| 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 | 45.1 | Very low | 57.5 | Low | 243 Ų | 243 | 149.6 Ų | 149.6 | 100% | 1.197 | 78% | 0.782 | S | S | * | * | 0 | 107.6 | 0 | -142.6 | 148.3 | -169.4 | 0 | 0 | 105.9 | E3 | M1-E3 PolarHBondContact O-N 2.95Š| |||
| 2 | G | 47.9 | Very low | 59.8 | Low | 77 Ų | 77 | 145.4 Ų | 145.4 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | trans | -69.2 | 115.4 | -170.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | K4 | G2-K4 PolarHBondContact O-N 2.96Š| ||
| 3 | E | 50.4 | Low | 61.4 | Low | 182 Ų | 182 | 142.5 Ų | 142.5 | 85% | 0.85 | 74% | 0.744 | S | S | * | * | trans | -67.9 | 93.6 | 171.9 | -62.6 | 176.8 | 98.2 | 0 | 0 | 109 | M1 K5 | M1-E3 PolarHBondContact O-N 2.95Å; E3-K5 VanDerWaalsContact C-N 3.26Å; E3-K5 PolarHBondContact O-N 2.88Å | ||
| 4 | K | 49 | Very low | 62.8 | Low | 200 Ų | 200 | 138.4 Ų | 138.4 | 87% | 0.87 | 72% | 0.723 | S | S | * | * | trans | -76.7 | 83.5 | 165.9 | 47.2 | -174.3 | 173.1 | 81.7 | 0 | 108.9 | G2 | G2-K4 PolarHBondContact O-N 2.96Š| ||
| 5 | K | 44.1 | Very low | 64.4 | Low | 179 Ų | 179 | 136.3 Ų | 136.3 | 78% | 0.778 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 129.6 | 161.8 | -83.5 | 173.8 | 174.3 | 168 | 0 | 107.6 | E3 E7 | E3-K5 VanDerWaalsContact C-N 3.26Å; E3-K5 PolarHBondContact O-N 2.88Å; K5-E7 PolarHBondContact O-N 3.41Å; K5-E7 VanDerWaalsContact O-N 3.11Å |
| 6 | P | 56.4 | Low | 65.8 | Low | 122 Ų | 122 | 135.9 Ų | 135.9 | 79% | 0.792 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 120.5 | 171 | 24.6 | -30.7 | 0 | 0 | 0 | 107.3 | ||
| 7 | E | 60.9 | Low | 66.9 | Low | 146 Ų | 146 | 135.1 Ų | 135.1 | 68% | 0.682 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 127.6 | 175.8 | -152.9 | -177.6 | 146.8 | 0 | 0 | 106.8 | K5 L9 K13 | K5-E7 PolarHBondContact O-N 3.41Å; K5-E7 VanDerWaalsContact O-N 3.11Å; E7-L9 PolarHBondContact O-N 2.82Å; E7-K13 IonicContact OE1-NZ 3.15Å |
| 8 | P | 63.1 | Low | 67.9 | Low | 113 Ų | 113 | 135.4 Ų | 135.4 | 73% | 0.734 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 118 | 175.7 | 22.4 | -30.4 | 0 | 0 | 0 | 107.1 | D10 | P8-D10 PolarHBondContact O-N 2.96Š|
| 9 | L | 61.8 | Low | 68.8 | Low | 160 Ų | 160 | 134.1 Ų | 134.1 | 84% | 0.838 | 68% | 0.679 | S | S | * | * | trans | -56.1 | 101.5 | 179.9 | -70.7 | 170.8 | 0 | 0 | 0 | 108.1 | E7 F11 | E7-L9 PolarHBondContact O-N 2.82Å; L9-F11 PolarHBondContact O-N 2.82Å | ||
| 10 | D | 74.9 | Confident | 69.5 | Low | 85 Ų | 85 | 131.9 Ų | 131.9 | 46% | 0.455 | 67% | 0.673 | S | S | . | * | trans | -80.4 | 81.1 | 179.3 | -173.7 | 6.6 | 0 | 0 | 0 | 107.5 | P8 V12 K13 D14 | P8-D10 PolarHBondContact O-N 2.96Å; D10-V12 PolarHBondContact O-N 3.11Å; D10-K13 HydrophobicContact CB-CB 3.91Å; D10-K13 WeakPolarHBondContact O-CA 3.45Å; D10-K13 VanDerWaalsContact O-CB 3.31Å; D10-K13 WeakPolarHBondContact O-CB 3.38Å; D10-K13 PolarHBondContact O-N 3.47Å; D10-D14 PolarHBondContact O-N 3.04Å | ||
| 11 | F | 78.9 | Confident | 70.1 | Confident | 139 Ų | 139 | 130.4 Ų | 130.4 | 61% | 0.61 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -46.2 | -32.6 | -179.6 | 175.9 | -94 | 0 | 0 | 0 | 112.8 | L9 F15 | L9-F11 PolarHBondContact O-N 2.82Å; F11-F15 HydrophobicContact CD1-CD2 4.04Å; F11-F15 HydrophobicContact CD1-CE2 4.45Å; F11-F15 HydrophobicContact CD2-CD2 4.07Å; F11-F15 HydrophobicContact CD2-CE2 4.06Å; F11-F15 AromaticContact CE1-CD2 3.63Å; F11-F15 HydrophobicContact CE1-CD2 3.63Å; F11-F15 AromaticContact CE1-CE2 3.69Å; F11-F15 HydrophobicContact CE1-CE2 3.69Å; F11-F15 HydrophobicContact CE1-CG 4.3Å; F11-F15 HydrophobicContact CE1-CZ 4.35Å; F11-F15 AromaticContact CE2-CD2 3.67Å; F11-F15 HydrophobicContact CE2-CD2 3.67Å; F11-F15 AromaticContact CE2-CE2 3.24Å; F11-F15 HydrophobicContact CE2-CE2 3.24Å; F11-F15 HydrophobicContact CE2-CZ 4.22Å; F11-F15 HydrophobicContact CG-CD2 4.26Å; F11-F15 AromaticContact CZ-CD2 3.44Å; F11-F15 HydrophobicContact CZ-CD2 3.44Å; F11-F15 VanDerWaalsContact CZ-CD2 3.44Å; F11-F15 AromaticContact CZ-CE2 3.01Å; F11-F15 HydrophobicContact CZ-CE2 3.01Å; F11-F15 HydrophobicContact CZ-CG 4.41Å; F11-F15 AromaticContact CZ-CZ 3.68Å; F11-F15 HydrophobicContact CZ-CZ 3.68Å; F11-F15 WeakPolarHBondContact O-CB 3.31Å; F11-F15 WeakPolarHBondContact O-CD2 3.31Å; F11-F15 PolarHBondContact O-N 3.01Å |
| 12 | V | 84.6 | Confident | 71.5 | Confident | 99 Ų | 99 | 123.2 Ų | 123.2 | 60% | 0.6 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -69.2 | -42 | 178.1 | -178.5 | 0 | 0 | 0 | 0 | 111.2 | D10 F15 Q16 | D10-V12 PolarHBondContact O-N 3.11Å; V12-F15 PolarHBondContact O-N 3.02Å; V12-Q16 VanDerWaalsContact O-CB 3.31Å; V12-Q16 WeakPolarHBondContact O-CB 3.41Å; V12-Q16 PolarHBondContact O-N 3Å |
| 13 | K | 81.1 | Confident | 72.8 | Confident | 108 Ų | 108 | 123.5 Ų | 123.5 | 47% | 0.47 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -67 | -42.3 | 176 | -174 | -173.8 | 172.1 | -156 | 0 | 111.5 | E7 D10 Q16 E17 | E7-K13 IonicContact OE1-NZ 3.15Å; D10-K13 HydrophobicContact CB-CB 3.91Å; D10-K13 WeakPolarHBondContact O-CA 3.45Å; D10-K13 VanDerWaalsContact O-CB 3.31Å; D10-K13 WeakPolarHBondContact O-CB 3.38Å; D10-K13 PolarHBondContact O-N 3.47Å; K13-Q16 PolarHBondContact O-N 3.26Å; K13-E17 WeakPolarHBondContact O-CB 3.33Å; K13-E17 PolarHBondContact O-N 3.38Å |
| 14 | D | 81.6 | Confident | 73.7 | Confident | 84 Ų | 84 | 120 Ų | 120 | 45% | 0.449 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -61.2 | -43.8 | 173.3 | -81.2 | -66.9 | 0 | 0 | 0 | 111.7 | D10 Q16 E17 Y18 | D10-D14 PolarHBondContact O-N 3.04Å; D14-Q16 VanDerWaalsContact C-N 3.34Å; D14-Q16 PolarHBondContact O-N 3.4Å; D14-E17 PolarHBondContact O-N 2.89Å; D14-Y18 WeakPolarHBondContact O-CB 3.35Å; D14-Y18 PolarHBondContact O-N 2.85Å |
| 15 | F | 85.8 | Confident | 74.6 | Confident | 107 Ų | 107 | 115.5 Ų | 115.5 | 47% | 0.469 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64 | -40 | 175.1 | -102.5 | -102.2 | 0 | 0 | 0 | 112.3 | F11 V12 Y18 L19 | F11-F15 HydrophobicContact CD1-CD2 4.04Å; F11-F15 HydrophobicContact CD1-CE2 4.45Å; F11-F15 HydrophobicContact CD2-CD2 4.07Å; F11-F15 HydrophobicContact CD2-CE2 4.06Å; F11-F15 AromaticContact CE1-CD2 3.63Å; F11-F15 HydrophobicContact CE1-CD2 3.63Å; F11-F15 AromaticContact CE1-CE2 3.69Å; F11-F15 HydrophobicContact CE1-CE2 3.69Å; F11-F15 HydrophobicContact CE1-CG 4.3Å; F11-F15 HydrophobicContact CE1-CZ 4.35Å; F11-F15 AromaticContact CE2-CD2 3.67Å; F11-F15 HydrophobicContact CE2-CD2 3.67Å; F11-F15 AromaticContact CE2-CE2 3.24Å; F11-F15 HydrophobicContact CE2-CE2 3.24Å; F11-F15 HydrophobicContact CE2-CZ 4.22Å; F11-F15 HydrophobicContact CG-CD2 4.26Å; F11-F15 AromaticContact CZ-CD2 3.44Å; F11-F15 HydrophobicContact CZ-CD2 3.44Å; F11-F15 VanDerWaalsContact CZ-CD2 3.44Å; F11-F15 AromaticContact CZ-CE2 3.01Å; F11-F15 HydrophobicContact CZ-CE2 3.01Å; F11-F15 HydrophobicContact CZ-CG 4.41Å; F11-F15 AromaticContact CZ-CZ 3.68Å; F11-F15 HydrophobicContact CZ-CZ 3.68Å; F11-F15 WeakPolarHBondContact O-CB 3.31Å; F11-F15 WeakPolarHBondContact O-CD2 3.31Å; F11-F15 PolarHBondContact O-N 3.01Å; V12-F15 PolarHBondContact O-N 3.02Å; F15-Y18 PolarHBondContact O-N 3.49Å; F15-L19 WeakPolarHBondContact O-CG 3.42Å; F15-L19 PolarHBondContact O-N 3.07Å |
| 16 | Q | 86.5 | Confident | 75.8 | Confident | 131 Ų | 131 | 111 Ų | 111 | 61% | 0.612 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -66.9 | -39.7 | 177.9 | -168.4 | 172.3 | 17.3 | 0 | 0 | 111.8 | V12 K13 D14 T20 | V12-Q16 VanDerWaalsContact O-CB 3.31Å; V12-Q16 WeakPolarHBondContact O-CB 3.41Å; V12-Q16 PolarHBondContact O-N 3Å; K13-Q16 PolarHBondContact O-N 3.26Å; D14-Q16 VanDerWaalsContact C-N 3.34Å; D14-Q16 PolarHBondContact O-N 3.4Å; Q16-T20 WeakPolarHBondContact O-CB 3.42Å; Q16-T20 PolarHBondContact O-N 3.27Å; Q16-T20 VanDerWaalsContact O-N 3.07Å; Q16-T20 PolarHBondContact O-OG1 3.42Å |
| 17 | E | 84.7 | Confident | 76.4 | Confident | 122 Ų | 122 | 110.7 Ų | 110.7 | 57% | 0.57 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.6 | -43 | 173.7 | -169.3 | 169.9 | 101.9 | 0 | 0 | 110.9 | K13 D14 L19 T20 Q21 | K13-E17 WeakPolarHBondContact O-CB 3.33Å; K13-E17 PolarHBondContact O-N 3.38Å; D14-E17 PolarHBondContact O-N 2.89Å; E17-L19 PolarHBondContact O-N 3.17Å; E17-T20 PolarHBondContact O-N 3.13Å; E17-Q21 WeakPolarHBondContact O-CB 3.44Å; E17-Q21 PolarHBondContact O-N 3.26Å |
| 18 | Y | 85.3 | Confident | 76.7 | Confident | 141 Ų | 141 | 110.8 Ų | 110.8 | 55% | 0.553 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -59.2 | -47.1 | 175.8 | -179.5 | -97.6 | 0 | 0 | 0 | 112.8 | D14 F15 T20 Q21 Q22 | D14-Y18 WeakPolarHBondContact O-CB 3.35Å; D14-Y18 PolarHBondContact O-N 2.85Å; F15-Y18 PolarHBondContact O-N 3.49Å; Y18-T20 VanDerWaalsContact C-N 3.3Å; Y18-T20 PolarHBondContact O-N 2.92Å; Y18-Q21 PolarHBondContact O-N 2.74Å; Y18-Q22 HydrophobicContact CE1-CG 4.23Å; Y18-Q22 WeakPolarHBondContact O-CG 3.41Å; Y18-Q22 PolarHBondContact O-N 3.2Å; Y18-Q22 VanDerWaalsContact O-N 3.13Å |
| 19 | L | 86 | Confident | 76.7 | Confident | 109 Ų | 109 | 112 Ų | 112 | 57% | 0.571 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.5 | -36.7 | 176.8 | -69.3 | 173.9 | 0 | 0 | 0 | 112.2 | F15 E17 T23 | F15-L19 WeakPolarHBondContact O-CG 3.42Å; F15-L19 PolarHBondContact O-N 3.07Å; E17-L19 PolarHBondContact O-N 3.17Å; L19-T23 PolarHBondContact O-N 3Å; L19-T23 PolarHBondContact O-OG1 3.14Å |
| 20 | T | 82.9 | Confident | 76.7 | Confident | 91 Ų | 91 | 109.1 Ų | 109.1 | 56% | 0.558 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -69.4 | -42.3 | 178.4 | -55.8 | 0 | 0 | 0 | 0 | 111.3 | Q16 E17 Y18 Q22 T23 H24 | Q16-T20 WeakPolarHBondContact O-CB 3.42Å; Q16-T20 PolarHBondContact O-N 3.27Å; Q16-T20 VanDerWaalsContact O-N 3.07Å; Q16-T20 PolarHBondContact O-OG1 3.42Å; E17-T20 PolarHBondContact O-N 3.13Å; Y18-T20 VanDerWaalsContact C-N 3.3Å; Y18-T20 PolarHBondContact O-N 2.92Å; T20-Q22 VanDerWaalsContact C-N 3.34Å; T20-Q22 PolarHBondContact O-N 3.3Å; T20-T23 PolarHBondContact O-N 2.85Å; T20-H24 PolarHBondContact O-N 3.38Å; T20-H24 VanDerWaalsContact O-N 3.14Å |
| 21 | Q | 81.9 | Confident | 76 | Confident | 101 Ų | 101 | 107.7 Ų | 107.7 | 47% | 0.472 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60.6 | -42 | 176.8 | -167.7 | 73.8 | 75.7 | 0 | 0 | 111.8 | E17 Y18 H25 | E17-Q21 WeakPolarHBondContact O-CB 3.44Å; E17-Q21 PolarHBondContact O-N 3.26Å; Y18-Q21 PolarHBondContact O-N 2.74Å; Q21-H25 PolarHBondContact O-N 3.32Å |
| 22 | Q | 73.4 | Confident | 75 | Confident | 91 Ų | 91 | 107 Ų | 107 | 43% | 0.425 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64 | -42.8 | 176.2 | -74.2 | -68.7 | -33.7 | 0 | 0 | 112.1 | Y18 T20 H24 H25 V26 | Y18-Q22 HydrophobicContact CE1-CG 4.23Å; Y18-Q22 WeakPolarHBondContact O-CG 3.41Å; Y18-Q22 PolarHBondContact O-N 3.2Å; Y18-Q22 VanDerWaalsContact O-N 3.13Å; T20-Q22 VanDerWaalsContact C-N 3.34Å; T20-Q22 PolarHBondContact O-N 3.3Å; Q22-H24 VanDerWaalsContact C-N 3.34Å; Q22-H24 PolarHBondContact O-N 3.42Å; Q22-H25 PolarHBondContact O-N 3.44Å; Q22-V26 PolarHBondContact O-N 3.45Å |
| 23 | T | 76.4 | Confident | 73.6 | Confident | 83 Ų | 83 | 109.3 Ų | 109.3 | 51% | 0.509 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63 | -39.5 | -179.8 | -58.2 | 0 | 0 | 0 | 0 | 112.1 | L19 T20 H25 V26 N27 | L19-T23 PolarHBondContact O-N 3Å; L19-T23 PolarHBondContact O-OG1 3.14Å; T20-T23 PolarHBondContact O-N 2.85Å; T23-H25 PolarHBondContact O-N 3.2Å; T23-V26 PolarHBondContact O-N 3.39Å; T23-N27 PolarHBondContact O-N 3.48Å |
| 24 | H | 68.8 | Low | 72.2 | Confident | 110 Ų | 110 | 109.7 Ų | 109.7 | 51% | 0.509 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62.5 | -39.9 | 177.8 | -178.1 | -100.4 | 0 | 0 | 0 | 112.8 | T20 Q22 M28 | T20-H24 PolarHBondContact O-N 3.38Å; T20-H24 VanDerWaalsContact O-N 3.14Å; Q22-H24 VanDerWaalsContact C-N 3.34Å; Q22-H24 PolarHBondContact O-N 3.42Å; H24-M28 WeakPolarHBondContact O-CG 3.39Å |
| 25 | H | 66.9 | Low | 70.8 | Confident | 105 Ų | 105 | 109 Ų | 109 | 49% | 0.486 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66.8 | -38.8 | 178.2 | -75.3 | -177.7 | 0 | 0 | 0 | 113.1 | Q21 Q22 T23 N27 M28 I29 | Q21-H25 PolarHBondContact O-N 3.32Å; Q22-H25 PolarHBondContact O-N 3.44Å; T23-H25 PolarHBondContact O-N 3.2Å; H25-N27 VanDerWaalsContact C-N 3.34Å; H25-N27 PolarHBondContact O-N 3.3Å; H25-M28 PolarHBondContact O-N 3.2Å; H25-I29 WeakPolarHBondContact O-CG1 3.16Å |
| 26 | V | 69.9 | Low | 68.7 | Low | 84 Ų | 84 | 111.9 Ų | 111.9 | 51% | 0.509 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -66.4 | -37.6 | 180 | 174.3 | 0 | 0 | 0 | 0 | 111.8 | Q22 T23 M28 I29 S30 | Q22-V26 PolarHBondContact O-N 3.45Å; T23-V26 PolarHBondContact O-N 3.39Å; V26-M28 PolarHBondContact O-N 3.26Å; V26-I29 PolarHBondContact O-N 3.45Å; V26-I29 VanDerWaalsContact O-N 3.14Å; V26-S30 PolarHBondContact O-N 3.44Å; V26-S30 PolarHBondContact O-OG 3.14Å |
| 27 | N | 68.6 | Low | 67.1 | Low | 116 Ų | 116 | 114.6 Ų | 114.6 | 62% | 0.62 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -64.9 | -27.1 | 177.6 | -72 | -13.6 | 0 | 0 | 0 | 112.9 | T23 H25 | T23-N27 PolarHBondContact O-N 3.48Å; H25-N27 VanDerWaalsContact C-N 3.34Å; H25-N27 PolarHBondContact O-N 3.3Å |
| 28 | M | 68.2 | Low | 65.4 | Low | 147 Ų | 147 | 116.4 Ų | 116.4 | 72% | 0.724 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -78.3 | -17.5 | 176.5 | -68.3 | -77.9 | -68.7 | 0 | 0 | 113.5 | H24 H25 V26 | H24-M28 WeakPolarHBondContact O-CG 3.39Å; H25-M28 PolarHBondContact O-N 3.2Å; V26-M28 PolarHBondContact O-N 3.26Å |
| 29 | I | 62.4 | Low | 63.3 | Low | 138 Ų | 138 | 114.5 Ų | 114.5 | 71% | 0.708 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -98.2 | -13.3 | -176.2 | -60.8 | 167.2 | 0 | 0 | 0 | 112.1 | H25 V26 G31 | H25-I29 WeakPolarHBondContact O-CG1 3.16Å; V26-I29 PolarHBondContact O-N 3.45Å; V26-I29 VanDerWaalsContact O-N 3.14Å; I29-G31 PolarHBondContact O-N 3.02Å |
| 30 | S | 61.8 | Low | 61.6 | Low | 101 Ų | 101 | 117.4 Ų | 117.4 | 71% | 0.706 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -76 | 9.8 | -173.1 | -65.3 | 0 | 0 | 0 | 0 | 115 | V26 | V26-S30 PolarHBondContact O-N 3.44Å; V26-S30 PolarHBondContact O-OG 3.14Å |
| 31 | G | 60.2 | Low | 59.5 | Low | 54 Ų | 54 | 120 Ų | 120 | 56% | 0.557 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -125 | 115.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | I29 | I29-G31 PolarHBondContact O-N 3.02Š|
| 32 | S | 58.2 | Low | 57.8 | Low | 124 Ų | 124 | 122.8 Ų | 122.8 | 87% | 0.867 | 71% | 0.708 | S | S | * | * | trans | 99.4 | 78.8 | 162.5 | -33.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 33 | V | 55.7 | Low | 56.3 | Low | 148 Ų | 148 | 127.4 Ų | 127.4 | 90% | 0.897 | 73% | 0.729 | S | S | * | * | trans | -122.3 | 89.8 | 140.3 | 72.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 34 | S | 50.3 | Low | 54.2 | Low | 116 Ų | 116 | 126.9 Ų | 126.9 | 81% | 0.811 | 74% | 0.741 | S | S | * | * | trans | -88.3 | 113.9 | 166.2 | -73.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 35 | G | 52.3 | Low | 52.5 | Low | 70 Ų | 70 | 126.6 Ų | 126.6 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | trans | -70.8 | 127.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | K37 | G35-K37 PolarHBondContact O-N 3.3Š| ||
| 36 | D | 43.2 | Very low | 51.3 | Low | 168 Ų | 168 | 124.8 Ų | 124.8 | 90% | 0.898 | 77% | 0.767 | S | S | * | * | trans | -65.3 | 127 | 161.4 | -98.7 | -89.9 | 0 | 0 | 0 | 109 | ||||
| 37 | K | 51.8 | Low | 49.7 | Very low | 187 Ų | 187 | 127.1 Ų | 127.1 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | -110.6 | 126.9 | 170.7 | -110 | -178.5 | 172.9 | -178.4 | 0 | 108.6 | G35 | G35-K37 PolarHBondContact O-N 3.3Š| ||
| 38 | E | 48.9 | Very low | 48.6 | Very low | 161 Ų | 161 | 129.1 Ų | 129.1 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | trans | -37.9 | 138.1 | 167.8 | 52.7 | -116.6 | 58.3 | 0 | 0 | 116.1 | ||||
| 39 | A | 40.7 | Very low | 47.2 | Very low | 100 Ų | 100 | 125.7 Ų | 125.7 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | trans | -140.5 | 88.3 | 157.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 40 | E | 51.9 | Low | 46.6 | Very low | 170 Ų | 170 | 126 Ų | 126 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | -41.3 | 127.3 | 156.6 | 50.3 | -155.1 | 64.4 | 0 | 0 | 114.4 | ||||
| 41 | T | 38 | Very low | 46 | Very low | 146 Ų | 146 | 129.1 Ų | 129.1 | 90% | 0.896 | 80% | 0.801 | S | S | * | * | trans | -140.6 | 133.6 | 146.2 | 40.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 42 | L | 47 | Very low | 45.4 | Very low | 159 Ų | 159 | 134.5 Ų | 134.5 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | trans | -76.8 | 171 | -169.3 | -87 | 158.7 | 0 | 0 | 0 | 115.1 | ||||
| 43 | Q | 40.4 | Very low | 44.6 | Very low | 188 Ų | 188 | 131.4 Ų | 131.4 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | trans | 83.9 | 137 | 161.3 | -64 | 161.4 | 31.9 | 0 | 0 | 115.7 | ||||
| 44 | G | 32.6 | Very low | 44.4 | Very low | 73 Ų | 73 | 132.8 Ų | 132.8 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | cis | 177.3 | 142.5 | 6.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 45 | A | 34.6 | Very low | 44 | Very low | 103 Ų | 103 | 134.3 Ų | 134.3 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | 159.2 | 123.7 | 119.5 | 0 | 0 | 0 | 0 | 0 | 103.6 | |||||
| 46 | G | 40.8 | Very low | 43.5 | Very low | 67 Ų | 67 | 137.8 Ų | 137.8 | 69% | 0.691 | 80% | 0.802 | S | S | * | * | 78 | 108 | 83.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 47 | T | 37 | Very low | 43.4 | Very low | 133 Ų | 133 | 135 Ų | 135 | 82% | 0.816 | 79% | 0.794 | S | S | * | * | trans | 148.6 | 94.4 | 146 | 48.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 48 | D | 45.2 | Very low | 43.3 | Very low | 158 Ų | 158 | 131.1 Ų | 131.1 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | -27.1 | 133.5 | 130 | 40.4 | -72.1 | 0 | 0 | 0 | 113 | |||||
| 49 | G | 38.3 | Very low | 43.1 | Very low | 75 Ų | 75 | 128.9 Ų | 128.9 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | 172.9 | 86.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 50 | D | 48.8 | Very low | 43.5 | Very low | 144 Ų | 144 | 132.4 Ų | 132.4 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | trans | -50.6 | 172.6 | 150.6 | -173.9 | -106.6 | 0 | 0 | 0 | 110.8 | ||||
| 51 | Q | 51.1 | Low | 42.9 | Very low | 167 Ų | 167 | 129.7 Ų | 129.7 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | trans | 78.2 | 102.7 | 162.2 | 37.6 | -172.4 | 15.3 | 0 | 0 | 119.7 | ||||
| 52 | N | 46.5 | Very low | 43.4 | Very low | 168 Ų | 168 | 126.6 Ų | 126.6 | 90% | 0.898 | 77% | 0.765 | S | S | * | * | 43.1 | 121 | 121.1 | -156.8 | -91.8 | 0 | 0 | 0 | 118.7 | |||||
| 53 | G | 41.5 | Very low | 43.6 | Very low | 58 Ų | 58 | 127 Ų | 127 | 60% | 0.598 | 77% | 0.767 | S | S | * | * | trans | 138.8 | 105.1 | 143 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 54 | L | 52.2 | Low | 43.9 | Very low | 177 Ų | 177 | 123 Ų | 123 | 93% | 0.927 | 75% | 0.752 | S | S | * | * | trans | 87 | 129.5 | 130.4 | -68.2 | 155.8 | 0 | 0 | 0 | 121.3 | ||||
| 55 | D | 40.9 | Very low | 45 | Very low | 149 Ų | 149 | 128.1 Ų | 128.1 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | 85.8 | 73.6 | 154 | -139.4 | -115.3 | 0 | 0 | 0 | 117.7 | ||||
| 56 | H | 42 | Very low | 46.3 | Very low | 143 Ų | 143 | 129 Ų | 129 | 66% | 0.662 | 75% | 0.747 | S | S | * | * | trans | -88.8 | 137.8 | 147.9 | 73.8 | -134.5 | 0 | 0 | 0 | 108.6 | S58 | H56-S58 PolarHBondContact O-N 3.11Š| ||
| 57 | P | 41 | Very low | 46.8 | Very low | 110 Ų | 110 | 130.2 Ų | 130.2 | 71% | 0.714 | 75% | 0.745 | S | S | * | * | trans | -62.8 | 121.7 | 166.2 | 24.7 | -30.6 | 0 | 0 | 0 | 108.6 | V59 | P57-V59 PolarHBondContact O-N 3.31Š| ||
| 58 | S | 50.1 | Low | 47.7 | Very low | 104 Ų | 104 | 126.4 Ų | 126.4 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | trans | -54.3 | 98.4 | -177.2 | -59.5 | 0 | 0 | 0 | 0 | 112.3 | H56 | H56-S58 PolarHBondContact O-N 3.11Š| ||
| 59 | V | 45.3 | Very low | 48 | Very low | 115 Ų | 115 | 127.8 Ų | 127.8 | 70% | 0.697 | 74% | 0.735 | S | S | * | * | trans | -116.8 | 96.6 | 145 | -93.1 | 0 | 0 | 0 | 0 | 105.5 | P57 V61 | P57-V59 PolarHBondContact O-N 3.31Å; V59-V61 PolarHBondContact O-N 3.45Å | ||
| 60 | E | 47.5 | Very low | 48.7 | Very low | 173 Ų | 173 | 128.7 Ų | 128.7 | 81% | 0.808 | 72% | 0.722 | S | S | * | * | trans | -58.1 | 79.9 | 162.3 | 51.9 | -166.9 | 79.2 | 0 | 0 | 109.3 | S62 | E60-S62 PolarHBondContact O-N 3.26Š| ||
| 61 | V | 41.1 | Very low | 48.7 | Very low | 114 Ų | 114 | 129 Ų | 129 | 69% | 0.691 | 73% | 0.728 | S | S | * | * | trans | -73.4 | 88.5 | 160 | -179.4 | 0 | 0 | 0 | 0 | 104.9 | V59 L63 | V59-V61 PolarHBondContact O-N 3.45Å; V61-L63 PolarHBondContact O-N 3.26Å | ||
| 62 | S | 46.9 | Very low | 49 | Very low | 80 Ų | 80 | 125.6 Ų | 125.6 | 56% | 0.559 | 72% | 0.716 | S | S | * | * | trans | -44 | 116.7 | 155.8 | -81.1 | 0 | 0 | 0 | 0 | 106.3 | E60 D64 | E60-S62 PolarHBondContact O-N 3.26Å; S62-D64 WeakPolarHBondContact CB-OD1 3.45Å; S62-D64 PolarHBondContact O-N 3.32Å | ||
| 63 | L | 51.5 | Low | 49.7 | Very low | 167 Ų | 167 | 120.3 Ų | 120.3 | 87% | 0.874 | 70% | 0.701 | S | S | * | * | trans | -72 | 53.9 | 167.5 | -68.7 | 164.7 | 0 | 0 | 0 | 108.2 | V61 E65 | V61-L63 PolarHBondContact O-N 3.26Å; L63-E65 PolarHBondContact O-N 2.92Å; L63-E65 VanDerWaalsContact O-N 3.17Å | ||
| 64 | D | 46.8 | Very low | 50.8 | Low | 106 Ų | 106 | 120.1 Ų | 120.1 | 57% | 0.567 | 68% | 0.684 | S | S | * | * | trans | -75.6 | 86.1 | 146.6 | 71.8 | -84 | 0 | 0 | 0 | 105.7 | S62 N66 | S62-D64 WeakPolarHBondContact CB-OD1 3.45Å; S62-D64 PolarHBondContact O-N 3.32Å; D64-N66 HydrophobicContact CB-CB 3.94Å; D64-N66 PolarHBondContact O-N 3.16Å | ||
| 65 | E | 55.2 | Low | 51.4 | Low | 180 Ų | 180 | 116.4 Ų | 116.4 | 84% | 0.841 | 66% | 0.662 | S | S | * | * | trans | -70.5 | 49 | 154.8 | -168.5 | 158 | 63.2 | 0 | 0 | 109.1 | L63 S67 | L63-E65 PolarHBondContact O-N 2.92Å; L63-E65 VanDerWaalsContact O-N 3.17Å; E65-S67 PolarHBondContact O-N 3.37Å; E65-S67 VanDerWaalsContact O-N 3.12Å | ||
| 66 | N | 62.8 | Low | 52.6 | Low | 122 Ų | 122 | 118.2 Ų | 118.2 | 65% | 0.652 | 66% | 0.657 | S | S | * | * | trans | -81.1 | 58.1 | 164.3 | 174.7 | 57.2 | 0 | 0 | 0 | 107.3 | D64 G68 | D64-N66 HydrophobicContact CB-CB 3.94Å; D64-N66 PolarHBondContact O-N 3.16Å; N66-G68 PolarHBondContact O-N 3.47Å; N66-G68 VanDerWaalsContact O-N 3.09Å | ||
| 67 | S | 52 | Low | 53.7 | Low | 92 Ų | 92 | 114.3 Ų | 114.3 | 64% | 0.643 | 64% | 0.644 | S | S | * | * | trans | -75.7 | 90.8 | 157.2 | -60.4 | 0 | 0 | 0 | 0 | 105.9 | E65 | E65-S67 PolarHBondContact O-N 3.37Å; E65-S67 VanDerWaalsContact O-N 3.12Å | ||
| 68 | G | 54 | Low | 54.6 | Low | 52 Ų | 52 | 119.3 Ų | 119.3 | 54% | 0.536 | 66% | 0.655 | S | S | . | * | S | Bend | trans | -50.7 | 159.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | N66 | N66-G68 PolarHBondContact O-N 3.47Å; N66-G68 VanDerWaalsContact O-N 3.09Å |
| 69 | M | 51.7 | Low | 55.7 | Low | 187 Ų | 187 | 119.6 Ų | 119.6 | 92% | 0.921 | 65% | 0.648 | S | S | * | * | trans | 100.9 | 37.7 | 176.4 | -52.6 | -70.8 | -173.6 | 0 | 0 | 117.5 | ||||
| 70 | L | 54 | Low | 57.1 | Low | 94 Ų | 94 | 116.2 Ų | 116.2 | 49% | 0.492 | 64% | 0.637 | S | S | . | * | trans | -129.5 | 80.5 | 158.3 | 26.9 | 171.6 | 0 | 0 | 0 | 109.1 | D72 F74 T94 I98 | L70-D72 PolarHBondContact O-N 3.23Å; L70-F74 HydrophobicContact CB-CE2 4.42Å; L70-F74 HydrophobicContact CD1-CE2 4.15Å; L70-T94 HydrophobicContact CD1-CG2 3.76Å; L70-I98 HydrophobicContact CD1-CD1 4.33Å | ||
| 71 | V | 47.9 | Very low | 58.9 | Low | 150 Ų | 150 | 111.3 Ų | 111.3 | 91% | 0.909 | 61% | 0.612 | S | S | * | * | trans | -65.2 | 79.1 | 162.4 | -176.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 72 | D | 58.3 | Low | 61 | Low | 97 Ų | 97 | 106.3 Ų | 106.3 | 52% | 0.519 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -169.5 | 133.4 | 140.7 | -162.7 | 33.6 | 0 | 0 | 0 | 109.7 | L70 F74 | L70-D72 PolarHBondContact O-N 3.23Å; D72-F74 VanDerWaalsContact C-N 3.33Å; D72-F74 WeakPolarHBondContact O-CD2 3.46Å; D72-F74 PolarHBondContact O-N 3.22Å |
| 73 | G | 60.3 | Low | 63 | Low | 57 Ų | 57 | 106.2 Ų | 106.2 | 59% | 0.588 | 57% | 0.571 | S | S | * | * | trans | -64.5 | 86.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | E75 | G73-E75 PolarHBondContact O-N 2.92Š| ||
| 74 | F | 64.6 | Low | 64.8 | Low | 54 Ų | 54 | 98.5 Ų | 98.5 | 24% | 0.237 | 53% | 0.531 | C | S | . | . | trans | -65 | 118.5 | 169.3 | -62.2 | -60.2 | 0 | 0 | 0 | 109.4 | L70 D72 R76 L82 L97 I98 I101 | L70-F74 HydrophobicContact CB-CE2 4.42Å; L70-F74 HydrophobicContact CD1-CE2 4.15Å; D72-F74 VanDerWaalsContact C-N 3.33Å; D72-F74 WeakPolarHBondContact O-CD2 3.46Å; D72-F74 PolarHBondContact O-N 3.22Å; F74-R76 PolarHBondContact O-N 3.23Å; F74-L82 HydrophobicContact CB-CD2 4.13Å; F74-L97 HydrophobicContact CB-CD2 4.47Å; F74-L97 HydrophobicContact CD1-CD2 3.71Å; F74-L97 HydrophobicContact CE1-CD2 4.27Å; F74-L97 HydrophobicContact CG-CD2 4.15Å; F74-I98 HydrophobicContact CE2-CG1 4.47Å; F74-I98 HydrophobicContact CZ-CG1 4.25Å; F74-I101 HydrophobicContact CD1-CD1 4.04Å; F74-I101 HydrophobicContact CE1-CD1 3.32Å; F74-I101 HydrophobicContact CZ-CD1 4.22Å | ||
| 75 | E | 66.1 | Low | 66.6 | Low | 99 Ų | 99 | 100.1 Ų | 100.1 | 46% | 0.463 | 53% | 0.529 | S | S | . | . | trans | -66.9 | 106.9 | 174.8 | -77.5 | 173.7 | 159.5 | 0 | 0 | 109.3 | G73 T77 K83 R85 | G73-E75 PolarHBondContact O-N 2.92Å; E75-T77 PolarHBondContact O-N 3.37Å; E75-K83 PolarHBondContact O-N 2.88Å; E75-R85 VanDerWaalsContact CG-NH2 3.3Å; E75-R85 IonicContact OE1-CZ 2.92Å; E75-R85 VanDerWaalsContact OE1-CZ 3.25Å; E75-R85 IonicContact OE1-NH1 2.96Å; E75-R85 PolarHBondContact OE1-NH1 3.15Å; E75-R85 IonicContact OE1-NH2 2.75Å; E75-R85 PolarHBondContact OE1-NH2 3.4Å; E75-R85 IonicContact OE2-CZ 3.3Å; E75-R85 IonicContact OE2-NE 3.25Å; E75-R85 IonicContact OE2-NH1 4Å; E75-R85 PolarHBondContact OE2-NH1 3.07Å; E75-R85 IonicContact OE2-NH2 3.88Å; E75-R85 PolarHBondContact OE2-NH2 3.23Å | ||
| 76 | R | 65.5 | Low | 68.2 | Low | 186 Ų | 186 | 97.9 Ų | 97.9 | 70% | 0.702 | 51% | 0.514 | S | S | * | . | B | Isolated β-bridge | trans | -76.9 | 115.3 | 170.7 | -166.6 | 171.9 | -82.4 | 137.2 | -7.6 | 107.7 | F74 L82 | F74-R76 PolarHBondContact O-N 3.23Å; R76-L82 HydrophobicContact CB-CD2 4.32Å; R76-L82 HydrophobicContact CG-CD2 4.41Å |
| 77 | T | 64.9 | Low | 69.6 | Low | 62 Ų | 62 | 94 Ų | 94 | 38% | 0.38 | 50% | 0.497 | S | S | . | . | trans | -71.8 | 156 | 175 | -52.2 | 0 | 0 | 0 | 0 | 109 | E75 D79 G80 K81 | E75-T77 PolarHBondContact O-N 3.37Å; T77-D79 HydrophobicContact CG2-CB 4.38Å; T77-D79 PolarHBondContact O-N 3.5Å; T77-G80 PolarHBondContact O-N 3.33Å; T77-K81 PolarHBondContact N-O 3.39Å | ||
| 78 | F | 60.2 | Low | 71.4 | Confident | 215 Ų | 215 | 96.7 Ų | 96.7 | 94% | 0.943 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -25.4 | 177.5 | -167.7 | -100.7 | 0 | 0 | 0 | 113.4 | G80 | F78-G80 PolarHBondContact O-N 3.18Š|
| 79 | D | 72.3 | Confident | 73.1 | Confident | 110 Ų | 110 | 98.8 Ų | 98.8 | 59% | 0.588 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -3.1 | 171.9 | -109.5 | -114.1 | 0 | 0 | 0 | 115.2 | T77 K81 | T77-D79 HydrophobicContact CG2-CB 4.38Å; T77-D79 PolarHBondContact O-N 3.5Å; D79-K81 HydrophobicContact CB-CD 4.13Å; D79-K81 HydrophobicContact CB-CG 4.31Å; D79-K81 PolarHBondContact O-N 3.2Å; D79-K81 WeakPolarHBondContact OD1-CE 3.49Å; D79-K81 IonicContact OD1-NZ 2.82Å; D79-K81 PolarHBondContact OD1-NZ 2.83Å |
| 80 | G | 75.6 | Confident | 74.9 | Confident | 44 Ų | 44 | 92.1 Ų | 92.1 | 45% | 0.454 | 47% | 0.47 | S | S | . | . | S | Bend | trans | 74.8 | 2.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | T77 F78 | T77-G80 PolarHBondContact O-N 3.33Å; F78-G80 PolarHBondContact O-N 3.18Å |
| 81 | K | 84.3 | Confident | 76.4 | Confident | 69 Ų | 69 | 88.3 Ų | 88.3 | 30% | 0.3 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -85 | 143.9 | 178.3 | -63.9 | 165.5 | -174.2 | 150.2 | 0 | 110.7 | T77 D79 A90 K92 | T77-K81 PolarHBondContact N-O 3.39Å; D79-K81 HydrophobicContact CB-CD 4.13Å; D79-K81 HydrophobicContact CB-CG 4.31Å; D79-K81 PolarHBondContact O-N 3.2Å; D79-K81 WeakPolarHBondContact OD1-CE 3.49Å; D79-K81 IonicContact OD1-NZ 2.82Å; D79-K81 PolarHBondContact OD1-NZ 2.83Å; K81-A90 HydrophobicContact CB-CB 4.34Å; K81-K92 HydrophobicContact CG-CG 3.96Å |
| 82 | L | 85.9 | Confident | 78.2 | Confident | 10 Ų | 10 | 89.6 Ų | 89.6 | 5% | 0.052 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 125.3 | 173.1 | -58 | 170.9 | 0 | 0 | 0 | 109 | F74 R76 A90 S91 T94 L97 | F74-L82 HydrophobicContact CB-CD2 4.13Å; R76-L82 HydrophobicContact CB-CD2 4.32Å; R76-L82 HydrophobicContact CG-CD2 4.41Å; L82-A90 CarbonylContact O-C 3.59Å; L82-A90 WeakPolarHBondContact O-CA 3.44Å; L82-S91 PolarHBondContact N-O 3.12Å; L82-S91 PolarHBondContact O-N 3.29Å; L82-T94 HydrophobicContact CD1-CG2 4.07Å; L82-T94 VanDerWaalsContact CD1-OG1 3.3Å; L82-T94 WeakPolarHBondContact CD1-OG1 3.49Å; L82-L97 HydrophobicContact CB-CB 4.49Å; L82-L97 HydrophobicContact CB-CD2 3.37Å; L82-L97 HydrophobicContact CB-CG 4.5Å |
| 83 | K | 88.3 | Confident | 79.4 | Confident | 78 Ų | 78 | 86.4 Ų | 86.4 | 34% | 0.339 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 142.3 | -176.5 | -167 | -174.1 | 170.5 | -171.5 | 0 | 111.1 | E75 A90 | E75-K83 PolarHBondContact O-N 2.88Å; K83-A90 HydrophobicContact CG-CB 4.49Å |
| 84 | C | 89.3 | Confident | 80.6 | Confident | 4 Ų | 4 | 86.3 Ų | 86.3 | 3% | 0.027 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 141.3 | 169.9 | -174.8 | 0 | 0 | 0 | 0 | 110.4 | Y86 Y89 L97 H100 | C84-Y86 PolarHBondContact SG-N 2.91Å; C84-Y86 VanDerWaalsContact SG-N 3.39Å; C84-Y89 PolarHBondContact N-O 3.33Å; C84-L97 HydrophobicContact CB-CD1 3.91Å; C84-H100 PolarHBondContact SG-CD2 2.82Å; C84-H100 PolarHBondContact SG-NE2 3.04Å |
| 85 | R | 86.3 | Confident | 81.6 | Confident | 141 Ų | 141 | 87.3 Ų | 87.3 | 53% | 0.532 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -77.3 | -29.3 | 175.5 | -175.3 | 62.1 | 69.2 | 167.6 | 5.8 | 112.6 | E75 | E75-R85 VanDerWaalsContact CG-NH2 3.3Å; E75-R85 IonicContact OE1-CZ 2.92Å; E75-R85 VanDerWaalsContact OE1-CZ 3.25Å; E75-R85 IonicContact OE1-NH1 2.96Å; E75-R85 PolarHBondContact OE1-NH1 3.15Å; E75-R85 IonicContact OE1-NH2 2.75Å; E75-R85 PolarHBondContact OE1-NH2 3.4Å; E75-R85 IonicContact OE2-CZ 3.3Å; E75-R85 IonicContact OE2-NE 3.25Å; E75-R85 IonicContact OE2-NH1 4Å; E75-R85 PolarHBondContact OE2-NH1 3.07Å; E75-R85 IonicContact OE2-NH2 3.88Å; E75-R85 PolarHBondContact OE2-NH2 3.23Å |
| 86 | Y | 88.3 | Confident | 82.6 | Confident | 132 Ų | 132 | 90.6 Ų | 90.6 | 52% | 0.518 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -89.5 | -16.6 | -172.8 | -56.2 | -77.9 | 0 | 0 | 0 | 113.4 | C84 I101 H104 | C84-Y86 PolarHBondContact SG-N 2.91Å; C84-Y86 VanDerWaalsContact SG-N 3.39Å; Y86-I101 HydrophobicContact CD2-CG2 4.3Å; Y86-I101 HydrophobicContact CE2-CG2 3.84Å; Y86-H104 VanDerWaalsContact CB-CG 3.45Å; Y86-H104 WeakPolarHBondContact CB-ND1 3.5Å; Y86-H104 HydrophobicContact CD1-CB 4.37Å; Y86-H104 HydrophobicContact CD2-CB 3.73Å; Y86-H104 HydrophobicContact CE2-CB 4.35Å; Y86-H104 HydrophobicContact CG-CB 3.75Å; Y86-H104 AromaticContact CG-CG 3.83Å |
| 87 | C | 91.2 | Very high | 83.7 | Confident | 42 Ų | 42 | 81.8 Ų | 81.8 | 28% | 0.284 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -154.7 | 178.4 | 178 | 71.9 | 0 | 0 | 0 | 0 | 112.3 | Y89 H100 | C87-Y89 PolarHBondContact O-N 3.42Å; C87-Y89 WeakPolarHBondContact SG-CB 3.43Å; C87-H100 VanDerWaalsContact SG-CE1 3.56Å; C87-H100 PolarHBondContact SG-NE2 2.82Å |
| 88 | N | 89.6 | Confident | 84.8 | Confident | 147 Ų | 147 | 81.5 Ų | 81.5 | 79% | 0.786 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -78.6 | 10.6 | 179.9 | -72 | 75.7 | 0 | 0 | 0 | 114.7 | ||
| 89 | Y | 90 | Very high | 86.2 | Confident | 97 Ų | 97 | 76.9 Ų | 76.9 | 38% | 0.38 | 39% | 0.393 | S | S | . | . | trans | -67.2 | 137.2 | 177 | -177.9 | -105 | 0 | 0 | 0 | 111.5 | C84 C87 L97 H100 | C84-Y89 PolarHBondContact N-O 3.33Å; C87-Y89 PolarHBondContact O-N 3.42Å; C87-Y89 WeakPolarHBondContact SG-CB 3.43Å; Y89-L97 HydrophobicContact CD1-CD1 4.15Å; Y89-L97 HydrophobicContact CE1-CD1 4.45Å; Y89-H100 WeakPolarHBondContact CB-NE2 3.34Å; Y89-H100 HydrophobicContact CD1-CB 3.99Å; Y89-H100 AromaticContact CD1-CD2 3.43Å; Y89-H100 VanDerWaalsContact CD1-CD2 3.43Å; Y89-H100 WeakPolarHBondContact CD1-CD2 3.5Å; Y89-H100 AromaticContact CD1-CE1 3.79Å; Y89-H100 AromaticContact CD1-CG 3.37Å; Y89-H100 AromaticContact CD1-ND1 3.61Å; Y89-H100 AromaticContact CD1-NE2 3.68Å; Y89-H100 HydrophobicContact CE1-CB 3.74Å; Y89-H100 AromaticContact CE1-CG 3.62Å; Y89-H100 AromaticContact CE1-ND1 3.94Å; Y89-H100 AromaticContact CG-CE1 3.68Å; Y89-H100 AromaticContact CG-ND1 3.83Å; Y89-H100 AromaticContact CG-NE2 3.8Å | ||
| 90 | A | 90.4 | Very high | 87.2 | Confident | 46 Ų | 46 | 73.3 Ų | 73.3 | 38% | 0.38 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 135 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | K81 L82 K83 | K81-A90 HydrophobicContact CB-CB 4.34Å; L82-A90 CarbonylContact O-C 3.59Å; L82-A90 WeakPolarHBondContact O-CA 3.44Å; K83-A90 HydrophobicContact CG-CB 4.49Å |
| 91 | S | 85.3 | Confident | 87.9 | Confident | 15 Ų | 15 | 72.4 Ų | 72.4 | 11% | 0.105 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 147 | -177.4 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | L82 G93 R96 | L82-S91 PolarHBondContact N-O 3.12Å; L82-S91 PolarHBondContact O-N 3.29Å; S91-G93 VanDerWaalsContact C-N 3.27Å; S91-G93 PolarHBondContact OG-N 3.11Å; S91-G93 VanDerWaalsContact OG-N 3.11Å; S91-G93 PolarHBondContact OG-O 3.05Å; S91-G93 VanDerWaalsContact OG-O 3.12Å; S91-R96 WeakPolarHBondContact OG-CB 3.42Å |
| 92 | K | 85.8 | Confident | 88.2 | Confident | 177 Ų | 177 | 76.8 Ų | 76.8 | 77% | 0.77 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -75.9 | -15.7 | 173.1 | -71 | -178.3 | 176.5 | 179 | 0 | 113.1 | K81 | K81-K92 HydrophobicContact CG-CG 3.96Š|
| 93 | G | 84.2 | Confident | 88.5 | Confident | 29 Ų | 29 | 82.2 Ų | 82.2 | 30% | 0.299 | 40% | 0.399 | S | S | . | . | trans | -116.9 | 133.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S91 R96 L97 | S91-G93 VanDerWaalsContact C-N 3.27Å; S91-G93 PolarHBondContact OG-N 3.11Å; S91-G93 VanDerWaalsContact OG-N 3.11Å; S91-G93 PolarHBondContact OG-O 3.05Å; S91-G93 VanDerWaalsContact OG-O 3.12Å; G93-R96 PolarHBondContact O-N 2.96Å; G93-L97 PolarHBondContact O-N 3.3Å; G93-L97 VanDerWaalsContact O-N 3.15Å | ||
| 94 | T | 83.7 | Confident | 88.5 | Confident | 56 Ų | 56 | 81.7 Ų | 81.7 | 34% | 0.344 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.7 | -45.6 | 177.6 | -43.4 | 0 | 0 | 0 | 0 | 111.8 | L70 L82 R96 L97 I98 | L70-T94 HydrophobicContact CD1-CG2 3.76Å; L82-T94 HydrophobicContact CD1-CG2 4.07Å; L82-T94 VanDerWaalsContact CD1-OG1 3.3Å; L82-T94 WeakPolarHBondContact CD1-OG1 3.49Å; T94-R96 VanDerWaalsContact C-N 3.29Å; T94-R96 PolarHBondContact O-N 2.82Å; T94-L97 PolarHBondContact O-N 2.92Å; T94-I98 HydrophobicContact CG2-CD1 3.91Å; T94-I98 HydrophobicContact CG2-CG1 4.39Å; T94-I98 WeakPolarHBondContact O-CG1 3.5Å; T94-I98 PolarHBondContact O-N 3.22Å |
| 95 | A | 86.1 | Confident | 88.3 | Confident | 75 Ų | 75 | 85.3 Ų | 85.3 | 62% | 0.62 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -57 | -42.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | L97 I98 E99 | A95-L97 VanDerWaalsContact C-N 3.34Å; A95-I98 PolarHBondContact O-N 2.93Å; A95-E99 WeakPolarHBondContact O-CB 3.33Å; A95-E99 PolarHBondContact O-N 3.37Å |
| 96 | R | 87.4 | Confident | 87.6 | Confident | 168 Ų | 168 | 84.6 Ų | 84.6 | 63% | 0.634 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -69.7 | -31.6 | 178.4 | -65.3 | -66.2 | 167.7 | 126.1 | -2.4 | 112.6 | S91 G93 T94 H100 | S91-R96 WeakPolarHBondContact OG-CB 3.42Å; G93-R96 PolarHBondContact O-N 2.96Å; T94-R96 VanDerWaalsContact C-N 3.29Å; T94-R96 PolarHBondContact O-N 2.82Å; R96-H100 WeakPolarHBondContact O-CB 3.47Å; R96-H100 PolarHBondContact O-N 2.75Å |
| 97 | L | 88.3 | Confident | 85.9 | Confident | 0 Ų | 0 | 85.3 Ų | 85.3 | 0% | 0 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -74 | -41.4 | 174.8 | -176.7 | 63.2 | 0 | 0 | 0 | 111.7 | F74 L82 C84 Y89 G93 T94 A95 H100 I101 | F74-L97 HydrophobicContact CB-CD2 4.47Å; F74-L97 HydrophobicContact CD1-CD2 3.71Å; F74-L97 HydrophobicContact CE1-CD2 4.27Å; F74-L97 HydrophobicContact CG-CD2 4.15Å; L82-L97 HydrophobicContact CB-CB 4.49Å; L82-L97 HydrophobicContact CB-CD2 3.37Å; L82-L97 HydrophobicContact CB-CG 4.5Å; C84-L97 HydrophobicContact CB-CD1 3.91Å; Y89-L97 HydrophobicContact CD1-CD1 4.15Å; Y89-L97 HydrophobicContact CE1-CD1 4.45Å; G93-L97 PolarHBondContact O-N 3.3Å; G93-L97 VanDerWaalsContact O-N 3.15Å; T94-L97 PolarHBondContact O-N 2.92Å; A95-L97 VanDerWaalsContact C-N 3.34Å; L97-H100 WeakPolarHBondContact O-CB 3.47Å; L97-H100 PolarHBondContact O-N 2.82Å; L97-I101 HydrophobicContact CD1-CD1 4.19Å; L97-I101 HydrophobicContact CD1-CG1 4.35Å; L97-I101 HydrophobicContact CD2-CD1 4.4Å; L97-I101 HydrophobicContact CG-CD1 3.88Å; L97-I101 HydrophobicContact CG-CG1 4.44Å; L97-I101 WeakPolarHBondContact O-CG1 3.34Å; L97-I101 PolarHBondContact O-N 2.91Å |
| 98 | I | 88.3 | Confident | 85.6 | Confident | 57 Ų | 57 | 87.5 Ų | 87.5 | 29% | 0.292 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61 | -47.7 | 177.6 | -67.7 | 165.7 | 0 | 0 | 0 | 110.6 | L70 F74 T94 A95 H100 I101 R102 | L70-I98 HydrophobicContact CD1-CD1 4.33Å; F74-I98 HydrophobicContact CE2-CG1 4.47Å; F74-I98 HydrophobicContact CZ-CG1 4.25Å; T94-I98 HydrophobicContact CG2-CD1 3.91Å; T94-I98 HydrophobicContact CG2-CG1 4.39Å; T94-I98 WeakPolarHBondContact O-CG1 3.5Å; T94-I98 PolarHBondContact O-N 3.22Å; A95-I98 PolarHBondContact O-N 2.93Å; I98-H100 VanDerWaalsContact C-N 3.29Å; I98-H100 PolarHBondContact O-N 3.28Å; I98-I101 PolarHBondContact O-N 2.79Å; I98-R102 WeakPolarHBondContact O-CG 3.34Å; I98-R102 PolarHBondContact O-N 3.09Å |
| 99 | E | 90.8 | Very high | 85.4 | Confident | 118 Ų | 118 | 84.4 Ų | 84.4 | 55% | 0.551 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -57.4 | -44.1 | 175.6 | -178.9 | 177.2 | -156.2 | 0 | 0 | 111.6 | A95 I101 R102 | A95-E99 WeakPolarHBondContact O-CB 3.33Å; A95-E99 PolarHBondContact O-N 3.37Å; E99-I101 PolarHBondContact O-N 3.12Å; E99-R102 WeakPolarHBondContact O-CB 3.45Å; E99-R102 PolarHBondContact O-N 3.4Å |
| 100 | H | 92.1 | Very high | 85.1 | Confident | 34 Ų | 34 | 83.7 Ų | 83.7 | 16% | 0.157 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -62.5 | -41.8 | 177.6 | 171 | 81.4 | 0 | 0 | 0 | 112.6 | C84 C87 Y89 R96 L97 I98 R102 I103 H104 | C84-H100 PolarHBondContact SG-CD2 2.82Å; C84-H100 PolarHBondContact SG-NE2 3.04Å; C87-H100 VanDerWaalsContact SG-CE1 3.56Å; C87-H100 PolarHBondContact SG-NE2 2.82Å; Y89-H100 WeakPolarHBondContact CB-NE2 3.34Å; Y89-H100 HydrophobicContact CD1-CB 3.99Å; Y89-H100 AromaticContact CD1-CD2 3.43Å; Y89-H100 VanDerWaalsContact CD1-CD2 3.43Å; Y89-H100 WeakPolarHBondContact CD1-CD2 3.5Å; Y89-H100 AromaticContact CD1-CE1 3.79Å; Y89-H100 AromaticContact CD1-CG 3.37Å; Y89-H100 AromaticContact CD1-ND1 3.61Å; Y89-H100 AromaticContact CD1-NE2 3.68Å; Y89-H100 HydrophobicContact CE1-CB 3.74Å; Y89-H100 AromaticContact CE1-CG 3.62Å; Y89-H100 AromaticContact CE1-ND1 3.94Å; Y89-H100 AromaticContact CG-CE1 3.68Å; Y89-H100 AromaticContact CG-ND1 3.83Å; Y89-H100 AromaticContact CG-NE2 3.8Å; R96-H100 WeakPolarHBondContact O-CB 3.47Å; R96-H100 PolarHBondContact O-N 2.75Å; L97-H100 WeakPolarHBondContact O-CB 3.47Å; L97-H100 PolarHBondContact O-N 2.82Å; I98-H100 VanDerWaalsContact C-N 3.29Å; I98-H100 PolarHBondContact O-N 3.28Å; H100-R102 VanDerWaalsContact C-N 3.28Å; H100-R102 PolarHBondContact O-N 3.01Å; H100-I103 WeakPolarHBondContact O-CB 3.5Å; H100-I103 PolarHBondContact O-N 3.23Å; H100-H104 AromaticContact CE1-NE2 3.88Å; H100-H104 AromaticContact NE2-CD2 3.8Å; H100-H104 AromaticContact NE2-NE2 3.5Å |
| 101 | I | 90 | Very high | 84.8 | Confident | 25 Ų | 25 | 85.9 Ų | 85.9 | 13% | 0.128 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -65.7 | -31.8 | -179.8 | -72.3 | 169.9 | 0 | 0 | 0 | 112 | F74 Y86 L97 I98 E99 I103 H104 T105 | F74-I101 HydrophobicContact CD1-CD1 4.04Å; F74-I101 HydrophobicContact CE1-CD1 3.32Å; F74-I101 HydrophobicContact CZ-CD1 4.22Å; Y86-I101 HydrophobicContact CD2-CG2 4.3Å; Y86-I101 HydrophobicContact CE2-CG2 3.84Å; L97-I101 HydrophobicContact CD1-CD1 4.19Å; L97-I101 HydrophobicContact CD1-CG1 4.35Å; L97-I101 HydrophobicContact CD2-CD1 4.4Å; L97-I101 HydrophobicContact CG-CD1 3.88Å; L97-I101 HydrophobicContact CG-CG1 4.44Å; L97-I101 WeakPolarHBondContact O-CG1 3.34Å; L97-I101 PolarHBondContact O-N 2.91Å; I98-I101 PolarHBondContact O-N 2.79Å; E99-I101 PolarHBondContact O-N 3.12Å; I101-I103 PolarHBondContact O-N 3.17Å; I101-I103 VanDerWaalsContact O-N 3.16Å; I101-H104 WeakPolarHBondContact O-CB 3.3Å; I101-H104 PolarHBondContact O-N 3.03Å; I101-T105 HydrophobicContact CG2-CG2 4.26Å; I101-T105 PolarHBondContact O-N 2.91Å |
| 102 | R | 91.4 | Very high | 84.8 | Confident | 162 Ų | 162 | 90.3 Ų | 90.3 | 61% | 0.611 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -57.3 | -31.5 | 176.4 | -70.6 | 174.1 | 178.9 | 172.5 | -1.3 | 112.7 | I98 E99 H100 H104 T105 V106 | I98-R102 WeakPolarHBondContact O-CG 3.34Å; I98-R102 PolarHBondContact O-N 3.09Å; E99-R102 WeakPolarHBondContact O-CB 3.45Å; E99-R102 PolarHBondContact O-N 3.4Å; H100-R102 VanDerWaalsContact C-N 3.28Å; H100-R102 PolarHBondContact O-N 3.01Å; R102-H104 PolarHBondContact O-N 2.8Å; R102-T105 WeakPolarHBondContact CA-OG1 3.35Å; R102-T105 PolarHBondContact O-N 2.78Å; R102-T105 PolarHBondContact O-OG1 3.24Å; R102-V106 WeakPolarHBondContact O-CB 3.45Å; R102-V106 WeakPolarHBondContact O-CG2 3.5Å; R102-V106 PolarHBondContact O-N 2.87Å |
| 103 | I | 91 | Very high | 84.7 | Confident | 123 Ų | 123 | 84.5 Ų | 84.5 | 63% | 0.631 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -63.2 | -34.6 | 176.6 | -55.3 | 169.5 | 0 | 0 | 0 | 110.8 | H100 I101 | H100-I103 WeakPolarHBondContact O-CB 3.5Å; H100-I103 PolarHBondContact O-N 3.23Å; I101-I103 PolarHBondContact O-N 3.17Å; I101-I103 VanDerWaalsContact O-N 3.16Å |
| 104 | H | 89.9 | Confident | 84.8 | Confident | 68 Ų | 68 | 88.5 Ų | 88.5 | 32% | 0.315 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -78.4 | -28.4 | 179.4 | -72.8 | -73.4 | 0 | 0 | 0 | 113.5 | Y86 H100 I101 R102 | Y86-H104 VanDerWaalsContact CB-CG 3.45Å; Y86-H104 WeakPolarHBondContact CB-ND1 3.5Å; Y86-H104 HydrophobicContact CD1-CB 4.37Å; Y86-H104 HydrophobicContact CD2-CB 3.73Å; Y86-H104 HydrophobicContact CE2-CB 4.35Å; Y86-H104 HydrophobicContact CG-CB 3.75Å; Y86-H104 AromaticContact CG-CG 3.83Å; H100-H104 AromaticContact CE1-NE2 3.88Å; H100-H104 AromaticContact NE2-CD2 3.8Å; H100-H104 AromaticContact NE2-NE2 3.5Å; I101-H104 WeakPolarHBondContact O-CB 3.3Å; I101-H104 PolarHBondContact O-N 3.03Å; R102-H104 PolarHBondContact O-N 2.8Å |
| 105 | T | 83.7 | Confident | 84.8 | Confident | 80 Ų | 80 | 91 Ų | 91 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -93.7 | -8.6 | -176.1 | 57.8 | 0 | 0 | 0 | 0 | 114.3 | I101 R102 | I101-T105 HydrophobicContact CG2-CG2 4.26Å; I101-T105 PolarHBondContact O-N 2.91Å; R102-T105 WeakPolarHBondContact CA-OG1 3.35Å; R102-T105 PolarHBondContact O-N 2.78Å; R102-T105 PolarHBondContact O-OG1 3.24Å |
| 106 | V | 72.4 | Confident | 84.7 | Confident | 126 Ų | 126 | 92.3 Ų | 92.3 | 76% | 0.764 | 48% | 0.482 | S | S | * | . | trans | -98.6 | 3.2 | 180 | 178.2 | 0 | 0 | 0 | 0 | 112 | R102 | R102-V106 WeakPolarHBondContact O-CB 3.45Å; R102-V106 WeakPolarHBondContact O-CG2 3.5Å; R102-V106 PolarHBondContact O-N 2.87Å | ||
| 107 | A | 51.7 | Low | 84.5 | Confident | 147 Ų | 147 | 85.5 Ų | 85.5 | 100% | 1.215 | 47% | 0.469 | S | S | * | . | trans | -94.2 | 0 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.2 |
Retrieved 107 of 107 residues in 74.7 ms
(Link to these results)