| 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 | 48.8 | Very low | 61.5 | Low | 245 Ų | 245 | 112.2 Ų | 112.2 | 100% | 1.207 | 63% | 0.632 | S | S | * | * | 0 | 113.4 | 0 | -73.8 | 174.9 | 159.6 | 0 | 0 | 107.5 | T3 | M1-T3 PolarHBondContact O-N 3.19Š| |||
| 2 | A | 54.7 | Low | 62.2 | Low | 99 Ų | 99 | 111.5 Ų | 111.5 | 82% | 0.818 | 62% | 0.622 | S | S | * | * | trans | -84.2 | 109.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | T4 | A2-T4 PolarHBondContact O-N 2.94Å; A2-T4 VanDerWaalsContact O-N 3.09Å | ||
| 3 | T | 58.1 | Low | 62.6 | Low | 139 Ų | 139 | 115 Ų | 115 | 85% | 0.853 | 62% | 0.62 | S | S | * | * | trans | -72.8 | 94.3 | 169.2 | 9.7 | 0 | 0 | 0 | 0 | 108.1 | M1 P5 | M1-T3 PolarHBondContact O-N 3.19Å; T3-P5 WeakPolarHBondContact O-CD 3.41Å | ||
| 4 | T | 59.7 | Low | 63.1 | Low | 90 Ų | 90 | 118.5 Ų | 118.5 | 55% | 0.552 | 62% | 0.62 | S | S | * | * | trans | -60.5 | 121.6 | 164.2 | 44.6 | 0 | 0 | 0 | 0 | 107.7 | A2 V6 | A2-T4 PolarHBondContact O-N 2.94Å; A2-T4 VanDerWaalsContact O-N 3.09Å; T4-V6 PolarHBondContact O-N 2.69Å | ||
| 5 | P | 69.8 | Low | 63.4 | Low | 74 Ų | 74 | 123.5 Ų | 123.5 | 48% | 0.481 | 63% | 0.627 | S | S | . | * | trans | -60.4 | 130.8 | 176.3 | 25.4 | -33.2 | 0 | 0 | 0 | 107.7 | T3 H7 L8 | T3-P5 WeakPolarHBondContact O-CD 3.41Å; P5-H7 PolarHBondContact O-N 3.11Å; P5-L8 HydrophobicContact CG-CB 4.21Å; P5-L8 HydrophobicContact CG-CD1 3.66Å; P5-L8 HydrophobicContact CG-CG 4.05Å; P5-L8 WeakPolarHBondContact O-CB 3.48Å; P5-L8 PolarHBondContact O-N 3.34Å | ||
| 6 | V | 68.4 | Low | 63.4 | Low | 117 Ų | 117 | 127.6 Ų | 127.6 | 71% | 0.709 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -46.9 | -31.2 | -177.6 | 177.7 | 0 | 0 | 0 | 0 | 112.3 | T4 L8 S9 E10 | T4-V6 PolarHBondContact O-N 2.69Å; V6-L8 PolarHBondContact O-N 2.71Å; V6-S9 WeakPolarHBondContact O-CB 3.4Å; V6-S9 PolarHBondContact O-N 3.41Å; V6-E10 PolarHBondContact O-N 3.46Å |
| 7 | H | 62 | Low | 63.4 | Low | 142 Ų | 142 | 122.8 Ų | 122.8 | 66% | 0.657 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -61.1 | -37.2 | 174.9 | -171.1 | -92.2 | 0 | 0 | 0 | 114.5 | P5 F11 | P5-H7 PolarHBondContact O-N 3.11Å; H7-F11 VanDerWaalsContact O-CB 3.32Å; H7-F11 WeakPolarHBondContact O-CB 3.49Å; H7-F11 PolarHBondContact O-N 3.41Å |
| 8 | L | 61.2 | Low | 63.2 | Low | 86 Ų | 86 | 119.8 Ų | 119.8 | 45% | 0.45 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -69 | -39.1 | 174.5 | -88.5 | 169.6 | 0 | 0 | 0 | 111 | P5 V6 F11 M12 | P5-L8 HydrophobicContact CG-CB 4.21Å; P5-L8 HydrophobicContact CG-CD1 3.66Å; P5-L8 HydrophobicContact CG-CG 4.05Å; P5-L8 WeakPolarHBondContact O-CB 3.48Å; P5-L8 PolarHBondContact O-N 3.34Å; V6-L8 PolarHBondContact O-N 2.71Å; L8-F11 PolarHBondContact O-N 3.3Å; L8-M12 WeakPolarHBondContact O-CB 3.42Å; L8-M12 VanDerWaalsContact O-CG 3.3Å; L8-M12 WeakPolarHBondContact O-CG 3.39Å; L8-M12 PolarHBondContact O-N 2.75Å |
| 9 | S | 66.1 | Low | 63.2 | Low | 53 Ų | 53 | 117.8 Ų | 117.8 | 37% | 0.371 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -61.9 | -46.2 | 175.9 | -41.2 | 0 | 0 | 0 | 0 | 111.1 | V6 W13 | V6-S9 WeakPolarHBondContact O-CB 3.4Å; V6-S9 PolarHBondContact O-N 3.41Å; S9-W13 VanDerWaalsContact O-CB 3.32Å; S9-W13 WeakPolarHBondContact O-CB 3.4Å; S9-W13 PolarHBondContact O-N 2.92Å |
| 10 | E | 64.5 | Low | 63.4 | Low | 74 Ų | 74 | 115.4 Ų | 115.4 | 35% | 0.346 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -64.4 | -43.8 | 176.7 | -167.5 | -176.4 | 163.7 | 0 | 0 | 111.9 | V6 W13 R14 | V6-E10 PolarHBondContact O-N 3.46Å; E10-W13 PolarHBondContact O-N 3.35Å; E10-R14 WeakPolarHBondContact O-CG 2.76Å; E10-R14 PolarHBondContact O-N 3.13Å; E10-R14 IonicContact OE1-CZ 3.01Å; E10-R14 IonicContact OE1-NE 2.6Å; E10-R14 PolarHBondContact OE1-NE 3.32Å; E10-R14 IonicContact OE1-NH2 3.05Å; E10-R14 PolarHBondContact OE1-NH2 3.15Å |
| 11 | F | 63.4 | Low | 64 | Low | 115 Ų | 115 | 116.3 Ų | 116.3 | 50% | 0.504 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -63.4 | -46.4 | 178 | 179.6 | -95.9 | 0 | 0 | 0 | 112.4 | H7 L8 W13 R14 R15 | H7-F11 VanDerWaalsContact O-CB 3.32Å; H7-F11 WeakPolarHBondContact O-CB 3.49Å; H7-F11 PolarHBondContact O-N 3.41Å; L8-F11 PolarHBondContact O-N 3.3Å; F11-W13 VanDerWaalsContact C-N 3.3Å; F11-W13 PolarHBondContact O-N 3.12Å; F11-R14 PolarHBondContact O-N 3.48Å; F11-R15 WeakPolarHBondContact O-CB 3.29Å; F11-R15 PolarHBondContact O-N 3.13Å |
| 12 | M | 70.1 | Confident | 65.3 | Low | 104 Ų | 104 | 105.9 Ų | 105.9 | 51% | 0.512 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.9 | -38.4 | 177.6 | -73 | -164.4 | -55.7 | 0 | 0 | 111.6 | L8 R15 R16 | L8-M12 WeakPolarHBondContact O-CB 3.42Å; L8-M12 VanDerWaalsContact O-CG 3.3Å; L8-M12 WeakPolarHBondContact O-CG 3.39Å; L8-M12 PolarHBondContact O-N 2.75Å; M12-R15 PolarHBondContact O-N 3.12Å; M12-R16 WeakPolarHBondContact O-CG 3.45Å; M12-R16 PolarHBondContact O-N 3.43Å |
| 13 | W | 66.9 | Low | 66.2 | Low | 157 Ų | 157 | 105.8 Ų | 105.8 | 60% | 0.595 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.7 | -48.5 | 176.6 | -177.6 | 29.9 | 0 | 0 | 0 | 111.5 | S9 E10 F11 R15 R16 I17 | S9-W13 VanDerWaalsContact O-CB 3.32Å; S9-W13 WeakPolarHBondContact O-CB 3.4Å; S9-W13 PolarHBondContact O-N 2.92Å; E10-W13 PolarHBondContact O-N 3.35Å; F11-W13 VanDerWaalsContact C-N 3.3Å; F11-W13 PolarHBondContact O-N 3.12Å; W13-R15 VanDerWaalsContact C-N 3.29Å; W13-R15 PolarHBondContact O-N 3.12Å; W13-R16 PolarHBondContact O-N 2.95Å; W13-R16 VanDerWaalsContact O-N 3.15Å; W13-I17 VanDerWaalsContact CD1-CD1 3.47Å; W13-I17 HydrophobicContact CD2-CD1 3.97Å; W13-I17 HydrophobicContact CG-CD1 3.95Å; W13-I17 HydrophobicContact CZ2-CD1 4.12Å; W13-I17 VanDerWaalsContact O-CG1 3.3Å; W13-I17 WeakPolarHBondContact O-CG1 3.25Å; W13-I17 PolarHBondContact O-N 3.5Å |
| 14 | R | 69.7 | Low | 67.2 | Low | 164 Ų | 164 | 103.8 Ų | 103.8 | 62% | 0.619 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -58.9 | -40.1 | 174.6 | -71.6 | -179.5 | -174.7 | -132.9 | 5.3 | 112.3 | E10 F11 I17 G18 | E10-R14 WeakPolarHBondContact O-CG 2.76Å; E10-R14 PolarHBondContact O-N 3.13Å; E10-R14 IonicContact OE1-CZ 3.01Å; E10-R14 IonicContact OE1-NE 2.6Å; E10-R14 PolarHBondContact OE1-NE 3.32Å; E10-R14 IonicContact OE1-NH2 3.05Å; E10-R14 PolarHBondContact OE1-NH2 3.15Å; F11-R14 PolarHBondContact O-N 3.48Å; R14-I17 PolarHBondContact O-N 3.13Å; R14-G18 PolarHBondContact O-N 3.46Å |
| 15 | R | 67.5 | Low | 68.2 | Low | 194 Ų | 194 | 102 Ų | 102 | 73% | 0.732 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.3 | -38.3 | 177.2 | -168.5 | 178.5 | -171.7 | -174.3 | 3.3 | 112.2 | F11 M12 W13 G18 | F11-R15 WeakPolarHBondContact O-CB 3.29Å; F11-R15 PolarHBondContact O-N 3.13Å; M12-R15 PolarHBondContact O-N 3.12Å; W13-R15 VanDerWaalsContact C-N 3.29Å; W13-R15 PolarHBondContact O-N 3.12Å; R15-G18 PolarHBondContact O-N 3.3Å |
| 16 | R | 63.3 | Low | 68.9 | Low | 189 Ų | 189 | 101 Ų | 101 | 71% | 0.713 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.2 | -39.9 | 173.5 | -77 | -173.5 | -176.2 | -173.9 | 1.6 | 111.8 | M12 W13 G18 T19 A22 | M12-R16 WeakPolarHBondContact O-CG 3.45Å; M12-R16 PolarHBondContact O-N 3.43Å; W13-R16 PolarHBondContact O-N 2.95Å; W13-R16 VanDerWaalsContact O-N 3.15Å; R16-G18 PolarHBondContact O-N 3.2Å; R16-T19 PolarHBondContact O-OG1 3.44Å; R16-T19 VanDerWaalsContact O-OG1 3.09Å; R16-A22 WeakPolarHBondContact O-CB 3.25Å |
| 17 | I | 63 | Low | 69.6 | Low | 46 Ų | 46 | 98.5 Ų | 98.5 | 24% | 0.236 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -68.1 | -24.7 | 176.8 | -63.1 | 161.3 | 0 | 0 | 0 | 112.1 | W13 R14 T19 F23 I26 | W13-I17 VanDerWaalsContact CD1-CD1 3.47Å; W13-I17 HydrophobicContact CD2-CD1 3.97Å; W13-I17 HydrophobicContact CG-CD1 3.95Å; W13-I17 HydrophobicContact CZ2-CD1 4.12Å; W13-I17 VanDerWaalsContact O-CG1 3.3Å; W13-I17 WeakPolarHBondContact O-CG1 3.25Å; W13-I17 PolarHBondContact O-N 3.5Å; R14-I17 PolarHBondContact O-N 3.13Å; I17-T19 PolarHBondContact O-N 2.79Å; I17-T19 VanDerWaalsContact O-N 3.11Å; I17-F23 HydrophobicContact CG2-CB 4.09Å; I17-F23 HydrophobicContact CG2-CD2 3.7Å; I17-F23 HydrophobicContact CG2-CG 4.34Å; I17-I26 HydrophobicContact CD1-CD1 4.46Å; I17-I26 HydrophobicContact CG1-CD1 3.6Å |
| 18 | G | 60.9 | Low | 70.8 | Confident | 69 Ų | 69 | 94.9 Ų | 94.9 | 71% | 0.711 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -10.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | R14 R15 R16 | R14-G18 PolarHBondContact O-N 3.46Å; R15-G18 PolarHBondContact O-N 3.3Å; R16-G18 PolarHBondContact O-N 3.2Å |
| 19 | T | 62.6 | Low | 72.1 | Confident | 81 Ų | 81 | 94.3 Ų | 94.3 | 50% | 0.497 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -91 | 122.8 | 166.6 | 53.1 | 0 | 0 | 0 | 0 | 108.5 | R16 I17 D21 A22 F23 | R16-T19 PolarHBondContact O-OG1 3.44Å; R16-T19 VanDerWaalsContact O-OG1 3.09Å; I17-T19 PolarHBondContact O-N 2.79Å; I17-T19 VanDerWaalsContact O-N 3.11Å; T19-D21 PolarHBondContact O-N 3.3Å; T19-D21 VanDerWaalsContact O-N 3.09Å; T19-A22 WeakPolarHBondContact O-CB 3.18Å; T19-A22 PolarHBondContact O-N 3.43Å; T19-A22 VanDerWaalsContact OG1-CB 3.31Å; T19-A22 WeakPolarHBondContact OG1-CB 3.42Å; T19-F23 PolarHBondContact O-N 3.32Å |
| 20 | A | 67.4 | Low | 73 | Confident | 69 Ų | 69 | 95.6 Ų | 95.6 | 57% | 0.57 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -46.1 | -44.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A22 F23 D24 | A20-A22 VanDerWaalsContact C-N 3.29Å; A20-A22 PolarHBondContact O-N 3.39Å; A20-F23 WeakPolarHBondContact O-CB 3.45Å; A20-F23 PolarHBondContact O-N 2.95Å; A20-F23 VanDerWaalsContact O-N 3.12Å; A20-D24 PolarHBondContact O-N 3.14Å |
| 21 | D | 75.8 | Confident | 74.2 | Confident | 135 Ų | 135 | 96.6 Ų | 96.6 | 72% | 0.722 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -57.9 | -35.8 | 179.3 | -53.1 | -27.1 | 0 | 0 | 0 | 114.1 | T19 A25 | T19-D21 PolarHBondContact O-N 3.3Å; T19-D21 VanDerWaalsContact O-N 3.09Å; D21-A25 WeakPolarHBondContact O-CB 3.47Å; D21-A25 PolarHBondContact O-N 3.35Å; D21-A25 VanDerWaalsContact O-N 3.07Å |
| 22 | A | 75.7 | Confident | 75.3 | Confident | 27 Ų | 27 | 99.9 Ų | 99.9 | 22% | 0.223 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -78.5 | -32.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R16 T19 A20 I26 | R16-A22 WeakPolarHBondContact O-CB 3.25Å; T19-A22 WeakPolarHBondContact O-CB 3.18Å; T19-A22 PolarHBondContact O-N 3.43Å; T19-A22 VanDerWaalsContact OG1-CB 3.31Å; T19-A22 WeakPolarHBondContact OG1-CB 3.42Å; A20-A22 VanDerWaalsContact C-N 3.29Å; A20-A22 PolarHBondContact O-N 3.39Å; A22-I26 WeakPolarHBondContact O-CB 3.4Å; A22-I26 VanDerWaalsContact O-CD1 3.31Å; A22-I26 WeakPolarHBondContact O-CD1 3.48Å; A22-I26 WeakPolarHBondContact O-CG1 3.5Å; A22-I26 PolarHBondContact O-N 3.26Å |
| 23 | F | 74.8 | Confident | 76.3 | Confident | 97 Ų | 97 | 100.7 Ų | 100.7 | 43% | 0.425 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65 | -46.5 | 173 | 179 | -107.6 | 0 | 0 | 0 | 110.5 | I17 T19 A20 A25 I26 L27 | I17-F23 HydrophobicContact CG2-CB 4.09Å; I17-F23 HydrophobicContact CG2-CD2 3.7Å; I17-F23 HydrophobicContact CG2-CG 4.34Å; T19-F23 PolarHBondContact O-N 3.32Å; A20-F23 WeakPolarHBondContact O-CB 3.45Å; A20-F23 PolarHBondContact O-N 2.95Å; A20-F23 VanDerWaalsContact O-N 3.12Å; F23-A25 VanDerWaalsContact C-N 3.35Å; F23-A25 PolarHBondContact O-N 2.83Å; F23-I26 PolarHBondContact O-N 3.21Å; F23-I26 VanDerWaalsContact O-N 3.14Å; F23-L27 HydrophobicContact CD1-CD1 3.76Å; F23-L27 HydrophobicContact CD1-CG 4.15Å; F23-L27 HydrophobicContact CD2-CG 4.46Å; F23-L27 HydrophobicContact CE1-CD1 3.17Å; F23-L27 HydrophobicContact CE1-CD2 4.44Å; F23-L27 HydrophobicContact CE1-CG 3.8Å; F23-L27 HydrophobicContact CE2-CD1 4.34Å; F23-L27 HydrophobicContact CE2-CD2 4.21Å; F23-L27 HydrophobicContact CE2-CG 4.11Å; F23-L27 HydrophobicContact CG-CG 4.5Å; F23-L27 HydrophobicContact CZ-CD1 3.52Å; F23-L27 HydrophobicContact CZ-CD2 3.95Å; F23-L27 HydrophobicContact CZ-CG 3.77Å; F23-L27 WeakPolarHBondContact O-CB 3.27Å; F23-L27 WeakPolarHBondContact O-CG 3.45Å; F23-L27 PolarHBondContact O-N 2.91Å |
| 24 | D | 79.1 | Confident | 77.1 | Confident | 96 Ų | 96 | 99.9 Ų | 99.9 | 51% | 0.513 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.8 | -41.6 | 178.1 | -68.1 | -26.6 | 0 | 0 | 0 | 111.6 | A20 I26 L27 D28 | A20-D24 PolarHBondContact O-N 3.14Å; D24-I26 VanDerWaalsContact C-N 3.33Å; D24-I26 PolarHBondContact O-N 3.44Å; D24-L27 PolarHBondContact O-N 3.36Å; D24-D28 VanDerWaalsContact O-CB 3.25Å; D24-D28 WeakPolarHBondContact O-CB 3.5Å; D24-D28 PolarHBondContact O-N 2.97Å |
| 25 | A | 80.8 | Confident | 77.7 | Confident | 54 Ų | 54 | 96.3 Ų | 96.3 | 45% | 0.446 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.1 | -38.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | D21 F23 V29 | D21-A25 WeakPolarHBondContact O-CB 3.47Å; D21-A25 PolarHBondContact O-N 3.35Å; D21-A25 VanDerWaalsContact O-N 3.07Å; F23-A25 VanDerWaalsContact C-N 3.35Å; F23-A25 PolarHBondContact O-N 2.83Å; A25-V29 WeakPolarHBondContact O-CG2 3.47Å; A25-V29 PolarHBondContact O-N 2.79Å; A25-V29 VanDerWaalsContact O-N 3.1Å |
| 26 | I | 83.2 | Confident | 78.2 | Confident | 53 Ų | 53 | 91.5 Ų | 91.5 | 27% | 0.272 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.3 | -44.9 | 176.3 | -71.1 | 163.3 | 0 | 0 | 0 | 110.7 | I17 A22 F23 D24 D28 V29 I30 | I17-I26 HydrophobicContact CD1-CD1 4.46Å; I17-I26 HydrophobicContact CG1-CD1 3.6Å; A22-I26 WeakPolarHBondContact O-CB 3.4Å; A22-I26 VanDerWaalsContact O-CD1 3.31Å; A22-I26 WeakPolarHBondContact O-CD1 3.48Å; A22-I26 WeakPolarHBondContact O-CG1 3.5Å; A22-I26 PolarHBondContact O-N 3.26Å; F23-I26 PolarHBondContact O-N 3.21Å; F23-I26 VanDerWaalsContact O-N 3.14Å; D24-I26 VanDerWaalsContact C-N 3.33Å; D24-I26 PolarHBondContact O-N 3.44Å; I26-D28 VanDerWaalsContact C-N 3.31Å; I26-D28 PolarHBondContact O-N 3.28Å; I26-V29 PolarHBondContact O-N 2.77Å; I26-I30 HydrophobicContact CG2-CD1 3.72Å; I26-I30 HydrophobicContact CG2-CG1 4.38Å; I26-I30 VanDerWaalsContact O-CG1 3.27Å; I26-I30 WeakPolarHBondContact O-CG1 3.37Å; I26-I30 PolarHBondContact O-N 2.95Å |
| 27 | L | 84.5 | Confident | 78.7 | Confident | 64 Ų | 64 | 93.9 Ų | 93.9 | 34% | 0.335 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.4 | -44 | 176 | -77.6 | -172.5 | 0 | 0 | 0 | 111.2 | F23 D24 V29 I30 L31 | F23-L27 HydrophobicContact CD1-CD1 3.76Å; F23-L27 HydrophobicContact CD1-CG 4.15Å; F23-L27 HydrophobicContact CD2-CG 4.46Å; F23-L27 HydrophobicContact CE1-CD1 3.17Å; F23-L27 HydrophobicContact CE1-CD2 4.44Å; F23-L27 HydrophobicContact CE1-CG 3.8Å; F23-L27 HydrophobicContact CE2-CD1 4.34Å; F23-L27 HydrophobicContact CE2-CD2 4.21Å; F23-L27 HydrophobicContact CE2-CG 4.11Å; F23-L27 HydrophobicContact CG-CG 4.5Å; F23-L27 HydrophobicContact CZ-CD1 3.52Å; F23-L27 HydrophobicContact CZ-CD2 3.95Å; F23-L27 HydrophobicContact CZ-CG 3.77Å; F23-L27 WeakPolarHBondContact O-CB 3.27Å; F23-L27 WeakPolarHBondContact O-CG 3.45Å; F23-L27 PolarHBondContact O-N 2.91Å; D24-L27 PolarHBondContact O-N 3.36Å; L27-V29 PolarHBondContact O-N 3.47Å; L27-I30 PolarHBondContact O-N 3.47Å; L27-I30 VanDerWaalsContact O-N 3.16Å; L27-L31 WeakPolarHBondContact O-CB 3.33Å; L27-L31 VanDerWaalsContact O-CG 3.25Å; L27-L31 WeakPolarHBondContact O-CG 3.29Å; L27-L31 PolarHBondContact O-N 3.36Å |
| 28 | D | 86.4 | Confident | 79 | Confident | 65 Ų | 65 | 100.6 Ų | 100.6 | 35% | 0.348 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.8 | -43.7 | 176.9 | 175 | 48.8 | 0 | 0 | 0 | 111.6 | D24 I26 I30 L31 R32 | D24-D28 VanDerWaalsContact O-CB 3.25Å; D24-D28 WeakPolarHBondContact O-CB 3.5Å; D24-D28 PolarHBondContact O-N 2.97Å; I26-D28 VanDerWaalsContact C-N 3.31Å; I26-D28 PolarHBondContact O-N 3.28Å; D28-I30 PolarHBondContact O-N 3.46Å; D28-L31 PolarHBondContact O-N 2.84Å; D28-R32 VanDerWaalsContact CG-NE 3.28Å; D28-R32 WeakPolarHBondContact O-CB 3.3Å; D28-R32 WeakPolarHBondContact O-CG 3.31Å; D28-R32 PolarHBondContact O-N 3.37Å; D28-R32 IonicContact OD1-CZ 3.39Å; D28-R32 IonicContact OD1-NE 2.72Å; D28-R32 PolarHBondContact OD1-NE 3.48Å; D28-R32 IonicContact OD1-NH2 3.26Å; D28-R32 PolarHBondContact OD1-NH2 3.16Å; D28-R32 IonicContact OD2-CZ 3.61Å; D28-R32 IonicContact OD2-NE 2.95Å; D28-R32 PolarHBondContact OD2-NE 3.31Å; D28-R32 IonicContact OD2-NH2 3.44Å; D28-R32 PolarHBondContact OD2-NH2 3.37Å |
| 29 | V | 87.6 | Confident | 78.9 | Confident | 74 Ų | 74 | 104.1 Ų | 104.1 | 45% | 0.448 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 172.3 | 171.9 | 0 | 0 | 0 | 0 | 111.8 | A25 I26 L27 R32 L33 | A25-V29 WeakPolarHBondContact O-CG2 3.47Å; A25-V29 PolarHBondContact O-N 2.79Å; A25-V29 VanDerWaalsContact O-N 3.1Å; I26-V29 PolarHBondContact O-N 2.77Å; L27-V29 PolarHBondContact O-N 3.47Å; V29-R32 PolarHBondContact O-N 3.38Å; V29-L33 HydrophobicContact CG1-CD1 3.78Å; V29-L33 HydrophobicContact CG1-CG 4.36Å; V29-L33 WeakPolarHBondContact O-CB 3.49Å; V29-L33 VanDerWaalsContact O-CG 3.29Å; V29-L33 WeakPolarHBondContact O-CG 3.31Å; V29-L33 PolarHBondContact O-N 2.6Å |
| 30 | I | 86.6 | Confident | 78.8 | Confident | 80 Ų | 80 | 108 Ų | 108 | 41% | 0.41 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62 | -45.7 | 177.8 | -69.5 | 166 | 0 | 0 | 0 | 110.6 | I26 L27 D28 R32 L33 H34 | I26-I30 HydrophobicContact CG2-CD1 3.72Å; I26-I30 HydrophobicContact CG2-CG1 4.38Å; I26-I30 VanDerWaalsContact O-CG1 3.27Å; I26-I30 WeakPolarHBondContact O-CG1 3.37Å; I26-I30 PolarHBondContact O-N 2.95Å; L27-I30 PolarHBondContact O-N 3.47Å; L27-I30 VanDerWaalsContact O-N 3.16Å; D28-I30 PolarHBondContact O-N 3.46Å; I30-R32 VanDerWaalsContact C-N 3.32Å; I30-R32 PolarHBondContact O-N 3.48Å; I30-L33 PolarHBondContact O-N 3.05Å; I30-H34 WeakPolarHBondContact O-CA 3.15Å; I30-H34 WeakPolarHBondContact O-CB 3.43Å; I30-H34 PolarHBondContact O-N 3.37Å |
| 31 | L | 88.2 | Confident | 78.7 | Confident | 95 Ų | 95 | 109.8 Ų | 109.8 | 50% | 0.497 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.8 | -32.5 | -179.6 | -70.1 | 172.9 | 0 | 0 | 0 | 112.1 | L27 D28 H34 P35 | L27-L31 WeakPolarHBondContact O-CB 3.33Å; L27-L31 VanDerWaalsContact O-CG 3.25Å; L27-L31 WeakPolarHBondContact O-CG 3.29Å; L27-L31 PolarHBondContact O-N 3.36Å; D28-L31 PolarHBondContact O-N 2.84Å; L31-H34 CarbonylContact O-C 3.47Å; L31-P35 VanDerWaalsContact O-CA 3.29Å; L31-P35 WeakPolarHBondContact O-CA 3.04Å |
| 32 | R | 87.5 | Confident | 78.3 | Confident | 185 Ų | 185 | 109 Ų | 109 | 70% | 0.698 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -69.1 | -40.8 | 172.4 | -71.7 | 171 | -165.1 | -160.4 | 4.2 | 112.5 | D28 V29 I30 | D28-R32 VanDerWaalsContact CG-NE 3.28Å; D28-R32 WeakPolarHBondContact O-CB 3.3Å; D28-R32 WeakPolarHBondContact O-CG 3.31Å; D28-R32 PolarHBondContact O-N 3.37Å; D28-R32 IonicContact OD1-CZ 3.39Å; D28-R32 IonicContact OD1-NE 2.72Å; D28-R32 PolarHBondContact OD1-NE 3.48Å; D28-R32 IonicContact OD1-NH2 3.26Å; D28-R32 PolarHBondContact OD1-NH2 3.16Å; D28-R32 IonicContact OD2-CZ 3.61Å; D28-R32 IonicContact OD2-NE 2.95Å; D28-R32 PolarHBondContact OD2-NE 3.31Å; D28-R32 IonicContact OD2-NH2 3.44Å; D28-R32 PolarHBondContact OD2-NH2 3.37Å; V29-R32 PolarHBondContact O-N 3.38Å; I30-R32 VanDerWaalsContact C-N 3.32Å; I30-R32 PolarHBondContact O-N 3.48Å |
| 33 | L | 90.1 | Very high | 77.9 | Confident | 120 Ų | 120 | 110.9 Ų | 110.9 | 63% | 0.628 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -77.3 | -34.3 | -179.9 | -70 | 173.5 | 0 | 0 | 0 | 112.5 | V29 I30 | V29-L33 HydrophobicContact CG1-CD1 3.78Å; V29-L33 HydrophobicContact CG1-CG 4.36Å; V29-L33 WeakPolarHBondContact O-CB 3.49Å; V29-L33 VanDerWaalsContact O-CG 3.29Å; V29-L33 WeakPolarHBondContact O-CG 3.31Å; V29-L33 PolarHBondContact O-N 2.6Å; I30-L33 PolarHBondContact O-N 3.05Å |
| 34 | H | 84.8 | Confident | 77.4 | Confident | 140 Ų | 140 | 112.5 Ų | 112.5 | 65% | 0.648 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -134.2 | 74.2 | -175.6 | -59.6 | -61 | 0 | 0 | 0 | 109.3 | I30 L31 | I30-H34 WeakPolarHBondContact O-CA 3.15Å; I30-H34 WeakPolarHBondContact O-CB 3.43Å; I30-H34 PolarHBondContact O-N 3.37Å; L31-H34 CarbonylContact O-C 3.47Å |
| 35 | P | 81 | Confident | 76.7 | Confident | 89 Ų | 89 | 115.6 Ų | 115.6 | 58% | 0.578 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 136.7 | 175.8 | 23 | -32.6 | 0 | 0 | 0 | 109.2 | L31 R37 | L31-P35 VanDerWaalsContact O-CA 3.29Å; L31-P35 WeakPolarHBondContact O-CA 3.04Å; P35-R37 PolarHBondContact O-N 3.09Å; P35-R37 VanDerWaalsContact O-N 3.13Å |
| 36 | P | 79.1 | Confident | 75.8 | Confident | 93 Ų | 93 | 118.9 Ų | 118.9 | 60% | 0.604 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 123.6 | 177.3 | 24.1 | -31.8 | 0 | 0 | 0 | 108.2 | Q38 | P36-Q38 PolarHBondContact O-N 3.07Å; P36-Q38 VanDerWaalsContact O-N 3.15Å |
| 37 | R | 74.5 | Confident | 74.9 | Confident | 239 Ų | 239 | 120.4 Ų | 120.4 | 90% | 0.902 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 119.5 | 173.5 | -70 | -174.1 | 173.7 | -179.7 | -2.8 | 107.8 | P35 D39 | P35-R37 PolarHBondContact O-N 3.09Å; P35-R37 VanDerWaalsContact O-N 3.13Å; R37-D39 VanDerWaalsContact C-N 3.29Å |
| 38 | Q | 67.5 | Low | 74 | Confident | 187 Ų | 187 | 121.1 Ų | 121.1 | 87% | 0.874 | 65% | 0.647 | S | S | * | * | trans | -83.1 | -14.1 | 171.7 | -66.5 | -171.4 | -38.2 | 0 | 0 | 111.7 | P36 | P36-Q38 PolarHBondContact O-N 3.07Å; P36-Q38 VanDerWaalsContact O-N 3.15Å | ||
| 39 | D | 59.7 | Low | 72.9 | Confident | 144 Ų | 144 | 126.1 Ų | 126.1 | 77% | 0.77 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -92.4 | 116.4 | -177.5 | -65.8 | -58.8 | 0 | 0 | 0 | 111.5 | R37 | R37-D39 VanDerWaalsContact C-N 3.29Š|
| 40 | E | 59.9 | Low | 71.8 | Confident | 163 Ų | 163 | 126.8 Ų | 126.8 | 76% | 0.762 | 68% | 0.677 | S | S | * | * | trans | 68 | 121.4 | 164.2 | -149.1 | 172.1 | 138.5 | 0 | 0 | 116.8 | ||||
| 41 | P | 66.3 | Low | 70.5 | Confident | 106 Ų | 106 | 125.9 Ų | 125.9 | 69% | 0.688 | 68% | 0.675 | S | S | * | * | trans | -55.9 | 142.3 | 168.6 | 25.6 | -32.8 | 0 | 0 | 0 | 108.7 | A43 | P41-A43 PolarHBondContact O-N 3.45Š| ||
| 42 | P | 66.1 | Low | 69.1 | Low | 117 Ų | 117 | 124.4 Ų | 124.4 | 76% | 0.76 | 67% | 0.67 | S | S | * | * | trans | -53.6 | 119.4 | 176.5 | 22.5 | -31.8 | 0 | 0 | 0 | 107.5 | P44 | P42-P44 VanDerWaalsContact O-N 3.17Š| ||
| 43 | A | 68.1 | Low | 67.8 | Low | 68 Ų | 68 | 125.1 Ų | 125.1 | 56% | 0.562 | 67% | 0.672 | S | S | * | * | trans | -45 | 129.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | P41 Q45 | P41-A43 PolarHBondContact O-N 3.45Å; A43-Q45 VanDerWaalsContact C-N 3.31Å; A43-Q45 PolarHBondContact O-N 3.28Å | ||
| 44 | P | 63.9 | Low | 66.2 | Low | 131 Ų | 131 | 128.6 Ų | 128.6 | 85% | 0.851 | 68% | 0.677 | S | S | * | * | trans | -56.6 | 99.9 | -173.7 | 18.8 | -29.9 | 0 | 0 | 0 | 108.5 | P42 S46 | P42-P44 VanDerWaalsContact O-N 3.17Å; P44-S46 PolarHBondContact O-N 3.04Å | ||
| 45 | Q | 64.7 | Low | 64.9 | Low | 160 Ų | 160 | 124.6 Ų | 124.6 | 75% | 0.748 | 67% | 0.669 | S | S | * | * | trans | -67.5 | 120.4 | 172.4 | -65.9 | -173.2 | -5.9 | 0 | 0 | 104.5 | A43 L47 | A43-Q45 VanDerWaalsContact C-N 3.31Å; A43-Q45 PolarHBondContact O-N 3.28Å; Q45-L47 PolarHBondContact O-N 3.1Å | ||
| 46 | S | 62.4 | Low | 63.7 | Low | 123 Ų | 123 | 126.1 Ų | 126.1 | 86% | 0.86 | 67% | 0.671 | S | S | * | * | trans | -63 | 84 | 169 | 44.3 | 0 | 0 | 0 | 0 | 107.7 | P44 | P44-S46 PolarHBondContact O-N 3.04Š| ||
| 47 | L | 63.2 | Low | 62.6 | Low | 86 Ų | 86 | 125.4 Ų | 125.4 | 45% | 0.45 | 67% | 0.665 | S | S | . | * | trans | -62 | 132.2 | 172.5 | -71.5 | 174 | 0 | 0 | 0 | 106.8 | Q45 Q49 T51 V52 | Q45-L47 PolarHBondContact O-N 3.1Å; L47-Q49 PolarHBondContact O-N 2.89Å; L47-T51 HydrophobicContact CD1-CG2 4.42Å; L47-T51 HydrophobicContact CD2-CG2 3.99Å; L47-V52 HydrophobicContact CB-CG2 3.82Å; L47-V52 HydrophobicContact CD1-CG2 4.38Å | ||
| 48 | P | 65.6 | Low | 61.4 | Low | 78 Ų | 78 | 116.2 Ų | 116.2 | 51% | 0.506 | 64% | 0.637 | S | S | . | * | trans | -55.5 | 137.3 | 169.6 | 22.6 | -29.1 | 0 | 0 | 0 | 107.5 | S50 T51 V52 | P48-S50 PolarHBondContact O-N 3.34Å; P48-T51 WeakPolarHBondContact CG-OG1 3.38Å; P48-T51 WeakPolarHBondContact O-CA 3.47Å; P48-T51 WeakPolarHBondContact O-CB 3.32Å; P48-T51 PolarHBondContact O-N 2.81Å; P48-V52 PolarHBondContact O-N 2.9Å | ||
| 49 | Q | 63.6 | Low | 60.9 | Low | 171 Ų | 171 | 113 Ų | 113 | 80% | 0.799 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -55.4 | -23.1 | -173.8 | -69 | -169.6 | -16.3 | 0 | 0 | 113.1 | L47 T51 V52 R53 | L47-Q49 PolarHBondContact O-N 2.89Å; Q49-T51 VanDerWaalsContact C-N 3.32Å; Q49-T51 PolarHBondContact O-N 3.14Å; Q49-V52 PolarHBondContact O-N 3.12Å; Q49-R53 PolarHBondContact O-N 2.72Å; Q49-R53 VanDerWaalsContact O-N 3.13Å |
| 50 | S | 64.8 | Low | 60.5 | Low | 88 Ų | 88 | 108.5 Ų | 108.5 | 62% | 0.615 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -60.2 | -37 | 170.6 | 55.6 | 0 | 0 | 0 | 0 | 113.1 | P48 R54 | P48-S50 PolarHBondContact O-N 3.34Å; S50-R54 PolarHBondContact O-N 3.43Å |
| 51 | T | 60 | Low | 60.5 | Low | 61 Ų | 61 | 107.3 Ų | 107.3 | 37% | 0.374 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -75.1 | -37.5 | 177.1 | -56.5 | 0 | 0 | 0 | 0 | 111.9 | L47 P48 Q49 R53 R54 A55 | L47-T51 HydrophobicContact CD1-CG2 4.42Å; L47-T51 HydrophobicContact CD2-CG2 3.99Å; P48-T51 WeakPolarHBondContact CG-OG1 3.38Å; P48-T51 WeakPolarHBondContact O-CA 3.47Å; P48-T51 WeakPolarHBondContact O-CB 3.32Å; P48-T51 PolarHBondContact O-N 2.81Å; Q49-T51 VanDerWaalsContact C-N 3.32Å; Q49-T51 PolarHBondContact O-N 3.14Å; T51-R53 PolarHBondContact O-N 3.01Å; T51-R54 PolarHBondContact O-N 3.33Å; T51-A55 PolarHBondContact O-N 3.39Å |
| 52 | V | 59 | Low | 59.9 | Low | 64 Ų | 64 | 107.9 Ų | 107.9 | 39% | 0.388 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63.6 | -43.2 | 177 | -177.4 | 0 | 0 | 0 | 0 | 111 | L47 P48 Q49 R54 A55 L56 | L47-V52 HydrophobicContact CB-CG2 3.82Å; L47-V52 HydrophobicContact CD1-CG2 4.38Å; P48-V52 PolarHBondContact O-N 2.9Å; Q49-V52 PolarHBondContact O-N 3.12Å; V52-R54 VanDerWaalsContact C-N 3.31Å; V52-R54 PolarHBondContact O-N 3.22Å; V52-A55 PolarHBondContact O-N 3.26Å; V52-L56 HydrophobicContact CG1-CD1 4.17Å; V52-L56 WeakPolarHBondContact O-CG 3.4Å; V52-L56 PolarHBondContact O-N 3.3Å; V52-L56 VanDerWaalsContact O-N 3.11Å |
| 53 | R | 58.7 | Low | 59.1 | Low | 200 Ų | 200 | 103.2 Ų | 103.2 | 76% | 0.755 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -60.6 | -39.7 | 174.2 | -84.8 | -177.3 | 146.3 | -171.7 | -5.9 | 112.4 | Q49 T51 T57 | Q49-R53 PolarHBondContact O-N 2.72Å; Q49-R53 VanDerWaalsContact O-N 3.13Å; T51-R53 PolarHBondContact O-N 3.01Å; R53-T57 WeakPolarHBondContact O-CG2 3.37Å; R53-T57 PolarHBondContact O-N 2.99Å; R53-T57 VanDerWaalsContact O-N 3.12Å; R53-T57 PolarHBondContact O-OG1 3.09Å |
| 54 | R | 57.5 | Low | 58.3 | Low | 192 Ų | 192 | 104.7 Ų | 104.7 | 73% | 0.725 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -70.6 | -35.6 | 179.7 | -153.1 | 173.4 | -164.8 | 154.2 | 3.2 | 112.6 | S50 T51 V52 T57 C58 | S50-R54 PolarHBondContact O-N 3.43Å; T51-R54 PolarHBondContact O-N 3.33Å; V52-R54 VanDerWaalsContact C-N 3.31Å; V52-R54 PolarHBondContact O-N 3.22Å; R54-T57 WeakPolarHBondContact CA-OG1 3.32Å; R54-T57 PolarHBondContact O-N 2.94Å; R54-T57 PolarHBondContact O-OG1 2.95Å; R54-C58 PolarHBondContact O-N 3.15Å; R54-C58 PolarHBondContact O-SG 3.11Å; R54-C58 VanDerWaalsContact O-SG 3.32Å |
| 55 | A | 56.8 | Low | 57.8 | Low | 57 Ų | 57 | 102.5 Ų | 102.5 | 47% | 0.471 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.1 | -42.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | T51 V52 T57 C58 | T51-A55 PolarHBondContact O-N 3.39Å; V52-A55 PolarHBondContact O-N 3.26Å; A55-T57 VanDerWaalsContact C-N 3.3Å; A55-T57 PolarHBondContact O-N 3.41Å; A55-C58 PolarHBondContact O-N 2.99Å; A55-C58 VanDerWaalsContact O-N 3.12Å |
| 56 | L | 57.2 | Low | 57.1 | Low | 120 Ų | 120 | 101 Ų | 101 | 63% | 0.628 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -69.1 | -26.6 | 177.4 | -68.8 | 170.2 | 0 | 0 | 0 | 113.1 | V52 C58 T59 | V52-L56 HydrophobicContact CG1-CD1 4.17Å; V52-L56 WeakPolarHBondContact O-CG 3.4Å; V52-L56 PolarHBondContact O-N 3.3Å; V52-L56 VanDerWaalsContact O-N 3.11Å; L56-C58 VanDerWaalsContact C-N 3.34Å; L56-T59 PolarHBondContact O-OG1 3.4Å; L56-T59 VanDerWaalsContact O-OG1 3.12Å |
| 57 | T | 54.9 | Low | 56.6 | Low | 79 Ų | 79 | 99.2 Ų | 99.2 | 49% | 0.485 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -73.8 | -25.8 | 171.3 | 52.2 | 0 | 0 | 0 | 0 | 112.2 | R53 R54 A55 A63 | R53-T57 WeakPolarHBondContact O-CG2 3.37Å; R53-T57 PolarHBondContact O-N 2.99Å; R53-T57 VanDerWaalsContact O-N 3.12Å; R53-T57 PolarHBondContact O-OG1 3.09Å; R54-T57 WeakPolarHBondContact CA-OG1 3.32Å; R54-T57 PolarHBondContact O-N 2.94Å; R54-T57 PolarHBondContact O-OG1 2.95Å; A55-T57 VanDerWaalsContact C-N 3.3Å; A55-T57 PolarHBondContact O-N 3.41Å; T57-A63 WeakPolarHBondContact O-CB 3.3Å |
| 58 | C | 49.1 | Very low | 56.1 | Low | 46 Ų | 46 | 105.5 Ų | 105.5 | 31% | 0.311 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.5 | 0.5 | -175 | -71.3 | 0 | 0 | 0 | 0 | 115.1 | R54 A55 L56 S60 L64 | R54-C58 PolarHBondContact O-N 3.15Å; R54-C58 PolarHBondContact O-SG 3.11Å; R54-C58 VanDerWaalsContact O-SG 3.32Å; A55-C58 PolarHBondContact O-N 2.99Å; A55-C58 VanDerWaalsContact O-N 3.12Å; L56-C58 VanDerWaalsContact C-N 3.34Å; C58-S60 VanDerWaalsContact C-N 3.31Å; C58-L64 HydrophobicContact CB-CD2 4.06Å |
| 59 | T | 56.9 | Low | 55.4 | Low | 119 Ų | 119 | 107.1 Ų | 107.1 | 73% | 0.73 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -10.8 | -179.7 | 52 | 0 | 0 | 0 | 0 | 113.8 | L56 | L56-T59 PolarHBondContact O-OG1 3.4Å; L56-T59 VanDerWaalsContact O-OG1 3.12Å |
| 60 | S | 52.4 | Low | 54.7 | Low | 49 Ų | 49 | 107.8 Ų | 107.8 | 34% | 0.343 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -95.7 | 130.4 | 167.7 | 170.2 | 0 | 0 | 0 | 0 | 110 | C58 D62 A63 L64 | C58-S60 VanDerWaalsContact C-N 3.31Å; S60-D62 PolarHBondContact O-N 3.41Å; S60-D62 VanDerWaalsContact O-N 3.14Å; S60-D62 WeakPolarHBondContact OG-CB 3.38Å; S60-D62 PolarHBondContact OG-N 2.91Å; S60-D62 VanDerWaalsContact OG-N 3.13Å; S60-D62 PolarHBondContact OG-OD2 3.35Å; S60-A63 PolarHBondContact O-N 2.95Å; S60-L64 PolarHBondContact O-N 3.36Å |
| 61 | I | 58.7 | Low | 53.9 | Low | 139 Ų | 139 | 109.6 Ų | 109.6 | 71% | 0.713 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -51 | -35.6 | 170.8 | -67.6 | 171.4 | 0 | 0 | 0 | 110.4 | A63 L64 C65 | I61-A63 VanDerWaalsContact C-N 3.3Å; I61-A63 PolarHBondContact O-N 2.77Å; I61-L64 PolarHBondContact O-N 3.45Å; I61-C65 PolarHBondContact O-N 2.94Å |
| 62 | D | 53.9 | Low | 53.3 | Low | 117 Ų | 117 | 113.3 Ų | 113.3 | 63% | 0.626 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -66.6 | -31.6 | 179.4 | -57.2 | -45.2 | 0 | 0 | 0 | 112.6 | S60 C65 L66 | S60-D62 PolarHBondContact O-N 3.41Å; S60-D62 VanDerWaalsContact O-N 3.14Å; S60-D62 WeakPolarHBondContact OG-CB 3.38Å; S60-D62 PolarHBondContact OG-N 2.91Å; S60-D62 VanDerWaalsContact OG-N 3.13Å; S60-D62 PolarHBondContact OG-OD2 3.35Å; D62-C65 WeakPolarHBondContact O-CB 3.47Å; D62-C65 PolarHBondContact O-N 2.9Å; D62-L66 WeakPolarHBondContact O-CG 3.4Å; D62-L66 PolarHBondContact O-N 3.41Å |
| 63 | A | 49.8 | Very low | 52.6 | Low | 20 Ų | 20 | 116.6 Ų | 116.6 | 17% | 0.165 | 62% | 0.622 | C | S | . | * | H | α-helix | trans | -83.5 | -25.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | T57 S60 I61 C65 S67 | T57-A63 WeakPolarHBondContact O-CB 3.3Å; S60-A63 PolarHBondContact O-N 2.95Å; I61-A63 VanDerWaalsContact C-N 3.3Å; I61-A63 PolarHBondContact O-N 2.77Å; A63-C65 VanDerWaalsContact C-N 3.27Å; A63-S67 PolarHBondContact O-N 3Å; A63-S67 PolarHBondContact O-OG 2.96Å |
| 64 | L | 51.6 | Low | 52.2 | Low | 99 Ų | 99 | 111.8 Ų | 111.8 | 52% | 0.518 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -67 | -31 | 166 | -72.8 | 170.4 | 0 | 0 | 0 | 111.5 | C58 S60 I61 | C58-L64 HydrophobicContact CB-CD2 4.06Å; S60-L64 PolarHBondContact O-N 3.36Å; I61-L64 PolarHBondContact O-N 3.45Å |
| 65 | C | 52.1 | Low | 51.7 | Low | 85 Ų | 85 | 111.8 Ų | 111.8 | 57% | 0.574 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -72.7 | -39 | 175.6 | -78.7 | 0 | 0 | 0 | 0 | 113.2 | I61 D62 A63 T69 | I61-C65 PolarHBondContact O-N 2.94Å; D62-C65 WeakPolarHBondContact O-CB 3.47Å; D62-C65 PolarHBondContact O-N 2.9Å; A63-C65 VanDerWaalsContact C-N 3.27Å; C65-T69 PolarHBondContact O-OG1 2.89Å |
| 66 | L | 50.3 | Low | 51.2 | Low | 129 Ų | 129 | 113.9 Ų | 113.9 | 68% | 0.675 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -72 | -31 | 179.4 | -70.3 | 164.9 | 0 | 0 | 0 | 113.3 | D62 R68 T69 | D62-L66 WeakPolarHBondContact O-CG 3.4Å; D62-L66 PolarHBondContact O-N 3.41Å; L66-R68 PolarHBondContact O-N 3.22Å; L66-T69 PolarHBondContact O-N 3.46Å; L66-T69 PolarHBondContact O-OG1 3.34Å |
| 67 | S | 52.1 | Low | 50.8 | Low | 85 Ų | 85 | 113.6 Ų | 113.6 | 59% | 0.594 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -14.8 | -177.5 | -57.6 | 0 | 0 | 0 | 0 | 113.6 | A63 | A63-S67 PolarHBondContact O-N 3Å; A63-S67 PolarHBondContact O-OG 2.96Å |
| 68 | R | 54.2 | Low | 50.4 | Low | 217 Ų | 217 | 115.6 Ų | 115.6 | 82% | 0.819 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -6.4 | -179.2 | -112.8 | 177.4 | 165.3 | -178.8 | -4.4 | 113.9 | L66 | L66-R68 PolarHBondContact O-N 3.22Š|
| 69 | T | 50.8 | Low | 50.3 | Low | 113 Ų | 113 | 118.2 Ų | 118.2 | 69% | 0.693 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -104.5 | -2.4 | -170.9 | -10.8 | 0 | 0 | 0 | 0 | 114.5 | C65 L66 V71 | C65-T69 PolarHBondContact O-OG1 2.89Å; L66-T69 PolarHBondContact O-N 3.46Å; L66-T69 PolarHBondContact O-OG1 3.34Å; T69-V71 PolarHBondContact O-N 2.78Å |
| 70 | Q | 48.4 | Very low | 50.1 | Low | 185 Ų | 185 | 119 Ų | 119 | 86% | 0.864 | 69% | 0.694 | S | S | * | * | trans | -96 | 64.9 | 173.9 | -80.5 | -156.4 | 10.8 | 0 | 0 | 112.4 | ||||
| 71 | V | 47.3 | Very low | 49.6 | Very low | 125 Ų | 125 | 122.6 Ų | 122.6 | 76% | 0.758 | 72% | 0.719 | S | S | * | * | trans | -97.9 | 111.6 | 157.5 | -179.9 | 0 | 0 | 0 | 0 | 106.4 | T69 | T69-V71 PolarHBondContact O-N 2.78Š| ||
| 72 | N | 46.8 | Very low | 49 | Very low | 140 Ų | 140 | 120.5 Ų | 120.5 | 75% | 0.749 | 72% | 0.722 | S | S | * | * | trans | -46.5 | 125.8 | 174.3 | -91.5 | -63 | 0 | 0 | 0 | 110.8 | S74 | N72-S74 PolarHBondContact O-N 3.45Š| ||
| 73 | P | 45.6 | Very low | 48.8 | Very low | 133 Ų | 133 | 121.2 Ų | 121.2 | 86% | 0.864 | 73% | 0.731 | S | S | * | * | trans | -82.2 | 72.3 | 169.4 | 34.8 | -30.1 | 0 | 0 | 0 | 107.7 | ||||
| 74 | S | 49.8 | Very low | 48.4 | Very low | 99 Ų | 99 | 125.3 Ų | 125.3 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | trans | -123.2 | 52.6 | -178.4 | -175.6 | 0 | 0 | 0 | 0 | 111.3 | N72 | N72-S74 PolarHBondContact O-N 3.45Š| ||
| 75 | E | 46.6 | Very low | 48.3 | Very low | 191 Ų | 191 | 130.6 Ų | 130.6 | 89% | 0.893 | 77% | 0.771 | S | S | * | * | trans | -171.2 | 107.1 | 148.8 | -130.3 | 169.5 | 102.7 | 0 | 0 | 107.9 | ||||
| 76 | A | 46.6 | Very low | 48 | Very low | 102 Ų | 102 | 136.8 Ų | 136.8 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | trans | -106 | 134.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 77 | P | 49.5 | Very low | 48 | Very low | 113 Ų | 113 | 138.3 Ų | 138.3 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | -123.4 | 167.4 | 145.6 | 32 | -17.3 | 0 | 0 | 0 | 111.2 | ||||
| 78 | P | 46.5 | Very low | 47.5 | Very low | 121 Ų | 121 | 141.2 Ų | 141.2 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | -81.9 | 162.6 | -128.1 | 31.3 | -36.4 | 0 | 0 | 0 | 116.2 | T80 | P78-T80 PolarHBondContact O-N 3.27Š| |||
| 79 | A | 46.5 | Very low | 47.2 | Very low | 102 Ų | 102 | 135.2 Ų | 135.2 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | -48 | 121.6 | 174 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 80 | T | 52.8 | Low | 47.3 | Very low | 136 Ų | 136 | 135.7 Ų | 135.7 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | trans | -120.3 | 121.5 | 153.1 | 29.1 | 0 | 0 | 0 | 0 | 108.6 | P78 A82 | P78-T80 PolarHBondContact O-N 3.27Å; T80-A82 PolarHBondContact O-N 3.09Å | ||
| 81 | S | 41.3 | Very low | 47.5 | Very low | 124 Ų | 124 | 134 Ų | 134 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | trans | -58.5 | 117 | 179.4 | 43.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 82 | A | 46.9 | Very low | 47.7 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | trans | -139.7 | 79.4 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | T80 | T80-A82 PolarHBondContact O-N 3.09Š| ||
| 83 | V | 49.3 | Very low | 48.1 | Very low | 132 Ų | 132 | 140.4 Ų | 140.4 | 80% | 0.8 | 80% | 0.804 | S | S | * | * | trans | 32.3 | 98 | 146.3 | -175.8 | 0 | 0 | 0 | 0 | 115.9 | R85 | V83-R85 PolarHBondContact O-N 3.12Å; V83-R85 VanDerWaalsContact O-N 3.12Å | ||
| 84 | S | 41.7 | Very low | 48.3 | Very low | 106 Ų | 106 | 144.6 Ų | 144.6 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | trans | -55 | 107.6 | 160 | -176.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 85 | R | 49.4 | Very low | 48.6 | Very low | 211 Ų | 211 | 148.9 Ų | 148.9 | 80% | 0.796 | 81% | 0.812 | S | S | * | * | trans | -119.3 | 71.7 | 161.1 | -139.4 | -178.7 | -165.6 | -166.8 | 4.9 | 108.5 | V83 Q87 | V83-R85 PolarHBondContact O-N 3.12Å; V83-R85 VanDerWaalsContact O-N 3.12Å; R85-Q87 VanDerWaalsContact C-N 3.32Å; R85-Q87 PolarHBondContact O-N 3.35Å | ||
| 86 | R | 46.2 | Very low | 49 | Very low | 215 Ų | 215 | 151.4 Ų | 151.4 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | trans | -66.1 | 91.3 | 164.6 | -76.7 | -171 | 173.5 | -152 | 0.1 | 108.6 | N88 | R86-N88 PolarHBondContact O-N 2.98Š| ||
| 87 | Q | 50 | Low | 49.5 | Very low | 160 Ų | 160 | 154.4 Ų | 154.4 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | trans | -82.6 | 100.2 | 159 | -75.3 | -172.1 | -8.1 | 0 | 0 | 108 | R85 A89 | R85-Q87 VanDerWaalsContact C-N 3.32Å; R85-Q87 PolarHBondContact O-N 3.35Å; Q87-A89 PolarHBondContact O-N 3.12Å; Q87-A89 VanDerWaalsContact O-N 3.12Å | ||
| 88 | N | 40.6 | Very low | 49.7 | Very low | 147 Ų | 147 | 154.1 Ų | 154.1 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | trans | -56.6 | 104.2 | 166.5 | -68.8 | -48.9 | 0 | 0 | 0 | 109.2 | R86 | R86-N88 PolarHBondContact O-N 2.98Š| ||
| 89 | A | 48.4 | Very low | 50.1 | Low | 90 Ų | 90 | 157.7 Ų | 157.7 | 74% | 0.744 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -89 | 126.1 | 166 | 0 | 0 | 0 | 0 | 0 | 108.8 | Q87 I91 | Q87-A89 PolarHBondContact O-N 3.12Å; Q87-A89 VanDerWaalsContact O-N 3.12Å; A89-I91 PolarHBondContact O-N 3.32Å |
| 90 | P | 53.2 | Low | 50.4 | Low | 124 Ų | 124 | 163.6 Ų | 163.6 | 81% | 0.805 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 128.9 | -165.7 | 26.9 | -32.6 | 0 | 0 | 0 | 112.2 | L92 | P90-L92 PolarHBondContact O-N 3.35Š|
| 91 | I | 51.9 | Low | 50.4 | Low | 148 Ų | 148 | 165.3 Ų | 165.3 | 76% | 0.759 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -47.1 | 123.2 | 168.2 | -64 | 163.4 | 0 | 0 | 0 | 109.5 | A89 R93 | A89-I91 PolarHBondContact O-N 3.32Å; I91-R93 VanDerWaalsContact C-N 3.31Å; I91-R93 HydrophobicContact CG2-CG 4.36Å; I91-R93 PolarHBondContact O-N 3.46Å |
| 92 | L | 52.1 | Low | 50.5 | Low | 173 Ų | 173 | 174.4 Ų | 174.4 | 91% | 0.906 | 84% | 0.842 | S | S | * | * | trans | -51.7 | 89.2 | 170.1 | -93.4 | 119.9 | 0 | 0 | 0 | 110.7 | P90 | P90-L92 PolarHBondContact O-N 3.35Š| ||
| 93 | R | 54.8 | Low | 50.7 | Low | 228 Ų | 228 | 178.5 Ų | 178.5 | 86% | 0.86 | 85% | 0.845 | S | S | * | * | trans | -113.4 | 65.1 | 168.9 | -86.6 | -170 | 170.6 | 168.8 | -1.6 | 109.7 | I91 | I91-R93 VanDerWaalsContact C-N 3.31Å; I91-R93 HydrophobicContact CG2-CG 4.36Å; I91-R93 PolarHBondContact O-N 3.46Å | ||
| 94 | R | 50.9 | Low | 50.8 | Low | 221 Ų | 221 | 180.9 Ų | 180.9 | 83% | 0.834 | 85% | 0.847 | S | S | * | * | trans | -151.5 | 66.2 | 162.5 | -73.8 | -159.9 | -178.9 | 177.6 | 0.4 | 111 | ||||
| 95 | H | 56.4 | Low | 51.3 | Low | 189 Ų | 189 | 185.1 Ų | 185.1 | 88% | 0.875 | 85% | 0.853 | S | S | * | * | S | Bend | trans | -117.8 | 19.7 | 169.4 | -131.3 | -63.7 | 0 | 0 | 0 | 112.9 | ||
| 96 | R | 54.9 | Low | 51.4 | Low | 244 Ų | 244 | 183.5 Ų | 183.5 | 92% | 0.921 | 86% | 0.857 | S | S | * | * | S | Bend | trans | -130.6 | 17.8 | -174 | -117.5 | -173.1 | -169.4 | 173.4 | 4.3 | 116 | ||
| 97 | Q | 55.9 | Low | 51.7 | Low | 164 Ų | 164 | 181.6 Ų | 181.6 | 77% | 0.766 | 86% | 0.86 | S | S | * | * | S | Bend | trans | -118.6 | 6.5 | 179.2 | -93.9 | -177.1 | -33.5 | 0 | 0 | 115.1 | ||
| 98 | A | 53.4 | Low | 51.8 | Low | 108 Ų | 108 | 183 Ų | 183 | 89% | 0.893 | 87% | 0.867 | S | S | * | * | S | Bend | trans | -95.9 | 9.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 99 | E | 55.7 | Low | 52.6 | Low | 195 Ų | 195 | 185.6 Ų | 185.6 | 91% | 0.911 | 87% | 0.873 | S | S | * | * | S | Bend | trans | -112.4 | 12.4 | -179.3 | -87.4 | -175 | 142.4 | 0 | 0 | 114.6 | ||
| 100 | R | 51.9 | Low | 52.9 | Low | 226 Ų | 226 | 192.9 Ų | 192.9 | 85% | 0.853 | 88% | 0.883 | S | S | * | * | trans | -127.8 | 84.7 | 176.2 | -83.6 | -175.5 | 150.7 | -149.5 | -3.9 | 110 | ||||
| 101 | L | 53.4 | Low | 52.9 | Low | 172 Ų | 172 | 198.7 Ų | 198.7 | 90% | 0.901 | 89% | 0.889 | S | S | * | * | trans | 160.7 | 73.5 | 159.7 | -86.1 | 148.8 | 0 | 0 | 0 | 105.7 | ||||
| 102 | R | 43.7 | Very low | 53 | Low | 316 Ų | 316 | 203.3 Ų | 203.3 | 100% | 1.192 | 90% | 0.901 | S | S | * | * | -2.8 | 0 | 83 | -81 | -167.9 | -179.3 | 176.5 | 1.3 | 117.1 |
Retrieved 102 of 102 residues in 28.1 ms
(Link to these results)