0 | 0 | 0 | 0 | 107.9 | P44 S48 | P44-V46 VanDerWaalsContact C-N 3.32Å; P44-V46 PolarHBondContact O-N 2.87Å; V46-S48 PolarHBondContact O-N 3.49Å | ||
| 47 | S | 39.3 | Very low | 43.3 | Very low | 122 Ų | 122 | 143.2 Ų | 143.2 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | trans | -61.4 | 93.3 | 176.6 | 55.7 | 0 | 0 | 0 | 0 | 110.5 | I45 | I45-S47 PolarHBondContact O-N 3.04Š| ||
| 48 | S | 37.7 | Very low | 43.4 | Very low | 106 Ų | 106 | 148.2 Ų | 148.2 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | trans | -143.4 | 111.7 | 165.4 | 53.1 | 0 | 0 | 0 | 0 | 109.9 | V46 | V46-S48 PolarHBondContact O-N 3.49Š| ||
| 49 | G | 38.6 | Very low | 43.5 | Very low | 74 Ų | 74 | 151.9 Ų | 151.9 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | trans | 109.1 | 23.4 | 149.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | P51 | G49-P51 WeakPolarHBondContact O-CD 3.07Š| ||
| 50 | L | 48.1 | Very low | 44 | Very low | 173 Ų | 173 | 149.3 Ų | 149.3 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | trans | -100.4 | 107 | 165.2 | -79 | 166.8 | 0 | 0 | 0 | 110.6 | S52 | L50-S52 PolarHBondContact O-N 3.13Š| ||
| 51 | P | 47.6 | Very low | 45.1 | Very low | 112 Ų | 112 | 150 Ų | 150 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -64.9 | 124.5 | 174.1 | 25.6 | -30.5 | 0 | 0 | 0 | 109.2 | G49 I53 | G49-P51 WeakPolarHBondContact O-CD 3.07Å; P51-I53 PolarHBondContact O-N 2.97Å | ||
| 52 | S | 42.4 | Very low | 45.8 | Very low | 107 Ų | 107 | 153.5 Ų | 153.5 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | trans | -63.6 | 101.3 | 177.2 | 69.8 | 0 | 0 | 0 | 0 | 109.7 | L50 N54 | L50-S52 PolarHBondContact O-N 3.13Å; S52-N54 PolarHBondContact O-N 2.94Å | ||
| 53 | I | 47.9 | Very low | 46.6 | Very low | 161 Ų | 161 | 151 Ų | 151 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | trans | -74.5 | 81.7 | 162.1 | -64.7 | 173.4 | 0 | 0 | 0 | 105.8 | P51 G55 | P51-I53 PolarHBondContact O-N 2.97Å; I53-G55 PolarHBondContact O-N 2.92Å | ||
| 54 | N | 42.7 | Very low | 46.8 | Very low | 153 Ų | 153 | 151.9 Ų | 151.9 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -77.2 | 63.4 | 172.7 | -145.9 | -1.2 | 0 | 0 | 0 | 107.9 | S52 | S52-N54 PolarHBondContact O-N 2.94Š| ||
| 55 | G | 45.1 | Very low | 46.8 | Very low | 48 Ų | 48 | 156.6 Ų | 156.6 | 50% | 0.495 | 81% | 0.809 | S | S | . | * | trans | -81.5 | 112.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | I53 L57 | I53-G55 PolarHBondContact O-N 2.92Å; G55-L57 VanDerWaalsContact C-N 3.34Å; G55-L57 PolarHBondContact O-N 3.39Å | ||
| 56 | K | 45 | Very low | 47 | Very low | 210 Ų | 210 | 156.9 Ų | 156.9 | 91% | 0.913 | 80% | 0.8 | S | S | * | * | trans | -51.6 | 86.3 | -179.7 | -64.5 | 174.4 | 178.2 | 175.8 | 0 | 112.3 | K58 | K56-K58 PolarHBondContact O-N 3.03Å; K56-K58 VanDerWaalsContact O-N 3.12Å | ||
| 57 | L | 51 | Low | 47.7 | Very low | 166 Ų | 166 | 157 Ų | 157 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | trans | -79.3 | 95 | 170.1 | -101.6 | 149.1 | 0 | 0 | 0 | 109 | G55 R59 | G55-L57 VanDerWaalsContact C-N 3.34Å; G55-L57 PolarHBondContact O-N 3.39Å; L57-R59 PolarHBondContact O-N 2.6Å | ||
| 58 | K | 49.7 | Very low | 48.1 | Very low | 194 Ų | 194 | 161.3 Ų | 161.3 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | -49.6 | 106.9 | 170.3 | -147.4 | 175.6 | -172.8 | -179 | 0 | 108.2 | K56 L60 | K56-K58 PolarHBondContact O-N 3.03Å; K56-K58 VanDerWaalsContact O-N 3.12Å; K58-L60 PolarHBondContact O-N 2.9Å | ||
| 59 | R | 49.2 | Very low | 48.4 | Very low | 245 Ų | 245 | 167 Ų | 167 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | trans | -60.8 | 99.1 | 178.7 | -78.3 | 179.1 | 169.3 | 175 | -3.5 | 110 | L57 R61 | L57-R59 PolarHBondContact O-N 2.6Å; R59-R61 PolarHBondContact O-N 3.09Å | ||
| 60 | L | 51.9 | Low | 48.7 | Very low | 167 Ų | 167 | 174.2 Ų | 174.2 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 116.6 | 163.6 | -70.6 | 168.8 | 0 | 0 | 0 | 107.4 | K58 | K58-L60 PolarHBondContact O-N 2.9Š|
| 61 | R | 59 | Low | 48.6 | Very low | 231 Ų | 231 | 169.2 Ų | 169.2 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 133.7 | 177.7 | -67.2 | -177.8 | -178.9 | 176.3 | -0 | 109.2 | R59 K63 | R59-R61 PolarHBondContact O-N 3.09Å; R61-K63 PolarHBondContact O-N 3.4Å |
| 62 | P | 54.1 | Low | 48.2 | Very low | 127 Ų | 127 | 172.1 Ų | 172.1 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 118.1 | 174.1 | 25.5 | -30.3 | 0 | 0 | 0 | 109.3 | R64 | P62-R64 PolarHBondContact O-N 3.19Š|
| 63 | K | 51.4 | Low | 48.4 | Very low | 189 Ų | 189 | 170.8 Ų | 170.8 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 122.7 | 164.3 | -79.6 | -177.2 | 175 | -179.6 | 0 | 107.3 | R61 Y65 | R61-K63 PolarHBondContact O-N 3.4Å; K63-Y65 PolarHBondContact O-N 3.16Å; K63-Y65 VanDerWaalsContact O-N 3.16Å |
| 64 | R | 46 | Very low | 48.5 | Very low | 213 Ų | 213 | 173.2 Ų | 173.2 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -59.1 | 113.8 | 171.6 | -78.2 | 179.3 | 172.3 | 179 | -2.3 | 109 | P62 | P62-R64 PolarHBondContact O-N 3.19Š| ||
| 65 | Y | 44.7 | Very low | 48.7 | Very low | 216 Ų | 216 | 178.4 Ų | 178.4 | 85% | 0.847 | 82% | 0.819 | S | S | * | * | trans | -104.5 | 115.7 | 162.7 | -105.6 | -89 | 0 | 0 | 0 | 107.6 | K63 | K63-Y65 PolarHBondContact O-N 3.16Å; K63-Y65 VanDerWaalsContact O-N 3.16Å | ||
| 66 | Y | 50.1 | Low | 48.5 | Very low | 170 Ų | 170 | 181.8 Ų | 181.8 | 67% | 0.667 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 131.6 | 172.2 | -76.9 | -95.7 | 0 | 0 | 0 | 108.7 | Y68 | Y66-Y68 PolarHBondContact O-N 3.29Š|
| 67 | P | 61.1 | Low | 48.5 | Very low | 112 Ų | 112 | 174.8 Ų | 174.8 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 116.8 | 172.2 | 28.5 | -29.4 | 0 | 0 | 0 | 108.9 | Y69 | P67-Y69 PolarHBondContact O-N 3.36Š|
| 68 | Y | 46.3 | Very low | 48.2 | Very low | 214 Ų | 214 | 177 Ų | 177 | 84% | 0.839 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 119.1 | 168.7 | -81.2 | -95 | 0 | 0 | 0 | 109.1 | Y66 Y70 | Y66-Y68 PolarHBondContact O-N 3.29Å; Y68-Y70 PolarHBondContact O-N 3.33Å |
| 69 | Y | 44.6 | Very low | 47.6 | Very low | 224 Ų | 224 | 178.2 Ų | 178.2 | 88% | 0.878 | 82% | 0.819 | S | S | * | * | trans | -69.9 | 113 | 169.2 | -88.5 | -101 | 0 | 0 | 0 | 109.9 | P67 | P67-Y69 PolarHBondContact O-N 3.36Š| ||
| 70 | Y | 46.1 | Very low | 47.3 | Very low | 226 Ų | 226 | 172 Ų | 172 | 89% | 0.886 | 81% | 0.813 | S | S | * | * | trans | -136 | 113.5 | 154.5 | -90.4 | -94.3 | 0 | 0 | 0 | 103 | Y68 | Y68-Y70 PolarHBondContact O-N 3.33Š| ||
| 71 | G | 44.3 | Very low | 46.5 | Very low | 68 Ų | 68 | 168.8 Ų | 168.8 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | 113.3 | 117.4 | 54.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 72 | H | 40.9 | Very low | 45.7 | Very low | 173 Ų | 173 | 169 Ų | 169 | 80% | 0.801 | 81% | 0.806 | S | S | * | * | trans | 69.5 | 86.9 | 171 | -77.5 | -55.7 | 0 | 0 | 0 | 120 | W74 | H72-W74 AromaticContact CE1-NE1 3.78Å; H72-W74 AromaticContact ND1-CD1 3.69Å; H72-W74 AromaticContact ND1-NE1 3.32Å; H72-W74 PolarHBondContact ND1-NE1 3.32Å | ||
| 73 | G | 46.5 | Very low | 45 | Very low | 79 Ų | 79 | 173.4 Ų | 173.4 | 81% | 0.814 | 81% | 0.807 | S | S | * | * | trans | -117.2 | 101.8 | 150.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | W75 | G73-W75 PolarHBondContact O-N 3.46Š| ||
| 74 | W | 48.4 | Very low | 44.4 | Very low | 213 Ų | 213 | 169.1 Ų | 169.1 | 81% | 0.807 | 80% | 0.801 | S | S | * | * | trans | -73.6 | 116.5 | 173.7 | -75.9 | 56.2 | 0 | 0 | 0 | 109.2 | H72 | H72-W74 AromaticContact CE1-NE1 3.78Å; H72-W74 AromaticContact ND1-CD1 3.69Å; H72-W74 AromaticContact ND1-NE1 3.32Å; H72-W74 PolarHBondContact ND1-NE1 3.32Å | ||
| 75 | W | 47.5 | Very low | 44.2 | Very low | 261 Ų | 261 | 164.3 Ų | 164.3 | 99% | 0.989 | 80% | 0.798 | S | S | * | * | trans | -125.2 | 102 | 169.4 | -130.6 | 21.8 | 0 | 0 | 0 | 109.5 | G73 | G73-W75 PolarHBondContact O-N 3.46Š| ||
| 76 | P | 40.9 | Very low | 44.3 | Very low | 119 Ų | 119 | 165.7 Ų | 165.7 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | -95.9 | 119 | 170.5 | 33.2 | -23.1 | 0 | 0 | 0 | 108.5 | ||||
| 77 | G | 45.4 | Very low | 43.9 | Very low | 64 Ų | 64 | 168 Ų | 168 | 66% | 0.66 | 81% | 0.811 | S | S | * | * | trans | 172.4 | 95.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 78 | Y | 43.5 | Very low | 42.9 | Very low | 213 Ų | 213 | 165.5 Ų | 165.5 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | 55.1 | 109.4 | 142.9 | -65 | -90.9 | 0 | 0 | 0 | 120.3 | ||||
| 79 | Y | 38.1 | Very low | 42.7 | Very low | 218 Ų | 218 | 162.9 Ų | 162.9 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | trans | 46.8 | 102.9 | 138 | -71.9 | -95.2 | 0 | 0 | 0 | 119.6 | ||||
| 80 | S | 42 | Very low | 42.6 | Very low | 114 Ų | 114 | 156.1 Ų | 156.1 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | -163.7 | 100.9 | 129.3 | 45.2 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 81 | S | 35.4 | Very low | 42.6 | Very low | 101 Ų | 101 | 157.9 Ų | 157.9 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | trans | -51.3 | 140.3 | 157.1 | 58.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 82 | W | 41.6 | Very low | 42.5 | Very low | 235 Ų | 235 | 157.5 Ų | 157.5 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | trans | 91 | 84.5 | 172.5 | -55.2 | 25.4 | 0 | 0 | 0 | 114.4 | ||||
| 83 | Y | 39.4 | Very low | 42.6 | Very low | 219 Ų | 219 | 161.3 Ų | 161.3 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | -175.8 | 95.3 | 126.9 | -121.1 | -99.1 | 0 | 0 | 0 | 108.6 | P85 | Y83-P85 WeakPolarHBondContact O-CD 3.39Š| |||
| 84 | S | 39.3 | Very low | 42.5 | Very low | 99 Ų | 99 | 169.2 Ų | 169.2 | 69% | 0.692 | 81% | 0.805 | S | S | * | * | trans | -74.5 | 118.2 | 162 | -74.9 | 0 | 0 | 0 | 0 | 108 | W86 | S84-W86 PolarHBondContact O-N 3.05Š| ||
| 85 | P | 42.6 | Very low | 42.2 | Very low | 113 Ų | 113 | 170.8 Ų | 170.8 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | 35.3 | 179.3 | 35.5 | -33.1 | 0 | 0 | 0 | 112.2 | Y83 | Y83-P85 WeakPolarHBondContact O-CD 3.39Š|
| 86 | W | 46.6 | Very low | 42.2 | Very low | 245 Ų | 245 | 174 Ų | 174 | 93% | 0.928 | 82% | 0.824 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | 22.5 | 169.6 | -72 | 80.3 | 0 | 0 | 0 | 111.9 | S84 G88 | S84-W86 PolarHBondContact O-N 3.05Å; W86-G88 PolarHBondContact O-N 3.45Å |
| 87 | Y | 42.2 | Very low | 42.2 | Very low | 219 Ų | 219 | 176.8 Ų | 176.8 | 86% | 0.859 | 83% | 0.826 | S | S | * | * | trans | -86.2 | 91.7 | 158.5 | -115.9 | -90.3 | 0 | 0 | 0 | 107.7 | ||||
| 88 | G | 39.7 | Very low | 42.1 | Very low | 58 Ų | 58 | 182.7 Ų | 182.7 | 60% | 0.598 | 84% | 0.835 | S | S | * | * | trans | 175.1 | 28.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | W86 | W86-G88 PolarHBondContact O-N 3.45Š| ||
| 89 | D | 40.6 | Very low | 42 | Very low | 159 Ų | 159 | 181.1 Ų | 181.1 | 85% | 0.85 | 84% | 0.835 | S | S | * | * | trans | -158 | 60.7 | 154.8 | -90.9 | -28.5 | 0 | 0 | 0 | 107.9 | ||||
| 90 | S | 42.9 | Very low | 42.2 | Very low | 83 Ų | 83 | 178.9 Ų | 178.9 | 58% | 0.58 | 83% | 0.834 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.2 | 141.7 | 144.7 | -40 | 0 | 0 | 0 | 0 | 107.1 | ||
| 91 | W | 46.7 | Very low | 42.2 | Very low | 263 Ų | 263 | 182.9 Ų | 182.9 | 100% | 0.996 | 84% | 0.836 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 114.1 | 10.8 | 176.8 | -62.6 | 48.4 | 0 | 0 | 0 | 115.6 | ||
| 92 | G | 42.1 | Very low | 42.7 | Very low | 60 Ų | 60 | 188.4 Ų | 188.4 | 62% | 0.619 | 85% | 0.845 | S | S | * | * | S | Bend | trans | -102.7 | 0.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||
| 93 | W | 42.4 | Very low | 42.7 | Very low | 252 Ų | 252 | 185.1 Ų | 185.1 | 96% | 0.955 | 84% | 0.841 | S | S | * | * | S | Bend | trans | -135.5 | 26.6 | -170.4 | -69.6 | 87.7 | 0 | 0 | 0 | 115.2 | ||
| 94 | W | 45.1 | Very low | 43 | Very low | 245 Ų | 245 | 182.5 Ų | 182.5 | 93% | 0.928 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -111.6 | 30.4 | 174.7 | -107.4 | 58.4 | 0 | 0 | 0 | 113.2 | ||
| 95 | W | 42.5 | Very low | 43.3 | Very low | 247 Ų | 247 | 189.4 Ų | 189.4 | 94% | 0.936 | 85% | 0.852 | S | S | * | * | trans | -139 | 75.5 | 173.9 | -74 | 85.3 | 0 | 0 | 0 | 109.4 | ||||
| 96 | W | 46.3 | Very low | 43.4 | Very low | 329 Ų | 329 | 196.4 Ų | 196.4 | 100% | 1.246 | 86% | 0.863 | S | S | * | * | trans | -151.7 | 0 | 153.7 | -122.9 | 64.6 | 0 | 0 | 0 | 108.2 |
Retrieved 96 of 96 residues in 25.6 ms
(Link to these results)