| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 58.2 | Low | 81 | Confident | 176 Ų | 176 | 74.5 Ų | 74.5 | 87% | 0.867 | 43% | 0.425 | S | S | * | . | 0 | -55.1 | 0 | -81 | 170.2 | 172.3 | 0 | 0 | 112.9 | S3 E4 I5 | M1-S3 PolarHBondContact O-N 3.2Å; M1-E4 PolarHBondContact O-N 2.77Å; M1-I5 PolarHBondContact O-N 2.89Å | |||
| 2 | A | 59.8 | Low | 81.9 | Confident | 78 Ų | 78 | 68.5 Ų | 68.5 | 65% | 0.645 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -53.6 | -37.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | E4 I5 C6 | A2-E4 PolarHBondContact O-N 3.4Å; A2-I5 PolarHBondContact O-N 2.87Å; A2-C6 PolarHBondContact O-N 2.78Å; A2-C6 PolarHBondContact O-SG 2.72Å; A2-C6 VanDerWaalsContact O-SG 3.33Å |
| 3 | S | 71.3 | Confident | 82.5 | Confident | 76 Ų | 76 | 70.9 Ų | 70.9 | 53% | 0.531 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -68.7 | -27.5 | 178.5 | 72.2 | 0 | 0 | 0 | 0 | 114.7 | M1 K7 | M1-S3 PolarHBondContact O-N 3.2Å; S3-K7 VanDerWaalsContact O-CG 3.28Å; S3-K7 WeakPolarHBondContact O-CG 3.41Å; S3-K7 PolarHBondContact O-N 2.89Å; S3-K7 VanDerWaalsContact O-N 3.14Å |
| 4 | E | 82.8 | Confident | 83 | Confident | 105 Ų | 105 | 75.9 Ų | 75.9 | 49% | 0.491 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -75.3 | -36 | 178 | -76 | -175.3 | 104 | 0 | 0 | 112.1 | M1 A2 K7 T8 | M1-E4 PolarHBondContact O-N 2.77Å; A2-E4 PolarHBondContact O-N 3.4Å; E4-K7 PolarHBondContact O-N 3.41Å; E4-T8 PolarHBondContact O-N 3.28Å; E4-T8 PolarHBondContact O-OG1 3.46Å |
| 5 | I | 85.4 | Confident | 83.7 | Confident | 26 Ų | 26 | 79.3 Ų | 79.3 | 13% | 0.133 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -67.7 | -46 | 175.9 | -67.6 | 148 | 0 | 0 | 0 | 109.7 | M1 A2 K7 T8 I9 L27 P31 | M1-I5 PolarHBondContact O-N 2.89Å; A2-I5 PolarHBondContact O-N 2.87Å; I5-K7 VanDerWaalsContact C-N 3.27Å; I5-K7 PolarHBondContact O-N 2.97Å; I5-T8 PolarHBondContact O-N 3.03Å; I5-T8 VanDerWaalsContact O-N 3.11Å; I5-I9 HydrophobicContact CG2-CD1 3.63Å; I5-I9 HydrophobicContact CG2-CG1 4.3Å; I5-I9 VanDerWaalsContact O-CG1 3.26Å; I5-I9 WeakPolarHBondContact O-CG1 3.34Å; I5-I9 PolarHBondContact O-N 3.14Å; I5-L27 HydrophobicContact CD1-CD2 3.17Å; I5-L27 HydrophobicContact CG1-CD2 4.03Å; I5-P31 HydrophobicContact CG2-CB 3.8Å; I5-P31 HydrophobicContact CG2-CG 4.25Å |
| 6 | C | 85.5 | Confident | 84.2 | Confident | 46 Ų | 46 | 82.4 Ų | 82.4 | 31% | 0.311 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -57.5 | -41.2 | 175.2 | -66.5 | 0 | 0 | 0 | 0 | 111.9 | A2 I9 S10 | A2-C6 PolarHBondContact O-N 2.78Å; A2-C6 PolarHBondContact O-SG 2.72Å; A2-C6 VanDerWaalsContact O-SG 3.33Å; C6-I9 PolarHBondContact O-N 2.9Å; C6-S10 WeakPolarHBondContact O-CB 3.36Å; C6-S10 PolarHBondContact O-N 3.2Å; C6-S10 PolarHBondContact O-OG 3.36Å |
| 7 | K | 88.8 | Confident | 84.7 | Confident | 143 Ų | 143 | 81.5 Ų | 81.5 | 62% | 0.622 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -62.2 | -47 | 174.4 | -76 | 175 | -178 | -174.4 | 0 | 111.9 | S3 E4 I5 I9 S10 V11 | S3-K7 VanDerWaalsContact O-CG 3.28Å; S3-K7 WeakPolarHBondContact O-CG 3.41Å; S3-K7 PolarHBondContact O-N 2.89Å; S3-K7 VanDerWaalsContact O-N 3.14Å; E4-K7 PolarHBondContact O-N 3.41Å; I5-K7 VanDerWaalsContact C-N 3.27Å; I5-K7 PolarHBondContact O-N 2.97Å; K7-I9 VanDerWaalsContact C-N 3.32Å; K7-I9 PolarHBondContact O-N 3.41Å; K7-S10 WeakPolarHBondContact O-CB 3.31Å; K7-S10 PolarHBondContact O-N 3Å; K7-V11 WeakPolarHBondContact O-CG2 3.34Å; K7-V11 PolarHBondContact O-N 2.92Å |
| 8 | T | 89.8 | Confident | 85.3 | Confident | 45 Ų | 45 | 83.3 Ų | 83.3 | 28% | 0.276 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -59.6 | -44.4 | 178.7 | -54.3 | 0 | 0 | 0 | 0 | 111.2 | E4 I5 S10 V11 A12 L20 L22 | E4-T8 PolarHBondContact O-N 3.28Å; E4-T8 PolarHBondContact O-OG1 3.46Å; I5-T8 PolarHBondContact O-N 3.03Å; I5-T8 VanDerWaalsContact O-N 3.11Å; T8-S10 VanDerWaalsContact C-N 3.34Å; T8-V11 PolarHBondContact O-N 3.14Å; T8-A12 WeakPolarHBondContact O-CB 3.39Å; T8-A12 PolarHBondContact O-N 2.96Å; T8-L20 HydrophobicContact CG2-CD1 4.02Å; T8-L22 HydrophobicContact CG2-CD2 4.13Å |
| 9 | I | 89.2 | Confident | 85.8 | Confident | 8 Ų | 8 | 82.1 Ų | 82.1 | 4% | 0.041 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 177.2 | -65.1 | 169.2 | 0 | 0 | 0 | 110.7 | I5 C6 K7 A12 R13 P31 E33 L34 L40 | I5-I9 HydrophobicContact CG2-CD1 3.63Å; I5-I9 HydrophobicContact CG2-CG1 4.3Å; I5-I9 VanDerWaalsContact O-CG1 3.26Å; I5-I9 WeakPolarHBondContact O-CG1 3.34Å; I5-I9 PolarHBondContact O-N 3.14Å; C6-I9 PolarHBondContact O-N 2.9Å; K7-I9 VanDerWaalsContact C-N 3.32Å; K7-I9 PolarHBondContact O-N 3.41Å; I9-A12 PolarHBondContact O-N 3.22Å; I9-R13 WeakPolarHBondContact O-CB 3.33Å; I9-R13 PolarHBondContact O-N 2.76Å; I9-P31 HydrophobicContact CD1-CB 3.95Å; I9-P31 HydrophobicContact CD1-CG 4.39Å; I9-E33 HydrophobicContact CD1-CB 3.96Å; I9-L34 HydrophobicContact CD1-CD2 3.75Å; I9-L34 HydrophobicContact CD1-CG 3.85Å; I9-L34 HydrophobicContact CG1-CD2 3.66Å; I9-L34 HydrophobicContact CG1-CG 4.33Å; I9-L34 HydrophobicContact CG2-CD2 4.12Å; I9-L40 HydrophobicContact CG2-CD1 4.49Å |
| 10 | S | 89.6 | Confident | 86.2 | Confident | 50 Ų | 50 | 78.4 Ų | 78.4 | 35% | 0.35 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63 | -44.3 | 178.4 | -60 | 0 | 0 | 0 | 0 | 111.8 | C6 K7 T8 R13 L14 | C6-S10 WeakPolarHBondContact O-CB 3.36Å; C6-S10 PolarHBondContact O-N 3.2Å; C6-S10 PolarHBondContact O-OG 3.36Å; K7-S10 WeakPolarHBondContact O-CB 3.31Å; K7-S10 PolarHBondContact O-N 3Å; T8-S10 VanDerWaalsContact C-N 3.34Å; S10-R13 PolarHBondContact O-N 2.85Å; S10-L14 WeakPolarHBondContact O-CG 3.46Å; S10-L14 PolarHBondContact O-N 2.97Å |
| 11 | V | 90.7 | Very high | 86.5 | Confident | 67 Ų | 67 | 80.4 Ų | 80.4 | 41% | 0.406 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.4 | -48.6 | 175.7 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | K7 T8 R13 L14 E15 | K7-V11 WeakPolarHBondContact O-CG2 3.34Å; K7-V11 PolarHBondContact O-N 2.92Å; T8-V11 PolarHBondContact O-N 3.14Å; V11-R13 PolarHBondContact O-N 3.37Å; V11-L14 PolarHBondContact O-N 3.37Å; V11-E15 HydrophobicContact CG1-CG 4.34Å; V11-E15 WeakPolarHBondContact O-CB 3.36Å; V11-E15 PolarHBondContact O-N 3.27Å |
| 12 | A | 91.5 | Very high | 88.1 | Confident | 2 Ų | 2 | 72 Ų | 72 | 2% | 0.017 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -58.5 | -35 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T8 I9 K16 H17 L20 L40 | T8-A12 WeakPolarHBondContact O-CB 3.39Å; T8-A12 PolarHBondContact O-N 2.96Å; I9-A12 PolarHBondContact O-N 3.22Å; A12-K16 PolarHBondContact O-N 2.77Å; A12-K16 VanDerWaalsContact O-N 3.14Å; A12-H17 HydrophobicContact CB-CB 4.19Å; A12-H17 PolarHBondContact O-N 3.38Å; A12-L20 HydrophobicContact CB-CD1 3.96Å; A12-L40 HydrophobicContact CB-CD2 4.02Å |
| 13 | R | 89.6 | Confident | 89.7 | Confident | 100 Ų | 100 | 69.8 Ų | 69.8 | 38% | 0.377 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -68.4 | -52.7 | 175.4 | -171.9 | 170.2 | 64.4 | 176.5 | 2.1 | 111.6 | I9 S10 V11 E15 K16 D37 G39 L40 | I9-R13 WeakPolarHBondContact O-CB 3.33Å; I9-R13 PolarHBondContact O-N 2.76Å; S10-R13 PolarHBondContact O-N 2.85Å; V11-R13 PolarHBondContact O-N 3.37Å; R13-E15 VanDerWaalsContact C-N 3.3Å; R13-E15 PolarHBondContact O-N 3.25Å; R13-K16 PolarHBondContact O-N 2.83Å; R13-K16 VanDerWaalsContact O-N 3.14Å; R13-D37 IonicContact NH1-OD2 3.14Å; R13-D37 PolarHBondContact NH1-OD2 2.85Å; R13-G39 WeakPolarHBondContact CD-O 3.38Å; R13-L40 VanDerWaalsContact CA-CD2 3.43Å; R13-L40 HydrophobicContact CB-CD2 3.59Å; R13-L40 HydrophobicContact CG-CD2 4.32Å; R13-L40 VanDerWaalsContact N-CD2 3.33Å |
| 14 | L | 90.3 | Very high | 90.7 | Very high | 141 Ų | 141 | 71.9 Ų | 71.9 | 74% | 0.738 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60.6 | -41.4 | -178.6 | -72.9 | 170.9 | 0 | 0 | 0 | 111.9 | S10 V11 K16 | S10-L14 WeakPolarHBondContact O-CG 3.46Å; S10-L14 PolarHBondContact O-N 2.97Å; V11-L14 PolarHBondContact O-N 3.37Å; L14-K16 VanDerWaalsContact C-N 3.28Å; L14-K16 PolarHBondContact O-N 3.33Å |
| 15 | E | 92.8 | Very high | 91.1 | Very high | 126 Ų | 126 | 72.6 Ų | 72.6 | 59% | 0.589 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | 3.6 | -179.8 | -64.1 | -172.5 | -178.3 | 0 | 0 | 113.5 | V11 R13 H17 | V11-E15 HydrophobicContact CG1-CG 4.34Å; V11-E15 WeakPolarHBondContact O-CB 3.36Å; V11-E15 PolarHBondContact O-N 3.27Å; R13-E15 VanDerWaalsContact C-N 3.3Å; R13-E15 PolarHBondContact O-N 3.25Å; E15-H17 VanDerWaalsContact C-N 3.29Å; E15-H17 VanDerWaalsContact CB-CD2 3.46Å; E15-H17 WeakPolarHBondContact CB-CD2 3.43Å; E15-H17 VanDerWaalsContact CB-NE2 3.33Å; E15-H17 WeakPolarHBondContact CB-NE2 3.35Å; E15-H17 PolarHBondContact O-N 3.23Å; E15-H17 IonicContact OE2-CD2 2.98Å; E15-H17 IonicContact OE2-CE1 3.82Å; E15-H17 PolarHBondContact OE2-CE1 3.42Å; E15-H17 IonicContact OE2-NE2 2.77Å; E15-H17 PolarHBondContact OE2-NE2 2.82Å |
| 16 | K | 91.8 | Very high | 91.2 | Very high | 130 Ų | 130 | 76.3 Ų | 76.3 | 57% | 0.565 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 43.1 | 175.8 | -55.7 | -175.3 | 170.6 | -169.6 | 0 | 112.9 | A12 R13 L14 K18 H42 | A12-K16 PolarHBondContact O-N 2.77Å; A12-K16 VanDerWaalsContact O-N 3.14Å; R13-K16 PolarHBondContact O-N 2.83Å; R13-K16 VanDerWaalsContact O-N 3.14Å; L14-K16 VanDerWaalsContact C-N 3.28Å; L14-K16 PolarHBondContact O-N 3.33Å; K16-K18 PolarHBondContact O-N 3.46Å; K16-H42 HydrophobicContact CB-CB 4.07Å; K16-H42 VanDerWaalsContact CB-CD2 3.48Å; K16-H42 WeakPolarHBondContact CB-CD2 3.43Å; K16-H42 WeakPolarHBondContact CD-NE2 3.49Å; K16-H42 VanDerWaalsContact CG-CD2 3.42Å; K16-H42 WeakPolarHBondContact CG-CD2 3.49Å |
| 17 | H | 93.6 | Very high | 91.4 | Very high | 66 Ų | 66 | 74.8 Ų | 74.8 | 31% | 0.306 | 35% | 0.352 | S | S | . | . | trans | -64.5 | 130.9 | -177.8 | -74.7 | -175.9 | 0 | 0 | 0 | 111.6 | A12 E15 L43 | A12-H17 HydrophobicContact CB-CB 4.19Å; A12-H17 PolarHBondContact O-N 3.38Å; E15-H17 VanDerWaalsContact C-N 3.29Å; E15-H17 VanDerWaalsContact CB-CD2 3.46Å; E15-H17 WeakPolarHBondContact CB-CD2 3.43Å; E15-H17 VanDerWaalsContact CB-NE2 3.33Å; E15-H17 WeakPolarHBondContact CB-NE2 3.35Å; E15-H17 PolarHBondContact O-N 3.23Å; E15-H17 IonicContact OE2-CD2 2.98Å; E15-H17 IonicContact OE2-CE1 3.82Å; E15-H17 PolarHBondContact OE2-CE1 3.42Å; E15-H17 IonicContact OE2-NE2 2.77Å; E15-H17 PolarHBondContact OE2-NE2 2.82Å; H17-L43 WeakPolarHBondContact O-CA 3.33Å | ||
| 18 | K | 94.6 | Very high | 91.4 | Very high | 114 Ų | 114 | 73 Ų | 73 | 50% | 0.496 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -77.7 | -23.4 | 172.6 | -66.9 | 179.7 | 167.6 | -132.8 | 0 | 113.7 | K16 H42 E44 R45 | K16-K18 PolarHBondContact O-N 3.46Å; K18-H42 WeakPolarHBondContact CA-O 3.31Å; K18-E44 HydrophobicContact CB-CG 4.32Å; K18-E44 WeakPolarHBondContact CD-OE1 3.46Å; K18-E44 WeakPolarHBondContact CE-OE1 3.39Å; K18-E44 HydrophobicContact CG-CG 4.45Å; K18-E44 IonicContact NZ-OE1 3.41Å; K18-E44 PolarHBondContact NZ-OE1 3.41Å; K18-E44 WeakPolarHBondContact O-CA 3.4Å; K18-E44 PolarHBondContact O-N 3.46Å; K18-R45 PolarHBondContact O-N 2.73Å |
| 19 | N | 94.4 | Very high | 91.3 | Very high | 61 Ų | 61 | 76.7 Ų | 76.7 | 33% | 0.326 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 130.2 | -176.8 | -52.7 | -66.9 | 0 | 0 | 0 | 109.7 | F21 R45 | N19-F21 HydrophobicContact CB-CE2 3.96Å; N19-F21 HydrophobicContact CB-CZ 4.23Å; N19-R45 CarbonylContact C-O 3.59Å; N19-R45 WeakPolarHBondContact CA-O 3.47Å; N19-R45 WeakPolarHBondContact OD1-CB 3.49Å; N19-R45 VanDerWaalsContact OD1-CD 3.31Å; N19-R45 WeakPolarHBondContact OD1-CD 3.38Å; N19-R45 WeakPolarHBondContact OD1-CG 3.49Å; N19-R45 PolarHBondContact OD1-NH1 2.88Å |
| 20 | L | 93.9 | Very high | 91.2 | Very high | 8 Ų | 8 | 77.3 Ų | 77.3 | 4% | 0.042 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 130 | 179.3 | -180 | 60.7 | 0 | 0 | 0 | 110.2 | T8 A12 L22 L34 L40 L43 R45 L46 Y47 | T8-L20 HydrophobicContact CG2-CD1 4.02Å; A12-L20 HydrophobicContact CB-CD1 3.96Å; L20-L22 HydrophobicContact CD1-CD2 4.36Å; L20-L22 HydrophobicContact CD2-CD1 4.34Å; L20-L22 HydrophobicContact CD2-CG 4.38Å; L20-L22 HydrophobicContact CG-CD2 4.42Å; L20-L22 HydrophobicContact CG-CG 4.18Å; L20-L34 HydrophobicContact CD2-CD2 3.55Å; L20-L40 HydrophobicContact CD2-CD1 3.63Å; L20-L43 HydrophobicContact CB-CD1 3.42Å; L20-L43 VanDerWaalsContact CB-CD1 3.42Å; L20-L43 HydrophobicContact CB-CD2 4.26Å; L20-L43 HydrophobicContact CB-CG 4.5Å; L20-R45 PolarHBondContact N-O 3.18Å; L20-L46 HydrophobicContact CB-CD1 4.17Å; L20-L46 HydrophobicContact CD2-CD1 4.06Å; L20-L46 HydrophobicContact CG-CD1 4.14Å; L20-Y47 PolarHBondContact O-N 3.42Å |
| 21 | F | 93.6 | Very high | 91.1 | Very high | 120 Ų | 120 | 75.4 Ų | 75.4 | 53% | 0.526 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 107.7 | -177.1 | -57.9 | -89.4 | 0 | 0 | 0 | 110.5 | N19 Y47 | N19-F21 HydrophobicContact CB-CE2 3.96Å; N19-F21 HydrophobicContact CB-CZ 4.23Å; F21-Y47 AromaticContact CD1-CD2 3.46Å; F21-Y47 HydrophobicContact CD1-CD2 3.46Å; F21-Y47 VanDerWaalsContact CD1-CD2 3.46Å; F21-Y47 HydrophobicContact CD1-CE2 4.21Å; F21-Y47 AromaticContact CD1-CG 3.78Å; F21-Y47 HydrophobicContact CD1-CG 3.78Å; F21-Y47 AromaticContact CE1-CD2 3.25Å; F21-Y47 HydrophobicContact CE1-CD2 3.25Å; F21-Y47 AromaticContact CE1-CE2 3.51Å; F21-Y47 HydrophobicContact CE1-CE2 3.51Å; F21-Y47 AromaticContact CE1-CG 3.82Å; F21-Y47 HydrophobicContact CE1-CG 3.82Å; F21-Y47 HydrophobicContact CG-CD2 4.29Å; F21-Y47 AromaticContact CZ-CD2 3.93Å; F21-Y47 HydrophobicContact CZ-CD2 3.93Å; F21-Y47 AromaticContact CZ-CE2 3.88Å; F21-Y47 HydrophobicContact CZ-CE2 3.88Å |
| 22 | L | 92.2 | Very high | 90.9 | Very high | 1 Ų | 1 | 76.2 Ų | 76.2 | 1% | 0.005 | 35% | 0.351 | C | S | . | . | trans | -114 | 28.5 | 172.8 | -56.5 | 179.2 | 0 | 0 | 0 | 111.3 | T8 L20 L27 P31 L34 L46 Y47 M48 N51 | T8-L22 HydrophobicContact CG2-CD2 4.13Å; L20-L22 HydrophobicContact CD1-CD2 4.36Å; L20-L22 HydrophobicContact CD2-CD1 4.34Å; L20-L22 HydrophobicContact CD2-CG 4.38Å; L20-L22 HydrophobicContact CG-CD2 4.42Å; L20-L22 HydrophobicContact CG-CG 4.18Å; L22-L27 HydrophobicContact CB-CD1 4.23Å; L22-P31 HydrophobicContact CD1-CG 3.94Å; L22-L34 HydrophobicContact CD1-CD1 4.35Å; L22-L46 HydrophobicContact CD1-CD1 4.29Å; L22-Y47 CarbonylContact C-O 3.51Å; L22-Y47 WeakPolarHBondContact CA-O 3.26Å; L22-Y47 PolarHBondContact N-O 3.31Å; L22-M48 HydrophobicContact CB-CG 4.19Å; L22-N51 PolarHBondContact O-ND2 3.43Å | ||
| 23 | N | 93.3 | Very high | 90.5 | Very high | 31 Ų | 31 | 79.5 Ų | 79.5 | 17% | 0.166 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | 146.2 | 179.4 | -59.6 | -49.7 | 0 | 0 | 0 | 111.2 | R25 Y47 M48 K49 | N23-R25 VanDerWaalsContact C-N 3.31Å; N23-R25 PolarHBondContact O-N 3.11Å; N23-Y47 PolarHBondContact N-O 2.98Å; N23-Y47 WeakPolarHBondContact OD1-CB 3.44Å; N23-Y47 PolarHBondContact OD1-O 3.14Å; N23-M48 PolarHBondContact OD1-N 3.29Å; N23-K49 VanDerWaalsContact CA-O 3.31Å; N23-K49 WeakPolarHBondContact CA-O 3.32Å; N23-K49 HydrophobicContact CB-CG 3.92Å; N23-K49 VanDerWaalsContact OD1-CG 3.31Å; N23-K49 WeakPolarHBondContact OD1-CG 3.42Å; N23-K49 PolarHBondContact OD1-N 3.11Å |
| 24 | Y | 92.2 | Very high | 90.3 | Very high | 119 Ų | 119 | 75.3 Ų | 75.3 | 47% | 0.467 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 33.9 | 171.9 | -52.2 | -89.2 | 0 | 0 | 0 | 115.1 | K49 R50 | Y24-K49 HydrophobicContact CE2-CD 4.29Å; Y24-K49 HydrophobicContact CE2-CG 4.1Å; Y24-K49 PolarHBondContact N-O 3.11Å; Y24-K49 WeakPolarHBondContact OH-CE 3.44Å; Y24-R50 WeakPolarHBondContact CA-O 3.26Å; Y24-R50 HydrophobicContact CD1-CB 3.6Å; Y24-R50 HydrophobicContact CD1-CG 4.34Å; Y24-R50 HydrophobicContact CE1-CB 3.66Å; Y24-R50 HydrophobicContact CE1-CG 3.9Å; Y24-R50 VanDerWaalsContact CE1-CZ 3.5Å; Y24-R50 VanDerWaalsContact CE1-NE 3.31Å; Y24-R50 HydrophobicContact CG-CB 4.28Å |
| 25 | R | 89.6 | Confident | 90 | Very high | 120 Ų | 120 | 72.9 Ų | 72.9 | 45% | 0.453 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -101.5 | 6.5 | -177 | -67.9 | -66.9 | -171.3 | 154.1 | 2.7 | 113.2 | N23 L27 N51 | N23-R25 VanDerWaalsContact C-N 3.31Å; N23-R25 PolarHBondContact O-N 3.11Å; R25-L27 HydrophobicContact CB-CD1 4.46Å; R25-L27 HydrophobicContact CB-CD2 3.93Å; R25-L27 HydrophobicContact CB-CG 3.84Å; R25-L27 PolarHBondContact O-N 2.95Å; R25-N51 WeakPolarHBondContact CA-OD1 3.35Å; R25-N51 PolarHBondContact N-OD1 3.27Å |
| 26 | N | 89.4 | Confident | 89.4 | Confident | 105 Ų | 105 | 72.2 Ų | 72.2 | 56% | 0.561 | 33% | 0.333 | S | S | * | . | trans | 49.4 | 38.7 | -173.3 | -66.8 | -18.2 | 0 | 0 | 0 | 112.2 | H28 N51 | N26-H28 PolarHBondContact O-CD2 3.37Å; N26-H28 VanDerWaalsContact O-CD2 3.32Å; N26-H28 PolarHBondContact O-N 2.93Å; N26-N51 PolarHBondContact N-OD1 3.15Å | ||
| 27 | L | 89.1 | Confident | 88.6 | Confident | 13 Ų | 13 | 72.5 Ų | 72.5 | 7% | 0.068 | 34% | 0.341 | C | S | . | . | trans | -67.1 | 122.6 | 177.6 | -57.1 | 179.8 | 0 | 0 | 0 | 109.3 | I5 L22 R25 N51 S52 L53 | I5-L27 HydrophobicContact CD1-CD2 3.17Å; I5-L27 HydrophobicContact CG1-CD2 4.03Å; L22-L27 HydrophobicContact CB-CD1 4.23Å; R25-L27 HydrophobicContact CB-CD1 4.46Å; R25-L27 HydrophobicContact CB-CD2 3.93Å; R25-L27 HydrophobicContact CB-CG 3.84Å; R25-L27 PolarHBondContact O-N 2.95Å; L27-N51 HydrophobicContact CB-CB 4Å; L27-N51 WeakPolarHBondContact CG-OD1 3.28Å; L27-N51 PolarHBondContact N-OD1 2.89Å; L27-S52 CarbonylContact O-C 3Å; L27-S52 WeakPolarHBondContact O-CA 3.42Å; L27-S52 PolarHBondContact O-N 3.25Å; L27-L53 HydrophobicContact CB-CD2 3.88Å; L27-L53 PolarHBondContact O-N 3Å; L27-L53 VanDerWaalsContact O-N 3.13Å | ||
| 28 | H | 88.8 | Confident | 87.6 | Confident | 106 Ų | 106 | 76.4 Ų | 76.4 | 49% | 0.491 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -87 | -26 | 172.8 | -69.2 | -77.3 | 0 | 0 | 0 | 112.4 | N26 S52 T54 | N26-H28 PolarHBondContact O-CD2 3.37Å; N26-H28 VanDerWaalsContact O-CD2 3.32Å; N26-H28 PolarHBondContact O-N 2.93Å; H28-S52 WeakPolarHBondContact CA-O 3.39Å; H28-T54 PolarHBondContact O-N 3.32Å; H28-T54 VanDerWaalsContact O-N 3.11Å; H28-T54 PolarHBondContact O-OG1 3.33Å |
| 29 | H | 87.4 | Confident | 86.5 | Confident | 122 Ų | 122 | 71.6 Ų | 71.6 | 57% | 0.565 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -127.5 | 147.8 | 179.7 | -54.6 | -66.6 | 0 | 0 | 0 | 110.5 | L53 | H29-L53 WeakPolarHBondContact O-CD2 3.34Š|
| 30 | F | 87.8 | Confident | 86 | Confident | 21 Ų | 21 | 69.7 Ų | 69.7 | 9% | 0.092 | 33% | 0.331 | C | S | . | . | trans | -66.2 | 130.7 | 171.4 | 179.1 | -86.9 | 0 | 0 | 0 | 109 | L32 L34 L35 L46 M48 V57 | F30-L32 HydrophobicContact CD1-CD2 4.26Å; F30-L32 PolarHBondContact O-N 2.91Å; F30-L34 HydrophobicContact CE1-CB 4.38Å; F30-L34 HydrophobicContact CE1-CD1 4.24Å; F30-L34 HydrophobicContact CE2-CD1 4.14Å; F30-L34 HydrophobicContact CZ-CB 4.34Å; F30-L34 HydrophobicContact CZ-CD1 3.71Å; F30-L35 HydrophobicContact CD1-CD1 4.49Å; F30-L35 HydrophobicContact CE1-CD1 3.73Å; F30-L35 HydrophobicContact CE1-CD2 4.44Å; F30-L35 HydrophobicContact CE1-CG 3.87Å; F30-L35 HydrophobicContact CZ-CD1 4.47Å; F30-L35 HydrophobicContact CZ-CG 4.44Å; F30-L46 HydrophobicContact CE2-CD2 4.11Å; F30-L46 HydrophobicContact CZ-CD2 4.42Å; F30-M48 HydrophobicContact CD2-CE 3.68Å; F30-M48 HydrophobicContact CD2-SD 3.95Å; F30-M48 HydrophobicContact CE2-CE 3.53Å; F30-M48 HydrophobicContact CE2-SD 3.93Å; F30-V57 HydrophobicContact CB-CG1 3.77Å; F30-V57 HydrophobicContact CB-CG2 4.02Å; F30-V57 HydrophobicContact CD1-CG1 3.91Å; F30-V57 HydrophobicContact CD1-CG2 4.04Å; F30-V57 HydrophobicContact CD2-CG2 4.28Å; F30-V57 HydrophobicContact CG-CG1 4.09Å; F30-V57 HydrophobicContact CG-CG2 3.84Å | ||
| 31 | P | 87.1 | Confident | 85.6 | Confident | 11 Ų | 11 | 75.3 Ų | 75.3 | 7% | 0.071 | 36% | 0.358 | C | S | . | . | trans | -74.3 | 98.6 | -178.9 | 25.9 | -27 | 0 | 0 | 0 | 110 | I5 I9 L22 E33 L34 | I5-P31 HydrophobicContact CG2-CB 3.8Å; I5-P31 HydrophobicContact CG2-CG 4.25Å; I9-P31 HydrophobicContact CD1-CB 3.95Å; I9-P31 HydrophobicContact CD1-CG 4.39Å; L22-P31 HydrophobicContact CD1-CG 3.94Å; P31-E33 PolarHBondContact O-N 3.18Å; P31-E33 VanDerWaalsContact O-N 3.12Å; P31-L34 HydrophobicContact CB-CG 4.46Å; P31-L34 HydrophobicContact CG-CD1 3.65Å; P31-L34 HydrophobicContact CG-CG 4.01Å; P31-L34 VanDerWaalsContact O-CB 3.32Å; P31-L34 WeakPolarHBondContact O-CB 3.33Å; P31-L34 WeakPolarHBondContact O-CG 3.42Å; P31-L34 PolarHBondContact O-N 2.93Å | ||
| 32 | L | 85.8 | Confident | 85.3 | Confident | 84 Ų | 84 | 73.7 Ų | 73.7 | 44% | 0.44 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -61 | -19.8 | -179.4 | -68.5 | 174.2 | 0 | 0 | 0 | 112.6 | F30 L34 L35 K36 V57 | F30-L32 HydrophobicContact CD1-CD2 4.26Å; F30-L32 PolarHBondContact O-N 2.91Å; L32-L34 PolarHBondContact O-N 3.07Å; L32-L35 HydrophobicContact CD2-CD1 4.3Å; L32-L35 CarbonylContact O-C 3.59Å; L32-L35 WeakPolarHBondContact O-CA 3.48Å; L32-L35 WeakPolarHBondContact O-CB 3.42Å; L32-L35 PolarHBondContact O-N 3.22Å; L32-K36 PolarHBondContact O-N 3.2Å; L32-V57 HydrophobicContact CD2-CG1 3.63Å |
| 33 | E | 84.3 | Confident | 85.3 | Confident | 70 Ų | 70 | 75.6 Ų | 75.6 | 33% | 0.327 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -57.9 | -24.3 | 171.7 | -70.8 | 64.8 | -139.4 | 0 | 0 | 112.8 | I9 P31 L35 K36 | I9-E33 HydrophobicContact CD1-CB 3.96Å; P31-E33 PolarHBondContact O-N 3.18Å; P31-E33 VanDerWaalsContact O-N 3.12Å; E33-L35 PolarHBondContact O-N 3.02Å; E33-K36 IonicContact OE1-NZ 2.72Å; E33-K36 PolarHBondContact OE1-NZ 3.31Å; E33-K36 VanDerWaalsContact OE1-NZ 3.14Å |
| 34 | L | 85.4 | Confident | 85.3 | Confident | 13 Ų | 13 | 79.1 Ų | 79.1 | 7% | 0.068 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -62.5 | -25.8 | 170.2 | -67.3 | 174.7 | 0 | 0 | 0 | 112.8 | I9 L20 L22 F30 P31 L32 L40 L46 | I9-L34 HydrophobicContact CD1-CD2 3.75Å; I9-L34 HydrophobicContact CD1-CG 3.85Å; I9-L34 HydrophobicContact CG1-CD2 3.66Å; I9-L34 HydrophobicContact CG1-CG 4.33Å; I9-L34 HydrophobicContact CG2-CD2 4.12Å; L20-L34 HydrophobicContact CD2-CD2 3.55Å; L22-L34 HydrophobicContact CD1-CD1 4.35Å; F30-L34 HydrophobicContact CE1-CB 4.38Å; F30-L34 HydrophobicContact CE1-CD1 4.24Å; F30-L34 HydrophobicContact CE2-CD1 4.14Å; F30-L34 HydrophobicContact CZ-CB 4.34Å; F30-L34 HydrophobicContact CZ-CD1 3.71Å; P31-L34 HydrophobicContact CB-CG 4.46Å; P31-L34 HydrophobicContact CG-CD1 3.65Å; P31-L34 HydrophobicContact CG-CG 4.01Å; P31-L34 VanDerWaalsContact O-CB 3.32Å; P31-L34 WeakPolarHBondContact O-CB 3.33Å; P31-L34 WeakPolarHBondContact O-CG 3.42Å; P31-L34 PolarHBondContact O-N 2.93Å; L32-L34 PolarHBondContact O-N 3.07Å; L34-L40 HydrophobicContact CD2-CD1 3.4Å; L34-L40 VanDerWaalsContact CD2-CD1 3.4Å; L34-L46 HydrophobicContact CD1-CD1 4.15Å; L34-L46 HydrophobicContact CD1-CD2 3.65Å |
| 35 | L | 82.1 | Confident | 85.4 | Confident | 89 Ų | 89 | 79 Ų | 79 | 47% | 0.466 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -107.2 | -5.8 | -174.4 | -52.6 | 177.2 | 0 | 0 | 0 | 113 | F30 L32 E33 S59 | F30-L35 HydrophobicContact CD1-CD1 4.49Å; F30-L35 HydrophobicContact CE1-CD1 3.73Å; F30-L35 HydrophobicContact CE1-CD2 4.44Å; F30-L35 HydrophobicContact CE1-CG 3.87Å; F30-L35 HydrophobicContact CZ-CD1 4.47Å; F30-L35 HydrophobicContact CZ-CG 4.44Å; L32-L35 HydrophobicContact CD2-CD1 4.3Å; L32-L35 CarbonylContact O-C 3.59Å; L32-L35 WeakPolarHBondContact O-CA 3.48Å; L32-L35 WeakPolarHBondContact O-CB 3.42Å; L32-L35 PolarHBondContact O-N 3.22Å; E33-L35 PolarHBondContact O-N 3.02Å; L35-S59 WeakPolarHBondContact CD1-OG 3.43Å |
| 36 | K | 80.1 | Confident | 85.5 | Confident | 113 Ų | 113 | 76.2 Ų | 76.2 | 49% | 0.491 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -82.8 | 153.8 | 178.7 | -77.1 | 179.8 | 179.2 | 165.3 | 0 | 111.3 | L32 E33 G39 | L32-K36 PolarHBondContact O-N 3.2Å; E33-K36 IonicContact OE1-NZ 2.72Å; E33-K36 PolarHBondContact OE1-NZ 3.31Å; E33-K36 VanDerWaalsContact OE1-NZ 3.14Å; K36-G39 WeakPolarHBondContact O-CA 3.43Å; K36-G39 PolarHBondContact O-N 3.01Å |
| 37 | D | 76.6 | Confident | 85.7 | Confident | 136 Ų | 136 | 75.9 Ų | 75.9 | 73% | 0.727 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | -147.7 | -176.8 | -49.1 | -39.4 | 0 | 0 | 0 | 112.5 | R13 G39 | R13-D37 IonicContact NH1-OD2 3.14Å; R13-D37 PolarHBondContact NH1-OD2 2.85Å; D37-G39 PolarHBondContact O-N 3.2Å |
| 38 | E | 71.8 | Confident | 85.8 | Confident | 148 Ų | 148 | 77.4 Ų | 77.4 | 69% | 0.692 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -7.7 | 167.5 | -75 | -170.4 | -169.5 | 0 | 0 | 113.5 | Q41 | E38-Q41 HydrophobicContact CB-CG 4.25Å; E38-Q41 WeakPolarHBondContact O-CG 3.31Å; E38-Q41 PolarHBondContact OE2-NE2 3.03Å |
| 39 | G | 71.7 | Confident | 86 | Confident | 13 Ų | 13 | 78.1 Ų | 78.1 | 13% | 0.134 | 37% | 0.37 | C | S | . | . | trans | 62.6 | -160.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R13 K36 D37 Q41 | R13-G39 WeakPolarHBondContact CD-O 3.38Å; K36-G39 WeakPolarHBondContact O-CA 3.43Å; K36-G39 PolarHBondContact O-N 3.01Å; D37-G39 PolarHBondContact O-N 3.2Å; G39-Q41 PolarHBondContact O-N 3.12Å | ||
| 40 | L | 83.6 | Confident | 86.2 | Confident | 20 Ų | 20 | 81.1 Ų | 81.1 | 11% | 0.105 | 38% | 0.376 | C | S | . | . | trans | -92.8 | 72 | 170.2 | -65.9 | 168.5 | 0 | 0 | 0 | 110 | I9 A12 R13 L20 L34 H42 L43 | I9-L40 HydrophobicContact CG2-CD1 4.49Å; A12-L40 HydrophobicContact CB-CD2 4.02Å; R13-L40 VanDerWaalsContact CA-CD2 3.43Å; R13-L40 HydrophobicContact CB-CD2 3.59Å; R13-L40 HydrophobicContact CG-CD2 4.32Å; R13-L40 VanDerWaalsContact N-CD2 3.33Å; L20-L40 HydrophobicContact CD2-CD1 3.63Å; L34-L40 HydrophobicContact CD2-CD1 3.4Å; L34-L40 VanDerWaalsContact CD2-CD1 3.4Å; L40-H42 PolarHBondContact O-N 2.99Å; L40-L43 HydrophobicContact CB-CB 3.54Å; L40-L43 HydrophobicContact CB-CD2 4.21Å; L40-L43 HydrophobicContact CB-CG 4.42Å; L40-L43 HydrophobicContact CD1-CB 4.4Å; L40-L43 HydrophobicContact CD1-CD2 3.74Å; L40-L43 HydrophobicContact CD1-CG 4.46Å; L40-L43 VanDerWaalsContact O-CB 3.26Å; L40-L43 WeakPolarHBondContact O-CB 2.99Å; L40-L43 PolarHBondContact O-N 3.21Å | ||
| 41 | Q | 85.4 | Confident | 86.4 | Confident | 127 Ų | 127 | 81.5 Ų | 81.5 | 59% | 0.593 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -29.3 | -176.4 | -61.5 | -172 | -8.5 | 0 | 0 | 114.5 | E38 G39 | E38-Q41 HydrophobicContact CB-CG 4.25Å; E38-Q41 WeakPolarHBondContact O-CG 3.31Å; E38-Q41 PolarHBondContact OE2-NE2 3.03Å; G39-Q41 PolarHBondContact O-N 3.12Å |
| 42 | H | 88.4 | Confident | 86.6 | Confident | 85 Ų | 85 | 83.5 Ų | 83.5 | 39% | 0.394 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -6.8 | -179.2 | -62.5 | -66.3 | 0 | 0 | 0 | 113.5 | K16 K18 L40 E44 | K16-H42 HydrophobicContact CB-CB 4.07Å; K16-H42 VanDerWaalsContact CB-CD2 3.48Å; K16-H42 WeakPolarHBondContact CB-CD2 3.43Å; K16-H42 WeakPolarHBondContact CD-NE2 3.49Å; K16-H42 VanDerWaalsContact CG-CD2 3.42Å; K16-H42 WeakPolarHBondContact CG-CD2 3.49Å; K18-H42 WeakPolarHBondContact CA-O 3.31Å; L40-H42 PolarHBondContact O-N 2.99Å; H42-E44 PolarHBondContact O-N 3.47Å |
| 43 | L | 91.7 | Very high | 86.8 | Confident | 41 Ų | 41 | 82.8 Ų | 82.8 | 22% | 0.215 | 39% | 0.39 | C | S | . | . | trans | -76.6 | 118.2 | -176.7 | -172 | 79.1 | 0 | 0 | 0 | 110.7 | H17 L20 L40 R45 L46 | H17-L43 WeakPolarHBondContact O-CA 3.33Å; L20-L43 HydrophobicContact CB-CD1 3.42Å; L20-L43 VanDerWaalsContact CB-CD1 3.42Å; L20-L43 HydrophobicContact CB-CD2 4.26Å; L20-L43 HydrophobicContact CB-CG 4.5Å; L40-L43 HydrophobicContact CB-CB 3.54Å; L40-L43 HydrophobicContact CB-CD2 4.21Å; L40-L43 HydrophobicContact CB-CG 4.42Å; L40-L43 HydrophobicContact CD1-CB 4.4Å; L40-L43 HydrophobicContact CD1-CD2 3.74Å; L40-L43 HydrophobicContact CD1-CG 4.46Å; L40-L43 VanDerWaalsContact O-CB 3.26Å; L40-L43 WeakPolarHBondContact O-CB 2.99Å; L40-L43 PolarHBondContact O-N 3.21Å; L43-R45 WeakPolarHBondContact CD1-O 3.34Å; L43-L46 HydrophobicContact CD2-CB 4.07Å | ||
| 44 | E | 92.8 | Very high | 86.9 | Confident | 106 Ų | 106 | 84.7 Ų | 84.7 | 50% | 0.495 | 41% | 0.406 | S | S | . | . | trans | -95.6 | -32.2 | 175.2 | -62.1 | 173.1 | -169.7 | 0 | 0 | 111.4 | K18 H42 | K18-E44 HydrophobicContact CB-CG 4.32Å; K18-E44 WeakPolarHBondContact CD-OE1 3.46Å; K18-E44 WeakPolarHBondContact CE-OE1 3.39Å; K18-E44 HydrophobicContact CG-CG 4.45Å; K18-E44 IonicContact NZ-OE1 3.41Å; K18-E44 PolarHBondContact NZ-OE1 3.41Å; K18-E44 WeakPolarHBondContact O-CA 3.4Å; K18-E44 PolarHBondContact O-N 3.46Å; H42-E44 PolarHBondContact O-N 3.47Å | ||
| 45 | R | 94.1 | Very high | 86.8 | Confident | 116 Ų | 116 | 87.7 Ų | 87.7 | 44% | 0.438 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 125.8 | -174.3 | -54 | -177.1 | -174 | 67.4 | 5.6 | 112.5 | K18 N19 L20 L43 Y47 | K18-R45 PolarHBondContact O-N 2.73Å; N19-R45 CarbonylContact C-O 3.59Å; N19-R45 WeakPolarHBondContact CA-O 3.47Å; N19-R45 WeakPolarHBondContact OD1-CB 3.49Å; N19-R45 VanDerWaalsContact OD1-CD 3.31Å; N19-R45 WeakPolarHBondContact OD1-CD 3.38Å; N19-R45 WeakPolarHBondContact OD1-CG 3.49Å; N19-R45 PolarHBondContact OD1-NH1 2.88Å; L20-R45 PolarHBondContact N-O 3.18Å; L43-R45 WeakPolarHBondContact CD1-O 3.34Å; R45-Y47 HydrophobicContact CB-CD2 4.41Å; R45-Y47 HydrophobicContact CB-CE2 3.68Å; R45-Y47 WeakPolarHBondContact CD-OH 3.35Å |
| 46 | L | 92.4 | Very high | 86.3 | Confident | 61 Ų | 61 | 89.7 Ų | 89.7 | 32% | 0.319 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 121.8 | 173.7 | 177.8 | 60.8 | 0 | 0 | 0 | 110.1 | L20 L22 F30 L34 L43 M48 | L20-L46 HydrophobicContact CB-CD1 4.17Å; L20-L46 HydrophobicContact CD2-CD1 4.06Å; L20-L46 HydrophobicContact CG-CD1 4.14Å; L22-L46 HydrophobicContact CD1-CD1 4.29Å; F30-L46 HydrophobicContact CE2-CD2 4.11Å; F30-L46 HydrophobicContact CZ-CD2 4.42Å; L34-L46 HydrophobicContact CD1-CD1 4.15Å; L34-L46 HydrophobicContact CD1-CD2 3.65Å; L43-L46 HydrophobicContact CD2-CB 4.07Å; L46-M48 HydrophobicContact CD1-CG 4.03Å; L46-M48 HydrophobicContact CD1-SD 4.42Å; L46-M48 HydrophobicContact CD2-CE 3.75Å; L46-M48 HydrophobicContact CD2-CG 4.3Å; L46-M48 HydrophobicContact CD2-SD 3.88Å; L46-M48 HydrophobicContact CG-CE 4.22Å; L46-M48 HydrophobicContact CG-CG 3.91Å; L46-M48 HydrophobicContact CG-SD 4.17Å |
| 47 | Y | 93.3 | Very high | 86 | Confident | 98 Ų | 98 | 85 Ų | 85 | 38% | 0.384 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 119 | 177.6 | -61 | -88.6 | 0 | 0 | 0 | 110.7 | L20 F21 L22 N23 R45 | L20-Y47 PolarHBondContact O-N 3.42Å; F21-Y47 AromaticContact CD1-CD2 3.46Å; F21-Y47 HydrophobicContact CD1-CD2 3.46Å; F21-Y47 VanDerWaalsContact CD1-CD2 3.46Å; F21-Y47 HydrophobicContact CD1-CE2 4.21Å; F21-Y47 AromaticContact CD1-CG 3.78Å; F21-Y47 HydrophobicContact CD1-CG 3.78Å; F21-Y47 AromaticContact CE1-CD2 3.25Å; F21-Y47 HydrophobicContact CE1-CD2 3.25Å; F21-Y47 AromaticContact CE1-CE2 3.51Å; F21-Y47 HydrophobicContact CE1-CE2 3.51Å; F21-Y47 AromaticContact CE1-CG 3.82Å; F21-Y47 HydrophobicContact CE1-CG 3.82Å; F21-Y47 HydrophobicContact CG-CD2 4.29Å; F21-Y47 AromaticContact CZ-CD2 3.93Å; F21-Y47 HydrophobicContact CZ-CD2 3.93Å; F21-Y47 AromaticContact CZ-CE2 3.88Å; F21-Y47 HydrophobicContact CZ-CE2 3.88Å; L22-Y47 CarbonylContact C-O 3.51Å; L22-Y47 WeakPolarHBondContact CA-O 3.26Å; L22-Y47 PolarHBondContact N-O 3.31Å; N23-Y47 PolarHBondContact N-O 2.98Å; N23-Y47 WeakPolarHBondContact OD1-CB 3.44Å; N23-Y47 PolarHBondContact OD1-O 3.14Å; R45-Y47 HydrophobicContact CB-CD2 4.41Å; R45-Y47 HydrophobicContact CB-CE2 3.68Å; R45-Y47 WeakPolarHBondContact CD-OH 3.35Å |
| 48 | M | 92.1 | Very high | 85.6 | Confident | 46 Ų | 46 | 83.7 Ų | 83.7 | 23% | 0.227 | 42% | 0.416 | C | S | . | . | trans | -130.7 | 30.7 | -178.9 | -61.7 | -172.7 | -66.5 | 0 | 0 | 112.9 | L22 N23 F30 L46 N51 L53 | L22-M48 HydrophobicContact CB-CG 4.19Å; N23-M48 PolarHBondContact OD1-N 3.29Å; F30-M48 HydrophobicContact CD2-CE 3.68Å; F30-M48 HydrophobicContact CD2-SD 3.95Å; F30-M48 HydrophobicContact CE2-CE 3.53Å; F30-M48 HydrophobicContact CE2-SD 3.93Å; L46-M48 HydrophobicContact CD1-CG 4.03Å; L46-M48 HydrophobicContact CD1-SD 4.42Å; L46-M48 HydrophobicContact CD2-CE 3.75Å; L46-M48 HydrophobicContact CD2-CG 4.3Å; L46-M48 HydrophobicContact CD2-SD 3.88Å; L46-M48 HydrophobicContact CG-CE 4.22Å; L46-M48 HydrophobicContact CG-CG 3.91Å; L46-M48 HydrophobicContact CG-SD 4.17Å; M48-N51 VanDerWaalsContact C-ND2 3.32Å; M48-N51 PolarHBondContact O-ND2 3.13Å; M48-L53 HydrophobicContact CE-CD1 4.5Å | ||
| 49 | K | 92.4 | Very high | 85.3 | Confident | 121 Ų | 121 | 80.3 Ų | 80.3 | 53% | 0.526 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | 148.6 | -178.3 | 87 | -165.3 | 174.5 | 177.1 | 0 | 111.4 | N23 Y24 N51 | N23-K49 VanDerWaalsContact CA-O 3.31Å; N23-K49 WeakPolarHBondContact CA-O 3.32Å; N23-K49 HydrophobicContact CB-CG 3.92Å; N23-K49 VanDerWaalsContact OD1-CG 3.31Å; N23-K49 WeakPolarHBondContact OD1-CG 3.42Å; N23-K49 PolarHBondContact OD1-N 3.11Å; Y24-K49 HydrophobicContact CE2-CD 4.29Å; Y24-K49 HydrophobicContact CE2-CG 4.1Å; Y24-K49 PolarHBondContact N-O 3.11Å; Y24-K49 WeakPolarHBondContact OH-CE 3.44Å; K49-N51 VanDerWaalsContact C-N 3.28Å; K49-N51 PolarHBondContact O-N 3.09Å |
| 50 | R | 92.6 | Very high | 84.7 | Confident | 185 Ų | 185 | 84.8 Ų | 84.8 | 70% | 0.698 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 45.6 | 177.3 | -66.8 | -172.4 | 54.6 | -174.3 | 4.2 | 112.6 | Y24 | Y24-R50 WeakPolarHBondContact CA-O 3.26Å; Y24-R50 HydrophobicContact CD1-CB 3.6Å; Y24-R50 HydrophobicContact CD1-CG 4.34Å; Y24-R50 HydrophobicContact CE1-CB 3.66Å; Y24-R50 HydrophobicContact CE1-CG 3.9Å; Y24-R50 VanDerWaalsContact CE1-CZ 3.5Å; Y24-R50 VanDerWaalsContact CE1-NE 3.31Å; Y24-R50 HydrophobicContact CG-CB 4.28Å |
| 51 | N | 91.4 | Very high | 83.1 | Confident | 28 Ų | 28 | 95.3 Ų | 95.3 | 15% | 0.15 | 47% | 0.473 | C | S | . | . | trans | -102.3 | 171.9 | 160.5 | -74.9 | -57.3 | 0 | 0 | 0 | 109.8 | L22 R25 N26 L27 M48 K49 L53 | L22-N51 PolarHBondContact O-ND2 3.43Å; R25-N51 WeakPolarHBondContact CA-OD1 3.35Å; R25-N51 PolarHBondContact N-OD1 3.27Å; N26-N51 PolarHBondContact N-OD1 3.15Å; L27-N51 HydrophobicContact CB-CB 4Å; L27-N51 WeakPolarHBondContact CG-OD1 3.28Å; L27-N51 PolarHBondContact N-OD1 2.89Å; M48-N51 VanDerWaalsContact C-ND2 3.32Å; M48-N51 PolarHBondContact O-ND2 3.13Å; K49-N51 VanDerWaalsContact C-N 3.28Å; K49-N51 PolarHBondContact O-N 3.09Å; N51-L53 HydrophobicContact CB-CG 4.11Å | ||
| 52 | S | 91.8 | Very high | 83 | Confident | 53 Ų | 53 | 93.7 Ų | 93.7 | 37% | 0.371 | 47% | 0.467 | S | S | . | . | trans | -110.3 | 43.5 | -176.9 | -56.9 | 0 | 0 | 0 | 0 | 110.8 | L27 H28 T54 | L27-S52 CarbonylContact O-C 3Å; L27-S52 WeakPolarHBondContact O-CA 3.42Å; L27-S52 PolarHBondContact O-N 3.25Å; H28-S52 WeakPolarHBondContact CA-O 3.39Å; S52-T54 PolarHBondContact O-N 3.42Å; S52-T54 VanDerWaalsContact O-N 3.11Å | ||
| 53 | L | 88.9 | Confident | 82.7 | Confident | 69 Ų | 69 | 94.2 Ų | 94.2 | 36% | 0.361 | 47% | 0.471 | S | S | . | . | trans | -65.3 | 111.1 | -174.6 | -62.9 | 175.9 | 0 | 0 | 0 | 109.8 | L27 H29 M48 N51 | L27-L53 HydrophobicContact CB-CD2 3.88Å; L27-L53 PolarHBondContact O-N 3Å; L27-L53 VanDerWaalsContact O-N 3.13Å; H29-L53 WeakPolarHBondContact O-CD2 3.34Å; M48-L53 HydrophobicContact CE-CD1 4.5Å; N51-L53 HydrophobicContact CB-CG 4.11Å | ||
| 54 | T | 87.1 | Confident | 82.2 | Confident | 110 Ų | 110 | 97.1 Ų | 97.1 | 68% | 0.675 | 49% | 0.485 | S | S | * | . | trans | -99.7 | -8.1 | -179 | 52.6 | 0 | 0 | 0 | 0 | 113.1 | H28 S52 | H28-T54 PolarHBondContact O-N 3.32Å; H28-T54 VanDerWaalsContact O-N 3.11Å; H28-T54 PolarHBondContact O-OG1 3.33Å; S52-T54 PolarHBondContact O-N 3.42Å; S52-T54 VanDerWaalsContact O-N 3.11Å | ||
| 55 | T | 82 | Confident | 81.6 | Confident | 76 Ų | 76 | 96.6 Ų | 96.6 | 47% | 0.466 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -121.8 | 124.2 | -175.7 | -48.7 | 0 | 0 | 0 | 0 | 109.7 | ||
| 56 | L | 72.8 | Confident | 80.9 | Confident | 131 Ų | 131 | 95.4 Ų | 95.4 | 69% | 0.686 | 49% | 0.488 | S | S | * | . | trans | -78.1 | 123.5 | 168.7 | -172.9 | 69.2 | 0 | 0 | 0 | 108.7 | ||||
| 57 | V | 72.9 | Confident | 80.1 | Confident | 15 Ų | 15 | 97.7 Ų | 97.7 | 9% | 0.091 | 50% | 0.499 | C | S | . | . | trans | -72.8 | 128.3 | 176.3 | -91.9 | 0 | 0 | 0 | 0 | 110.3 | F30 L32 S59 L60 | F30-V57 HydrophobicContact CB-CG1 3.77Å; F30-V57 HydrophobicContact CB-CG2 4.02Å; F30-V57 HydrophobicContact CD1-CG1 3.91Å; F30-V57 HydrophobicContact CD1-CG2 4.04Å; F30-V57 HydrophobicContact CD2-CG2 4.28Å; F30-V57 HydrophobicContact CG-CG1 4.09Å; F30-V57 HydrophobicContact CG-CG2 3.84Å; L32-V57 HydrophobicContact CD2-CG1 3.63Å; V57-S59 PolarHBondContact O-N 3.17Å; V57-S59 VanDerWaalsContact O-N 3.15Å; V57-L60 HydrophobicContact CG2-CB 4.26Å; V57-L60 HydrophobicContact CG2-CD1 3.42Å; V57-L60 VanDerWaalsContact CG2-CD1 3.42Å; V57-L60 HydrophobicContact CG2-CG 3.69Å; V57-L60 PolarHBondContact O-N 3.06Å; V57-L60 VanDerWaalsContact O-N 3.09Å | ||
| 58 | P | 67.8 | Low | 79.1 | Confident | 109 Ų | 109 | 97.6 Ų | 97.6 | 71% | 0.708 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -59.7 | -26.4 | -177.7 | -24.6 | 33 | 0 | 0 | 0 | 114.3 | L60 K61 | P58-L60 PolarHBondContact O-N 3.14Å; P58-K61 PolarHBondContact O-N 3.42Å |
| 59 | S | 66.3 | Low | 78.1 | Confident | 77 Ų | 77 | 101.6 Ų | 101.6 | 54% | 0.538 | 53% | 0.529 | S | S | . | . | G | 310 helix | trans | -70.8 | -7.1 | 178.3 | 45.3 | 0 | 0 | 0 | 0 | 114.3 | L35 V57 | L35-S59 WeakPolarHBondContact CD1-OG 3.43Å; V57-S59 PolarHBondContact O-N 3.17Å; V57-S59 VanDerWaalsContact O-N 3.15Å |
| 60 | L | 59.8 | Low | 77 | Confident | 106 Ų | 106 | 100 Ų | 100 | 56% | 0.555 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -106.8 | 18.5 | 174.5 | -62.6 | -178.4 | 0 | 0 | 0 | 112.7 | V57 P58 | V57-L60 HydrophobicContact CG2-CB 4.26Å; V57-L60 HydrophobicContact CG2-CD1 3.42Å; V57-L60 VanDerWaalsContact CG2-CD1 3.42Å; V57-L60 HydrophobicContact CG2-CG 3.69Å; V57-L60 PolarHBondContact O-N 3.06Å; V57-L60 VanDerWaalsContact O-N 3.09Å; P58-L60 PolarHBondContact O-N 3.14Å |
| 61 | K | 50.3 | Low | 75.5 | Confident | 241 Ų | 241 | 92.3 Ų | 92.3 | 100% | 1.048 | 51% | 0.514 | S | S | * | . | trans | -81.3 | 0 | 169.7 | -94.2 | -171.3 | 172.7 | -177.1 | 0 | 112.1 | P58 | P58-K61 PolarHBondContact O-N 3.42Š|
Retrieved 61 of 61 residues in 429.1 ms
(Link to these results)