| 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 | Very low | 80.9 | Confident | 251 Ų | 251 | 133 Ų | 133 | 100% | 1.236 | 70% | 0.703 | S | S | * | * | 0 | 94.8 | 0 | -85.1 | 172.3 | 156.8 | 0 | 0 | 109.5 | |||||
| 2 | A | 54.8 | Low | 82.3 | Confident | 99 Ų | 99 | 129.8 Ų | 129.8 | 82% | 0.818 | 68% | 0.684 | S | S | * | * | trans | -156.4 | 27.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 3 | M | 57.3 | Low | 83.6 | Confident | 173 Ų | 173 | 126.5 Ų | 126.5 | 85% | 0.852 | 66% | 0.663 | S | S | * | * | trans | -87.8 | -5.5 | -176.2 | -68.2 | -143.6 | -70.8 | 0 | 0 | 114.9 | ||||
| 4 | N | 75.4 | Confident | 84.6 | Confident | 145 Ų | 145 | 121.4 Ų | 121.4 | 78% | 0.775 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -83.2 | -27.3 | -166.6 | -143.7 | 28.3 | 0 | 0 | 0 | 114.5 | R8 | N4-R8 WeakPolarHBondContact O-CB 3.49Å |
| 5 | G | 82.4 | Confident | 85.5 | Confident | 58 Ų | 58 | 120.1 Ų | 120.1 | 60% | 0.598 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -77.8 | -39.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | K9 | G5-K9 PolarHBondContact O-N 2.89Å |
| 6 | R | 91 | Very high | 86.3 | Confident | 191 Ų | 191 | 115.3 Ų | 115.3 | 72% | 0.721 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -70 | -48.2 | -178.9 | -179.1 | 176 | 174.3 | 170.7 | 0.4 | 111.9 | R8 K9 E10 | R6-R8 VanDerWaalsContact C-N 3.31Å; R6-R8 PolarHBondContact O-N 3.47Å; R6-K9 WeakPolarHBondContact O-CB 3.35Å; R6-K9 PolarHBondContact O-N 3.37Å; R6-K9 VanDerWaalsContact O-N 3.13Å; R6-E10 WeakPolarHBondContact CG-OE1 3.49Å; R6-E10 IonicContact CZ-OE1 3.75Å; R6-E10 IonicContact NE-OE1 2.89Å; R6-E10 PolarHBondContact NE-OE1 3.13Å; R6-E10 IonicContact NH2-OE1 3.72Å; R6-E10 WeakPolarHBondContact O-CG 3.31Å; R6-E10 PolarHBondContact O-N 2.98Å |
| 7 | A | 93.5 | Very high | 87.1 | Confident | 52 Ų | 52 | 117.6 Ų | 117.6 | 43% | 0.43 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -58.9 | -41.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | K9 E10 A11 | A7-K9 PolarHBondContact O-N 3.23Å; A7-E10 PolarHBondContact O-N 2.97Å; A7-A11 PolarHBondContact O-N 3.31Å |
| 8 | R | 95.6 | Very high | 87.7 | Confident | 187 Ų | 187 | 115.4 Ų | 115.4 | 71% | 0.706 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -60.8 | -44.5 | 175.2 | -178.8 | 176.2 | 178.6 | -179.3 | 0.3 | 112.2 | N4 R6 E10 A11 I12 | N4-R8 WeakPolarHBondContact O-CB 3.49Å; R6-R8 VanDerWaalsContact C-N 3.31Å; R6-R8 PolarHBondContact O-N 3.47Å; R8-E10 VanDerWaalsContact C-N 3.34Å; R8-A11 PolarHBondContact O-N 3.46Å; R8-I12 HydrophobicContact CG-CD1 4.01Å; R8-I12 VanDerWaalsContact O-CG1 3.31Å; R8-I12 WeakPolarHBondContact O-CG1 3.48Å; R8-I12 PolarHBondContact O-N 3.39Å |
| 9 | K | 96.3 | Very high | 88.3 | Confident | 146 Ų | 146 | 115.1 Ų | 115.1 | 64% | 0.635 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -62.2 | -43.3 | 177.6 | -176 | 179.1 | 178.9 | -179.7 | 0 | 111.1 | G5 R6 A7 I12 Q13 | G5-K9 PolarHBondContact O-N 2.89Å; R6-K9 WeakPolarHBondContact O-CB 3.35Å; R6-K9 PolarHBondContact O-N 3.37Å; R6-K9 VanDerWaalsContact O-N 3.13Å; A7-K9 PolarHBondContact O-N 3.23Å; K9-I12 PolarHBondContact O-N 2.99Å; K9-Q13 WeakPolarHBondContact O-CB 3.27Å; K9-Q13 VanDerWaalsContact O-CG 3.27Å; K9-Q13 WeakPolarHBondContact O-CG 3.48Å; K9-Q13 PolarHBondContact O-N 3.38Å |
| 10 | E | 97.5 | Very high | 88.8 | Confident | 104 Ų | 104 | 114.6 Ų | 114.6 | 49% | 0.486 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -61.8 | -44.3 | 177.5 | -72.2 | 168.1 | -177.3 | 0 | 0 | 111.5 | R6 A7 R8 I12 Q13 A14 | R6-E10 WeakPolarHBondContact CG-OE1 3.49Å; R6-E10 IonicContact CZ-OE1 3.75Å; R6-E10 IonicContact NE-OE1 2.89Å; R6-E10 PolarHBondContact NE-OE1 3.13Å; R6-E10 IonicContact NH2-OE1 3.72Å; R6-E10 WeakPolarHBondContact O-CG 3.31Å; R6-E10 PolarHBondContact O-N 2.98Å; A7-E10 PolarHBondContact O-N 2.97Å; R8-E10 VanDerWaalsContact C-N 3.34Å; E10-I12 PolarHBondContact O-N 3.06Å; E10-Q13 PolarHBondContact O-N 2.87Å; E10-A14 WeakPolarHBondContact O-CB 3.47Å; E10-A14 PolarHBondContact O-N 3.27Å |
| 11 | A | 97.1 | Very high | 89.2 | Confident | 57 Ų | 57 | 113.8 Ų | 113.8 | 47% | 0.471 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -61.7 | -41.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | A7 R8 A14 T15 | A7-A11 PolarHBondContact O-N 3.31Å; R8-A11 PolarHBondContact O-N 3.46Å; A11-A14 PolarHBondContact O-N 2.94Å; A11-T15 PolarHBondContact O-N 2.86Å; A11-T15 PolarHBondContact O-OG1 3.48Å |
| 12 | I | 97.9 | Very high | 91.6 | Very high | 94 Ų | 94 | 104.2 Ų | 104.2 | 48% | 0.482 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.8 | -46.2 | 175.7 | -69 | 165.2 | 0 | 0 | 0 | 110.3 | R8 K9 E10 A14 T15 A16 | R8-I12 HydrophobicContact CG-CD1 4.01Å; R8-I12 VanDerWaalsContact O-CG1 3.31Å; R8-I12 WeakPolarHBondContact O-CG1 3.48Å; R8-I12 PolarHBondContact O-N 3.39Å; K9-I12 PolarHBondContact O-N 2.99Å; E10-I12 PolarHBondContact O-N 3.06Å; I12-A14 PolarHBondContact O-N 3.33Å; I12-T15 PolarHBondContact O-N 3.49Å; I12-A16 WeakPolarHBondContact O-CB 3.43Å; I12-A16 PolarHBondContact O-N 3.43Å |
| 13 | Q | 98.4 | Very high | 93.7 | Very high | 88 Ų | 88 | 103.4 Ų | 103.4 | 41% | 0.411 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.6 | -38.1 | 179.7 | -71.5 | -66.3 | -37.9 | 0 | 0 | 112.2 | K9 E10 A16 R17 | K9-Q13 WeakPolarHBondContact O-CB 3.27Å; K9-Q13 VanDerWaalsContact O-CG 3.27Å; K9-Q13 WeakPolarHBondContact O-CG 3.48Å; K9-Q13 PolarHBondContact O-N 3.38Å; E10-Q13 PolarHBondContact O-N 2.87Å; Q13-A16 PolarHBondContact O-N 3.29Å; Q13-R17 WeakPolarHBondContact O-CB 3.23Å; Q13-R17 VanDerWaalsContact O-CG 3.23Å; Q13-R17 WeakPolarHBondContact O-CG 3.48Å; Q13-R17 PolarHBondContact O-N 2.97Å |
| 14 | A | 98.2 | Very high | 95.6 | Very high | 55 Ų | 55 | 101.4 Ų | 101.4 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.7 | -47.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | E10 A11 I12 A16 R17 E18 | E10-A14 WeakPolarHBondContact O-CB 3.47Å; E10-A14 PolarHBondContact O-N 3.27Å; A11-A14 PolarHBondContact O-N 2.94Å; I12-A14 PolarHBondContact O-N 3.33Å; A14-A16 PolarHBondContact O-N 3.02Å; A14-R17 PolarHBondContact O-N 3Å; A14-E18 PolarHBondContact O-N 3.29Å |
| 15 | T | 98.3 | Very high | 96.7 | Very high | 101 Ų | 101 | 101.4 Ų | 101.4 | 62% | 0.62 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60 | -46.1 | 177.5 | -53.6 | 0 | 0 | 0 | 0 | 111.6 | A11 I12 R17 E18 L19 | A11-T15 PolarHBondContact O-N 2.86Å; A11-T15 PolarHBondContact O-OG1 3.48Å; I12-T15 PolarHBondContact O-N 3.49Å; T15-R17 PolarHBondContact O-N 3.32Å; T15-E18 PolarHBondContact O-N 3.49Å; T15-L19 PolarHBondContact O-N 3.46Å |
| 16 | A | 98.6 | Very high | 97.4 | Very high | 43 Ų | 43 | 99.4 Ų | 99.4 | 36% | 0.355 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.4 | -42.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I12 Q13 A14 E18 L19 L20 | I12-A16 WeakPolarHBondContact O-CB 3.43Å; I12-A16 PolarHBondContact O-N 3.43Å; Q13-A16 PolarHBondContact O-N 3.29Å; A14-A16 PolarHBondContact O-N 3.02Å; A16-E18 VanDerWaalsContact C-N 3.35Å; A16-E18 PolarHBondContact O-N 3Å; A16-L19 PolarHBondContact O-N 3.47Å; A16-L20 WeakPolarHBondContact O-CG 3.34Å; A16-L20 PolarHBondContact O-N 2.99Å |
| 17 | R | 98.7 | Very high | 97.7 | Very high | 156 Ų | 156 | 95.2 Ų | 95.2 | 59% | 0.589 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.1 | -39 | 176.7 | -71.7 | 171.1 | -161.3 | -97.8 | -0.4 | 112.1 | Q13 A14 T15 L20 K21 | Q13-R17 WeakPolarHBondContact O-CB 3.23Å; Q13-R17 VanDerWaalsContact O-CG 3.23Å; Q13-R17 WeakPolarHBondContact O-CG 3.48Å; Q13-R17 PolarHBondContact O-N 2.97Å; A14-R17 PolarHBondContact O-N 3Å; T15-R17 PolarHBondContact O-N 3.32Å; R17-L20 PolarHBondContact O-N 3.08Å; R17-K21 WeakPolarHBondContact O-CG 3.42Å; R17-K21 PolarHBondContact O-N 3.47Å |
| 18 | E | 98.4 | Very high | 97.9 | Very high | 78 Ų | 78 | 94.3 Ų | 94.3 | 36% | 0.364 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.3 | -39.4 | 175.7 | -77.5 | -54.2 | 126.4 | 0 | 0 | 112.5 | A14 T15 A16 K21 F22 R39 | A14-E18 PolarHBondContact O-N 3.29Å; T15-E18 PolarHBondContact O-N 3.49Å; A16-E18 VanDerWaalsContact C-N 3.35Å; A16-E18 PolarHBondContact O-N 3Å; E18-K21 PolarHBondContact O-N 2.7Å; E18-K21 WeakPolarHBondContact OE1-CD 3.48Å; E18-K21 WeakPolarHBondContact OE1-CE 3.44Å; E18-K21 IonicContact OE1-NZ 2.7Å; E18-K21 PolarHBondContact OE1-NZ 3.4Å; E18-F22 PolarHBondContact O-N 2.96Å; E18-R39 IonicContact OE2-NH1 3.99Å |
| 19 | L | 98.5 | Very high | 98.1 | Very high | 108 Ų | 108 | 89.2 Ų | 89.2 | 57% | 0.565 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60.7 | -45.9 | 171.9 | 176.6 | 62.6 | 0 | 0 | 0 | 111.5 | T15 A16 K21 F22 V23 | T15-L19 PolarHBondContact O-N 3.46Å; A16-L19 PolarHBondContact O-N 3.47Å; L19-K21 VanDerWaalsContact C-N 3.31Å; L19-K21 PolarHBondContact O-N 3.41Å; L19-F22 WeakPolarHBondContact O-CB 3.4Å; L19-F22 PolarHBondContact O-N 2.81Å; L19-F22 VanDerWaalsContact O-N 3.13Å; L19-V23 HydrophobicContact CD1-CG2 4.14Å; L19-V23 HydrophobicContact CG-CG2 4.45Å; L19-V23 WeakPolarHBondContact O-CG2 3.2Å; L19-V23 PolarHBondContact O-N 2.96Å |
| 20 | L | 98.6 | Very high | 98.1 | Very high | 106 Ų | 106 | 87.7 Ų | 87.7 | 56% | 0.555 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -60.4 | -41.1 | 177.7 | -69.5 | 174 | 0 | 0 | 0 | 111.9 | A16 R17 V23 N24 | A16-L20 WeakPolarHBondContact O-CG 3.34Å; A16-L20 PolarHBondContact O-N 2.99Å; R17-L20 PolarHBondContact O-N 3.08Å; L20-V23 PolarHBondContact O-N 3.36Å; L20-N24 VanDerWaalsContact O-CB 3.31Å; L20-N24 WeakPolarHBondContact O-CB 3.4Å; L20-N24 PolarHBondContact O-N 3.13Å; L20-N24 PolarHBondContact O-ND2 2.98Å |
| 21 | K | 98.6 | Very high | 98.2 | Very high | 98 Ų | 98 | 87.3 Ų | 87.3 | 43% | 0.426 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 173.6 | -71 | 174.8 | -171 | 171.4 | 0 | 111.7 | R17 E18 L19 R25 | R17-K21 WeakPolarHBondContact O-CG 3.42Å; R17-K21 PolarHBondContact O-N 3.47Å; E18-K21 PolarHBondContact O-N 2.7Å; E18-K21 WeakPolarHBondContact OE1-CD 3.48Å; E18-K21 WeakPolarHBondContact OE1-CE 3.44Å; E18-K21 IonicContact OE1-NZ 2.7Å; E18-K21 PolarHBondContact OE1-NZ 3.4Å; L19-K21 VanDerWaalsContact C-N 3.31Å; L19-K21 PolarHBondContact O-N 3.41Å; K21-R25 WeakPolarHBondContact O-CB 3.43Å; K21-R25 VanDerWaalsContact O-CG 3.29Å; K21-R25 WeakPolarHBondContact O-CG 3.42Å; K21-R25 PolarHBondContact O-N 2.85Å; K21-R25 VanDerWaalsContact O-N 3.13Å |
| 22 | F | 98.6 | Very high | 98.3 | Very high | 50 Ų | 50 | 87 Ų | 87 | 22% | 0.219 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -60.4 | -49.5 | 177.5 | -179.6 | -92.4 | 0 | 0 | 0 | 111.5 | E18 L19 R25 S26 V32 E35 | E18-F22 PolarHBondContact O-N 2.96Å; L19-F22 WeakPolarHBondContact O-CB 3.4Å; L19-F22 PolarHBondContact O-N 2.81Å; L19-F22 VanDerWaalsContact O-N 3.13Å; F22-R25 PolarHBondContact O-N 2.99Å; F22-S26 VanDerWaalsContact O-CB 3.28Å; F22-S26 WeakPolarHBondContact O-CB 3.4Å; F22-S26 PolarHBondContact O-N 3.33Å; F22-S26 PolarHBondContact O-OG 3.01Å; F22-V32 HydrophobicContact CE1-CG1 4.39Å; F22-V32 HydrophobicContact CZ-CG1 3.98Å; F22-E35 HydrophobicContact CD2-CB 4.42Å; F22-E35 HydrophobicContact CD2-CG 3.43Å; F22-E35 VanDerWaalsContact CD2-CG 3.43Å; F22-E35 HydrophobicContact CE2-CB 4.16Å; F22-E35 HydrophobicContact CE2-CG 3.61Å; F22-E35 HydrophobicContact CG-CG 4.41Å |
| 23 | V | 98.5 | Very high | 98.3 | Very high | 82 Ų | 82 | 83 Ų | 83 | 50% | 0.497 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.8 | -47.5 | 179.1 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | L19 L20 R25 S26 | L19-V23 HydrophobicContact CD1-CG2 4.14Å; L19-V23 HydrophobicContact CG-CG2 4.45Å; L19-V23 WeakPolarHBondContact O-CG2 3.2Å; L19-V23 PolarHBondContact O-N 2.96Å; L20-V23 PolarHBondContact O-N 3.36Å; V23-R25 PolarHBondContact O-N 2.87Å; V23-S26 PolarHBondContact O-N 2.91Å |
| 24 | N | 98.3 | Very high | 98.3 | Very high | 130 Ų | 130 | 81.4 Ų | 81.4 | 70% | 0.695 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -63 | -29.1 | -179.1 | -72.4 | -16.5 | 0 | 0 | 0 | 113.2 | L20 S26 | L20-N24 VanDerWaalsContact O-CB 3.31Å; L20-N24 WeakPolarHBondContact O-CB 3.4Å; L20-N24 PolarHBondContact O-N 3.13Å; L20-N24 PolarHBondContact O-ND2 2.98Å; N24-S26 VanDerWaalsContact C-N 3.31Å |
| 25 | R | 97.9 | Very high | 98.3 | Very high | 146 Ų | 146 | 79.8 Ų | 79.8 | 55% | 0.551 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -7.9 | 175.4 | -71.2 | 176.3 | -179.4 | 175.9 | -2.9 | 113.7 | K21 F22 V23 P27 E35 | K21-R25 WeakPolarHBondContact O-CB 3.43Å; K21-R25 VanDerWaalsContact O-CG 3.29Å; K21-R25 WeakPolarHBondContact O-CG 3.42Å; K21-R25 PolarHBondContact O-N 2.85Å; K21-R25 VanDerWaalsContact O-N 3.13Å; F22-R25 PolarHBondContact O-N 2.99Å; V23-R25 PolarHBondContact O-N 2.87Å; R25-P27 VanDerWaalsContact O-CD 3.24Å; R25-P27 WeakPolarHBondContact O-CD 3.44Å; R25-E35 VanDerWaalsContact CD-OE2 3.31Å; R25-E35 WeakPolarHBondContact CD-OE2 3.09Å; R25-E35 IonicContact NH1-OE1 2.83Å; R25-E35 PolarHBondContact NH1-OE1 2.89Å; R25-E35 IonicContact NH1-OE2 3.23Å |
| 26 | S | 97.3 | Very high | 98.3 | Very high | 16 Ų | 16 | 76.4 Ų | 76.4 | 11% | 0.112 | 40% | 0.401 | C | S | . | . | trans | -122 | 59.6 | -167.3 | -54.2 | 0 | 0 | 0 | 0 | 113.4 | F22 V23 N24 S28 | F22-S26 VanDerWaalsContact O-CB 3.28Å; F22-S26 WeakPolarHBondContact O-CB 3.4Å; F22-S26 PolarHBondContact O-N 3.33Å; F22-S26 PolarHBondContact O-OG 3.01Å; V23-S26 PolarHBondContact O-N 2.91Å; N24-S26 VanDerWaalsContact C-N 3.31Å; S26-S28 PolarHBondContact O-N 2.95Å | ||
| 27 | P | 97.5 | Very high | 98.3 | Very high | 102 Ų | 102 | 79.7 Ų | 79.7 | 66% | 0.662 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -71 | -9.4 | -175.7 | 30.3 | -38.1 | 0 | 0 | 0 | 114.5 | R25 H31 | R25-P27 VanDerWaalsContact O-CD 3.24Å; R25-P27 WeakPolarHBondContact O-CD 3.44Å; P27-H31 HydrophobicContact CG-CB 4.28Å |
| 28 | S | 98.1 | Very high | 98.3 | Very high | 34 Ų | 34 | 74.6 Ų | 74.6 | 24% | 0.238 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -147.5 | 164.7 | 174.3 | 80.4 | 0 | 0 | 0 | 0 | 111 | S26 F30 H31 V32 | S26-S28 PolarHBondContact O-N 2.95Å; S28-F30 PolarHBondContact O-N 3.03Å; S28-F30 VanDerWaalsContact O-N 3.15Å; S28-H31 WeakPolarHBondContact O-CA 3.44Å; S28-H31 WeakPolarHBondContact O-CB 3.37Å; S28-H31 PolarHBondContact O-N 3.24Å; S28-H31 PolarHBondContact OG-ND1 3.34Å; S28-V32 WeakPolarHBondContact O-CG2 3.4Å; S28-V32 PolarHBondContact O-N 3.11Å |
| 29 | P | 98.1 | Very high | 98.3 | Very high | 80 Ų | 80 | 74.9 Ų | 74.9 | 52% | 0.519 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -54.5 | -34.1 | 177.8 | -27.8 | 36.1 | 0 | 0 | 0 | 114 | V32 V33 | P29-V32 WeakPolarHBondContact O-CB 3.31Å; P29-V32 PolarHBondContact O-N 3.48Å; P29-V33 PolarHBondContact O-N 3.39Å |
| 30 | F | 98.2 | Very high | 98.3 | Very high | 113 Ų | 113 | 71 Ų | 71 | 50% | 0.496 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65 | -40.7 | 175.4 | -56.3 | -78.4 | 0 | 0 | 0 | 112.2 | S28 V33 A34 S68 | S28-F30 PolarHBondContact O-N 3.03Å; S28-F30 VanDerWaalsContact O-N 3.15Å; F30-V33 PolarHBondContact O-N 3.06Å; F30-A34 WeakPolarHBondContact O-CB 3.23Å; F30-A34 PolarHBondContact O-N 3.3Å; F30-S68 WeakPolarHBondContact CA-O 3.47Å; F30-S68 WeakPolarHBondContact CD1-O 3.47Å |
| 31 | H | 98.4 | Very high | 98.3 | Very high | 97 Ų | 97 | 70 Ų | 70 | 45% | 0.449 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -70.9 | -35.3 | 175.9 | -63.9 | 92.5 | 0 | 0 | 0 | 112 | P27 S28 V33 A34 E35 | P27-H31 HydrophobicContact CG-CB 4.28Å; S28-H31 WeakPolarHBondContact O-CA 3.44Å; S28-H31 WeakPolarHBondContact O-CB 3.37Å; S28-H31 PolarHBondContact O-N 3.24Å; S28-H31 PolarHBondContact OG-ND1 3.34Å; H31-V33 VanDerWaalsContact C-N 3.34Å; H31-V33 PolarHBondContact O-N 3.5Å; H31-A34 PolarHBondContact O-N 3.4Å; H31-E35 WeakPolarHBondContact O-CB 3.4Å; H31-E35 PolarHBondContact O-N 3.05Å |
| 32 | V | 98.5 | Very high | 98.3 | Very high | 51 Ų | 51 | 72.7 Ų | 72.7 | 31% | 0.309 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -56.4 | -50.8 | 171.5 | 176.2 | 0 | 0 | 0 | 0 | 109.9 | F22 S28 P29 A34 E35 C36 | F22-V32 HydrophobicContact CE1-CG1 4.39Å; F22-V32 HydrophobicContact CZ-CG1 3.98Å; S28-V32 WeakPolarHBondContact O-CG2 3.4Å; S28-V32 PolarHBondContact O-N 3.11Å; P29-V32 WeakPolarHBondContact O-CB 3.31Å; P29-V32 PolarHBondContact O-N 3.48Å; V32-A34 VanDerWaalsContact C-N 3.34Å; V32-A34 PolarHBondContact O-N 2.96Å; V32-E35 PolarHBondContact O-N 2.87Å; V32-C36 WeakPolarHBondContact O-CB 3.38Å; V32-C36 PolarHBondContact O-N 3.31Å; V32-C36 PolarHBondContact O-SG 2.89Å; V32-C36 VanDerWaalsContact O-SG 3.33Å |
| 33 | V | 98.6 | Very high | 98.3 | Very high | 8 Ų | 8 | 72.7 Ų | 72.7 | 5% | 0.048 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.2 | -40.1 | 178.9 | 168.4 | 0 | 0 | 0 | 0 | 111.6 | P29 F30 H31 C36 R37 T65 S68 I71 | P29-V33 PolarHBondContact O-N 3.39Å; F30-V33 PolarHBondContact O-N 3.06Å; H31-V33 VanDerWaalsContact C-N 3.34Å; H31-V33 PolarHBondContact O-N 3.5Å; V33-C36 PolarHBondContact O-N 2.94Å; V33-R37 VanDerWaalsContact O-CB 3.3Å; V33-R37 WeakPolarHBondContact O-CB 3.31Å; V33-R37 PolarHBondContact O-N 3.44Å; V33-T65 HydrophobicContact CG1-CG2 3.56Å; V33-S68 WeakPolarHBondContact CB-O 3.5Å; V33-I71 HydrophobicContact CG1-CB 4.22Å; V33-I71 HydrophobicContact CG1-CD1 4.5Å; V33-I71 HydrophobicContact CG2-CB 4.23Å; V33-I71 HydrophobicContact CG2-CG2 4.24Å |
| 34 | A | 98.4 | Very high | 98.3 | Very high | 56 Ų | 56 | 71.4 Ų | 71.4 | 46% | 0.463 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F30 H31 V32 R37 S38 | F30-A34 WeakPolarHBondContact O-CB 3.23Å; F30-A34 PolarHBondContact O-N 3.3Å; H31-A34 PolarHBondContact O-N 3.4Å; V32-A34 VanDerWaalsContact C-N 3.34Å; V32-A34 PolarHBondContact O-N 2.96Å; A34-R37 PolarHBondContact O-N 3.25Å; A34-S38 PolarHBondContact O-N 2.82Å |
| 35 | E | 98.6 | Very high | 98.4 | Very high | 21 Ų | 21 | 67 Ų | 67 | 10% | 0.098 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.4 | -42.3 | 175.7 | 179 | 67.6 | -173.8 | 0 | 0 | 111.1 | F22 R25 H31 V32 S38 R39 | F22-E35 HydrophobicContact CD2-CB 4.42Å; F22-E35 HydrophobicContact CD2-CG 3.43Å; F22-E35 VanDerWaalsContact CD2-CG 3.43Å; F22-E35 HydrophobicContact CE2-CB 4.16Å; F22-E35 HydrophobicContact CE2-CG 3.61Å; F22-E35 HydrophobicContact CG-CG 4.41Å; R25-E35 VanDerWaalsContact CD-OE2 3.31Å; R25-E35 WeakPolarHBondContact CD-OE2 3.09Å; R25-E35 IonicContact NH1-OE1 2.83Å; R25-E35 PolarHBondContact NH1-OE1 2.89Å; R25-E35 IonicContact NH1-OE2 3.23Å; H31-E35 WeakPolarHBondContact O-CB 3.4Å; H31-E35 PolarHBondContact O-N 3.05Å; V32-E35 PolarHBondContact O-N 2.87Å; E35-S38 PolarHBondContact O-N 2.81Å; E35-R39 WeakPolarHBondContact O-CG 3.29Å; E35-R39 PolarHBondContact O-N 3.44Å; E35-R39 IonicContact OE1-CZ 3.25Å; E35-R39 VanDerWaalsContact OE1-CZ 3.25Å; E35-R39 IonicContact OE1-NE 2.81Å; E35-R39 PolarHBondContact OE1-NE 3.13Å; E35-R39 IonicContact OE1-NH2 2.82Å; E35-R39 PolarHBondContact OE1-NH2 2.96Å |
| 36 | C | 98.6 | Very high | 98.4 | Very high | 30 Ų | 30 | 66.1 Ų | 66.1 | 20% | 0.203 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.9 | -47.2 | 173.5 | -73 | 0 | 0 | 0 | 0 | 111.7 | V32 V33 S38 R39 L40 I71 | V32-C36 WeakPolarHBondContact O-CB 3.38Å; V32-C36 PolarHBondContact O-N 3.31Å; V32-C36 PolarHBondContact O-SG 2.89Å; V32-C36 VanDerWaalsContact O-SG 3.33Å; V33-C36 PolarHBondContact O-N 2.94Å; C36-S38 PolarHBondContact O-N 3.23Å; C36-R39 PolarHBondContact O-N 3.24Å; C36-L40 WeakPolarHBondContact O-CB 3.28Å; C36-L40 WeakPolarHBondContact O-CD1 3.49Å; C36-L40 VanDerWaalsContact O-CG 3.23Å; C36-L40 WeakPolarHBondContact O-CG 3.3Å; C36-L40 PolarHBondContact O-N 3.45Å; C36-I71 HydrophobicContact CB-CD1 3.86Å; C36-I71 HydrophobicContact CB-CG2 4.25Å |
| 37 | R | 98.6 | Very high | 98.4 | Very high | 111 Ų | 111 | 68.4 Ų | 68.4 | 42% | 0.419 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -55.4 | -48.6 | 175.8 | 173.6 | 171.7 | -172.7 | -140.1 | 5 | 111.3 | V33 A34 R39 L40 L41 E47 F63 I71 | V33-R37 VanDerWaalsContact O-CB 3.3Å; V33-R37 WeakPolarHBondContact O-CB 3.31Å; V33-R37 PolarHBondContact O-N 3.44Å; A34-R37 PolarHBondContact O-N 3.25Å; R37-R39 PolarHBondContact O-N 3.32Å; R37-L40 PolarHBondContact O-N 2.71Å; R37-L41 HydrophobicContact CG-CD1 3.94Å; R37-L41 WeakPolarHBondContact O-CB 3.12Å; R37-L41 VanDerWaalsContact O-CG 3.3Å; R37-L41 WeakPolarHBondContact O-CG 3.4Å; R37-L41 PolarHBondContact O-N 2.93Å; R37-E47 IonicContact CZ-OE1 3.72Å; R37-E47 IonicContact CZ-OE2 3.58Å; R37-E47 IonicContact NE-OE1 2.68Å; R37-E47 PolarHBondContact NE-OE1 3.05Å; R37-E47 IonicContact NE-OE2 3.19Å; R37-E47 PolarHBondContact NE-OE2 3.35Å; R37-E47 IonicContact NH2-OE1 3.15Å; R37-E47 IonicContact NH2-OE2 3.52Å; R37-E47 PolarHBondContact NH2-OE2 2.89Å; R37-F63 HydrophobicContact CB-CE2 4.12Å; R37-F63 HydrophobicContact CB-CZ 4.44Å; R37-F63 HydrophobicContact CG-CE2 3.7Å; R37-F63 HydrophobicContact CG-CZ 3.7Å; R37-I71 HydrophobicContact CB-CD1 4.45Å |
| 38 | S | 98.5 | Very high | 98.4 | Very high | 49 Ų | 49 | 64.4 Ų | 64.4 | 34% | 0.343 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58.6 | -45.7 | 178.1 | -178.5 | 0 | 0 | 0 | 0 | 112.4 | A34 E35 C36 L41 Q42 | A34-S38 PolarHBondContact O-N 2.82Å; E35-S38 PolarHBondContact O-N 2.81Å; C36-S38 PolarHBondContact O-N 3.23Å; S38-L41 PolarHBondContact O-N 3.17Å; S38-Q42 VanDerWaalsContact O-CG 3.31Å; S38-Q42 WeakPolarHBondContact O-CG 3.28Å; S38-Q42 PolarHBondContact O-N 2.98Å; S38-Q42 PolarHBondContact O-NE2 3.46Å; S38-Q42 PolarHBondContact OG-NE2 3.43Å |
| 39 | R | 98.6 | Very high | 98.4 | Very high | 84 Ų | 84 | 68.6 Ų | 68.6 | 32% | 0.317 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.2 | -39.8 | 178.2 | -69.8 | 175.4 | -178.2 | -116.2 | -0.8 | 112.6 | E18 E35 C36 R37 Q42 A43 | E18-R39 IonicContact OE2-NH1 3.99Å; E35-R39 WeakPolarHBondContact O-CG 3.29Å; E35-R39 PolarHBondContact O-N 3.44Å; E35-R39 IonicContact OE1-CZ 3.25Å; E35-R39 VanDerWaalsContact OE1-CZ 3.25Å; E35-R39 IonicContact OE1-NE 2.81Å; E35-R39 PolarHBondContact OE1-NE 3.13Å; E35-R39 IonicContact OE1-NH2 2.82Å; E35-R39 PolarHBondContact OE1-NH2 2.96Å; C36-R39 PolarHBondContact O-N 3.24Å; R37-R39 PolarHBondContact O-N 3.32Å; R39-Q42 PolarHBondContact O-N 2.88Å; R39-A43 WeakPolarHBondContact O-CB 3.45Å; R39-A43 PolarHBondContact O-N 3.37Å |
| 40 | L | 98.8 | Very high | 98.1 | Very high | 28 Ų | 28 | 69.3 Ų | 69.3 | 15% | 0.147 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.6 | -44.1 | 177.8 | -73.1 | 164.5 | 0 | 0 | 0 | 111.5 | C36 R37 Q42 A43 G44 F45 F63 I71 A73 | C36-L40 WeakPolarHBondContact O-CB 3.28Å; C36-L40 WeakPolarHBondContact O-CD1 3.49Å; C36-L40 VanDerWaalsContact O-CG 3.23Å; C36-L40 WeakPolarHBondContact O-CG 3.3Å; C36-L40 PolarHBondContact O-N 3.45Å; R37-L40 PolarHBondContact O-N 2.71Å; L40-Q42 VanDerWaalsContact C-N 3.35Å; L40-Q42 PolarHBondContact O-N 3.3Å; L40-A43 CarbonylContact O-C 3.52Å; L40-A43 PolarHBondContact O-N 3.33Å; L40-A43 VanDerWaalsContact O-N 3.11Å; L40-G44 PolarHBondContact O-N 2.99Å; L40-F45 HydrophobicContact CB-CB 4.07Å; L40-F45 HydrophobicContact CB-CD2 4.39Å; L40-F45 HydrophobicContact CB-CG 4.2Å; L40-F45 HydrophobicContact CD2-CD1 3.83Å; L40-F45 HydrophobicContact CD2-CD2 3.79Å; L40-F45 HydrophobicContact CD2-CE1 3.92Å; L40-F45 HydrophobicContact CD2-CE2 3.84Å; L40-F45 HydrophobicContact CD2-CG 3.8Å; L40-F45 HydrophobicContact CD2-CZ 3.92Å; L40-F45 WeakPolarHBondContact O-CB 3.31Å; L40-F45 WeakPolarHBondContact O-CD2 3.25Å; L40-F45 PolarHBondContact O-N 3.4Å; L40-F63 HydrophobicContact CB-CD1 4.02Å; L40-F63 HydrophobicContact CB-CE1 4.28Å; L40-F63 HydrophobicContact CB-CG 4.4Å; L40-F63 HydrophobicContact CD1-CB 3.89Å; L40-F63 HydrophobicContact CD1-CD1 4.35Å; L40-F63 HydrophobicContact CD1-CD2 4.24Å; L40-F63 HydrophobicContact CD1-CG 3.9Å; L40-I71 HydrophobicContact CD1-CD1 3.56Å; L40-I71 HydrophobicContact CD1-CG1 4.32Å; L40-A73 HydrophobicContact CD1-CB 3.78Å; L40-A73 HydrophobicContact CD2-CB 3.71Å; L40-A73 HydrophobicContact CG-CB 4.42Å |
| 41 | L | 98.6 | Very high | 97.9 | Very high | 84 Ų | 84 | 70.3 Ų | 70.3 | 44% | 0.44 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -59.5 | -45.1 | 174.2 | -71.1 | 168.5 | 0 | 0 | 0 | 111.3 | R37 S38 A43 G44 F63 | R37-L41 HydrophobicContact CG-CD1 3.94Å; R37-L41 WeakPolarHBondContact O-CB 3.12Å; R37-L41 VanDerWaalsContact O-CG 3.3Å; R37-L41 WeakPolarHBondContact O-CG 3.4Å; R37-L41 PolarHBondContact O-N 2.93Å; S38-L41 PolarHBondContact O-N 3.17Å; L41-A43 VanDerWaalsContact C-N 3.25Å; L41-A43 PolarHBondContact O-N 3.36Å; L41-G44 PolarHBondContact O-N 2.84Å; L41-F63 HydrophobicContact CD2-CE1 3.85Å; L41-F63 HydrophobicContact CD2-CZ 4.08Å; L41-F63 HydrophobicContact CG-CE1 4.05Å; L41-F63 HydrophobicContact CG-CZ 4.07Å |
| 42 | Q | 98.5 | Very high | 97.7 | Very high | 154 Ų | 154 | 70.4 Ų | 70.4 | 72% | 0.72 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -62.5 | -31.2 | 175.1 | -71.9 | 170.3 | 53.4 | 0 | 0 | 112.9 | S38 R39 L40 G44 | S38-Q42 VanDerWaalsContact O-CG 3.31Å; S38-Q42 WeakPolarHBondContact O-CG 3.28Å; S38-Q42 PolarHBondContact O-N 2.98Å; S38-Q42 PolarHBondContact O-NE2 3.46Å; S38-Q42 PolarHBondContact OG-NE2 3.43Å; R39-Q42 PolarHBondContact O-N 2.88Å; L40-Q42 VanDerWaalsContact C-N 3.35Å; L40-Q42 PolarHBondContact O-N 3.3Å; Q42-G44 PolarHBondContact O-N 3.43Å |
| 43 | A | 98.4 | Very high | 97.5 | Very high | 50 Ų | 50 | 71.9 Ų | 71.9 | 41% | 0.413 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | 5.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | R39 L40 L41 F45 K61 | R39-A43 WeakPolarHBondContact O-CB 3.45Å; R39-A43 PolarHBondContact O-N 3.37Å; L40-A43 CarbonylContact O-C 3.52Å; L40-A43 PolarHBondContact O-N 3.33Å; L40-A43 VanDerWaalsContact O-N 3.11Å; L41-A43 VanDerWaalsContact C-N 3.25Å; L41-A43 PolarHBondContact O-N 3.36Å; A43-F45 HydrophobicContact CB-CD2 3.97Å; A43-F45 HydrophobicContact CB-CE2 4.11Å; A43-K61 PolarHBondContact O-NZ 3.19Å |
| 44 | G | 98.4 | Very high | 97.4 | Very high | 55 Ų | 55 | 77 Ų | 77 | 57% | 0.567 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | 25.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L40 L41 Q42 | L40-G44 PolarHBondContact O-N 2.99Å; L41-G44 PolarHBondContact O-N 2.84Å; Q42-G44 PolarHBondContact O-N 3.43Å |
| 45 | F | 98.7 | Very high | 97.2 | Very high | 37 Ų | 37 | 80 Ų | 80 | 16% | 0.162 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -79.4 | 143.7 | 168.9 | -72.8 | -116.3 | 0 | 0 | 0 | 110.5 | L40 A43 K61 Y62 F63 A73 | L40-F45 HydrophobicContact CB-CB 4.07Å; L40-F45 HydrophobicContact CB-CD2 4.39Å; L40-F45 HydrophobicContact CB-CG 4.2Å; L40-F45 HydrophobicContact CD2-CD1 3.83Å; L40-F45 HydrophobicContact CD2-CD2 3.79Å; L40-F45 HydrophobicContact CD2-CE1 3.92Å; L40-F45 HydrophobicContact CD2-CE2 3.84Å; L40-F45 HydrophobicContact CD2-CG 3.8Å; L40-F45 HydrophobicContact CD2-CZ 3.92Å; L40-F45 WeakPolarHBondContact O-CB 3.31Å; L40-F45 WeakPolarHBondContact O-CD2 3.25Å; L40-F45 PolarHBondContact O-N 3.4Å; A43-F45 HydrophobicContact CB-CD2 3.97Å; A43-F45 HydrophobicContact CB-CE2 4.11Å; F45-K61 WeakPolarHBondContact CA-O 3.46Å; F45-K61 HydrophobicContact CB-CB 4.34Å; F45-K61 HydrophobicContact CD1-CB 3.59Å; F45-K61 HydrophobicContact CD2-CB 4Å; F45-K61 HydrophobicContact CD2-CD 4.14Å; F45-K61 HydrophobicContact CE1-CB 3.75Å; F45-K61 HydrophobicContact CE1-CD 4.44Å; F45-K61 HydrophobicContact CE1-CG 4.25Å; F45-K61 HydrophobicContact CE2-CB 4.16Å; F45-K61 HydrophobicContact CE2-CD 3.7Å; F45-K61 HydrophobicContact CE2-CG 4.36Å; F45-K61 HydrophobicContact CG-CB 3.71Å; F45-K61 HydrophobicContact CZ-CB 4.03Å; F45-K61 HydrophobicContact CZ-CD 3.85Å; F45-K61 HydrophobicContact CZ-CG 4.14Å; F45-Y62 WeakPolarHBondContact CD1-O 3.3Å; F45-F63 HydrophobicContact CB-CD1 3.8Å; F45-F63 HydrophobicContact CB-CE1 4.39Å; F45-A73 HydrophobicContact CD1-CB 4.43Å; F45-A73 HydrophobicContact CE1-CB 4.19Å |
| 46 | R | 98.3 | Very high | 97.1 | Very high | 128 Ų | 128 | 81.5 Ų | 81.5 | 48% | 0.483 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 132.1 | 173.2 | -173.9 | 171.3 | 76 | -170.4 | 3.3 | 110.8 | D55 K61 Y62 F63 | R46-D55 PolarHBondContact NH2-O 3.35Å; R46-K61 PolarHBondContact N-O 2.83Å; R46-Y62 HydrophobicContact CB-CD1 4.04Å; R46-Y62 HydrophobicContact CB-CE1 4.37Å; R46-Y62 VanDerWaalsContact NH2-CE1 3.28Å; R46-Y62 CarbonylContact O-C 3.49Å; R46-Y62 VanDerWaalsContact O-CA 3.25Å; R46-Y62 WeakPolarHBondContact O-CA 3.48Å; R46-F63 PolarHBondContact O-N 2.92Å |
| 47 | E | 98.1 | Very high | 96.9 | Very high | 65 Ų | 65 | 83 Ų | 83 | 30% | 0.304 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 134 | 173.5 | -167.7 | 164.7 | -170.2 | 0 | 0 | 110.8 | R37 F63 | R37-E47 IonicContact CZ-OE1 3.72Å; R37-E47 IonicContact CZ-OE2 3.58Å; R37-E47 IonicContact NE-OE1 2.68Å; R37-E47 PolarHBondContact NE-OE1 3.05Å; R37-E47 IonicContact NE-OE2 3.19Å; R37-E47 PolarHBondContact NE-OE2 3.35Å; R37-E47 IonicContact NH2-OE1 3.15Å; R37-E47 IonicContact NH2-OE2 3.52Å; R37-E47 PolarHBondContact NH2-OE2 2.89Å; E47-F63 CarbonylContact C-O 3.59Å; E47-F63 WeakPolarHBondContact CA-O 3.48Å; E47-F63 HydrophobicContact CB-CD1 4.43Å; E47-F63 HydrophobicContact CB-CE1 3.68Å; E47-F63 HydrophobicContact CB-CE2 4.02Å; E47-F63 HydrophobicContact CB-CZ 3.43Å; E47-F63 VanDerWaalsContact CB-CZ 3.43Å; E47-F63 HydrophobicContact CG-CD2 4.36Å; E47-F63 HydrophobicContact CG-CE1 4.25Å; E47-F63 HydrophobicContact CG-CE2 3.64Å; E47-F63 HydrophobicContact CG-CZ 3.57Å |
| 48 | L | 98.3 | Very high | 96.8 | Very high | 17 Ų | 17 | 79.9 Ų | 79.9 | 9% | 0.089 | 43% | 0.434 | C | S | . | . | trans | -106.4 | 144.4 | 173.2 | -59.3 | 177.1 | 0 | 0 | 0 | 109.6 | W54 I56 Y62 F63 L64 F74 | L48-W54 HydrophobicContact CD1-CD2 4Å; L48-W54 HydrophobicContact CD1-CE3 4.32Å; L48-W54 HydrophobicContact CD1-CG 4.12Å; L48-I56 HydrophobicContact CD1-CD1 3.65Å; L48-Y62 HydrophobicContact CD1-CD1 4.24Å; L48-Y62 HydrophobicContact CD1-CG 4.07Å; L48-Y62 HydrophobicContact CD2-CD1 3.9Å; L48-Y62 HydrophobicContact CG-CD1 4.16Å; L48-Y62 HydrophobicContact CG-CG 4.4Å; L48-F63 PolarHBondContact N-O 2.81Å; L48-L64 HydrophobicContact CB-CB 4.42Å; L48-F74 HydrophobicContact CD1-CE1 4.37Å; L48-F74 HydrophobicContact CD1-CZ 3.96Å | ||
| 49 | K | 96.1 | Very high | 96.8 | Very high | 122 Ų | 122 | 85.2 Ų | 85.2 | 53% | 0.53 | 45% | 0.453 | S | S | . | . | trans | -94.9 | 130.4 | 171.5 | -57.4 | -162.7 | -155 | 142.4 | 0 | 110.4 | T51 E52 W54 | K49-T51 PolarHBondContact O-N 3.33Å; K49-T51 VanDerWaalsContact O-N 3.08Å; K49-E52 HydrophobicContact CB-CB 4.28Å; K49-E52 HydrophobicContact CB-CG 4Å; K49-E52 HydrophobicContact CD-CG 4.49Å; K49-E52 VanDerWaalsContact CD-OE1 3.3Å; K49-E52 WeakPolarHBondContact CD-OE1 3.46Å; K49-E52 WeakPolarHBondContact CE-OE1 3.44Å; K49-E52 IonicContact NZ-OE1 2.74Å; K49-E52 PolarHBondContact NZ-OE1 3.43Å; K49-E52 PolarHBondContact O-N 3.49Å; K49-E52 VanDerWaalsContact O-N 3.12Å; K49-W54 PolarHBondContact O-NE1 3.02Å | ||
| 50 | E | 93 | Very high | 96.7 | Very high | 96 Ų | 96 | 84.5 Ų | 84.5 | 45% | 0.449 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -23.4 | -179.7 | -167.3 | 173.5 | -170.8 | 0 | 0 | 113.5 | R66 | E50-R66 VanDerWaalsContact OE1-CD 3.32Å; E50-R66 WeakPolarHBondContact OE1-CD 3.47Å; E50-R66 IonicContact OE1-CZ 3.88Å; E50-R66 IonicContact OE1-NH1 2.96Å; E50-R66 PolarHBondContact OE1-NH1 2.99Å; E50-R66 WeakPolarHBondContact OE2-CD 3.43Å |
| 51 | T | 94.3 | Very high | 96.7 | Very high | 133 Ų | 133 | 87 Ų | 87 | 82% | 0.816 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -3.6 | -177.5 | 57.8 | 0 | 0 | 0 | 0 | 114.5 | K49 | K49-T51 PolarHBondContact O-N 3.33Å; K49-T51 VanDerWaalsContact O-N 3.08Å |
| 52 | E | 94.7 | Very high | 96.7 | Very high | 99 Ų | 99 | 83.1 Ų | 83.1 | 46% | 0.463 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -107.3 | 152.6 | -177.2 | -68.2 | 175.2 | 179.6 | 0 | 0 | 110.3 | K49 W54 | K49-E52 HydrophobicContact CB-CB 4.28Å; K49-E52 HydrophobicContact CB-CG 4Å; K49-E52 HydrophobicContact CD-CG 4.49Å; K49-E52 VanDerWaalsContact CD-OE1 3.3Å; K49-E52 WeakPolarHBondContact CD-OE1 3.46Å; K49-E52 WeakPolarHBondContact CE-OE1 3.44Å; K49-E52 IonicContact NZ-OE1 2.74Å; K49-E52 PolarHBondContact NZ-OE1 3.43Å; K49-E52 PolarHBondContact O-N 3.49Å; K49-E52 VanDerWaalsContact O-N 3.12Å; E52-W54 PolarHBondContact O-NE1 3.46Å |
| 53 | G | 94.5 | Very high | 96.7 | Very high | 83 Ų | 83 | 75.8 Ų | 75.8 | 86% | 0.856 | 41% | 0.411 | S | S | * | . | trans | -64.7 | 136.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 54 | W | 95.9 | Very high | 96.7 | Very high | 115 Ų | 115 | 74.1 Ų | 74.1 | 44% | 0.436 | 40% | 0.395 | S | S | . | . | trans | -103.2 | 130.3 | -179.1 | -56.4 | -17.6 | 0 | 0 | 0 | 111.2 | L48 K49 E52 I56 L64 | L48-W54 HydrophobicContact CD1-CD2 4Å; L48-W54 HydrophobicContact CD1-CE3 4.32Å; L48-W54 HydrophobicContact CD1-CG 4.12Å; K49-W54 PolarHBondContact O-NE1 3.02Å; E52-W54 PolarHBondContact O-NE1 3.46Å; W54-I56 HydrophobicContact CB-CD1 3.9Å; W54-I56 HydrophobicContact CB-CG1 4.05Å; W54-L64 HydrophobicContact CH2-CD1 3.64Å; W54-L64 HydrophobicContact CZ2-CD1 3.73Å | ||
| 55 | D | 93.9 | Very high | 96.7 | Very high | 118 Ų | 118 | 73.2 Ų | 73.2 | 63% | 0.631 | 38% | 0.378 | S | S | * | . | trans | -102.4 | 106.4 | 163.9 | -177 | 24.5 | 0 | 0 | 0 | 109 | R46 | R46-D55 PolarHBondContact NH2-O 3.35Š| ||
| 56 | I | 95.6 | Very high | 96.6 | Very high | 54 Ų | 54 | 78.8 Ų | 78.8 | 28% | 0.277 | 40% | 0.398 | S | S | . | . | trans | -103.8 | 103.4 | -173.3 | -57.3 | -58.1 | 0 | 0 | 0 | 109.2 | L48 W54 Y62 F74 V76 | L48-I56 HydrophobicContact CD1-CD1 3.65Å; W54-I56 HydrophobicContact CB-CD1 3.9Å; W54-I56 HydrophobicContact CB-CG1 4.05Å; I56-Y62 HydrophobicContact CD1-CD2 4.03Å; I56-Y62 HydrophobicContact CD1-CE2 4.14Å; I56-Y62 HydrophobicContact CD1-CG 4.25Å; I56-Y62 HydrophobicContact CG2-CD2 4.3Å; I56-Y62 HydrophobicContact CG2-CE2 3.94Å; I56-F74 HydrophobicContact CD1-CE2 4.16Å; I56-F74 HydrophobicContact CD1-CZ 3.95Å; I56-F74 HydrophobicContact CG2-CE2 4.07Å; I56-V76 HydrophobicContact CG2-CG2 3.55Å | ||
| 57 | V | 95.5 | Very high | 96.5 | Very high | 60 Ų | 60 | 78.7 Ų | 78.7 | 36% | 0.364 | 41% | 0.407 | S | S | . | . | trans | -97.4 | 142 | -177 | -173 | 0 | 0 | 0 | 0 | 111.3 | N60 Y62 | V57-N60 WeakPolarHBondContact O-CB 3.24Å; V57-Y62 PolarHBondContact N-OH 2.94Å | ||
| 58 | P | 96.5 | Very high | 96.3 | Very high | 47 Ų | 47 | 78.9 Ų | 78.9 | 31% | 0.305 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 158 | 167.3 | -27.5 | 36.4 | 0 | 0 | 0 | 113.7 | N60 | P58-N60 PolarHBondContact O-N 3.28Å; P58-N60 PolarHBondContact O-ND2 3.18Å |
| 59 | E | 97.3 | Very high | 96.2 | Very high | 160 Ų | 160 | 79.9 Ų | 79.9 | 75% | 0.748 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 6.7 | -178.5 | -53 | -168.4 | 152.4 | 0 | 0 | 115.3 | V76 G78 | E59-V76 WeakPolarHBondContact CA-O 3.46Å; E59-V76 PolarHBondContact N-O 2.68Å; E59-G78 VanDerWaalsContact CG-CA 3.47Å |
| 60 | N | 97.9 | Very high | 96.3 | Very high | 69 Ų | 69 | 77.4 Ų | 77.4 | 37% | 0.369 | 42% | 0.422 | S | S | . | . | trans | -108 | 165.1 | 177.8 | -73.2 | -93.4 | 0 | 0 | 0 | 111.8 | V57 P58 Y62 V76 | V57-N60 WeakPolarHBondContact O-CB 3.24Å; P58-N60 PolarHBondContact O-N 3.28Å; P58-N60 PolarHBondContact O-ND2 3.18Å; N60-Y62 HydrophobicContact CB-CE1 4.24Å; N60-Y62 HydrophobicContact CB-CE2 3.66Å; N60-Y62 VanDerWaalsContact CB-CZ 3.43Å; N60-Y62 WeakPolarHBondContact CB-OH 3.38Å; N60-V76 PolarHBondContact O-N 2.74Å | ||
| 61 | K | 98.5 | Very high | 96.6 | Very high | 82 Ų | 82 | 75.2 Ų | 75.2 | 36% | 0.357 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 130.9 | -172.5 | -69.4 | 179.7 | -75.1 | 172.8 | 0 | 109.8 | A43 F45 R46 A75 | A43-K61 PolarHBondContact O-NZ 3.19Å; F45-K61 WeakPolarHBondContact CA-O 3.46Å; F45-K61 HydrophobicContact CB-CB 4.34Å; F45-K61 HydrophobicContact CD1-CB 3.59Å; F45-K61 HydrophobicContact CD2-CB 4Å; F45-K61 HydrophobicContact CD2-CD 4.14Å; F45-K61 HydrophobicContact CE1-CB 3.75Å; F45-K61 HydrophobicContact CE1-CD 4.44Å; F45-K61 HydrophobicContact CE1-CG 4.25Å; F45-K61 HydrophobicContact CE2-CB 4.16Å; F45-K61 HydrophobicContact CE2-CD 3.7Å; F45-K61 HydrophobicContact CE2-CG 4.36Å; F45-K61 HydrophobicContact CG-CB 3.71Å; F45-K61 HydrophobicContact CZ-CB 4.03Å; F45-K61 HydrophobicContact CZ-CD 3.85Å; F45-K61 HydrophobicContact CZ-CG 4.14Å; R46-K61 PolarHBondContact N-O 2.83Å; K61-A75 HydrophobicContact CD-CB 4.4Å; K61-A75 HydrophobicContact CG-CB 3.77Å |
| 62 | Y | 98.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 73.8 Ų | 73.8 | 0% | 0.004 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 152.6 | -172 | -53.2 | -74.3 | 0 | 0 | 0 | 111.8 | F45 R46 L48 I56 V57 N60 A73 F74 V76 | F45-Y62 WeakPolarHBondContact CD1-O 3.3Å; R46-Y62 HydrophobicContact CB-CD1 4.04Å; R46-Y62 HydrophobicContact CB-CE1 4.37Å; R46-Y62 VanDerWaalsContact NH2-CE1 3.28Å; R46-Y62 CarbonylContact O-C 3.49Å; R46-Y62 VanDerWaalsContact O-CA 3.25Å; R46-Y62 WeakPolarHBondContact O-CA 3.48Å; L48-Y62 HydrophobicContact CD1-CD1 4.24Å; L48-Y62 HydrophobicContact CD1-CG 4.07Å; L48-Y62 HydrophobicContact CD2-CD1 3.9Å; L48-Y62 HydrophobicContact CG-CD1 4.16Å; L48-Y62 HydrophobicContact CG-CG 4.4Å; I56-Y62 HydrophobicContact CD1-CD2 4.03Å; I56-Y62 HydrophobicContact CD1-CE2 4.14Å; I56-Y62 HydrophobicContact CD1-CG 4.25Å; I56-Y62 HydrophobicContact CG2-CD2 4.3Å; I56-Y62 HydrophobicContact CG2-CE2 3.94Å; V57-Y62 PolarHBondContact N-OH 2.94Å; N60-Y62 HydrophobicContact CB-CE1 4.24Å; N60-Y62 HydrophobicContact CB-CE2 3.66Å; N60-Y62 VanDerWaalsContact CB-CZ 3.43Å; N60-Y62 WeakPolarHBondContact CB-OH 3.38Å; Y62-A73 WeakPolarHBondContact O-CA 3.47Å; Y62-F74 HydrophobicContact CD2-CD2 4.18Å; Y62-F74 AromaticContact CD2-CE2 3.53Å; Y62-F74 HydrophobicContact CD2-CE2 3.53Å; Y62-F74 HydrophobicContact CD2-CZ 4.02Å; Y62-F74 HydrophobicContact CG-CE2 4.09Å; Y62-F74 HydrophobicContact CG-CZ 4.13Å; Y62-F74 PolarHBondContact N-O 3.14Å; Y62-F74 PolarHBondContact O-N 3.2Å; Y62-F74 VanDerWaalsContact O-O 3.14Å; Y62-V76 HydrophobicContact CD2-CG2 3.96Å; Y62-V76 HydrophobicContact CE2-CG2 3.78Å |
| 63 | F | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 160.8 | 165.9 | 76.7 | -82.4 | 0 | 0 | 0 | 110.9 | R37 L40 L41 F45 R46 E47 L48 T65 I71 I72 A73 | R37-F63 HydrophobicContact CB-CE2 4.12Å; R37-F63 HydrophobicContact CB-CZ 4.44Å; R37-F63 HydrophobicContact CG-CE2 3.7Å; R37-F63 HydrophobicContact CG-CZ 3.7Å; L40-F63 HydrophobicContact CB-CD1 4.02Å; L40-F63 HydrophobicContact CB-CE1 4.28Å; L40-F63 HydrophobicContact CB-CG 4.4Å; L40-F63 HydrophobicContact CD1-CB 3.89Å; L40-F63 HydrophobicContact CD1-CD1 4.35Å; L40-F63 HydrophobicContact CD1-CD2 4.24Å; L40-F63 HydrophobicContact CD1-CG 3.9Å; L41-F63 HydrophobicContact CD2-CE1 3.85Å; L41-F63 HydrophobicContact CD2-CZ 4.08Å; L41-F63 HydrophobicContact CG-CE1 4.05Å; L41-F63 HydrophobicContact CG-CZ 4.07Å; F45-F63 HydrophobicContact CB-CD1 3.8Å; F45-F63 HydrophobicContact CB-CE1 4.39Å; R46-F63 PolarHBondContact O-N 2.92Å; E47-F63 CarbonylContact C-O 3.59Å; E47-F63 WeakPolarHBondContact CA-O 3.48Å; E47-F63 HydrophobicContact CB-CD1 4.43Å; E47-F63 HydrophobicContact CB-CE1 3.68Å; E47-F63 HydrophobicContact CB-CE2 4.02Å; E47-F63 HydrophobicContact CB-CZ 3.43Å; E47-F63 VanDerWaalsContact CB-CZ 3.43Å; E47-F63 HydrophobicContact CG-CD2 4.36Å; E47-F63 HydrophobicContact CG-CE1 4.25Å; E47-F63 HydrophobicContact CG-CE2 3.64Å; E47-F63 HydrophobicContact CG-CZ 3.57Å; L48-F63 PolarHBondContact N-O 2.81Å; F63-T65 HydrophobicContact CE2-CG2 4.49Å; F63-I71 HydrophobicContact CD2-CD1 3.88Å; F63-I71 HydrophobicContact CD2-CG1 4.21Å; F63-I71 HydrophobicContact CE2-CD1 4.44Å; F63-I72 CarbonylContact C-O 3.55Å; F63-I72 WeakPolarHBondContact CA-O 3.24Å; F63-I72 VanDerWaalsContact CB-O 3.28Å; F63-I72 WeakPolarHBondContact CB-O 3.37Å; F63-A73 HydrophobicContact CB-CB 3.84Å |
| 64 | L | 98.4 | Very high | 97.1 | Very high | 16 Ų | 16 | 70.5 Ų | 70.5 | 8% | 0.084 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 160.1 | 170.3 | 69 | 160.2 | 0 | 0 | 0 | 109.8 | L48 W54 I71 I72 F74 | L48-L64 HydrophobicContact CB-CB 4.42Å; W54-L64 HydrophobicContact CH2-CD1 3.64Å; W54-L64 HydrophobicContact CZ2-CD1 3.73Å; L64-I71 WeakPolarHBondContact O-CA 3.3Å; L64-I71 WeakPolarHBondContact O-CG1 3.37Å; L64-I72 HydrophobicContact CD2-CB 3.83Å; L64-I72 HydrophobicContact CD2-CG2 4.2Å; L64-I72 PolarHBondContact N-O 2.81Å; L64-I72 PolarHBondContact O-N 2.83Å; L64-F74 HydrophobicContact CD2-CE1 4.32Å |
| 65 | T | 98.1 | Very high | 97.2 | Very high | 35 Ų | 35 | 68.3 Ų | 68.3 | 22% | 0.215 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 148.4 | 172.7 | 67.1 | 0 | 0 | 0 | 0 | 110.2 | V33 F63 S70 I71 | V33-T65 HydrophobicContact CG1-CG2 3.56Å; F63-T65 HydrophobicContact CE2-CG2 4.49Å; T65-S70 CarbonylContact C-O 3.58Å; T65-S70 VanDerWaalsContact CA-O 3.24Å; T65-S70 WeakPolarHBondContact CA-O 3.5Å; T65-S70 WeakPolarHBondContact CB-O 3.41Å; T65-I71 HydrophobicContact CG2-CB 4.27Å; T65-I71 HydrophobicContact CG2-CD1 4.08Å; T65-I71 HydrophobicContact CG2-CG1 3.99Å |
| 66 | R | 97.1 | Very high | 97.4 | Very high | 154 Ų | 154 | 63.3 Ų | 63.3 | 58% | 0.581 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123 | 129.4 | 170.5 | -176.1 | 150 | 67.5 | -171.1 | 4.1 | 109.6 | E50 S68 S69 S70 | E50-R66 VanDerWaalsContact OE1-CD 3.32Å; E50-R66 WeakPolarHBondContact OE1-CD 3.47Å; E50-R66 IonicContact OE1-CZ 3.88Å; E50-R66 IonicContact OE1-NH1 2.96Å; E50-R66 PolarHBondContact OE1-NH1 2.99Å; E50-R66 WeakPolarHBondContact OE2-CD 3.43Å; R66-S68 PolarHBondContact O-N 2.97Å; R66-S69 PolarHBondContact O-N 2.84Å; R66-S70 PolarHBondContact N-O 3.15Å; R66-S70 PolarHBondContact O-N 2.95Å; R66-S70 VanDerWaalsContact O-N 3.14Å |
| 67 | N | 95.1 | Very high | 97.4 | Very high | 127 Ų | 127 | 63 Ų | 63 | 68% | 0.679 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 22.3 | -175.9 | -168.8 | 34.7 | 0 | 0 | 0 | 113.8 | S69 | N67-S69 PolarHBondContact ND2-OG 2.97Å; N67-S69 PolarHBondContact O-N 3.22Å; N67-S69 PolarHBondContact O-OG 2.94Å |
| 68 | S | 94.6 | Very high | 97.4 | Very high | 69 Ų | 69 | 61.6 Ų | 61.6 | 48% | 0.483 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 13.1 | -173.2 | -54.5 | 0 | 0 | 0 | 0 | 115.9 | F30 V33 R66 | F30-S68 WeakPolarHBondContact CA-O 3.47Å; F30-S68 WeakPolarHBondContact CD1-O 3.47Å; V33-S68 WeakPolarHBondContact CB-O 3.5Å; R66-S68 PolarHBondContact O-N 2.97Å |
| 69 | S | 96.6 | Very high | 97.3 | Very high | 37 Ų | 37 | 67.8 Ų | 67.8 | 26% | 0.259 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.4 | -4 | -176.1 | 50.4 | 0 | 0 | 0 | 0 | 112.4 | R66 N67 | R66-S69 PolarHBondContact O-N 2.84Å; N67-S69 PolarHBondContact ND2-OG 2.97Å; N67-S69 PolarHBondContact O-N 3.22Å; N67-S69 PolarHBondContact O-OG 2.94Å |
| 70 | S | 97.8 | Very high | 97.2 | Very high | 71 Ų | 71 | 66.1 Ų | 66.1 | 50% | 0.497 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 144.5 | 167.3 | -64.5 | 0 | 0 | 0 | 0 | 109.7 | T65 R66 | T65-S70 CarbonylContact C-O 3.58Å; T65-S70 VanDerWaalsContact CA-O 3.24Å; T65-S70 WeakPolarHBondContact CA-O 3.5Å; T65-S70 WeakPolarHBondContact CB-O 3.41Å; R66-S70 PolarHBondContact N-O 3.15Å; R66-S70 PolarHBondContact O-N 2.95Å; R66-S70 VanDerWaalsContact O-N 3.14Å |
| 71 | I | 98.5 | Very high | 96.8 | Very high | 50 Ų | 50 | 67.1 Ų | 67.1 | 26% | 0.256 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 137.3 | 177.1 | -169.9 | 165.5 | 0 | 0 | 0 | 109.7 | V33 C36 R37 L40 F63 L64 T65 | V33-I71 HydrophobicContact CG1-CB 4.22Å; V33-I71 HydrophobicContact CG1-CD1 4.5Å; V33-I71 HydrophobicContact CG2-CB 4.23Å; V33-I71 HydrophobicContact CG2-CG2 4.24Å; C36-I71 HydrophobicContact CB-CD1 3.86Å; C36-I71 HydrophobicContact CB-CG2 4.25Å; R37-I71 HydrophobicContact CB-CD1 4.45Å; L40-I71 HydrophobicContact CD1-CD1 3.56Å; L40-I71 HydrophobicContact CD1-CG1 4.32Å; F63-I71 HydrophobicContact CD2-CD1 3.88Å; F63-I71 HydrophobicContact CD2-CG1 4.21Å; F63-I71 HydrophobicContact CE2-CD1 4.44Å; L64-I71 WeakPolarHBondContact O-CA 3.3Å; L64-I71 WeakPolarHBondContact O-CG1 3.37Å; T65-I71 HydrophobicContact CG2-CB 4.27Å; T65-I71 HydrophobicContact CG2-CD1 4.08Å; T65-I71 HydrophobicContact CG2-CG1 3.99Å |
| 72 | I | 98.4 | Very high | 96.2 | Very high | 103 Ų | 103 | 68.1 Ų | 68.1 | 53% | 0.528 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 129.2 | 171.8 | -62.6 | 172.6 | 0 | 0 | 0 | 106.6 | F63 L64 F74 | F63-I72 CarbonylContact C-O 3.55Å; F63-I72 WeakPolarHBondContact CA-O 3.24Å; F63-I72 VanDerWaalsContact CB-O 3.28Å; F63-I72 WeakPolarHBondContact CB-O 3.37Å; L64-I72 HydrophobicContact CD2-CB 3.83Å; L64-I72 HydrophobicContact CD2-CG2 4.2Å; L64-I72 PolarHBondContact N-O 2.81Å; L64-I72 PolarHBondContact O-N 2.83Å; I72-F74 HydrophobicContact CG2-CD1 4.37Å |
| 73 | A | 98.5 | Very high | 95.5 | Very high | 50 Ų | 50 | 72 Ų | 72 | 41% | 0.413 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 137.6 | 175 | 0 | 0 | 0 | 0 | 0 | 109.4 | L40 F45 Y62 F63 | L40-A73 HydrophobicContact CD1-CB 3.78Å; L40-A73 HydrophobicContact CD2-CB 3.71Å; L40-A73 HydrophobicContact CG-CB 4.42Å; F45-A73 HydrophobicContact CD1-CB 4.43Å; F45-A73 HydrophobicContact CE1-CB 4.19Å; Y62-A73 WeakPolarHBondContact O-CA 3.47Å; F63-A73 HydrophobicContact CB-CB 3.84Å |
| 74 | F | 98.3 | Very high | 93.9 | Very high | 62 Ų | 62 | 79 Ų | 79 | 27% | 0.272 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 147.3 | -179.2 | 59.7 | -84.6 | 0 | 0 | 0 | 111.3 | L48 I56 Y62 L64 I72 V76 | L48-F74 HydrophobicContact CD1-CE1 4.37Å; L48-F74 HydrophobicContact CD1-CZ 3.96Å; I56-F74 HydrophobicContact CD1-CE2 4.16Å; I56-F74 HydrophobicContact CD1-CZ 3.95Å; I56-F74 HydrophobicContact CG2-CE2 4.07Å; Y62-F74 HydrophobicContact CD2-CD2 4.18Å; Y62-F74 AromaticContact CD2-CE2 3.53Å; Y62-F74 HydrophobicContact CD2-CE2 3.53Å; Y62-F74 HydrophobicContact CD2-CZ 4.02Å; Y62-F74 HydrophobicContact CG-CE2 4.09Å; Y62-F74 HydrophobicContact CG-CZ 4.13Å; Y62-F74 PolarHBondContact N-O 3.14Å; Y62-F74 PolarHBondContact O-N 3.2Å; Y62-F74 VanDerWaalsContact O-O 3.14Å; L64-F74 HydrophobicContact CD2-CE1 4.32Å; I72-F74 HydrophobicContact CG2-CD1 4.37Å; F74-V76 HydrophobicContact CD2-CG2 4.05Å; F74-V76 HydrophobicContact CE2-CG2 4.11Å |
| 75 | A | 98.1 | Very high | 91.9 | Very high | 69 Ų | 69 | 85.1 Ų | 85.1 | 57% | 0.57 | 54% | 0.538 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 124.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 108 | K61 G77 | K61-A75 HydrophobicContact CD-CB 4.4Å; K61-A75 HydrophobicContact CG-CB 3.77Å; A75-G77 PolarHBondContact O-N 3.12Å |
| 76 | V | 97.1 | Very high | 91.6 | Very high | 14 Ų | 14 | 87.6 Ų | 87.6 | 9% | 0.085 | 55% | 0.554 | C | S | . | * | trans | -84.9 | 116.1 | -177.6 | -169.1 | 0 | 0 | 0 | 0 | 108.3 | I56 E59 N60 Y62 F74 Y80 | I56-V76 HydrophobicContact CG2-CG2 3.55Å; E59-V76 WeakPolarHBondContact CA-O 3.46Å; E59-V76 PolarHBondContact N-O 2.68Å; N60-V76 PolarHBondContact O-N 2.74Å; Y62-V76 HydrophobicContact CD2-CG2 3.96Å; Y62-V76 HydrophobicContact CE2-CG2 3.78Å; F74-V76 HydrophobicContact CD2-CG2 4.05Å; F74-V76 HydrophobicContact CE2-CG2 4.11Å; V76-Y80 HydrophobicContact CG1-CD1 3.59Å; V76-Y80 HydrophobicContact CG1-CE1 4.47Å; V76-Y80 HydrophobicContact CG1-CG 3.84Å | ||
| 77 | G | 96.3 | Very high | 91.3 | Very high | 46 Ų | 46 | 84.1 Ų | 84.1 | 47% | 0.474 | 55% | 0.553 | S | S | . | * | trans | -59.3 | 143.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | A75 Q79 Y80 | A75-G77 PolarHBondContact O-N 3.12Å; G77-Q79 PolarHBondContact O-N 3.08Å; G77-Q79 VanDerWaalsContact O-N 3.08Å; G77-Y80 WeakPolarHBondContact O-CB 3.32Å; G77-Y80 PolarHBondContact O-N 2.99Å | ||
| 78 | G | 95.8 | Very high | 91.1 | Very high | 31 Ų | 31 | 81.7 Ų | 81.7 | 32% | 0.32 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -18.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115 | E59 | E59-G78 VanDerWaalsContact CG-CA 3.47Š|
| 79 | Q | 94.3 | Very high | 90.9 | Very high | 177 Ų | 177 | 82.5 Ų | 82.5 | 83% | 0.827 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.4 | 12.1 | 176.9 | -57.9 | -60.2 | -72.7 | 0 | 0 | 112.6 | G77 V81 | G77-Q79 PolarHBondContact O-N 3.08Å; G77-Q79 VanDerWaalsContact O-N 3.08Å; Q79-V81 PolarHBondContact O-N 2.96Å |
| 80 | Y | 93.7 | Very high | 90.6 | Very high | 125 Ų | 125 | 85.3 Ų | 85.3 | 49% | 0.49 | 57% | 0.567 | S | S | . | * | trans | -65 | 130.4 | 175.5 | 172.3 | -103 | 0 | 0 | 0 | 110.3 | V76 G77 P82 | V76-Y80 HydrophobicContact CG1-CD1 3.59Å; V76-Y80 HydrophobicContact CG1-CE1 4.47Å; V76-Y80 HydrophobicContact CG1-CG 3.84Å; G77-Y80 WeakPolarHBondContact O-CB 3.32Å; G77-Y80 PolarHBondContact O-N 2.99Å; Y80-P82 HydrophobicContact CE1-CG 4.32Å | ||
| 81 | V | 89.7 | Confident | 90.1 | Very high | 90 Ų | 90 | 86.3 Ų | 86.3 | 55% | 0.545 | 57% | 0.572 | S | S | . | * | trans | -130.4 | 133.8 | 172.1 | -178.2 | 0 | 0 | 0 | 0 | 107.6 | Q79 G83 N84 | Q79-V81 PolarHBondContact O-N 2.96Å; V81-G83 PolarHBondContact O-N 3.37Å; V81-N84 PolarHBondContact O-N 3.15Å | ||
| 82 | P | 87.5 | Confident | 89.5 | Confident | 103 Ų | 103 | 88.9 Ų | 88.9 | 67% | 0.669 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54 | 137.2 | 175.4 | -26.2 | 34.8 | 0 | 0 | 0 | 112.2 | Y80 | Y80-P82 HydrophobicContact CE1-CG 4.32Š|
| 83 | G | 82.4 | Confident | 88.8 | Confident | 83 Ų | 83 | 87.8 Ų | 87.8 | 86% | 0.856 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 87.8 | 0.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | V81 G85 | V81-G83 PolarHBondContact O-N 3.37Å; G83-G85 VanDerWaalsContact C-N 3.34Å |
| 84 | N | 66.4 | Low | 88 | Confident | 146 Ų | 146 | 90.9 Ų | 90.9 | 78% | 0.781 | 62% | 0.615 | S | S | * | * | trans | -97.6 | 36.4 | 175.3 | -163.3 | 36.2 | 0 | 0 | 0 | 113 | V81 | V81-N84 PolarHBondContact O-N 3.15Š| ||
| 85 | G | 56.3 | Low | 87 | Confident | 145 Ų | 145 | 93.5 Ų | 93.5 | 100% | 1.495 | 65% | 0.647 | S | S | * | * | trans | -116.3 | 0 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G83 | G83-G85 VanDerWaalsContact C-N 3.34Š|
Retrieved 85 of 85 residues in 60.5 ms
(Link to these results)