| 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 | 49.2 | Very low | 83.3 | Confident | 194 Ų | 194 | 73.5 Ų | 73.5 | 96% | 0.956 | 44% | 0.437 | S | S | * | . | 0 | 117.9 | 0 | -65.8 | -160.8 | -81.8 | 0 | 0 | 107.5 | |||||
| 2 | S | 55.9 | Low | 84.2 | Confident | 107 Ų | 107 | 73.9 Ų | 73.9 | 75% | 0.748 | 43% | 0.431 | S | S | * | . | trans | -76.8 | 126.3 | 162.7 | 30.9 | 0 | 0 | 0 | 0 | 106.4 | G4 | S2-G4 PolarHBondContact O-N 3.29Š| ||
| 3 | S | 64.4 | Low | 85.1 | Confident | 38 Ų | 38 | 72.8 Ų | 72.8 | 27% | 0.266 | 44% | 0.435 | S | S | . | . | trans | -64 | -3.4 | -176.6 | 53.8 | 0 | 0 | 0 | 0 | 113.9 | I5 T100 | S3-I5 PolarHBondContact O-N 3.04Å; S3-I5 WeakPolarHBondContact OG-CB 3.23Å; S3-I5 PolarHBondContact OG-N 2.96Å; S3-T100 VanDerWaalsContact CB-OG1 3.24Å; S3-T100 WeakPolarHBondContact CB-OG1 3.17Å; S3-T100 WeakPolarHBondContact OG-CB 3.34Å; S3-T100 PolarHBondContact OG-OG1 3.48Å | ||
| 4 | G | 82.8 | Confident | 86 | Confident | 60 Ų | 60 | 68.1 Ų | 68.1 | 62% | 0.619 | 41% | 0.408 | S | S | * | . | S | Bend | trans | 70.6 | -11.1 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | S2 K6 | S2-G4 PolarHBondContact O-N 3.29Å; G4-K6 PolarHBondContact O-N 2.92Å |
| 5 | I | 92.8 | Very high | 86.7 | Confident | 4 Ų | 4 | 63.7 Ų | 63.7 | 2% | 0.021 | 38% | 0.381 | C | S | . | . | trans | -71.1 | 128.1 | 178.9 | -62.2 | 169.7 | 0 | 0 | 0 | 108.6 | S3 I31 N34 I36 L96 T100 S103 | S3-I5 PolarHBondContact O-N 3.04Å; S3-I5 WeakPolarHBondContact OG-CB 3.23Å; S3-I5 PolarHBondContact OG-N 2.96Å; I5-I31 HydrophobicContact CD1-CD1 4.3Å; I5-I31 HydrophobicContact CD1-CG2 3.73Å; I5-I31 HydrophobicContact CG2-CG2 4.31Å; I5-N34 HydrophobicContact CG1-CB 4.29Å; I5-N34 WeakPolarHBondContact CG2-O 3.46Å; I5-I36 HydrophobicContact CG2-CD1 4.4Å; I5-I36 HydrophobicContact CG2-CG1 3.63Å; I5-L96 HydrophobicContact CD1-CD1 3.47Å; I5-L96 VanDerWaalsContact CD1-CD1 3.47Å; I5-L96 HydrophobicContact CD1-CD2 4.28Å; I5-L96 HydrophobicContact CD1-CG 3.97Å; I5-T100 HydrophobicContact CB-CG2 3.66Å; I5-T100 HydrophobicContact CD1-CG2 4.45Å; I5-T100 HydrophobicContact CG2-CG2 3.49Å; I5-T100 VanDerWaalsContact CG2-CG2 3.49Å; I5-S103 WeakPolarHBondContact O-CB 3.39Å; I5-S103 PolarHBondContact O-OG 3.32Å | ||
| 6 | K | 92.4 | Very high | 87.2 | Confident | 152 Ų | 152 | 65.1 Ų | 65.1 | 66% | 0.661 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 153.7 | -179.2 | -69.2 | 178.1 | -178.4 | 178.5 | 0 | 110.1 | G4 E35 I36 | G4-K6 PolarHBondContact O-N 2.92Å; K6-E35 WeakPolarHBondContact O-CG 3.37Å; K6-I36 PolarHBondContact O-N 2.79Å |
| 7 | P | 95.2 | Very high | 87.6 | Confident | 29 Ų | 29 | 66.1 Ų | 66.1 | 19% | 0.188 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 138.9 | 167.6 | 28.3 | -32.2 | 0 | 0 | 0 | 111.6 | C11 I36 L104 C107 | P7-C11 HydrophobicContact CB-CB 3.91Å; P7-I36 HydrophobicContact CB-CB 4.4Å; P7-I36 HydrophobicContact CB-CD1 4.49Å; P7-L104 HydrophobicContact CB-CD1 3.95Å; P7-C107 HydrophobicContact CG-CB 4.31Å |
| 8 | S | 95.8 | Very high | 87.9 | Confident | 13 Ų | 13 | 62.4 Ų | 62.4 | 9% | 0.091 | 36% | 0.359 | C | S | . | . | trans | -61.1 | 154.5 | 165.9 | 68 | 0 | 0 | 0 | 0 | 110.2 | K10 C11 E35 I36 | S8-K10 PolarHBondContact O-N 3.38Å; S8-K10 VanDerWaalsContact O-N 3.09Å; S8-C11 WeakPolarHBondContact O-CB 3.36Å; S8-C11 PolarHBondContact O-N 3.21Å; S8-C11 PolarHBondContact OG-SG 2.91Å; S8-E35 VanDerWaalsContact CB-OE1 3.29Å; S8-E35 WeakPolarHBondContact CB-OE1 3.39Å; S8-I36 WeakPolarHBondContact CB-O 3.29Å; S8-I36 PolarHBondContact N-O 2.59Å; S8-I36 PolarHBondContact OG-O 2.73Å; S8-I36 VanDerWaalsContact OG-O 3.07Å | ||
| 9 | A | 94.4 | Very high | 88.1 | Confident | 86 Ų | 86 | 62.3 Ų | 62.3 | 71% | 0.711 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -56.8 | -28.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | C11 A13 | A9-C11 VanDerWaalsContact C-N 3.28Å; A9-C11 PolarHBondContact O-N 2.75Å; A9-A13 WeakPolarHBondContact O-CB 3.44Å; A9-A13 PolarHBondContact O-N 2.91Å; A9-A13 VanDerWaalsContact O-N 3.15Å |
| 10 | K | 96.3 | Very high | 88.3 | Confident | 126 Ų | 126 | 66.1 Ų | 66.1 | 55% | 0.548 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.1 | -31 | 177.3 | -168.7 | 175.8 | -177.1 | -178.5 | 0 | 112.4 | S8 T14 V38 | S8-K10 PolarHBondContact O-N 3.38Å; S8-K10 VanDerWaalsContact O-N 3.09Å; K10-T14 VanDerWaalsContact O-CB 3.29Å; K10-T14 WeakPolarHBondContact O-CB 3.25Å; K10-T14 PolarHBondContact O-N 3.44Å; K10-T14 PolarHBondContact O-OG1 3.41Å; K10-V38 HydrophobicContact CD-CB 4.49Å; K10-V38 HydrophobicContact CG-CG2 4.12Å |
| 11 | C | 97 | Very high | 88.4 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.3 | -50.6 | 179.6 | -65.8 | 0 | 0 | 0 | 0 | 111.3 | P7 S8 A9 Y15 F29 I36 V38 L104 | P7-C11 HydrophobicContact CB-CB 3.91Å; S8-C11 WeakPolarHBondContact O-CB 3.36Å; S8-C11 PolarHBondContact O-N 3.21Å; S8-C11 PolarHBondContact OG-SG 2.91Å; A9-C11 VanDerWaalsContact C-N 3.28Å; A9-C11 PolarHBondContact O-N 2.75Å; C11-Y15 WeakPolarHBondContact O-CB 3.29Å; C11-Y15 PolarHBondContact O-N 3.38Å; C11-F29 HydrophobicContact CB-CD1 4.05Å; C11-F29 HydrophobicContact CB-CE1 3.85Å; C11-I36 PolarHBondContact SG-O 2.68Å; C11-V38 HydrophobicContact CB-CG2 4.38Å; C11-L104 HydrophobicContact CB-CD1 4.19Å |
| 12 | E | 94.2 | Very high | 90.2 | Very high | 78 Ų | 78 | 62.1 Ų | 62.1 | 36% | 0.364 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.7 | -42.2 | 179.1 | -169.2 | -174.5 | 156.6 | 0 | 0 | 111.5 | Y15 K16 | E12-Y15 PolarHBondContact O-N 3.2Å; E12-K16 HydrophobicContact CG-CD 4.21Å; E12-K16 WeakPolarHBondContact O-CB 3.32Å; E12-K16 WeakPolarHBondContact O-CG 3.24Å; E12-K16 PolarHBondContact O-N 2.6Å; E12-K16 VanDerWaalsContact OE1-CE 3.24Å; E12-K16 WeakPolarHBondContact OE1-CE 3.15Å; E12-K16 IonicContact OE1-NZ 3.18Å; E12-K16 PolarHBondContact OE1-NZ 2.88Å |
| 13 | A | 96.3 | Very high | 91.7 | Very high | 59 Ų | 59 | 59 Ų | 59 | 49% | 0.488 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.5 | -47.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A9 K16 E17 | A9-A13 WeakPolarHBondContact O-CB 3.44Å; A9-A13 PolarHBondContact O-N 2.91Å; A9-A13 VanDerWaalsContact O-N 3.15Å; A13-K16 PolarHBondContact O-N 3.03Å; A13-E17 PolarHBondContact O-N 3.41Å |
| 14 | T | 97.2 | Very high | 93.2 | Very high | 8 Ų | 8 | 59.1 Ų | 59.1 | 5% | 0.049 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.7 | -40.9 | 178.8 | -53.2 | 0 | 0 | 0 | 0 | 111.5 | K10 E17 M18 Y24 V27 V38 I41 | K10-T14 VanDerWaalsContact O-CB 3.29Å; K10-T14 WeakPolarHBondContact O-CB 3.25Å; K10-T14 PolarHBondContact O-N 3.44Å; K10-T14 PolarHBondContact O-OG1 3.41Å; T14-E17 PolarHBondContact O-N 3.01Å; T14-M18 PolarHBondContact O-N 3.45Å; T14-Y24 HydrophobicContact CG2-CD2 4.45Å; T14-Y24 HydrophobicContact CG2-CE2 4.15Å; T14-V27 HydrophobicContact CG2-CG1 3.81Å; T14-V27 HydrophobicContact CG2-CG2 3.83Å; T14-V38 HydrophobicContact CG2-CG1 4.45Å; T14-I41 HydrophobicContact CG2-CD1 3.55Å; T14-I41 HydrophobicContact CG2-CG1 3.79Å |
| 15 | Y | 96 | Very high | 93.7 | Very high | 1 Ų | 1 | 57.7 Ų | 57.7 | 0% | 0.004 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.7 | -43.5 | 176.6 | 174.5 | -105.9 | 0 | 0 | 0 | 112.2 | C11 E12 E17 M18 K19 V66 L79 L108 D109 L111 | C11-Y15 WeakPolarHBondContact O-CB 3.29Å; C11-Y15 PolarHBondContact O-N 3.38Å; E12-Y15 PolarHBondContact O-N 3.2Å; Y15-E17 VanDerWaalsContact C-N 3.28Å; Y15-E17 PolarHBondContact O-N 3.19Å; Y15-M18 WeakPolarHBondContact O-CB 3.4Å; Y15-M18 PolarHBondContact O-N 3.39Å; Y15-K19 HydrophobicContact CE1-CD 4.01Å; Y15-K19 WeakPolarHBondContact O-CB 3.31Å; Y15-K19 PolarHBondContact O-N 3.07Å; Y15-V66 HydrophobicContact CD2-CG1 4.28Å; Y15-V66 HydrophobicContact CD2-CG2 4.08Å; Y15-V66 HydrophobicContact CE2-CG1 3.99Å; Y15-V66 HydrophobicContact CE2-CG2 4.19Å; Y15-L79 HydrophobicContact CE2-CD1 3.99Å; Y15-L108 HydrophobicContact CD1-CB 4.19Å; Y15-L108 HydrophobicContact CD1-CD2 3.65Å; Y15-L108 HydrophobicContact CD2-CB 4.44Å; Y15-L108 HydrophobicContact CD2-CD2 3.8Å; Y15-L108 HydrophobicContact CD2-CG 4.5Å; Y15-L108 HydrophobicContact CE1-CB 3.94Å; Y15-L108 HydrophobicContact CE1-CD2 4.29Å; Y15-L108 HydrophobicContact CE2-CB 4.18Å; Y15-L108 HydrophobicContact CE2-CD2 4.4Å; Y15-L108 HydrophobicContact CG-CB 4.43Å; Y15-L108 HydrophobicContact CG-CD2 3.36Å; Y15-L108 HydrophobicContact CG-CG 4.39Å; Y15-D109 WeakPolarHBondContact CE1-O 3.4Å; Y15-D109 PolarHBondContact OH-O 2.91Å; Y15-L111 HydrophobicContact CE2-CD2 3.97Å |
| 16 | K | 94.9 | Very high | 93.9 | Very high | 86 Ų | 86 | 57.5 Ų | 57.5 | 37% | 0.374 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.9 | -42.6 | 176.3 | -79 | 173.6 | 169.7 | 171.6 | 0 | 111.4 | E12 A13 K19 M20 | E12-K16 HydrophobicContact CG-CD 4.21Å; E12-K16 WeakPolarHBondContact O-CB 3.32Å; E12-K16 WeakPolarHBondContact O-CG 3.24Å; E12-K16 PolarHBondContact O-N 2.6Å; E12-K16 VanDerWaalsContact OE1-CE 3.24Å; E12-K16 WeakPolarHBondContact OE1-CE 3.15Å; E12-K16 IonicContact OE1-NZ 3.18Å; E12-K16 PolarHBondContact OE1-NZ 2.88Å; A13-K16 PolarHBondContact O-N 3.03Å; K16-K19 PolarHBondContact O-N 3.39Å; K16-M20 WeakPolarHBondContact O-CB 3.24Å; K16-M20 VanDerWaalsContact O-CG 3.25Å; K16-M20 WeakPolarHBondContact O-CG 3.36Å; K16-M20 PolarHBondContact O-N 3.19Å |
| 17 | E | 94.7 | Very high | 94.2 | Very high | 82 Ų | 82 | 50.3 Ų | 50.3 | 38% | 0.383 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.6 | -47.5 | 175.4 | -169.1 | 179.9 | -157.6 | 0 | 0 | 111.9 | A13 T14 Y15 K19 M20 N21 Y24 | A13-E17 PolarHBondContact O-N 3.41Å; T14-E17 PolarHBondContact O-N 3.01Å; Y15-E17 VanDerWaalsContact C-N 3.28Å; Y15-E17 PolarHBondContact O-N 3.19Å; E17-K19 VanDerWaalsContact C-N 3.31Å; E17-K19 PolarHBondContact O-N 2.77Å; E17-M20 PolarHBondContact O-N 3.21Å; E17-N21 WeakPolarHBondContact O-CB 3.44Å; E17-N21 PolarHBondContact O-N 2.96Å; E17-Y24 HydrophobicContact CB-CE2 4.23Å; E17-Y24 HydrophobicContact CG-CE2 4.08Å; E17-Y24 PolarHBondContact OE1-OH 3.15Å; E17-Y24 WeakPolarHBondContact OE2-CE2 3.48Å; E17-Y24 PolarHBondContact OE2-OH 3.37Å |
| 18 | M | 93.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -54.4 | -47.6 | 174.2 | -176.7 | 174.1 | 178.7 | 0 | 0 | 111.7 | T14 Y15 H22 Y24 V27 V66 D68 L79 | T14-M18 PolarHBondContact O-N 3.45Å; Y15-M18 WeakPolarHBondContact O-CB 3.4Å; Y15-M18 PolarHBondContact O-N 3.39Å; M18-H22 VanDerWaalsContact O-CA 3.23Å; M18-H22 WeakPolarHBondContact O-CA 3.42Å; M18-H22 PolarHBondContact O-N 2.94Å; M18-Y24 HydrophobicContact CB-CD2 3.88Å; M18-Y24 HydrophobicContact CG-CD2 4.43Å; M18-V27 HydrophobicContact SD-CB 4.37Å; M18-V27 HydrophobicContact SD-CG2 3.65Å; M18-V66 HydrophobicContact CE-CB 4.42Å; M18-V66 HydrophobicContact CE-CG1 3.86Å; M18-V66 HydrophobicContact SD-CB 4.19Å; M18-V66 HydrophobicContact SD-CG1 3.93Å; M18-D68 HydrophobicContact CE-CB 3.59Å; M18-L79 HydrophobicContact CE-CD2 3.78Å; M18-L79 HydrophobicContact CG-CD2 4.18Å; M18-L79 HydrophobicContact SD-CD2 4.31Å |
| 19 | K | 91.8 | Very high | 94.5 | Very high | 60 Ų | 60 | 48.3 Ų | 48.3 | 26% | 0.261 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -69.1 | -40.2 | -176.2 | 175.9 | 174.3 | 176.7 | 175 | 0 | 113 | Y15 K16 E17 L79 D109 | Y15-K19 HydrophobicContact CE1-CD 4.01Å; Y15-K19 WeakPolarHBondContact O-CB 3.31Å; Y15-K19 PolarHBondContact O-N 3.07Å; K16-K19 PolarHBondContact O-N 3.39Å; E17-K19 VanDerWaalsContact C-N 3.31Å; E17-K19 PolarHBondContact O-N 2.77Å; K19-L79 HydrophobicContact CB-CD1 3.74Å; K19-L79 HydrophobicContact CD-CD1 4.16Å; K19-L79 HydrophobicContact CG-CD1 3.73Å; K19-D109 PolarHBondContact NZ-O 3.15Å; K19-D109 IonicContact NZ-OD1 2.6Å; K19-D109 IonicContact NZ-OD2 3.23Å; K19-D109 PolarHBondContact NZ-OD2 3.08Å |
| 20 | M | 90.9 | Very high | 94.6 | Very high | 138 Ų | 138 | 45.2 Ų | 45.2 | 68% | 0.68 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -80.4 | -42.7 | -177 | -69.5 | 179.1 | -178.3 | 0 | 0 | 112.1 | K16 E17 | K16-M20 WeakPolarHBondContact O-CB 3.24Å; K16-M20 VanDerWaalsContact O-CG 3.25Å; K16-M20 WeakPolarHBondContact O-CG 3.36Å; K16-M20 PolarHBondContact O-N 3.19Å; E17-M20 PolarHBondContact O-N 3.21Å |
| 21 | N | 90.2 | Very high | 94.6 | Very high | 104 Ų | 104 | 40.4 Ų | 40.4 | 56% | 0.556 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -100.1 | -12.6 | -170.4 | -61.9 | -29 | 0 | 0 | 0 | 113.4 | E17 C23 | E17-N21 WeakPolarHBondContact O-CB 3.44Å; E17-N21 PolarHBondContact O-N 2.96Å; N21-C23 HydrophobicContact CB-CB 4.04Å; N21-C23 PolarHBondContact O-N 2.85Å |
| 22 | H | 87.1 | Confident | 94.4 | Very high | 74 Ų | 74 | 43.7 Ų | 43.7 | 34% | 0.343 | 22% | 0.221 | S | C | . | . | trans | 51.9 | 27.4 | -173.5 | -57.6 | -90.7 | 0 | 0 | 0 | 113.4 | M18 D68 A77 | M18-H22 VanDerWaalsContact O-CA 3.23Å; M18-H22 WeakPolarHBondContact O-CA 3.42Å; M18-H22 PolarHBondContact O-N 2.94Å; H22-D68 IonicContact ND1-OD2 3.21Å; H22-D68 PolarHBondContact ND1-OD2 3.37Å; H22-A77 WeakPolarHBondContact CE1-CB 3.32Å | ||
| 23 | C | 88.4 | Confident | 94.3 | Very high | 42 Ų | 42 | 47.5 Ų | 47.5 | 28% | 0.284 | 24% | 0.244 | S | C | . | . | trans | -82.2 | -14.9 | -170 | 56 | 0 | 0 | 0 | 0 | 113.6 | N21 R44 | N21-C23 HydrophobicContact CB-CB 4.04Å; N21-C23 PolarHBondContact O-N 2.85Å; C23-R44 PolarHBondContact O-N 2.87Å | ||
| 24 | Y | 94.8 | Very high | 94 | Very high | 40 Ų | 40 | 50.7 Ų | 50.7 | 16% | 0.157 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 140.3 | -176.7 | -53 | -38.2 | 0 | 0 | 0 | 110.7 | T14 E17 M18 V27 I41 A42 | T14-Y24 HydrophobicContact CG2-CD2 4.45Å; T14-Y24 HydrophobicContact CG2-CE2 4.15Å; E17-Y24 HydrophobicContact CB-CE2 4.23Å; E17-Y24 HydrophobicContact CG-CE2 4.08Å; E17-Y24 PolarHBondContact OE1-OH 3.15Å; E17-Y24 WeakPolarHBondContact OE2-CE2 3.48Å; E17-Y24 PolarHBondContact OE2-OH 3.37Å; M18-Y24 HydrophobicContact CB-CD2 3.88Å; M18-Y24 HydrophobicContact CG-CD2 4.43Å; Y24-V27 HydrophobicContact CD2-CG2 4.11Å; Y24-I41 HydrophobicContact CD1-CG2 3.35Å; Y24-I41 HydrophobicContact CD2-CG2 3.6Å; Y24-I41 HydrophobicContact CE1-CG2 3.4Å; Y24-I41 HydrophobicContact CE2-CG2 3.66Å; Y24-I41 HydrophobicContact CG-CG2 3.47Å; Y24-I41 VanDerWaalsContact CG-CG2 3.47Å; Y24-A42 CarbonylContact C-O 3.58Å; Y24-A42 WeakPolarHBondContact CA-O 3.2Å; Y24-A42 WeakPolarHBondContact CB-O 3.32Å |
| 25 | R | 94.8 | Very high | 93.9 | Very high | 29 Ų | 29 | 54.5 Ų | 54.5 | 11% | 0.109 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | -46.5 | 170.8 | 177.8 | 62.2 | 63.9 | -179.7 | -0.7 | 110 | A42 P43 R44 E46 D68 E70 | R25-A42 HydrophobicContact CB-CB 4.3Å; R25-A42 PolarHBondContact N-O 3.23Å; R25-P43 VanDerWaalsContact CB-O 3.24Å; R25-P43 WeakPolarHBondContact CB-O 3.33Å; R25-R44 PolarHBondContact NE-O 3.44Å; R25-R44 PolarHBondContact NH2-O 3.06Å; R25-E46 HydrophobicContact CB-CB 4.32Å; R25-E46 WeakPolarHBondContact CG-O 3.44Å; R25-E46 PolarHBondContact NE-O 2.71Å; R25-D68 PolarHBondContact O-N 3.39Å; R25-E70 IonicContact CZ-OE2 2.75Å; R25-E70 IonicContact NH1-OE2 3.34Å; R25-E70 PolarHBondContact NH1-OE2 2.81Å; R25-E70 IonicContact NH2-OE2 3.41Å; R25-E70 PolarHBondContact NH2-OE2 2.71Å |
| 26 | Y | 96.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 159.6 | 178.2 | 65.8 | -93 | 0 | 0 | 0 | 111.5 | L28 K40 A42 E46 F51 E54 V66 | Y26-L28 HydrophobicContact CD2-CD1 4.34Å; Y26-L28 HydrophobicContact CD2-CD2 3.73Å; Y26-L28 HydrophobicContact CD2-CG 3.7Å; Y26-L28 HydrophobicContact CE2-CD1 3.86Å; Y26-L28 HydrophobicContact CE2-CD2 4.09Å; Y26-L28 HydrophobicContact CE2-CG 3.7Å; Y26-K40 HydrophobicContact CE2-CG 3.8Å; Y26-K40 WeakPolarHBondContact OH-CE 3.42Å; Y26-A42 HydrophobicContact CD1-CB 3.27Å; Y26-A42 HydrophobicContact CD2-CB 3.8Å; Y26-A42 HydrophobicContact CE1-CB 3.11Å; Y26-A42 HydrophobicContact CE2-CB 3.66Å; Y26-A42 HydrophobicContact CG-CB 3.61Å; Y26-A42 WeakPolarHBondContact O-CB 3.27Å; Y26-A42 PolarHBondContact O-N 3.48Å; Y26-E46 HydrophobicContact CE1-CG 4.14Å; Y26-E46 WeakPolarHBondContact CE1-OE1 3.44Å; Y26-E46 VanDerWaalsContact OH-CD 3.26Å; Y26-E46 PolarHBondContact OH-OE1 2.97Å; Y26-E46 PolarHBondContact OH-OE2 2.69Å; Y26-F51 HydrophobicContact CD1-CB 4Å; Y26-F51 AromaticContact CD1-CD2 3.44Å; Y26-F51 HydrophobicContact CD1-CD2 3.44Å; Y26-F51 VanDerWaalsContact CD1-CD2 3.44Å; Y26-F51 HydrophobicContact CD1-CE2 4.35Å; Y26-F51 HydrophobicContact CD1-CG 4.17Å; Y26-F51 AromaticContact CD2-CD2 3.98Å; Y26-F51 HydrophobicContact CD2-CD2 3.98Å; Y26-F51 HydrophobicContact CD2-CE2 4.35Å; Y26-F51 HydrophobicContact CE1-CB 3.75Å; Y26-F51 AromaticContact CE1-CD2 3.77Å; Y26-F51 HydrophobicContact CE1-CD2 3.77Å; Y26-F51 HydrophobicContact CE1-CG 4.27Å; Y26-F51 HydrophobicContact CE2-CD2 4.26Å; Y26-F51 AromaticContact CG-CD2 3.56Å; Y26-F51 HydrophobicContact CG-CD2 3.56Å; Y26-F51 HydrophobicContact CG-CE2 4.06Å; Y26-E54 HydrophobicContact CE2-CG 4.48Å; Y26-E54 VanDerWaalsContact OH-CB 3.28Å; Y26-E54 WeakPolarHBondContact OH-CB 3.35Å; Y26-E54 WeakPolarHBondContact OH-CG 3.37Å; Y26-V66 CarbonylContact C-O 3.48Å; Y26-V66 WeakPolarHBondContact CA-O 3.45Å; Y26-V66 WeakPolarHBondContact CB-O 3.03Å |
| 27 | V | 98.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 130.9 | 171.9 | -178.5 | 0 | 0 | 0 | 0 | 107.5 | T14 M18 Y24 F29 V38 K40 G65 V66 | T14-V27 HydrophobicContact CG2-CG1 3.81Å; T14-V27 HydrophobicContact CG2-CG2 3.83Å; M18-V27 HydrophobicContact SD-CB 4.37Å; M18-V27 HydrophobicContact SD-CG2 3.65Å; Y24-V27 HydrophobicContact CD2-CG2 4.11Å; V27-F29 HydrophobicContact CB-CE2 4.1Å; V27-F29 HydrophobicContact CB-CZ 3.96Å; V27-F29 HydrophobicContact CG1-CD1 4.44Å; V27-F29 HydrophobicContact CG1-CE1 3.75Å; V27-F29 HydrophobicContact CG1-CE2 3.84Å; V27-F29 HydrophobicContact CG1-CZ 3.4Å; V27-F29 WeakPolarHBondContact O-CE2 3.43Å; V27-V38 HydrophobicContact CG1-CG1 3.83Å; V27-K40 CarbonylContact C-O 3.48Å; V27-K40 WeakPolarHBondContact CA-O 3.12Å; V27-G65 CarbonylContact O-C 3.57Å; V27-G65 WeakPolarHBondContact O-CA 3.39Å; V27-V66 PolarHBondContact N-O 2.61Å; V27-V66 PolarHBondContact O-N 3Å |
| 28 | L | 98.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 145.1 | 176.1 | -53.5 | -178.3 | 0 | 0 | 0 | 111.2 | Y26 I39 K40 E54 V55 Y58 Y64 F82 | Y26-L28 HydrophobicContact CD2-CD1 4.34Å; Y26-L28 HydrophobicContact CD2-CD2 3.73Å; Y26-L28 HydrophobicContact CD2-CG 3.7Å; Y26-L28 HydrophobicContact CE2-CD1 3.86Å; Y26-L28 HydrophobicContact CE2-CD2 4.09Å; Y26-L28 HydrophobicContact CE2-CG 3.7Å; L28-I39 HydrophobicContact CB-CD1 3.97Å; L28-I39 HydrophobicContact CB-CG1 3.76Å; L28-I39 WeakPolarHBondContact O-CG1 3.34Å; L28-I39 PolarHBondContact O-N 3.2Å; L28-K40 HydrophobicContact CB-CB 4.08Å; L28-K40 HydrophobicContact CD1-CB 4.16Å; L28-K40 HydrophobicContact CD1-CG 4.4Å; L28-K40 HydrophobicContact CG-CB 4.18Å; L28-K40 PolarHBondContact N-O 3.05Å; L28-K40 PolarHBondContact O-N 3.21Å; L28-E54 HydrophobicContact CD1-CG 4.2Å; L28-V55 HydrophobicContact CD1-CG2 3.95Å; L28-V55 HydrophobicContact CD2-CG2 3.75Å; L28-V55 HydrophobicContact CG-CG2 4.49Å; L28-Y58 HydrophobicContact CD1-CD2 3.95Å; L28-Y58 HydrophobicContact CD1-CE2 3.84Å; L28-Y64 WeakPolarHBondContact CA-O 3.15Å; L28-F82 HydrophobicContact CD2-CE2 4.48Å; L28-F82 HydrophobicContact CD2-CZ 3.7Å |
| 29 | F | 98.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 145.9 | -179.2 | -44.9 | -95.8 | 0 | 0 | 0 | 110.7 | C11 V27 I36 S37 V38 C63 Y64 V66 L104 | C11-F29 HydrophobicContact CB-CD1 4.05Å; C11-F29 HydrophobicContact CB-CE1 3.85Å; V27-F29 HydrophobicContact CB-CE2 4.1Å; V27-F29 HydrophobicContact CB-CZ 3.96Å; V27-F29 HydrophobicContact CG1-CD1 4.44Å; V27-F29 HydrophobicContact CG1-CE1 3.75Å; V27-F29 HydrophobicContact CG1-CE2 3.84Å; V27-F29 HydrophobicContact CG1-CZ 3.4Å; V27-F29 WeakPolarHBondContact O-CE2 3.43Å; F29-I36 HydrophobicContact CB-CG2 3.77Å; F29-S37 CarbonylContact C-O 3.59Å; F29-S37 WeakPolarHBondContact CA-O 3.43Å; F29-V38 HydrophobicContact CD1-CG2 3.9Å; F29-V38 HydrophobicContact CE1-CG2 3.8Å; F29-C63 WeakPolarHBondContact O-CA 3.22Å; F29-Y64 HydrophobicContact CB-CD2 4.43Å; F29-Y64 PolarHBondContact N-O 2.91Å; F29-Y64 PolarHBondContact O-N 2.82Å; F29-V66 HydrophobicContact CE2-CG2 4.12Å; F29-L104 HydrophobicContact CB-CD2 3.98Å; F29-L104 HydrophobicContact CD1-CD1 4.49Å; F29-L104 HydrophobicContact CD1-CD2 4.35Å; F29-L104 HydrophobicContact CD2-CD2 3.78Å; F29-L104 HydrophobicContact CE2-CD2 4.35Å; F29-L104 HydrophobicContact CG-CD2 3.79Å |
| 30 | Q | 97.2 | Very high | 94.7 | Very high | 21 Ų | 21 | 50.8 Ų | 50.8 | 10% | 0.098 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 157.5 | 172 | -81.8 | -165.4 | -33.5 | 0 | 0 | 111.5 | I32 I36 S37 I39 Y58 G62 C63 Y97 | Q30-I32 HydrophobicContact CB-CG1 4.27Å; Q30-I36 CarbonylContact O-C 3.6Å; Q30-I36 WeakPolarHBondContact O-CA 3.44Å; Q30-S37 PolarHBondContact N-O 3.28Å; Q30-S37 PolarHBondContact O-N 3.28Å; Q30-I39 HydrophobicContact CB-CD1 4.35Å; Q30-I39 HydrophobicContact CB-CG2 3.92Å; Q30-I39 HydrophobicContact CG-CD1 3.59Å; Q30-I39 HydrophobicContact CG-CG1 4.27Å; Q30-I39 HydrophobicContact CG-CG2 4.36Å; Q30-Y58 VanDerWaalsContact NE2-CD1 3.29Å; Q30-G62 WeakPolarHBondContact CG-O 3.49Å; Q30-G62 PolarHBondContact NE2-O 3.1Å; Q30-C63 HydrophobicContact CG-CB 4.09Å; Q30-Y97 WeakPolarHBondContact CB-OH 3.45Å; Q30-Y97 WeakPolarHBondContact CG-OH 3.06Å |
| 31 | I | 95.6 | Very high | 95 | Very high | 25 Ų | 25 | 47 Ų | 47 | 13% | 0.128 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 115.8 | 169.9 | -57.8 | 174.6 | 0 | 0 | 0 | 107.6 | I5 E35 I36 Y64 L96 Y97 T100 | I5-I31 HydrophobicContact CD1-CD1 4.3Å; I5-I31 HydrophobicContact CD1-CG2 3.73Å; I5-I31 HydrophobicContact CG2-CG2 4.31Å; I31-E35 CarbonylContact C-O 3.55Å; I31-E35 WeakPolarHBondContact CA-O 3.3Å; I31-I36 HydrophobicContact CG1-CG1 4.49Å; I31-Y64 HydrophobicContact CD1-CE2 4.37Å; I31-Y64 HydrophobicContact CG1-CE2 4.19Å; I31-L96 HydrophobicContact CD1-CD2 4.12Å; I31-L96 HydrophobicContact CD1-CG 3.82Å; I31-L96 HydrophobicContact CG2-CD2 4Å; I31-Y97 HydrophobicContact CB-CE2 4.31Å; I31-Y97 HydrophobicContact CD1-CD1 4.31Å; I31-Y97 HydrophobicContact CD1-CD2 3.98Å; I31-Y97 HydrophobicContact CD1-CE1 4.32Å; I31-Y97 HydrophobicContact CD1-CE2 4.01Å; I31-Y97 HydrophobicContact CD1-CG 4.13Å; I31-Y97 HydrophobicContact CG1-CE1 4.2Å; I31-Y97 HydrophobicContact CG1-CE2 4.24Å; I31-Y97 PolarHBondContact N-OH 2.8Å; I31-Y97 VanDerWaalsContact N-OH 3.15Å; I31-T100 HydrophobicContact CD1-CG2 3.75Å; I31-T100 HydrophobicContact CG1-CG2 4.21Å |
| 32 | I | 93.7 | Very high | 95.4 | Very high | 70 Ų | 70 | 42 Ų | 42 | 36% | 0.359 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 125.2 | 178.3 | -56.9 | 175.7 | 0 | 0 | 0 | 106.5 | Q30 N34 E35 I39 | Q30-I32 HydrophobicContact CB-CG1 4.27Å; I32-N34 VanDerWaalsContact C-N 3.3Å; I32-N34 PolarHBondContact O-N 3.39Å; I32-E35 PolarHBondContact N-O 2.58Å; I32-E35 PolarHBondContact O-N 3.3Å; I32-I39 HydrophobicContact CD1-CG2 3.9Å |
| 33 | D | 91.1 | Very high | 95.8 | Very high | 157 Ų | 157 | 41.4 Ų | 41.4 | 84% | 0.84 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 45.3 | 177.9 | -59 | -41.4 | 0 | 0 | 0 | 114.6 | E35 | D33-E35 PolarHBondContact O-N 3.16Š|
| 34 | N | 90.3 | Very high | 96 | Very high | 126 Ų | 126 | 42.2 Ų | 42.2 | 67% | 0.674 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62 | 21 | -177.6 | -62.1 | -18.1 | 0 | 0 | 0 | 115.4 | I5 I32 | I5-N34 HydrophobicContact CG1-CB 4.29Å; I5-N34 WeakPolarHBondContact CG2-O 3.46Å; I32-N34 VanDerWaalsContact C-N 3.3Å; I32-N34 PolarHBondContact O-N 3.39Å |
| 35 | E | 95.3 | Very high | 95.9 | Very high | 88 Ų | 88 | 46.7 Ų | 46.7 | 41% | 0.411 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 147.4 | 171.9 | -167.9 | 175.2 | 69.2 | 0 | 0 | 110.6 | K6 S8 I31 I32 D33 | K6-E35 WeakPolarHBondContact O-CG 3.37Å; S8-E35 VanDerWaalsContact CB-OE1 3.29Å; S8-E35 WeakPolarHBondContact CB-OE1 3.39Å; I31-E35 CarbonylContact C-O 3.55Å; I31-E35 WeakPolarHBondContact CA-O 3.3Å; I32-E35 PolarHBondContact N-O 2.58Å; I32-E35 PolarHBondContact O-N 3.3Å; D33-E35 PolarHBondContact O-N 3.16Å |
| 36 | I | 97.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 121.3 | 172.5 | -39.7 | 174.7 | 0 | 0 | 0 | 108.7 | I5 K6 P7 S8 C11 F29 Q30 I31 Y64 T100 L104 | I5-I36 HydrophobicContact CG2-CD1 4.4Å; I5-I36 HydrophobicContact CG2-CG1 3.63Å; K6-I36 PolarHBondContact O-N 2.79Å; P7-I36 HydrophobicContact CB-CB 4.4Å; P7-I36 HydrophobicContact CB-CD1 4.49Å; S8-I36 WeakPolarHBondContact CB-O 3.29Å; S8-I36 PolarHBondContact N-O 2.59Å; S8-I36 PolarHBondContact OG-O 2.73Å; S8-I36 VanDerWaalsContact OG-O 3.07Å; C11-I36 PolarHBondContact SG-O 2.68Å; F29-I36 HydrophobicContact CB-CG2 3.77Å; Q30-I36 CarbonylContact O-C 3.6Å; Q30-I36 WeakPolarHBondContact O-CA 3.44Å; I31-I36 HydrophobicContact CG1-CG1 4.49Å; I36-Y64 HydrophobicContact CD1-CE2 4.3Å; I36-Y64 HydrophobicContact CG2-CD2 4.12Å; I36-Y64 HydrophobicContact CG2-CE2 4.36Å; I36-T100 HydrophobicContact CD1-CG2 3.57Å; I36-T100 HydrophobicContact CG1-CG2 3.91Å; I36-L104 HydrophobicContact CD1-CB 3.7Å; I36-L104 HydrophobicContact CG2-CD2 4.22Å |
| 37 | S | 97.6 | Very high | 95.7 | Very high | 29 Ų | 29 | 49.3 Ų | 49.3 | 20% | 0.203 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 147.5 | -177.2 | -76.2 | 0 | 0 | 0 | 0 | 111.9 | F29 Q30 | F29-S37 CarbonylContact C-O 3.59Å; F29-S37 WeakPolarHBondContact CA-O 3.43Å; Q30-S37 PolarHBondContact N-O 3.28Å; Q30-S37 PolarHBondContact O-N 3.28Å |
| 38 | V | 98.1 | Very high | 95.3 | Very high | 22 Ų | 22 | 51.7 Ų | 51.7 | 13% | 0.133 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 123.3 | 170.5 | -176.9 | 0 | 0 | 0 | 0 | 109.1 | K10 C11 T14 V27 F29 I41 | K10-V38 HydrophobicContact CD-CB 4.49Å; K10-V38 HydrophobicContact CG-CG2 4.12Å; C11-V38 HydrophobicContact CB-CG2 4.38Å; T14-V38 HydrophobicContact CG2-CG1 4.45Å; V27-V38 HydrophobicContact CG1-CG1 3.83Å; F29-V38 HydrophobicContact CD1-CG2 3.9Å; F29-V38 HydrophobicContact CE1-CG2 3.8Å; V38-I41 HydrophobicContact CG1-CD1 4.24Å; V38-I41 HydrophobicContact CG1-CG1 3.76Å |
| 39 | I | 97.1 | Very high | 95.1 | Very high | 50 Ų | 50 | 56.1 Ų | 56.1 | 26% | 0.256 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | -23.1 | -179.3 | 55.7 | 153.4 | 0 | 0 | 0 | 113.4 | L28 Q30 I32 Y58 | L28-I39 HydrophobicContact CB-CD1 3.97Å; L28-I39 HydrophobicContact CB-CG1 3.76Å; L28-I39 WeakPolarHBondContact O-CG1 3.34Å; L28-I39 PolarHBondContact O-N 3.2Å; Q30-I39 HydrophobicContact CB-CD1 4.35Å; Q30-I39 HydrophobicContact CB-CG2 3.92Å; Q30-I39 HydrophobicContact CG-CD1 3.59Å; Q30-I39 HydrophobicContact CG-CG1 4.27Å; Q30-I39 HydrophobicContact CG-CG2 4.36Å; I32-I39 HydrophobicContact CD1-CG2 3.9Å; I39-Y58 HydrophobicContact CD1-CD1 3.81Å; I39-Y58 HydrophobicContact CD1-CD2 4.14Å; I39-Y58 HydrophobicContact CD1-CE1 3.49Å; I39-Y58 VanDerWaalsContact CD1-CE1 3.49Å; I39-Y58 HydrophobicContact CD1-CE2 3.86Å; I39-Y58 HydrophobicContact CD1-CG 4.1Å |
| 40 | K | 97.3 | Very high | 95 | Very high | 51 Ų | 51 | 60.7 Ų | 60.7 | 22% | 0.222 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 134.8 | 179 | 173.8 | 66.1 | 168.2 | 148.7 | 0 | 109.7 | Y26 V27 L28 E46 E54 | Y26-K40 HydrophobicContact CE2-CG 3.8Å; Y26-K40 WeakPolarHBondContact OH-CE 3.42Å; V27-K40 CarbonylContact C-O 3.48Å; V27-K40 WeakPolarHBondContact CA-O 3.12Å; L28-K40 HydrophobicContact CB-CB 4.08Å; L28-K40 HydrophobicContact CD1-CB 4.16Å; L28-K40 HydrophobicContact CD1-CG 4.4Å; L28-K40 HydrophobicContact CG-CB 4.18Å; L28-K40 PolarHBondContact N-O 3.05Å; L28-K40 PolarHBondContact O-N 3.21Å; K40-E46 IonicContact NZ-OE2 2.84Å; K40-E46 PolarHBondContact NZ-OE2 3.09Å; K40-E54 HydrophobicContact CG-CG 4.25Å |
| 41 | I | 98 | Very high | 94.9 | Very high | 58 Ų | 58 | 59.7 Ų | 59.7 | 30% | 0.297 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 118.4 | 166.8 | -57 | 175.8 | 0 | 0 | 0 | 105.2 | T14 Y24 V38 | T14-I41 HydrophobicContact CG2-CD1 3.55Å; T14-I41 HydrophobicContact CG2-CG1 3.79Å; Y24-I41 HydrophobicContact CD1-CG2 3.35Å; Y24-I41 HydrophobicContact CD2-CG2 3.6Å; Y24-I41 HydrophobicContact CE1-CG2 3.4Å; Y24-I41 HydrophobicContact CE2-CG2 3.66Å; Y24-I41 HydrophobicContact CG-CG2 3.47Å; Y24-I41 VanDerWaalsContact CG-CG2 3.47Å; V38-I41 HydrophobicContact CG1-CD1 4.24Å; V38-I41 HydrophobicContact CG1-CG1 3.76Å |
| 42 | A | 97.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 128.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y24 R25 Y26 E46 | Y24-A42 CarbonylContact C-O 3.58Å; Y24-A42 WeakPolarHBondContact CA-O 3.2Å; Y24-A42 WeakPolarHBondContact CB-O 3.32Å; R25-A42 HydrophobicContact CB-CB 4.3Å; R25-A42 PolarHBondContact N-O 3.23Å; Y26-A42 HydrophobicContact CD1-CB 3.27Å; Y26-A42 HydrophobicContact CD2-CB 3.8Å; Y26-A42 HydrophobicContact CE1-CB 3.11Å; Y26-A42 HydrophobicContact CE2-CB 3.66Å; Y26-A42 HydrophobicContact CG-CB 3.61Å; Y26-A42 WeakPolarHBondContact O-CB 3.27Å; Y26-A42 PolarHBondContact O-N 3.48Å; A42-E46 WeakPolarHBondContact CA-OE2 3.44Å; A42-E46 HydrophobicContact CB-CB 4.27Å; A42-E46 WeakPolarHBondContact CB-OE2 3.1Å |
| 43 | P | 95.5 | Very high | 95.1 | Very high | 60 Ų | 60 | 63.4 Ų | 63.4 | 39% | 0.39 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 160.1 | 177.5 | 34.1 | -38.2 | 0 | 0 | 0 | 110.5 | R25 D45 E46 | R25-P43 VanDerWaalsContact CB-O 3.24Å; R25-P43 WeakPolarHBondContact CB-O 3.33Å; P43-D45 VanDerWaalsContact CB-OD1 3.31Å; P43-D45 WeakPolarHBondContact CB-OD1 3.43Å; P43-D45 PolarHBondContact O-N 2.9Å; P43-E46 WeakPolarHBondContact CD-OE2 3.39Å; P43-E46 HydrophobicContact CG-CB 4.4Å; P43-E46 VanDerWaalsContact O-CB 3.3Å; P43-E46 WeakPolarHBondContact O-CB 3.25Å; P43-E46 PolarHBondContact O-N 3.25Å |
| 44 | R | 92.6 | Very high | 95.4 | Very high | 60 Ų | 60 | 57.6 Ų | 57.6 | 23% | 0.226 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -31.7 | -172.2 | -174.4 | 55.3 | 173.9 | -149.9 | -1.5 | 114.2 | C23 R25 E46 D68 E70 | C23-R44 PolarHBondContact O-N 2.87Å; R25-R44 PolarHBondContact NE-O 3.44Å; R25-R44 PolarHBondContact NH2-O 3.06Å; R44-E46 PolarHBondContact O-N 3.4Å; R44-D68 IonicContact CZ-OD2 3.05Å; R44-D68 VanDerWaalsContact NH1-CG 3.26Å; R44-D68 IonicContact NH1-OD2 3.28Å; R44-D68 PolarHBondContact NH1-OD2 2.97Å; R44-D68 IonicContact NH2-OD2 3.37Å; R44-E70 IonicContact CZ-OE1 3.66Å; R44-E70 IonicContact NE-OE1 3.47Å; R44-E70 PolarHBondContact NE-OE1 3.26Å; R44-E70 IonicContact NH2-OE1 2.73Å; R44-E70 PolarHBondContact NH2-OE1 2.91Å |
| 45 | D | 92.7 | Very high | 95.7 | Very high | 133 Ų | 133 | 51.6 Ų | 51.6 | 71% | 0.711 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -7.4 | 179.9 | 58.1 | -62.2 | 0 | 0 | 0 | 113.7 | P43 T47 | P43-D45 VanDerWaalsContact CB-OD1 3.31Å; P43-D45 WeakPolarHBondContact CB-OD1 3.43Å; P43-D45 PolarHBondContact O-N 2.9Å; D45-T47 PolarHBondContact O-N 2.93Å |
| 46 | E | 95 | Very high | 95.6 | Very high | 15 Ų | 15 | 48.9 Ų | 48.9 | 7% | 0.07 | 26% | 0.263 | C | S | . | . | trans | -64.3 | 131.1 | 175.2 | -161.4 | 169.4 | 156.3 | 0 | 0 | 110.6 | R25 Y26 K40 A42 P43 R44 Q50 | R25-E46 HydrophobicContact CB-CB 4.32Å; R25-E46 WeakPolarHBondContact CG-O 3.44Å; R25-E46 PolarHBondContact NE-O 2.71Å; Y26-E46 HydrophobicContact CE1-CG 4.14Å; Y26-E46 WeakPolarHBondContact CE1-OE1 3.44Å; Y26-E46 VanDerWaalsContact OH-CD 3.26Å; Y26-E46 PolarHBondContact OH-OE1 2.97Å; Y26-E46 PolarHBondContact OH-OE2 2.69Å; K40-E46 IonicContact NZ-OE2 2.84Å; K40-E46 PolarHBondContact NZ-OE2 3.09Å; A42-E46 WeakPolarHBondContact CA-OE2 3.44Å; A42-E46 HydrophobicContact CB-CB 4.27Å; A42-E46 WeakPolarHBondContact CB-OE2 3.1Å; P43-E46 WeakPolarHBondContact CD-OE2 3.39Å; P43-E46 HydrophobicContact CG-CB 4.4Å; P43-E46 VanDerWaalsContact O-CB 3.3Å; P43-E46 WeakPolarHBondContact O-CB 3.25Å; P43-E46 PolarHBondContact O-N 3.25Å; R44-E46 PolarHBondContact O-N 3.4Å; E46-Q50 HydrophobicContact CG-CB 3.54Å; E46-Q50 HydrophobicContact CG-CG 4.33Å; E46-Q50 WeakPolarHBondContact OE1-CB 3.37Å | ||
| 47 | T | 93.1 | Very high | 95.5 | Very high | 70 Ų | 70 | 54.2 Ų | 54.2 | 43% | 0.429 | 29% | 0.286 | S | S | . | . | trans | -81.8 | 160.6 | -174.2 | 63.2 | 0 | 0 | 0 | 0 | 112.3 | D45 S49 Q50 F51 | D45-T47 PolarHBondContact O-N 2.93Å; T47-S49 PolarHBondContact O-N 3.02Å; T47-Q50 PolarHBondContact O-N 2.91Å; T47-Q50 VanDerWaalsContact O-N 3.08Å; T47-Q50 WeakPolarHBondContact OG1-CG 3.36Å; T47-Q50 PolarHBondContact OG1-N 2.87Å; T47-Q50 PolarHBondContact OG1-OE1 3.22Å; T47-F51 PolarHBondContact O-N 3.37Å | ||
| 48 | M | 89.8 | Confident | 95.4 | Very high | 51 Ų | 51 | 54.9 Ų | 54.9 | 25% | 0.251 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.3 | -28.2 | 173.2 | -70.1 | -59.9 | 162.2 | 0 | 0 | 113.1 | F51 K52 V67 Y69 M124 | M48-F51 HydrophobicContact SD-CD1 4.49Å; M48-K52 WeakPolarHBondContact O-CB 3.41Å; M48-K52 PolarHBondContact O-N 2.89Å; M48-V67 HydrophobicContact CE-CG2 4.36Å; M48-Y69 HydrophobicContact CE-CD2 3.96Å; M48-Y69 HydrophobicContact CE-CE2 4.05Å; M48-Y69 HydrophobicContact SD-CE2 4.31Å; M48-M124 HydrophobicContact CB-CE 4.46Å |
| 49 | S | 94 | Very high | 95 | Very high | 93 Ų | 93 | 55.7 Ų | 55.7 | 65% | 0.65 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -68 | -41.2 | 173.4 | -171.6 | 0 | 0 | 0 | 0 | 111.8 | T47 K52 D53 | T47-S49 PolarHBondContact O-N 3.02Å; S49-K52 PolarHBondContact O-N 2.93Å; S49-D53 PolarHBondContact O-N 2.93Å |
| 50 | Q | 96.2 | Very high | 94.7 | Very high | 96 Ų | 96 | 57.7 Ų | 57.7 | 45% | 0.449 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -68.4 | -40.8 | 176.3 | -71.5 | 166.2 | -66.6 | 0 | 0 | 111.2 | E46 T47 K52 D53 E54 | E46-Q50 HydrophobicContact CG-CB 3.54Å; E46-Q50 HydrophobicContact CG-CG 4.33Å; E46-Q50 WeakPolarHBondContact OE1-CB 3.37Å; T47-Q50 PolarHBondContact O-N 2.91Å; T47-Q50 VanDerWaalsContact O-N 3.08Å; T47-Q50 WeakPolarHBondContact OG1-CG 3.36Å; T47-Q50 PolarHBondContact OG1-N 2.87Å; T47-Q50 PolarHBondContact OG1-OE1 3.22Å; Q50-K52 VanDerWaalsContact C-N 3.32Å; Q50-K52 PolarHBondContact O-N 3.14Å; Q50-D53 PolarHBondContact O-N 2.95Å; Q50-E54 WeakPolarHBondContact O-CB 3.49Å; Q50-E54 PolarHBondContact O-N 3.09Å |
| 51 | F | 95.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -53.5 | -49 | 169.4 | 168.9 | -101.2 | 0 | 0 | 0 | 111.7 | Y26 T47 M48 D53 E54 V55 F82 L123 M124 L127 | Y26-F51 HydrophobicContact CD1-CB 4Å; Y26-F51 AromaticContact CD1-CD2 3.44Å; Y26-F51 HydrophobicContact CD1-CD2 3.44Å; Y26-F51 VanDerWaalsContact CD1-CD2 3.44Å; Y26-F51 HydrophobicContact CD1-CE2 4.35Å; Y26-F51 HydrophobicContact CD1-CG 4.17Å; Y26-F51 AromaticContact CD2-CD2 3.98Å; Y26-F51 HydrophobicContact CD2-CD2 3.98Å; Y26-F51 HydrophobicContact CD2-CE2 4.35Å; Y26-F51 HydrophobicContact CE1-CB 3.75Å; Y26-F51 AromaticContact CE1-CD2 3.77Å; Y26-F51 HydrophobicContact CE1-CD2 3.77Å; Y26-F51 HydrophobicContact CE1-CG 4.27Å; Y26-F51 HydrophobicContact CE2-CD2 4.26Å; Y26-F51 AromaticContact CG-CD2 3.56Å; Y26-F51 HydrophobicContact CG-CD2 3.56Å; Y26-F51 HydrophobicContact CG-CE2 4.06Å; T47-F51 PolarHBondContact O-N 3.37Å; M48-F51 HydrophobicContact SD-CD1 4.49Å; F51-D53 PolarHBondContact O-N 2.92Å; F51-E54 PolarHBondContact O-N 3.44Å; F51-V55 HydrophobicContact CD2-CG2 3.69Å; F51-V55 HydrophobicContact CE1-CG2 4.41Å; F51-V55 HydrophobicContact CE2-CG2 3.45Å; F51-V55 VanDerWaalsContact CE2-CG2 3.45Å; F51-V55 HydrophobicContact CG-CG2 4.32Å; F51-V55 HydrophobicContact CZ-CG2 3.84Å; F51-V55 WeakPolarHBondContact O-CB 3.45Å; F51-V55 VanDerWaalsContact O-CG2 3.29Å; F51-V55 WeakPolarHBondContact O-CG2 3.29Å; F51-V55 PolarHBondContact O-N 3.03Å; F51-F82 AromaticContact CE2-CE1 3.86Å; F51-F82 HydrophobicContact CE2-CE1 3.86Å; F51-F82 AromaticContact CE2-CZ 3.83Å; F51-F82 HydrophobicContact CE2-CZ 3.83Å; F51-F82 AromaticContact CZ-CE1 3.8Å; F51-F82 HydrophobicContact CZ-CE1 3.8Å; F51-F82 AromaticContact CZ-CZ 3.83Å; F51-F82 HydrophobicContact CZ-CZ 3.83Å; F51-L123 HydrophobicContact CE1-CD2 4.47Å; F51-L123 HydrophobicContact CZ-CD2 4.2Å; F51-M124 HydrophobicContact CD1-SD 3.85Å; F51-M124 HydrophobicContact CE1-SD 3.74Å; F51-L127 HydrophobicContact CE1-CD1 3.71Å; F51-L127 HydrophobicContact CZ-CD1 3.88Å |
| 52 | K | 96 | Very high | 94.3 | Very high | 76 Ų | 76 | 59.2 Ų | 59.2 | 33% | 0.33 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59 | -47.4 | 179.7 | -167.8 | 179.7 | -178.9 | 169.7 | 0 | 111.8 | M48 S49 Q50 S56 I120 N121 | M48-K52 WeakPolarHBondContact O-CB 3.41Å; M48-K52 PolarHBondContact O-N 2.89Å; S49-K52 PolarHBondContact O-N 2.93Å; Q50-K52 VanDerWaalsContact C-N 3.32Å; Q50-K52 PolarHBondContact O-N 3.14Å; K52-S56 VanDerWaalsContact O-CB 3.25Å; K52-S56 WeakPolarHBondContact O-CB 3.37Å; K52-S56 PolarHBondContact O-N 3.41Å; K52-S56 VanDerWaalsContact O-N 3.1Å; K52-S56 PolarHBondContact O-OG 2.84Å; K52-I120 HydrophobicContact CD-CG1 4.33Å; K52-I120 HydrophobicContact CG-CD1 4.12Å; K52-I120 HydrophobicContact CG-CG1 3.46Å; K52-I120 VanDerWaalsContact CG-CG1 3.46Å; K52-N121 PolarHBondContact NZ-OD1 3.06Å |
| 53 | D | 96.5 | Very high | 94.3 | Very high | 97 Ų | 97 | 59.2 Ų | 59.2 | 52% | 0.519 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.4 | -47.8 | 177.9 | -178.5 | -101.2 | 0 | 0 | 0 | 111.5 | S49 Q50 F51 S56 K57 | S49-D53 PolarHBondContact O-N 2.93Å; Q50-D53 PolarHBondContact O-N 2.95Å; F51-D53 PolarHBondContact O-N 2.92Å; D53-S56 PolarHBondContact O-N 3.29Å; D53-K57 PolarHBondContact O-N 3.38Å; D53-K57 WeakPolarHBondContact OD1-CE 3.21Å; D53-K57 IonicContact OD1-NZ 3.63Å; D53-K57 PolarHBondContact OD1-NZ 3.35Å |
| 54 | E | 97.1 | Very high | 94.4 | Very high | 34 Ų | 34 | 56.4 Ų | 56.4 | 16% | 0.159 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.7 | -49.3 | -176.3 | -166.7 | 63 | -157.2 | 0 | 0 | 111.7 | Y26 L28 K40 Q50 F51 S56 K57 Y58 | Y26-E54 HydrophobicContact CE2-CG 4.48Å; Y26-E54 VanDerWaalsContact OH-CB 3.28Å; Y26-E54 WeakPolarHBondContact OH-CB 3.35Å; Y26-E54 WeakPolarHBondContact OH-CG 3.37Å; L28-E54 HydrophobicContact CD1-CG 4.2Å; K40-E54 HydrophobicContact CG-CG 4.25Å; Q50-E54 WeakPolarHBondContact O-CB 3.49Å; Q50-E54 PolarHBondContact O-N 3.09Å; F51-E54 PolarHBondContact O-N 3.44Å; E54-S56 VanDerWaalsContact C-N 3.28Å; E54-S56 PolarHBondContact O-N 3.08Å; E54-K57 WeakPolarHBondContact O-CB 3.33Å; E54-K57 PolarHBondContact O-N 3.24Å; E54-K57 VanDerWaalsContact O-N 3.16Å; E54-K57 IonicContact OE2-NZ 2.71Å; E54-K57 PolarHBondContact OE2-NZ 2.91Å; E54-Y58 HydrophobicContact CG-CE2 4.29Å; E54-Y58 WeakPolarHBondContact O-CD2 3.5Å; E54-Y58 WeakPolarHBondContact O-CE2 3.41Å; E54-Y58 PolarHBondContact OE1-OH 3.03Å |
| 55 | V | 96.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.3 | -34.7 | 180 | 175.2 | 0 | 0 | 0 | 0 | 111.5 | L28 F51 K57 Y58 Q59 F82 L84 I120 L123 | L28-V55 HydrophobicContact CD1-CG2 3.95Å; L28-V55 HydrophobicContact CD2-CG2 3.75Å; L28-V55 HydrophobicContact CG-CG2 4.49Å; F51-V55 HydrophobicContact CD2-CG2 3.69Å; F51-V55 HydrophobicContact CE1-CG2 4.41Å; F51-V55 HydrophobicContact CE2-CG2 3.45Å; F51-V55 VanDerWaalsContact CE2-CG2 3.45Å; F51-V55 HydrophobicContact CG-CG2 4.32Å; F51-V55 HydrophobicContact CZ-CG2 3.84Å; F51-V55 WeakPolarHBondContact O-CB 3.45Å; F51-V55 VanDerWaalsContact O-CG2 3.29Å; F51-V55 WeakPolarHBondContact O-CG2 3.29Å; F51-V55 PolarHBondContact O-N 3.03Å; V55-K57 PolarHBondContact O-N 2.54Å; V55-Y58 PolarHBondContact O-N 2.88Å; V55-Q59 PolarHBondContact O-N 3.3Å; V55-F82 HydrophobicContact CG1-CE2 4.12Å; V55-F82 HydrophobicContact CG1-CZ 4.43Å; V55-F82 HydrophobicContact CG2-CZ 4.15Å; V55-L84 HydrophobicContact CG1-CD2 3.32Å; V55-I120 HydrophobicContact CB-CD1 3.93Å; V55-I120 HydrophobicContact CG1-CD1 3.77Å; V55-L123 HydrophobicContact CG1-CD2 3.92Å |
| 56 | S | 95 | Very high | 94.9 | Very high | 31 Ų | 31 | 47.2 Ų | 47.2 | 22% | 0.217 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.2 | -27.4 | 177 | -66.3 | 0 | 0 | 0 | 0 | 113.4 | K52 D53 E54 Y58 Q59 I120 | K52-S56 VanDerWaalsContact O-CB 3.25Å; K52-S56 WeakPolarHBondContact O-CB 3.37Å; K52-S56 PolarHBondContact O-N 3.41Å; K52-S56 VanDerWaalsContact O-N 3.1Å; K52-S56 PolarHBondContact O-OG 2.84Å; D53-S56 PolarHBondContact O-N 3.29Å; E54-S56 VanDerWaalsContact C-N 3.28Å; E54-S56 PolarHBondContact O-N 3.08Å; S56-Y58 PolarHBondContact O-N 2.88Å; S56-Q59 WeakPolarHBondContact O-CG 3.18Å; S56-Q59 PolarHBondContact O-NE2 3.06Å; S56-I120 WeakPolarHBondContact OG-CG1 3.38Å |
| 57 | K | 95 | Very high | 94.9 | Very high | 112 Ų | 112 | 46.5 Ų | 46.5 | 49% | 0.487 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -23.6 | 177.3 | -63.8 | 164.6 | -167.4 | 163.8 | 0 | 112.3 | D53 E54 V55 | D53-K57 PolarHBondContact O-N 3.38Å; D53-K57 WeakPolarHBondContact OD1-CE 3.21Å; D53-K57 IonicContact OD1-NZ 3.63Å; D53-K57 PolarHBondContact OD1-NZ 3.35Å; E54-K57 WeakPolarHBondContact O-CB 3.33Å; E54-K57 PolarHBondContact O-N 3.24Å; E54-K57 VanDerWaalsContact O-N 3.16Å; E54-K57 IonicContact OE2-NZ 2.71Å; E54-K57 PolarHBondContact OE2-NZ 2.91Å; V55-K57 PolarHBondContact O-N 2.54Å |
| 58 | Y | 94.1 | Very high | 94.9 | Very high | 44 Ų | 44 | 43.2 Ų | 43.2 | 17% | 0.173 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | -12.2 | -173.5 | -56.6 | -71.9 | 0 | 0 | 0 | 114.2 | L28 Q30 I39 E54 V55 S56 N60 K61 G62 C63 | L28-Y58 HydrophobicContact CD1-CD2 3.95Å; L28-Y58 HydrophobicContact CD1-CE2 3.84Å; Q30-Y58 VanDerWaalsContact NE2-CD1 3.29Å; I39-Y58 HydrophobicContact CD1-CD1 3.81Å; I39-Y58 HydrophobicContact CD1-CD2 4.14Å; I39-Y58 HydrophobicContact CD1-CE1 3.49Å; I39-Y58 VanDerWaalsContact CD1-CE1 3.49Å; I39-Y58 HydrophobicContact CD1-CE2 3.86Å; I39-Y58 HydrophobicContact CD1-CG 4.1Å; E54-Y58 HydrophobicContact CG-CE2 4.29Å; E54-Y58 WeakPolarHBondContact O-CD2 3.5Å; E54-Y58 WeakPolarHBondContact O-CE2 3.41Å; E54-Y58 PolarHBondContact OE1-OH 3.03Å; V55-Y58 PolarHBondContact O-N 2.88Å; S56-Y58 PolarHBondContact O-N 2.88Å; Y58-N60 VanDerWaalsContact C-N 3.26Å; Y58-N60 PolarHBondContact O-N 3.49Å; Y58-N60 VanDerWaalsContact O-N 3.12Å; Y58-K61 CarbonylContact O-C 3.58Å; Y58-K61 WeakPolarHBondContact O-CA 3.08Å; Y58-K61 PolarHBondContact O-N 2.96Å; Y58-G62 PolarHBondContact O-N 2.87Å; Y58-C63 HydrophobicContact CG-CB 4.46Å |
| 59 | Q | 90.3 | Very high | 94.8 | Very high | 38 Ų | 38 | 42.9 Ų | 42.9 | 18% | 0.178 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -38.1 | -173.2 | 73.3 | -167.9 | -63.9 | 0 | 0 | 113.6 | V55 S56 K61 G62 L84 S86 | V55-Q59 PolarHBondContact O-N 3.3Å; S56-Q59 WeakPolarHBondContact O-CG 3.18Å; S56-Q59 PolarHBondContact O-NE2 3.06Å; Q59-K61 VanDerWaalsContact C-N 3.29Å; Q59-K61 PolarHBondContact O-N 3.07Å; Q59-G62 PolarHBondContact O-N 3.25Å; Q59-L84 HydrophobicContact CB-CD2 3.78Å; Q59-L84 HydrophobicContact CB-CG 4.04Å; Q59-S86 WeakPolarHBondContact O-CB 3.48Å; Q59-S86 PolarHBondContact O-N 2.9Å |
| 60 | N | 90.4 | Very high | 94 | Very high | 92 Ų | 92 | 43.4 Ų | 43.4 | 49% | 0.492 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -14.3 | 179.5 | -67.8 | -28 | 0 | 0 | 0 | 114.1 | Y58 S86 A89 | Y58-N60 VanDerWaalsContact C-N 3.26Å; Y58-N60 PolarHBondContact O-N 3.49Å; Y58-N60 VanDerWaalsContact O-N 3.12Å; N60-S86 WeakPolarHBondContact OD1-CB 3.27Å; N60-A89 VanDerWaalsContact O-CB 3.27Å; N60-A89 WeakPolarHBondContact O-CB 3.5Å |
| 61 | K | 92.1 | Very high | 92.6 | Very high | 142 Ų | 142 | 39.8 Ų | 39.8 | 62% | 0.617 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | -25 | 174.8 | -64.6 | -178.6 | 179.8 | 178.9 | 0 | 112.2 | Y58 Q59 Y97 | Y58-K61 CarbonylContact O-C 3.58Å; Y58-K61 WeakPolarHBondContact O-CA 3.08Å; Y58-K61 PolarHBondContact O-N 2.96Å; Q59-K61 VanDerWaalsContact C-N 3.29Å; Q59-K61 PolarHBondContact O-N 3.07Å; K61-Y97 VanDerWaalsContact O-CE2 3.29Å; K61-Y97 WeakPolarHBondContact O-CE2 3.32Å |
| 62 | G | 95.1 | Very high | 91 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | 92 | 140.4 | -167.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q30 Y58 Q59 L84 Y97 | Q30-G62 WeakPolarHBondContact CG-O 3.49Å; Q30-G62 PolarHBondContact NE2-O 3.1Å; Y58-G62 PolarHBondContact O-N 2.87Å; Q59-G62 PolarHBondContact O-N 3.25Å; G62-L84 CarbonylContact C-O 3.55Å; G62-L84 WeakPolarHBondContact CA-O 3.37Å; G62-Y97 WeakPolarHBondContact O-CE1 3.48Å; G62-Y97 PolarHBondContact O-OH 2.64Å | ||
| 63 | C | 97.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 159.2 | 167.1 | 63.3 | 0 | 0 | 0 | 0 | 110.4 | F29 Q30 Y58 L84 | F29-C63 WeakPolarHBondContact O-CA 3.22Å; Q30-C63 HydrophobicContact CG-CB 4.09Å; Y58-C63 HydrophobicContact CG-CB 4.46Å; C63-L84 PolarHBondContact N-O 2.96Å; C63-L84 PolarHBondContact O-N 2.92Å |
| 64 | Y | 97.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 162.6 | 160.3 | -47.3 | -64 | 0 | 0 | 0 | 109.4 | L28 F29 I31 I36 Y81 F82 Y97 T100 R101 L104 | L28-Y64 WeakPolarHBondContact CA-O 3.15Å; F29-Y64 HydrophobicContact CB-CD2 4.43Å; F29-Y64 PolarHBondContact N-O 2.91Å; F29-Y64 PolarHBondContact O-N 2.82Å; I31-Y64 HydrophobicContact CD1-CE2 4.37Å; I31-Y64 HydrophobicContact CG1-CE2 4.19Å; I36-Y64 HydrophobicContact CD1-CE2 4.3Å; I36-Y64 HydrophobicContact CG2-CD2 4.12Å; I36-Y64 HydrophobicContact CG2-CE2 4.36Å; Y64-Y81 WeakPolarHBondContact CD1-OH 3.36Å; Y64-Y81 HydrophobicContact CG-CE2 4.34Å; Y64-Y81 VanDerWaalsContact CG-OH 3.3Å; Y64-F82 CarbonylContact C-O 3.52Å; Y64-F82 WeakPolarHBondContact CA-O 3.38Å; Y64-Y97 HydrophobicContact CD1-CD1 4.13Å; Y64-Y97 HydrophobicContact CD2-CD1 4.36Å; Y64-Y97 HydrophobicContact CD2-CE1 4.26Å; Y64-Y97 AromaticContact CE1-CD1 3.6Å; Y64-Y97 HydrophobicContact CE1-CD1 3.6Å; Y64-Y97 HydrophobicContact CE1-CE1 4.41Å; Y64-Y97 HydrophobicContact CE1-CG 4.43Å; Y64-Y97 AromaticContact CE2-CD1 3.85Å; Y64-Y97 HydrophobicContact CE2-CD1 3.85Å; Y64-Y97 AromaticContact CE2-CE1 4Å; Y64-Y97 HydrophobicContact CE2-CE1 4Å; Y64-Y97 HydrophobicContact CG-CD1 4.49Å; Y64-Y97 AromaticContact CZ-CD1 3.44Å; Y64-Y97 VanDerWaalsContact CZ-CD1 3.44Å; Y64-Y97 VanDerWaalsContact OH-C 3.3Å; Y64-Y97 VanDerWaalsContact OH-CA 3.22Å; Y64-Y97 WeakPolarHBondContact OH-CA 3.28Å; Y64-Y97 PolarHBondContact OH-O 2.82Å; Y64-T100 HydrophobicContact CE2-CG2 4.49Å; Y64-T100 VanDerWaalsContact OH-CB 3.27Å; Y64-T100 WeakPolarHBondContact OH-CB 3.48Å; Y64-R101 HydrophobicContact CE1-CB 3.82Å; Y64-R101 HydrophobicContact CE1-CG 4.23Å; Y64-R101 PolarHBondContact OH-N 2.92Å; Y64-R101 VanDerWaalsContact OH-N 3.09Å; Y64-L104 HydrophobicContact CD2-CD2 3.74Å; Y64-L104 HydrophobicContact CG-CD2 3.98Å |
| 65 | G | 97.9 | Very high | 85 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 161.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | V27 Y81 F82 | V27-G65 CarbonylContact O-C 3.57Å; V27-G65 WeakPolarHBondContact O-CA 3.39Å; G65-Y81 CarbonylContact O-C 3.5Å; G65-Y81 WeakPolarHBondContact O-CA 3.39Å; G65-Y81 WeakPolarHBondContact O-CD2 3.2Å; G65-F82 VanDerWaalsContact CA-CE1 3.49Å; G65-F82 PolarHBondContact N-O 2.95Å; G65-F82 VanDerWaalsContact O-CD1 3.27Å; G65-F82 WeakPolarHBondContact O-CD1 3.18Å; G65-F82 PolarHBondContact O-N 3.45Å |
| 66 | V | 97.4 | Very high | 83.4 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 130.6 | 163.7 | 179.2 | 0 | 0 | 0 | 0 | 106.7 | Y15 M18 Y26 V27 F29 L79 I80 Y81 L108 L111 | Y15-V66 HydrophobicContact CD2-CG1 4.28Å; Y15-V66 HydrophobicContact CD2-CG2 4.08Å; Y15-V66 HydrophobicContact CE2-CG1 3.99Å; Y15-V66 HydrophobicContact CE2-CG2 4.19Å; M18-V66 HydrophobicContact CE-CB 4.42Å; M18-V66 HydrophobicContact CE-CG1 3.86Å; M18-V66 HydrophobicContact SD-CB 4.19Å; M18-V66 HydrophobicContact SD-CG1 3.93Å; Y26-V66 CarbonylContact C-O 3.48Å; Y26-V66 WeakPolarHBondContact CA-O 3.45Å; Y26-V66 WeakPolarHBondContact CB-O 3.03Å; V27-V66 PolarHBondContact N-O 2.61Å; V27-V66 PolarHBondContact O-N 3Å; F29-V66 HydrophobicContact CE2-CG2 4.12Å; V66-L79 HydrophobicContact CG1-CB 4.14Å; V66-L79 HydrophobicContact CG1-CD2 4.05Å; V66-I80 WeakPolarHBondContact CA-O 3.35Å; V66-Y81 HydrophobicContact CG2-CD2 3.91Å; V66-L108 HydrophobicContact CG2-CD1 3.68Å; V66-L111 HydrophobicContact CG1-CD2 4.24Å; V66-L111 HydrophobicContact CG2-CD2 4.25Å |
| 67 | V | 95.5 | Very high | 82 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 136.4 | 171.5 | 59.6 | 0 | 0 | 0 | 0 | 108.9 | M48 L79 I80 L127 | M48-V67 HydrophobicContact CE-CG2 4.36Å; V67-L79 WeakPolarHBondContact O-CA 3.28Å; V67-I80 HydrophobicContact CG1-CB 3.98Å; V67-I80 PolarHBondContact N-O 3.48Å; V67-I80 PolarHBondContact O-N 3.34Å; V67-L127 HydrophobicContact CG1-CD1 4.29Å; V67-L127 HydrophobicContact CG1-CD2 3.48Å; V67-L127 VanDerWaalsContact CG1-CD2 3.48Å |
| 68 | D | 92.8 | Very high | 81.6 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.011 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 97.8 | 167.3 | -169.2 | 7 | 0 | 0 | 0 | 107.8 | M18 H22 R25 R44 N78 L79 | M18-D68 HydrophobicContact CE-CB 3.59Å; H22-D68 IonicContact ND1-OD2 3.21Å; H22-D68 PolarHBondContact ND1-OD2 3.37Å; R25-D68 PolarHBondContact O-N 3.39Å; R44-D68 IonicContact CZ-OD2 3.05Å; R44-D68 VanDerWaalsContact NH1-CG 3.26Å; R44-D68 IonicContact NH1-OD2 3.28Å; R44-D68 PolarHBondContact NH1-OD2 2.97Å; R44-D68 IonicContact NH2-OD2 3.37Å; D68-N78 PolarHBondContact OD1-N 3.47Å; D68-N78 VanDerWaalsContact OD1-N 3.1Å; D68-L79 HydrophobicContact CB-CD2 3.88Å |
| 69 | Y | 87.9 | Confident | 81.5 | Confident | 43 Ų | 43 | 49.7 Ų | 49.7 | 17% | 0.169 | 29% | 0.286 | C | S | . | . | trans | -88.2 | 118.6 | -171.3 | -159.2 | -81.8 | 0 | 0 | 0 | 110.9 | M48 C71 N78 I80 L127 A131 | M48-Y69 HydrophobicContact CE-CD2 3.96Å; M48-Y69 HydrophobicContact CE-CE2 4.05Å; M48-Y69 HydrophobicContact SD-CE2 4.31Å; Y69-C71 PolarHBondContact O-N 3.29Å; Y69-N78 PolarHBondContact N-O 3.02Å; Y69-N78 WeakPolarHBondContact O-CB 3.05Å; Y69-N78 PolarHBondContact O-ND2 3.46Å; Y69-I80 HydrophobicContact CG-CD1 4.47Å; Y69-L127 HydrophobicContact CD2-CB 4.46Å; Y69-L127 HydrophobicContact CE2-CB 4.26Å; Y69-A131 HydrophobicContact CD1-CB 3.37Å; Y69-A131 HydrophobicContact CE1-CB 3.39Å; Y69-A131 HydrophobicContact CG-CB 4.18Å | ||
| 70 | E | 77.7 | Confident | 81.8 | Confident | 105 Ų | 105 | 48 Ų | 48 | 49% | 0.491 | 28% | 0.278 | S | S | . | . | trans | -82.2 | 111.1 | 179.1 | -68.9 | 175.6 | 131.1 | 0 | 0 | 110 | R25 R44 | R25-E70 IonicContact CZ-OE2 2.75Å; R25-E70 IonicContact NH1-OE2 3.34Å; R25-E70 PolarHBondContact NH1-OE2 2.81Å; R25-E70 IonicContact NH2-OE2 3.41Å; R25-E70 PolarHBondContact NH2-OE2 2.71Å; R44-E70 IonicContact CZ-OE1 3.66Å; R44-E70 IonicContact NE-OE1 3.47Å; R44-E70 PolarHBondContact NE-OE1 3.26Å; R44-E70 IonicContact NH2-OE1 2.73Å; R44-E70 PolarHBondContact NH2-OE1 2.91Å | ||
| 71 | C | 65.9 | Low | 82.1 | Confident | 20 Ų | 20 | 43.6 Ų | 43.6 | 14% | 0.135 | 25% | 0.254 | C | S | . | . | trans | -87.4 | 127.7 | 166.5 | -70.9 | 0 | 0 | 0 | 0 | 109.6 | Y69 G73 G74 N78 A131 | Y69-C71 PolarHBondContact O-N 3.29Å; C71-G73 PolarHBondContact O-N 2.95Å; C71-G74 PolarHBondContact O-N 3.06Å; C71-N78 PolarHBondContact SG-ND2 3.08Å; C71-N78 VanDerWaalsContact SG-ND2 3.39Å; C71-A131 VanDerWaalsContact SG-CB 3.52Å; C71-A131 PolarHBondContact SG-O 3.43Å | ||
| 72 | E | 61.3 | Low | 82.4 | Confident | 171 Ų | 171 | 36.9 Ų | 36.9 | 80% | 0.799 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 114.4 | 168.2 | -67.1 | -173.7 | 125 | 0 | 0 | 110.2 | K135 | E72-K135 WeakPolarHBondContact O-CE 3.4Å; E72-K135 PolarHBondContact O-NZ 3.16Å |
| 73 | G | 53.9 | Low | 82.5 | Confident | 84 Ų | 84 | 37.1 Ų | 37.1 | 87% | 0.866 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 87 | -2.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | C71 | C71-G73 PolarHBondContact O-N 2.95Š|
| 74 | G | 54.2 | Low | 82.5 | Confident | 43 Ų | 43 | 37.1 Ų | 37.1 | 44% | 0.443 | 23% | 0.227 | S | C | . | . | trans | -72.3 | 127.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | C71 | C71-G74 PolarHBondContact O-N 3.06Š| ||
| 75 | K | 55.8 | Low | 82.4 | Confident | 209 Ų | 209 | 37.7 Ų | 37.7 | 91% | 0.909 | 23% | 0.23 | S | C | * | . | trans | -87.7 | 113.6 | 165.9 | -70.3 | -176.1 | 177.8 | -179.5 | 0 | 108.5 | ||||
| 76 | G | 63.5 | Low | 82.3 | Confident | 61 Ų | 61 | 38.3 Ų | 38.3 | 63% | 0.629 | 23% | 0.234 | S | C | * | . | S | Bend | trans | 117.2 | 170.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 77 | A | 66.6 | Low | 82 | Confident | 28 Ų | 28 | 42.7 Ų | 42.7 | 23% | 0.231 | 26% | 0.258 | C | S | . | . | trans | -64 | 134.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | H22 L79 K112 | H22-A77 WeakPolarHBondContact CE1-CB 3.32Å; A77-L79 HydrophobicContact CB-CD1 4.38Å; A77-L79 HydrophobicContact CB-CG 3.96Å; A77-K112 WeakPolarHBondContact O-CE 3.3Å | ||
| 78 | N | 85.8 | Confident | 81.8 | Confident | 3 Ų | 3 | 47.7 Ų | 47.7 | 2% | 0.016 | 29% | 0.293 | C | S | . | . | trans | -110 | 75 | 164.5 | -52.4 | -43.3 | 0 | 0 | 0 | 108.1 | D68 Y69 C71 I80 K112 | D68-N78 PolarHBondContact OD1-N 3.47Å; D68-N78 VanDerWaalsContact OD1-N 3.1Å; Y69-N78 PolarHBondContact N-O 3.02Å; Y69-N78 WeakPolarHBondContact O-CB 3.05Å; Y69-N78 PolarHBondContact O-ND2 3.46Å; C71-N78 PolarHBondContact SG-ND2 3.08Å; C71-N78 VanDerWaalsContact SG-ND2 3.39Å; N78-I80 PolarHBondContact O-N 3.23Å; N78-I80 VanDerWaalsContact O-N 3.14Å; N78-K112 HydrophobicContact CB-CD 4.09Å; N78-K112 WeakPolarHBondContact OD1-CD 3.26Å; N78-K112 WeakPolarHBondContact OD1-CE 3.31Å; N78-K112 PolarHBondContact OD1-NZ 2.69Å | ||
| 79 | L | 93.2 | Very high | 81.8 | Confident | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.016 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 104.6 | 175.3 | -61.8 | 173.4 | 0 | 0 | 0 | 108.5 | Y15 M18 K19 V66 V67 D68 A77 L111 K112 | Y15-L79 HydrophobicContact CE2-CD1 3.99Å; M18-L79 HydrophobicContact CE-CD2 3.78Å; M18-L79 HydrophobicContact CG-CD2 4.18Å; M18-L79 HydrophobicContact SD-CD2 4.31Å; K19-L79 HydrophobicContact CB-CD1 3.74Å; K19-L79 HydrophobicContact CD-CD1 4.16Å; K19-L79 HydrophobicContact CG-CD1 3.73Å; V66-L79 HydrophobicContact CG1-CB 4.14Å; V66-L79 HydrophobicContact CG1-CD2 4.05Å; V67-L79 WeakPolarHBondContact O-CA 3.28Å; D68-L79 HydrophobicContact CB-CD2 3.88Å; A77-L79 HydrophobicContact CB-CD1 4.38Å; A77-L79 HydrophobicContact CB-CG 3.96Å; L79-L111 HydrophobicContact CB-CD2 4.13Å; L79-L111 WeakPolarHBondContact O-CA 3.32Å; L79-K112 PolarHBondContact O-N 2.72Å |
| 80 | I | 95 | Very high | 82 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 121.9 | 177.5 | -59.9 | 168.3 | 0 | 0 | 0 | 107.7 | V66 V67 Y69 N78 A113 I115 L127 | V66-I80 WeakPolarHBondContact CA-O 3.35Å; V67-I80 HydrophobicContact CG1-CB 3.98Å; V67-I80 PolarHBondContact N-O 3.48Å; V67-I80 PolarHBondContact O-N 3.34Å; Y69-I80 HydrophobicContact CG-CD1 4.47Å; N78-I80 PolarHBondContact O-N 3.23Å; N78-I80 VanDerWaalsContact O-N 3.14Å; I80-A113 HydrophobicContact CG1-CB 4.41Å; I80-A113 HydrophobicContact CG2-CB 4.06Å; I80-I115 HydrophobicContact CG2-CD1 3.48Å; I80-I115 VanDerWaalsContact CG2-CD1 3.48Å; I80-I115 HydrophobicContact CG2-CG1 4Å; I80-L127 HydrophobicContact CB-CD2 4.05Å; I80-L127 HydrophobicContact CD1-CD2 4.15Å; I80-L127 HydrophobicContact CG2-CD2 3.62Å |
| 81 | Y | 97.5 | Very high | 82.8 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 142.2 | 173.4 | 175.9 | -117.8 | 0 | 0 | 0 | 109.8 | Y64 G65 V66 R101 L104 L108 L111 A113 D114 I115 | Y64-Y81 WeakPolarHBondContact CD1-OH 3.36Å; Y64-Y81 HydrophobicContact CG-CE2 4.34Å; Y64-Y81 VanDerWaalsContact CG-OH 3.3Å; G65-Y81 CarbonylContact O-C 3.5Å; G65-Y81 WeakPolarHBondContact O-CA 3.39Å; G65-Y81 WeakPolarHBondContact O-CD2 3.2Å; V66-Y81 HydrophobicContact CG2-CD2 3.91Å; Y81-R101 HydrophobicContact CE1-CG 3.63Å; Y81-R101 WeakPolarHBondContact OH-CG 3.25Å; Y81-R101 PolarHBondContact OH-O 2.6Å; Y81-L104 HydrophobicContact CE2-CD2 3.64Å; Y81-L104 HydrophobicContact CE2-CG 4.13Å; Y81-L108 HydrophobicContact CD2-CD1 3.79Å; Y81-L108 HydrophobicContact CE2-CD1 4.07Å; Y81-L108 HydrophobicContact CG-CD1 4.37Å; Y81-L111 VanDerWaalsContact CB-CD1 3.43Å; Y81-L111 HydrophobicContact CD1-CD1 4.3Å; Y81-L111 HydrophobicContact CG-CD1 3.98Å; Y81-A113 PolarHBondContact N-O 2.86Å; Y81-D114 HydrophobicContact CD1-CB 4.37Å; Y81-D114 VanDerWaalsContact CD1-CG 3.45Å; Y81-D114 WeakPolarHBondContact CD1-OD1 3.35Å; Y81-D114 WeakPolarHBondContact CE1-OD1 3.29Å; Y81-D114 WeakPolarHBondContact O-CA 3.42Å; Y81-I115 PolarHBondContact O-N 2.83Å |
| 82 | F | 97.7 | Very high | 83.9 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 154.2 | 177.4 | 68.9 | -92.9 | 0 | 0 | 0 | 112.9 | L28 F51 V55 Y64 G65 L84 I115 L123 | L28-F82 HydrophobicContact CD2-CE2 4.48Å; L28-F82 HydrophobicContact CD2-CZ 3.7Å; F51-F82 AromaticContact CE2-CE1 3.86Å; F51-F82 HydrophobicContact CE2-CE1 3.86Å; F51-F82 AromaticContact CE2-CZ 3.83Å; F51-F82 HydrophobicContact CE2-CZ 3.83Å; F51-F82 AromaticContact CZ-CE1 3.8Å; F51-F82 HydrophobicContact CZ-CE1 3.8Å; F51-F82 AromaticContact CZ-CZ 3.83Å; F51-F82 HydrophobicContact CZ-CZ 3.83Å; V55-F82 HydrophobicContact CG1-CE2 4.12Å; V55-F82 HydrophobicContact CG1-CZ 4.43Å; V55-F82 HydrophobicContact CG2-CZ 4.15Å; Y64-F82 CarbonylContact C-O 3.52Å; Y64-F82 WeakPolarHBondContact CA-O 3.38Å; G65-F82 VanDerWaalsContact CA-CE1 3.49Å; G65-F82 PolarHBondContact N-O 2.95Å; G65-F82 VanDerWaalsContact O-CD1 3.27Å; G65-F82 WeakPolarHBondContact O-CD1 3.18Å; G65-F82 PolarHBondContact O-N 3.45Å; F82-L84 HydrophobicContact CD2-CB 4.3Å; F82-L84 HydrophobicContact CE2-CB 4.4Å; F82-I115 CarbonylContact C-O 3.48Å; F82-I115 VanDerWaalsContact CA-O 3.22Å; F82-I115 WeakPolarHBondContact CA-O 3.36Å; F82-I115 HydrophobicContact CB-CB 4.17Å; F82-L123 HydrophobicContact CB-CD1 3.54Å; F82-L123 HydrophobicContact CD1-CD1 4.37Å; F82-L123 HydrophobicContact CD2-CD1 3.79Å; F82-L123 HydrophobicContact CD2-CD2 3.64Å; F82-L123 HydrophobicContact CD2-CG 4.4Å; F82-L123 HydrophobicContact CE2-CD2 3.65Å; F82-L123 HydrophobicContact CG-CD1 3.66Å; F82-L123 HydrophobicContact CG-CD2 4.18Å; F82-L123 HydrophobicContact CZ-CD2 4.18Å |
| 83 | S | 97.4 | Very high | 85.3 | Confident | 6 Ų | 6 | 45 Ų | 45 | 4% | 0.042 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 124.2 | 165.6 | 178.6 | 0 | 0 | 0 | 0 | 108.8 | I115 A117 | S83-I115 PolarHBondContact N-O 2.84Å; S83-A117 PolarHBondContact O-N 3.31Å |
| 84 | L | 97.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 116 | 174.8 | 177 | 65.3 | 0 | 0 | 0 | 109.9 | V55 Q59 G62 C63 F82 A117 D119 I120 L123 | V55-L84 HydrophobicContact CG1-CD2 3.32Å; Q59-L84 HydrophobicContact CB-CD2 3.78Å; Q59-L84 HydrophobicContact CB-CG 4.04Å; G62-L84 CarbonylContact C-O 3.55Å; G62-L84 WeakPolarHBondContact CA-O 3.37Å; C63-L84 PolarHBondContact N-O 2.96Å; C63-L84 PolarHBondContact O-N 2.92Å; F82-L84 HydrophobicContact CD2-CB 4.3Å; F82-L84 HydrophobicContact CE2-CB 4.4Å; L84-A117 WeakPolarHBondContact CA-O 3.41Å; L84-A117 HydrophobicContact CD1-CB 4.01Å; L84-D119 VanDerWaalsContact CD1-C 3.41Å; L84-D119 WeakPolarHBondContact CD1-O 3.42Å; L84-I120 HydrophobicContact CD2-CD1 4.37Å; L84-L123 HydrophobicContact CB-CD2 4.38Å; L84-L123 HydrophobicContact CD2-CD2 4.25Å |
| 85 | V | 96 | Very high | 89.1 | Confident | 12 Ų | 12 | 48.7 Ų | 48.7 | 7% | 0.073 | 29% | 0.285 | C | S | . | . | trans | -141.6 | 120.1 | 174.4 | -164.6 | 0 | 0 | 0 | 0 | 109.1 | A89 R94 Y97 A117 H118 | V85-A89 HydrophobicContact CG1-CB 3.9Å; V85-R94 HydrophobicContact CG1-CB 4.47Å; V85-R94 HydrophobicContact CG1-CG 3.73Å; V85-Y97 VanDerWaalsContact CG2-CB 3.46Å; V85-Y97 HydrophobicContact CG2-CD1 4.14Å; V85-Y97 HydrophobicContact CG2-CG 3.82Å; V85-A117 PolarHBondContact N-O 3.12Å; V85-H118 WeakPolarHBondContact O-CA 3.45Å | ||
| 86 | S | 95.1 | Very high | 90.8 | Very high | 12 Ų | 12 | 41.3 Ų | 41.3 | 8% | 0.084 | 26% | 0.256 | C | S | . | . | trans | -65.1 | 144.8 | -177.3 | -173.2 | 0 | 0 | 0 | 0 | 112.7 | Q59 N60 S88 A89 R94 H118 | Q59-S86 WeakPolarHBondContact O-CB 3.48Å; Q59-S86 PolarHBondContact O-N 2.9Å; N60-S86 WeakPolarHBondContact OD1-CB 3.27Å; S86-S88 PolarHBondContact O-N 2.71Å; S86-S88 PolarHBondContact OG-N 3.47Å; S86-A89 WeakPolarHBondContact O-CB 3.44Å; S86-A89 PolarHBondContact O-N 2.79Å; S86-R94 WeakPolarHBondContact O-CD 3.27Å; S86-H118 VanDerWaalsContact CA-O 3.22Å; S86-H118 WeakPolarHBondContact CA-O 3.42Å | ||
| 87 | D | 92 | Very high | 92.3 | Very high | 92 Ų | 92 | 38.9 Ų | 38.9 | 49% | 0.492 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -22.9 | 168.3 | -85.7 | -41.9 | 0 | 0 | 0 | 113.4 | A89 R94 H118 | D87-A89 VanDerWaalsContact C-N 3.28Å; D87-R94 IonicContact OD1-NH1 3.09Å; D87-R94 PolarHBondContact OD1-NH1 3.42Å; D87-R94 VanDerWaalsContact OD1-NH1 3.09Å; D87-H118 IonicContact OD1-CD2 3.83Å; D87-H118 IonicContact OD2-CD2 3.98Å; D87-H118 IonicContact OD2-CG 3.95Å |
| 88 | S | 91.3 | Very high | 93.6 | Very high | 106 Ų | 106 | 40.2 Ų | 40.2 | 74% | 0.741 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -8 | 172.9 | -60.4 | 0 | 0 | 0 | 0 | 113.3 | S86 | S86-S88 PolarHBondContact O-N 2.71Å; S86-S88 PolarHBondContact OG-N 3.47Å |
| 89 | A | 92.5 | Very high | 93.9 | Very high | 4 Ų | 4 | 42.3 Ų | 42.3 | 3% | 0.033 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -70.1 | 151.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | N60 V85 S86 D87 R94 | N60-A89 VanDerWaalsContact O-CB 3.27Å; N60-A89 WeakPolarHBondContact O-CB 3.5Å; V85-A89 HydrophobicContact CG1-CB 3.9Å; S86-A89 WeakPolarHBondContact O-CB 3.44Å; S86-A89 PolarHBondContact O-N 2.79Å; D87-A89 VanDerWaalsContact C-N 3.28Å; A89-R94 HydrophobicContact CB-CG 4.21Å; A89-R94 PolarHBondContact O-NE 3.33Å |
| 90 | P | 92.6 | Very high | 94 | Very high | 70 Ų | 70 | 42.1 Ų | 42.1 | 46% | 0.455 | 25% | 0.251 | S | S | . | . | trans | -50.1 | 138.1 | 177.1 | -27.9 | 35.2 | 0 | 0 | 0 | 112 | T92 A93 R94 | P90-T92 PolarHBondContact O-N 3.4Å; P90-T92 VanDerWaalsContact O-N 3.12Å; P90-A93 HydrophobicContact CB-CB 4.25Å; P90-A93 WeakPolarHBondContact O-CA 3.46Å; P90-A93 WeakPolarHBondContact O-CB 3.22Å; P90-A93 PolarHBondContact O-N 3.35Å; P90-R94 PolarHBondContact O-N 3.47Å | ||
| 91 | P | 93 | Very high | 93.9 | Very high | 94 Ų | 94 | 43.3 Ų | 43.3 | 61% | 0.61 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -54.7 | -35 | -179.3 | -27.3 | 34.3 | 0 | 0 | 0 | 113.4 | R94 M95 | P91-R94 PolarHBondContact O-N 3.04Å; P91-M95 WeakPolarHBondContact O-CB 3.17Å; P91-M95 PolarHBondContact O-N 3.49Å |
| 92 | T | 90.7 | Very high | 93.7 | Very high | 100 Ų | 100 | 50.9 Ų | 50.9 | 61% | 0.613 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -63 | -41.9 | 174.5 | 49.3 | 0 | 0 | 0 | 0 | 112.1 | P90 L96 | P90-T92 PolarHBondContact O-N 3.4Å; P90-T92 VanDerWaalsContact O-N 3.12Å; T92-L96 VanDerWaalsContact O-CB 3.25Å; T92-L96 WeakPolarHBondContact O-CB 3.22Å; T92-L96 PolarHBondContact O-N 3.19Å |
| 93 | A | 90.6 | Very high | 93.4 | Very high | 17 Ų | 17 | 52.4 Ų | 52.4 | 14% | 0.14 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.5 | -45.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | P90 M95 L96 Y97 | P90-A93 HydrophobicContact CB-CB 4.25Å; P90-A93 WeakPolarHBondContact O-CA 3.46Å; P90-A93 WeakPolarHBondContact O-CB 3.22Å; P90-A93 PolarHBondContact O-N 3.35Å; A93-M95 VanDerWaalsContact C-N 3.35Å; A93-M95 PolarHBondContact O-N 3.1Å; A93-L96 PolarHBondContact O-N 2.92Å; A93-Y97 WeakPolarHBondContact O-CD2 3.16Å; A93-Y97 PolarHBondContact O-N 3.45Å |
| 94 | R | 93.4 | Very high | 93.3 | Very high | 94 Ų | 94 | 52.1 Ų | 52.1 | 36% | 0.355 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -56 | -48.9 | 174.8 | -73.5 | -167.8 | -76 | 158.5 | 1.5 | 111.9 | V85 S86 D87 A89 P90 P91 L96 A98 | V85-R94 HydrophobicContact CG1-CB 4.47Å; V85-R94 HydrophobicContact CG1-CG 3.73Å; S86-R94 WeakPolarHBondContact O-CD 3.27Å; D87-R94 IonicContact OD1-NH1 3.09Å; D87-R94 PolarHBondContact OD1-NH1 3.42Å; D87-R94 VanDerWaalsContact OD1-NH1 3.09Å; A89-R94 HydrophobicContact CB-CG 4.21Å; A89-R94 PolarHBondContact O-NE 3.33Å; P90-R94 PolarHBondContact O-N 3.47Å; P91-R94 PolarHBondContact O-N 3.04Å; R94-L96 PolarHBondContact O-N 3.16Å; R94-A98 VanDerWaalsContact O-CB 3.3Å; R94-A98 WeakPolarHBondContact O-CB 3.44Å; R94-A98 PolarHBondContact O-N 2.86Å |
| 95 | M | 93 | Very high | 93.1 | Very high | 109 Ų | 109 | 53.2 Ų | 53.2 | 54% | 0.537 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 176.8 | -173.9 | -176.1 | 71.6 | 0 | 0 | 112 | P91 A93 A98 T99 | P91-M95 WeakPolarHBondContact O-CB 3.17Å; P91-M95 PolarHBondContact O-N 3.49Å; A93-M95 VanDerWaalsContact C-N 3.35Å; A93-M95 PolarHBondContact O-N 3.1Å; M95-A98 PolarHBondContact O-N 3.29Å; M95-T99 HydrophobicContact CG-CG2 4.37Å; M95-T99 WeakPolarHBondContact O-CB 3.2Å; M95-T99 WeakPolarHBondContact O-CG2 3.24Å; M95-T99 PolarHBondContact O-N 2.95Å; M95-T99 PolarHBondContact O-OG1 2.84Å |
| 96 | L | 93.3 | Very high | 92.9 | Very high | 55 Ų | 55 | 57.8 Ų | 57.8 | 29% | 0.288 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.4 | -47.3 | -178.3 | -168.1 | 65.2 | 0 | 0 | 0 | 111.4 | I5 I31 T92 A93 R94 T99 T100 | I5-L96 HydrophobicContact CD1-CD1 3.47Å; I5-L96 VanDerWaalsContact CD1-CD1 3.47Å; I5-L96 HydrophobicContact CD1-CD2 4.28Å; I5-L96 HydrophobicContact CD1-CG 3.97Å; I31-L96 HydrophobicContact CD1-CD2 4.12Å; I31-L96 HydrophobicContact CD1-CG 3.82Å; I31-L96 HydrophobicContact CG2-CD2 4Å; T92-L96 VanDerWaalsContact O-CB 3.25Å; T92-L96 WeakPolarHBondContact O-CB 3.22Å; T92-L96 PolarHBondContact O-N 3.19Å; A93-L96 PolarHBondContact O-N 2.92Å; R94-L96 PolarHBondContact O-N 3.16Å; L96-T99 PolarHBondContact O-N 2.83Å; L96-T99 PolarHBondContact O-OG1 3.15Å; L96-T100 WeakPolarHBondContact O-CB 3.49Å; L96-T100 PolarHBondContact O-N 2.87Å; L96-T100 PolarHBondContact O-OG1 2.6Å |
| 97 | Y | 94.9 | Very high | 92.7 | Very high | 9 Ų | 9 | 59.3 Ų | 59.3 | 4% | 0.035 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69 | -40.7 | 179.4 | -87.4 | -97.9 | 0 | 0 | 0 | 112.2 | Q30 I31 K61 G62 Y64 V85 A93 T99 T100 R101 | Q30-Y97 WeakPolarHBondContact CB-OH 3.45Å; Q30-Y97 WeakPolarHBondContact CG-OH 3.06Å; I31-Y97 HydrophobicContact CB-CE2 4.31Å; I31-Y97 HydrophobicContact CD1-CD1 4.31Å; I31-Y97 HydrophobicContact CD1-CD2 3.98Å; I31-Y97 HydrophobicContact CD1-CE1 4.32Å; I31-Y97 HydrophobicContact CD1-CE2 4.01Å; I31-Y97 HydrophobicContact CD1-CG 4.13Å; I31-Y97 HydrophobicContact CG1-CE1 4.2Å; I31-Y97 HydrophobicContact CG1-CE2 4.24Å; I31-Y97 PolarHBondContact N-OH 2.8Å; I31-Y97 VanDerWaalsContact N-OH 3.15Å; K61-Y97 VanDerWaalsContact O-CE2 3.29Å; K61-Y97 WeakPolarHBondContact O-CE2 3.32Å; G62-Y97 WeakPolarHBondContact O-CE1 3.48Å; G62-Y97 PolarHBondContact O-OH 2.64Å; Y64-Y97 HydrophobicContact CD1-CD1 4.13Å; Y64-Y97 HydrophobicContact CD2-CD1 4.36Å; Y64-Y97 HydrophobicContact CD2-CE1 4.26Å; Y64-Y97 AromaticContact CE1-CD1 3.6Å; Y64-Y97 HydrophobicContact CE1-CD1 3.6Å; Y64-Y97 HydrophobicContact CE1-CE1 4.41Å; Y64-Y97 HydrophobicContact CE1-CG 4.43Å; Y64-Y97 AromaticContact CE2-CD1 3.85Å; Y64-Y97 HydrophobicContact CE2-CD1 3.85Å; Y64-Y97 AromaticContact CE2-CE1 4Å; Y64-Y97 HydrophobicContact CE2-CE1 4Å; Y64-Y97 HydrophobicContact CG-CD1 4.49Å; Y64-Y97 AromaticContact CZ-CD1 3.44Å; Y64-Y97 VanDerWaalsContact CZ-CD1 3.44Å; Y64-Y97 VanDerWaalsContact OH-C 3.3Å; Y64-Y97 VanDerWaalsContact OH-CA 3.22Å; Y64-Y97 WeakPolarHBondContact OH-CA 3.28Å; Y64-Y97 PolarHBondContact OH-O 2.82Å; V85-Y97 VanDerWaalsContact CG2-CB 3.46Å; V85-Y97 HydrophobicContact CG2-CD1 4.14Å; V85-Y97 HydrophobicContact CG2-CG 3.82Å; A93-Y97 WeakPolarHBondContact O-CD2 3.16Å; A93-Y97 PolarHBondContact O-N 3.45Å; Y97-T99 VanDerWaalsContact C-N 3.35Å; Y97-T99 PolarHBondContact O-N 2.91Å; Y97-T100 PolarHBondContact O-N 3.05Å; Y97-R101 WeakPolarHBondContact O-CB 3.36Å; Y97-R101 PolarHBondContact O-N 3.09Å; Y97-R101 VanDerWaalsContact O-N 3.08Å |
| 98 | A | 93.2 | Very high | 92.8 | Very high | 57 Ų | 57 | 55.3 Ų | 55.3 | 47% | 0.471 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R94 M95 | R94-A98 VanDerWaalsContact O-CB 3.3Å; R94-A98 WeakPolarHBondContact O-CB 3.44Å; R94-A98 PolarHBondContact O-N 2.86Å; M95-A98 PolarHBondContact O-N 3.29Å |
| 99 | T | 92.2 | Very high | 92.9 | Very high | 46 Ų | 46 | 54.6 Ų | 54.6 | 28% | 0.282 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -78.2 | -25.9 | -178.8 | 54.2 | 0 | 0 | 0 | 0 | 113.9 | M95 L96 Y97 | M95-T99 HydrophobicContact CG-CG2 4.37Å; M95-T99 WeakPolarHBondContact O-CB 3.2Å; M95-T99 WeakPolarHBondContact O-CG2 3.24Å; M95-T99 PolarHBondContact O-N 2.95Å; M95-T99 PolarHBondContact O-OG1 2.84Å; L96-T99 PolarHBondContact O-N 2.83Å; L96-T99 PolarHBondContact O-OG1 3.15Å; Y97-T99 VanDerWaalsContact C-N 3.35Å; Y97-T99 PolarHBondContact O-N 2.91Å |
| 100 | T | 94 | Very high | 92.8 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -89.7 | -20 | -178.1 | -55.5 | 0 | 0 | 0 | 0 | 113.2 | S3 I5 I31 I36 Y64 L96 Y97 K102 S103 | S3-T100 VanDerWaalsContact CB-OG1 3.24Å; S3-T100 WeakPolarHBondContact CB-OG1 3.17Å; S3-T100 WeakPolarHBondContact OG-CB 3.34Å; S3-T100 PolarHBondContact OG-OG1 3.48Å; I5-T100 HydrophobicContact CB-CG2 3.66Å; I5-T100 HydrophobicContact CD1-CG2 4.45Å; I5-T100 HydrophobicContact CG2-CG2 3.49Å; I5-T100 VanDerWaalsContact CG2-CG2 3.49Å; I31-T100 HydrophobicContact CD1-CG2 3.75Å; I31-T100 HydrophobicContact CG1-CG2 4.21Å; I36-T100 HydrophobicContact CD1-CG2 3.57Å; I36-T100 HydrophobicContact CG1-CG2 3.91Å; Y64-T100 HydrophobicContact CE2-CG2 4.49Å; Y64-T100 VanDerWaalsContact OH-CB 3.27Å; Y64-T100 WeakPolarHBondContact OH-CB 3.48Å; L96-T100 WeakPolarHBondContact O-CB 3.49Å; L96-T100 PolarHBondContact O-N 2.87Å; L96-T100 PolarHBondContact O-OG1 2.6Å; Y97-T100 PolarHBondContact O-N 3.05Å; T100-K102 VanDerWaalsContact C-N 3.29Å; T100-K102 PolarHBondContact O-N 2.89Å; T100-K102 VanDerWaalsContact O-N 3.15Å; T100-S103 VanDerWaalsContact O-CB 3.24Å; T100-S103 WeakPolarHBondContact O-CB 3.39Å; T100-S103 PolarHBondContact O-N 2.93Å |
| 101 | R | 93.8 | Very high | 92.8 | Very high | 26 Ų | 26 | 55.8 Ų | 55.8 | 10% | 0.098 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -49.2 | -46.7 | -174.9 | 177.8 | 179.3 | 160.4 | -140.4 | 16.6 | 113.4 | Y64 Y81 Y97 S103 L104 S105 D114 E116 | Y64-R101 HydrophobicContact CE1-CB 3.82Å; Y64-R101 HydrophobicContact CE1-CG 4.23Å; Y64-R101 PolarHBondContact OH-N 2.92Å; Y64-R101 VanDerWaalsContact OH-N 3.09Å; Y81-R101 HydrophobicContact CE1-CG 3.63Å; Y81-R101 WeakPolarHBondContact OH-CG 3.25Å; Y81-R101 PolarHBondContact OH-O 2.6Å; Y97-R101 WeakPolarHBondContact O-CB 3.36Å; Y97-R101 PolarHBondContact O-N 3.09Å; Y97-R101 VanDerWaalsContact O-N 3.08Å; R101-S103 VanDerWaalsContact C-N 3.26Å; R101-S103 PolarHBondContact O-N 2.84Å; R101-L104 PolarHBondContact O-N 3.02Å; R101-L104 VanDerWaalsContact O-N 3.08Å; R101-S105 PolarHBondContact O-N 3.02Å; R101-S105 PolarHBondContact O-OG 3.48Å; R101-D114 IonicContact CZ-OD1 2.69Å; R101-D114 IonicContact CZ-OD2 2.71Å; R101-D114 IonicContact NE-OD1 3.61Å; R101-D114 PolarHBondContact NE-OD1 2.9Å; R101-D114 IonicContact NE-OD2 2.79Å; R101-D114 PolarHBondContact NE-OD2 2.76Å; R101-D114 PolarHBondContact NH2-O 3.27Å; R101-D114 IonicContact NH2-OD1 3.66Å; R101-D114 PolarHBondContact NH2-OD1 3.2Å; R101-D114 IonicContact NH2-OD2 3.5Å; R101-D114 PolarHBondContact NH2-OD2 2.89Å; R101-E116 VanDerWaalsContact CZ-CD 3.49Å; R101-E116 IonicContact CZ-OE1 3.67Å; R101-E116 VanDerWaalsContact NH1-CG 3.31Å; R101-E116 IonicContact NH1-OE1 2.61Å; R101-E116 PolarHBondContact NH1-OE1 3.42Å; R101-E116 IonicContact NH1-OE2 2.66Å; R101-E116 PolarHBondContact NH1-OE2 2.89Å; R101-E116 IonicContact NH2-OE1 2.71Å |
| 102 | K | 92.5 | Very high | 92.6 | Very high | 160 Ų | 160 | 55.6 Ų | 55.6 | 70% | 0.696 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -64.2 | -27.8 | -179.3 | -68.1 | -173.9 | 179.9 | 178.7 | 0 | 113.6 | T100 L104 S106 | T100-K102 VanDerWaalsContact C-N 3.29Å; T100-K102 PolarHBondContact O-N 2.89Å; T100-K102 VanDerWaalsContact O-N 3.15Å; K102-L104 VanDerWaalsContact C-N 3.27Å; K102-L104 PolarHBondContact O-N 3.41Å; K102-S106 WeakPolarHBondContact O-CB 3.34Å; K102-S106 PolarHBondContact O-N 2.98Å |
| 103 | S | 92.6 | Very high | 92.7 | Very high | 31 Ų | 31 | 51.9 Ų | 51.9 | 22% | 0.217 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.4 | -35.1 | 174.9 | -61.1 | 0 | 0 | 0 | 0 | 111.5 | I5 T100 R101 | I5-S103 WeakPolarHBondContact O-CB 3.39Å; I5-S103 PolarHBondContact O-OG 3.32Å; T100-S103 VanDerWaalsContact O-CB 3.24Å; T100-S103 WeakPolarHBondContact O-CB 3.39Å; T100-S103 PolarHBondContact O-N 2.93Å; R101-S103 VanDerWaalsContact C-N 3.26Å; R101-S103 PolarHBondContact O-N 2.84Å |
| 104 | L | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -79.4 | -55 | 175.6 | -176.2 | 58.6 | 0 | 0 | 0 | 110.6 | P7 C11 F29 I36 Y64 Y81 R101 K102 S106 C107 L108 | P7-L104 HydrophobicContact CB-CD1 3.95Å; C11-L104 HydrophobicContact CB-CD1 4.19Å; F29-L104 HydrophobicContact CB-CD2 3.98Å; F29-L104 HydrophobicContact CD1-CD1 4.49Å; F29-L104 HydrophobicContact CD1-CD2 4.35Å; F29-L104 HydrophobicContact CD2-CD2 3.78Å; F29-L104 HydrophobicContact CE2-CD2 4.35Å; F29-L104 HydrophobicContact CG-CD2 3.79Å; I36-L104 HydrophobicContact CD1-CB 3.7Å; I36-L104 HydrophobicContact CG2-CD2 4.22Å; Y64-L104 HydrophobicContact CD2-CD2 3.74Å; Y64-L104 HydrophobicContact CG-CD2 3.98Å; Y81-L104 HydrophobicContact CE2-CD2 3.64Å; Y81-L104 HydrophobicContact CE2-CG 4.13Å; R101-L104 PolarHBondContact O-N 3.02Å; R101-L104 VanDerWaalsContact O-N 3.08Å; K102-L104 VanDerWaalsContact C-N 3.27Å; K102-L104 PolarHBondContact O-N 3.41Å; L104-S106 PolarHBondContact O-N 3.5Å; L104-S106 VanDerWaalsContact O-N 3.16Å; L104-C107 WeakPolarHBondContact O-CB 3.29Å; L104-C107 PolarHBondContact O-N 3.23Å; L104-L108 HydrophobicContact CD1-CD1 4.29Å; L104-L108 HydrophobicContact CD1-CD2 4.33Å; L104-L108 HydrophobicContact CD1-CG 4.41Å; L104-L108 HydrophobicContact CD2-CD1 4.47Å; L104-L108 HydrophobicContact CG-CD1 3.89Å; L104-L108 HydrophobicContact CG-CG 4.38Å; L104-L108 WeakPolarHBondContact O-CG 3.46Å |
| 105 | S | 94.2 | Very high | 93 | Very high | 24 Ų | 24 | 50.4 Ų | 50.4 | 17% | 0.168 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.2 | -29.3 | -173.9 | 60.9 | 0 | 0 | 0 | 0 | 113.7 | R101 C107 L108 | R101-S105 PolarHBondContact O-N 3.02Å; R101-S105 PolarHBondContact O-OG 3.48Å; S105-C107 PolarHBondContact O-N 2.93Å; S105-L108 PolarHBondContact O-N 3.29Å; S105-L108 VanDerWaalsContact O-N 3.09Å |
| 106 | S | 91.9 | Very high | 93.2 | Very high | 107 Ų | 107 | 49.6 Ų | 49.6 | 75% | 0.748 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -19.1 | 173.7 | -173.3 | 0 | 0 | 0 | 0 | 114 | K102 L104 | K102-S106 WeakPolarHBondContact O-CB 3.34Å; K102-S106 PolarHBondContact O-N 2.98Å; L104-S106 PolarHBondContact O-N 3.5Å; L104-S106 VanDerWaalsContact O-N 3.16Å |
| 107 | C | 91 | Very high | 93.3 | Very high | 45 Ų | 45 | 47.1 Ų | 47.1 | 30% | 0.304 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -5.1 | 176 | -63.1 | 0 | 0 | 0 | 0 | 112.8 | P7 L104 S105 | P7-C107 HydrophobicContact CG-CB 4.31Å; L104-C107 WeakPolarHBondContact O-CB 3.29Å; L104-C107 PolarHBondContact O-N 3.23Å; S105-C107 PolarHBondContact O-N 2.93Å |
| 108 | L | 93.8 | Very high | 93.4 | Very high | 7 Ų | 7 | 50.6 Ų | 50.6 | 4% | 0.037 | 29% | 0.293 | C | S | . | . | trans | -108.6 | 90.2 | -176.4 | -53.1 | 179.5 | 0 | 0 | 0 | 109 | Y15 V66 Y81 L104 S105 L111 | Y15-L108 HydrophobicContact CD1-CB 4.19Å; Y15-L108 HydrophobicContact CD1-CD2 3.65Å; Y15-L108 HydrophobicContact CD2-CB 4.44Å; Y15-L108 HydrophobicContact CD2-CD2 3.8Å; Y15-L108 HydrophobicContact CD2-CG 4.5Å; Y15-L108 HydrophobicContact CE1-CB 3.94Å; Y15-L108 HydrophobicContact CE1-CD2 4.29Å; Y15-L108 HydrophobicContact CE2-CB 4.18Å; Y15-L108 HydrophobicContact CE2-CD2 4.4Å; Y15-L108 HydrophobicContact CG-CB 4.43Å; Y15-L108 HydrophobicContact CG-CD2 3.36Å; Y15-L108 HydrophobicContact CG-CG 4.39Å; V66-L108 HydrophobicContact CG2-CD1 3.68Å; Y81-L108 HydrophobicContact CD2-CD1 3.79Å; Y81-L108 HydrophobicContact CE2-CD1 4.07Å; Y81-L108 HydrophobicContact CG-CD1 4.37Å; L104-L108 HydrophobicContact CD1-CD1 4.29Å; L104-L108 HydrophobicContact CD1-CD2 4.33Å; L104-L108 HydrophobicContact CD1-CG 4.41Å; L104-L108 HydrophobicContact CD2-CD1 4.47Å; L104-L108 HydrophobicContact CG-CD1 3.89Å; L104-L108 HydrophobicContact CG-CG 4.38Å; L104-L108 WeakPolarHBondContact O-CG 3.46Å; S105-L108 PolarHBondContact O-N 3.29Å; S105-L108 VanDerWaalsContact O-N 3.09Å; L108-L111 HydrophobicContact CB-CD1 3.67Å; L108-L111 HydrophobicContact CB-CD2 4.29Å; L108-L111 HydrophobicContact CB-CG 3.99Å; L108-L111 HydrophobicContact CD1-CD1 4.31Å; L108-L111 WeakPolarHBondContact O-CD1 3.37Å; L108-L111 WeakPolarHBondContact O-CG 3.5Å | ||
| 109 | D | 91.9 | Very high | 93.4 | Very high | 92 Ų | 92 | 50.7 Ų | 50.7 | 49% | 0.492 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 145.8 | -177.7 | 70 | -62.3 | 0 | 0 | 0 | 112.2 | Y15 K19 | Y15-D109 WeakPolarHBondContact CE1-O 3.4Å; Y15-D109 PolarHBondContact OH-O 2.91Å; K19-D109 PolarHBondContact NZ-O 3.15Å; K19-D109 IonicContact NZ-OD1 2.6Å; K19-D109 IonicContact NZ-OD2 3.23Å; K19-D109 PolarHBondContact NZ-OD2 3.08Å |
| 110 | G | 90.6 | Very high | 93.6 | Very high | 57 Ų | 57 | 49.1 Ų | 49.1 | 59% | 0.588 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.2 | 20.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 111 | L | 92.3 | Very high | 93.6 | Very high | 41 Ų | 41 | 53.7 Ų | 53.7 | 22% | 0.215 | 30% | 0.3 | C | S | . | . | trans | -65.2 | 136.3 | 166.5 | -64.8 | 172.5 | 0 | 0 | 0 | 110.2 | Y15 V66 L79 Y81 L108 | Y15-L111 HydrophobicContact CE2-CD2 3.97Å; V66-L111 HydrophobicContact CG1-CD2 4.24Å; V66-L111 HydrophobicContact CG2-CD2 4.25Å; L79-L111 HydrophobicContact CB-CD2 4.13Å; L79-L111 WeakPolarHBondContact O-CA 3.32Å; Y81-L111 VanDerWaalsContact CB-CD1 3.43Å; Y81-L111 HydrophobicContact CD1-CD1 4.3Å; Y81-L111 HydrophobicContact CG-CD1 3.98Å; L108-L111 HydrophobicContact CB-CD1 3.67Å; L108-L111 HydrophobicContact CB-CD2 4.29Å; L108-L111 HydrophobicContact CB-CG 3.99Å; L108-L111 HydrophobicContact CD1-CD1 4.31Å; L108-L111 WeakPolarHBondContact O-CD1 3.37Å; L108-L111 WeakPolarHBondContact O-CG 3.5Å | ||
| 112 | K | 90.1 | Very high | 93.7 | Very high | 90 Ų | 90 | 54.7 Ų | 54.7 | 39% | 0.391 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -81 | -36 | 175.6 | -74.9 | -153.2 | 169.7 | -170 | 0 | 112.9 | A77 N78 L79 D134 | A77-K112 WeakPolarHBondContact O-CE 3.3Å; N78-K112 HydrophobicContact CB-CD 4.09Å; N78-K112 WeakPolarHBondContact OD1-CD 3.26Å; N78-K112 WeakPolarHBondContact OD1-CE 3.31Å; N78-K112 PolarHBondContact OD1-NZ 2.69Å; L79-K112 PolarHBondContact O-N 2.72Å; K112-D134 VanDerWaalsContact CD-OD2 3.27Å; K112-D134 WeakPolarHBondContact CD-OD2 3.33Å; K112-D134 VanDerWaalsContact NZ-CG 3.29Å; K112-D134 IonicContact NZ-OD1 2.77Å; K112-D134 PolarHBondContact NZ-OD1 2.84Å; K112-D134 IonicContact NZ-OD2 3.06Å; K112-D134 PolarHBondContact NZ-OD2 3.2Å |
| 113 | A | 92.4 | Very high | 93.9 | Very high | 22 Ų | 22 | 47 Ų | 47 | 18% | 0.182 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 156.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | I80 Y81 I115 S130 | I80-A113 HydrophobicContact CG1-CB 4.41Å; I80-A113 HydrophobicContact CG2-CB 4.06Å; Y81-A113 PolarHBondContact N-O 2.86Å; A113-I115 HydrophobicContact CB-CG1 4.48Å; A113-S130 WeakPolarHBondContact CB-OG 3.47Å |
| 114 | D | 94.7 | Very high | 94 | Very high | 67 Ų | 67 | 47.1 Ų | 47.1 | 36% | 0.358 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 111 | 175.8 | -171 | -4 | 0 | 0 | 0 | 108.7 | Y81 R101 | Y81-D114 HydrophobicContact CD1-CB 4.37Å; Y81-D114 VanDerWaalsContact CD1-CG 3.45Å; Y81-D114 WeakPolarHBondContact CD1-OD1 3.35Å; Y81-D114 WeakPolarHBondContact CE1-OD1 3.29Å; Y81-D114 WeakPolarHBondContact O-CA 3.42Å; R101-D114 IonicContact CZ-OD1 2.69Å; R101-D114 IonicContact CZ-OD2 2.71Å; R101-D114 IonicContact NE-OD1 3.61Å; R101-D114 PolarHBondContact NE-OD1 2.9Å; R101-D114 IonicContact NE-OD2 2.79Å; R101-D114 PolarHBondContact NE-OD2 2.76Å; R101-D114 PolarHBondContact NH2-O 3.27Å; R101-D114 IonicContact NH2-OD1 3.66Å; R101-D114 PolarHBondContact NH2-OD1 3.2Å; R101-D114 IonicContact NH2-OD2 3.5Å; R101-D114 PolarHBondContact NH2-OD2 2.89Å |
| 115 | I | 95.8 | Very high | 94 | Very high | 14 Ų | 14 | 53.1 Ų | 53.1 | 7% | 0.072 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 141.6 | -168.2 | -63.3 | 178.6 | 0 | 0 | 0 | 110.7 | I80 Y81 F82 S83 A113 L123 K126 L127 | I80-I115 HydrophobicContact CG2-CD1 3.48Å; I80-I115 VanDerWaalsContact CG2-CD1 3.48Å; I80-I115 HydrophobicContact CG2-CG1 4Å; Y81-I115 PolarHBondContact O-N 2.83Å; F82-I115 CarbonylContact C-O 3.48Å; F82-I115 VanDerWaalsContact CA-O 3.22Å; F82-I115 WeakPolarHBondContact CA-O 3.36Å; F82-I115 HydrophobicContact CB-CB 4.17Å; S83-I115 PolarHBondContact N-O 2.84Å; A113-I115 HydrophobicContact CB-CG1 4.48Å; I115-L123 HydrophobicContact CG2-CD1 4.21Å; I115-K126 HydrophobicContact CD1-CB 4.07Å; I115-K126 HydrophobicContact CG2-CB 3.58Å; I115-K126 HydrophobicContact CG2-CD 3.67Å; I115-K126 HydrophobicContact CG2-CG 4.26Å; I115-L127 HydrophobicContact CD1-CD2 4.05Å |
| 116 | E | 96.2 | Very high | 94 | Very high | 91 Ų | 91 | 55.1 Ų | 55.1 | 43% | 0.425 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 135.8 | 168.7 | -65.1 | 177.3 | -96.5 | 0 | 0 | 109 | R101 K126 | R101-E116 VanDerWaalsContact CZ-CD 3.49Å; R101-E116 IonicContact CZ-OE1 3.67Å; R101-E116 VanDerWaalsContact NH1-CG 3.31Å; R101-E116 IonicContact NH1-OE1 2.61Å; R101-E116 PolarHBondContact NH1-OE1 3.42Å; R101-E116 IonicContact NH1-OE2 2.66Å; R101-E116 PolarHBondContact NH1-OE2 2.89Å; R101-E116 IonicContact NH2-OE1 2.71Å; E116-K126 WeakPolarHBondContact O-CD 3.49Å; E116-K126 PolarHBondContact O-NZ 3.47Å |
| 117 | A | 97 | Very high | 94 | Very high | 4 Ų | 4 | 50.1 Ų | 50.1 | 3% | 0.033 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 149.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | S83 L84 V85 E122 L123 | S83-A117 PolarHBondContact O-N 3.31Å; L84-A117 WeakPolarHBondContact CA-O 3.41Å; L84-A117 HydrophobicContact CD1-CB 4.01Å; V85-A117 PolarHBondContact N-O 3.12Å; A117-E122 WeakPolarHBondContact CA-OE2 3.46Å; A117-E122 HydrophobicContact CB-CB 4.27Å; A117-E122 HydrophobicContact CB-CG 4.28Å; A117-L123 HydrophobicContact CB-CB 3.66Å; A117-L123 HydrophobicContact CB-CD1 4.25Å |
| 118 | H | 95.4 | Very high | 93.9 | Very high | 82 Ų | 82 | 53.2 Ų | 53.2 | 38% | 0.38 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -106 | -7.4 | -179.6 | -51.9 | 84.3 | 0 | 0 | 0 | 112.3 | V85 S86 D87 E122 | V85-H118 WeakPolarHBondContact O-CA 3.45Å; S86-H118 VanDerWaalsContact CA-O 3.22Å; S86-H118 WeakPolarHBondContact CA-O 3.42Å; D87-H118 IonicContact OD1-CD2 3.83Å; D87-H118 IonicContact OD2-CD2 3.98Å; D87-H118 IonicContact OD2-CG 3.95Å; H118-E122 WeakPolarHBondContact CB-OE2 3.14Å; H118-E122 IonicContact CG-OE2 2.95Å; H118-E122 PolarHBondContact N-OE2 2.75Å; H118-E122 IonicContact ND1-OE1 3.78Å; H118-E122 IonicContact ND1-OE2 3.27Å; H118-E122 PolarHBondContact ND1-OE2 2.95Å |
| 119 | D | 94.9 | Very high | 93.7 | Very high | 59 Ų | 59 | 57 Ų | 57 | 32% | 0.316 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -156.8 | 169.1 | 169.3 | 68.9 | 78.7 | 0 | 0 | 0 | 110.5 | L84 N121 E122 L123 | L84-D119 VanDerWaalsContact CD1-C 3.41Å; L84-D119 WeakPolarHBondContact CD1-O 3.42Å; D119-N121 VanDerWaalsContact C-N 3.29Å; D119-N121 PolarHBondContact O-N 2.93Å; D119-N121 VanDerWaalsContact OD1-CA 3.31Å; D119-N121 WeakPolarHBondContact OD1-CA 3.47Å; D119-N121 VanDerWaalsContact OD1-CB 3.26Å; D119-N121 WeakPolarHBondContact OD1-CB 3.5Å; D119-N121 PolarHBondContact OD1-N 3.17Å; D119-E122 PolarHBondContact O-N 2.75Å; D119-E122 PolarHBondContact OD1-N 3.39Å; D119-L123 PolarHBondContact O-N 3.44Å |
| 120 | I | 94.9 | Very high | 93.5 | Very high | 12 Ų | 12 | 54.1 Ų | 54.1 | 6% | 0.062 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.4 | -31.1 | -176.4 | -171.2 | 63.1 | 0 | 0 | 0 | 113.1 | K52 V55 S56 L84 L123 M124 | K52-I120 HydrophobicContact CD-CG1 4.33Å; K52-I120 HydrophobicContact CG-CD1 4.12Å; K52-I120 HydrophobicContact CG-CG1 3.46Å; K52-I120 VanDerWaalsContact CG-CG1 3.46Å; V55-I120 HydrophobicContact CB-CD1 3.93Å; V55-I120 HydrophobicContact CG1-CD1 3.77Å; S56-I120 WeakPolarHBondContact OG-CG1 3.38Å; L84-I120 HydrophobicContact CD2-CD1 4.37Å; I120-L123 HydrophobicContact CD1-CD2 4.16Å; I120-M124 HydrophobicContact CG1-CG 4.49Å; I120-M124 WeakPolarHBondContact O-CG 3.41Å; I120-M124 PolarHBondContact O-N 2.96Å |
| 121 | N | 94.8 | Very high | 92.9 | Very high | 97 Ų | 97 | 51.6 Ų | 51.6 | 52% | 0.519 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -73.7 | -43.1 | 179.6 | -57.5 | -45.7 | 0 | 0 | 0 | 110.3 | K52 D119 L123 M124 E125 | K52-N121 PolarHBondContact NZ-OD1 3.06Å; D119-N121 VanDerWaalsContact C-N 3.29Å; D119-N121 PolarHBondContact O-N 2.93Å; D119-N121 VanDerWaalsContact OD1-CA 3.31Å; D119-N121 WeakPolarHBondContact OD1-CA 3.47Å; D119-N121 VanDerWaalsContact OD1-CB 3.26Å; D119-N121 WeakPolarHBondContact OD1-CB 3.5Å; D119-N121 PolarHBondContact OD1-N 3.17Å; N121-L123 VanDerWaalsContact C-N 3.28Å; N121-L123 PolarHBondContact O-N 3.04Å; N121-M124 PolarHBondContact O-N 2.95Å; N121-E125 PolarHBondContact O-N 3.43Å |
| 122 | E | 96.4 | Very high | 92.1 | Very high | 46 Ų | 46 | 52.5 Ų | 52.5 | 22% | 0.215 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.7 | -41.8 | 172.5 | -172.3 | -174.8 | -171.4 | 0 | 0 | 111.1 | A117 H118 D119 M124 E125 K126 | A117-E122 WeakPolarHBondContact CA-OE2 3.46Å; A117-E122 HydrophobicContact CB-CB 4.27Å; A117-E122 HydrophobicContact CB-CG 4.28Å; H118-E122 WeakPolarHBondContact CB-OE2 3.14Å; H118-E122 IonicContact CG-OE2 2.95Å; H118-E122 PolarHBondContact N-OE2 2.75Å; H118-E122 IonicContact ND1-OE1 3.78Å; H118-E122 IonicContact ND1-OE2 3.27Å; H118-E122 PolarHBondContact ND1-OE2 2.95Å; D119-E122 PolarHBondContact O-N 2.75Å; D119-E122 PolarHBondContact OD1-N 3.39Å; E122-M124 PolarHBondContact O-N 2.63Å; E122-E125 PolarHBondContact O-N 2.99Å; E122-K126 HydrophobicContact CG-CD 4.15Å; E122-K126 WeakPolarHBondContact O-CB 3.38Å; E122-K126 WeakPolarHBondContact O-CG 3.24Å; E122-K126 PolarHBondContact O-N 3.44Å; E122-K126 WeakPolarHBondContact OE1-CE 3.39Å; E122-K126 IonicContact OE1-NZ 2.58Å; E122-K126 PolarHBondContact OE1-NZ 3.5Å |
| 123 | L | 96.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.7 | -48.7 | 176.1 | 178 | 60.1 | 0 | 0 | 0 | 111.6 | F51 V55 F82 L84 I115 A117 D119 I120 N121 K126 L127 | F51-L123 HydrophobicContact CE1-CD2 4.47Å; F51-L123 HydrophobicContact CZ-CD2 4.2Å; V55-L123 HydrophobicContact CG1-CD2 3.92Å; F82-L123 HydrophobicContact CB-CD1 3.54Å; F82-L123 HydrophobicContact CD1-CD1 4.37Å; F82-L123 HydrophobicContact CD2-CD1 3.79Å; F82-L123 HydrophobicContact CD2-CD2 3.64Å; F82-L123 HydrophobicContact CD2-CG 4.4Å; F82-L123 HydrophobicContact CE2-CD2 3.65Å; F82-L123 HydrophobicContact CG-CD1 3.66Å; F82-L123 HydrophobicContact CG-CD2 4.18Å; F82-L123 HydrophobicContact CZ-CD2 4.18Å; L84-L123 HydrophobicContact CB-CD2 4.38Å; L84-L123 HydrophobicContact CD2-CD2 4.25Å; I115-L123 HydrophobicContact CG2-CD1 4.21Å; A117-L123 HydrophobicContact CB-CB 3.66Å; A117-L123 HydrophobicContact CB-CD1 4.25Å; D119-L123 PolarHBondContact O-N 3.44Å; I120-L123 HydrophobicContact CD1-CD2 4.16Å; N121-L123 VanDerWaalsContact C-N 3.28Å; N121-L123 PolarHBondContact O-N 3.04Å; L123-K126 PolarHBondContact O-N 3.42Å; L123-L127 HydrophobicContact CD1-CD1 4.19Å; L123-L127 HydrophobicContact CD1-CG 4.13Å; L123-L127 HydrophobicContact CG-CD1 4.02Å; L123-L127 HydrophobicContact CG-CG 4.39Å; L123-L127 WeakPolarHBondContact O-CB 3.27Å; L123-L127 VanDerWaalsContact O-CG 3.28Å; L123-L127 WeakPolarHBondContact O-CG 3.09Å; L123-L127 PolarHBondContact O-N 2.98Å |
| 124 | M | 94.5 | Very high | 89.5 | Confident | 33 Ų | 33 | 54 Ų | 54 | 16% | 0.163 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.3 | -43.5 | -178.4 | -68.4 | -68.8 | -78.7 | 0 | 0 | 111.5 | M48 F51 I120 N121 E122 K126 L127 E128 | M48-M124 HydrophobicContact CB-CE 4.46Å; F51-M124 HydrophobicContact CD1-SD 3.85Å; F51-M124 HydrophobicContact CE1-SD 3.74Å; I120-M124 HydrophobicContact CG1-CG 4.49Å; I120-M124 WeakPolarHBondContact O-CG 3.41Å; I120-M124 PolarHBondContact O-N 2.96Å; N121-M124 PolarHBondContact O-N 2.95Å; E122-M124 PolarHBondContact O-N 2.63Å; M124-K126 VanDerWaalsContact C-N 3.34Å; M124-K126 PolarHBondContact O-N 2.67Å; M124-L127 PolarHBondContact O-N 3Å; M124-L127 HydrophobicContact SD-CD1 4.46Å; M124-E128 WeakPolarHBondContact O-CG 3.22Å; M124-E128 PolarHBondContact O-N 3.39Å |
| 125 | E | 94.6 | Very high | 87.4 | Confident | 126 Ų | 126 | 57.1 Ų | 57.1 | 59% | 0.589 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -59.9 | -43.9 | 176.1 | -175.3 | -174.4 | 90.7 | 0 | 0 | 111.8 | N121 E122 E128 T129 | N121-E125 PolarHBondContact O-N 3.43Å; E122-E125 PolarHBondContact O-N 2.99Å; E125-E128 PolarHBondContact O-N 3.23Å; E125-T129 WeakPolarHBondContact O-CB 3.3Å; E125-T129 PolarHBondContact O-N 3.15Å; E125-T129 PolarHBondContact O-OG1 2.75Å |
| 126 | K | 94.7 | Very high | 85.2 | Confident | 66 Ų | 66 | 62.5 Ų | 62.5 | 29% | 0.287 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -69 | -36.1 | 178.8 | -71.7 | -177.3 | 179.9 | 178.2 | 0 | 112.4 | I115 E116 E122 L123 M124 T129 S130 | I115-K126 HydrophobicContact CD1-CB 4.07Å; I115-K126 HydrophobicContact CG2-CB 3.58Å; I115-K126 HydrophobicContact CG2-CD 3.67Å; I115-K126 HydrophobicContact CG2-CG 4.26Å; E116-K126 WeakPolarHBondContact O-CD 3.49Å; E116-K126 PolarHBondContact O-NZ 3.47Å; E122-K126 HydrophobicContact CG-CD 4.15Å; E122-K126 WeakPolarHBondContact O-CB 3.38Å; E122-K126 WeakPolarHBondContact O-CG 3.24Å; E122-K126 PolarHBondContact O-N 3.44Å; E122-K126 WeakPolarHBondContact OE1-CE 3.39Å; E122-K126 IonicContact OE1-NZ 2.58Å; E122-K126 PolarHBondContact OE1-NZ 3.5Å; L123-K126 PolarHBondContact O-N 3.42Å; M124-K126 VanDerWaalsContact C-N 3.34Å; M124-K126 PolarHBondContact O-N 2.67Å; K126-T129 PolarHBondContact O-N 2.78Å; K126-S130 VanDerWaalsContact O-CB 3.3Å; K126-S130 WeakPolarHBondContact O-CB 3.25Å; K126-S130 PolarHBondContact O-N 3.18Å |
| 127 | L | 92.1 | Very high | 82.9 | Confident | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.005 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.6 | -47.9 | 174.1 | -75.6 | 174.2 | 0 | 0 | 0 | 111.3 | F51 V67 Y69 I80 I115 L123 M124 T129 S130 A131 | F51-L127 HydrophobicContact CE1-CD1 3.71Å; F51-L127 HydrophobicContact CZ-CD1 3.88Å; V67-L127 HydrophobicContact CG1-CD1 4.29Å; V67-L127 HydrophobicContact CG1-CD2 3.48Å; V67-L127 VanDerWaalsContact CG1-CD2 3.48Å; Y69-L127 HydrophobicContact CD2-CB 4.46Å; Y69-L127 HydrophobicContact CE2-CB 4.26Å; I80-L127 HydrophobicContact CB-CD2 4.05Å; I80-L127 HydrophobicContact CD1-CD2 4.15Å; I80-L127 HydrophobicContact CG2-CD2 3.62Å; I115-L127 HydrophobicContact CD1-CD2 4.05Å; L123-L127 HydrophobicContact CD1-CD1 4.19Å; L123-L127 HydrophobicContact CD1-CG 4.13Å; L123-L127 HydrophobicContact CG-CD1 4.02Å; L123-L127 HydrophobicContact CG-CG 4.39Å; L123-L127 WeakPolarHBondContact O-CB 3.27Å; L123-L127 VanDerWaalsContact O-CG 3.28Å; L123-L127 WeakPolarHBondContact O-CG 3.09Å; L123-L127 PolarHBondContact O-N 2.98Å; M124-L127 PolarHBondContact O-N 3Å; M124-L127 HydrophobicContact SD-CD1 4.46Å; L127-T129 VanDerWaalsContact C-N 3.34Å; L127-T129 PolarHBondContact O-N 3.47Å; L127-S130 PolarHBondContact O-N 3.27Å; L127-A131 VanDerWaalsContact O-CB 3.25Å; L127-A131 WeakPolarHBondContact O-CB 3.46Å; L127-A131 PolarHBondContact O-N 2.66Å |
| 128 | E | 89.4 | Confident | 80 | Confident | 110 Ų | 110 | 72.4 Ų | 72.4 | 51% | 0.514 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 176.9 | -72.4 | 175 | -173.1 | 0 | 0 | 111.7 | M124 E125 A131 A132 | M124-E128 WeakPolarHBondContact O-CG 3.22Å; M124-E128 PolarHBondContact O-N 3.39Å; E125-E128 PolarHBondContact O-N 3.23Å; E128-A131 PolarHBondContact O-N 2.9Å; E128-A132 WeakPolarHBondContact O-CB 3.37Å; E128-A132 PolarHBondContact O-N 3.42Å |
| 129 | T | 89 | Confident | 77.1 | Confident | 88 Ų | 88 | 76.5 Ų | 76.5 | 54% | 0.54 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.8 | -44.1 | 178.4 | -58 | 0 | 0 | 0 | 0 | 111.9 | E125 K126 L127 A131 A132 A133 | E125-T129 WeakPolarHBondContact O-CB 3.3Å; E125-T129 PolarHBondContact O-N 3.15Å; E125-T129 PolarHBondContact O-OG1 2.75Å; K126-T129 PolarHBondContact O-N 2.78Å; L127-T129 VanDerWaalsContact C-N 3.34Å; L127-T129 PolarHBondContact O-N 3.47Å; T129-A131 VanDerWaalsContact C-N 3.3Å; T129-A131 PolarHBondContact O-N 3.48Å; T129-A132 PolarHBondContact O-N 2.9Å; T129-A133 PolarHBondContact O-N 3.09Å |
| 130 | S | 86.6 | Confident | 74.2 | Confident | 30 Ų | 30 | 86.4 Ų | 86.4 | 21% | 0.21 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -64.3 | -36.3 | 177.3 | -176.5 | 0 | 0 | 0 | 0 | 112 | A113 K126 L127 | A113-S130 WeakPolarHBondContact CB-OG 3.47Å; K126-S130 VanDerWaalsContact O-CB 3.3Å; K126-S130 WeakPolarHBondContact O-CB 3.25Å; K126-S130 PolarHBondContact O-N 3.18Å; L127-S130 PolarHBondContact O-N 3.27Å |
| 131 | A | 79 | Confident | 73.2 | Confident | 5 Ų | 5 | 90.1 Ų | 90.1 | 4% | 0.041 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -69.4 | -39.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | Y69 C71 L127 E128 T129 | Y69-A131 HydrophobicContact CD1-CB 3.37Å; Y69-A131 HydrophobicContact CE1-CB 3.39Å; Y69-A131 HydrophobicContact CG-CB 4.18Å; C71-A131 VanDerWaalsContact SG-CB 3.52Å; C71-A131 PolarHBondContact SG-O 3.43Å; L127-A131 VanDerWaalsContact O-CB 3.25Å; L127-A131 WeakPolarHBondContact O-CB 3.46Å; L127-A131 PolarHBondContact O-N 2.66Å; E128-A131 PolarHBondContact O-N 2.9Å; T129-A131 VanDerWaalsContact C-N 3.3Å; T129-A131 PolarHBondContact O-N 3.48Å |
| 132 | A | 75.6 | Confident | 72.1 | Confident | 59 Ų | 59 | 89.7 Ų | 89.7 | 49% | 0.488 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -71.7 | -32.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | E128 T129 D134 K135 | E128-A132 WeakPolarHBondContact O-CB 3.37Å; E128-A132 PolarHBondContact O-N 3.42Å; T129-A132 PolarHBondContact O-N 2.9Å; A132-D134 PolarHBondContact O-N 3.48Å; A132-K135 WeakPolarHBondContact O-CB 3.48Å; A132-K135 PolarHBondContact O-N 3.07Å |
| 133 | A | 68.8 | Low | 70.7 | Confident | 68 Ų | 68 | 92.2 Ų | 92.2 | 56% | 0.562 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.4 | -30.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | T129 K135 N136 | T129-A133 PolarHBondContact O-N 3.09Å; A133-K135 PolarHBondContact O-N 3.12Å; A133-N136 PolarHBondContact O-N 3.03Å |
| 134 | D | 57.8 | Low | 69.2 | Low | 76 Ų | 76 | 97.6 Ų | 97.6 | 41% | 0.406 | 51% | 0.512 | S | S | . | . | G | 310 helix | trans | -61.6 | -27.9 | 175.1 | -107.4 | -55.7 | 0 | 0 | 0 | 112.6 | K112 A132 N136 | K112-D134 VanDerWaalsContact CD-OD2 3.27Å; K112-D134 WeakPolarHBondContact CD-OD2 3.33Å; K112-D134 VanDerWaalsContact NZ-CG 3.29Å; K112-D134 IonicContact NZ-OD1 2.77Å; K112-D134 PolarHBondContact NZ-OD1 2.84Å; K112-D134 IonicContact NZ-OD2 3.06Å; K112-D134 PolarHBondContact NZ-OD2 3.2Å; A132-D134 PolarHBondContact O-N 3.48Å; D134-N136 PolarHBondContact O-N 2.9Å |
| 135 | K | 52.2 | Low | 67.6 | Low | 133 Ų | 133 | 101.6 Ų | 101.6 | 58% | 0.578 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -68.1 | -17 | 179.4 | -66 | -166.5 | 178.7 | -176.4 | 0 | 113.3 | E72 A132 A133 | E72-K135 WeakPolarHBondContact O-CE 3.4Å; E72-K135 PolarHBondContact O-NZ 3.16Å; A132-K135 WeakPolarHBondContact O-CB 3.48Å; A132-K135 PolarHBondContact O-N 3.07Å; A133-K135 PolarHBondContact O-N 3.12Å |
| 136 | N | 48.8 | Very low | 65.8 | Low | 127 Ų | 127 | 100 Ų | 100 | 68% | 0.679 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -91.7 | -5.3 | -172.3 | -150.1 | 30.5 | 0 | 0 | 0 | 114.6 | A133 D134 S138 | A133-N136 PolarHBondContact O-N 3.03Å; D134-N136 PolarHBondContact O-N 2.9Å; N136-S138 VanDerWaalsContact C-N 3.32Å; N136-S138 PolarHBondContact O-N 3.47Å |
| 137 | H | 47.5 | Very low | 63.8 | Low | 188 Ų | 188 | 102.4 Ų | 102.4 | 87% | 0.87 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -89.4 | 11.5 | 179.9 | -126.4 | 74.7 | 0 | 0 | 0 | 115 | ||
| 138 | S | 37.3 | Very low | 61.6 | Low | 114 Ų | 114 | 110.2 Ų | 110.2 | 80% | 0.797 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -112.4 | 22.5 | 179.3 | -155.9 | 0 | 0 | 0 | 0 | 114.2 | N136 | N136-S138 VanDerWaalsContact C-N 3.32Å; N136-S138 PolarHBondContact O-N 3.47Å |
| 139 | K | 34 | Very low | 59.3 | Low | 169 Ų | 169 | 110.3 Ų | 110.3 | 74% | 0.735 | 60% | 0.595 | S | S | * | * | trans | -120.4 | 108.9 | 174.8 | -70.5 | -168.1 | 178.9 | -176.8 | 0 | 112 | ||||
| 140 | H | 34.8 | Very low | 56.6 | Low | 266 Ų | 266 | 112.3 Ų | 112.3 | 100% | 1.231 | 60% | 0.6 | S | S | * | * | trans | 90 | 0 | 163.2 | -63.3 | -40.3 | 0 | 0 | 0 | 118.5 |
Retrieved 140 of 140 residues in 30.6 ms
(Link to these results)