| 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 | 58.5 | Low | 86 | Confident | 155 Ų | 155 | 84.5 Ų | 84.5 | 76% | 0.764 | 42% | 0.421 | S | S | * | . | 0 | 84.4 | 0 | -91.4 | -169.8 | 179.9 | 0 | 0 | 104.3 | Y6 | M1-Y6 HydrophobicContact SD-CD1 4.4Š| |||
| 2 | D | 64.4 | Low | 86.3 | Confident | 156 Ų | 156 | 81.6 Ų | 81.6 | 83% | 0.834 | 41% | 0.411 | S | S | * | . | trans | -104.1 | -7.4 | -148.9 | -47.1 | -44.1 | 0 | 0 | 0 | 113.4 | ||||
| 3 | E | 80.6 | Confident | 86.8 | Confident | 125 Ų | 125 | 92.2 Ų | 92.2 | 58% | 0.584 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -137.5 | 45.1 | -172.5 | -60.5 | 176.3 | 106.7 | 0 | 0 | 112.8 | K5 | E3-K5 HydrophobicContact CB-CD 4.28Å; E3-K5 HydrophobicContact CB-CG 4.39Å; E3-K5 PolarHBondContact O-N 2.53Å; E3-K5 WeakPolarHBondContact OE2-CE 3.01Å; E3-K5 IonicContact OE2-NZ 2.79Å; E3-K5 PolarHBondContact OE2-NZ 2.79Å |
| 4 | K | 87.2 | Confident | 87.3 | Confident | 56 Ų | 56 | 86.8 Ų | 86.8 | 24% | 0.243 | 42% | 0.421 | C | S | . | . | S | Bend | trans | 48.8 | 38 | -174.9 | -61.5 | -172.1 | 173.2 | -171.3 | 0 | 113.1 | Y6 L63 E65 S67 | K4-Y6 HydrophobicContact CB-CE2 4.4Å; K4-Y6 WeakPolarHBondContact O-CD2 3.49Å; K4-L63 HydrophobicContact CB-CB 4.11Å; K4-L63 PolarHBondContact O-N 2.82Å; K4-E65 PolarHBondContact NZ-O 3.12Å; K4-S67 PolarHBondContact NZ-O 3.4Å |
| 5 | K | 91.7 | Very high | 87.8 | Confident | 78 Ų | 78 | 86 Ų | 86 | 34% | 0.339 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 118.1 | 178.9 | -75.5 | 174.2 | -175 | 167.5 | 0 | 109.7 | E3 V60 V61 T62 | E3-K5 HydrophobicContact CB-CD 4.28Å; E3-K5 HydrophobicContact CB-CG 4.39Å; E3-K5 PolarHBondContact O-N 2.53Å; E3-K5 WeakPolarHBondContact OE2-CE 3.01Å; E3-K5 IonicContact OE2-NZ 2.79Å; E3-K5 PolarHBondContact OE2-NZ 2.79Å; K5-V60 HydrophobicContact CB-CG1 4.37Å; K5-V61 CarbonylContact C-O 3.57Å; K5-V61 WeakPolarHBondContact CA-O 3.38Å; K5-T62 HydrophobicContact CG-CG2 4.01Å |
| 6 | Y | 92.7 | Very high | 88.3 | Confident | 23 Ų | 23 | 87.1 Ų | 87.1 | 9% | 0.09 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 144.8 | -179.5 | -61 | -88.1 | 0 | 0 | 0 | 110 | M1 K4 V60 V61 L63 I70 I72 | M1-Y6 HydrophobicContact SD-CD1 4.4Å; K4-Y6 HydrophobicContact CB-CE2 4.4Å; K4-Y6 WeakPolarHBondContact O-CD2 3.49Å; Y6-V60 CarbonylContact O-C 3.49Å; Y6-V60 VanDerWaalsContact O-CA 3.32Å; Y6-V60 WeakPolarHBondContact O-CA 2.98Å; Y6-V61 PolarHBondContact N-O 2.86Å; Y6-V61 PolarHBondContact O-N 3.05Å; Y6-L63 HydrophobicContact CD2-CD1 3.9Å; Y6-L63 HydrophobicContact CD2-CG 3.99Å; Y6-L63 HydrophobicContact CE2-CD1 3.46Å; Y6-L63 VanDerWaalsContact CE2-CD1 3.46Å; Y6-L63 HydrophobicContact CE2-CG 3.95Å; Y6-I70 HydrophobicContact CD1-CB 4.21Å; Y6-I70 HydrophobicContact CD2-CD1 4.01Å; Y6-I70 HydrophobicContact CE1-CB 3.87Å; Y6-I70 WeakPolarHBondContact CE1-O 3.49Å; Y6-I70 HydrophobicContact CE2-CB 4.35Å; Y6-I70 HydrophobicContact CE2-CD1 4.31Å; Y6-I70 HydrophobicContact CE2-CG1 4.32Å; Y6-I70 HydrophobicContact CG-CD1 4.16Å; Y6-I70 PolarHBondContact OH-N 2.87Å; Y6-I70 VanDerWaalsContact OH-N 3.14Å; Y6-I72 HydrophobicContact CD1-CG1 4.17Å; Y6-I72 HydrophobicContact CE1-CG1 4.31Å |
| 7 | T | 92.8 | Very high | 88.8 | Confident | 73 Ų | 73 | 87.3 Ų | 87.3 | 45% | 0.448 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 123.8 | 178.9 | -57.2 | 0 | 0 | 0 | 0 | 110.3 | K58 A59 V60 | T7-K58 HydrophobicContact CG2-CB 4.22Å; T7-K58 HydrophobicContact CG2-CD 4.47Å; T7-A59 CarbonylContact C-O 3.5Å; T7-A59 WeakPolarHBondContact CA-O 2.97Å; T7-V60 HydrophobicContact CG2-CG2 4.32Å |
| 8 | F | 92.9 | Very high | 89.2 | Confident | 40 Ų | 40 | 87.6 Ų | 87.6 | 18% | 0.175 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 143.3 | 178.1 | -61.3 | -82.2 | 0 | 0 | 0 | 111 | V10 V23 F27 K58 A59 V61 I70 | F8-V10 HydrophobicContact CB-CG1 4.2Å; F8-V23 HydrophobicContact CD2-CG2 4.45Å; F8-V23 HydrophobicContact CE2-CG2 4.4Å; F8-F27 AromaticContact CE1-CE2 3.95Å; F8-F27 HydrophobicContact CE1-CE2 3.95Å; F8-F27 HydrophobicContact CE1-CZ 4.11Å; F8-F27 HydrophobicContact CZ-CE2 4.1Å; F8-K58 CarbonylContact O-C 3.58Å; F8-K58 WeakPolarHBondContact O-CA 3.49Å; F8-A59 PolarHBondContact N-O 3.19Å; F8-A59 PolarHBondContact O-N 2.91Å; F8-V61 HydrophobicContact CD2-CB 4.37Å; F8-V61 HydrophobicContact CD2-CG2 3.88Å; F8-V61 HydrophobicContact CE2-CB 4.26Å; F8-V61 HydrophobicContact CE2-CG2 4.19Å; F8-I70 HydrophobicContact CE2-CD1 4.49Å; F8-I70 HydrophobicContact CZ-CD1 3.99Å |
| 9 | E | 94.6 | Very high | 89.6 | Confident | 102 Ų | 102 | 83.4 Ų | 83.4 | 48% | 0.477 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 125.7 | 161.5 | -174.8 | 170.3 | 151.4 | 0 | 0 | 108.1 | K54 R56 R57 | E9-K54 IonicContact OE1-NZ 3.82Å; E9-K54 PolarHBondContact OE1-NZ 3.15Å; E9-R56 HydrophobicContact CG-CG 4.5Å; E9-R56 WeakPolarHBondContact OE2-CD 3.45Å; E9-R56 IonicContact OE2-NH1 2.63Å; E9-R57 WeakPolarHBondContact CA-O 3.4Å |
| 10 | V | 95.8 | Very high | 89.9 | Confident | 28 Ų | 28 | 83.4 Ų | 83.4 | 17% | 0.17 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 161.9 | -177.1 | -60.5 | 0 | 0 | 0 | 0 | 110.4 | F8 A14 V19 R57 A59 | F8-V10 HydrophobicContact CB-CG1 4.2Å; V10-A14 HydrophobicContact CB-CB 4.5Å; V10-V19 HydrophobicContact CB-CG2 4.27Å; V10-V19 HydrophobicContact CG1-CG1 4.28Å; V10-V19 HydrophobicContact CG1-CG2 4Å; V10-V19 HydrophobicContact CG2-CG2 4.34Å; V10-R57 HydrophobicContact CG2-CB 3.96Å; V10-R57 HydrophobicContact CG2-CG 3.73Å; V10-R57 PolarHBondContact N-O 3.35Å; V10-A59 HydrophobicContact CG1-CB 3.79Å; V10-A59 HydrophobicContact CG2-CB 4.13Å |
| 11 | D | 94.4 | Very high | 90.2 | Very high | 94 Ų | 94 | 84.6 Ų | 84.6 | 50% | 0.503 | 41% | 0.414 | S | S | . | . | trans | -58.8 | 142.2 | 175.3 | -178.9 | -98 | 0 | 0 | 0 | 111.1 | R13 A14 R57 | D11-R13 PolarHBondContact O-N 3.4Å; D11-R13 VanDerWaalsContact O-N 3.12Å; D11-R13 WeakPolarHBondContact OD1-CA 3.41Å; D11-R13 WeakPolarHBondContact OD1-CB 3.35Å; D11-R13 PolarHBondContact OD1-N 3.44Å; D11-A14 HydrophobicContact CB-CB 4.43Å; D11-A14 VanDerWaalsContact O-CB 3.28Å; D11-A14 WeakPolarHBondContact O-CB 3.26Å; D11-A14 PolarHBondContact O-N 2.74Å; D11-R57 WeakPolarHBondContact O-CD 3.34Å | ||
| 12 | T | 90.6 | Very high | 92 | Very high | 49 Ų | 49 | 80 Ų | 80 | 30% | 0.301 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -22.1 | -174.9 | 59.7 | 0 | 0 | 0 | 0 | 114.3 | K55 R57 | T12-K55 HydrophobicContact CG2-CD 4.25Å; T12-K55 HydrophobicContact CG2-CG 4.24Å; T12-R57 WeakPolarHBondContact O-CD 3.28Å; T12-R57 PolarHBondContact O-NH1 3.3Å |
| 13 | R | 92.4 | Very high | 93.4 | Very high | 220 Ų | 220 | 73.1 Ų | 73.1 | 83% | 0.83 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -9.5 | 177.7 | -54 | -180 | 175.3 | 121.5 | -5.7 | 113 | D11 N15 | D11-R13 PolarHBondContact O-N 3.4Å; D11-R13 VanDerWaalsContact O-N 3.12Å; D11-R13 WeakPolarHBondContact OD1-CA 3.41Å; D11-R13 WeakPolarHBondContact OD1-CB 3.35Å; D11-R13 PolarHBondContact OD1-N 3.44Å; R13-N15 PolarHBondContact O-N 2.84Å |
| 14 | A | 93.7 | Very high | 94.1 | Very high | 16 Ų | 16 | 70 Ų | 70 | 13% | 0.132 | 35% | 0.35 | C | S | . | . | trans | -66 | 132.4 | -177 | 0 | 0 | 0 | 0 | 0 | 112.6 | V10 D11 V19 R57 | V10-A14 HydrophobicContact CB-CB 4.5Å; D11-A14 HydrophobicContact CB-CB 4.43Å; D11-A14 VanDerWaalsContact O-CB 3.28Å; D11-A14 WeakPolarHBondContact O-CB 3.26Å; D11-A14 PolarHBondContact O-N 2.74Å; A14-V19 HydrophobicContact CB-CG2 3.98Å; A14-R57 PolarHBondContact O-NE 3.47Å; A14-R57 PolarHBondContact O-NH2 3Å | ||
| 15 | N | 94.1 | Very high | 94.5 | Very high | 75 Ų | 75 | 71 Ų | 71 | 40% | 0.401 | 37% | 0.369 | S | S | . | . | trans | -92.8 | 171.2 | 173.2 | 69.4 | 41.7 | 0 | 0 | 0 | 111.2 | R13 T17 L18 V19 | R13-N15 PolarHBondContact O-N 2.84Å; N15-T17 VanDerWaalsContact C-N 3.33Å; N15-T17 PolarHBondContact O-N 3.44Å; N15-T17 PolarHBondContact OD1-N 3.04Å; N15-T17 VanDerWaalsContact OD1-N 3.1Å; N15-L18 PolarHBondContact O-N 2.89Å; N15-L18 WeakPolarHBondContact OD1-CG 3.45Å; N15-L18 PolarHBondContact OD1-N 3.19Å; N15-V19 WeakPolarHBondContact O-CG2 3.41Å; N15-V19 PolarHBondContact O-N 2.73Å | ||
| 16 | K | 96.5 | Very high | 94.5 | Very high | 104 Ų | 104 | 70.6 Ų | 70.6 | 45% | 0.452 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.4 | -38.2 | -177.2 | -70.6 | -172.6 | 171.8 | -156.5 | 0 | 113 | V19 K20 V34 I36 | K16-V19 PolarHBondContact O-N 2.99Å; K16-K20 WeakPolarHBondContact O-CB 2.93Å; K16-K20 PolarHBondContact O-N 2.88Å; K16-V34 VanDerWaalsContact CD-O 3.31Å; K16-V34 WeakPolarHBondContact CD-O 3.33Å; K16-V34 WeakPolarHBondContact CE-O 3.28Å; K16-V34 PolarHBondContact NZ-O 3.45Å; K16-I36 HydrophobicContact CB-CD1 4.28Å; K16-I36 HydrophobicContact CG-CD1 3.61Å; K16-I36 HydrophobicContact CG-CG1 3.96Å |
| 17 | T | 96.5 | Very high | 94.4 | Very high | 90 Ų | 90 | 73.5 Ų | 73.5 | 55% | 0.552 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -65.9 | -45.6 | -178.4 | -47.8 | 0 | 0 | 0 | 0 | 111.6 | N15 K20 Q21 | N15-T17 VanDerWaalsContact C-N 3.33Å; N15-T17 PolarHBondContact O-N 3.44Å; N15-T17 PolarHBondContact OD1-N 3.04Å; N15-T17 VanDerWaalsContact OD1-N 3.1Å; T17-K20 WeakPolarHBondContact O-CB 3.3Å; T17-K20 PolarHBondContact O-N 2.63Å; T17-Q21 WeakPolarHBondContact O-CG 3.33Å; T17-Q21 PolarHBondContact O-N 3.06Å |
| 18 | L | 96.3 | Very high | 94.4 | Very high | 92 Ų | 92 | 76.1 Ų | 76.1 | 48% | 0.482 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63 | -43.5 | 177.4 | -69.4 | 174.4 | 0 | 0 | 0 | 111.5 | N15 K20 Q21 A22 | N15-L18 PolarHBondContact O-N 2.89Å; N15-L18 WeakPolarHBondContact OD1-CG 3.45Å; N15-L18 PolarHBondContact OD1-N 3.19Å; L18-K20 VanDerWaalsContact C-N 3.33Å; L18-K20 PolarHBondContact O-N 3.12Å; L18-Q21 PolarHBondContact O-N 3.25Å; L18-A22 VanDerWaalsContact O-CB 3.23Å; L18-A22 WeakPolarHBondContact O-CB 3.5Å; L18-A22 PolarHBondContact O-N 3.47Å |
| 19 | V | 96.5 | Very high | 94.4 | Very high | 9 Ų | 9 | 74.6 Ų | 74.6 | 6% | 0.055 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 176.8 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | V10 A14 N15 K16 A22 V23 V34 I36 A59 V61 | V10-V19 HydrophobicContact CB-CG2 4.27Å; V10-V19 HydrophobicContact CG1-CG1 4.28Å; V10-V19 HydrophobicContact CG1-CG2 4Å; V10-V19 HydrophobicContact CG2-CG2 4.34Å; A14-V19 HydrophobicContact CB-CG2 3.98Å; N15-V19 WeakPolarHBondContact O-CG2 3.41Å; N15-V19 PolarHBondContact O-N 2.73Å; K16-V19 PolarHBondContact O-N 2.99Å; V19-A22 PolarHBondContact O-N 3.1Å; V19-V23 HydrophobicContact CG1-CG2 4.28Å; V19-V23 WeakPolarHBondContact O-CB 3.47Å; V19-V23 VanDerWaalsContact O-CG2 3.26Å; V19-V23 WeakPolarHBondContact O-CG2 3.23Å; V19-V23 PolarHBondContact O-N 3.16Å; V19-V34 HydrophobicContact CB-CG1 4.31Å; V19-V34 HydrophobicContact CG1-CG1 3.93Å; V19-I36 HydrophobicContact CG2-CD1 4.22Å; V19-A59 HydrophobicContact CG1-CB 3.85Å; V19-V61 HydrophobicContact CG1-CG2 4.26Å |
| 20 | K | 96.3 | Very high | 94.4 | Very high | 82 Ų | 82 | 75.5 Ų | 75.5 | 36% | 0.357 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -57.3 | -56.5 | 175.9 | -177.8 | 177.7 | 176.4 | 174.4 | 0 | 110.6 | K16 T17 L18 A22 V23 E24 V31 V34 | K16-K20 WeakPolarHBondContact O-CB 2.93Å; K16-K20 PolarHBondContact O-N 2.88Å; T17-K20 WeakPolarHBondContact O-CB 3.3Å; T17-K20 PolarHBondContact O-N 2.63Å; L18-K20 VanDerWaalsContact C-N 3.33Å; L18-K20 PolarHBondContact O-N 3.12Å; K20-A22 VanDerWaalsContact C-N 3.33Å; K20-A22 PolarHBondContact O-N 3.41Å; K20-V23 PolarHBondContact O-N 3.03Å; K20-E24 WeakPolarHBondContact CE-OE1 3.31Å; K20-E24 HydrophobicContact CG-CG 4.38Å; K20-E24 IonicContact NZ-OE1 3.4Å; K20-E24 VanDerWaalsContact O-CG 3.3Å; K20-E24 WeakPolarHBondContact O-CG 3.46Å; K20-E24 PolarHBondContact O-N 2.82Å; K20-V31 WeakPolarHBondContact CE-O 3.43Å; K20-V31 HydrophobicContact CG-CB 3.96Å; K20-V31 HydrophobicContact CG-CG1 4.05Å; K20-V31 PolarHBondContact NZ-O 3.37Å; K20-V34 HydrophobicContact CB-CG2 4.1Å |
| 21 | Q | 96.7 | Very high | 94.4 | Very high | 110 Ų | 110 | 74.4 Ų | 74.4 | 51% | 0.514 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -58.7 | -43.5 | -179.1 | -70.8 | 170.8 | -22.9 | 0 | 0 | 112.2 | T17 L18 V23 E24 A25 | T17-Q21 WeakPolarHBondContact O-CG 3.33Å; T17-Q21 PolarHBondContact O-N 3.06Å; L18-Q21 PolarHBondContact O-N 3.25Å; Q21-V23 PolarHBondContact O-N 2.85Å; Q21-E24 PolarHBondContact O-N 3.14Å; Q21-A25 VanDerWaalsContact O-CB 3.28Å; Q21-A25 WeakPolarHBondContact O-CB 3.38Å; Q21-A25 PolarHBondContact O-N 3.5Å |
| 22 | A | 95.9 | Very high | 94.4 | Very high | 59 Ų | 59 | 76.3 Ų | 76.3 | 49% | 0.488 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.5 | -40.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L18 V19 K20 A26 | L18-A22 VanDerWaalsContact O-CB 3.23Å; L18-A22 WeakPolarHBondContact O-CB 3.5Å; L18-A22 PolarHBondContact O-N 3.47Å; V19-A22 PolarHBondContact O-N 3.1Å; K20-A22 VanDerWaalsContact C-N 3.33Å; K20-A22 PolarHBondContact O-N 3.41Å; A22-A26 WeakPolarHBondContact O-CB 3.46Å; A22-A26 PolarHBondContact O-N 3.27Å |
| 23 | V | 94.1 | Very high | 94.6 | Very high | 10 Ų | 10 | 77.8 Ų | 77.8 | 6% | 0.061 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -70.8 | -41.6 | 178 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | F8 V19 K20 Q21 A25 A26 F27 V29 V31 V61 | F8-V23 HydrophobicContact CD2-CG2 4.45Å; F8-V23 HydrophobicContact CE2-CG2 4.4Å; V19-V23 HydrophobicContact CG1-CG2 4.28Å; V19-V23 WeakPolarHBondContact O-CB 3.47Å; V19-V23 VanDerWaalsContact O-CG2 3.26Å; V19-V23 WeakPolarHBondContact O-CG2 3.23Å; V19-V23 PolarHBondContact O-N 3.16Å; K20-V23 PolarHBondContact O-N 3.03Å; Q21-V23 PolarHBondContact O-N 2.85Å; V23-A25 VanDerWaalsContact C-N 3.33Å; V23-A25 PolarHBondContact O-N 2.97Å; V23-A26 PolarHBondContact O-N 2.82Å; V23-F27 HydrophobicContact CG1-CD2 4.16Å; V23-F27 PolarHBondContact O-N 2.88Å; V23-F27 VanDerWaalsContact O-N 3.15Å; V23-V29 HydrophobicContact CG1-CG2 3.98Å; V23-V31 HydrophobicContact CB-CG2 4.3Å; V23-V31 HydrophobicContact CG1-CG2 3.91Å; V23-V61 HydrophobicContact CG1-CG1 4.23Å; V23-V61 HydrophobicContact CG2-CG2 4.32Å |
| 24 | E | 95.1 | Very high | 94.8 | Very high | 60 Ų | 60 | 67.7 Ų | 67.7 | 28% | 0.28 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 176 | -67.7 | -178.6 | 152.8 | 0 | 0 | 111 | K20 Q21 D28 V29 V31 | K20-E24 WeakPolarHBondContact CE-OE1 3.31Å; K20-E24 HydrophobicContact CG-CG 4.38Å; K20-E24 IonicContact NZ-OE1 3.4Å; K20-E24 VanDerWaalsContact O-CG 3.3Å; K20-E24 WeakPolarHBondContact O-CG 3.46Å; K20-E24 PolarHBondContact O-N 2.82Å; Q21-E24 PolarHBondContact O-N 3.14Å; E24-D28 VanDerWaalsContact O-CA 3.23Å; E24-D28 WeakPolarHBondContact O-CA 3.47Å; E24-D28 PolarHBondContact O-N 3.47Å; E24-V29 WeakPolarHBondContact CA-O 3.42Å; E24-V29 WeakPolarHBondContact CG-O 3.43Å; E24-V31 HydrophobicContact CG-CB 4.09Å; E24-V31 HydrophobicContact CG-CG2 3.69Å; E24-V31 PolarHBondContact OE1-N 2.86Å; E24-V31 VanDerWaalsContact OE1-N 3.12Å |
| 25 | A | 94.5 | Very high | 94.9 | Very high | 77 Ų | 77 | 70.7 Ų | 70.7 | 64% | 0.636 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -74.8 | -34.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q21 V23 | Q21-A25 VanDerWaalsContact O-CB 3.28Å; Q21-A25 WeakPolarHBondContact O-CB 3.38Å; Q21-A25 PolarHBondContact O-N 3.5Å; V23-A25 VanDerWaalsContact C-N 3.33Å; V23-A25 PolarHBondContact O-N 2.97Å |
| 26 | A | 92.3 | Very high | 95 | Very high | 69 Ų | 69 | 68.9 Ų | 68.9 | 57% | 0.57 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -79.7 | -28.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A22 V23 | A22-A26 WeakPolarHBondContact O-CB 3.46Å; A22-A26 PolarHBondContact O-N 3.27Å; V23-A26 PolarHBondContact O-N 2.82Å |
| 27 | F | 91.5 | Very high | 94.9 | Very high | 85 Ų | 85 | 68.9 Ų | 68.9 | 37% | 0.373 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -121.1 | -0.3 | -173.7 | -62.7 | -76.4 | 0 | 0 | 0 | 113.9 | F8 V23 V29 I70 | F8-F27 AromaticContact CE1-CE2 3.95Å; F8-F27 HydrophobicContact CE1-CE2 3.95Å; F8-F27 HydrophobicContact CE1-CZ 4.11Å; F8-F27 HydrophobicContact CZ-CE2 4.1Å; V23-F27 HydrophobicContact CG1-CD2 4.16Å; V23-F27 PolarHBondContact O-N 2.88Å; V23-F27 VanDerWaalsContact O-N 3.15Å; F27-V29 HydrophobicContact CB-CG1 4.07Å; F27-V29 HydrophobicContact CB-CG2 4.08Å; F27-V29 WeakPolarHBondContact O-CG1 3.12Å; F27-V29 PolarHBondContact O-N 2.94Å; F27-I70 HydrophobicContact CB-CD1 4.44Å; F27-I70 HydrophobicContact CB-CG1 4.34Å; F27-I70 HydrophobicContact CD1-CG2 3.7Å; F27-I70 HydrophobicContact CD2-CD1 4.33Å; F27-I70 HydrophobicContact CE1-CG2 3.75Å; F27-I70 HydrophobicContact CG-CD1 4.27Å; F27-I70 HydrophobicContact CG-CG1 4.38Å; F27-I70 HydrophobicContact CG-CG2 4.25Å; F27-I70 HydrophobicContact CZ-CG2 4.34Å |
| 28 | D | 91.8 | Very high | 94.7 | Very high | 127 Ų | 127 | 69.1 Ų | 69.1 | 68% | 0.679 | 37% | 0.371 | S | S | * | . | trans | 51.8 | 41.6 | -177.2 | -62.7 | -54.7 | 0 | 0 | 0 | 113.2 | E24 | E24-D28 VanDerWaalsContact O-CA 3.23Å; E24-D28 WeakPolarHBondContact O-CA 3.47Å; E24-D28 PolarHBondContact O-N 3.47Å | ||
| 29 | V | 93.9 | Very high | 94.6 | Very high | 9 Ų | 9 | 66.1 Ų | 66.1 | 6% | 0.055 | 36% | 0.359 | C | S | . | . | trans | -110.9 | 161.9 | 179.2 | -63.8 | 0 | 0 | 0 | 0 | 110.8 | V23 E24 F27 V31 L63 K68 I70 | V23-V29 HydrophobicContact CG1-CG2 3.98Å; E24-V29 WeakPolarHBondContact CA-O 3.42Å; E24-V29 WeakPolarHBondContact CG-O 3.43Å; F27-V29 HydrophobicContact CB-CG1 4.07Å; F27-V29 HydrophobicContact CB-CG2 4.08Å; F27-V29 WeakPolarHBondContact O-CG1 3.12Å; F27-V29 PolarHBondContact O-N 2.94Å; V29-V31 HydrophobicContact CG2-CG2 4.39Å; V29-L63 HydrophobicContact CB-CD1 4.3Å; V29-L63 HydrophobicContact CB-CD2 4.12Å; V29-L63 HydrophobicContact CG1-CD1 4.2Å; V29-L63 HydrophobicContact CG2-CD2 3.7Å; V29-K68 HydrophobicContact CG1-CB 4.42Å; V29-K68 WeakPolarHBondContact CG1-O 3.46Å; V29-I70 HydrophobicContact CG1-CG1 4.05Å; V29-I70 HydrophobicContact CG2-CD1 4.46Å | ||
| 30 | K | 94.5 | Very high | 94.4 | Very high | 120 Ų | 120 | 74.6 Ų | 74.6 | 52% | 0.522 | 40% | 0.395 | S | S | . | . | trans | -102 | 126.8 | 169.3 | -53.9 | 176.9 | -173 | 164 | 0 | 110.4 | T64 D66 S67 | K30-T64 HydrophobicContact CB-CG2 4.15Å; K30-T64 PolarHBondContact O-N 2.91Å; K30-T64 PolarHBondContact O-OG1 2.8Å; K30-D66 IonicContact NZ-OD2 3.99Å; K30-D66 PolarHBondContact NZ-OD2 2.89Å; K30-S67 WeakPolarHBondContact CA-OG 3.45Å; K30-S67 VanDerWaalsContact CB-OG 3.26Å; K30-S67 WeakPolarHBondContact CB-OG 3.31Å; K30-S67 PolarHBondContact N-OG 2.91Å; K30-S67 PolarHBondContact O-OG 3.48Å | ||
| 31 | V | 94.7 | Very high | 94.3 | Very high | 5 Ų | 5 | 72.5 Ų | 72.5 | 3% | 0.03 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 121.6 | -176.4 | 172.4 | 0 | 0 | 0 | 0 | 110.6 | K20 V23 E24 V29 V34 V61 L63 | K20-V31 WeakPolarHBondContact CE-O 3.43Å; K20-V31 HydrophobicContact CG-CB 3.96Å; K20-V31 HydrophobicContact CG-CG1 4.05Å; K20-V31 PolarHBondContact NZ-O 3.37Å; V23-V31 HydrophobicContact CB-CG2 4.3Å; V23-V31 HydrophobicContact CG1-CG2 3.91Å; E24-V31 HydrophobicContact CG-CB 4.09Å; E24-V31 HydrophobicContact CG-CG2 3.69Å; E24-V31 PolarHBondContact OE1-N 2.86Å; E24-V31 VanDerWaalsContact OE1-N 3.12Å; V29-V31 HydrophobicContact CG2-CG2 4.39Å; V31-V34 HydrophobicContact CG1-CG2 3.61Å; V31-V61 HydrophobicContact CB-CG1 4.29Å; V31-V61 HydrophobicContact CG1-CG1 3.6Å; V31-V61 HydrophobicContact CG2-CG1 3.73Å; V31-L63 HydrophobicContact CG2-CD2 3.96Å |
| 32 | K | 94.5 | Very high | 94.2 | Very high | 134 Ų | 134 | 74.5 Ų | 74.5 | 58% | 0.583 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.9 | -52 | 175.4 | -175 | 174.7 | -177 | 171.6 | 0 | 111.2 | T62 T64 | K32-T62 WeakPolarHBondContact CA-O 3.26Å; K32-T62 HydrophobicContact CB-CG2 4.5Å; K32-T62 WeakPolarHBondContact CB-O 3.46Å; K32-T62 HydrophobicContact CD-CG2 4.46Å; K32-T62 PolarHBondContact N-O 3.47Å; K32-T64 HydrophobicContact CB-CG2 3.88Å |
| 33 | N | 94.4 | Very high | 94.2 | Very high | 81 Ų | 81 | 75.2 Ų | 75.2 | 43% | 0.433 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 153.4 | -177.4 | -166.8 | 10.1 | 0 | 0 | 0 | 112 | T62 | N33-T62 PolarHBondContact N-O 2.9Å; N33-T62 VanDerWaalsContact N-O 3.16Å; N33-T62 PolarHBondContact O-N 2.85Å |
| 34 | V | 96.3 | Very high | 94.3 | Very high | 7 Ų | 7 | 80.6 Ų | 80.6 | 4% | 0.042 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 120.8 | 175.7 | -175.6 | 0 | 0 | 0 | 0 | 109.9 | K16 V19 K20 V31 I36 A59 V61 | K16-V34 VanDerWaalsContact CD-O 3.31Å; K16-V34 WeakPolarHBondContact CD-O 3.33Å; K16-V34 WeakPolarHBondContact CE-O 3.28Å; K16-V34 PolarHBondContact NZ-O 3.45Å; V19-V34 HydrophobicContact CB-CG1 4.31Å; V19-V34 HydrophobicContact CG1-CG1 3.93Å; K20-V34 HydrophobicContact CB-CG2 4.1Å; V31-V34 HydrophobicContact CG1-CG2 3.61Å; V34-I36 HydrophobicContact CG1-CD1 4.44Å; V34-I36 HydrophobicContact CG1-CG1 3.99Å; V34-A59 HydrophobicContact CG1-CB 4.35Å; V34-V61 HydrophobicContact CG1-CG2 4.25Å; V34-V61 HydrophobicContact CG2-CG1 4.39Å; V34-V61 HydrophobicContact CG2-CG2 4.3Å |
| 35 | N | 95.9 | Very high | 94.4 | Very high | 79 Ų | 79 | 86.3 Ų | 86.3 | 42% | 0.422 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 125.7 | 173.2 | -71.3 | -8.8 | 0 | 0 | 0 | 109.3 | A59 V60 | N35-A59 CarbonylContact O-C 3.55Å; N35-A59 WeakPolarHBondContact O-CA 3.32Å; N35-V60 HydrophobicContact CB-CB 4.32Å; N35-V60 PolarHBondContact N-O 3.24Å; N35-V60 PolarHBondContact O-N 3.49Å |
| 36 | I | 96 | Very high | 94.3 | Very high | 37 Ų | 37 | 89.4 Ų | 89.4 | 19% | 0.19 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 134.2 | -177.8 | -65.4 | -176.7 | 0 | 0 | 0 | 109.2 | K16 V19 V34 R57 K58 A59 | K16-I36 HydrophobicContact CB-CD1 4.28Å; K16-I36 HydrophobicContact CG-CD1 3.61Å; K16-I36 HydrophobicContact CG-CG1 3.96Å; V19-I36 HydrophobicContact CG2-CD1 4.22Å; V34-I36 HydrophobicContact CG1-CD1 4.44Å; V34-I36 HydrophobicContact CG1-CG1 3.99Å; I36-R57 HydrophobicContact CG2-CG 3.67Å; I36-K58 WeakPolarHBondContact CA-O 3.33Å; I36-A59 HydrophobicContact CG1-CB 4.23Å |
| 37 | M | 94.7 | Very high | 94.3 | Very high | 105 Ų | 105 | 89.3 Ų | 89.3 | 52% | 0.517 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 140.1 | 175.4 | 63.8 | -173.4 | -57.3 | 0 | 0 | 111 | K58 | M37-K58 HydrophobicContact CG-CB 3.71Å; M37-K58 PolarHBondContact N-O 2.94Å; M37-K58 PolarHBondContact O-N 3.49Å; M37-K58 HydrophobicContact SD-CB 4.31Å; M37-K58 HydrophobicContact SD-CD 4.37Å |
| 38 | N | 93.6 | Very high | 94.4 | Very high | 95 Ų | 95 | 93.5 Ų | 93.5 | 51% | 0.508 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 122.8 | 174.7 | -69.3 | -43.1 | 0 | 0 | 0 | 109.5 | R57 | N38-R57 WeakPolarHBondContact OD1-CG 3.34Å |
| 39 | A | 92.8 | Very high | 94.5 | Very high | 28 Ų | 28 | 95 Ų | 95 | 23% | 0.231 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 116 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | R56 | A39-R56 HydrophobicContact CB-CB 4.22Å; A39-R56 PolarHBondContact N-O 2.91Å; A39-R56 PolarHBondContact O-N 2.99Å |
| 40 | K | 92.9 | Very high | 94.6 | Very high | 187 Ų | 187 | 102.3 Ų | 102.3 | 81% | 0.813 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 136 | 178.4 | -169.4 | 179.1 | 178.4 | 176.1 | 0 | 110.1 | ||
| 41 | P | 94.5 | Very high | 94.6 | Very high | 39 Ų | 39 | 98.3 Ų | 98.3 | 25% | 0.253 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -63 | 138.9 | 171.6 | 29.3 | -37.4 | 0 | 0 | 0 | 110.6 | F52 T53 | P41-F52 HydrophobicContact CB-CB 4.12Å; P41-F52 HydrophobicContact CB-CD1 4.43Å; P41-T53 WeakPolarHBondContact CB-O 3.13Å |
| 42 | K | 95.3 | Very high | 94.5 | Very high | 151 Ų | 151 | 105.5 Ų | 105.5 | 66% | 0.657 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -97.5 | 135.4 | 177.7 | -66.2 | -174.1 | 178.1 | -175.2 | 0 | 109.4 | K44 F52 T53 | K42-K44 PolarHBondContact O-N 3.44Å; K42-F52 CarbonylContact O-C 3.55Å; K42-F52 WeakPolarHBondContact O-CA 3.44Å; K42-T53 HydrophobicContact CB-CG2 4.36Å; K42-T53 PolarHBondContact N-OG1 2.92Å; K42-T53 PolarHBondContact O-N 3.48Å |
| 43 | A | 95.4 | Very high | 94.5 | Very high | 74 Ų | 74 | 101.8 Ų | 101.8 | 61% | 0.612 | 52% | 0.516 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 135 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | G51 F52 | A43-G51 CarbonylContact C-O 3.59Å; A43-G51 WeakPolarHBondContact CA-O 3.36Å; A43-F52 HydrophobicContact CB-CD1 4.15Å; A43-F52 HydrophobicContact CB-CE1 3.84Å; A43-F52 HydrophobicContact CB-CZ 4.49Å |
| 44 | K | 96.2 | Very high | 94.3 | Very high | 124 Ų | 124 | 105.3 Ų | 105.3 | 54% | 0.539 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 149.4 | 179.4 | -70.2 | -65.2 | -174.1 | 174.1 | 0 | 108.9 | K42 G51 T53 | K42-K44 PolarHBondContact O-N 3.44Å; K44-G51 PolarHBondContact N-O 3.5Å; K44-G51 PolarHBondContact O-N 2.98Å; K44-T53 HydrophobicContact CG-CG2 3.65Å |
| 45 | R | 96 | Very high | 94.2 | Very high | 179 Ų | 179 | 110.2 Ų | 110.2 | 68% | 0.675 | 55% | 0.548 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 130.1 | 176.1 | -178.7 | 177.9 | 68.7 | -176 | 2.6 | 108.8 | G47 Y49 Q50 | R45-G47 WeakPolarHBondContact CD-O 3.22Å; R45-G47 VanDerWaalsContact CG-O 3.23Å; R45-G47 WeakPolarHBondContact CG-O 3.23Å; R45-Y49 CarbonylContact C-O 3.53Å; R45-Y49 VanDerWaalsContact CA-O 3.31Å; R45-Y49 WeakPolarHBondContact CA-O 3.37Å; R45-Y49 WeakPolarHBondContact CG-O 3.34Å; R45-Q50 HydrophobicContact CB-CG 4.39Å; R45-Q50 HydrophobicContact CG-CG 4.04Å |
| 46 | M | 92.8 | Very high | 94.1 | Very high | 142 Ų | 142 | 111.8 Ų | 111.8 | 70% | 0.7 | 55% | 0.548 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 95.1 | 174.1 | -58 | -51.4 | -66.7 | 0 | 0 | 108 | K48 Y49 | M46-K48 PolarHBondContact O-N 2.82Å; M46-Y49 PolarHBondContact N-O 2.74Å; M46-Y49 PolarHBondContact O-N 2.76Å |
| 47 | G | 92.5 | Very high | 94.1 | Very high | 68 Ų | 68 | 112.3 Ų | 112.3 | 70% | 0.701 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | -122 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | R45 Y49 | R45-G47 WeakPolarHBondContact CD-O 3.22Å; R45-G47 VanDerWaalsContact CG-O 3.23Å; R45-G47 WeakPolarHBondContact CG-O 3.23Å; G47-Y49 VanDerWaalsContact C-N 3.31Å |
| 48 | K | 94 | Very high | 94.1 | Very high | 173 Ų | 173 | 111 Ų | 111 | 75% | 0.752 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -19.1 | 177 | 69.7 | -179.2 | -176.8 | -179.7 | 0 | 114.1 | M46 | M46-K48 PolarHBondContact O-N 2.82Š|
| 49 | Y | 94.7 | Very high | 94.3 | Very high | 157 Ų | 157 | 106.5 Ų | 106.5 | 62% | 0.616 | 51% | 0.514 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 128.4 | -175.7 | -57.4 | -67.8 | 0 | 0 | 0 | 111 | R45 M46 G47 | R45-Y49 CarbonylContact C-O 3.53Å; R45-Y49 VanDerWaalsContact CA-O 3.31Å; R45-Y49 WeakPolarHBondContact CA-O 3.37Å; R45-Y49 WeakPolarHBondContact CG-O 3.34Å; M46-Y49 PolarHBondContact N-O 2.74Å; M46-Y49 PolarHBondContact O-N 2.76Å; G47-Y49 VanDerWaalsContact C-N 3.31Å |
| 50 | Q | 94.2 | Very high | 94.4 | Very high | 164 Ų | 164 | 106.8 Ų | 106.8 | 77% | 0.766 | 51% | 0.514 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 139.5 | 170 | -60.7 | -177.2 | 19.1 | 0 | 0 | 108.9 | R45 | R45-Q50 HydrophobicContact CB-CG 4.39Å; R45-Q50 HydrophobicContact CG-CG 4.04Å |
| 51 | G | 94.4 | Very high | 94.4 | Very high | 36 Ų | 36 | 98 Ų | 98 | 37% | 0.371 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.5 | -167.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A43 K44 | A43-G51 CarbonylContact C-O 3.59Å; A43-G51 WeakPolarHBondContact CA-O 3.36Å; K44-G51 PolarHBondContact N-O 3.5Å; K44-G51 PolarHBondContact O-N 2.98Å |
| 52 | F | 94.2 | Very high | 94.4 | Very high | 156 Ų | 156 | 97 Ų | 97 | 68% | 0.684 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 149 | -179.5 | -71.5 | -85.8 | 0 | 0 | 0 | 110.2 | P41 K42 A43 | P41-F52 HydrophobicContact CB-CB 4.12Å; P41-F52 HydrophobicContact CB-CD1 4.43Å; K42-F52 CarbonylContact O-C 3.55Å; K42-F52 WeakPolarHBondContact O-CA 3.44Å; A43-F52 HydrophobicContact CB-CD1 4.15Å; A43-F52 HydrophobicContact CB-CE1 3.84Å; A43-F52 HydrophobicContact CB-CZ 4.49Å |
| 53 | T | 93 | Very high | 94.4 | Very high | 56 Ų | 56 | 90.1 Ų | 90.1 | 34% | 0.344 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 156.7 | 164.8 | 63.8 | 0 | 0 | 0 | 0 | 110.1 | P41 K42 K44 K55 | P41-T53 WeakPolarHBondContact CB-O 3.13Å; K42-T53 HydrophobicContact CB-CG2 4.36Å; K42-T53 PolarHBondContact N-OG1 2.92Å; K42-T53 PolarHBondContact O-N 3.48Å; K44-T53 HydrophobicContact CG-CG2 3.65Å; T53-K55 PolarHBondContact O-N 3.5Å |
| 54 | K | 91.1 | Very high | 94.3 | Very high | 154 Ų | 154 | 88 Ų | 88 | 67% | 0.67 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -54.3 | 136.2 | 173.6 | -167.9 | -174.9 | 174.6 | -163 | 0 | 111.3 | E9 | E9-K54 IonicContact OE1-NZ 3.82Å; E9-K54 PolarHBondContact OE1-NZ 3.15Å |
| 55 | K | 93.1 | Very high | 93.9 | Very high | 110 Ų | 110 | 89.8 Ų | 89.8 | 48% | 0.478 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 131 | 167.2 | -179.2 | -179.7 | 179.7 | -177.7 | 0 | 108.3 | T12 T53 | T12-K55 HydrophobicContact CG2-CD 4.25Å; T12-K55 HydrophobicContact CG2-CG 4.24Å; T53-K55 PolarHBondContact O-N 3.5Å |
| 56 | R | 94.7 | Very high | 93.4 | Very high | 113 Ų | 113 | 86.2 Ų | 86.2 | 43% | 0.426 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 148.5 | 178.9 | -65.8 | -173 | -80.4 | 175.6 | -5.3 | 110.1 | E9 A39 | E9-R56 HydrophobicContact CG-CG 4.5Å; E9-R56 WeakPolarHBondContact OE2-CD 3.45Å; E9-R56 IonicContact OE2-NH1 2.63Å; A39-R56 HydrophobicContact CB-CB 4.22Å; A39-R56 PolarHBondContact N-O 2.91Å; A39-R56 PolarHBondContact O-N 2.99Å |
| 57 | R | 95.3 | Very high | 93.1 | Very high | 48 Ų | 48 | 79.9 Ų | 79.9 | 18% | 0.181 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 123.9 | 167.7 | -172.4 | 170.2 | 177.8 | 124 | 3.8 | 106.6 | E9 V10 D11 T12 A14 I36 N38 | E9-R57 WeakPolarHBondContact CA-O 3.4Å; V10-R57 HydrophobicContact CG2-CB 3.96Å; V10-R57 HydrophobicContact CG2-CG 3.73Å; V10-R57 PolarHBondContact N-O 3.35Å; D11-R57 WeakPolarHBondContact O-CD 3.34Å; T12-R57 WeakPolarHBondContact O-CD 3.28Å; T12-R57 PolarHBondContact O-NH1 3.3Å; A14-R57 PolarHBondContact O-NE 3.47Å; A14-R57 PolarHBondContact O-NH2 3Å; I36-R57 HydrophobicContact CG2-CG 3.67Å; N38-R57 WeakPolarHBondContact OD1-CG 3.34Å |
| 58 | K | 95.7 | Very high | 92.7 | Very high | 77 Ų | 77 | 83.9 Ų | 83.9 | 34% | 0.335 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 133.5 | 179.5 | -60.9 | -177.3 | 176.3 | -170.6 | 0 | 108.3 | T7 F8 I36 M37 | T7-K58 HydrophobicContact CG2-CB 4.22Å; T7-K58 HydrophobicContact CG2-CD 4.47Å; F8-K58 CarbonylContact O-C 3.58Å; F8-K58 WeakPolarHBondContact O-CA 3.49Å; I36-K58 WeakPolarHBondContact CA-O 3.33Å; M37-K58 HydrophobicContact CG-CB 3.71Å; M37-K58 PolarHBondContact N-O 2.94Å; M37-K58 PolarHBondContact O-N 3.49Å; M37-K58 HydrophobicContact SD-CB 4.31Å; M37-K58 HydrophobicContact SD-CD 4.37Å |
| 59 | A | 96.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 82.2 Ų | 82.2 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 116.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | T7 F8 V10 V19 V34 N35 I36 V61 | T7-A59 CarbonylContact C-O 3.5Å; T7-A59 WeakPolarHBondContact CA-O 2.97Å; F8-A59 PolarHBondContact N-O 3.19Å; F8-A59 PolarHBondContact O-N 2.91Å; V10-A59 HydrophobicContact CG1-CB 3.79Å; V10-A59 HydrophobicContact CG2-CB 4.13Å; V19-A59 HydrophobicContact CG1-CB 3.85Å; V34-A59 HydrophobicContact CG1-CB 4.35Å; N35-A59 CarbonylContact O-C 3.55Å; N35-A59 WeakPolarHBondContact O-CA 3.32Å; I36-A59 HydrophobicContact CG1-CB 4.23Å; A59-V61 HydrophobicContact CB-CG2 4.47Å |
| 60 | V | 95 | Very high | 91.8 | Very high | 35 Ų | 35 | 75.2 Ų | 75.2 | 21% | 0.212 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 110.1 | 168.6 | -176.1 | 0 | 0 | 0 | 0 | 107.4 | K5 Y6 T7 N35 | K5-V60 HydrophobicContact CB-CG1 4.37Å; Y6-V60 CarbonylContact O-C 3.49Å; Y6-V60 VanDerWaalsContact O-CA 3.32Å; Y6-V60 WeakPolarHBondContact O-CA 2.98Å; T7-V60 HydrophobicContact CG2-CG2 4.32Å; N35-V60 HydrophobicContact CB-CB 4.32Å; N35-V60 PolarHBondContact N-O 3.24Å; N35-V60 PolarHBondContact O-N 3.49Å |
| 61 | V | 94.5 | Very high | 91.2 | Very high | 1 Ų | 1 | 75.7 Ų | 75.7 | 1% | 0.006 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 124.3 | -178 | -178.1 | 0 | 0 | 0 | 0 | 108.2 | K5 Y6 F8 V19 V23 V31 V34 A59 L63 | K5-V61 CarbonylContact C-O 3.57Å; K5-V61 WeakPolarHBondContact CA-O 3.38Å; Y6-V61 PolarHBondContact N-O 2.86Å; Y6-V61 PolarHBondContact O-N 3.05Å; F8-V61 HydrophobicContact CD2-CB 4.37Å; F8-V61 HydrophobicContact CD2-CG2 3.88Å; F8-V61 HydrophobicContact CE2-CB 4.26Å; F8-V61 HydrophobicContact CE2-CG2 4.19Å; V19-V61 HydrophobicContact CG1-CG2 4.26Å; V23-V61 HydrophobicContact CG1-CG1 4.23Å; V23-V61 HydrophobicContact CG2-CG2 4.32Å; V31-V61 HydrophobicContact CB-CG1 4.29Å; V31-V61 HydrophobicContact CG1-CG1 3.6Å; V31-V61 HydrophobicContact CG2-CG1 3.73Å; V34-V61 HydrophobicContact CG1-CG2 4.25Å; V34-V61 HydrophobicContact CG2-CG1 4.39Å; V34-V61 HydrophobicContact CG2-CG2 4.3Å; A59-V61 HydrophobicContact CB-CG2 4.47Å; V61-L63 HydrophobicContact CG1-CD2 4.11Å |
| 62 | T | 94.3 | Very high | 90.3 | Very high | 20 Ų | 20 | 78.2 Ų | 78.2 | 12% | 0.123 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 121.1 | 173.2 | -49.3 | 0 | 0 | 0 | 0 | 107.8 | K5 K32 N33 | K5-T62 HydrophobicContact CG-CG2 4.01Å; K32-T62 WeakPolarHBondContact CA-O 3.26Å; K32-T62 HydrophobicContact CB-CG2 4.5Å; K32-T62 WeakPolarHBondContact CB-O 3.46Å; K32-T62 HydrophobicContact CD-CG2 4.46Å; K32-T62 PolarHBondContact N-O 3.47Å; N33-T62 PolarHBondContact N-O 2.9Å; N33-T62 VanDerWaalsContact N-O 3.16Å; N33-T62 PolarHBondContact O-N 2.85Å |
| 63 | L | 93.8 | Very high | 89.5 | Confident | 5 Ų | 5 | 79.4 Ų | 79.4 | 3% | 0.026 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 163.3 | 174.3 | -54.6 | -175.8 | 0 | 0 | 0 | 110.9 | K4 Y6 V29 V31 V61 I70 | K4-L63 HydrophobicContact CB-CB 4.11Å; K4-L63 PolarHBondContact O-N 2.82Å; Y6-L63 HydrophobicContact CD2-CD1 3.9Å; Y6-L63 HydrophobicContact CD2-CG 3.99Å; Y6-L63 HydrophobicContact CE2-CD1 3.46Å; Y6-L63 VanDerWaalsContact CE2-CD1 3.46Å; Y6-L63 HydrophobicContact CE2-CG 3.95Å; V29-L63 HydrophobicContact CB-CD1 4.3Å; V29-L63 HydrophobicContact CB-CD2 4.12Å; V29-L63 HydrophobicContact CG1-CD1 4.2Å; V29-L63 HydrophobicContact CG2-CD2 3.7Å; V31-L63 HydrophobicContact CG2-CD2 3.96Å; V61-L63 HydrophobicContact CG1-CD2 4.11Å; L63-I70 HydrophobicContact CD1-CD1 3.96Å; L63-I70 HydrophobicContact CD1-CG1 3.92Å; L63-I70 HydrophobicContact CD2-CD1 4.39Å |
| 64 | T | 93.3 | Very high | 88.5 | Confident | 30 Ų | 30 | 83.9 Ų | 83.9 | 18% | 0.184 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 159.7 | 168.5 | 62.7 | 0 | 0 | 0 | 0 | 110.9 | K30 K32 D66 S67 | K30-T64 HydrophobicContact CB-CG2 4.15Å; K30-T64 PolarHBondContact O-N 2.91Å; K30-T64 PolarHBondContact O-OG1 2.8Å; K32-T64 HydrophobicContact CB-CG2 3.88Å; T64-D66 VanDerWaalsContact C-N 3.28Å; T64-D66 WeakPolarHBondContact CB-OD1 3.44Å; T64-D66 PolarHBondContact O-N 2.82Å; T64-D66 PolarHBondContact OG1-OD1 3.45Å; T64-S67 WeakPolarHBondContact O-CB 3.23Å; T64-S67 PolarHBondContact O-N 3.42Å; T64-S67 PolarHBondContact OG1-OG 2.79Å |
| 65 | E | 88 | Confident | 87.3 | Confident | 161 Ų | 161 | 81.6 Ų | 81.6 | 75% | 0.752 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -33.4 | -179.3 | -71.4 | 161.7 | -147.8 | 0 | 0 | 112 | K4 S67 | K4-E65 PolarHBondContact NZ-O 3.12Å; E65-S67 VanDerWaalsContact C-N 3.29Å; E65-S67 PolarHBondContact O-N 3.01Å |
| 66 | D | 87.3 | Confident | 85.3 | Confident | 104 Ų | 104 | 88.9 Ų | 88.9 | 56% | 0.556 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -9.3 | 177.2 | 65.4 | -47.8 | 0 | 0 | 0 | 114.1 | K30 T64 | K30-D66 IonicContact NZ-OD2 3.99Å; K30-D66 PolarHBondContact NZ-OD2 2.89Å; T64-D66 VanDerWaalsContact C-N 3.28Å; T64-D66 WeakPolarHBondContact CB-OD1 3.44Å; T64-D66 PolarHBondContact O-N 2.82Å; T64-D66 PolarHBondContact OG1-OD1 3.45Å |
| 67 | S | 84.7 | Confident | 84.8 | Confident | 10 Ų | 10 | 87.7 Ų | 87.7 | 7% | 0.07 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -78.5 | 149.4 | -176.6 | -74.2 | 0 | 0 | 0 | 0 | 113.4 | K4 K30 T64 E65 | K4-S67 PolarHBondContact NZ-O 3.4Å; K30-S67 WeakPolarHBondContact CA-OG 3.45Å; K30-S67 VanDerWaalsContact CB-OG 3.26Å; K30-S67 WeakPolarHBondContact CB-OG 3.31Å; K30-S67 PolarHBondContact N-OG 2.91Å; K30-S67 PolarHBondContact O-OG 3.48Å; T64-S67 WeakPolarHBondContact O-CB 3.23Å; T64-S67 PolarHBondContact O-N 3.42Å; T64-S67 PolarHBondContact OG1-OG 2.79Å; E65-S67 VanDerWaalsContact C-N 3.29Å; E65-S67 PolarHBondContact O-N 3.01Å |
| 68 | K | 84.9 | Confident | 84.3 | Confident | 151 Ų | 151 | 89.8 Ų | 89.8 | 66% | 0.657 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -56.7 | 144 | 167.5 | -62.8 | 178.8 | -176.6 | 173.8 | 0 | 110.2 | V29 | V29-K68 HydrophobicContact CG1-CB 4.42Å; V29-K68 WeakPolarHBondContact CG1-O 3.46Å |
| 69 | E | 84.3 | Confident | 83.6 | Confident | 138 Ų | 138 | 90.5 Ų | 90.5 | 65% | 0.645 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -75.8 | 142.2 | 173.2 | -64.4 | -173.8 | 173.6 | 0 | 0 | 110 | Q71 | E69-Q71 PolarHBondContact O-N 2.88Š|
| 70 | I | 85.6 | Confident | 82.9 | Confident | 11 Ų | 11 | 95.8 Ų | 95.8 | 6% | 0.056 | 49% | 0.486 | C | S | . | . | trans | -84.8 | 115.4 | 175.5 | -56.6 | 172 | 0 | 0 | 0 | 107.3 | Y6 F8 F27 V29 L63 I72 | Y6-I70 HydrophobicContact CD1-CB 4.21Å; Y6-I70 HydrophobicContact CD2-CD1 4.01Å; Y6-I70 HydrophobicContact CE1-CB 3.87Å; Y6-I70 WeakPolarHBondContact CE1-O 3.49Å; Y6-I70 HydrophobicContact CE2-CB 4.35Å; Y6-I70 HydrophobicContact CE2-CD1 4.31Å; Y6-I70 HydrophobicContact CE2-CG1 4.32Å; Y6-I70 HydrophobicContact CG-CD1 4.16Å; Y6-I70 PolarHBondContact OH-N 2.87Å; Y6-I70 VanDerWaalsContact OH-N 3.14Å; F8-I70 HydrophobicContact CE2-CD1 4.49Å; F8-I70 HydrophobicContact CZ-CD1 3.99Å; F27-I70 HydrophobicContact CB-CD1 4.44Å; F27-I70 HydrophobicContact CB-CG1 4.34Å; F27-I70 HydrophobicContact CD1-CG2 3.7Å; F27-I70 HydrophobicContact CD2-CD1 4.33Å; F27-I70 HydrophobicContact CE1-CG2 3.75Å; F27-I70 HydrophobicContact CG-CD1 4.27Å; F27-I70 HydrophobicContact CG-CG1 4.38Å; F27-I70 HydrophobicContact CG-CG2 4.25Å; F27-I70 HydrophobicContact CZ-CG2 4.34Å; V29-I70 HydrophobicContact CG1-CG1 4.05Å; V29-I70 HydrophobicContact CG2-CD1 4.46Å; L63-I70 HydrophobicContact CD1-CD1 3.96Å; L63-I70 HydrophobicContact CD1-CG1 3.92Å; L63-I70 HydrophobicContact CD2-CD1 4.39Å; I70-I72 HydrophobicContact CB-CD1 4.38Å; I70-I72 HydrophobicContact CG2-CD1 3.47Å; I70-I72 VanDerWaalsContact CG2-CD1 3.47Å; I70-I72 HydrophobicContact CG2-CG1 4.18Å; I70-I72 PolarHBondContact O-N 2.82Å | ||
| 71 | Q | 80.8 | Confident | 82.1 | Confident | 174 Ų | 174 | 99.6 Ų | 99.6 | 81% | 0.813 | 50% | 0.503 | S | S | * | . | trans | -76.7 | 110.7 | 173.2 | -66.9 | 177.9 | -20.3 | 0 | 0 | 108.6 | E69 | E69-Q71 PolarHBondContact O-N 2.88Š| ||
| 72 | I | 77.1 | Confident | 81.3 | Confident | 89 Ų | 89 | 106.2 Ų | 106.2 | 46% | 0.456 | 54% | 0.536 | S | S | . | . | trans | -102.4 | -29.7 | -178.6 | -57.3 | -66.4 | 0 | 0 | 0 | 111.6 | Y6 I70 | Y6-I72 HydrophobicContact CD1-CG1 4.17Å; Y6-I72 HydrophobicContact CE1-CG1 4.31Å; I70-I72 HydrophobicContact CB-CD1 4.38Å; I70-I72 HydrophobicContact CG2-CD1 3.47Å; I70-I72 VanDerWaalsContact CG2-CD1 3.47Å; I70-I72 HydrophobicContact CG2-CG1 4.18Å; I70-I72 PolarHBondContact O-N 2.82Å | ||
| 73 | F | 76.5 | Confident | 80.3 | Confident | 180 Ų | 180 | 112.4 Ų | 112.4 | 79% | 0.789 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -116 | 120 | 177.5 | -58 | -77.3 | 0 | 0 | 0 | 106.9 | A75 | F73-A75 PolarHBondContact O-N 3.04Š|
| 74 | D | 72.3 | Confident | 79.3 | Confident | 151 Ų | 151 | 120.6 Ų | 120.6 | 81% | 0.807 | 61% | 0.607 | S | S | * | * | trans | -63.6 | 121.1 | 157.8 | -71 | -42.9 | 0 | 0 | 0 | 105.9 | E76 | D74-E76 PolarHBondContact O-N 3.26Š| ||
| 75 | A | 65.9 | Low | 78.1 | Confident | 106 Ų | 106 | 128.2 Ų | 128.2 | 88% | 0.876 | 64% | 0.642 | S | S | * | * | trans | -68 | 100.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | F73 | F73-A75 PolarHBondContact O-N 3.04Š| ||
| 76 | E | 50.3 | Low | 77.2 | Confident | 263 Ų | 263 | 125.2 Ų | 125.2 | 100% | 1.229 | 63% | 0.632 | S | S | * | * | trans | -78.8 | 0 | 164.6 | -155.2 | 177.7 | -167.5 | 0 | 0 | 110.1 | D74 | D74-E76 PolarHBondContact O-N 3.26Š|
Retrieved 76 of 76 residues in 30 ms
(Link to these results)