| 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 | 43.3 | Very low | 39.3 | Very low | 221 Ų | 221 | 133 Ų | 133 | 100% | 1.089 | 69% | 0.693 | S | S | * | * | 0 | -37.4 | 0 | -98.4 | 173.4 | 167.3 | 0 | 0 | 114.7 | S3 V4 | M1-S3 VanDerWaalsContact C-N 3.29Å; M1-S3 PolarHBondContact O-N 3.01Å; M1-V4 PolarHBondContact O-N 2.73Å | |||
| 2 | R | 41.9 | Very low | 38.6 | Very low | 237 Ų | 237 | 134.3 Ų | 134.3 | 89% | 0.894 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -63.5 | -24 | -177.7 | -72.3 | -173.1 | 176.7 | -163.3 | -1.2 | 116.1 | ||
| 3 | S | 45.9 | Very low | 38.1 | Very low | 104 Ų | 104 | 130.8 Ų | 130.8 | 73% | 0.727 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -80.7 | -21.4 | -177.1 | -162.6 | 0 | 0 | 0 | 0 | 114.7 | M1 | M1-S3 VanDerWaalsContact C-N 3.29Å; M1-S3 PolarHBondContact O-N 3.01Å |
| 4 | V | 43.7 | Very low | 37.7 | Very low | 99 Ų | 99 | 132.6 Ų | 132.6 | 60% | 0.6 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -86.5 | -28 | -175 | -178.5 | 0 | 0 | 0 | 0 | 111.3 | M1 L7 L8 | M1-V4 PolarHBondContact O-N 2.73Å; V4-L7 PolarHBondContact O-N 3.34Å; V4-L8 HydrophobicContact CG1-CD1 4.4Å |
| 5 | V | 44.2 | Very low | 37.7 | Very low | 88 Ų | 88 | 133.2 Ų | 133.2 | 53% | 0.533 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -72 | -34.2 | -178.5 | -177.6 | 0 | 0 | 0 | 0 | 111.9 | L7 L8 L9 | V5-L7 VanDerWaalsContact C-N 3.35Å; V5-L7 PolarHBondContact O-N 3.49Å; V5-L8 PolarHBondContact O-N 3.47Å; V5-L9 HydrophobicContact CG1-CD1 4.02Å; V5-L9 WeakPolarHBondContact O-CD1 3.4Å; V5-L9 PolarHBondContact O-N 3.09Å |
| 6 | S | 40.6 | Very low | 37.6 | Very low | 86 Ų | 86 | 129.9 Ų | 129.9 | 60% | 0.601 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -69.6 | -28.7 | 178.3 | -74.2 | 0 | 0 | 0 | 0 | 113.8 | F10 | S6-F10 PolarHBondContact O-N 3.27Å |
| 7 | L | 36 | Very low | 37.9 | Very low | 134 Ų | 134 | 133.4 Ų | 133.4 | 70% | 0.702 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -75.3 | -34.3 | 179.1 | -131.2 | 82 | 0 | 0 | 0 | 112 | V4 V5 F10 | V4-L7 PolarHBondContact O-N 3.34Å; V5-L7 VanDerWaalsContact C-N 3.35Å; V5-L7 PolarHBondContact O-N 3.49Å; L7-F10 PolarHBondContact O-N 2.86Å |
| 8 | L | 37.8 | Very low | 38.5 | Very low | 118 Ų | 118 | 128.1 Ų | 128.1 | 62% | 0.618 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -70.9 | -33.3 | 177.3 | -82.1 | 155 | 0 | 0 | 0 | 112.6 | V4 V5 | V4-L8 HydrophobicContact CG1-CD1 4.4Å; V5-L8 PolarHBondContact O-N 3.47Å |
| 9 | L | 34.2 | Very low | 39.6 | Very low | 98 Ų | 98 | 123.5 Ų | 123.5 | 51% | 0.513 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -70.4 | -32 | 173.9 | -95.6 | 105.5 | 0 | 0 | 0 | 112.9 | V5 N11 F12 I13 | V5-L9 HydrophobicContact CG1-CD1 4.02Å; V5-L9 WeakPolarHBondContact O-CD1 3.4Å; V5-L9 PolarHBondContact O-N 3.09Å; L9-N11 VanDerWaalsContact C-N 3.35Å; L9-N11 PolarHBondContact O-N 3.35Å; L9-F12 PolarHBondContact O-N 3.46Å; L9-I13 VanDerWaalsContact O-CG1 3.3Å; L9-I13 WeakPolarHBondContact O-CG1 3.4Å; L9-I13 PolarHBondContact O-N 3.02Å; L9-I13 VanDerWaalsContact O-N 3.12Å |
| 10 | F | 32.7 | Very low | 40.8 | Very low | 152 Ų | 152 | 120.1 Ų | 120.1 | 67% | 0.667 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -68.6 | -35 | -176.7 | -137.1 | -91.9 | 0 | 0 | 0 | 112.5 | S6 L7 | S6-F10 PolarHBondContact O-N 3.27Å; L7-F10 PolarHBondContact O-N 2.86Å |
| 11 | N | 31.8 | Very low | 42.8 | Very low | 126 Ų | 126 | 116.3 Ų | 116.3 | 67% | 0.674 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -74.2 | -27.6 | 174.7 | -80.2 | -15.2 | 0 | 0 | 0 | 113.3 | L9 | L9-N11 VanDerWaalsContact C-N 3.35Å; L9-N11 PolarHBondContact O-N 3.35Å |
| 12 | F | 31.2 | Very low | 44.9 | Very low | 148 Ų | 148 | 109.6 Ų | 109.6 | 65% | 0.649 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -76.8 | -31.2 | 176.6 | -104.9 | -87.3 | 0 | 0 | 0 | 113.3 | L9 Q15 S16 | L9-F12 PolarHBondContact O-N 3.46Å; F12-Q15 PolarHBondContact O-N 3.29Å; F12-S16 PolarHBondContact O-N 3.18Å |
| 13 | I | 32.3 | Very low | 47.2 | Very low | 90 Ų | 90 | 101 Ų | 101 | 46% | 0.462 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -74.8 | -30.1 | -176.9 | -65.3 | 165.5 | 0 | 0 | 0 | 112.1 | L9 Q15 S16 | L9-I13 VanDerWaalsContact O-CG1 3.3Å; L9-I13 WeakPolarHBondContact O-CG1 3.4Å; L9-I13 PolarHBondContact O-N 3.02Å; L9-I13 VanDerWaalsContact O-N 3.12Å; I13-Q15 VanDerWaalsContact C-N 3.27Å; I13-Q15 PolarHBondContact O-N 3.08Å; I13-S16 PolarHBondContact O-N 3.31Å; I13-S16 PolarHBondContact O-OG 3.11Å; I13-S16 VanDerWaalsContact O-OG 3.05Å |
| 14 | M | 32.4 | Very low | 49.1 | Very low | 155 Ų | 155 | 105.2 Ų | 105.2 | 76% | 0.764 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.9 | -29.9 | 171.9 | -88 | -89.1 | -170.3 | 0 | 0 | 112.2 | ||
| 15 | Q | 37 | Very low | 51.5 | Low | 142 Ų | 142 | 105.6 Ų | 105.6 | 66% | 0.664 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -76.9 | -20.6 | 174.6 | -77.5 | -175.5 | -9 | 0 | 0 | 113.6 | F12 I13 F17 G18 | F12-Q15 PolarHBondContact O-N 3.29Å; I13-Q15 VanDerWaalsContact C-N 3.27Å; I13-Q15 PolarHBondContact O-N 3.08Å; Q15-F17 PolarHBondContact O-N 3.44Å; Q15-G18 VanDerWaalsContact O-O 3.09Å |
| 16 | S | 36.8 | Very low | 53.9 | Low | 81 Ų | 81 | 101.4 Ų | 101.4 | 57% | 0.566 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -80.6 | -13.9 | -176.9 | 67.6 | 0 | 0 | 0 | 0 | 114.5 | F12 I13 | F12-S16 PolarHBondContact O-N 3.18Å; I13-S16 PolarHBondContact O-N 3.31Å; I13-S16 PolarHBondContact O-OG 3.11Å; I13-S16 VanDerWaalsContact O-OG 3.05Å |
| 17 | F | 43.4 | Very low | 56.4 | Low | 188 Ų | 188 | 102.1 Ų | 102.1 | 83% | 0.825 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -113.6 | -17.5 | 176.8 | -70.9 | -77.3 | 0 | 0 | 0 | 114.2 | Q15 | Q15-F17 PolarHBondContact O-N 3.44Å |
| 18 | G | 48.1 | Very low | 59.3 | Low | 38 Ų | 38 | 96.1 Ų | 96.1 | 39% | 0.392 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -84.2 | 139.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q15 | Q15-G18 VanDerWaalsContact O-O 3.09Š|
| 19 | G | 58.3 | Low | 62.1 | Low | 42 Ų | 42 | 90.5 Ų | 90.5 | 43% | 0.433 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 164.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V21 N341 | G19-V21 PolarHBondContact O-N 3.26Å; G19-V21 VanDerWaalsContact O-N 3.07Å; G19-N341 WeakPolarHBondContact CA-OD1 3.47Å; G19-N341 PolarHBondContact N-OD1 3.37Å; G19-N341 VanDerWaalsContact N-OD1 3.1Å; G19-N341 PolarHBondContact O-OD1 3.48Å; G19-N341 VanDerWaalsContact O-OD1 3.14Å |
| 20 | A | 64.8 | Low | 64.9 | Low | 54 Ų | 54 | 86.5 Ų | 86.5 | 45% | 0.446 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 117.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y23 | A20-Y23 HydrophobicContact CB-CE1 4.22Š|
| 21 | V | 81.7 | Confident | 67.8 | Low | 42 Ų | 42 | 84.9 Ų | 84.9 | 26% | 0.255 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -81.6 | -28.9 | 175 | 178.4 | 0 | 0 | 0 | 0 | 110.7 | G19 V32 R340 F351 | G19-V21 PolarHBondContact O-N 3.26Å; G19-V21 VanDerWaalsContact O-N 3.07Å; V21-V32 HydrophobicContact CG1-CB 3.96Å; V21-V32 HydrophobicContact CG1-CG1 3.75Å; V21-V32 WeakPolarHBondContact CG1-O 3.47Å; V21-V32 WeakPolarHBondContact O-CG1 3.36Å; V21-R340 PolarHBondContact O-NH1 2.7Å; V21-F351 HydrophobicContact CG1-CD1 4.14Å; V21-F351 HydrophobicContact CG1-CE1 3.98Å |
| 22 | H | 87.3 | Confident | 70.8 | Confident | 80 Ų | 80 | 79.7 Ų | 79.7 | 37% | 0.37 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -129.3 | 129.2 | 179.5 | -177.5 | -149 | 0 | 0 | 0 | 109.7 | E26 L29 V32 | H22-E26 IonicContact CD2-OE2 3.18Å; H22-E26 PolarHBondContact CD2-OE2 3.3Å; H22-E26 PolarHBondContact NE2-O 3.13Å; H22-L29 PolarHBondContact CE1-O 2.95Å; H22-L29 VanDerWaalsContact CE1-O 3.24Å; H22-L29 PolarHBondContact NE2-O 3.5Å; H22-V32 HydrophobicContact CB-CB 4.2Å; H22-V32 HydrophobicContact CB-CG2 3.96Å |
| 23 | Y | 90.1 | Very high | 73.8 | Confident | 57 Ų | 57 | 76.1 Ų | 76.1 | 22% | 0.224 | 41% | 0.409 | C | S | . | . | trans | -95.7 | 142.5 | 176.9 | -65.8 | -83.3 | 0 | 0 | 0 | 110.9 | A20 Q25 E26 D318 | A20-Y23 HydrophobicContact CB-CE1 4.22Å; Y23-Q25 PolarHBondContact O-N 3.49Å; Y23-E26 PolarHBondContact N-OE2 3.5Å; Y23-E26 WeakPolarHBondContact O-CB 3.39Å; Y23-E26 PolarHBondContact O-N 2.97Å; Y23-D318 HydrophobicContact CE2-CB 3.72Å; Y23-D318 WeakPolarHBondContact CE2-OD1 3.41Å; Y23-D318 VanDerWaalsContact CZ-OD1 3.29Å; Y23-D318 PolarHBondContact OH-OD1 3Å | ||
| 24 | E | 87.8 | Confident | 76.7 | Confident | 191 Ų | 191 | 73.1 Ų | 73.1 | 89% | 0.893 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -26.5 | -177.4 | -66.3 | -174.2 | 163.7 | 0 | 0 | 113.6 | ||
| 25 | Q | 92.8 | Very high | 79.7 | Confident | 107 Ų | 107 | 67.7 Ų | 67.7 | 50% | 0.5 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -20.3 | 177.8 | -58.2 | 90.4 | -27.7 | 0 | 0 | 113.4 | Y23 K27 Y317 | Y23-Q25 PolarHBondContact O-N 3.49Å; Q25-K27 PolarHBondContact O-N 3.46Å; Q25-Y317 HydrophobicContact CB-CD1 3.96Å; Q25-Y317 HydrophobicContact CB-CD2 3.4Å; Q25-Y317 VanDerWaalsContact CB-CD2 3.4Å; Q25-Y317 HydrophobicContact CB-CE1 4.16Å; Q25-Y317 HydrophobicContact CB-CE2 3.63Å; Q25-Y317 HydrophobicContact CB-CG 3.57Å; Q25-Y317 HydrophobicContact CG-CD1 4.41Å; Q25-Y317 HydrophobicContact CG-CG 4.35Å; Q25-Y317 VanDerWaalsContact O-CE2 3.29Å; Q25-Y317 WeakPolarHBondContact O-CE2 3.4Å |
| 26 | E | 94.4 | Very high | 82.4 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | trans | -75 | 64.9 | -179.7 | -68.9 | 177.5 | 148.1 | 0 | 0 | 110.7 | H22 Y23 N28 L29 T316 Y317 R340 | H22-E26 IonicContact CD2-OE2 3.18Å; H22-E26 PolarHBondContact CD2-OE2 3.3Å; H22-E26 PolarHBondContact NE2-O 3.13Å; Y23-E26 PolarHBondContact N-OE2 3.5Å; Y23-E26 WeakPolarHBondContact O-CB 3.39Å; Y23-E26 PolarHBondContact O-N 2.97Å; E26-N28 PolarHBondContact O-N 2.81Å; E26-L29 HydrophobicContact CB-CB 4.25Å; E26-L29 HydrophobicContact CB-CD1 4.21Å; E26-L29 HydrophobicContact CB-CG 4.32Å; E26-L29 HydrophobicContact CG-CD1 4.29Å; E26-L29 PolarHBondContact O-N 2.83Å; E26-T316 WeakPolarHBondContact OE1-CB 3Å; E26-Y317 HydrophobicContact CG-CD2 4.07Å; E26-R340 IonicContact OE1-CZ 3.03Å; E26-R340 IonicContact OE1-NH1 2.64Å; E26-R340 PolarHBondContact OE1-NH1 2.89Å; E26-R340 VanDerWaalsContact OE1-NH1 3.17Å; E26-R340 IonicContact OE1-NH2 3.07Å; E26-R340 PolarHBondContact OE1-NH2 2.97Å; E26-R340 IonicContact OE2-NH1 2.83Å; E26-R340 PolarHBondContact OE2-NH1 3.27Å | ||
| 27 | K | 93.8 | Very high | 85 | Confident | 101 Ų | 101 | 63.6 Ų | 63.6 | 44% | 0.439 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -26.6 | -174.5 | 71 | -177.9 | -179 | 178.4 | 0 | 113.1 | Q25 L29 E313 G359 V360 | Q25-K27 PolarHBondContact O-N 3.46Å; K27-L29 VanDerWaalsContact C-N 3.31Å; K27-E313 WeakPolarHBondContact CE-OE1 3.47Å; K27-E313 IonicContact NZ-OE1 3.5Å; K27-E313 PolarHBondContact NZ-OE1 2.8Å; K27-G359 CarbonylContact O-C 3.55Å; K27-G359 WeakPolarHBondContact O-CA 3.44Å; K27-V360 WeakPolarHBondContact O-CG2 3.25Å; K27-V360 PolarHBondContact O-N 3.23Å |
| 28 | N | 96.4 | Very high | 87.2 | Confident | 7 Ų | 7 | 56.4 Ų | 56.4 | 4% | 0.037 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -4.5 | -178.6 | -63.4 | 95.1 | 0 | 0 | 0 | 113.2 | E26 I315 W355 V356 E357 | E26-N28 PolarHBondContact O-N 2.81Å; N28-I315 HydrophobicContact CB-CD1 4.36Å; N28-W355 HydrophobicContact CB-CE3 4.05Å; N28-W355 HydrophobicContact CB-CH2 3.82Å; N28-W355 HydrophobicContact CB-CZ2 4.37Å; N28-W355 HydrophobicContact CB-CZ3 3.64Å; N28-V356 WeakPolarHBondContact CA-O 3.28Å; N28-V356 PolarHBondContact ND2-O 3.25Å; N28-V356 PolarHBondContact O-N 3.37Å; N28-E357 PolarHBondContact ND2-O 2.97Å |
| 29 | L | 96.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 126.2 | -177.7 | -51.5 | -175.3 | 0 | 0 | 0 | 109.5 | H22 E26 K27 V32 I315 T316 L334 F336 A353 W355 V360 | H22-L29 PolarHBondContact CE1-O 2.95Å; H22-L29 VanDerWaalsContact CE1-O 3.24Å; H22-L29 PolarHBondContact NE2-O 3.5Å; E26-L29 HydrophobicContact CB-CB 4.25Å; E26-L29 HydrophobicContact CB-CD1 4.21Å; E26-L29 HydrophobicContact CB-CG 4.32Å; E26-L29 HydrophobicContact CG-CD1 4.29Å; E26-L29 PolarHBondContact O-N 2.83Å; K27-L29 VanDerWaalsContact C-N 3.31Å; L29-V32 HydrophobicContact CB-CG2 3.87Å; L29-I315 HydrophobicContact CD1-CG2 4.46Å; L29-I315 HydrophobicContact CD2-CG2 4.15Å; L29-I315 HydrophobicContact CG-CG2 4.35Å; L29-T316 HydrophobicContact CD1-CG2 3.85Å; L29-L334 HydrophobicContact CD2-CB 4.44Å; L29-L334 HydrophobicContact CD2-CD2 3.73Å; L29-F336 HydrophobicContact CD1-CE1 4.24Å; L29-F336 HydrophobicContact CD1-CZ 4.43Å; L29-A353 HydrophobicContact CB-CB 4.01Å; L29-A353 HydrophobicContact CD2-CB 4.05Å; L29-A353 HydrophobicContact CG-CB 4.45Å; L29-W355 HydrophobicContact CD2-CE3 4.11Å; L29-W355 HydrophobicContact CD2-CZ3 4.26Å; L29-V360 WeakPolarHBondContact O-CG2 3.23Å |
| 30 | A | 93.9 | Very high | 91.1 | Very high | 15 Ų | 15 | 56.5 Ų | 56.5 | 12% | 0.124 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 158.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | V32 D354 V356 V360 | A30-V32 PolarHBondContact O-N 2.86Å; A30-V32 VanDerWaalsContact O-N 3.08Å; A30-D354 HydrophobicContact CB-CB 4.17Å; A30-D354 PolarHBondContact N-O 2.95Å; A30-D354 PolarHBondContact O-N 3.37Å; A30-V356 HydrophobicContact CB-CG2 3.73Å; A30-V360 HydrophobicContact CB-CG2 3.9Å |
| 31 | N | 92.8 | Very high | 92.6 | Very high | 117 Ų | 117 | 54 Ų | 54 | 63% | 0.626 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 49.7 | 38.6 | 175.1 | -57.4 | -41.6 | 0 | 0 | 0 | 113.8 | T33 D354 | N31-T33 PolarHBondContact O-N 2.88Å; N31-T33 PolarHBondContact O-OG1 3.38Å; N31-D354 PolarHBondContact ND2-OD2 3.46Å |
| 32 | V | 94.8 | Very high | 93.3 | Very high | 18 Ų | 18 | 52.6 Ų | 52.6 | 11% | 0.109 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 125 | -176.5 | -170.1 | 0 | 0 | 0 | 0 | 109.6 | V21 H22 L29 A30 F336 F351 L352 A353 | V21-V32 HydrophobicContact CG1-CB 3.96Å; V21-V32 HydrophobicContact CG1-CG1 3.75Å; V21-V32 WeakPolarHBondContact CG1-O 3.47Å; V21-V32 WeakPolarHBondContact O-CG1 3.36Å; H22-V32 HydrophobicContact CB-CB 4.2Å; H22-V32 HydrophobicContact CB-CG2 3.96Å; L29-V32 HydrophobicContact CB-CG2 3.87Å; A30-V32 PolarHBondContact O-N 2.86Å; A30-V32 VanDerWaalsContact O-N 3.08Å; V32-F336 HydrophobicContact CG1-CZ 4.33Å; V32-F351 HydrophobicContact CG1-CD1 4.11Å; V32-L352 WeakPolarHBondContact CA-O 2.93Å; V32-A353 HydrophobicContact CB-CB 4.5Å; V32-A353 HydrophobicContact CG2-CB 3.97Å |
| 33 | T | 93.6 | Very high | 93.9 | Very high | 73 Ų | 73 | 49.5 Ų | 49.5 | 45% | 0.448 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 135.2 | -174.3 | -58.2 | 0 | 0 | 0 | 0 | 110.1 | N31 L35 F351 L352 | N31-T33 PolarHBondContact O-N 2.88Å; N31-T33 PolarHBondContact O-OG1 3.38Å; T33-L35 HydrophobicContact CG2-CD2 4.26Å; T33-F351 CarbonylContact O-C 3.55Å; T33-F351 VanDerWaalsContact O-CA 3.29Å; T33-F351 WeakPolarHBondContact O-CA 3.44Å; T33-L352 PolarHBondContact N-O 3.33Å; T33-L352 PolarHBondContact O-N 3.18Å |
| 34 | Q | 93.9 | Very high | 94.3 | Very high | 26 Ų | 26 | 46.8 Ų | 46.8 | 12% | 0.121 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 128.9 | 173.5 | -171.4 | 170.2 | -25.1 | 0 | 0 | 110.1 | T36 F37 N341 N349 F351 | Q34-T36 VanDerWaalsContact CG-O 3.24Å; Q34-T36 WeakPolarHBondContact CG-O 3.18Å; Q34-T36 PolarHBondContact NE2-O 3.34Å; Q34-F37 HydrophobicContact CB-CE1 4.01Å; Q34-F37 HydrophobicContact CB-CZ 4.27Å; Q34-F37 HydrophobicContact CG-CD1 4.2Å; Q34-F37 HydrophobicContact CG-CE1 3.8Å; Q34-F37 HydrophobicContact CG-CZ 4.25Å; Q34-F37 WeakPolarHBondContact O-CZ 3.37Å; Q34-N341 PolarHBondContact OE1-ND2 3.18Å; Q34-N349 HydrophobicContact CG-CB 4.27Å; Q34-N349 PolarHBondContact NE2-ND2 2.85Å; Q34-F351 HydrophobicContact CB-CD1 3.94Å; Q34-F351 HydrophobicContact CB-CE1 3.42Å; Q34-F351 VanDerWaalsContact CB-CE1 3.42Å; Q34-F351 HydrophobicContact CB-CZ 3.83Å; Q34-F351 VanDerWaalsContact CD-CZ 3.47Å; Q34-F351 HydrophobicContact CG-CD1 4.36Å; Q34-F351 HydrophobicContact CG-CE1 3.69Å; Q34-F351 HydrophobicContact CG-CE2 4.08Å; Q34-F351 HydrophobicContact CG-CZ 3.5Å; Q34-F351 VanDerWaalsContact OE1-CZ 3.3Å |
| 35 | L | 94.4 | Very high | 94.8 | Very high | 41 Ų | 41 | 38.3 Ų | 38.3 | 22% | 0.215 | 20% | 0.203 | C | C | . | . | trans | -101.9 | -25.6 | -177.3 | -58.2 | -173.8 | 0 | 0 | 0 | 113.7 | T33 I53 L73 L75 I350 L352 | T33-L35 HydrophobicContact CG2-CD2 4.26Å; L35-I53 HydrophobicContact CD1-CD1 4.39Å; L35-L73 HydrophobicContact CB-CD2 4.27Å; L35-L73 HydrophobicContact CD1-CD2 4.44Å; L35-L75 HydrophobicContact CD1-CD2 3.7Å; L35-I350 HydrophobicContact CB-CB 4.23Å; L35-I350 HydrophobicContact CB-CG2 4.27Å; L35-I350 HydrophobicContact CD1-CG2 4.01Å; L35-I350 HydrophobicContact CG-CG2 4.45Å; L35-I350 PolarHBondContact N-O 3.46Å; L35-L352 HydrophobicContact CD1-CB 3.97Å; L35-L352 HydrophobicContact CD1-CD2 4.47Å; L35-L352 HydrophobicContact CD2-CB 4.41Å; L35-L352 HydrophobicContact CG-CB 4.2Å | ||
| 36 | T | 93.6 | Very high | 95.1 | Very high | 3 Ų | 3 | 33.3 Ų | 33.3 | 2% | 0.018 | 18% | 0.179 | C | C | . | . | trans | -125.1 | 152.9 | 178.6 | 62 | 0 | 0 | 0 | 0 | 111.4 | Q34 N41 F55 N349 I350 | Q34-T36 VanDerWaalsContact CG-O 3.24Å; Q34-T36 WeakPolarHBondContact CG-O 3.18Å; Q34-T36 PolarHBondContact NE2-O 3.34Å; T36-N41 PolarHBondContact OG1-ND2 2.76Å; T36-F55 HydrophobicContact CG2-CE2 4.49Å; T36-F55 HydrophobicContact CG2-CZ 4.35Å; T36-N349 WeakPolarHBondContact O-CB 3.43Å; T36-N349 PolarHBondContact O-OD1 3.3Å; T36-N349 VanDerWaalsContact OG1-CA 3.26Å; T36-N349 WeakPolarHBondContact OG1-CA 3.05Å; T36-N349 WeakPolarHBondContact OG1-CB 3.29Å; T36-N349 PolarHBondContact OG1-OD1 3.27Å; T36-I350 HydrophobicContact CG2-CB 4.18Å; T36-I350 HydrophobicContact CG2-CD1 3.73Å; T36-I350 HydrophobicContact CG2-CG1 3.95Å; T36-I350 PolarHBondContact OG1-N 3.46Å | ||
| 37 | F | 91.5 | Very high | 95.3 | Very high | 135 Ų | 135 | 33.3 Ų | 33.3 | 59% | 0.592 | 18% | 0.179 | S | C | * | . | trans | -136.1 | 10 | -171.2 | -55 | -84.9 | 0 | 0 | 0 | 113.7 | Q34 M347 N349 | Q34-F37 HydrophobicContact CB-CE1 4.01Å; Q34-F37 HydrophobicContact CB-CZ 4.27Å; Q34-F37 HydrophobicContact CG-CD1 4.2Å; Q34-F37 HydrophobicContact CG-CE1 3.8Å; Q34-F37 HydrophobicContact CG-CZ 4.25Å; Q34-F37 WeakPolarHBondContact O-CZ 3.37Å; F37-M347 WeakPolarHBondContact O-CE 3.36Å; F37-N349 PolarHBondContact N-OD1 3.25Å | ||
| 38 | T | 90.5 | Very high | 95.4 | Very high | 37 Ų | 37 | 31.2 Ų | 31.2 | 23% | 0.227 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -151.9 | 156.9 | 179.2 | 58.1 | 0 | 0 | 0 | 0 | 110.9 | N41 D59 K61 | T38-N41 PolarHBondContact O-ND2 3.21Å; T38-D59 WeakPolarHBondContact CB-OD2 3.46Å; T38-D59 PolarHBondContact OG1-OD2 2.94Å; T38-K61 HydrophobicContact CG2-CD 3.91Å |
| 39 | G | 92.4 | Very high | 95.5 | Very high | 16 Ų | 16 | 33.8 Ų | 33.8 | 17% | 0.165 | 18% | 0.184 | C | C | . | . | S | Bend | trans | 74.2 | -166.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | T58 M347 M348 | G39-T58 WeakPolarHBondContact CA-O 3.37Å; G39-M347 WeakPolarHBondContact O-CA 2.88Å; G39-M348 PolarHBondContact O-N 2.83Å |
| 40 | V | 95.1 | Very high | 95.5 | Very high | 66 Ų | 66 | 34.9 Ų | 34.9 | 40% | 0.4 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 109.5 | 173.6 | -179.3 | 0 | 0 | 0 | 0 | 106.4 | A57 T58 M348 | V40-A57 CarbonylContact O-C 3.06Å; V40-A57 VanDerWaalsContact O-CA 3.24Å; V40-A57 WeakPolarHBondContact O-CA 3.37Å; V40-T58 PolarHBondContact N-O 3.28Å; V40-T58 PolarHBondContact O-N 3.48Å; V40-M348 HydrophobicContact CG1-CB 4.05Å; V40-M348 HydrophobicContact CG1-CG 4Å |
| 41 | N | 96.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 143.4 | 179.9 | -47.2 | -93.2 | 0 | 0 | 0 | 108.1 | T36 T38 F55 Q56 A57 K62 I337 M348 I350 | T36-N41 PolarHBondContact OG1-ND2 2.76Å; T38-N41 PolarHBondContact O-ND2 3.21Å; N41-F55 HydrophobicContact CB-CD2 4.26Å; N41-F55 HydrophobicContact CB-CE2 4.45Å; N41-F55 WeakPolarHBondContact OD1-CE2 3.3Å; N41-Q56 CarbonylContact C-O 3.58Å; N41-Q56 WeakPolarHBondContact CA-O 3.36Å; N41-A57 HydrophobicContact CB-CB 4.49Å; N41-A57 WeakPolarHBondContact OD1-CB 3.25Å; N41-K62 PolarHBondContact OD1-NZ 2.96Å; N41-I337 WeakPolarHBondContact O-CG2 2.94Å; N41-M348 WeakPolarHBondContact CB-O 3.27Å; N41-M348 PolarHBondContact N-O 3.07Å; N41-M348 PolarHBondContact ND2-O 3.28Å; N41-M348 WeakPolarHBondContact O-CB 3.28Å; N41-I350 HydrophobicContact CB-CD1 4.29Å; N41-I350 HydrophobicContact CB-CG1 3.95Å |
| 42 | A | 97.5 | Very high | 96 | Very high | 13 Ų | 13 | 34.9 Ų | 34.9 | 11% | 0.107 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 168.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111 | A44 Q56 F324 | A42-A44 PolarHBondContact O-N 3.03Å; A42-Q56 HydrophobicContact CB-CG 3.82Å; A42-Q56 PolarHBondContact N-O 2.87Å; A42-Q56 WeakPolarHBondContact O-CG 3.36Å; A42-Q56 PolarHBondContact O-N 3.26Å; A42-Q56 VanDerWaalsContact O-N 3.08Å; A42-F324 HydrophobicContact CB-CD2 4.24Å; A42-F324 HydrophobicContact CB-CE2 3.9Å; A42-F324 HydrophobicContact CB-CZ 4.21Å |
| 43 | E | 98.5 | Very high | 96.2 | Very high | 15 Ų | 15 | 34 Ų | 34 | 7% | 0.07 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 52.9 | 49.2 | 168.2 | -62.1 | -176.1 | -174.9 | 0 | 0 | 113.7 | Y45 F55 Q56 C94 F324 | E43-Y45 HydrophobicContact CB-CD2 4.36Å; E43-Y45 HydrophobicContact CB-CE2 3.56Å; E43-Y45 HydrophobicContact CG-CE2 4.21Å; E43-Y45 WeakPolarHBondContact CG-OH 3.41Å; E43-Y45 WeakPolarHBondContact O-CD2 3.36Å; E43-Y45 PolarHBondContact O-N 2.96Å; E43-F55 WeakPolarHBondContact O-CA 3.34Å; E43-Q56 HydrophobicContact CB-CG 4.23Å; E43-Q56 PolarHBondContact OE1-NE2 3.45Å; E43-Q56 PolarHBondContact OE2-NE2 2.89Å; E43-Q56 PolarHBondContact OE2-OE1 2.95Å; E43-C94 WeakPolarHBondContact OE2-CA 3.37Å; E43-C94 PolarHBondContact OE2-N 2.65Å; E43-C94 VanDerWaalsContact OE2-N 3.14Å; E43-C94 PolarHBondContact OE2-SG 3.4Å; E43-C94 VanDerWaalsContact OE2-SG 3.38Å; E43-F324 HydrophobicContact CG-CD1 3.5Å; E43-F324 VanDerWaalsContact CG-CD1 3.5Å; E43-F324 HydrophobicContact CG-CE1 3.48Å; E43-F324 VanDerWaalsContact CG-CE1 3.48Å; E43-F324 HydrophobicContact CG-CG 4.26Å; E43-F324 HydrophobicContact CG-CZ 4.25Å |
| 44 | A | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 107.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | A42 I53 L54 F55 I335 I337 I350 | A42-A44 PolarHBondContact O-N 3.03Å; A44-I53 HydrophobicContact CB-CD1 4.29Å; A44-L54 CarbonylContact C-O 3.49Å; A44-L54 VanDerWaalsContact CA-O 3.31Å; A44-L54 WeakPolarHBondContact CA-O 3.29Å; A44-F55 HydrophobicContact CB-CB 3.94Å; A44-I335 HydrophobicContact CB-CD1 3.78Å; A44-I335 HydrophobicContact CB-CG1 4.27Å; A44-I335 WeakPolarHBondContact O-CG2 3.46Å; A44-I337 HydrophobicContact CB-CD1 4.02Å; A44-I350 HydrophobicContact CB-CD1 3.9Å; A44-I350 HydrophobicContact CB-CG1 4.09Å; A44-I350 HydrophobicContact CB-CG2 3.89Å |
| 45 | Y | 98.8 | Very high | 96.7 | Very high | 14 Ų | 14 | 29.3 Ų | 29.3 | 6% | 0.055 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 134.9 | -173.9 | -56.3 | -44.7 | 0 | 0 | 0 | 112.5 | E43 I53 L54 S95 F96 F213 M326 | E43-Y45 HydrophobicContact CB-CD2 4.36Å; E43-Y45 HydrophobicContact CB-CE2 3.56Å; E43-Y45 HydrophobicContact CG-CE2 4.21Å; E43-Y45 WeakPolarHBondContact CG-OH 3.41Å; E43-Y45 WeakPolarHBondContact O-CD2 3.36Å; E43-Y45 PolarHBondContact O-N 2.96Å; Y45-I53 CarbonylContact O-C 3.48Å; Y45-I53 WeakPolarHBondContact O-CA 3.41Å; Y45-L54 PolarHBondContact N-O 3.03Å; Y45-L54 PolarHBondContact O-N 2.64Å; Y45-S95 WeakPolarHBondContact CD2-O 3.19Å; Y45-F96 AromaticContact CD2-CD2 3.86Å; Y45-F96 HydrophobicContact CD2-CD2 3.86Å; Y45-F96 HydrophobicContact CD2-CE2 4.32Å; Y45-F96 HydrophobicContact CG-CD2 4.09Å; Y45-F96 HydrophobicContact CG-CE2 4.14Å; Y45-F213 HydrophobicContact CD1-CE1 4.41Å; Y45-F213 HydrophobicContact CD1-CZ 4.43Å; Y45-F213 HydrophobicContact CE1-CE1 4.1Å; Y45-F213 AromaticContact CE1-CZ 3.7Å; Y45-F213 HydrophobicContact CE1-CZ 3.7Å; Y45-F213 HydrophobicContact CE2-CZ 4.14Å; Y45-F213 AromaticContact CZ-CZ 3.54Å; Y45-M326 WeakPolarHBondContact CA-SD 3.5Å; Y45-M326 VanDerWaalsContact CB-SD 3.54Å; Y45-M326 HydrophobicContact CD1-CB 4.04Å; Y45-M326 HydrophobicContact CD1-CG 4.39Å; Y45-M326 HydrophobicContact CD1-SD 3.62Å; Y45-M326 HydrophobicContact CG-SD 3.97Å |
| 46 | F | 98.8 | Very high | 96.8 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.009 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 148.2 | -178.2 | -72.2 | -81.3 | 0 | 0 | 0 | 113 | E52 I53 L75 M326 K333 I335 L352 | F46-E52 CarbonylContact C-O 3.57Å; F46-E52 WeakPolarHBondContact CA-O 3.18Å; F46-I53 HydrophobicContact CD1-CG2 3.96Å; F46-I53 HydrophobicContact CE1-CG2 4.3Å; F46-I53 HydrophobicContact CG-CG2 4.37Å; F46-L75 HydrophobicContact CD1-CD1 3.86Å; F46-L75 HydrophobicContact CE1-CD1 3.43Å; F46-L75 VanDerWaalsContact CE1-CD1 3.43Å; F46-M326 HydrophobicContact CB-CE 3.98Å; F46-M326 HydrophobicContact CB-SD 4.3Å; F46-M326 HydrophobicContact CD2-CE 4.47Å; F46-M326 HydrophobicContact CD2-CG 4.15Å; F46-M326 HydrophobicContact CD2-SD 4.14Å; F46-M326 PolarHBondContact N-SD 2.89Å; F46-K333 HydrophobicContact CZ-CB 4.34Å; F46-I335 HydrophobicContact CD2-CG2 3.91Å; F46-I335 HydrophobicContact CE2-CB 3.66Å; F46-I335 HydrophobicContact CE2-CG2 3.42Å; F46-I335 VanDerWaalsContact CE2-CG2 3.42Å; F46-I335 HydrophobicContact CZ-CB 3.85Å; F46-I335 HydrophobicContact CZ-CG2 4.1Å; F46-L352 HydrophobicContact CE1-CD1 4.27Å; F46-L352 HydrophobicContact CZ-CD1 3.69Å |
| 47 | S | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.147 | C | C | . | . | trans | -61.4 | 157.1 | 155.8 | 65.8 | 0 | 0 | 0 | 0 | 110.2 | D49 G50 K51 E52 F97 N101 P329 | S47-D49 PolarHBondContact O-N 2.94Å; S47-D49 PolarHBondContact OG-OD1 3.41Å; S47-G50 WeakPolarHBondContact O-CA 3.41Å; S47-G50 PolarHBondContact O-N 2.74Å; S47-G50 PolarHBondContact OG-N 3.39Å; S47-K51 PolarHBondContact OG-N 3.49Å; S47-E52 PolarHBondContact N-O 2.86Å; S47-E52 PolarHBondContact OG-N 3.28Å; S47-E52 VanDerWaalsContact OG-N 3.16Å; S47-E52 PolarHBondContact OG-O 3.33Å; S47-F97 VanDerWaalsContact N-CD2 3.32Å; S47-N101 WeakPolarHBondContact CB-OD1 3.15Å; S47-P329 VanDerWaalsContact O-CG 3.24Å; S47-P329 WeakPolarHBondContact O-CG 3.43Å | ||
| 48 | F | 97.5 | Very high | 97.2 | Very high | 57 Ų | 57 | 23.1 Ų | 23.1 | 25% | 0.25 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -23.4 | 178.8 | -80 | -110.9 | 0 | 0 | 0 | 113.3 | F96 F97 N99 N101 V170 P329 | F48-F96 HydrophobicContact CE2-CE1 4.09Å; F48-F96 HydrophobicContact CZ-CE1 4.39Å; F48-F97 HydrophobicContact CD2-CB 4.31Å; F48-F97 WeakPolarHBondContact CE2-O 3.5Å; F48-N99 HydrophobicContact CD1-CB 3.79Å; F48-N99 HydrophobicContact CD2-CB 4.32Å; F48-N99 HydrophobicContact CE1-CB 3.8Å; F48-N99 HydrophobicContact CE2-CB 4.36Å; F48-N99 HydrophobicContact CG-CB 4.05Å; F48-N99 HydrophobicContact CZ-CB 4.1Å; F48-N101 WeakPolarHBondContact CA-OD1 3.15Å; F48-N101 WeakPolarHBondContact CB-OD1 3.43Å; F48-N101 PolarHBondContact N-OD1 3.36Å; F48-V170 HydrophobicContact CZ-CG1 4.26Å; F48-P329 WeakPolarHBondContact O-CB 3.21Å; F48-P329 WeakPolarHBondContact O-CG 3.39Å |
| 49 | D | 97.3 | Very high | 97.3 | Very high | 62 Ų | 62 | 21.8 Ų | 21.8 | 33% | 0.332 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -0.8 | 170.9 | 78 | -16.3 | 0 | 0 | 0 | 114 | S47 K51 N101 | S47-D49 PolarHBondContact O-N 2.94Å; S47-D49 PolarHBondContact OG-OD1 3.41Å; D49-K51 PolarHBondContact O-N 2.79Å; D49-K51 PolarHBondContact OD1-N 3.45Å; D49-K51 VanDerWaalsContact OD2-CD 3.25Å; D49-K51 WeakPolarHBondContact OD2-CD 3.4Å; D49-K51 VanDerWaalsContact OD2-CE 3.28Å; D49-K51 WeakPolarHBondContact OD2-CE 3.2Å; D49-K51 IonicContact OD2-NZ 3.89Å; D49-K51 PolarHBondContact OD2-NZ 2.83Å; D49-N101 PolarHBondContact N-OD1 2.94Å; D49-N101 VanDerWaalsContact N-OD1 3.07Å |
| 50 | G | 97.8 | Very high | 97.1 | Very high | 22 Ų | 22 | 29.5 Ų | 29.5 | 23% | 0.227 | 15% | 0.145 | C | C | . | . | S | Bend | trans | 70.6 | 9.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | S47 | S47-G50 WeakPolarHBondContact O-CA 3.41Å; S47-G50 PolarHBondContact O-N 2.74Å; S47-G50 PolarHBondContact OG-N 3.39Å |
| 51 | K | 98 | Very high | 96.7 | Very high | 103 Ų | 103 | 34.4 Ų | 34.4 | 45% | 0.448 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -88.5 | -18.7 | -176.2 | -64.3 | -174.3 | -162.9 | 135.2 | 0 | 114.1 | S47 D49 L75 | S47-K51 PolarHBondContact OG-N 3.49Å; D49-K51 PolarHBondContact O-N 2.79Å; D49-K51 PolarHBondContact OD1-N 3.45Å; D49-K51 VanDerWaalsContact OD2-CD 3.25Å; D49-K51 WeakPolarHBondContact OD2-CD 3.4Å; D49-K51 VanDerWaalsContact OD2-CE 3.28Å; D49-K51 WeakPolarHBondContact OD2-CE 3.2Å; D49-K51 IonicContact OD2-NZ 3.89Å; D49-K51 PolarHBondContact OD2-NZ 2.83Å; K51-L75 VanDerWaalsContact O-CB 3.32Å; K51-L75 WeakPolarHBondContact O-CB 3.28Å; K51-L75 PolarHBondContact O-N 2.61Å |
| 52 | E | 98.2 | Very high | 96.2 | Very high | 30 Ų | 30 | 36.6 Ų | 36.6 | 14% | 0.14 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 162.5 | -174.2 | -54.5 | -173.9 | 74 | 0 | 0 | 110.1 | F46 S47 R72 L73 R74 F97 | F46-E52 CarbonylContact C-O 3.57Å; F46-E52 WeakPolarHBondContact CA-O 3.18Å; S47-E52 PolarHBondContact N-O 2.86Å; S47-E52 PolarHBondContact OG-N 3.28Å; S47-E52 VanDerWaalsContact OG-N 3.16Å; S47-E52 PolarHBondContact OG-O 3.33Å; E52-R72 VanDerWaalsContact CD-NH2 3.27Å; E52-R72 IonicContact OE1-CZ 3.66Å; E52-R72 IonicContact OE1-NE 3.97Å; E52-R72 PolarHBondContact OE1-NE 2.83Å; E52-R72 IonicContact OE1-NH2 3.22Å; E52-R72 PolarHBondContact OE1-NH2 3.24Å; E52-R72 IonicContact OE2-CZ 3.3Å; E52-R72 IonicContact OE2-NE 2.7Å; E52-R72 IonicContact OE2-NH2 2.79Å; E52-R72 PolarHBondContact OE2-NH2 3.21Å; E52-L73 CarbonylContact C-O 3.58Å; E52-L73 VanDerWaalsContact CA-O 3.25Å; E52-L73 WeakPolarHBondContact CA-O 3.29Å; E52-R74 HydrophobicContact CG-CB 4.48Å; E52-R74 HydrophobicContact CG-CG 4.06Å; E52-R74 VanDerWaalsContact OE1-CG 3.32Å; E52-R74 WeakPolarHBondContact OE1-CG 3.44Å; E52-F97 HydrophobicContact CB-CE2 4.47Å; E52-F97 HydrophobicContact CB-CZ 4.04Å |
| 53 | I | 98.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 148.3 | 170.2 | 60.9 | 177 | 0 | 0 | 0 | 111.1 | L35 A44 Y45 F46 F55 R72 L73 L75 I335 I350 | L35-I53 HydrophobicContact CD1-CD1 4.39Å; A44-I53 HydrophobicContact CB-CD1 4.29Å; Y45-I53 CarbonylContact O-C 3.48Å; Y45-I53 WeakPolarHBondContact O-CA 3.41Å; F46-I53 HydrophobicContact CD1-CG2 3.96Å; F46-I53 HydrophobicContact CE1-CG2 4.3Å; F46-I53 HydrophobicContact CG-CG2 4.37Å; I53-F55 HydrophobicContact CD1-CD1 4.1Å; I53-F55 HydrophobicContact CG1-CD1 4.14Å; I53-R72 CarbonylContact O-C 3.51Å; I53-R72 VanDerWaalsContact O-CA 3.3Å; I53-R72 WeakPolarHBondContact O-CA 3.31Å; I53-L73 HydrophobicContact CD1-CB 4.29Å; I53-L73 HydrophobicContact CD1-CD2 4.18Å; I53-L73 HydrophobicContact CG1-CB 3.84Å; I53-L73 PolarHBondContact N-O 3.14Å; I53-L73 PolarHBondContact O-N 2.61Å; I53-L75 HydrophobicContact CD1-CD2 4.37Å; I53-L75 HydrophobicContact CG1-CD2 4.4Å; I53-L75 HydrophobicContact CG2-CD1 3.94Å; I53-L75 HydrophobicContact CG2-CD2 4.34Å; I53-L75 HydrophobicContact CG2-CG 4.34Å; I53-I335 HydrophobicContact CB-CD1 4.47Å; I53-I335 HydrophobicContact CD1-CD1 3.74Å; I53-I335 HydrophobicContact CG2-CD1 3.65Å; I53-I350 HydrophobicContact CD1-CD1 3.99Å; I53-I350 HydrophobicContact CD1-CG2 4.13Å |
| 54 | L | 98.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 145.6 | 157.4 | -71.4 | 165.8 | 0 | 0 | 0 | 108.6 | A44 Y45 I70 F71 R72 V85 S95 F97 L104 | A44-L54 CarbonylContact C-O 3.49Å; A44-L54 VanDerWaalsContact CA-O 3.31Å; A44-L54 WeakPolarHBondContact CA-O 3.29Å; Y45-L54 PolarHBondContact N-O 3.03Å; Y45-L54 PolarHBondContact O-N 2.64Å; L54-I70 HydrophobicContact CD2-CG2 4.02Å; L54-F71 CarbonylContact C-O 3.55Å; L54-F71 VanDerWaalsContact CA-O 3.28Å; L54-F71 WeakPolarHBondContact CA-O 3.27Å; L54-R72 HydrophobicContact CD2-CB 3.98Å; L54-R72 HydrophobicContact CD2-CG 4.39Å; L54-V85 HydrophobicContact CD2-CG2 3.97Å; L54-S95 WeakPolarHBondContact CB-OG 3.22Å; L54-F97 HydrophobicContact CB-CD2 4.43Å; L54-F97 HydrophobicContact CB-CE2 4.12Å; L54-F97 HydrophobicContact CD1-CD1 3.88Å; L54-F97 HydrophobicContact CD1-CD2 3.69Å; L54-F97 HydrophobicContact CD1-CE1 3.96Å; L54-F97 HydrophobicContact CD1-CE2 3.82Å; L54-F97 HydrophobicContact CD1-CG 3.76Å; L54-F97 HydrophobicContact CD1-CZ 3.95Å; L54-F97 HydrophobicContact CD2-CZ 4.25Å; L54-F97 HydrophobicContact CG-CD1 4.42Å; L54-F97 HydrophobicContact CG-CD2 3.86Å; L54-F97 HydrophobicContact CG-CE1 4.04Å; L54-F97 HydrophobicContact CG-CE2 3.48Å; L54-F97 VanDerWaalsContact CG-CE2 3.48Å; L54-F97 HydrophobicContact CG-CG 4.36Å; L54-F97 HydrophobicContact CG-CZ 3.57Å; L54-L104 HydrophobicContact CD1-CB 3.57Å; L54-L104 HydrophobicContact CD1-CD2 4.17Å; L54-L104 HydrophobicContact CD1-CG 4.3Å; L54-L104 HydrophobicContact CD2-CD2 4.11Å |
| 55 | F | 98.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 154.2 | 175.4 | 64.7 | -84.9 | 0 | 0 | 0 | 110.6 | T36 N41 E43 A44 I53 A57 F71 L73 P82 I350 | T36-F55 HydrophobicContact CG2-CE2 4.49Å; T36-F55 HydrophobicContact CG2-CZ 4.35Å; N41-F55 HydrophobicContact CB-CD2 4.26Å; N41-F55 HydrophobicContact CB-CE2 4.45Å; N41-F55 WeakPolarHBondContact OD1-CE2 3.3Å; E43-F55 WeakPolarHBondContact O-CA 3.34Å; A44-F55 HydrophobicContact CB-CB 3.94Å; I53-F55 HydrophobicContact CD1-CD1 4.1Å; I53-F55 HydrophobicContact CG1-CD1 4.14Å; F55-A57 HydrophobicContact CD2-CB 4.15Å; F55-A57 HydrophobicContact CE2-CB 3.97Å; F55-F71 HydrophobicContact CD1-CB 4.05Å; F55-F71 WeakPolarHBondContact CD1-O 3.48Å; F55-F71 HydrophobicContact CD2-CB 4.17Å; F55-F71 HydrophobicContact CE1-CB 3.61Å; F55-F71 HydrophobicContact CE2-CB 3.76Å; F55-F71 HydrophobicContact CE2-CD2 4.34Å; F55-F71 HydrophobicContact CE2-CG 4.2Å; F55-F71 HydrophobicContact CG-CB 4.34Å; F55-F71 HydrophobicContact CZ-CB 3.49Å; F55-F71 VanDerWaalsContact CZ-CB 3.49Å; F55-F71 HydrophobicContact CZ-CG 4.18Å; F55-F71 PolarHBondContact N-O 3.44Å; F55-F71 PolarHBondContact O-N 3.1Å; F55-L73 HydrophobicContact CE1-CB 3.96Å; F55-P82 HydrophobicContact CE1-CB 4.2Å; F55-P82 HydrophobicContact CE1-CG 4.34Å; F55-P82 HydrophobicContact CZ-CB 3.63Å; F55-P82 HydrophobicContact CZ-CG 3.72Å; F55-I350 HydrophobicContact CB-CD1 3.91Å; F55-I350 HydrophobicContact CD1-CD1 3.77Å; F55-I350 HydrophobicContact CD2-CD1 3.62Å; F55-I350 HydrophobicContact CE1-CD1 4.06Å; F55-I350 HydrophobicContact CE2-CD1 3.91Å; F55-I350 HydrophobicContact CG-CD1 3.5Å; F55-I350 HydrophobicContact CZ-CD1 4.09Å |
| 56 | Q | 98.4 | Very high | 94.3 | Very high | 15 Ų | 15 | 44.5 Ų | 44.5 | 7% | 0.07 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 143.3 | 171.1 | 69 | -170 | -1.5 | 0 | 0 | 110.5 | N41 A42 E43 Q69 I70 T93 | N41-Q56 CarbonylContact C-O 3.58Å; N41-Q56 WeakPolarHBondContact CA-O 3.36Å; A42-Q56 HydrophobicContact CB-CG 3.82Å; A42-Q56 PolarHBondContact N-O 2.87Å; A42-Q56 WeakPolarHBondContact O-CG 3.36Å; A42-Q56 PolarHBondContact O-N 3.26Å; A42-Q56 VanDerWaalsContact O-N 3.08Å; E43-Q56 HydrophobicContact CB-CG 4.23Å; E43-Q56 PolarHBondContact OE1-NE2 3.45Å; E43-Q56 PolarHBondContact OE2-NE2 2.89Å; E43-Q56 PolarHBondContact OE2-OE1 2.95Å; Q56-Q69 CarbonylContact C-O 3.51Å; Q56-Q69 WeakPolarHBondContact CA-O 3.35Å; Q56-I70 HydrophobicContact CB-CD1 3.95Å; Q56-T93 PolarHBondContact OE1-OG1 3.14Å |
| 57 | A | 97.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 140.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | V40 N41 F55 Q69 F71 | V40-A57 CarbonylContact O-C 3.06Å; V40-A57 VanDerWaalsContact O-CA 3.24Å; V40-A57 WeakPolarHBondContact O-CA 3.37Å; N41-A57 HydrophobicContact CB-CB 4.49Å; N41-A57 WeakPolarHBondContact OD1-CB 3.25Å; F55-A57 HydrophobicContact CD2-CB 4.15Å; F55-A57 HydrophobicContact CE2-CB 3.97Å; A57-Q69 PolarHBondContact N-O 2.88Å; A57-Q69 PolarHBondContact O-N 3.01Å; A57-F71 HydrophobicContact CB-CD2 3.82Å; A57-F71 HydrophobicContact CB-CE2 3.85Å |
| 58 | T | 95.8 | Very high | 94.1 | Very high | 33 Ų | 33 | 46.1 Ų | 46.1 | 20% | 0.202 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 111.4 | 159.1 | -72.8 | 0 | 0 | 0 | 0 | 108.8 | G39 V40 T64 D68 | G39-T58 WeakPolarHBondContact CA-O 3.37Å; V40-T58 PolarHBondContact N-O 3.28Å; V40-T58 PolarHBondContact O-N 3.48Å; T58-T64 WeakPolarHBondContact CA-OG1 3.4Å; T58-D68 WeakPolarHBondContact CB-OD1 3.43Å; T58-D68 WeakPolarHBondContact OG1-CA 3.41Å; T58-D68 PolarHBondContact OG1-N 2.86Å; T58-D68 PolarHBondContact OG1-OD1 2.89Å |
| 59 | D | 92.3 | Very high | 94.1 | Very high | 10 Ų | 10 | 43.4 Ų | 43.4 | 5% | 0.053 | 23% | 0.229 | C | C | . | . | trans | -152.1 | 110.9 | 177.8 | -169.5 | -11.9 | 0 | 0 | 0 | 111 | T38 K61 K62 G63 T64 | T38-D59 WeakPolarHBondContact CB-OD2 3.46Å; T38-D59 PolarHBondContact OG1-OD2 2.94Å; D59-K61 PolarHBondContact O-N 3.21Å; D59-K61 VanDerWaalsContact O-N 3.15Å; D59-K61 VanDerWaalsContact OD1-CB 3.27Å; D59-K61 WeakPolarHBondContact OD1-CB 3.25Å; D59-K61 PolarHBondContact OD1-N 2.64Å; D59-K62 HydrophobicContact CB-CB 4.02Å; D59-K62 HydrophobicContact CB-CD 3.84Å; D59-K62 HydrophobicContact CB-CG 3.84Å; D59-K62 CarbonylContact O-C 3.53Å; D59-K62 WeakPolarHBondContact O-CA 3.48Å; D59-K62 PolarHBondContact O-N 2.82Å; D59-K62 WeakPolarHBondContact OD2-CE 3.47Å; D59-G63 PolarHBondContact O-N 2.81Å; D59-T64 PolarHBondContact N-OG1 3.07Å; D59-T64 PolarHBondContact O-N 3.2Å; D59-T64 PolarHBondContact O-OG1 3.38Å | ||
| 60 | R | 87.5 | Confident | 94.2 | Very high | 178 Ų | 178 | 40.5 Ų | 40.5 | 67% | 0.672 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -56.5 | -30 | 174.8 | -69.1 | -176.8 | 178 | -176.8 | -0.7 | 112.4 | K62 G63 G65 E66 | R60-K62 VanDerWaalsContact C-N 3.31Å; R60-G63 PolarHBondContact O-N 2.79Å; R60-G65 VanDerWaalsContact CG-O 3.25Å; R60-G65 WeakPolarHBondContact CG-O 3.24Å; R60-E66 IonicContact CZ-OE1 2.7Å; R60-E66 IonicContact NH2-OE1 2.92Å; R60-E66 PolarHBondContact NH2-OE1 3.24Å |
| 61 | K | 85.7 | Confident | 94.2 | Very high | 168 Ų | 168 | 39.7 Ų | 39.7 | 73% | 0.73 | 20% | 0.204 | S | C | * | . | G | 310 helix | trans | -71.9 | -25.2 | 176.5 | -62 | 178.6 | 178.4 | 177.2 | 0 | 112.7 | T38 D59 G63 | T38-K61 HydrophobicContact CG2-CD 3.91Å; D59-K61 PolarHBondContact O-N 3.21Å; D59-K61 VanDerWaalsContact O-N 3.15Å; D59-K61 VanDerWaalsContact OD1-CB 3.27Å; D59-K61 WeakPolarHBondContact OD1-CB 3.25Å; D59-K61 PolarHBondContact OD1-N 2.64Å; K61-G63 VanDerWaalsContact C-N 3.32Å |
| 62 | K | 86.3 | Confident | 94.2 | Very high | 47 Ų | 47 | 37.2 Ų | 37.2 | 20% | 0.204 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -92.4 | 8.9 | 173.6 | -57.3 | 176.4 | -169.8 | 171.4 | 0 | 112.5 | N41 D59 R60 T64 F71 | N41-K62 PolarHBondContact OD1-NZ 2.96Å; D59-K62 HydrophobicContact CB-CB 4.02Å; D59-K62 HydrophobicContact CB-CD 3.84Å; D59-K62 HydrophobicContact CB-CG 3.84Å; D59-K62 CarbonylContact O-C 3.53Å; D59-K62 WeakPolarHBondContact O-CA 3.48Å; D59-K62 PolarHBondContact O-N 2.82Å; D59-K62 WeakPolarHBondContact OD2-CE 3.47Å; R60-K62 VanDerWaalsContact C-N 3.31Å; K62-T64 HydrophobicContact CB-CG2 4.18Å; K62-T64 PolarHBondContact O-N 3.03Å; K62-F71 HydrophobicContact CB-CE1 3.89Å; K62-F71 HydrophobicContact CB-CZ 3.66Å; K62-F71 HydrophobicContact CD-CD1 4.43Å; K62-F71 HydrophobicContact CD-CE1 3.89Å; K62-F71 HydrophobicContact CD-CE2 4.4Å; K62-F71 HydrophobicContact CD-CZ 3.87Å; K62-F71 HydrophobicContact CG-CE1 4.37Å; K62-F71 HydrophobicContact CG-CZ 4.38Å |
| 63 | G | 86 | Confident | 94.2 | Very high | 63 Ų | 63 | 36.3 Ų | 36.3 | 65% | 0.649 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.3 | 12.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | D59 R60 K61 G65 | D59-G63 PolarHBondContact O-N 2.81Å; R60-G63 PolarHBondContact O-N 2.79Å; K61-G63 VanDerWaalsContact C-N 3.32Å; G63-G65 VanDerWaalsContact C-N 3.35Å |
| 64 | T | 91.5 | Very high | 94.1 | Very high | 13 Ų | 13 | 42.2 Ų | 42.2 | 8% | 0.08 | 21% | 0.21 | C | C | . | . | trans | -82.8 | -12.8 | -176.3 | 86.8 | 0 | 0 | 0 | 0 | 113.7 | T58 D59 K62 E66 C67 Q69 F71 M84 | T58-T64 WeakPolarHBondContact CA-OG1 3.4Å; D59-T64 PolarHBondContact N-OG1 3.07Å; D59-T64 PolarHBondContact O-N 3.2Å; D59-T64 PolarHBondContact O-OG1 3.38Å; K62-T64 HydrophobicContact CB-CG2 4.18Å; K62-T64 PolarHBondContact O-N 3.03Å; T64-E66 PolarHBondContact O-N 2.81Å; T64-C67 WeakPolarHBondContact CB-O 3.36Å; T64-C67 PolarHBondContact O-N 3.02Å; T64-C67 PolarHBondContact OG1-O 2.88Å; T64-C67 VanDerWaalsContact OG1-O 3.07Å; T64-Q69 HydrophobicContact CG2-CB 3.93Å; T64-Q69 HydrophobicContact CG2-CG 4.17Å; T64-F71 HydrophobicContact CG2-CE2 3.7Å; T64-F71 HydrophobicContact CG2-CZ 3.56Å; T64-M84 HydrophobicContact CG2-CE 3.92Å | ||
| 65 | G | 88.6 | Confident | 94.1 | Very high | 34 Ų | 34 | 44.3 Ų | 44.3 | 35% | 0.351 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | -117.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112 | R60 G63 | R60-G65 VanDerWaalsContact CG-O 3.25Å; R60-G65 WeakPolarHBondContact CG-O 3.24Å; G63-G65 VanDerWaalsContact C-N 3.35Å |
| 66 | E | 89.2 | Confident | 93.7 | Very high | 97 Ų | 97 | 49.4 Ų | 49.4 | 45% | 0.453 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | 5.6 | 177.6 | -54.3 | -160.8 | 156.6 | 0 | 0 | 113.1 | R60 T64 R91 K122 | R60-E66 IonicContact CZ-OE1 2.7Å; R60-E66 IonicContact NH2-OE1 2.92Å; R60-E66 PolarHBondContact NH2-OE1 3.24Å; T64-E66 PolarHBondContact O-N 2.81Å; E66-R91 PolarHBondContact O-NH2 3.16Å; E66-K122 IonicContact OE2-NZ 3.95Å |
| 67 | C | 94.7 | Very high | 93.5 | Very high | 6 Ų | 6 | 50.6 Ų | 50.6 | 4% | 0.041 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -109.1 | 140.4 | -178.2 | -103.1 | 0 | 0 | 0 | 0 | 111.1 | T64 Q69 G90 C116 | T64-C67 WeakPolarHBondContact CB-O 3.36Å; T64-C67 PolarHBondContact O-N 3.02Å; T64-C67 PolarHBondContact OG1-O 2.88Å; T64-C67 VanDerWaalsContact OG1-O 3.07Å; C67-Q69 PolarHBondContact O-N 3.33Å; C67-G90 WeakPolarHBondContact CB-O 3.29Å; C67-G90 PolarHBondContact SG-O 3.19Å; C67-G90 VanDerWaalsContact SG-O 3.35Å; C67-C116 VanDerWaalsContact CA-SG 3.56Å; C67-C116 HydrophobicContact CB-CB 3.88Å; C67-C116 WeakPolarHBondContact CB-SG 3.44Å; C67-C116 WeakPolarHBondContact SG-CA 3.32Å; C67-C116 WeakPolarHBondContact SG-CB 3.47Å; C67-C116 CovalentContact SG-SG 2.02Å; C67-C116 PolarHBondContact SG-SG 3.08Å |
| 68 | D | 97.2 | Very high | 92.9 | Very high | 30 Ų | 30 | 57 Ų | 57 | 16% | 0.16 | 30% | 0.296 | C | S | . | . | trans | -64.4 | 133.5 | 171.3 | -60.7 | -53.9 | 0 | 0 | 0 | 109 | T58 R91 T92 | T58-D68 WeakPolarHBondContact CB-OD1 3.43Å; T58-D68 WeakPolarHBondContact OG1-CA 3.41Å; T58-D68 PolarHBondContact OG1-N 2.86Å; T58-D68 PolarHBondContact OG1-OD1 2.89Å; D68-R91 HydrophobicContact CB-CG 4.34Å; D68-R91 IonicContact OD2-CZ 2.7Å; D68-R91 IonicContact OD2-NH1 3.57Å; D68-R91 PolarHBondContact OD2-NH1 2.62Å; D68-T92 CarbonylContact C-O 3.53Å; D68-T92 VanDerWaalsContact CB-O 3.25Å; D68-T92 WeakPolarHBondContact CB-O 3.32Å; D68-T92 PolarHBondContact O-N 3.39Å; D68-T92 VanDerWaalsContact O-O 3.14Å; D68-T92 PolarHBondContact O-OG1 3.18Å | ||
| 69 | Q | 98.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 153.9 | 174.1 | -69.3 | -63.8 | -54.3 | 0 | 0 | 109.7 | Q56 A57 T64 C67 F71 M84 S86 K89 G90 T92 | Q56-Q69 CarbonylContact C-O 3.51Å; Q56-Q69 WeakPolarHBondContact CA-O 3.35Å; A57-Q69 PolarHBondContact N-O 2.88Å; A57-Q69 PolarHBondContact O-N 3.01Å; T64-Q69 HydrophobicContact CG2-CB 3.93Å; T64-Q69 HydrophobicContact CG2-CG 4.17Å; C67-Q69 PolarHBondContact O-N 3.33Å; Q69-F71 HydrophobicContact CB-CE2 3.9Å; Q69-F71 HydrophobicContact CB-CZ 4.47Å; Q69-F71 VanDerWaalsContact O-CD2 3.3Å; Q69-F71 WeakPolarHBondContact O-CD2 3.19Å; Q69-M84 HydrophobicContact CB-CE 3.9Å; Q69-M84 HydrophobicContact CB-CG 4.34Å; Q69-M84 HydrophobicContact CB-SD 4.24Å; Q69-M84 HydrophobicContact CG-CE 4.08Å; Q69-M84 HydrophobicContact CG-SD 4.32Å; Q69-S86 PolarHBondContact OE1-OG 2.78Å; Q69-K89 PolarHBondContact NE2-O 2.85Å; Q69-G90 PolarHBondContact NE2-O 3.24Å; Q69-G90 VanDerWaalsContact NE2-O 3.14Å; Q69-T92 WeakPolarHBondContact CA-OG1 3.44Å |
| 70 | I | 98.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 131.8 | -179 | -52.6 | -49.7 | 0 | 0 | 0 | 110 | L54 Q56 M84 V85 S86 T92 Y106 | L54-I70 HydrophobicContact CD2-CG2 4.02Å; Q56-I70 HydrophobicContact CB-CD1 3.95Å; I70-M84 WeakPolarHBondContact O-CA 3.42Å; I70-V85 HydrophobicContact CB-CG2 3.96Å; I70-V85 HydrophobicContact CG2-CG2 3.55Å; I70-V85 PolarHBondContact O-N 3.12Å; I70-S86 PolarHBondContact N-OG 3.07Å; I70-S86 PolarHBondContact O-N 3.28Å; I70-T92 PolarHBondContact N-OG1 3.3Å; I70-Y106 HydrophobicContact CG1-CD1 4.36Å; I70-Y106 HydrophobicContact CG1-CD2 4.4Å; I70-Y106 HydrophobicContact CG1-CG 3.98Å |
| 71 | F | 98.2 | Very high | 93.2 | Very high | 5 Ų | 5 | 56.9 Ų | 56.9 | 2% | 0.022 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 148 | 178.5 | -68.3 | -96.4 | 0 | 0 | 0 | 111 | L54 F55 A57 K62 T64 Q69 P82 V83 M84 | L54-F71 CarbonylContact C-O 3.55Å; L54-F71 VanDerWaalsContact CA-O 3.28Å; L54-F71 WeakPolarHBondContact CA-O 3.27Å; F55-F71 HydrophobicContact CD1-CB 4.05Å; F55-F71 WeakPolarHBondContact CD1-O 3.48Å; F55-F71 HydrophobicContact CD2-CB 4.17Å; F55-F71 HydrophobicContact CE1-CB 3.61Å; F55-F71 HydrophobicContact CE2-CB 3.76Å; F55-F71 HydrophobicContact CE2-CD2 4.34Å; F55-F71 HydrophobicContact CE2-CG 4.2Å; F55-F71 HydrophobicContact CG-CB 4.34Å; F55-F71 HydrophobicContact CZ-CB 3.49Å; F55-F71 VanDerWaalsContact CZ-CB 3.49Å; F55-F71 HydrophobicContact CZ-CG 4.18Å; F55-F71 PolarHBondContact N-O 3.44Å; F55-F71 PolarHBondContact O-N 3.1Å; A57-F71 HydrophobicContact CB-CD2 3.82Å; A57-F71 HydrophobicContact CB-CE2 3.85Å; K62-F71 HydrophobicContact CB-CE1 3.89Å; K62-F71 HydrophobicContact CB-CZ 3.66Å; K62-F71 HydrophobicContact CD-CD1 4.43Å; K62-F71 HydrophobicContact CD-CE1 3.89Å; K62-F71 HydrophobicContact CD-CE2 4.4Å; K62-F71 HydrophobicContact CD-CZ 3.87Å; K62-F71 HydrophobicContact CG-CE1 4.37Å; K62-F71 HydrophobicContact CG-CZ 4.38Å; T64-F71 HydrophobicContact CG2-CE2 3.7Å; T64-F71 HydrophobicContact CG2-CZ 3.56Å; Q69-F71 HydrophobicContact CB-CE2 3.9Å; Q69-F71 HydrophobicContact CB-CZ 4.47Å; Q69-F71 VanDerWaalsContact O-CD2 3.3Å; Q69-F71 WeakPolarHBondContact O-CD2 3.19Å; F71-P82 HydrophobicContact CB-CB 4.28Å; F71-P82 HydrophobicContact CD1-CB 3.92Å; F71-P82 HydrophobicContact CG-CB 4.39Å; F71-V83 CarbonylContact C-O 3.57Å; F71-V83 VanDerWaalsContact CA-O 3.23Å; F71-V83 WeakPolarHBondContact CA-O 3.29Å; F71-M84 HydrophobicContact CD1-CB 4.03Å; F71-M84 HydrophobicContact CE1-CB 3.69Å; F71-M84 HydrophobicContact CE1-CE 4.2Å; F71-M84 HydrophobicContact CE1-CG 4.36Å; F71-M84 HydrophobicContact CE2-CE 4.4Å; F71-M84 HydrophobicContact CZ-CB 4.15Å; F71-M84 HydrophobicContact CZ-CE 3.65Å; F71-M84 HydrophobicContact CZ-CG 4.35Å |
| 72 | R | 97.4 | Very high | 93.7 | Very high | 51 Ų | 51 | 50.8 Ų | 50.8 | 19% | 0.192 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 139.5 | 170.3 | -174.4 | 175.8 | -179.3 | 149.7 | 5.5 | 109.8 | E52 I53 L54 P82 V83 V85 F97 N101 | E52-R72 VanDerWaalsContact CD-NH2 3.27Å; E52-R72 IonicContact OE1-CZ 3.66Å; E52-R72 IonicContact OE1-NE 3.97Å; E52-R72 PolarHBondContact OE1-NE 2.83Å; E52-R72 IonicContact OE1-NH2 3.22Å; E52-R72 PolarHBondContact OE1-NH2 3.24Å; E52-R72 IonicContact OE2-CZ 3.3Å; E52-R72 IonicContact OE2-NE 2.7Å; E52-R72 IonicContact OE2-NH2 2.79Å; E52-R72 PolarHBondContact OE2-NH2 3.21Å; I53-R72 CarbonylContact O-C 3.51Å; I53-R72 VanDerWaalsContact O-CA 3.3Å; I53-R72 WeakPolarHBondContact O-CA 3.31Å; L54-R72 HydrophobicContact CD2-CB 3.98Å; L54-R72 HydrophobicContact CD2-CG 4.39Å; R72-P82 WeakPolarHBondContact O-CA 3.21Å; R72-V83 PolarHBondContact N-O 3.27Å; R72-V83 PolarHBondContact O-N 2.87Å; R72-V85 HydrophobicContact CB-CG1 3.71Å; R72-F97 HydrophobicContact CG-CZ 4.43Å; R72-N101 PolarHBondContact NH2-O 3.08Å; R72-N101 VanDerWaalsContact NH2-O 3.14Å |
| 73 | L | 98.2 | Very high | 94.1 | Very high | 11 Ų | 11 | 52.8 Ų | 52.8 | 6% | 0.058 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 131.3 | 173.4 | 174.7 | 66.7 | 0 | 0 | 0 | 110.5 | L35 E52 I53 F55 A80 P82 | L35-L73 HydrophobicContact CB-CD2 4.27Å; L35-L73 HydrophobicContact CD1-CD2 4.44Å; E52-L73 CarbonylContact C-O 3.58Å; E52-L73 VanDerWaalsContact CA-O 3.25Å; E52-L73 WeakPolarHBondContact CA-O 3.29Å; I53-L73 HydrophobicContact CD1-CB 4.29Å; I53-L73 HydrophobicContact CD1-CD2 4.18Å; I53-L73 HydrophobicContact CG1-CB 3.84Å; I53-L73 PolarHBondContact N-O 3.14Å; I53-L73 PolarHBondContact O-N 2.61Å; F55-L73 HydrophobicContact CE1-CB 3.96Å; L73-A80 HydrophobicContact CD1-CB 3.96Å; L73-P82 HydrophobicContact CD1-CG 4.5Å |
| 74 | R | 97.9 | Very high | 94.6 | Very high | 125 Ų | 125 | 52.5 Ų | 52.5 | 47% | 0.472 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 132.4 | 171 | -63.1 | -169.6 | -58.3 | -166.5 | 3.6 | 110.6 | E52 D77 A80 | E52-R74 HydrophobicContact CG-CB 4.48Å; E52-R74 HydrophobicContact CG-CG 4.06Å; E52-R74 VanDerWaalsContact OE1-CG 3.32Å; E52-R74 WeakPolarHBondContact OE1-CG 3.44Å; R74-D77 HydrophobicContact CB-CB 4.38Å; R74-D77 IonicContact CZ-OD2 2.77Å; R74-D77 IonicContact NE-OD2 2.71Å; R74-D77 IonicContact NH2-OD2 3.87Å; R74-D77 PolarHBondContact NH2-OD2 3.05Å; R74-A80 HydrophobicContact CB-CB 3.89Å |
| 75 | L | 97.3 | Very high | 94.8 | Very high | 44 Ų | 44 | 53.6 Ų | 53.6 | 23% | 0.23 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -96.5 | -20.3 | -178.5 | -58.1 | -179.3 | 0 | 0 | 0 | 113.1 | L35 F46 K51 I53 D77 | L35-L75 HydrophobicContact CD1-CD2 3.7Å; F46-L75 HydrophobicContact CD1-CD1 3.86Å; F46-L75 HydrophobicContact CE1-CD1 3.43Å; F46-L75 VanDerWaalsContact CE1-CD1 3.43Å; K51-L75 VanDerWaalsContact O-CB 3.32Å; K51-L75 WeakPolarHBondContact O-CB 3.28Å; K51-L75 PolarHBondContact O-N 2.61Å; I53-L75 HydrophobicContact CD1-CD2 4.37Å; I53-L75 HydrophobicContact CG1-CD2 4.4Å; I53-L75 HydrophobicContact CG2-CD1 3.94Å; I53-L75 HydrophobicContact CG2-CD2 4.34Å; I53-L75 HydrophobicContact CG2-CG 4.34Å; L75-D77 VanDerWaalsContact C-N 3.33Å |
| 76 | D | 91.6 | Very high | 95.2 | Very high | 106 Ų | 106 | 52.4 Ų | 52.4 | 57% | 0.567 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -84.3 | -9.8 | 178.5 | 65 | -18.7 | 0 | 0 | 0 | 113.4 | ||
| 77 | D | 92.9 | Very high | 95.4 | Very high | 40 Ų | 40 | 51 Ų | 51 | 21% | 0.214 | 29% | 0.287 | C | S | . | . | trans | -114.6 | 102 | 176.9 | 175.7 | 8.3 | 0 | 0 | 0 | 110.3 | R74 L75 S79 A80 | R74-D77 HydrophobicContact CB-CB 4.38Å; R74-D77 IonicContact CZ-OD2 2.77Å; R74-D77 IonicContact NE-OD2 2.71Å; R74-D77 IonicContact NH2-OD2 3.87Å; R74-D77 PolarHBondContact NH2-OD2 3.05Å; L75-D77 VanDerWaalsContact C-N 3.33Å; D77-S79 PolarHBondContact O-N 3.45Å; D77-S79 WeakPolarHBondContact OD1-CA 3.22Å; D77-S79 WeakPolarHBondContact OD1-CB 3.49Å; D77-S79 PolarHBondContact OD1-N 3.4Å; D77-S79 PolarHBondContact OD1-OG 2.92Å; D77-S79 PolarHBondContact OD2-OG 3.05Å; D77-A80 HydrophobicContact CB-CB 3.96Å; D77-A80 WeakPolarHBondContact O-CB 3.41Å; D77-A80 PolarHBondContact O-N 3.3Å; D77-A80 PolarHBondContact OD1-N 2.81Å | ||
| 78 | P | 86.9 | Confident | 95.4 | Very high | 134 Ų | 134 | 52.9 Ų | 52.9 | 87% | 0.87 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -15.3 | 178.4 | -24 | 33.9 | 0 | 0 | 0 | 114.7 | ||
| 79 | S | 92 | Very high | 95.3 | Very high | 95 Ų | 95 | 55.1 Ų | 55.1 | 66% | 0.664 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -6 | 175.9 | 74.4 | 0 | 0 | 0 | 0 | 113.3 | D77 | D77-S79 PolarHBondContact O-N 3.45Å; D77-S79 WeakPolarHBondContact OD1-CA 3.22Å; D77-S79 WeakPolarHBondContact OD1-CB 3.49Å; D77-S79 PolarHBondContact OD1-N 3.4Å; D77-S79 PolarHBondContact OD1-OG 2.92Å; D77-S79 PolarHBondContact OD2-OG 3.05Å |
| 80 | A | 94.9 | Very high | 95.2 | Very high | 23 Ų | 23 | 55.1 Ų | 55.1 | 19% | 0.19 | 32% | 0.316 | C | S | . | . | trans | -63.7 | 139.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | L73 R74 D77 | L73-A80 HydrophobicContact CD1-CB 3.96Å; R74-A80 HydrophobicContact CB-CB 3.89Å; D77-A80 HydrophobicContact CB-CB 3.96Å; D77-A80 WeakPolarHBondContact O-CB 3.41Å; D77-A80 PolarHBondContact O-N 3.3Å; D77-A80 PolarHBondContact OD1-N 2.81Å | ||
| 81 | V | 93.7 | Very high | 95.1 | Very high | 102 Ų | 102 | 55.8 Ų | 55.8 | 62% | 0.618 | 32% | 0.318 | S | S | * | . | trans | -114.9 | 153.6 | 172.4 | -64.2 | 0 | 0 | 0 | 0 | 109.2 | V83 | V81-V83 PolarHBondContact O-N 3.36Š| ||
| 82 | P | 96 | Very high | 95.1 | Very high | 40 Ų | 40 | 55.5 Ų | 55.5 | 26% | 0.26 | 32% | 0.317 | S | S | . | . | trans | -55 | 129.9 | 173.8 | -30.3 | 38.5 | 0 | 0 | 0 | 112.9 | F55 F71 R72 L73 | F55-P82 HydrophobicContact CE1-CB 4.2Å; F55-P82 HydrophobicContact CE1-CG 4.34Å; F55-P82 HydrophobicContact CZ-CB 3.63Å; F55-P82 HydrophobicContact CZ-CG 3.72Å; F71-P82 HydrophobicContact CB-CB 4.28Å; F71-P82 HydrophobicContact CD1-CB 3.92Å; F71-P82 HydrophobicContact CG-CB 4.39Å; R72-P82 WeakPolarHBondContact O-CA 3.21Å; L73-P82 HydrophobicContact CD1-CG 4.5Å | ||
| 83 | V | 95.5 | Very high | 95.2 | Very high | 89 Ų | 89 | 53.8 Ų | 53.8 | 54% | 0.539 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 125.2 | 175.4 | 179.9 | 0 | 0 | 0 | 0 | 108.7 | F71 R72 V81 V85 | F71-V83 CarbonylContact C-O 3.57Å; F71-V83 VanDerWaalsContact CA-O 3.23Å; F71-V83 WeakPolarHBondContact CA-O 3.29Å; R72-V83 PolarHBondContact N-O 3.27Å; R72-V83 PolarHBondContact O-N 2.87Å; V81-V83 PolarHBondContact O-N 3.36Å; V83-V85 PolarHBondContact O-N 3.31Å |
| 84 | M | 95.9 | Very high | 95.2 | Very high | 56 Ų | 56 | 53.7 Ų | 53.7 | 28% | 0.276 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 128.6 | 173.9 | -172.4 | -176.6 | -67.7 | 0 | 0 | 109.1 | T64 Q69 I70 F71 S86 | T64-M84 HydrophobicContact CG2-CE 3.92Å; Q69-M84 HydrophobicContact CB-CE 3.9Å; Q69-M84 HydrophobicContact CB-CG 4.34Å; Q69-M84 HydrophobicContact CB-SD 4.24Å; Q69-M84 HydrophobicContact CG-CE 4.08Å; Q69-M84 HydrophobicContact CG-SD 4.32Å; I70-M84 WeakPolarHBondContact O-CA 3.42Å; F71-M84 HydrophobicContact CD1-CB 4.03Å; F71-M84 HydrophobicContact CE1-CB 3.69Å; F71-M84 HydrophobicContact CE1-CE 4.2Å; F71-M84 HydrophobicContact CE1-CG 4.36Å; F71-M84 HydrophobicContact CE2-CE 4.4Å; F71-M84 HydrophobicContact CZ-CB 4.15Å; F71-M84 HydrophobicContact CZ-CE 3.65Å; F71-M84 HydrophobicContact CZ-CG 4.35Å; M84-S86 WeakPolarHBondContact CG-O 3.47Å |
| 85 | V | 96.5 | Very high | 95.2 | Very high | 37 Ų | 37 | 47.8 Ų | 47.8 | 22% | 0.224 | 29% | 0.291 | C | S | . | . | trans | -110.4 | -24.3 | 177.3 | -63.4 | 0 | 0 | 0 | 0 | 112.3 | L54 I70 R72 V83 L104 | L54-V85 HydrophobicContact CD2-CG2 3.97Å; I70-V85 HydrophobicContact CB-CG2 3.96Å; I70-V85 HydrophobicContact CG2-CG2 3.55Å; I70-V85 PolarHBondContact O-N 3.12Å; R72-V85 HydrophobicContact CB-CG1 3.71Å; V83-V85 PolarHBondContact O-N 3.31Å; V85-L104 HydrophobicContact CG2-CD2 4.4Å | ||
| 86 | S | 96.3 | Very high | 95.3 | Very high | 8 Ų | 8 | 46.2 Ų | 46.2 | 6% | 0.056 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -72.3 | 167.8 | 166.6 | 58.3 | 0 | 0 | 0 | 0 | 111.3 | Q69 I70 M84 G88 | Q69-S86 PolarHBondContact OE1-OG 2.78Å; I70-S86 PolarHBondContact N-OG 3.07Å; I70-S86 PolarHBondContact O-N 3.28Å; M84-S86 WeakPolarHBondContact CG-O 3.47Å; S86-G88 VanDerWaalsContact C-N 3.34Å; S86-G88 PolarHBondContact O-N 3.26Å |
| 87 | N | 93.8 | Very high | 95.6 | Very high | 68 Ų | 68 | 41.1 Ų | 41.1 | 36% | 0.364 | 26% | 0.255 | S | S | . | . | trans | -86.4 | 6.8 | -170 | 66.4 | 5.8 | 0 | 0 | 0 | 115.2 | K89 | N87-K89 PolarHBondContact O-N 3.1Å; N87-K89 WeakPolarHBondContact OD1-CB 3.5Å; N87-K89 PolarHBondContact OD1-N 2.75Å | ||
| 88 | G | 93.8 | Very high | 95.9 | Very high | 45 Ų | 45 | 39.2 Ų | 39.2 | 46% | 0.464 | 24% | 0.244 | S | C | . | . | S | Bend | trans | 74.9 | 5.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | S86 | S86-G88 VanDerWaalsContact C-N 3.34Å; S86-G88 PolarHBondContact O-N 3.26Å |
| 89 | K | 95.4 | Very high | 96.3 | Very high | 77 Ų | 77 | 36.4 Ų | 36.4 | 34% | 0.335 | 22% | 0.222 | S | C | . | . | trans | -112.3 | 154.5 | -177.1 | -59.9 | 175.9 | 173.3 | -167.2 | 0 | 111.4 | Q69 N87 F110 E114 | Q69-K89 PolarHBondContact NE2-O 2.85Å; N87-K89 PolarHBondContact O-N 3.1Å; N87-K89 WeakPolarHBondContact OD1-CB 3.5Å; N87-K89 PolarHBondContact OD1-N 2.75Å; K89-F110 HydrophobicContact CB-CB 3.73Å; K89-E114 HydrophobicContact CB-CB 4.26Å; K89-E114 HydrophobicContact CD-CB 4.21Å; K89-E114 HydrophobicContact CD-CG 3.98Å; K89-E114 WeakPolarHBondContact CE-OE2 3.43Å; K89-E114 HydrophobicContact CG-CB 4.4Å; K89-E114 IonicContact NZ-OE1 3.75Å; K89-E114 PolarHBondContact NZ-OE1 2.87Å; K89-E114 IonicContact NZ-OE2 3.59Å; K89-E114 PolarHBondContact NZ-OE2 3.27Å | ||
| 90 | G | 96.3 | Very high | 96.5 | Very high | 2 Ų | 2 | 34.3 Ų | 34.3 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | S | Bend | trans | 56 | -164.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | C67 Q69 T109 E114 | C67-G90 WeakPolarHBondContact CB-O 3.29Å; C67-G90 PolarHBondContact SG-O 3.19Å; C67-G90 VanDerWaalsContact SG-O 3.35Å; Q69-G90 PolarHBondContact NE2-O 3.24Å; Q69-G90 VanDerWaalsContact NE2-O 3.14Å; G90-T109 WeakPolarHBondContact CA-OG1 3.35Å; G90-E114 PolarHBondContact N-O 2.93Å |
| 91 | R | 97.4 | Very high | 96.6 | Very high | 13 Ų | 13 | 34.8 Ų | 34.8 | 5% | 0.049 | 20% | 0.203 | C | C | . | . | trans | -95.7 | 138.9 | 163.5 | -165.8 | 172 | -76.1 | -91 | -5.2 | 108.7 | E66 D68 T108 T109 P117 H119 Y144 | E66-R91 PolarHBondContact O-NH2 3.16Å; D68-R91 HydrophobicContact CB-CG 4.34Å; D68-R91 IonicContact OD2-CZ 2.7Å; D68-R91 IonicContact OD2-NH1 3.57Å; D68-R91 PolarHBondContact OD2-NH1 2.62Å; R91-T108 VanDerWaalsContact O-CA 3.27Å; R91-T108 WeakPolarHBondContact O-CA 3.3Å; R91-T108 PolarHBondContact O-OG1 2.9Å; R91-T109 HydrophobicContact CB-CG2 4.39Å; R91-T109 PolarHBondContact N-OG1 2.89Å; R91-T109 PolarHBondContact O-N 2.9Å; R91-P117 HydrophobicContact CB-CG 3.78Å; R91-H119 PolarHBondContact NH2-CE1 3.27Å; R91-Y144 HydrophobicContact CB-CE1 4.38Å; R91-Y144 WeakPolarHBondContact CD-OH 3.42Å; R91-Y144 WeakPolarHBondContact CG-OH 3.29Å | ||
| 92 | T | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 138.8 | 174.9 | 65.7 | 0 | 0 | 0 | 0 | 110 | D68 Q69 I70 Y106 S107 T108 | D68-T92 CarbonylContact C-O 3.53Å; D68-T92 VanDerWaalsContact CB-O 3.25Å; D68-T92 WeakPolarHBondContact CB-O 3.32Å; D68-T92 PolarHBondContact O-N 3.39Å; D68-T92 VanDerWaalsContact O-O 3.14Å; D68-T92 PolarHBondContact O-OG1 3.18Å; Q69-T92 WeakPolarHBondContact CA-OG1 3.44Å; I70-T92 PolarHBondContact N-OG1 3.3Å; T92-Y106 HydrophobicContact CG2-CD2 4.25Å; T92-Y106 HydrophobicContact CG2-CE2 4.13Å; T92-S107 CarbonylContact C-O 3.59Å; T92-S107 WeakPolarHBondContact CA-O 3.35Å; T92-T108 WeakPolarHBondContact CG2-OG1 3.4Å |
| 93 | T | 98 | Very high | 96.8 | Very high | 14 Ų | 14 | 38 Ų | 38 | 9% | 0.086 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 172.2 | -171.9 | -173.5 | 0 | 0 | 0 | 0 | 111.4 | Q56 S95 S107 Y144 | Q56-T93 PolarHBondContact OE1-OG1 3.14Å; T93-S95 PolarHBondContact O-N 2.81Å; T93-S107 PolarHBondContact N-O 2.78Å; T93-S107 PolarHBondContact O-N 2.66Å; T93-Y144 HydrophobicContact CG2-CD1 4.2Å; T93-Y144 HydrophobicContact CG2-CE1 3.57Å; T93-Y144 HydrophobicContact CG2-CE2 4.42Å |
| 94 | C | 98.2 | Very high | 97 | Very high | 10 Ų | 10 | 33.8 Ų | 33.8 | 7% | 0.068 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 54.9 | 52.2 | 164.7 | -60.4 | 0 | 0 | 0 | 0 | 113.8 | E43 E167 | E43-C94 WeakPolarHBondContact OE2-CA 3.37Å; E43-C94 PolarHBondContact OE2-N 2.65Å; E43-C94 VanDerWaalsContact OE2-N 3.14Å; E43-C94 PolarHBondContact OE2-SG 3.4Å; E43-C94 VanDerWaalsContact OE2-SG 3.38Å; C94-E167 VanDerWaalsContact SG-CA 3.54Å |
| 95 | S | 98.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.007 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 140.4 | -180 | 56.9 | 0 | 0 | 0 | 0 | 112.7 | Y45 L54 T93 I105 | Y45-S95 WeakPolarHBondContact CD2-O 3.19Å; L54-S95 WeakPolarHBondContact CB-OG 3.22Å; T93-S95 PolarHBondContact O-N 2.81Å; S95-I105 CarbonylContact C-O 3.55Å; S95-I105 WeakPolarHBondContact CA-O 3.35Å |
| 96 | F | 98.8 | Very high | 97.2 | Very high | 10 Ų | 10 | 29.5 Ų | 29.5 | 4% | 0.044 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 143.5 | 176.2 | -152.3 | -99.1 | 0 | 0 | 0 | 111.8 | Y45 F48 L104 I105 V169 V170 F213 M326 | Y45-F96 AromaticContact CD2-CD2 3.86Å; Y45-F96 HydrophobicContact CD2-CD2 3.86Å; Y45-F96 HydrophobicContact CD2-CE2 4.32Å; Y45-F96 HydrophobicContact CG-CD2 4.09Å; Y45-F96 HydrophobicContact CG-CE2 4.14Å; F48-F96 HydrophobicContact CE2-CE1 4.09Å; F48-F96 HydrophobicContact CZ-CE1 4.39Å; F96-L104 CarbonylContact O-C 3.53Å; F96-L104 VanDerWaalsContact O-CA 3.28Å; F96-L104 WeakPolarHBondContact O-CA 3.48Å; F96-I105 HydrophobicContact CB-CD1 4.3Å; F96-I105 HydrophobicContact CB-CG1 3.94Å; F96-I105 PolarHBondContact N-O 2.62Å; F96-I105 PolarHBondContact O-N 3.48Å; F96-V169 HydrophobicContact CD1-CG1 4.26Å; F96-V169 HydrophobicContact CD2-CG1 4.19Å; F96-V169 HydrophobicContact CD2-CG2 4.32Å; F96-V169 HydrophobicContact CE1-CG1 4.03Å; F96-V169 HydrophobicContact CE2-CG1 3.98Å; F96-V169 HydrophobicContact CG-CG1 4.33Å; F96-V169 HydrophobicContact CZ-CG1 3.89Å; F96-V170 HydrophobicContact CD1-CB 3.79Å; F96-V170 HydrophobicContact CD1-CG2 4Å; F96-V170 HydrophobicContact CE1-CB 4.09Å; F96-F213 HydrophobicContact CE2-CE1 4.07Å; F96-M326 HydrophobicContact CE2-CE 4.34Å; F96-M326 HydrophobicContact CZ-CE 4.27Å |
| 97 | F | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 154.2 | 176.7 | -79.4 | -77.9 | 0 | 0 | 0 | 111.7 | S47 F48 E52 L54 R72 | S47-F97 VanDerWaalsContact N-CD2 3.32Å; F48-F97 HydrophobicContact CD2-CB 4.31Å; F48-F97 WeakPolarHBondContact CE2-O 3.5Å; E52-F97 HydrophobicContact CB-CE2 4.47Å; E52-F97 HydrophobicContact CB-CZ 4.04Å; L54-F97 HydrophobicContact CB-CD2 4.43Å; L54-F97 HydrophobicContact CB-CE2 4.12Å; L54-F97 HydrophobicContact CD1-CD1 3.88Å; L54-F97 HydrophobicContact CD1-CD2 3.69Å; L54-F97 HydrophobicContact CD1-CE1 3.96Å; L54-F97 HydrophobicContact CD1-CE2 3.82Å; L54-F97 HydrophobicContact CD1-CG 3.76Å; L54-F97 HydrophobicContact CD1-CZ 3.95Å; L54-F97 HydrophobicContact CD2-CZ 4.25Å; L54-F97 HydrophobicContact CG-CD1 4.42Å; L54-F97 HydrophobicContact CG-CD2 3.86Å; L54-F97 HydrophobicContact CG-CE1 4.04Å; L54-F97 HydrophobicContact CG-CE2 3.48Å; L54-F97 VanDerWaalsContact CG-CE2 3.48Å; L54-F97 HydrophobicContact CG-CG 4.36Å; L54-F97 HydrophobicContact CG-CZ 3.57Å; R72-F97 HydrophobicContact CG-CZ 4.43Å |
| 98 | L | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | trans | -87.7 | 162.4 | 158.1 | -85.3 | 72.1 | 0 | 0 | 0 | 110.3 | D100 N101 R103 I105 M148 V170 I194 | L98-D100 PolarHBondContact O-N 3.45Å; L98-N101 PolarHBondContact O-N 2.58Å; L98-R103 HydrophobicContact CB-CB 3.95Å; L98-R103 HydrophobicContact CD1-CB 4.24Å; L98-R103 HydrophobicContact CD2-CB 3.87Å; L98-R103 VanDerWaalsContact CD2-CZ 3.43Å; L98-R103 HydrophobicContact CG-CB 4.22Å; L98-R103 PolarHBondContact N-O 2.93Å; L98-I105 HydrophobicContact CD1-CG2 3.95Å; L98-M148 HydrophobicContact CD1-CE 4.29Å; L98-M148 HydrophobicContact CD2-CE 3.69Å; L98-M148 HydrophobicContact CD2-SD 3.91Å; L98-V170 HydrophobicContact CD1-CG2 4.07Å; L98-V170 HydrophobicContact CG-CG2 4.31Å; L98-I194 HydrophobicContact CD2-CD1 4.05Å; L98-I194 HydrophobicContact CD2-CG1 4.01Å; L98-I194 HydrophobicContact CG-CD1 4.1Å | ||
| 99 | N | 95.6 | Very high | 97.7 | Very high | 74 Ų | 74 | 23.8 Ų | 23.8 | 40% | 0.396 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -10.5 | -175.9 | 68.7 | -8.1 | 0 | 0 | 0 | 115.2 | F48 N101 | F48-N99 HydrophobicContact CD1-CB 3.79Å; F48-N99 HydrophobicContact CD2-CB 4.32Å; F48-N99 HydrophobicContact CE1-CB 3.8Å; F48-N99 HydrophobicContact CE2-CB 4.36Å; F48-N99 HydrophobicContact CG-CB 4.05Å; F48-N99 HydrophobicContact CZ-CB 4.1Å; N99-N101 VanDerWaalsContact C-N 3.3Å |
| 100 | D | 96.7 | Very high | 97.7 | Very high | 51 Ų | 51 | 21.6 Ų | 21.6 | 27% | 0.273 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -2 | 171.5 | 62.9 | 31.5 | 0 | 0 | 0 | 113.8 | L98 R102 R103 | L98-D100 PolarHBondContact O-N 3.45Å; D100-R102 PolarHBondContact O-N 2.91Å; D100-R102 PolarHBondContact OD1-N 3.08Å; D100-R103 PolarHBondContact OD1-N 2.8Å; D100-R103 IonicContact OD2-CZ 3.9Å; D100-R103 VanDerWaalsContact OD2-CZ 3.24Å; D100-R103 IonicContact OD2-NE 3.78Å; D100-R103 PolarHBondContact OD2-NE 3.08Å; D100-R103 IonicContact OD2-NH2 3.14Å; D100-R103 PolarHBondContact OD2-NH2 3.22Å |
| 101 | N | 97 | Very high | 97.6 | Very high | 33 Ų | 33 | 24.4 Ų | 24.4 | 18% | 0.176 | 11% | 0.111 | C | C | . | . | S | Bend | trans | 58.6 | 11.6 | -179.1 | -54.2 | -65.6 | 0 | 0 | 0 | 114.8 | S47 F48 D49 R72 L98 N99 | S47-N101 WeakPolarHBondContact CB-OD1 3.15Å; F48-N101 WeakPolarHBondContact CA-OD1 3.15Å; F48-N101 WeakPolarHBondContact CB-OD1 3.43Å; F48-N101 PolarHBondContact N-OD1 3.36Å; D49-N101 PolarHBondContact N-OD1 2.94Å; D49-N101 VanDerWaalsContact N-OD1 3.07Å; R72-N101 PolarHBondContact NH2-O 3.08Å; R72-N101 VanDerWaalsContact NH2-O 3.14Å; L98-N101 PolarHBondContact O-N 2.58Å; N99-N101 VanDerWaalsContact C-N 3.3Å |
| 102 | R | 96.6 | Very high | 97.4 | Very high | 136 Ų | 136 | 27.3 Ų | 27.3 | 51% | 0.513 | 13% | 0.125 | S | C | . | . | S | Bend | trans | -112.3 | -56.1 | 179 | -177.1 | -178.9 | 70.5 | -117.8 | -0.7 | 110.4 | D100 D150 G151 | D100-R102 PolarHBondContact O-N 2.91Å; D100-R102 PolarHBondContact OD1-N 3.08Å; R102-D150 PolarHBondContact NE-O 3.43Å; R102-G151 WeakPolarHBondContact O-CA 3.49Å |
| 103 | R | 98.3 | Very high | 97.2 | Very high | 73 Ų | 73 | 31.7 Ų | 31.7 | 28% | 0.275 | 15% | 0.149 | S | C | . | . | trans | -75.3 | 154.5 | 178.5 | -66.4 | -174.4 | -71.9 | 155.1 | 4.5 | 110.1 | L98 D100 D149 | L98-R103 HydrophobicContact CB-CB 3.95Å; L98-R103 HydrophobicContact CD1-CB 4.24Å; L98-R103 HydrophobicContact CD2-CB 3.87Å; L98-R103 VanDerWaalsContact CD2-CZ 3.43Å; L98-R103 HydrophobicContact CG-CB 4.22Å; L98-R103 PolarHBondContact N-O 2.93Å; D100-R103 PolarHBondContact OD1-N 2.8Å; D100-R103 IonicContact OD2-CZ 3.9Å; D100-R103 VanDerWaalsContact OD2-CZ 3.24Å; D100-R103 IonicContact OD2-NE 3.78Å; D100-R103 PolarHBondContact OD2-NE 3.08Å; D100-R103 IonicContact OD2-NH2 3.14Å; D100-R103 PolarHBondContact OD2-NH2 3.22Å; R103-D149 WeakPolarHBondContact CA-O 3.37Å; R103-D149 WeakPolarHBondContact CB-O 2.96Å | ||
| 104 | L | 98.5 | Very high | 97.1 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 156.2 | 179.8 | 57.5 | 97.4 | 0 | 0 | 0 | 110 | L54 V85 F96 Y106 M148 D149 | L54-L104 HydrophobicContact CD1-CB 3.57Å; L54-L104 HydrophobicContact CD1-CD2 4.17Å; L54-L104 HydrophobicContact CD1-CG 4.3Å; L54-L104 HydrophobicContact CD2-CD2 4.11Å; V85-L104 HydrophobicContact CG2-CD2 4.4Å; F96-L104 CarbonylContact O-C 3.53Å; F96-L104 VanDerWaalsContact O-CA 3.28Å; F96-L104 WeakPolarHBondContact O-CA 3.48Å; L104-Y106 HydrophobicContact CD1-CD1 3.47Å; L104-Y106 VanDerWaalsContact CD1-CD1 3.47Å; L104-Y106 HydrophobicContact CD1-CE1 3.77Å; L104-M148 CarbonylContact O-C 3.4Å; L104-M148 WeakPolarHBondContact O-CA 3.24Å; L104-D149 HydrophobicContact CD1-CB 3.78Å; L104-D149 HydrophobicContact CG-CB 3.96Å; L104-D149 PolarHBondContact N-O 3.05Å; L104-D149 VanDerWaalsContact N-O 3.16Å; L104-D149 PolarHBondContact O-N 2.7Å |
| 105 | I | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 155 | 168.4 | 56 | 170.3 | 0 | 0 | 0 | 109.7 | S95 F96 L98 I146 V147 M148 L158 V170 I177 | S95-I105 CarbonylContact C-O 3.55Å; S95-I105 WeakPolarHBondContact CA-O 3.35Å; F96-I105 HydrophobicContact CB-CD1 4.3Å; F96-I105 HydrophobicContact CB-CG1 3.94Å; F96-I105 PolarHBondContact N-O 2.62Å; F96-I105 PolarHBondContact O-N 3.48Å; L98-I105 HydrophobicContact CD1-CG2 3.95Å; I105-I146 HydrophobicContact CB-CG2 4.3Å; I105-V147 WeakPolarHBondContact CA-O 3.41Å; I105-M148 HydrophobicContact CG2-CB 4.1Å; I105-M148 HydrophobicContact CG2-CE 4.27Å; I105-M148 HydrophobicContact CG2-CG 4.32Å; I105-L158 HydrophobicContact CG2-CD1 4Å; I105-V170 HydrophobicContact CD1-CG2 3.88Å; I105-V170 HydrophobicContact CG1-CG2 4.26Å; I105-I177 HydrophobicContact CD1-CD1 4.27Å; I105-I177 HydrophobicContact CD1-CG1 4.32Å; I105-I177 HydrophobicContact CD1-CG2 3.94Å; I105-I177 HydrophobicContact CG2-CD1 4.24Å |
| 106 | Y | 98.7 | Very high | 96.8 | Very high | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 163.1 | 163.3 | 56.4 | -95 | 0 | 0 | 0 | 109.5 | I70 T92 L104 T108 V147 D149 L155 | I70-Y106 HydrophobicContact CG1-CD1 4.36Å; I70-Y106 HydrophobicContact CG1-CD2 4.4Å; I70-Y106 HydrophobicContact CG1-CG 3.98Å; T92-Y106 HydrophobicContact CG2-CD2 4.25Å; T92-Y106 HydrophobicContact CG2-CE2 4.13Å; L104-Y106 HydrophobicContact CD1-CD1 3.47Å; L104-Y106 VanDerWaalsContact CD1-CD1 3.47Å; L104-Y106 HydrophobicContact CD1-CE1 3.77Å; Y106-T108 HydrophobicContact CD2-CG2 4.35Å; Y106-T108 HydrophobicContact CE2-CG2 3.99Å; Y106-V147 HydrophobicContact CD1-CG2 4.3Å; Y106-V147 HydrophobicContact CD2-CG2 3.59Å; Y106-V147 HydrophobicContact CE1-CG2 4.02Å; Y106-V147 HydrophobicContact CE2-CG2 3.24Å; Y106-V147 HydrophobicContact CG-CG2 4.1Å; Y106-V147 VanDerWaalsContact CZ-CG2 3.48Å; Y106-V147 PolarHBondContact N-O 2.81Å; Y106-V147 WeakPolarHBondContact O-CG2 3.32Å; Y106-V147 PolarHBondContact O-N 2.88Å; Y106-D149 HydrophobicContact CE1-CB 4.23Å; Y106-L155 HydrophobicContact CE1-CD2 4.47Å; Y106-L155 WeakPolarHBondContact OH-CD2 3.34Å |
| 107 | S | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 140 | 176.5 | -51.8 | 0 | 0 | 0 | 0 | 109.9 | T92 T93 D145 A166 | T92-S107 CarbonylContact C-O 3.59Å; T92-S107 WeakPolarHBondContact CA-O 3.35Å; T93-S107 PolarHBondContact N-O 2.78Å; T93-S107 PolarHBondContact O-N 2.66Å; S107-D145 CarbonylContact C-O 3.54Å; S107-D145 VanDerWaalsContact CA-O 3.3Å; S107-D145 WeakPolarHBondContact CA-O 3.25Å; S107-A166 WeakPolarHBondContact OG-CA 2.94Å; S107-A166 WeakPolarHBondContact OG-CB 3.4Å |
| 108 | T | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 149.7 | -177.1 | -171.9 | 0 | 0 | 0 | 0 | 115.3 | R91 T92 Y106 F110 D145 V147 | R91-T108 VanDerWaalsContact O-CA 3.27Å; R91-T108 WeakPolarHBondContact O-CA 3.3Å; R91-T108 PolarHBondContact O-OG1 2.9Å; T92-T108 WeakPolarHBondContact CG2-OG1 3.4Å; Y106-T108 HydrophobicContact CD2-CG2 4.35Å; Y106-T108 HydrophobicContact CE2-CG2 3.99Å; T108-F110 HydrophobicContact CG2-CD1 3.37Å; T108-F110 HydrophobicContact CG2-CE1 3.51Å; T108-F110 HydrophobicContact CG2-CG 4.48Å; T108-F110 VanDerWaalsContact OG1-CD1 3.28Å; T108-F110 WeakPolarHBondContact OG1-CD1 3.37Å; T108-F110 PolarHBondContact OG1-N 2.87Å; T108-D145 PolarHBondContact N-O 3.05Å; T108-D145 PolarHBondContact O-N 3.38Å; T108-D145 VanDerWaalsContact O-N 3.14Å; T108-V147 HydrophobicContact CG2-CG1 3.97Å; T108-V147 HydrophobicContact CG2-CG2 3.94Å |
| 109 | T | 97.4 | Very high | 96.2 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | trans | -96.4 | -4.7 | 175.7 | 74 | 0 | 0 | 0 | 0 | 114.5 | G90 R91 H111 H112 N113 P117 F141 D143 Y144 | G90-T109 WeakPolarHBondContact CA-OG1 3.35Å; R91-T109 HydrophobicContact CB-CG2 4.39Å; R91-T109 PolarHBondContact N-OG1 2.89Å; R91-T109 PolarHBondContact O-N 2.9Å; T109-H111 PolarHBondContact O-N 2.88Å; T109-H112 PolarHBondContact O-N 2.81Å; T109-N113 PolarHBondContact O-N 2.89Å; T109-N113 VanDerWaalsContact O-N 3.08Å; T109-P117 HydrophobicContact CG2-CG 4.31Å; T109-F141 HydrophobicContact CG2-CD2 4.47Å; T109-D143 VanDerWaalsContact CA-O 3.32Å; T109-D143 WeakPolarHBondContact CA-O 3.45Å; T109-D143 HydrophobicContact CG2-CB 3.94Å; T109-Y144 HydrophobicContact CG2-CD1 3.63Å; T109-Y144 HydrophobicContact CG2-CD2 4.31Å; T109-Y144 HydrophobicContact CG2-CE1 3.69Å; T109-Y144 HydrophobicContact CG2-CE2 4.4Å; T109-Y144 HydrophobicContact CG2-CG 3.97Å | ||
| 110 | F | 95.7 | Very high | 96.2 | Very high | 32 Ų | 32 | 45.9 Ų | 45.9 | 14% | 0.14 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -28.8 | -162.3 | 81.4 | -103.7 | 0 | 0 | 0 | 114.1 | K89 T108 N113 E114 L155 F157 | K89-F110 HydrophobicContact CB-CB 3.73Å; T108-F110 HydrophobicContact CG2-CD1 3.37Å; T108-F110 HydrophobicContact CG2-CE1 3.51Å; T108-F110 HydrophobicContact CG2-CG 4.48Å; T108-F110 VanDerWaalsContact OG1-CD1 3.28Å; T108-F110 WeakPolarHBondContact OG1-CD1 3.37Å; T108-F110 PolarHBondContact OG1-N 2.87Å; F110-N113 WeakPolarHBondContact CA-O 3.47Å; F110-N113 CarbonylContact O-C 3.53Å; F110-N113 VanDerWaalsContact O-C 3.24Å; F110-E114 PolarHBondContact O-N 2.8Å; F110-L155 HydrophobicContact CE1-CD1 3.63Å; F110-L155 HydrophobicContact CZ-CD1 3.59Å; F110-F157 HydrophobicContact CE1-CZ 4.31Å; F110-F157 HydrophobicContact CZ-CE2 4.38Å; F110-F157 AromaticContact CZ-CZ 3.91Å; F110-F157 HydrophobicContact CZ-CZ 3.91Å |
| 111 | H | 94.3 | Very high | 96.1 | Very high | 60 Ų | 60 | 45.9 Ų | 45.9 | 28% | 0.278 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -24.7 | -173.4 | 73.5 | -71.2 | 0 | 0 | 0 | 112.9 | T109 D145 F157 | T109-H111 PolarHBondContact O-N 2.88Å; H111-D145 IonicContact CE1-OD2 2.69Å; H111-D145 PolarHBondContact CE1-OD2 3.14Å; H111-D145 IonicContact NE2-OD2 3.91Å; H111-D145 PolarHBondContact NE2-OD2 3.31Å; H111-D145 VanDerWaalsContact NE2-OD2 3.11Å; H111-F157 HydrophobicContact CB-CE1 4.09Å; H111-F157 HydrophobicContact CB-CZ 3.6Å; H111-F157 AromaticContact CD2-CE1 3.77Å; H111-F157 AromaticContact CE1-CE1 3.61Å; H111-F157 AromaticContact CG-CE1 3.48Å; H111-F157 VanDerWaalsContact CG-CE1 3.48Å; H111-F157 AromaticContact CG-CZ 3.54Å; H111-F157 AromaticContact ND1-CE1 3.39Å; H111-F157 WeakPolarHBondContact ND1-CE1 3.47Å; H111-F157 AromaticContact ND1-CZ 3.82Å; H111-F157 AromaticContact NE2-CE1 3.82Å |
| 112 | H | 93.3 | Very high | 96 | Very high | 75 Ų | 75 | 50.2 Ų | 50.2 | 35% | 0.347 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -44.3 | 166.2 | -66.1 | -70.4 | 0 | 0 | 0 | 110.6 | T109 D143 D145 | T109-H112 PolarHBondContact O-N 2.81Å; H112-D143 HydrophobicContact CB-CB 4.03Å; H112-D143 PolarHBondContact CD2-O 2.85Å; H112-D143 IonicContact CG-OD1 2.7Å; H112-D145 IonicContact CD2-OD2 3.99Å; H112-D145 IonicContact NE2-OD2 3.72Å; H112-D145 PolarHBondContact NE2-OD2 2.66Å; H112-D145 VanDerWaalsContact NE2-OD2 3.08Å |
| 113 | N | 93.6 | Very high | 95.9 | Very high | 92 Ų | 92 | 46.1 Ų | 46.1 | 49% | 0.492 | 23% | 0.234 | S | C | . | . | trans | -151.5 | 122.5 | 177.2 | -165.4 | -19.4 | 0 | 0 | 0 | 111.8 | T109 F110 A115 | T109-N113 PolarHBondContact O-N 2.89Å; T109-N113 VanDerWaalsContact O-N 3.08Å; F110-N113 WeakPolarHBondContact CA-O 3.47Å; F110-N113 CarbonylContact O-C 3.53Å; F110-N113 VanDerWaalsContact O-C 3.24Å; N113-A115 PolarHBondContact O-N 3.08Å; N113-A115 VanDerWaalsContact OD1-CB 3.28Å; N113-A115 WeakPolarHBondContact OD1-CB 3.25Å; N113-A115 PolarHBondContact OD1-N 2.82Å | ||
| 114 | E | 95.2 | Very high | 95.7 | Very high | 114 Ų | 114 | 53.2 Ų | 53.2 | 53% | 0.533 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -67.9 | -20.5 | 177.5 | -57.2 | -164.7 | 160.7 | 0 | 0 | 112.7 | K89 G90 F110 | K89-E114 HydrophobicContact CB-CB 4.26Å; K89-E114 HydrophobicContact CD-CB 4.21Å; K89-E114 HydrophobicContact CD-CG 3.98Å; K89-E114 WeakPolarHBondContact CE-OE2 3.43Å; K89-E114 HydrophobicContact CG-CB 4.4Å; K89-E114 IonicContact NZ-OE1 3.75Å; K89-E114 PolarHBondContact NZ-OE1 2.87Å; K89-E114 IonicContact NZ-OE2 3.59Å; K89-E114 PolarHBondContact NZ-OE2 3.27Å; G90-E114 PolarHBondContact N-O 2.93Å; F110-E114 PolarHBondContact O-N 2.8Å |
| 115 | A | 95.6 | Very high | 95.4 | Very high | 53 Ų | 53 | 58 Ų | 58 | 44% | 0.438 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -73.9 | 150.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | N113 P117 | N113-A115 PolarHBondContact O-N 3.08Å; N113-A115 VanDerWaalsContact OD1-CB 3.28Å; N113-A115 WeakPolarHBondContact OD1-CB 3.25Å; N113-A115 PolarHBondContact OD1-N 2.82Å; A115-P117 VanDerWaalsContact O-CD 3.32Å; A115-P117 WeakPolarHBondContact O-CD 3.32Å |
| 116 | C | 95 | Very high | 95.3 | Very high | 51 Ų | 51 | 59.7 Ų | 59.7 | 35% | 0.345 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -64 | 118 | 174.6 | -171.1 | 0 | 0 | 0 | 0 | 110.4 | C67 L118 | C67-C116 VanDerWaalsContact CA-SG 3.56Å; C67-C116 HydrophobicContact CB-CB 3.88Å; C67-C116 WeakPolarHBondContact CB-SG 3.44Å; C67-C116 WeakPolarHBondContact SG-CA 3.32Å; C67-C116 WeakPolarHBondContact SG-CB 3.47Å; C67-C116 CovalentContact SG-SG 2.02Å; C67-C116 PolarHBondContact SG-SG 3.08Å; C116-L118 PolarHBondContact O-N 3.3Å |
| 117 | P | 95.4 | Very high | 95.1 | Very high | 17 Ų | 17 | 59.8 Ų | 59.8 | 11% | 0.11 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 137.5 | 177.9 | 24.8 | -34.5 | 0 | 0 | 0 | 110.4 | R91 T109 A115 H119 F141 | R91-P117 HydrophobicContact CB-CG 3.78Å; T109-P117 HydrophobicContact CG2-CG 4.31Å; A115-P117 VanDerWaalsContact O-CD 3.32Å; A115-P117 WeakPolarHBondContact O-CD 3.32Å; P117-H119 PolarHBondContact O-N 2.82Å; P117-F141 HydrophobicContact CB-CD2 4.05Å; P117-F141 HydrophobicContact CB-CE1 4.46Å; P117-F141 HydrophobicContact CB-CE2 3.79Å; P117-F141 HydrophobicContact CB-CG 4.48Å; P117-F141 HydrophobicContact CB-CZ 4Å; P117-F141 HydrophobicContact CG-CD2 3.74Å; P117-F141 HydrophobicContact CG-CE2 3.52Å; P117-F141 HydrophobicContact CG-CZ 4.21Å |
| 118 | L | 94.7 | Very high | 94.9 | Very high | 102 Ų | 102 | 67 Ų | 67 | 53% | 0.534 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 131.5 | 175 | -65.3 | 178.6 | 0 | 0 | 0 | 109.7 | C116 R123 | C116-L118 PolarHBondContact O-N 3.3Å; L118-R123 HydrophobicContact CB-CG 4.08Å; L118-R123 PolarHBondContact O-NE 3.17Å; L118-R123 PolarHBondContact O-NH2 3.08Å |
| 119 | H | 94.4 | Very high | 94.7 | Very high | 67 Ų | 67 | 67.8 Ų | 67.8 | 31% | 0.31 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -48.1 | 141 | 164.9 | -70 | -62.3 | 0 | 0 | 0 | 110.5 | R91 P117 C121 K122 D139 | R91-H119 PolarHBondContact NH2-CE1 3.27Å; P117-H119 PolarHBondContact O-N 2.82Å; H119-C121 PolarHBondContact O-N 2.83Å; H119-C121 VanDerWaalsContact O-N 3.15Å; H119-K122 HydrophobicContact CB-CD 4.46Å; H119-K122 HydrophobicContact CB-CG 4.35Å; H119-K122 WeakPolarHBondContact O-CA 3.33Å; H119-K122 WeakPolarHBondContact O-CB 3.15Å; H119-K122 PolarHBondContact O-N 2.8Å; H119-D139 WeakPolarHBondContact CA-OD2 3.29Å; H119-D139 IonicContact CE1-OD2 3.87Å; H119-D139 IonicContact CG-OD2 3.94Å; H119-D139 IonicContact ND1-OD2 3.02Å; H119-D139 PolarHBondContact ND1-OD2 3.16Å |
| 120 | I | 95 | Very high | 94.5 | Very high | 2 Ų | 2 | 68.6 Ų | 68.6 | 1% | 0.01 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -56.7 | -39.8 | -170.4 | -167 | 50 | 0 | 0 | 0 | 112.3 | K122 R123 A126 P127 L137 D139 H243 A245 | I120-K122 PolarHBondContact O-N 3.37Å; I120-R123 HydrophobicContact CD1-CG 4.35Å; I120-R123 WeakPolarHBondContact O-CB 3.31Å; I120-R123 PolarHBondContact O-N 3.25Å; I120-R123 VanDerWaalsContact O-N 3.09Å; I120-A126 WeakPolarHBondContact O-CB 3.27Å; I120-P127 HydrophobicContact CG1-CG 4.29Å; I120-L137 HydrophobicContact CG2-CB 4.32Å; I120-L137 HydrophobicContact CG2-CD1 4.15Å; I120-D139 VanDerWaalsContact CB-OD1 3.28Å; I120-D139 WeakPolarHBondContact CB-OD1 3.44Å; I120-D139 VanDerWaalsContact CG2-OD1 3.24Å; I120-D139 WeakPolarHBondContact CG2-OD1 3.18Å; I120-D139 PolarHBondContact N-OD1 2.56Å; I120-H243 HydrophobicContact CD1-CB 4.25Å; I120-H243 WeakPolarHBondContact CD1-O 3.48Å; I120-H243 HydrophobicContact CG1-CB 4.27Å; I120-H243 VanDerWaalsContact CG1-O 3.25Å; I120-H243 WeakPolarHBondContact CG1-O 3.31Å; I120-A245 HydrophobicContact CG1-CB 4.31Å; I120-A245 HydrophobicContact CG2-CB 4.13Å |
| 121 | C | 94.6 | Very high | 94.3 | Very high | 52 Ų | 52 | 73.8 Ų | 73.8 | 35% | 0.351 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -73.1 | -4.8 | 178 | -65 | 0 | 0 | 0 | 0 | 115.2 | H119 C130 | H119-C121 PolarHBondContact O-N 2.83Å; H119-C121 VanDerWaalsContact O-N 3.15Å; C121-C130 WeakPolarHBondContact CA-SG 3.31Å; C121-C130 HydrophobicContact CB-CB 3.61Å; C121-C130 WeakPolarHBondContact CB-SG 3.49Å; C121-C130 WeakPolarHBondContact SG-CB 3.4Å; C121-C130 CovalentContact SG-SG 2.04Å; C121-C130 PolarHBondContact SG-SG 3.05Å |
| 122 | K | 93.9 | Very high | 94 | Very high | 124 Ų | 124 | 74 Ų | 74 | 54% | 0.539 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -98.9 | -3.1 | 171 | -64.7 | -174.8 | -179.6 | 178.7 | 0 | 112.5 | E66 H119 I120 | E66-K122 IonicContact OE2-NZ 3.95Å; H119-K122 HydrophobicContact CB-CD 4.46Å; H119-K122 HydrophobicContact CB-CG 4.35Å; H119-K122 WeakPolarHBondContact O-CA 3.33Å; H119-K122 WeakPolarHBondContact O-CB 3.15Å; H119-K122 PolarHBondContact O-N 2.8Å; I120-K122 PolarHBondContact O-N 3.37Å |
| 123 | R | 94.5 | Very high | 93.3 | Very high | 50 Ų | 50 | 77.9 Ų | 77.9 | 19% | 0.189 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -82.8 | 160.8 | -180 | -55 | -170.3 | -173.8 | 177 | -14.8 | 111.4 | L118 I120 D125 A126 | L118-R123 HydrophobicContact CB-CG 4.08Å; L118-R123 PolarHBondContact O-NE 3.17Å; L118-R123 PolarHBondContact O-NH2 3.08Å; I120-R123 HydrophobicContact CD1-CG 4.35Å; I120-R123 WeakPolarHBondContact O-CB 3.31Å; I120-R123 PolarHBondContact O-N 3.25Å; I120-R123 VanDerWaalsContact O-N 3.09Å; R123-D125 VanDerWaalsContact C-N 3.32Å; R123-D125 VanDerWaalsContact CB-OD1 3.23Å; R123-D125 WeakPolarHBondContact CB-OD1 3.33Å; R123-A126 WeakPolarHBondContact O-CB 3.43Å; R123-A126 PolarHBondContact O-N 2.74Å |
| 124 | K | 94 | Very high | 92.5 | Very high | 222 Ų | 222 | 81 Ų | 81 | 97% | 0.965 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -31.3 | 179.8 | -70.6 | -176.3 | 178.8 | 178.1 | 0 | 112.5 | A126 | K124-A126 VanDerWaalsContact C-N 3.32Š|
| 125 | D | 94 | Very high | 91.8 | Very high | 103 Ų | 103 | 78.4 Ų | 78.4 | 55% | 0.551 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 22.1 | 178.5 | 59 | -29 | 0 | 0 | 0 | 112.1 | R123 H243 | R123-D125 VanDerWaalsContact C-N 3.32Å; R123-D125 VanDerWaalsContact CB-OD1 3.23Å; R123-D125 WeakPolarHBondContact CB-OD1 3.33Å; D125-H243 PolarHBondContact O-CE1 3.35Å; D125-H243 PolarHBondContact O-ND1 3.23Å; D125-H243 VanDerWaalsContact O-ND1 3.12Å |
| 126 | A | 95.3 | Very high | 91.3 | Very high | 34 Ų | 34 | 81.7 Ų | 81.7 | 28% | 0.281 | 41% | 0.414 | S | S | . | . | trans | -54.8 | 141 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I120 R123 K124 C130 | I120-A126 WeakPolarHBondContact O-CB 3.27Å; R123-A126 WeakPolarHBondContact O-CB 3.43Å; R123-A126 PolarHBondContact O-N 2.74Å; K124-A126 VanDerWaalsContact C-N 3.32Å; A126-C130 HydrophobicContact CB-CB 4.31Å | ||
| 127 | P | 95.5 | Very high | 91.2 | Very high | 4 Ų | 4 | 80.4 Ų | 80.4 | 3% | 0.026 | 40% | 0.403 | C | S | . | . | trans | -65.2 | 152.3 | 179.1 | 28.2 | -35.2 | 0 | 0 | 0 | 111 | I120 E129 C130 L137 L240 H243 | I120-P127 HydrophobicContact CG1-CG 4.29Å; P127-E129 WeakPolarHBondContact CB-OE2 3.43Å; P127-E129 PolarHBondContact O-N 2.92Å; P127-C130 WeakPolarHBondContact O-CB 3Å; P127-C130 PolarHBondContact O-N 3.28Å; P127-L137 HydrophobicContact CG-CD1 3.92Å; P127-L240 HydrophobicContact CB-CD2 4.05Å; P127-L240 HydrophobicContact CG-CD2 4.1Å; P127-H243 HydrophobicContact CB-CB 4.26Å; P127-H243 HydrophobicContact CG-CB 4.11Å | ||
| 128 | K | 94.1 | Very high | 91.2 | Very high | 153 Ų | 153 | 81.9 Ų | 81.9 | 67% | 0.665 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -55.6 | -27.8 | -175.4 | 64.2 | -178.6 | 179.5 | -167.9 | 0 | 112.8 | C130 N131 | K128-C130 PolarHBondContact O-N 3.44Å; K128-N131 WeakPolarHBondContact O-CB 3.39Å; K128-N131 PolarHBondContact O-N 2.71Å; K128-N131 PolarHBondContact O-ND2 2.87Å |
| 129 | E | 92.6 | Very high | 91.2 | Very high | 16 Ų | 16 | 78.6 Ų | 78.6 | 8% | 0.075 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -57.6 | -31.3 | 177.9 | -72.1 | 71.4 | -157.7 | 0 | 0 | 112.6 | P127 N131 S132 L137 L240 | P127-E129 WeakPolarHBondContact CB-OE2 3.43Å; P127-E129 PolarHBondContact O-N 2.92Å; E129-N131 PolarHBondContact O-N 3.07Å; E129-S132 VanDerWaalsContact O-CB 3.29Å; E129-S132 WeakPolarHBondContact O-CB 3.21Å; E129-S132 PolarHBondContact O-N 3.14Å; E129-S132 VanDerWaalsContact O-N 3.1Å; E129-S132 PolarHBondContact O-OG 3.5Å; E129-L137 HydrophobicContact CB-CD1 4.27Å; E129-L240 HydrophobicContact CB-CD2 4.28Å; E129-L240 HydrophobicContact CG-CD2 3.97Å |
| 130 | C | 94.1 | Very high | 91.4 | Very high | 17 Ų | 17 | 75.7 Ų | 75.7 | 12% | 0.115 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -64.5 | -16.9 | 176 | -67.7 | 0 | 0 | 0 | 0 | 113.4 | C121 A126 P127 K128 S132 P135 | C121-C130 WeakPolarHBondContact CA-SG 3.31Å; C121-C130 HydrophobicContact CB-CB 3.61Å; C121-C130 WeakPolarHBondContact CB-SG 3.49Å; C121-C130 WeakPolarHBondContact SG-CB 3.4Å; C121-C130 CovalentContact SG-SG 2.04Å; C121-C130 PolarHBondContact SG-SG 3.05Å; A126-C130 HydrophobicContact CB-CB 4.31Å; P127-C130 WeakPolarHBondContact O-CB 3Å; P127-C130 PolarHBondContact O-N 3.28Å; K128-C130 PolarHBondContact O-N 3.44Å; C130-S132 VanDerWaalsContact C-N 3.29Å; C130-P135 WeakPolarHBondContact O-CG 3.27Å |
| 131 | N | 91.9 | Very high | 91.4 | Very high | 142 Ų | 142 | 75.6 Ų | 75.6 | 76% | 0.759 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -85.4 | -0.5 | 176.2 | -56.9 | -53.1 | 0 | 0 | 0 | 113.4 | K128 E129 | K128-N131 WeakPolarHBondContact O-CB 3.39Å; K128-N131 PolarHBondContact O-N 2.71Å; K128-N131 PolarHBondContact O-ND2 2.87Å; E129-N131 PolarHBondContact O-N 3.07Å |
| 132 | S | 86.9 | Confident | 91.5 | Very high | 65 Ų | 65 | 76 Ų | 76 | 46% | 0.455 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -64.9 | 156.8 | 174.4 | -54 | 0 | 0 | 0 | 0 | 110.8 | E129 C130 H134 P135 | E129-S132 VanDerWaalsContact O-CB 3.29Å; E129-S132 WeakPolarHBondContact O-CB 3.21Å; E129-S132 PolarHBondContact O-N 3.14Å; E129-S132 VanDerWaalsContact O-N 3.1Å; E129-S132 PolarHBondContact O-OG 3.5Å; C130-S132 VanDerWaalsContact C-N 3.29Å; S132-H134 PolarHBondContact O-N 2.85Å; S132-P135 VanDerWaalsContact O-CD 3.32Å; S132-P135 WeakPolarHBondContact O-CD 3.3Å |
| 133 | L | 78.9 | Confident | 91.5 | Very high | 156 Ų | 156 | 72.7 Ų | 72.7 | 82% | 0.817 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -57.4 | -34.4 | -178.6 | -174.7 | 66 | 0 | 0 | 0 | 113.1 | ||
| 134 | H | 76.2 | Confident | 91.7 | Very high | 158 Ų | 158 | 70.8 Ų | 70.8 | 73% | 0.731 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -137.2 | 81.1 | 175.7 | -57.1 | 105.5 | 0 | 0 | 0 | 108.6 | S132 Y136 | S132-H134 PolarHBondContact O-N 2.85Å; H134-Y136 PolarHBondContact O-N 2.93Å |
| 135 | P | 81.2 | Confident | 91.9 | Very high | 58 Ų | 58 | 60.2 Ų | 60.2 | 38% | 0.377 | 31% | 0.31 | S | S | . | . | trans | -70.8 | 126 | -179.3 | 31.6 | -31.1 | 0 | 0 | 0 | 108.8 | C130 S132 | C130-P135 WeakPolarHBondContact O-CG 3.27Å; S132-P135 VanDerWaalsContact O-CD 3.32Å; S132-P135 WeakPolarHBondContact O-CD 3.3Å | ||
| 136 | Y | 85.1 | Confident | 92.1 | Very high | 123 Ų | 123 | 55.4 Ų | 55.4 | 48% | 0.482 | 28% | 0.284 | S | S | . | . | trans | -126.7 | 100.4 | 174.1 | -171.9 | -123.9 | 0 | 0 | 0 | 109 | H134 W138 P248 | H134-Y136 PolarHBondContact O-N 2.93Å; Y136-W138 AromaticContact CE1-NE1 3.99Å; Y136-W138 AromaticContact CE2-NE1 3.98Å; Y136-W138 AromaticContact CZ-NE1 3.39Å; Y136-W138 PolarHBondContact OH-NE1 3.04Å; Y136-P248 HydrophobicContact CD1-CG 3.64Å; Y136-P248 HydrophobicContact CE1-CB 4.44Å; Y136-P248 HydrophobicContact CE1-CG 3.3Å | ||
| 137 | L | 93.2 | Very high | 92.3 | Very high | 24 Ų | 24 | 53.8 Ų | 53.8 | 13% | 0.126 | 27% | 0.271 | C | S | . | . | trans | -126.9 | 145.6 | 177.2 | -61.9 | 178.9 | 0 | 0 | 0 | 108.3 | I120 P127 E129 L240 A245 V246 R247 | I120-L137 HydrophobicContact CG2-CB 4.32Å; I120-L137 HydrophobicContact CG2-CD1 4.15Å; P127-L137 HydrophobicContact CG-CD1 3.92Å; E129-L137 HydrophobicContact CB-CD1 4.27Å; L137-L240 HydrophobicContact CD1-CD2 4.15Å; L137-L240 HydrophobicContact CD2-CD1 4.08Å; L137-L240 HydrophobicContact CD2-CD2 4.06Å; L137-A245 HydrophobicContact CB-CB 4.49Å; L137-A245 HydrophobicContact CD1-CB 4.28Å; L137-V246 CarbonylContact C-O 3.58Å; L137-V246 VanDerWaalsContact CA-O 3.32Å; L137-V246 WeakPolarHBondContact CA-O 3.13Å; L137-R247 HydrophobicContact CD2-CB 3.96Å; L137-R247 HydrophobicContact CD2-CG 4.4Å | ||
| 138 | W | 94.7 | Very high | 92.4 | Very high | 48 Ų | 48 | 54.4 Ų | 54.4 | 18% | 0.182 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 136.2 | 166.8 | -69 | -10.4 | 0 | 0 | 0 | 109.5 | Y136 A245 V246 P248 M251 W274 | Y136-W138 AromaticContact CE1-NE1 3.99Å; Y136-W138 AromaticContact CE2-NE1 3.98Å; Y136-W138 AromaticContact CZ-NE1 3.39Å; Y136-W138 PolarHBondContact OH-NE1 3.04Å; W138-A245 VanDerWaalsContact O-CA 3.3Å; W138-A245 WeakPolarHBondContact O-CA 3.46Å; W138-V246 HydrophobicContact CB-CG2 3.88Å; W138-V246 HydrophobicContact CE3-CG2 4.36Å; W138-V246 PolarHBondContact N-O 2.85Å; W138-V246 PolarHBondContact O-N 3.21Å; W138-P248 HydrophobicContact CD2-CB 3.79Å; W138-P248 HydrophobicContact CD2-CG 3.71Å; W138-P248 VanDerWaalsContact CE2-CG 3.48Å; W138-P248 HydrophobicContact CE3-CB 3.91Å; W138-P248 HydrophobicContact CE3-CG 4.33Å; W138-P248 HydrophobicContact CG-CB 4.49Å; W138-P248 HydrophobicContact CG-CG 3.95Å; W138-P248 HydrophobicContact CH2-CB 3.8Å; W138-P248 HydrophobicContact CZ2-CB 3.68Å; W138-P248 HydrophobicContact CZ2-CG 3.93Å; W138-P248 HydrophobicContact CZ3-CB 3.91Å; W138-M251 HydrophobicContact CH2-CE 4.41Å; W138-M251 HydrophobicContact CH2-SD 3.8Å; W138-M251 HydrophobicContact CZ3-CE 4.04Å; W138-M251 HydrophobicContact CZ3-SD 3.97Å; W138-W274 HydrophobicContact CH2-CD2 4.41Å; W138-W274 AromaticContact CH2-CE3 3.88Å; W138-W274 HydrophobicContact CH2-CE3 3.88Å; W138-W274 HydrophobicContact CH2-CZ3 4.3Å; W138-W274 HydrophobicContact CZ2-CE3 4.11Å; W138-W274 HydrophobicContact CZ2-CZ3 4.16Å |
| 139 | D | 96.1 | Very high | 92.6 | Very high | 33 Ų | 33 | 47.3 Ų | 47.3 | 18% | 0.176 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 125.2 | 175.4 | -61.4 | -43.7 | 0 | 0 | 0 | 109.8 | H119 I120 F141 | H119-D139 WeakPolarHBondContact CA-OD2 3.29Å; H119-D139 IonicContact CE1-OD2 3.87Å; H119-D139 IonicContact CG-OD2 3.94Å; H119-D139 IonicContact ND1-OD2 3.02Å; H119-D139 PolarHBondContact ND1-OD2 3.16Å; I120-D139 VanDerWaalsContact CB-OD1 3.28Å; I120-D139 WeakPolarHBondContact CB-OD1 3.44Å; I120-D139 VanDerWaalsContact CG2-OD1 3.24Å; I120-D139 WeakPolarHBondContact CG2-OD1 3.18Å; I120-D139 PolarHBondContact N-OD1 2.56Å; D139-F141 HydrophobicContact CB-CD1 4.13Å; D139-F141 HydrophobicContact CB-CD2 4.33Å; D139-F141 HydrophobicContact CB-CE1 3.54Å; D139-F141 HydrophobicContact CB-CE2 3.78Å; D139-F141 HydrophobicContact CB-CG 4.5Å; D139-F141 HydrophobicContact CB-CZ 3.37Å; D139-F141 VanDerWaalsContact CG-CZ 3.47Å; D139-F141 WeakPolarHBondContact OD2-CZ 3.49Å |
| 140 | V | 96.8 | Very high | 92.8 | Very high | 6 Ų | 6 | 49.2 Ų | 49.2 | 4% | 0.036 | 25% | 0.253 | C | S | . | . | trans | -117.4 | 65.1 | 176.2 | -67.3 | 0 | 0 | 0 | 0 | 109.8 | N142 Y164 L187 L241 M244 V246 | V140-N142 PolarHBondContact O-N 3.19Å; V140-Y164 VanDerWaalsContact CA-CD2 3.49Å; V140-Y164 HydrophobicContact CB-CD2 3.77Å; V140-Y164 HydrophobicContact CB-CE2 3.98Å; V140-Y164 HydrophobicContact CB-CG 4.05Å; V140-Y164 HydrophobicContact CG1-CD2 4.38Å; V140-Y164 HydrophobicContact CG1-CE1 4.5Å; V140-Y164 HydrophobicContact CG1-CE2 4.12Å; V140-L187 HydrophobicContact CB-CD1 4.35Å; V140-L187 HydrophobicContact CG1-CD1 3.9Å; V140-L187 HydrophobicContact CG2-CD1 4.27Å; V140-L241 HydrophobicContact CG2-CD2 4.46Å; V140-M244 HydrophobicContact CG2-CB 4.44Å; V140-M244 WeakPolarHBondContact CG2-O 3.21Å; V140-M244 PolarHBondContact N-O 3.38Å; V140-M244 WeakPolarHBondContact O-CB 3.32Å; V140-V246 HydrophobicContact CG1-CG1 4.49Å; V140-V246 HydrophobicContact CG1-CG2 4.2Å; V140-V246 HydrophobicContact CG2-CG1 4.44Å | ||
| 141 | F | 96.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -61.2 | 124.9 | -175 | -55.5 | -45.5 | 0 | 0 | 0 | 112.3 | T109 P117 D139 D143 Y144 Y164 | T109-F141 HydrophobicContact CG2-CD2 4.47Å; P117-F141 HydrophobicContact CB-CD2 4.05Å; P117-F141 HydrophobicContact CB-CE1 4.46Å; P117-F141 HydrophobicContact CB-CE2 3.79Å; P117-F141 HydrophobicContact CB-CG 4.48Å; P117-F141 HydrophobicContact CB-CZ 4Å; P117-F141 HydrophobicContact CG-CD2 3.74Å; P117-F141 HydrophobicContact CG-CE2 3.52Å; P117-F141 HydrophobicContact CG-CZ 4.21Å; D139-F141 HydrophobicContact CB-CD1 4.13Å; D139-F141 HydrophobicContact CB-CD2 4.33Å; D139-F141 HydrophobicContact CB-CE1 3.54Å; D139-F141 HydrophobicContact CB-CE2 3.78Å; D139-F141 HydrophobicContact CB-CG 4.5Å; D139-F141 HydrophobicContact CB-CZ 3.37Å; D139-F141 VanDerWaalsContact CG-CZ 3.47Å; D139-F141 WeakPolarHBondContact OD2-CZ 3.49Å; F141-D143 PolarHBondContact O-N 3.45Å; F141-Y144 HydrophobicContact CB-CD2 3.88Å; F141-Y144 HydrophobicContact CB-CE2 4.13Å; F141-Y144 HydrophobicContact CD2-CD2 4.32Å; F141-Y144 AromaticContact CD2-CE2 3.7Å; F141-Y144 HydrophobicContact CD2-CE2 3.7Å; F141-Y144 HydrophobicContact CG-CE2 4.33Å; F141-Y144 WeakPolarHBondContact O-CD2 3.17Å; F141-Y144 PolarHBondContact O-N 2.82Å; F141-Y164 WeakPolarHBondContact O-CD2 3.28Å | ||
| 142 | N | 95.5 | Very high | 92.8 | Very high | 60 Ų | 60 | 49.4 Ų | 49.4 | 32% | 0.321 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -6.8 | 174.3 | -70.2 | -8.3 | 0 | 0 | 0 | 114.1 | V140 Y144 S162 S163 M244 | V140-N142 PolarHBondContact O-N 3.19Å; N142-Y144 VanDerWaalsContact C-N 3.31Å; N142-S162 CarbonylContact O-C 3.4Å; N142-S163 CarbonylContact O-C 3.24Å; N142-M244 HydrophobicContact CB-SD 4.3Å |
| 143 | D | 95.2 | Very high | 93 | Very high | 55 Ų | 55 | 48.6 Ų | 48.6 | 29% | 0.294 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -7.4 | 174.5 | -59.4 | -28.7 | 0 | 0 | 0 | 112.1 | T109 H112 F141 D145 | T109-D143 VanDerWaalsContact CA-O 3.32Å; T109-D143 WeakPolarHBondContact CA-O 3.45Å; T109-D143 HydrophobicContact CG2-CB 3.94Å; H112-D143 HydrophobicContact CB-CB 4.03Å; H112-D143 PolarHBondContact CD2-O 2.85Å; H112-D143 IonicContact CG-OD1 2.7Å; F141-D143 PolarHBondContact O-N 3.45Å; D143-D145 PolarHBondContact O-N 2.94Å |
| 144 | Y | 97.7 | Very high | 93.9 | Very high | 10 Ų | 10 | 44.7 Ų | 44.7 | 4% | 0.039 | 25% | 0.247 | C | C | . | . | trans | -73.2 | 121.9 | 176.8 | -83.5 | -60.4 | 0 | 0 | 0 | 110.7 | R91 T93 T109 F141 N142 Y164 D165 A166 | R91-Y144 HydrophobicContact CB-CE1 4.38Å; R91-Y144 WeakPolarHBondContact CD-OH 3.42Å; R91-Y144 WeakPolarHBondContact CG-OH 3.29Å; T93-Y144 HydrophobicContact CG2-CD1 4.2Å; T93-Y144 HydrophobicContact CG2-CE1 3.57Å; T93-Y144 HydrophobicContact CG2-CE2 4.42Å; T109-Y144 HydrophobicContact CG2-CD1 3.63Å; T109-Y144 HydrophobicContact CG2-CD2 4.31Å; T109-Y144 HydrophobicContact CG2-CE1 3.69Å; T109-Y144 HydrophobicContact CG2-CE2 4.4Å; T109-Y144 HydrophobicContact CG2-CG 3.97Å; F141-Y144 HydrophobicContact CB-CD2 3.88Å; F141-Y144 HydrophobicContact CB-CE2 4.13Å; F141-Y144 HydrophobicContact CD2-CD2 4.32Å; F141-Y144 AromaticContact CD2-CE2 3.7Å; F141-Y144 HydrophobicContact CD2-CE2 3.7Å; F141-Y144 HydrophobicContact CG-CE2 4.33Å; F141-Y144 WeakPolarHBondContact O-CD2 3.17Å; F141-Y144 PolarHBondContact O-N 2.82Å; N142-Y144 VanDerWaalsContact C-N 3.31Å; Y144-Y164 AromaticContact CD2-CD2 3.76Å; Y144-Y164 HydrophobicContact CD2-CD2 3.76Å; Y144-Y164 AromaticContact CD2-CE2 3.57Å; Y144-Y164 HydrophobicContact CD2-CE2 3.57Å; Y144-Y164 HydrophobicContact CE2-CE2 4.16Å; Y144-Y164 HydrophobicContact CG-CD2 4.45Å; Y144-Y164 HydrophobicContact CG-CE2 4.38Å; Y144-D165 CarbonylContact C-O 3.42Å; Y144-D165 PolarHBondContact O-N 2.95Å; Y144-A166 HydrophobicContact CG-CB 4.37Å | ||
| 145 | D | 98.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 152.3 | 165.9 | -77 | -73 | 0 | 0 | 0 | 110.8 | S107 T108 H111 H112 D143 F157 T159 N160 | S107-D145 CarbonylContact C-O 3.54Å; S107-D145 VanDerWaalsContact CA-O 3.3Å; S107-D145 WeakPolarHBondContact CA-O 3.25Å; T108-D145 PolarHBondContact N-O 3.05Å; T108-D145 PolarHBondContact O-N 3.38Å; T108-D145 VanDerWaalsContact O-N 3.14Å; H111-D145 IonicContact CE1-OD2 2.69Å; H111-D145 PolarHBondContact CE1-OD2 3.14Å; H111-D145 IonicContact NE2-OD2 3.91Å; H111-D145 PolarHBondContact NE2-OD2 3.31Å; H111-D145 VanDerWaalsContact NE2-OD2 3.11Å; H112-D145 IonicContact CD2-OD2 3.99Å; H112-D145 IonicContact NE2-OD2 3.72Å; H112-D145 PolarHBondContact NE2-OD2 2.66Å; H112-D145 VanDerWaalsContact NE2-OD2 3.08Å; D143-D145 PolarHBondContact O-N 2.94Å; D145-F157 HydrophobicContact CB-CD1 4.08Å; D145-F157 HydrophobicContact CB-CE1 4.25Å; D145-T159 WeakPolarHBondContact CA-OG1 3.23Å; D145-T159 PolarHBondContact OD1-OG1 3.1Å; D145-N160 WeakPolarHBondContact OD1-CA 3.46Å; D145-N160 PolarHBondContact OD1-N 2.81Å; D145-N160 VanDerWaalsContact OD1-N 3.07Å |
| 146 | I | 98.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 122.7 | 178.8 | -55.8 | 173.9 | 0 | 0 | 0 | 109.1 | I105 L158 T159 D165 F179 M192 | I105-I146 HydrophobicContact CB-CG2 4.3Å; I146-L158 HydrophobicContact CG2-CB 4.48Å; I146-L158 HydrophobicContact CG2-CD1 4.16Å; I146-L158 PolarHBondContact O-N 3.38Å; I146-T159 HydrophobicContact CB-CG2 4.4Å; I146-T159 HydrophobicContact CD1-CG2 4.39Å; I146-T159 PolarHBondContact N-OG1 3.37Å; I146-T159 PolarHBondContact O-N 2.8Å; I146-D165 HydrophobicContact CG1-CB 4.36Å; I146-D165 WeakPolarHBondContact CG1-O 3.32Å; I146-F179 HydrophobicContact CD1-CB 3.33Å; I146-F179 HydrophobicContact CD1-CD1 4.32Å; I146-F179 HydrophobicContact CD1-CD2 3.73Å; I146-F179 HydrophobicContact CD1-CG 3.56Å; I146-M192 HydrophobicContact CD1-CE 4.13Å; I146-M192 HydrophobicContact CG2-CE 4.26Å |
| 147 | V | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 145.3 | 173.9 | -61.5 | 0 | 0 | 0 | 0 | 110.7 | I105 Y106 T108 L155 T156 F157 | I105-V147 WeakPolarHBondContact CA-O 3.41Å; Y106-V147 HydrophobicContact CD1-CG2 4.3Å; Y106-V147 HydrophobicContact CD2-CG2 3.59Å; Y106-V147 HydrophobicContact CE1-CG2 4.02Å; Y106-V147 HydrophobicContact CE2-CG2 3.24Å; Y106-V147 HydrophobicContact CG-CG2 4.1Å; Y106-V147 VanDerWaalsContact CZ-CG2 3.48Å; Y106-V147 PolarHBondContact N-O 2.81Å; Y106-V147 WeakPolarHBondContact O-CG2 3.32Å; Y106-V147 PolarHBondContact O-N 2.88Å; T108-V147 HydrophobicContact CG2-CG1 3.97Å; T108-V147 HydrophobicContact CG2-CG2 3.94Å; V147-L155 HydrophobicContact CG2-CD2 4.49Å; V147-T156 CarbonylContact C-O 3.48Å; V147-T156 WeakPolarHBondContact CA-O 3.35Å; V147-F157 HydrophobicContact CG1-CD1 3.49Å; V147-F157 VanDerWaalsContact CG1-CD1 3.49Å; V147-F157 HydrophobicContact CG1-CD2 4.18Å; V147-F157 HydrophobicContact CG1-CE1 3.27Å; V147-F157 HydrophobicContact CG1-CE2 4.02Å; V147-F157 HydrophobicContact CG1-CG 3.92Å; V147-F157 HydrophobicContact CG1-CZ 3.55Å |
| 148 | M | 98.6 | Very high | 96.5 | Very high | 18 Ų | 18 | 37.8 Ų | 37.8 | 9% | 0.089 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 126.7 | 165.9 | -176.2 | 177.9 | -61.9 | 0 | 0 | 109.6 | L98 L104 I105 L155 T156 L158 I194 | L98-M148 HydrophobicContact CD1-CE 4.29Å; L98-M148 HydrophobicContact CD2-CE 3.69Å; L98-M148 HydrophobicContact CD2-SD 3.91Å; L104-M148 CarbonylContact O-C 3.4Å; L104-M148 WeakPolarHBondContact O-CA 3.24Å; I105-M148 HydrophobicContact CG2-CB 4.1Å; I105-M148 HydrophobicContact CG2-CE 4.27Å; I105-M148 HydrophobicContact CG2-CG 4.32Å; M148-L155 CarbonylContact O-C 3.5Å; M148-L155 WeakPolarHBondContact O-CA 3.37Å; M148-T156 PolarHBondContact N-O 3.4Å; M148-T156 PolarHBondContact O-N 3.28Å; M148-L158 HydrophobicContact CB-CD1 4.22Å; M148-L158 HydrophobicContact CB-CD2 4.2Å; M148-L158 HydrophobicContact CB-CG 4.23Å; M148-L158 HydrophobicContact CE-CD1 4.01Å; M148-L158 HydrophobicContact CE-CD2 4.28Å; M148-I194 WeakPolarHBondContact CE-O 3.33Å |
| 149 | D | 98.4 | Very high | 96.7 | Very high | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 134.2 | 169.6 | -172.3 | -35.4 | 0 | 0 | 0 | 109.7 | R103 L104 Y106 G151 N152 G153 S154 L155 | R103-D149 WeakPolarHBondContact CA-O 3.37Å; R103-D149 WeakPolarHBondContact CB-O 2.96Å; L104-D149 HydrophobicContact CD1-CB 3.78Å; L104-D149 HydrophobicContact CG-CB 3.96Å; L104-D149 PolarHBondContact N-O 3.05Å; L104-D149 VanDerWaalsContact N-O 3.16Å; L104-D149 PolarHBondContact O-N 2.7Å; Y106-D149 HydrophobicContact CE1-CB 4.23Å; D149-G151 PolarHBondContact O-N 2.97Å; D149-G151 WeakPolarHBondContact OD1-CA 3.34Å; D149-G151 PolarHBondContact OD1-N 2.95Å; D149-N152 PolarHBondContact OD1-N 3.03Å; D149-G153 WeakPolarHBondContact OD1-CA 3.24Å; D149-G153 PolarHBondContact OD1-N 2.92Å; D149-G153 WeakPolarHBondContact OD2-CA 3.02Å; D149-S154 WeakPolarHBondContact CA-O 3.38Å; D149-L155 HydrophobicContact CB-CD2 3.67Å |
| 150 | D | 96.9 | Very high | 96.6 | Very high | 55 Ų | 55 | 39.4 Ų | 39.4 | 29% | 0.294 | 23% | 0.233 | S | C | . | . | trans | -70.4 | -6.9 | 178.8 | 81.1 | -35.3 | 0 | 0 | 0 | 114.4 | R102 N152 G153 S154 | R102-D150 PolarHBondContact NE-O 3.43Å; D150-N152 WeakPolarHBondContact OD1-CA 3.41Å; D150-N152 WeakPolarHBondContact OD1-CB 3.32Å; D150-N152 PolarHBondContact OD1-N 2.84Å; D150-N152 PolarHBondContact OD2-ND2 3.26Å; D150-G153 PolarHBondContact OD1-N 2.9Å; D150-S154 VanDerWaalsContact CG-CB 3.46Å; D150-S154 PolarHBondContact N-O 2.7Å; D150-S154 WeakPolarHBondContact OD1-CB 3.39Å; D150-S154 PolarHBondContact OD1-N 2.63Å | ||
| 151 | G | 93.5 | Very high | 95.9 | Very high | 28 Ų | 28 | 42.3 Ų | 42.3 | 29% | 0.289 | 25% | 0.248 | S | C | . | . | S | Bend | trans | 98.7 | -5.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R102 D149 | R102-G151 WeakPolarHBondContact O-CA 3.49Å; D149-G151 PolarHBondContact O-N 2.97Å; D149-G151 WeakPolarHBondContact OD1-CA 3.34Å; D149-G151 PolarHBondContact OD1-N 2.95Å |
| 152 | N | 92.4 | Very high | 95.5 | Very high | 136 Ų | 136 | 46.2 Ų | 46.2 | 73% | 0.727 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -120.6 | 9.6 | 179.1 | -54.3 | -59.8 | 0 | 0 | 0 | 112.4 | D149 D150 | D149-N152 PolarHBondContact OD1-N 3.03Å; D150-N152 WeakPolarHBondContact OD1-CA 3.41Å; D150-N152 WeakPolarHBondContact OD1-CB 3.32Å; D150-N152 PolarHBondContact OD1-N 2.84Å; D150-N152 PolarHBondContact OD2-ND2 3.26Å |
| 153 | G | 90.9 | Very high | 95.4 | Very high | 47 Ų | 47 | 43.8 Ų | 43.8 | 49% | 0.485 | 26% | 0.263 | S | S | . | . | S | Bend | trans | 89.1 | 5.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | D149 D150 | D149-G153 WeakPolarHBondContact OD1-CA 3.24Å; D149-G153 PolarHBondContact OD1-N 2.92Å; D149-G153 WeakPolarHBondContact OD2-CA 3.02Å; D150-G153 PolarHBondContact OD1-N 2.9Å |
| 154 | S | 96.9 | Very high | 95.6 | Very high | 74 Ų | 74 | 41.6 Ų | 41.6 | 52% | 0.517 | 25% | 0.251 | S | S | . | . | trans | -80.7 | 121.2 | 171.6 | -163.6 | 0 | 0 | 0 | 0 | 109.5 | D149 D150 | D149-S154 WeakPolarHBondContact CA-O 3.38Å; D150-S154 VanDerWaalsContact CG-CB 3.46Å; D150-S154 PolarHBondContact N-O 2.7Å; D150-S154 WeakPolarHBondContact OD1-CB 3.39Å; D150-S154 PolarHBondContact OD1-N 2.63Å | ||
| 155 | L | 97.7 | Very high | 95.6 | Very high | 48 Ų | 48 | 41.1 Ų | 41.1 | 25% | 0.251 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 136.2 | -171.5 | -56.1 | -178.1 | 0 | 0 | 0 | 112.4 | Y106 F110 V147 M148 D149 | Y106-L155 HydrophobicContact CE1-CD2 4.47Å; Y106-L155 WeakPolarHBondContact OH-CD2 3.34Å; F110-L155 HydrophobicContact CE1-CD1 3.63Å; F110-L155 HydrophobicContact CZ-CD1 3.59Å; V147-L155 HydrophobicContact CG2-CD2 4.49Å; M148-L155 CarbonylContact O-C 3.5Å; M148-L155 WeakPolarHBondContact O-CA 3.37Å; D149-L155 HydrophobicContact CB-CD2 3.67Å |
| 156 | T | 97.8 | Very high | 95.6 | Very high | 86 Ų | 86 | 41.1 Ų | 41.1 | 53% | 0.528 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 124.5 | 166.9 | -59.2 | 0 | 0 | 0 | 0 | 109.2 | V147 M148 L158 | V147-T156 CarbonylContact C-O 3.48Å; V147-T156 WeakPolarHBondContact CA-O 3.35Å; M148-T156 PolarHBondContact N-O 3.4Å; M148-T156 PolarHBondContact O-N 3.28Å; T156-L158 HydrophobicContact CG2-CD2 4.45Å; T156-L158 PolarHBondContact O-N 2.89Å |
| 157 | F | 97.6 | Very high | 95.6 | Very high | 72 Ų | 72 | 41.8 Ų | 41.8 | 32% | 0.316 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 122.2 | 173.5 | -77.7 | -93.7 | 0 | 0 | 0 | 109.9 | F110 H111 D145 V147 | F110-F157 HydrophobicContact CE1-CZ 4.31Å; F110-F157 HydrophobicContact CZ-CE2 4.38Å; F110-F157 AromaticContact CZ-CZ 3.91Å; F110-F157 HydrophobicContact CZ-CZ 3.91Å; H111-F157 HydrophobicContact CB-CE1 4.09Å; H111-F157 HydrophobicContact CB-CZ 3.6Å; H111-F157 AromaticContact CD2-CE1 3.77Å; H111-F157 AromaticContact CE1-CE1 3.61Å; H111-F157 AromaticContact CG-CE1 3.48Å; H111-F157 VanDerWaalsContact CG-CE1 3.48Å; H111-F157 AromaticContact CG-CZ 3.54Å; H111-F157 AromaticContact ND1-CE1 3.39Å; H111-F157 WeakPolarHBondContact ND1-CE1 3.47Å; H111-F157 AromaticContact ND1-CZ 3.82Å; H111-F157 AromaticContact NE2-CE1 3.82Å; D145-F157 HydrophobicContact CB-CD1 4.08Å; D145-F157 HydrophobicContact CB-CE1 4.25Å; V147-F157 HydrophobicContact CG1-CD1 3.49Å; V147-F157 VanDerWaalsContact CG1-CD1 3.49Å; V147-F157 HydrophobicContact CG1-CD2 4.18Å; V147-F157 HydrophobicContact CG1-CE1 3.27Å; V147-F157 HydrophobicContact CG1-CE2 4.02Å; V147-F157 HydrophobicContact CG1-CG 3.92Å; V147-F157 HydrophobicContact CG1-CZ 3.55Å |
| 158 | L | 98.6 | Very high | 95.6 | Very high | 12 Ų | 12 | 41.9 Ų | 41.9 | 6% | 0.063 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -89.9 | -27.2 | 175 | -55 | -174.9 | 0 | 0 | 0 | 111.2 | I105 I146 M148 T156 I177 M192 Q199 | I105-L158 HydrophobicContact CG2-CD1 4Å; I146-L158 HydrophobicContact CG2-CB 4.48Å; I146-L158 HydrophobicContact CG2-CD1 4.16Å; I146-L158 PolarHBondContact O-N 3.38Å; M148-L158 HydrophobicContact CB-CD1 4.22Å; M148-L158 HydrophobicContact CB-CD2 4.2Å; M148-L158 HydrophobicContact CB-CG 4.23Å; M148-L158 HydrophobicContact CE-CD1 4.01Å; M148-L158 HydrophobicContact CE-CD2 4.28Å; T156-L158 HydrophobicContact CG2-CD2 4.45Å; T156-L158 PolarHBondContact O-N 2.89Å; L158-I177 HydrophobicContact CD1-CD1 3.47Å; L158-I177 VanDerWaalsContact CD1-CD1 3.47Å; L158-M192 HydrophobicContact CB-CE 3.74Å; L158-M192 HydrophobicContact CB-SD 4.13Å; L158-M192 HydrophobicContact CD1-CE 3.72Å; L158-M192 HydrophobicContact CG-CE 4.41Å; L158-Q199 PolarHBondContact O-NE2 2.9Å |
| 159 | T | 98.2 | Very high | 95.6 | Very high | 6 Ų | 6 | 41.4 Ų | 41.4 | 4% | 0.037 | 25% | 0.252 | C | S | . | . | trans | -127.7 | 156.8 | 170.5 | 67.9 | 0 | 0 | 0 | 0 | 110.2 | D145 I146 D165 F179 M192 | D145-T159 WeakPolarHBondContact CA-OG1 3.23Å; D145-T159 PolarHBondContact OD1-OG1 3.1Å; I146-T159 HydrophobicContact CB-CG2 4.4Å; I146-T159 HydrophobicContact CD1-CG2 4.39Å; I146-T159 PolarHBondContact N-OG1 3.37Å; I146-T159 PolarHBondContact O-N 2.8Å; T159-D165 WeakPolarHBondContact CB-OD2 3.33Å; T159-D165 HydrophobicContact CG2-CB 4.13Å; T159-D165 VanDerWaalsContact CG2-OD2 3.29Å; T159-D165 WeakPolarHBondContact CG2-OD2 3.31Å; T159-D165 WeakPolarHBondContact OG1-CB 3.26Å; T159-D165 PolarHBondContact OG1-OD2 2.81Å; T159-F179 HydrophobicContact CG2-CE2 4.24Å; T159-F179 HydrophobicContact CG2-CZ 4.41Å; T159-M192 HydrophobicContact CG2-SD 4.41Å | ||
| 160 | N | 93.6 | Very high | 95.7 | Very high | 110 Ų | 110 | 41.4 Ų | 41.4 | 59% | 0.588 | 25% | 0.252 | S | S | * | . | trans | -169.6 | 62.6 | 176.4 | -173.8 | 10.5 | 0 | 0 | 0 | 110.1 | D145 | D145-N160 WeakPolarHBondContact OD1-CA 3.46Å; D145-N160 PolarHBondContact OD1-N 2.81Å; D145-N160 VanDerWaalsContact OD1-N 3.07Å | ||
| 161 | D | 83.8 | Confident | 95.7 | Very high | 66 Ų | 66 | 38.8 Ų | 38.8 | 35% | 0.353 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -123.1 | 11.2 | -170.8 | 69.4 | 15.2 | 0 | 0 | 0 | 115.8 | S163 R183 | D161-S163 PolarHBondContact O-N 2.88Å; D161-S163 VanDerWaalsContact O-N 3.15Å; D161-S163 VanDerWaalsContact OD1-CB 3.26Å; D161-S163 WeakPolarHBondContact OD1-CB 3.2Å; D161-S163 PolarHBondContact OD1-N 2.88Å; D161-S163 VanDerWaalsContact OD1-N 3.12Å; D161-S163 PolarHBondContact OD1-OG 2.83Å; D161-R183 IonicContact OD2-CZ 3.17Å; D161-R183 IonicContact OD2-NE 3.63Å; D161-R183 PolarHBondContact OD2-NE 2.72Å; D161-R183 IonicContact OD2-NH2 2.87Å; D161-R183 PolarHBondContact OD2-NH2 2.86Å; D161-R183 VanDerWaalsContact OD2-NH2 3.14Å |
| 162 | S | 87 | Confident | 95.9 | Very high | 82 Ų | 82 | 40.1 Ų | 40.1 | 57% | 0.573 | 24% | 0.241 | S | C | * | . | S | Bend | trans | 56 | 22.9 | -178.2 | -54.4 | 0 | 0 | 0 | 0 | 113.7 | N142 | N142-S162 CarbonylContact O-C 3.4Š|
| 163 | S | 94.1 | Very high | 96.2 | Very high | 9 Ų | 9 | 36.7 Ų | 36.7 | 6% | 0.063 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -105 | 166.6 | 164.1 | 81.6 | 0 | 0 | 0 | 0 | 109.5 | N142 D161 D165 S181 | N142-S163 CarbonylContact O-C 3.24Å; D161-S163 PolarHBondContact O-N 2.88Å; D161-S163 VanDerWaalsContact O-N 3.15Å; D161-S163 VanDerWaalsContact OD1-CB 3.26Å; D161-S163 WeakPolarHBondContact OD1-CB 3.2Å; D161-S163 PolarHBondContact OD1-N 2.88Å; D161-S163 VanDerWaalsContact OD1-N 3.12Å; D161-S163 PolarHBondContact OD1-OG 2.83Å; S163-D165 PolarHBondContact O-N 2.82Å; S163-D165 VanDerWaalsContact O-N 3.13Å; S163-D165 PolarHBondContact OG-OD1 2.81Å; S163-S181 PolarHBondContact OG-OG 3.46Å |
| 164 | Y | 98 | Very high | 96.5 | Very high | 10 Ų | 10 | 34.9 Ų | 34.9 | 4% | 0.039 | 21% | 0.205 | C | C | . | . | trans | -70.1 | 109.2 | 172.2 | 170.8 | -93.3 | 0 | 0 | 0 | 107.7 | V140 F141 Y144 A166 E167 T180 S181 S182 L187 | V140-Y164 VanDerWaalsContact CA-CD2 3.49Å; V140-Y164 HydrophobicContact CB-CD2 3.77Å; V140-Y164 HydrophobicContact CB-CE2 3.98Å; V140-Y164 HydrophobicContact CB-CG 4.05Å; V140-Y164 HydrophobicContact CG1-CD2 4.38Å; V140-Y164 HydrophobicContact CG1-CE1 4.5Å; V140-Y164 HydrophobicContact CG1-CE2 4.12Å; F141-Y164 WeakPolarHBondContact O-CD2 3.28Å; Y144-Y164 AromaticContact CD2-CD2 3.76Å; Y144-Y164 HydrophobicContact CD2-CD2 3.76Å; Y144-Y164 AromaticContact CD2-CE2 3.57Å; Y144-Y164 HydrophobicContact CD2-CE2 3.57Å; Y144-Y164 HydrophobicContact CE2-CE2 4.16Å; Y144-Y164 HydrophobicContact CG-CD2 4.45Å; Y144-Y164 HydrophobicContact CG-CE2 4.38Å; Y164-A166 HydrophobicContact CE1-CB 3.9Å; Y164-A166 HydrophobicContact CE2-CB 3.82Å; Y164-A166 VanDerWaalsContact CZ-CB 3.49Å; Y164-E167 PolarHBondContact OH-OE1 2.81Å; Y164-T180 HydrophobicContact CD1-CG2 4.36Å; Y164-T180 HydrophobicContact CE1-CG2 3.97Å; Y164-S181 CarbonylContact O-C 3.59Å; Y164-S181 WeakPolarHBondContact O-CA 3.49Å; Y164-S182 PolarHBondContact N-OG 2.85Å; Y164-S182 PolarHBondContact O-N 3.1Å; Y164-L187 HydrophobicContact CD1-CD2 3.34Å; Y164-L187 HydrophobicContact CE1-CD2 3.89Å; Y164-L187 HydrophobicContact CG-CD2 4.09Å | ||
| 165 | D | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 99.9 | 172 | -77.8 | -20.1 | 0 | 0 | 0 | 109.7 | Y144 I146 T159 S163 F179 T180 S181 R183 | Y144-D165 CarbonylContact C-O 3.42Å; Y144-D165 PolarHBondContact O-N 2.95Å; I146-D165 HydrophobicContact CG1-CB 4.36Å; I146-D165 WeakPolarHBondContact CG1-O 3.32Å; T159-D165 WeakPolarHBondContact CB-OD2 3.33Å; T159-D165 HydrophobicContact CG2-CB 4.13Å; T159-D165 VanDerWaalsContact CG2-OD2 3.29Å; T159-D165 WeakPolarHBondContact CG2-OD2 3.31Å; T159-D165 WeakPolarHBondContact OG1-CB 3.26Å; T159-D165 PolarHBondContact OG1-OD2 2.81Å; S163-D165 PolarHBondContact O-N 2.82Å; S163-D165 VanDerWaalsContact O-N 3.13Å; S163-D165 PolarHBondContact OG-OD1 2.81Å; D165-F179 HydrophobicContact CB-CD2 4.48Å; D165-T180 WeakPolarHBondContact CA-O 3.48Å; D165-S181 WeakPolarHBondContact OD1-CB 3.31Å; D165-S181 PolarHBondContact OD1-OG 2.53Å; D165-R183 IonicContact OD1-CZ 3.24Å; D165-R183 IonicContact OD1-NE 3.53Å; D165-R183 IonicContact OD1-NH2 2.66Å; D165-R183 PolarHBondContact OD1-NH2 2.82Å; D165-R183 IonicContact OD2-CZ 2.71Å; D165-R183 IonicContact OD2-NH2 3.31Å; D165-R183 PolarHBondContact OD2-NH2 3.03Å |
| 166 | A | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | -167.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | S107 Y144 Y164 G168 F179 T180 | S107-A166 WeakPolarHBondContact OG-CA 2.94Å; S107-A166 WeakPolarHBondContact OG-CB 3.4Å; Y144-A166 HydrophobicContact CG-CB 4.37Å; Y164-A166 HydrophobicContact CE1-CB 3.9Å; Y164-A166 HydrophobicContact CE2-CB 3.82Å; Y164-A166 VanDerWaalsContact CZ-CB 3.49Å; A166-G168 PolarHBondContact O-N 2.84Å; A166-F179 WeakPolarHBondContact O-CB 3.37Å; A166-T180 PolarHBondContact N-O 3.02Å; A166-T180 PolarHBondContact O-N 3.3Å |
| 167 | E | 98.5 | Very high | 96.7 | Very high | 14 Ų | 14 | 32.6 Ų | 32.6 | 7% | 0.065 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 60.5 | 34.2 | 176 | -54 | 174.3 | 172.6 | 0 | 0 | 112.3 | C94 Y164 T180 Y208 G210 G211 R224 | C94-E167 VanDerWaalsContact SG-CA 3.54Å; Y164-E167 PolarHBondContact OH-OE1 2.81Å; E167-T180 WeakPolarHBondContact OE2-CB 3.44Å; E167-T180 PolarHBondContact OE2-OG1 3.06Å; E167-Y208 PolarHBondContact OE1-OH 2.78Å; E167-Y208 PolarHBondContact OE2-OH 2.83Å; E167-G210 WeakPolarHBondContact OE2-CA 3.45Å; E167-G211 PolarHBondContact OE2-N 2.87Å; E167-R224 VanDerWaalsContact CD-NH2 3.29Å; E167-R224 IonicContact OE1-CZ 3.11Å; E167-R224 IonicContact OE1-NH2 2.99Å; E167-R224 PolarHBondContact OE1-NH2 3.35Å; E167-R224 IonicContact OE2-NH2 3.89Å |
| 168 | G | 98.7 | Very high | 96.8 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 128.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A166 V178 | A166-G168 PolarHBondContact O-N 2.84Å; G168-V178 CarbonylContact C-O 3.54Å; G168-V178 VanDerWaalsContact CA-O 3.28Å; G168-V178 WeakPolarHBondContact CA-O 3.29Å |
| 169 | V | 98.8 | Very high | 96.8 | Very high | 9 Ų | 9 | 28.6 Ų | 28.6 | 6% | 0.055 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 138.7 | 177.7 | 175.4 | 0 | 0 | 0 | 0 | 110.4 | F96 I177 V178 A212 F213 F214 | F96-V169 HydrophobicContact CD1-CG1 4.26Å; F96-V169 HydrophobicContact CD2-CG1 4.19Å; F96-V169 HydrophobicContact CD2-CG2 4.32Å; F96-V169 HydrophobicContact CE1-CG1 4.03Å; F96-V169 HydrophobicContact CE2-CG1 3.98Å; F96-V169 HydrophobicContact CG-CG1 4.33Å; F96-V169 HydrophobicContact CZ-CG1 3.89Å; V169-I177 CarbonylContact O-C 3.57Å; V169-I177 VanDerWaalsContact O-CA 3.28Å; V169-I177 WeakPolarHBondContact O-CA 3.3Å; V169-V178 HydrophobicContact CB-CG1 3.9Å; V169-V178 PolarHBondContact N-O 3.38Å; V169-V178 PolarHBondContact O-N 3.36Å; V169-A212 VanDerWaalsContact CG2-O 3.29Å; V169-A212 WeakPolarHBondContact CG2-O 3.27Å; V169-F213 HydrophobicContact CG1-CD1 3.76Å; V169-F213 HydrophobicContact CG1-CE1 4.18Å; V169-F213 HydrophobicContact CG2-CD1 4.03Å; V169-F213 HydrophobicContact CG2-CE1 3.82Å; V169-F213 HydrophobicContact CG2-CZ 4.21Å; V169-F214 HydrophobicContact CG1-CD2 4.43Å |
| 170 | V | 98.8 | Very high | 96.8 | Very high | 3 Ų | 3 | 28.3 Ų | 28.3 | 2% | 0.018 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 139.1 | -179.9 | -178.7 | 0 | 0 | 0 | 0 | 110.6 | F48 F96 L98 I105 S176 I177 I194 | F48-V170 HydrophobicContact CZ-CG1 4.26Å; F96-V170 HydrophobicContact CD1-CB 3.79Å; F96-V170 HydrophobicContact CD1-CG2 4Å; F96-V170 HydrophobicContact CE1-CB 4.09Å; L98-V170 HydrophobicContact CD1-CG2 4.07Å; L98-V170 HydrophobicContact CG-CG2 4.31Å; I105-V170 HydrophobicContact CD1-CG2 3.88Å; I105-V170 HydrophobicContact CG1-CG2 4.26Å; V170-S176 WeakPolarHBondContact CA-O 3.47Å; V170-I177 HydrophobicContact CG2-CG1 4.13Å; V170-I194 HydrophobicContact CG1-CD1 3.72Å; V170-I194 HydrophobicContact CG2-CD1 4.15Å |
| 171 | S | 98.6 | Very high | 97 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.007 | 13% | 0.132 | C | C | . | . | trans | -64.6 | 148 | 175.1 | 62 | 0 | 0 | 0 | 0 | 112.4 | D173 G174 K175 S176 F214 | S171-D173 WeakPolarHBondContact CB-OD1 3.46Å; S171-D173 PolarHBondContact O-N 2.49Å; S171-D173 PolarHBondContact OG-OD1 3.47Å; S171-G174 WeakPolarHBondContact O-CA 3.32Å; S171-G174 PolarHBondContact O-N 2.96Å; S171-G174 PolarHBondContact OG-N 3.19Å; S171-K175 PolarHBondContact OG-N 2.86Å; S171-S176 PolarHBondContact N-O 3.04Å; S171-S176 PolarHBondContact OG-N 2.72Å; S171-S176 PolarHBondContact OG-O 2.95Å; S171-F214 VanDerWaalsContact CA-CD2 3.43Å | ||
| 172 | P | 97.7 | Very high | 97.7 | Very high | 55 Ų | 55 | 21 Ų | 21 | 36% | 0.357 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -33.3 | 174.4 | -31.3 | 34.9 | 0 | 0 | 0 | 114.5 | G174 F214 S215 S218 | P172-G174 PolarHBondContact O-N 3.37Å; P172-F214 VanDerWaalsContact CD-CB 3.45Å; P172-F214 HydrophobicContact CG-CB 4.3Å; P172-S215 WeakPolarHBondContact CG-O 3.28Å; P172-S218 WeakPolarHBondContact CB-OG 3.48Å; P172-S218 VanDerWaalsContact CD-OG 3.25Å; P172-S218 WeakPolarHBondContact CD-OG 3.48Å |
| 173 | D | 97.8 | Very high | 98.2 | Very high | 64 Ų | 64 | 20.1 Ų | 20.1 | 34% | 0.342 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -4.5 | 174.7 | 84.2 | -21.4 | 0 | 0 | 0 | 114.2 | S171 K175 S218 | S171-D173 WeakPolarHBondContact CB-OD1 3.46Å; S171-D173 PolarHBondContact O-N 2.49Å; S171-D173 PolarHBondContact OG-OD1 3.47Å; D173-K175 VanDerWaalsContact C-N 3.28Å; D173-K175 PolarHBondContact O-N 2.9Å; D173-K175 PolarHBondContact OD1-N 2.95Å; D173-K175 VanDerWaalsContact OD1-N 3.16Å; D173-K175 VanDerWaalsContact OD2-CD 3.3Å; D173-K175 WeakPolarHBondContact OD2-CD 3.28Å; D173-K175 WeakPolarHBondContact OD2-CE 3.47Å; D173-K175 IonicContact OD2-NZ 2.64Å; D173-K175 PolarHBondContact OD2-NZ 3.03Å; D173-S218 PolarHBondContact N-OG 2.89Å; D173-S218 VanDerWaalsContact N-OG 3.1Å |
| 174 | G | 97.9 | Very high | 98.3 | Very high | 10 Ų | 10 | 22.3 Ų | 22.3 | 10% | 0.103 | 12% | 0.121 | C | C | . | . | S | Bend | trans | 71.3 | 14.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | S171 P172 I194 | S171-G174 WeakPolarHBondContact O-CA 3.32Å; S171-G174 PolarHBondContact O-N 2.96Å; S171-G174 PolarHBondContact OG-N 3.19Å; P172-G174 PolarHBondContact O-N 3.37Å; G174-I194 WeakPolarHBondContact O-CG1 3.19Å |
| 175 | K | 98.4 | Very high | 98.2 | Very high | 132 Ų | 132 | 24.2 Ų | 24.2 | 57% | 0.574 | 14% | 0.144 | S | C | * | . | S | Bend | trans | -99.4 | -23.8 | -174.5 | -61.7 | -173.6 | -157.9 | 125.6 | 0 | 114.3 | S171 D173 D193 I194 | S171-K175 PolarHBondContact OG-N 2.86Å; D173-K175 VanDerWaalsContact C-N 3.28Å; D173-K175 PolarHBondContact O-N 2.9Å; D173-K175 PolarHBondContact OD1-N 2.95Å; D173-K175 VanDerWaalsContact OD1-N 3.16Å; D173-K175 VanDerWaalsContact OD2-CD 3.3Å; D173-K175 WeakPolarHBondContact OD2-CD 3.28Å; D173-K175 WeakPolarHBondContact OD2-CE 3.47Å; D173-K175 IonicContact OD2-NZ 2.64Å; D173-K175 PolarHBondContact OD2-NZ 3.03Å; K175-D193 CarbonylContact O-C 3.56Å; K175-I194 PolarHBondContact O-N 2.9Å |
| 176 | S | 98.7 | Very high | 98.1 | Very high | 27 Ų | 27 | 24.8 Ų | 24.8 | 19% | 0.189 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 155.5 | -171.9 | -53 | 0 | 0 | 0 | 0 | 111.7 | V170 S171 M192 | V170-S176 WeakPolarHBondContact CA-O 3.47Å; S171-S176 PolarHBondContact N-O 3.04Å; S171-S176 PolarHBondContact OG-N 2.72Å; S171-S176 PolarHBondContact OG-O 2.95Å; S176-M192 CarbonylContact C-O 3.54Å; S176-M192 VanDerWaalsContact CA-O 3.27Å; S176-M192 WeakPolarHBondContact CA-O 3.21Å |
| 177 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 125.6 | 167.9 | -63.7 | 165 | 0 | 0 | 0 | 107.6 | I105 L158 V169 V170 L191 M192 I194 | I105-I177 HydrophobicContact CD1-CD1 4.27Å; I105-I177 HydrophobicContact CD1-CG1 4.32Å; I105-I177 HydrophobicContact CD1-CG2 3.94Å; I105-I177 HydrophobicContact CG2-CD1 4.24Å; L158-I177 HydrophobicContact CD1-CD1 3.47Å; L158-I177 VanDerWaalsContact CD1-CD1 3.47Å; V169-I177 CarbonylContact O-C 3.57Å; V169-I177 VanDerWaalsContact O-CA 3.28Å; V169-I177 WeakPolarHBondContact O-CA 3.3Å; V170-I177 HydrophobicContact CG2-CG1 4.13Å; I177-L191 WeakPolarHBondContact O-CA 3.39Å; I177-M192 HydrophobicContact CB-CE 3.79Å; I177-M192 HydrophobicContact CB-CG 3.9Å; I177-M192 HydrophobicContact CD1-CE 3.73Å; I177-M192 HydrophobicContact CG1-CE 4.37Å; I177-M192 HydrophobicContact CG2-CE 3.61Å; I177-M192 PolarHBondContact N-O 2.89Å; I177-M192 PolarHBondContact O-N 3.33Å; I177-I194 HydrophobicContact CD1-CD1 3.98Å; I177-I194 HydrophobicContact CG1-CD1 3.84Å |
| 178 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 142.1 | 163.9 | 67.5 | 0 | 0 | 0 | 0 | 108.4 | G168 V169 W190 L191 A212 F214 L221 | G168-V178 CarbonylContact C-O 3.54Å; G168-V178 VanDerWaalsContact CA-O 3.28Å; G168-V178 WeakPolarHBondContact CA-O 3.29Å; V169-V178 HydrophobicContact CB-CG1 3.9Å; V169-V178 PolarHBondContact N-O 3.38Å; V169-V178 PolarHBondContact O-N 3.36Å; V178-W190 CarbonylContact C-O 3.57Å; V178-W190 VanDerWaalsContact CA-O 3.31Å; V178-W190 WeakPolarHBondContact CA-O 3.41Å; V178-L191 HydrophobicContact CB-CD2 3.72Å; V178-L191 HydrophobicContact CG2-CD2 4.21Å; V178-A212 HydrophobicContact CG1-CB 4.05Å; V178-A212 HydrophobicContact CG2-CB 3.84Å; V178-F214 HydrophobicContact CB-CE2 3.72Å; V178-F214 HydrophobicContact CB-CZ 3.86Å; V178-F214 HydrophobicContact CG1-CD2 3.97Å; V178-F214 HydrophobicContact CG1-CE2 3.49Å; V178-F214 VanDerWaalsContact CG1-CE2 3.49Å; V178-F214 HydrophobicContact CG1-CZ 4.14Å; V178-L221 HydrophobicContact CB-CD2 3.98Å; V178-L221 HydrophobicContact CG1-CD2 4.08Å; V178-L221 HydrophobicContact CG2-CD1 3.73Å; V178-L221 HydrophobicContact CG2-CD2 3.96Å; V178-L221 HydrophobicContact CG2-CG 4.48Å |
| 179 | F | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 0% | 0.004 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 164.4 | 177.1 | 65.1 | -77.8 | 0 | 0 | 0 | 110.9 | I146 T159 D165 A166 L189 W190 M192 | I146-F179 HydrophobicContact CD1-CB 3.33Å; I146-F179 HydrophobicContact CD1-CD1 4.32Å; I146-F179 HydrophobicContact CD1-CD2 3.73Å; I146-F179 HydrophobicContact CD1-CG 3.56Å; T159-F179 HydrophobicContact CG2-CE2 4.24Å; T159-F179 HydrophobicContact CG2-CZ 4.41Å; D165-F179 HydrophobicContact CB-CD2 4.48Å; A166-F179 WeakPolarHBondContact O-CB 3.37Å; F179-L189 WeakPolarHBondContact O-CA 3.45Å; F179-W190 HydrophobicContact CD1-CB 4.01Å; F179-W190 WeakPolarHBondContact CD1-O 3.4Å; F179-W190 HydrophobicContact CD2-CB 4.24Å; F179-W190 HydrophobicContact CE1-CB 3.5Å; F179-W190 HydrophobicContact CE2-CB 3.77Å; F179-W190 HydrophobicContact CE2-CG 4.34Å; F179-W190 HydrophobicContact CG-CB 4.35Å; F179-W190 HydrophobicContact CZ-CB 3.38Å; F179-W190 HydrophobicContact CZ-CG 4.18Å; F179-W190 PolarHBondContact N-O 2.81Å; F179-W190 PolarHBondContact O-N 2.9Å; F179-M192 HydrophobicContact CD1-CE 4.25Å; F179-M192 HydrophobicContact CD1-CG 4.26Å; F179-M192 HydrophobicContact CD1-SD 4.34Å; F179-M192 HydrophobicContact CE1-CB 4.15Å; F179-M192 HydrophobicContact CE1-CE 4.41Å; F179-M192 HydrophobicContact CE1-CG 3.9Å; F179-M192 HydrophobicContact CE1-SD 3.92Å; F179-M192 HydrophobicContact CZ-SD 4.5Å |
| 180 | T | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 128.3 | 174.7 | -55.4 | 0 | 0 | 0 | 0 | 108.8 | Y164 D165 A166 E167 L187 E188 D209 G210 | Y164-T180 HydrophobicContact CD1-CG2 4.36Å; Y164-T180 HydrophobicContact CE1-CG2 3.97Å; D165-T180 WeakPolarHBondContact CA-O 3.48Å; A166-T180 PolarHBondContact N-O 3.02Å; A166-T180 PolarHBondContact O-N 3.3Å; E167-T180 WeakPolarHBondContact OE2-CB 3.44Å; E167-T180 PolarHBondContact OE2-OG1 3.06Å; T180-L187 HydrophobicContact CG2-CB 4.22Å; T180-L187 HydrophobicContact CG2-CD2 3.89Å; T180-E188 WeakPolarHBondContact CA-O 3.28Å; T180-D209 VanDerWaalsContact CG2-O 3.29Å; T180-D209 WeakPolarHBondContact CG2-O 3.42Å; T180-G210 WeakPolarHBondContact OG1-CA 3.16Å |
| 181 | S | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 142.1 | 177.5 | -170.7 | 0 | 0 | 0 | 0 | 112.9 | S163 Y164 D165 R183 L187 E188 | S163-S181 PolarHBondContact OG-OG 3.46Å; Y164-S181 CarbonylContact O-C 3.59Å; Y164-S181 WeakPolarHBondContact O-CA 3.49Å; D165-S181 WeakPolarHBondContact OD1-CB 3.31Å; D165-S181 PolarHBondContact OD1-OG 2.53Å; S181-R183 WeakPolarHBondContact OG-CB 3.2Å; S181-R183 VanDerWaalsContact OG-CG 3.25Å; S181-R183 WeakPolarHBondContact OG-CG 3.48Å; S181-R183 PolarHBondContact OG-N 2.9Å; S181-R183 PolarHBondContact OG-NE 3.45Å; S181-L187 WeakPolarHBondContact O-CA 3.45Å; S181-E188 PolarHBondContact N-O 2.5Å; S181-E188 PolarHBondContact O-N 2.67Å |
| 182 | S | 98 | Very high | 98.2 | Very high | 22 Ų | 22 | 25.2 Ų | 25.2 | 15% | 0.154 | 15% | 0.146 | C | C | . | . | trans | -92.2 | 2.3 | 169.4 | 71 | 0 | 0 | 0 | 0 | 114.8 | Y164 S184 G185 D186 | Y164-S182 PolarHBondContact N-OG 2.85Å; Y164-S182 PolarHBondContact O-N 3.1Å; S182-S184 PolarHBondContact O-N 3.16Å; S182-S184 VanDerWaalsContact O-N 3.11Å; S182-G185 WeakPolarHBondContact O-CA 3.49Å; S182-G185 PolarHBondContact O-N 3.08Å; S182-D186 WeakPolarHBondContact CA-O 3Å | ||
| 183 | R | 96.7 | Very high | 98.2 | Very high | 64 Ų | 64 | 25 Ų | 25 | 24% | 0.242 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -22.8 | -170.7 | 70.1 | -176.8 | 63.6 | 165.8 | -8.7 | 116 | D161 D165 S181 G185 W190 Q199 | D161-R183 IonicContact OD2-CZ 3.17Å; D161-R183 IonicContact OD2-NE 3.63Å; D161-R183 PolarHBondContact OD2-NE 2.72Å; D161-R183 IonicContact OD2-NH2 2.87Å; D161-R183 PolarHBondContact OD2-NH2 2.86Å; D161-R183 VanDerWaalsContact OD2-NH2 3.14Å; D165-R183 IonicContact OD1-CZ 3.24Å; D165-R183 IonicContact OD1-NE 3.53Å; D165-R183 IonicContact OD1-NH2 2.66Å; D165-R183 PolarHBondContact OD1-NH2 2.82Å; D165-R183 IonicContact OD2-CZ 2.71Å; D165-R183 IonicContact OD2-NH2 3.31Å; D165-R183 PolarHBondContact OD2-NH2 3.03Å; S181-R183 WeakPolarHBondContact OG-CB 3.2Å; S181-R183 VanDerWaalsContact OG-CG 3.25Å; S181-R183 WeakPolarHBondContact OG-CG 3.48Å; S181-R183 PolarHBondContact OG-N 2.9Å; S181-R183 PolarHBondContact OG-NE 3.45Å; R183-G185 PolarHBondContact O-N 3.44Å; R183-W190 HydrophobicContact CG-CD2 4.39Å; R183-W190 HydrophobicContact CG-CH2 3.79Å; R183-W190 HydrophobicContact CG-CZ2 3.36Å; R183-W190 HydrophobicContact CG-CZ3 4.43Å; R183-Q199 VanDerWaalsContact CZ-OE1 3.28Å |
| 184 | S | 96.6 | Very high | 98.2 | Very high | 54 Ų | 54 | 23.8 Ų | 23.8 | 38% | 0.378 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 0.2 | 174 | 39.2 | 0 | 0 | 0 | 0 | 113.4 | S182 D186 | S182-S184 PolarHBondContact O-N 3.16Å; S182-S184 VanDerWaalsContact O-N 3.11Å; S184-D186 VanDerWaalsContact C-N 3.35Å; S184-D186 PolarHBondContact OG-O 2.87Å |
| 185 | G | 95.5 | Very high | 98.2 | Very high | 50 Ų | 50 | 27.9 Ų | 27.9 | 52% | 0.515 | 16% | 0.155 | S | C | . | . | S | Bend | trans | 88 | 4.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | S182 R183 | S182-G185 WeakPolarHBondContact O-CA 3.49Å; S182-G185 PolarHBondContact O-N 3.08Å; R183-G185 PolarHBondContact O-N 3.44Å |
| 186 | D | 97.4 | Very high | 98.2 | Very high | 12 Ų | 12 | 22 Ų | 22 | 6% | 0.064 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -145.3 | 155.9 | 174.9 | -156.7 | -8.8 | 0 | 0 | 0 | 109.3 | S182 S184 E188 S206 G207 Y237 | S182-D186 WeakPolarHBondContact CA-O 3Å; S184-D186 VanDerWaalsContact C-N 3.35Å; S184-D186 PolarHBondContact OG-O 2.87Å; D186-E188 HydrophobicContact CB-CG 4.15Å; D186-E188 PolarHBondContact O-N 2.83Å; D186-S206 VanDerWaalsContact OD2-CA 3.28Å; D186-S206 WeakPolarHBondContact OD2-CA 3.45Å; D186-G207 PolarHBondContact OD2-N 3.49Å; D186-Y237 WeakPolarHBondContact OD1-CE1 3.38Å; D186-Y237 PolarHBondContact OD1-OH 3.05Å |
| 187 | L | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -79.4 | 102 | 177 | -74.3 | 165.5 | 0 | 0 | 0 | 110 | V140 Y164 T180 S181 Y208 D209 L241 V246 | V140-L187 HydrophobicContact CB-CD1 4.35Å; V140-L187 HydrophobicContact CG1-CD1 3.9Å; V140-L187 HydrophobicContact CG2-CD1 4.27Å; Y164-L187 HydrophobicContact CD1-CD2 3.34Å; Y164-L187 HydrophobicContact CE1-CD2 3.89Å; Y164-L187 HydrophobicContact CG-CD2 4.09Å; T180-L187 HydrophobicContact CG2-CB 4.22Å; T180-L187 HydrophobicContact CG2-CD2 3.89Å; S181-L187 WeakPolarHBondContact O-CA 3.45Å; L187-Y208 HydrophobicContact CB-CD2 4.12Å; L187-Y208 HydrophobicContact CD1-CD2 3.54Å; L187-Y208 HydrophobicContact CD1-CE2 3.86Å; L187-Y208 HydrophobicContact CG-CD2 4.47Å; L187-D209 PolarHBondContact O-N 2.92Å; L187-L241 HydrophobicContact CD1-CD2 3.61Å; L187-L241 HydrophobicContact CG-CD2 4.04Å; L187-V246 HydrophobicContact CD1-CG1 3.53Å | ||
| 188 | E | 98.7 | Very high | 98.1 | Very high | 7 Ų | 7 | 29.2 Ų | 29.2 | 3% | 0.033 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 159.3 | -172.4 | -63.6 | -77.6 | -163.4 | 0 | 0 | 110.2 | T180 S181 D186 W190 Q201 T203 N204 I205 | T180-E188 WeakPolarHBondContact CA-O 3.28Å; S181-E188 PolarHBondContact N-O 2.5Å; S181-E188 PolarHBondContact O-N 2.67Å; D186-E188 HydrophobicContact CB-CG 4.15Å; D186-E188 PolarHBondContact O-N 2.83Å; E188-W190 VanDerWaalsContact O-CD1 3.28Å; E188-Q201 HydrophobicContact CB-CG 4.3Å; E188-T203 WeakPolarHBondContact OE2-CB 3.24Å; E188-T203 PolarHBondContact OE2-OG1 3.19Å; E188-N204 VanDerWaalsContact OE1-CA 3.23Å; E188-N204 WeakPolarHBondContact OE1-CA 3.31Å; E188-N204 PolarHBondContact OE2-N 2.79Å; E188-I205 PolarHBondContact OE1-N 2.87Å |
| 189 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 135.1 | 170.1 | -60.3 | -176.7 | 0 | 0 | 0 | 110.6 | F179 V202 T203 D209 A212 L221 F223 | F179-L189 WeakPolarHBondContact O-CA 3.45Å; L189-V202 HydrophobicContact CB-CB 4.25Å; L189-V202 WeakPolarHBondContact O-CB 3.41Å; L189-V202 PolarHBondContact O-N 3.32Å; L189-T203 HydrophobicContact CB-CG2 4.01Å; L189-T203 HydrophobicContact CD1-CG2 3.96Å; L189-T203 HydrophobicContact CG-CG2 4.05Å; L189-T203 PolarHBondContact N-OG1 3.44Å; L189-D209 HydrophobicContact CG-CB 4.2Å; L189-A212 HydrophobicContact CD1-CB 3.88Å; L189-A212 HydrophobicContact CD2-CB 3.76Å; L189-A212 HydrophobicContact CG-CB 4.48Å; L189-L221 HydrophobicContact CD1-CD1 4.27Å; L189-F223 HydrophobicContact CD1-CB 3.89Å; L189-F223 HydrophobicContact CD1-CD1 3.79Å; L189-F223 HydrophobicContact CD1-CD2 3.88Å; L189-F223 HydrophobicContact CD1-CE1 4.24Å; L189-F223 HydrophobicContact CD1-CE2 4.3Å; L189-F223 HydrophobicContact CD1-CG 3.6Å; L189-F223 HydrophobicContact CD1-CZ 4.47Å |
| 190 | W | 98.8 | Very high | 98.1 | Very high | 31 Ų | 31 | 37.1 Ų | 37.1 | 12% | 0.117 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 152.5 | 175.9 | -69.6 | 69.3 | 0 | 0 | 0 | 110.1 | V178 F179 R183 E188 R200 Q201 | V178-W190 CarbonylContact C-O 3.57Å; V178-W190 VanDerWaalsContact CA-O 3.31Å; V178-W190 WeakPolarHBondContact CA-O 3.41Å; F179-W190 HydrophobicContact CD1-CB 4.01Å; F179-W190 WeakPolarHBondContact CD1-O 3.4Å; F179-W190 HydrophobicContact CD2-CB 4.24Å; F179-W190 HydrophobicContact CE1-CB 3.5Å; F179-W190 HydrophobicContact CE2-CB 3.77Å; F179-W190 HydrophobicContact CE2-CG 4.34Å; F179-W190 HydrophobicContact CG-CB 4.35Å; F179-W190 HydrophobicContact CZ-CB 3.38Å; F179-W190 HydrophobicContact CZ-CG 4.18Å; F179-W190 PolarHBondContact N-O 2.81Å; F179-W190 PolarHBondContact O-N 2.9Å; R183-W190 HydrophobicContact CG-CD2 4.39Å; R183-W190 HydrophobicContact CG-CH2 3.79Å; R183-W190 HydrophobicContact CG-CZ2 3.36Å; R183-W190 HydrophobicContact CG-CZ3 4.43Å; E188-W190 VanDerWaalsContact O-CD1 3.28Å; W190-R200 CarbonylContact C-O 3.6Å; W190-R200 VanDerWaalsContact CA-O 3.25Å; W190-R200 WeakPolarHBondContact CA-O 3.07Å; W190-Q201 HydrophobicContact CD2-CB 3.92Å; W190-Q201 HydrophobicContact CD2-CG 4.39Å; W190-Q201 HydrophobicContact CE3-CB 4.06Å; W190-Q201 HydrophobicContact CH2-CB 3.72Å; W190-Q201 HydrophobicContact CH2-CG 4.47Å; W190-Q201 HydrophobicContact CZ2-CB 3.58Å; W190-Q201 HydrophobicContact CZ2-CG 3.85Å; W190-Q201 HydrophobicContact CZ3-CB 3.96Å |
| 191 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 140.7 | 173.8 | -80.8 | 166.9 | 0 | 0 | 0 | 109.7 | I177 V178 Q199 R200 V202 F214 L221 V258 | I177-L191 WeakPolarHBondContact O-CA 3.39Å; V178-L191 HydrophobicContact CB-CD2 3.72Å; V178-L191 HydrophobicContact CG2-CD2 4.21Å; L191-Q199 CarbonylContact O-C 3.56Å; L191-Q199 VanDerWaalsContact O-CA 3.27Å; L191-Q199 WeakPolarHBondContact O-CA 3.26Å; L191-R200 HydrophobicContact CB-CG 4.43Å; L191-R200 VanDerWaalsContact CB-NH1 3.27Å; L191-R200 PolarHBondContact N-O 2.82Å; L191-R200 PolarHBondContact O-N 2.94Å; L191-V202 HydrophobicContact CB-CG2 3.99Å; L191-V202 HydrophobicContact CD1-CG2 3.53Å; L191-V202 HydrophobicContact CG-CG2 3.63Å; L191-F214 HydrophobicContact CD2-CE1 3.92Å; L191-F214 HydrophobicContact CD2-CZ 3.46Å; L191-F214 VanDerWaalsContact CD2-CZ 3.46Å; L191-L221 HydrophobicContact CD1-CD1 4.47Å; L191-V258 HydrophobicContact CD1-CB 3.97Å; L191-V258 HydrophobicContact CD1-CG1 4.46Å; L191-V258 WeakPolarHBondContact CD1-O 3.39Å |
| 192 | M | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 161 | 170.3 | 63.4 | -175.3 | 173.8 | 0 | 0 | 110.5 | I146 L158 T159 S176 I177 F179 Q199 | I146-M192 HydrophobicContact CD1-CE 4.13Å; I146-M192 HydrophobicContact CG2-CE 4.26Å; L158-M192 HydrophobicContact CB-CE 3.74Å; L158-M192 HydrophobicContact CB-SD 4.13Å; L158-M192 HydrophobicContact CD1-CE 3.72Å; L158-M192 HydrophobicContact CG-CE 4.41Å; T159-M192 HydrophobicContact CG2-SD 4.41Å; S176-M192 CarbonylContact C-O 3.54Å; S176-M192 VanDerWaalsContact CA-O 3.27Å; S176-M192 WeakPolarHBondContact CA-O 3.21Å; I177-M192 HydrophobicContact CB-CE 3.79Å; I177-M192 HydrophobicContact CB-CG 3.9Å; I177-M192 HydrophobicContact CD1-CE 3.73Å; I177-M192 HydrophobicContact CG1-CE 4.37Å; I177-M192 HydrophobicContact CG2-CE 3.61Å; I177-M192 PolarHBondContact N-O 2.89Å; I177-M192 PolarHBondContact O-N 3.33Å; F179-M192 HydrophobicContact CD1-CE 4.25Å; F179-M192 HydrophobicContact CD1-CG 4.26Å; F179-M192 HydrophobicContact CD1-SD 4.34Å; F179-M192 HydrophobicContact CE1-CB 4.15Å; F179-M192 HydrophobicContact CE1-CE 4.41Å; F179-M192 HydrophobicContact CE1-CG 3.9Å; F179-M192 HydrophobicContact CE1-SD 3.92Å; F179-M192 HydrophobicContact CZ-SD 4.5Å; M192-Q199 HydrophobicContact CB-CB 4.33Å; M192-Q199 HydrophobicContact CB-CG 3.79Å |
| 193 | D | 98.8 | Very high | 98.1 | Very high | 51 Ų | 51 | 40.2 Ų | 40.2 | 27% | 0.273 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 158.7 | 168 | -71 | -8.7 | 0 | 0 | 0 | 109.9 | K175 N195 G196 T197 N198 | K175-D193 CarbonylContact O-C 3.56Å; D193-N195 WeakPolarHBondContact CB-OD1 3.39Å; D193-N195 PolarHBondContact O-N 3.34Å; D193-G196 PolarHBondContact O-N 2.8Å; D193-T197 PolarHBondContact N-O 2.95Å; D193-T197 PolarHBondContact OD2-OG1 3.05Å; D193-N198 PolarHBondContact OD2-ND2 2.85Å |
| 194 | I | 98.2 | Very high | 98.2 | Very high | 38 Ų | 38 | 43.3 Ų | 43.3 | 20% | 0.195 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -21.6 | -178.5 | -161.9 | 61.5 | 0 | 0 | 0 | 113.6 | L98 M148 V170 G174 K175 I177 | L98-I194 HydrophobicContact CD2-CD1 4.05Å; L98-I194 HydrophobicContact CD2-CG1 4.01Å; L98-I194 HydrophobicContact CG-CD1 4.1Å; M148-I194 WeakPolarHBondContact CE-O 3.33Å; V170-I194 HydrophobicContact CG1-CD1 3.72Å; V170-I194 HydrophobicContact CG2-CD1 4.15Å; G174-I194 WeakPolarHBondContact O-CG1 3.19Å; K175-I194 PolarHBondContact O-N 2.9Å; I177-I194 HydrophobicContact CD1-CD1 3.98Å; I177-I194 HydrophobicContact CG1-CD1 3.84Å |
| 195 | N | 97.4 | Very high | 98.2 | Very high | 97 Ų | 97 | 44 Ų | 44 | 52% | 0.519 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 5.2 | 177.3 | 67.8 | 2 | 0 | 0 | 0 | 113.9 | D193 T197 | D193-N195 WeakPolarHBondContact CB-OD1 3.39Å; D193-N195 PolarHBondContact O-N 3.34Å; N195-T197 PolarHBondContact ND2-OG1 3.49Å; N195-T197 WeakPolarHBondContact OD1-CB 3.42Å; N195-T197 WeakPolarHBondContact OD1-CG2 3.39Å; N195-T197 PolarHBondContact OD1-N 2.92Å; N195-T197 PolarHBondContact OD1-OG1 3.28Å |
| 196 | G | 98.2 | Very high | 98.2 | Very high | 9 Ų | 9 | 44.6 Ų | 44.6 | 9% | 0.093 | 23% | 0.233 | C | C | . | . | S | Bend | trans | 86.9 | -2.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | D193 Q199 | D193-G196 PolarHBondContact O-N 2.8Å; G196-Q199 VanDerWaalsContact O-CG 3.31Å; G196-Q199 WeakPolarHBondContact O-CG 3.06Å; G196-Q199 PolarHBondContact O-NE2 3.1Å |
| 197 | T | 98.5 | Very high | 98.2 | Very high | 66 Ų | 66 | 44 Ų | 44 | 41% | 0.405 | 23% | 0.23 | S | C | . | . | trans | -85.6 | 171.9 | 178.9 | 67 | 0 | 0 | 0 | 0 | 112.4 | D193 N195 Q199 | D193-T197 PolarHBondContact N-O 2.95Å; D193-T197 PolarHBondContact OD2-OG1 3.05Å; N195-T197 PolarHBondContact ND2-OG1 3.49Å; N195-T197 WeakPolarHBondContact OD1-CB 3.42Å; N195-T197 WeakPolarHBondContact OD1-CG2 3.39Å; N195-T197 PolarHBondContact OD1-N 2.92Å; N195-T197 PolarHBondContact OD1-OG1 3.28Å; T197-Q199 VanDerWaalsContact C-N 3.32Å; T197-Q199 PolarHBondContact O-N 2.83Å | ||
| 198 | N | 98.1 | Very high | 98.1 | Very high | 112 Ų | 112 | 44.3 Ų | 44.3 | 60% | 0.599 | 23% | 0.231 | S | C | * | . | S | Bend | trans | 56.4 | 39.7 | 176.8 | -61.6 | -41 | 0 | 0 | 0 | 114.8 | D193 R200 | D193-N198 PolarHBondContact OD2-ND2 2.85Å; N198-R200 PolarHBondContact O-N 2.97Å |
| 199 | Q | 98.3 | Very high | 98.1 | Very high | 66 Ų | 66 | 44 Ų | 44 | 31% | 0.308 | 23% | 0.229 | S | C | . | . | trans | -65.9 | 127.7 | 178.3 | -44.6 | -165.6 | 8.8 | 0 | 0 | 110.7 | L158 R183 L191 M192 G196 T197 | L158-Q199 PolarHBondContact O-NE2 2.9Å; R183-Q199 VanDerWaalsContact CZ-OE1 3.28Å; L191-Q199 CarbonylContact O-C 3.56Å; L191-Q199 VanDerWaalsContact O-CA 3.27Å; L191-Q199 WeakPolarHBondContact O-CA 3.26Å; M192-Q199 HydrophobicContact CB-CB 4.33Å; M192-Q199 HydrophobicContact CB-CG 3.79Å; G196-Q199 VanDerWaalsContact O-CG 3.31Å; G196-Q199 WeakPolarHBondContact O-CG 3.06Å; G196-Q199 PolarHBondContact O-NE2 3.1Å; T197-Q199 VanDerWaalsContact C-N 3.32Å; T197-Q199 PolarHBondContact O-N 2.83Å | ||
| 200 | R | 98.4 | Very high | 98.1 | Very high | 100 Ų | 100 | 44 Ų | 44 | 38% | 0.377 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 147.8 | 178.9 | 73.9 | -173.4 | -177.4 | -70.4 | 0.2 | 111.7 | W190 L191 N198 V258 | W190-R200 CarbonylContact C-O 3.6Å; W190-R200 VanDerWaalsContact CA-O 3.25Å; W190-R200 WeakPolarHBondContact CA-O 3.07Å; L191-R200 HydrophobicContact CB-CG 4.43Å; L191-R200 VanDerWaalsContact CB-NH1 3.27Å; L191-R200 PolarHBondContact N-O 2.82Å; L191-R200 PolarHBondContact O-N 2.94Å; N198-R200 PolarHBondContact O-N 2.97Å; R200-V258 PolarHBondContact NH2-O 2.9Å |
| 201 | Q | 98.5 | Very high | 98.1 | Very high | 73 Ų | 73 | 42.8 Ų | 42.8 | 34% | 0.341 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 141 | 174.7 | -169.3 | 170.1 | -8.1 | 0 | 0 | 110.6 | E188 W190 T203 | E188-Q201 HydrophobicContact CB-CG 4.3Å; W190-Q201 HydrophobicContact CD2-CB 3.92Å; W190-Q201 HydrophobicContact CD2-CG 4.39Å; W190-Q201 HydrophobicContact CE3-CB 4.06Å; W190-Q201 HydrophobicContact CH2-CB 3.72Å; W190-Q201 HydrophobicContact CH2-CG 4.47Å; W190-Q201 HydrophobicContact CZ2-CB 3.58Å; W190-Q201 HydrophobicContact CZ2-CG 3.85Å; W190-Q201 HydrophobicContact CZ3-CB 3.96Å; Q201-T203 VanDerWaalsContact CD-O 3.31Å; Q201-T203 WeakPolarHBondContact CG-O 3.41Å; Q201-T203 PolarHBondContact NE2-O 2.84Å |
| 202 | V | 98.8 | Very high | 98.1 | Very high | 13 Ų | 13 | 42.9 Ų | 42.9 | 8% | 0.079 | 23% | 0.227 | C | C | . | . | trans | -111.9 | -43.8 | -177.9 | -175.9 | 0 | 0 | 0 | 0 | 111.3 | L189 L191 L221 I256 | L189-V202 HydrophobicContact CB-CB 4.25Å; L189-V202 WeakPolarHBondContact O-CB 3.41Å; L189-V202 PolarHBondContact O-N 3.32Å; L191-V202 HydrophobicContact CB-CG2 3.99Å; L191-V202 HydrophobicContact CD1-CG2 3.53Å; L191-V202 HydrophobicContact CG-CG2 3.63Å; V202-L221 HydrophobicContact CG1-CD1 4.19Å; V202-I256 HydrophobicContact CG1-CD1 4.27Å; V202-I256 HydrophobicContact CG1-CG2 4.33Å | ||
| 203 | T | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | trans | -106 | 154.5 | 176.9 | 57.8 | 0 | 0 | 0 | 0 | 110.7 | E188 L189 Q201 D209 F223 I256 M263 | E188-T203 WeakPolarHBondContact OE2-CB 3.24Å; E188-T203 PolarHBondContact OE2-OG1 3.19Å; L189-T203 HydrophobicContact CB-CG2 4.01Å; L189-T203 HydrophobicContact CD1-CG2 3.96Å; L189-T203 HydrophobicContact CG-CG2 4.05Å; L189-T203 PolarHBondContact N-OG1 3.44Å; Q201-T203 VanDerWaalsContact CD-O 3.31Å; Q201-T203 WeakPolarHBondContact CG-O 3.41Å; Q201-T203 PolarHBondContact NE2-O 2.84Å; T203-D209 WeakPolarHBondContact CB-OD2 3.44Å; T203-D209 PolarHBondContact OG1-OD2 2.92Å; T203-F223 HydrophobicContact CG2-CE2 4.39Å; T203-F223 HydrophobicContact CG2-CZ 4.16Å; T203-I256 HydrophobicContact CG2-CD1 4.09Å; T203-M263 HydrophobicContact CG2-CE 3.72Å | ||
| 204 | N | 97.4 | Very high | 98.1 | Very high | 130 Ų | 130 | 41.5 Ų | 41.5 | 70% | 0.695 | 22% | 0.219 | S | C | * | . | trans | -153.1 | 30.8 | -177.6 | 64 | 3 | 0 | 0 | 0 | 113.1 | E188 | E188-N204 VanDerWaalsContact OE1-CA 3.23Å; E188-N204 WeakPolarHBondContact OE1-CA 3.31Å; E188-N204 PolarHBondContact OE2-N 2.79Å | ||
| 205 | I | 96.9 | Very high | 98.1 | Very high | 68 Ų | 68 | 39.9 Ų | 39.9 | 35% | 0.349 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -106 | 122.7 | -178.8 | -58.8 | -174 | 0 | 0 | 0 | 108.1 | E188 G207 H227 M263 | E188-I205 PolarHBondContact OE1-N 2.87Å; I205-G207 PolarHBondContact O-N 2.87Å; I205-H227 HydrophobicContact CG2-CB 3.85Å; I205-M263 HydrophobicContact CD1-CE 3.97Å; I205-M263 HydrophobicContact CD1-SD 3.53Å; I205-M263 VanDerWaalsContact CD1-SD 3.53Å; I205-M263 HydrophobicContact CG1-CE 4.33Å; I205-M263 HydrophobicContact CG1-SD 4.48Å |
| 206 | S | 96.6 | Very high | 98.1 | Very high | 62 Ų | 62 | 38 Ų | 38 | 43% | 0.434 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -53.3 | 128.3 | -175 | -60.7 | 0 | 0 | 0 | 0 | 113.3 | D186 H227 V228 | D186-S206 VanDerWaalsContact OD2-CA 3.28Å; D186-S206 WeakPolarHBondContact OD2-CA 3.45Å; S206-H227 WeakPolarHBondContact O-CA 3.39Å; S206-V228 PolarHBondContact O-N 3.13Å |
| 207 | G | 96.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 126.7 | 177.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | D186 I205 D209 N226 Y237 | D186-G207 PolarHBondContact OD2-N 3.49Å; I205-G207 PolarHBondContact O-N 2.87Å; G207-D209 PolarHBondContact O-N 2.94Å; G207-N226 WeakPolarHBondContact CA-O 3.33Å; G207-Y237 PolarHBondContact O-OH 2.91Å |
| 208 | Y | 97.6 | Very high | 98.1 | Very high | 7 Ų | 7 | 40.2 Ų | 40.2 | 3% | 0.027 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 125.6 | -178 | 177 | -82 | 0 | 0 | 0 | 110.6 | E167 L187 R224 A225 N226 Y237 V246 M251 | E167-Y208 PolarHBondContact OE1-OH 2.78Å; E167-Y208 PolarHBondContact OE2-OH 2.83Å; L187-Y208 HydrophobicContact CB-CD2 4.12Å; L187-Y208 HydrophobicContact CD1-CD2 3.54Å; L187-Y208 HydrophobicContact CD1-CE2 3.86Å; L187-Y208 HydrophobicContact CG-CD2 4.47Å; Y208-R224 HydrophobicContact CE1-CG 4.09Å; Y208-R224 PolarHBondContact OH-NE 3.5Å; Y208-R224 PolarHBondContact OH-NH2 2.69Å; Y208-A225 CarbonylContact O-C 3.5Å; Y208-A225 WeakPolarHBondContact O-CA 3.14Å; Y208-N226 PolarHBondContact N-O 3.3Å; Y208-N226 PolarHBondContact O-N 2.88Å; Y208-Y237 WeakPolarHBondContact CA-OH 3.41Å; Y208-Y237 PolarHBondContact N-OH 2.84Å; Y208-V246 HydrophobicContact CD2-CB 4.36Å; Y208-V246 HydrophobicContact CD2-CG1 4.05Å; Y208-V246 HydrophobicContact CD2-CG2 4Å; Y208-V246 HydrophobicContact CE2-CG2 4.13Å; Y208-M251 HydrophobicContact CD1-CE 3.42Å; Y208-M251 VanDerWaalsContact CD1-CE 3.42Å; Y208-M251 HydrophobicContact CE1-CE 3.37Å; Y208-M251 HydrophobicContact CG-CE 4.4Å |
| 209 | D | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 126.3 | 162.4 | -73.3 | -22.9 | 0 | 0 | 0 | 109.6 | T180 L187 L189 T203 G207 F223 A225 H227 | T180-D209 VanDerWaalsContact CG2-O 3.29Å; T180-D209 WeakPolarHBondContact CG2-O 3.42Å; L187-D209 PolarHBondContact O-N 2.92Å; L189-D209 HydrophobicContact CG-CB 4.2Å; T203-D209 WeakPolarHBondContact CB-OD2 3.44Å; T203-D209 PolarHBondContact OG1-OD2 2.92Å; G207-D209 PolarHBondContact O-N 2.94Å; D209-F223 HydrophobicContact CB-CD2 4.32Å; D209-F223 HydrophobicContact CB-CE2 4.2Å; D209-F223 WeakPolarHBondContact OD1-CE2 3.08Å; D209-A225 WeakPolarHBondContact OD1-CB 3.23Å; D209-H227 IonicContact OD1-CD2 3.3Å; D209-H227 PolarHBondContact OD1-CD2 2.61Å; D209-H227 IonicContact OD1-CE1 3.89Å; D209-H227 IonicContact OD1-NE2 2.66Å; D209-H227 PolarHBondContact OD1-NE2 3.37Å; D209-H227 IonicContact OD2-NE2 2.78Å; D209-H227 PolarHBondContact OD2-NE2 3.2Å |
| 210 | G | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.1 | 179.5 | -179 | 0 | 0 | 0 | 0 | 0 | 116.2 | E167 T180 A212 R224 | E167-G210 WeakPolarHBondContact OE2-CA 3.45Å; T180-G210 WeakPolarHBondContact OG1-CA 3.16Å; G210-A212 PolarHBondContact O-N 3.29Å; G210-R224 PolarHBondContact N-O 3.48Å; G210-R224 VanDerWaalsContact N-O 3.09Å; G210-R224 WeakPolarHBondContact O-CG 3.4Å; G210-R224 PolarHBondContact O-N 2.82Å; G210-R224 VanDerWaalsContact O-N 3.1Å |
| 211 | G | 98 | Very high | 98.2 | Very high | 6 Ų | 6 | 32.3 Ų | 32.3 | 6% | 0.062 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 60.5 | 46.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | E167 | E167-G211 PolarHBondContact OE2-N 2.87Å |
| 212 | A | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.008 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 148.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | V169 V178 L189 G210 V222 F223 | V169-A212 VanDerWaalsContact CG2-O 3.29Å; V169-A212 WeakPolarHBondContact CG2-O 3.27Å; V178-A212 HydrophobicContact CG1-CB 4.05Å; V178-A212 HydrophobicContact CG2-CB 3.84Å; L189-A212 HydrophobicContact CD1-CB 3.88Å; L189-A212 HydrophobicContact CD2-CB 3.76Å; L189-A212 HydrophobicContact CG-CB 4.48Å; G210-A212 PolarHBondContact O-N 3.29Å; A212-V222 CarbonylContact C-O 3.53Å; A212-V222 WeakPolarHBondContact CA-O 3.44Å; A212-F223 HydrophobicContact CB-CB 3.82Å |
| 213 | F | 98.8 | Very high | 98.2 | Very high | 11 Ų | 11 | 28.2 Ų | 28.2 | 5% | 0.048 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 147.8 | 169.9 | -70.4 | -91.9 | 0 | 0 | 0 | 110.6 | Y45 F96 V169 L221 V222 P276 Y277 | Y45-F213 HydrophobicContact CD1-CE1 4.41Å; Y45-F213 HydrophobicContact CD1-CZ 4.43Å; Y45-F213 HydrophobicContact CE1-CE1 4.1Å; Y45-F213 AromaticContact CE1-CZ 3.7Å; Y45-F213 HydrophobicContact CE1-CZ 3.7Å; Y45-F213 HydrophobicContact CE2-CZ 4.14Å; Y45-F213 AromaticContact CZ-CZ 3.54Å; F96-F213 HydrophobicContact CE2-CE1 4.07Å; V169-F213 HydrophobicContact CG1-CD1 3.76Å; V169-F213 HydrophobicContact CG1-CE1 4.18Å; V169-F213 HydrophobicContact CG2-CD1 4.03Å; V169-F213 HydrophobicContact CG2-CE1 3.82Å; V169-F213 HydrophobicContact CG2-CZ 4.21Å; F213-L221 CarbonylContact O-C 3.59Å; F213-L221 VanDerWaalsContact O-CA 3.29Å; F213-L221 WeakPolarHBondContact O-CA 3.4Å; F213-V222 HydrophobicContact CB-CG1 4.06Å; F213-V222 PolarHBondContact N-O 3.36Å; F213-V222 PolarHBondContact O-N 3.18Å; F213-P276 WeakPolarHBondContact CD2-O 3.42Å; F213-P276 WeakPolarHBondContact CE2-O 3.37Å; F213-Y277 HydrophobicContact CB-CD2 4.13Å; F213-Y277 HydrophobicContact CB-CE2 4.48Å; F213-Y277 AromaticContact CD1-CD2 3.45Å; F213-Y277 HydrophobicContact CD1-CD2 3.45Å; F213-Y277 VanDerWaalsContact CD1-CD2 3.45Å; F213-Y277 AromaticContact CD1-CE2 3.56Å; F213-Y277 HydrophobicContact CD1-CE2 3.56Å; F213-Y277 HydrophobicContact CD2-CD2 4.33Å; F213-Y277 AromaticContact CE1-CD2 3.88Å; F213-Y277 HydrophobicContact CE1-CD2 3.88Å; F213-Y277 HydrophobicContact CE1-CE2 4.07Å; F213-Y277 AromaticContact CG-CD2 3.7Å; F213-Y277 HydrophobicContact CG-CD2 3.7Å; F213-Y277 HydrophobicContact CG-CE2 4.18Å; F213-Y277 HydrophobicContact CZ-CD2 4.48Å |
| 214 | F | 98.8 | Very high | 98.2 | Very high | 11 Ų | 11 | 28.8 Ų | 28.8 | 5% | 0.048 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 149.5 | 174.7 | -71.1 | -92.4 | 0 | 0 | 0 | 112.1 | V169 S171 P172 V178 L191 K220 L221 V258 Y278 | V169-F214 HydrophobicContact CG1-CD2 4.43Å; S171-F214 VanDerWaalsContact CA-CD2 3.43Å; P172-F214 VanDerWaalsContact CD-CB 3.45Å; P172-F214 HydrophobicContact CG-CB 4.3Å; V178-F214 HydrophobicContact CB-CE2 3.72Å; V178-F214 HydrophobicContact CB-CZ 3.86Å; V178-F214 HydrophobicContact CG1-CD2 3.97Å; V178-F214 HydrophobicContact CG1-CE2 3.49Å; V178-F214 VanDerWaalsContact CG1-CE2 3.49Å; V178-F214 HydrophobicContact CG1-CZ 4.14Å; L191-F214 HydrophobicContact CD2-CE1 3.92Å; L191-F214 HydrophobicContact CD2-CZ 3.46Å; L191-F214 VanDerWaalsContact CD2-CZ 3.46Å; F214-K220 CarbonylContact C-O 3.53Å; F214-K220 WeakPolarHBondContact CA-O 3.28Å; F214-L221 HydrophobicContact CD1-CD2 3.56Å; F214-L221 HydrophobicContact CD2-CD2 4.17Å; F214-L221 HydrophobicContact CE1-CD2 3.65Å; F214-L221 HydrophobicContact CE2-CD2 4.26Å; F214-L221 HydrophobicContact CG-CD2 3.85Å; F214-L221 HydrophobicContact CZ-CD2 4.02Å; F214-V258 HydrophobicContact CD1-CG1 4.02Å; F214-V258 HydrophobicContact CE1-CG1 3.84Å; F214-Y278 WeakPolarHBondContact O-CD2 3.2Å |
| 215 | S | 98.5 | Very high | 98.2 | Very high | 5 Ų | 5 | 22.7 Ų | 22.7 | 4% | 0.035 | 13% | 0.129 | C | C | . | . | trans | -62.1 | 156.1 | 161.5 | 58.4 | 0 | 0 | 0 | 0 | 111.1 | P172 D217 S218 T219 K220 | P172-S215 WeakPolarHBondContact CG-O 3.28Å; S215-D217 WeakPolarHBondContact CB-OD1 3.25Å; S215-D217 PolarHBondContact O-N 2.81Å; S215-D217 VanDerWaalsContact O-N 3.08Å; S215-D217 PolarHBondContact OG-OD1 3.29Å; S215-S218 WeakPolarHBondContact O-CA 3.19Å; S215-S218 PolarHBondContact O-N 3.39Å; S215-T219 PolarHBondContact OG-N 3.3Å; S215-K220 PolarHBondContact N-O 2.94Å; S215-K220 PolarHBondContact OG-N 3.41Å; S215-K220 PolarHBondContact OG-O 2.67Å | ||
| 216 | P | 98.1 | Very high | 98.2 | Very high | 57 Ų | 57 | 22.1 Ų | 22.1 | 37% | 0.37 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -28.1 | -178.7 | -28.1 | 36.5 | 0 | 0 | 0 | 114.5 | ||
| 217 | D | 98.1 | Very high | 98.2 | Very high | 103 Ų | 103 | 20 Ų | 20 | 55% | 0.551 | 11% | 0.111 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | 3.4 | 176.9 | 68.1 | -1.2 | 0 | 0 | 0 | 114.1 | S215 T219 | S215-D217 WeakPolarHBondContact CB-OD1 3.25Å; S215-D217 PolarHBondContact O-N 2.81Å; S215-D217 VanDerWaalsContact O-N 3.08Å; S215-D217 PolarHBondContact OG-OD1 3.29Å; D217-T219 HydrophobicContact CB-CG2 4.33Å; D217-T219 PolarHBondContact O-N 3.19Å; D217-T219 PolarHBondContact OD1-N 2.77Å; D217-T219 VanDerWaalsContact OD1-N 3.08Å; D217-T219 PolarHBondContact OD1-OG1 3.13Å; D217-T219 PolarHBondContact OD2-OG1 3.35Å; D217-T219 VanDerWaalsContact OD2-OG1 3.08Å |
| 218 | S | 98.4 | Very high | 98.1 | Very high | 18 Ų | 18 | 21.7 Ų | 21.7 | 13% | 0.126 | 12% | 0.12 | C | C | . | . | S | Bend | trans | 62 | 16.9 | -178 | -48.2 | 0 | 0 | 0 | 0 | 115.5 | P172 D173 S215 | P172-S218 WeakPolarHBondContact CB-OG 3.48Å; P172-S218 VanDerWaalsContact CD-OG 3.25Å; P172-S218 WeakPolarHBondContact CD-OG 3.48Å; D173-S218 PolarHBondContact N-OG 2.89Å; D173-S218 VanDerWaalsContact N-OG 3.1Å; S215-S218 WeakPolarHBondContact O-CA 3.19Å; S215-S218 PolarHBondContact O-N 3.39Å |
| 219 | T | 98.5 | Very high | 97.9 | Very high | 63 Ų | 63 | 28.3 Ų | 28.3 | 39% | 0.387 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -95.6 | -20.4 | -176.6 | 68.1 | 0 | 0 | 0 | 0 | 114.5 | S215 D217 V258 | S215-T219 PolarHBondContact OG-N 3.3Å; D217-T219 HydrophobicContact CB-CG2 4.33Å; D217-T219 PolarHBondContact O-N 3.19Å; D217-T219 PolarHBondContact OD1-N 2.77Å; D217-T219 VanDerWaalsContact OD1-N 3.08Å; D217-T219 PolarHBondContact OD1-OG1 3.13Å; D217-T219 PolarHBondContact OD2-OG1 3.35Å; D217-T219 VanDerWaalsContact OD2-OG1 3.08Å; T219-V258 WeakPolarHBondContact O-CG2 3.24Å; T219-V258 PolarHBondContact O-N 3.25Å |
| 220 | K | 98.7 | Very high | 97.8 | Very high | 49 Ų | 49 | 31.6 Ų | 31.6 | 21% | 0.213 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 163 | -179.2 | -62.9 | -179 | -177.5 | 176.3 | 0 | 111.4 | F214 S215 I256 D307 | F214-K220 CarbonylContact C-O 3.53Å; F214-K220 WeakPolarHBondContact CA-O 3.28Å; S215-K220 PolarHBondContact N-O 2.94Å; S215-K220 PolarHBondContact OG-N 3.41Å; S215-K220 PolarHBondContact OG-O 2.67Å; K220-I256 CarbonylContact C-O 3.53Å; K220-I256 VanDerWaalsContact CA-O 3.27Å; K220-I256 WeakPolarHBondContact CA-O 3.26Å; K220-I256 WeakPolarHBondContact CB-O 3.4Å; K220-D307 IonicContact NZ-OD2 2.61Å |
| 221 | L | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 147.6 | 166.6 | -58.6 | 172.3 | 0 | 0 | 0 | 109.1 | V178 L189 L191 V202 F213 F214 T255 I256 V258 | V178-L221 HydrophobicContact CB-CD2 3.98Å; V178-L221 HydrophobicContact CG1-CD2 4.08Å; V178-L221 HydrophobicContact CG2-CD1 3.73Å; V178-L221 HydrophobicContact CG2-CD2 3.96Å; V178-L221 HydrophobicContact CG2-CG 4.48Å; L189-L221 HydrophobicContact CD1-CD1 4.27Å; L191-L221 HydrophobicContact CD1-CD1 4.47Å; V202-L221 HydrophobicContact CG1-CD1 4.19Å; F213-L221 CarbonylContact O-C 3.59Å; F213-L221 VanDerWaalsContact O-CA 3.29Å; F213-L221 WeakPolarHBondContact O-CA 3.4Å; F214-L221 HydrophobicContact CD1-CD2 3.56Å; F214-L221 HydrophobicContact CD2-CD2 4.17Å; F214-L221 HydrophobicContact CE1-CD2 3.65Å; F214-L221 HydrophobicContact CE2-CD2 4.26Å; F214-L221 HydrophobicContact CG-CD2 3.85Å; F214-L221 HydrophobicContact CZ-CD2 4.02Å; L221-T255 WeakPolarHBondContact O-CA 3.2Å; L221-T255 WeakPolarHBondContact O-CB 3.33Å; L221-I256 HydrophobicContact CB-CG2 3.94Å; L221-I256 HydrophobicContact CD1-CG2 4.22Å; L221-I256 HydrophobicContact CG-CG2 4.5Å; L221-I256 PolarHBondContact N-O 3.35Å; L221-I256 PolarHBondContact O-N 2.55Å; L221-I256 VanDerWaalsContact O-N 3.1Å; L221-V258 HydrophobicContact CD2-CG1 4.38Å; L221-V258 HydrophobicContact CG-CG1 4.21Å |
| 222 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 136.7 | 162.2 | 65.3 | 0 | 0 | 0 | 0 | 107.9 | A212 F213 I253 Y254 T255 P276 Y278 I285 | A212-V222 CarbonylContact C-O 3.53Å; A212-V222 WeakPolarHBondContact CA-O 3.44Å; F213-V222 HydrophobicContact CB-CG1 4.06Å; F213-V222 PolarHBondContact N-O 3.36Å; F213-V222 PolarHBondContact O-N 3.18Å; V222-I253 HydrophobicContact CG2-CG2 3.56Å; V222-Y254 VanDerWaalsContact CA-O 3.3Å; V222-Y254 WeakPolarHBondContact CA-O 3.49Å; V222-Y254 WeakPolarHBondContact CG2-O 3.27Å; V222-T255 HydrophobicContact CB-CG2 4.24Å; V222-T255 HydrophobicContact CG2-CG2 4.11Å; V222-P276 HydrophobicContact CB-CB 4.45Å; V222-P276 HydrophobicContact CG1-CB 4.1Å; V222-P276 HydrophobicContact CG1-CG 4.23Å; V222-P276 HydrophobicContact CG2-CB 3.56Å; V222-P276 HydrophobicContact CG2-CG 3.86Å; V222-Y278 HydrophobicContact CB-CD2 3.96Å; V222-Y278 HydrophobicContact CB-CE2 3.39Å; V222-Y278 HydrophobicContact CG1-CD2 3.43Å; V222-Y278 VanDerWaalsContact CG1-CD2 3.43Å; V222-Y278 HydrophobicContact CG1-CE2 3.41Å; V222-Y278 VanDerWaalsContact CG1-CE2 3.41Å; V222-Y278 HydrophobicContact CG1-CG 4.32Å; V222-I285 HydrophobicContact CG2-CD1 3.83Å; V222-I285 HydrophobicContact CG2-CG1 4.2Å; V222-I285 HydrophobicContact CG2-CG2 3.82Å |
| 223 | F | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 167.6 | -172.9 | 62.1 | -78.5 | 0 | 0 | 0 | 111 | L189 T203 D209 A212 A225 I253 Y254 I256 M263 | L189-F223 HydrophobicContact CD1-CB 3.89Å; L189-F223 HydrophobicContact CD1-CD1 3.79Å; L189-F223 HydrophobicContact CD1-CD2 3.88Å; L189-F223 HydrophobicContact CD1-CE1 4.24Å; L189-F223 HydrophobicContact CD1-CE2 4.3Å; L189-F223 HydrophobicContact CD1-CG 3.6Å; L189-F223 HydrophobicContact CD1-CZ 4.47Å; T203-F223 HydrophobicContact CG2-CE2 4.39Å; T203-F223 HydrophobicContact CG2-CZ 4.16Å; D209-F223 HydrophobicContact CB-CD2 4.32Å; D209-F223 HydrophobicContact CB-CE2 4.2Å; D209-F223 WeakPolarHBondContact OD1-CE2 3.08Å; A212-F223 HydrophobicContact CB-CB 3.82Å; F223-A225 HydrophobicContact CD2-CB 4.07Å; F223-A225 HydrophobicContact CE2-CB 3.83Å; F223-I253 WeakPolarHBondContact O-CA 3.41Å; F223-Y254 WeakPolarHBondContact CD1-O 3.18Å; F223-Y254 HydrophobicContact CE2-CG 4.32Å; F223-Y254 HydrophobicContact CZ-CG 4.19Å; F223-Y254 PolarHBondContact N-O 3.38Å; F223-Y254 PolarHBondContact O-N 3.16Å; F223-I256 HydrophobicContact CD1-CG2 4.28Å; F223-I256 HydrophobicContact CE1-CB 4.02Å; F223-I256 HydrophobicContact CE1-CG2 3.64Å; F223-I256 HydrophobicContact CZ-CG2 4.44Å; F223-M263 HydrophobicContact CZ-CE 4.18Å; F223-M263 HydrophobicContact CZ-CG 4.43Å |
| 224 | R | 98.5 | Very high | 97.3 | Very high | 14 Ų | 14 | 48.4 Ų | 48.4 | 5% | 0.053 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 138.9 | 172 | 56.2 | 176.6 | -170.3 | -111 | 7.9 | 108.5 | E167 Y208 G210 M251 D252 W274 | E167-R224 VanDerWaalsContact CD-NH2 3.29Å; E167-R224 IonicContact OE1-CZ 3.11Å; E167-R224 IonicContact OE1-NH2 2.99Å; E167-R224 PolarHBondContact OE1-NH2 3.35Å; E167-R224 IonicContact OE2-NH2 3.89Å; Y208-R224 HydrophobicContact CE1-CG 4.09Å; Y208-R224 PolarHBondContact OH-NE 3.5Å; Y208-R224 PolarHBondContact OH-NH2 2.69Å; G210-R224 PolarHBondContact N-O 3.48Å; G210-R224 VanDerWaalsContact N-O 3.09Å; G210-R224 WeakPolarHBondContact O-CG 3.4Å; G210-R224 PolarHBondContact O-N 2.82Å; G210-R224 VanDerWaalsContact O-N 3.1Å; R224-M251 HydrophobicContact CB-CE 3.91Å; R224-M251 VanDerWaalsContact CD-CE 3.45Å; R224-M251 HydrophobicContact CG-CE 3.66Å; R224-D252 CarbonylContact C-O 3.56Å; R224-D252 WeakPolarHBondContact CA-O 3.48Å; R224-W274 HydrophobicContact CB-CB 4.11Å |
| 225 | A | 98.3 | Very high | 97.2 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.008 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 156 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y208 D209 F223 M251 D252 Y254 | Y208-A225 CarbonylContact O-C 3.5Å; Y208-A225 WeakPolarHBondContact O-CA 3.14Å; D209-A225 WeakPolarHBondContact OD1-CB 3.23Å; F223-A225 HydrophobicContact CD2-CB 4.07Å; F223-A225 HydrophobicContact CE2-CB 3.83Å; A225-M251 WeakPolarHBondContact O-CA 3.43Å; A225-D252 PolarHBondContact N-O 3.06Å; A225-D252 PolarHBondContact O-N 2.63Å; A225-Y254 HydrophobicContact CB-CD2 3.53Å; A225-Y254 HydrophobicContact CB-CE2 3.68Å; A225-Y254 HydrophobicContact CB-CG 4.22Å |
| 226 | N | 96.7 | Very high | 97.1 | Very high | 56 Ų | 56 | 57.6 Ų | 57.6 | 30% | 0.299 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 84.5 | 167.4 | -176.2 | 26.4 | 0 | 0 | 0 | 109.8 | G207 Y208 L250 | G207-N226 WeakPolarHBondContact CA-O 3.33Å; Y208-N226 PolarHBondContact N-O 3.3Å; Y208-N226 PolarHBondContact O-N 2.88Å; N226-L250 VanDerWaalsContact CB-O 3.25Å; N226-L250 WeakPolarHBondContact CB-O 3.25Å; N226-L250 PolarHBondContact ND2-O 3.3Å |
| 227 | H | 96.1 | Very high | 97 | Very high | 19 Ų | 19 | 55.9 Ų | 55.9 | 9% | 0.088 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 130.1 | 177.5 | -59.2 | 146.3 | 0 | 0 | 0 | 111.3 | I205 S206 D209 Y254 | I205-H227 HydrophobicContact CG2-CB 3.85Å; S206-H227 WeakPolarHBondContact O-CA 3.39Å; D209-H227 IonicContact OD1-CD2 3.3Å; D209-H227 PolarHBondContact OD1-CD2 2.61Å; D209-H227 IonicContact OD1-CE1 3.89Å; D209-H227 IonicContact OD1-NE2 2.66Å; D209-H227 PolarHBondContact OD1-NE2 3.37Å; D209-H227 IonicContact OD2-NE2 2.78Å; D209-H227 PolarHBondContact OD2-NE2 3.2Å; H227-Y254 AromaticContact CE1-CE1 3.83Å; H227-Y254 AromaticContact ND1-CE1 3.78Å; H227-Y254 AromaticContact ND1-CZ 3.84Å |
| 228 | V | 94.7 | Very high | 96.9 | Very high | 34 Ų | 34 | 53.7 Ų | 53.7 | 21% | 0.206 | 28% | 0.276 | C | S | . | . | trans | -68.5 | 134.2 | -179.1 | 169.2 | 0 | 0 | 0 | 0 | 110.6 | S206 T230 E233 L234 Y237 | S206-V228 PolarHBondContact O-N 3.13Å; V228-T230 VanDerWaalsContact CG1-O 3.29Å; V228-T230 WeakPolarHBondContact CG1-O 3.39Å; V228-E233 HydrophobicContact CG1-CB 3.79Å; V228-L234 HydrophobicContact CG1-CB 3.67Å; V228-L234 HydrophobicContact CG1-CD1 4.22Å; V228-L234 VanDerWaalsContact CG1-N 3.27Å; V228-L234 HydrophobicContact CG2-CD1 4.47Å; V228-Y237 HydrophobicContact CG2-CD1 4.22Å; V228-Y237 HydrophobicContact CG2-CG 4.29Å | ||
| 229 | K | 93.5 | Very high | 96.8 | Very high | 147 Ų | 147 | 56 Ų | 56 | 64% | 0.639 | 29% | 0.285 | S | S | * | . | trans | -113 | -19.5 | -176.4 | -59.6 | 176.5 | -174.4 | 174.5 | 0 | 113.1 | E233 | K229-E233 WeakPolarHBondContact CA-OE2 3.49Å; K229-E233 WeakPolarHBondContact CB-OE2 3.4Å; K229-E233 PolarHBondContact N-OE2 3.44Å | ||
| 230 | T | 96.7 | Very high | 96.7 | Very high | 68 Ų | 68 | 53.1 Ų | 53.1 | 42% | 0.417 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -131.4 | 156.6 | -178.8 | 73.3 | 0 | 0 | 0 | 0 | 112.6 | V228 K232 E233 L234 | V228-T230 VanDerWaalsContact CG1-O 3.29Å; V228-T230 WeakPolarHBondContact CG1-O 3.39Å; T230-K232 PolarHBondContact O-N 3.39Å; T230-E233 PolarHBondContact N-OE2 2.98Å; T230-E233 PolarHBondContact O-N 3.09Å; T230-E233 WeakPolarHBondContact OG1-CB 3.38Å; T230-E233 WeakPolarHBondContact OG1-CG 3.34Å; T230-E233 PolarHBondContact OG1-N 2.69Å; T230-L234 PolarHBondContact O-N 3.04Å |
| 231 | A | 97.2 | Very high | 96.6 | Very high | 86 Ų | 86 | 52 Ų | 52 | 71% | 0.711 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -59.9 | -32.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L234 E235 | A231-L234 WeakPolarHBondContact O-CB 3.07Å; A231-L234 PolarHBondContact O-N 2.94Å; A231-E235 PolarHBondContact O-N 3.29Å |
| 232 | K | 96.1 | Very high | 96.4 | Very high | 138 Ų | 138 | 60.7 Ų | 60.7 | 60% | 0.6 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -69.1 | -44.5 | 176.4 | -179.3 | -179.2 | 170.5 | -172.7 | 0 | 111.6 | T230 L234 E235 E236 | T230-K232 PolarHBondContact O-N 3.39Å; K232-L234 PolarHBondContact O-N 3.01Å; K232-E235 PolarHBondContact O-N 2.84Å; K232-E236 WeakPolarHBondContact CE-OE1 3.44Å; K232-E236 IonicContact NZ-OE1 3.82Å; K232-E236 WeakPolarHBondContact O-CG 3.35Å; K232-E236 PolarHBondContact O-N 3.33Å |
| 233 | E | 94.6 | Very high | 96.3 | Very high | 81 Ų | 81 | 62.5 Ų | 62.5 | 38% | 0.379 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.9 | -39 | 173.8 | -75.6 | 165.4 | -166.8 | 0 | 0 | 110.9 | V228 K229 T230 Y237 | V228-E233 HydrophobicContact CG1-CB 3.79Å; K229-E233 WeakPolarHBondContact CA-OE2 3.49Å; K229-E233 WeakPolarHBondContact CB-OE2 3.4Å; K229-E233 PolarHBondContact N-OE2 3.44Å; T230-E233 PolarHBondContact N-OE2 2.98Å; T230-E233 PolarHBondContact O-N 3.09Å; T230-E233 WeakPolarHBondContact OG1-CB 3.38Å; T230-E233 WeakPolarHBondContact OG1-CG 3.34Å; T230-E233 PolarHBondContact OG1-N 2.69Å; E233-Y237 WeakPolarHBondContact O-CB 3.25Å; E233-Y237 PolarHBondContact O-N 2.76Å |
| 234 | L | 96.2 | Very high | 96.2 | Very high | 66 Ų | 66 | 64.5 Ų | 64.5 | 35% | 0.346 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.8 | -47.1 | 176.2 | -170.7 | 58 | 0 | 0 | 0 | 111.8 | V228 T230 A231 K232 Y237 Q238 | V228-L234 HydrophobicContact CG1-CB 3.67Å; V228-L234 HydrophobicContact CG1-CD1 4.22Å; V228-L234 VanDerWaalsContact CG1-N 3.27Å; V228-L234 HydrophobicContact CG2-CD1 4.47Å; T230-L234 PolarHBondContact O-N 3.04Å; A231-L234 WeakPolarHBondContact O-CB 3.07Å; A231-L234 PolarHBondContact O-N 2.94Å; K232-L234 PolarHBondContact O-N 3.01Å; L234-Y237 PolarHBondContact O-N 3.35Å; L234-Q238 HydrophobicContact CD1-CG 4.04Å; L234-Q238 HydrophobicContact CG-CG 4.35Å; L234-Q238 VanDerWaalsContact O-CB 3.25Å; L234-Q238 WeakPolarHBondContact O-CB 3.36Å; L234-Q238 VanDerWaalsContact O-CG 3.25Å; L234-Q238 WeakPolarHBondContact O-CG 3.15Å; L234-Q238 PolarHBondContact O-N 2.92Å |
| 235 | E | 96.8 | Very high | 96.1 | Very high | 143 Ų | 143 | 63.9 Ų | 63.9 | 67% | 0.668 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -62.4 | -47 | 179.4 | -175 | -177.8 | -177 | 0 | 0 | 111.6 | A231 K232 Y237 E239 | A231-E235 PolarHBondContact O-N 3.29Å; K232-E235 PolarHBondContact O-N 2.84Å; E235-Y237 PolarHBondContact O-N 3.23Å; E235-E239 WeakPolarHBondContact O-CB 3.41Å; E235-E239 PolarHBondContact O-N 2.97Å |
| 236 | E | 94.7 | Very high | 96 | Very high | 66 Ų | 66 | 64 Ų | 64 | 31% | 0.308 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 178.2 | -71.5 | -178.3 | -177.2 | 0 | 0 | 111.9 | K232 L240 R247 | K232-E236 WeakPolarHBondContact CE-OE1 3.44Å; K232-E236 IonicContact NZ-OE1 3.82Å; K232-E236 WeakPolarHBondContact O-CG 3.35Å; K232-E236 PolarHBondContact O-N 3.33Å; E236-L240 WeakPolarHBondContact O-CG 3.19Å; E236-L240 PolarHBondContact O-N 2.83Å; E236-L240 VanDerWaalsContact O-N 3.13Å; E236-R247 IonicContact OE2-NH1 2.81Å |
| 237 | Y | 96.3 | Very high | 95.8 | Very high | 21 Ų | 21 | 65.3 Ų | 65.3 | 8% | 0.082 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.2 | -50.1 | 178 | 175.8 | -111.6 | 0 | 0 | 0 | 111.9 | D186 G207 Y208 V228 E233 L234 E235 E239 L240 L241 V246 | D186-Y237 WeakPolarHBondContact OD1-CE1 3.38Å; D186-Y237 PolarHBondContact OD1-OH 3.05Å; G207-Y237 PolarHBondContact O-OH 2.91Å; Y208-Y237 WeakPolarHBondContact CA-OH 3.41Å; Y208-Y237 PolarHBondContact N-OH 2.84Å; V228-Y237 HydrophobicContact CG2-CD1 4.22Å; V228-Y237 HydrophobicContact CG2-CG 4.29Å; E233-Y237 WeakPolarHBondContact O-CB 3.25Å; E233-Y237 PolarHBondContact O-N 2.76Å; L234-Y237 PolarHBondContact O-N 3.35Å; E235-Y237 PolarHBondContact O-N 3.23Å; Y237-E239 VanDerWaalsContact C-N 3.31Å; Y237-E239 PolarHBondContact O-N 3.43Å; Y237-L240 PolarHBondContact O-N 2.81Å; Y237-L241 HydrophobicContact CD1-CD1 4.11Å; Y237-L241 HydrophobicContact CE1-CD1 3.42Å; Y237-L241 VanDerWaalsContact CE1-CD1 3.42Å; Y237-L241 HydrophobicContact CE1-CG 4.06Å; Y237-L241 HydrophobicContact CE2-CD1 4.33Å; Y237-L241 HydrophobicContact CE2-CD2 4.26Å; Y237-L241 HydrophobicContact CE2-CG 4.13Å; Y237-L241 PolarHBondContact O-N 2.86Å; Y237-V246 HydrophobicContact CE2-CG1 3.88Å |
| 238 | Q | 96.5 | Very high | 95.3 | Very high | 57 Ų | 57 | 64.8 Ų | 64.8 | 27% | 0.266 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65 | -34.4 | 179.3 | -75 | -70.2 | -28.7 | 0 | 0 | 112.3 | L234 L241 R242 | L234-Q238 HydrophobicContact CD1-CG 4.04Å; L234-Q238 HydrophobicContact CG-CG 4.35Å; L234-Q238 VanDerWaalsContact O-CB 3.25Å; L234-Q238 WeakPolarHBondContact O-CB 3.36Å; L234-Q238 VanDerWaalsContact O-CG 3.25Å; L234-Q238 WeakPolarHBondContact O-CG 3.15Å; L234-Q238 PolarHBondContact O-N 2.92Å; Q238-L241 PolarHBondContact O-N 2.85Å; Q238-R242 WeakPolarHBondContact O-CG 3.45Å; Q238-R242 PolarHBondContact O-N 2.86Å |
| 239 | E | 96.7 | Very high | 94.7 | Very high | 66 Ų | 66 | 66.3 Ų | 66.3 | 31% | 0.308 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.4 | -48.4 | 172.6 | -178.2 | 58.1 | -164.7 | 0 | 0 | 110.9 | E235 Y237 L241 R242 H243 | E235-E239 WeakPolarHBondContact O-CB 3.41Å; E235-E239 PolarHBondContact O-N 2.97Å; Y237-E239 VanDerWaalsContact C-N 3.31Å; Y237-E239 PolarHBondContact O-N 3.43Å; E239-L241 VanDerWaalsContact C-N 3.32Å; E239-L241 PolarHBondContact O-N 2.96Å; E239-R242 WeakPolarHBondContact O-CB 3.43Å; E239-R242 PolarHBondContact O-N 2.77Å; E239-R242 IonicContact OE2-CZ 3.28Å; E239-R242 IonicContact OE2-NH1 3.52Å; E239-R242 PolarHBondContact OE2-NH1 2.81Å; E239-H243 PolarHBondContact O-CD2 2.83Å; E239-H243 VanDerWaalsContact O-CD2 3.24Å; E239-H243 IonicContact OE1-CD2 3.61Å; E239-H243 IonicContact OE1-NE2 3.06Å; E239-H243 PolarHBondContact OE1-NE2 3.29Å |
| 240 | L | 96.6 | Very high | 94.5 | Very high | 3 Ų | 3 | 63.3 Ų | 63.3 | 2% | 0.016 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.2 | -39.8 | 176.6 | -73.4 | 174.4 | 0 | 0 | 0 | 112.6 | P127 E129 L137 E236 Y237 R242 H243 M244 A245 R247 | P127-L240 HydrophobicContact CB-CD2 4.05Å; P127-L240 HydrophobicContact CG-CD2 4.1Å; E129-L240 HydrophobicContact CB-CD2 4.28Å; E129-L240 HydrophobicContact CG-CD2 3.97Å; L137-L240 HydrophobicContact CD1-CD2 4.15Å; L137-L240 HydrophobicContact CD2-CD1 4.08Å; L137-L240 HydrophobicContact CD2-CD2 4.06Å; E236-L240 WeakPolarHBondContact O-CG 3.19Å; E236-L240 PolarHBondContact O-N 2.83Å; E236-L240 VanDerWaalsContact O-N 3.13Å; Y237-L240 PolarHBondContact O-N 2.81Å; L240-R242 VanDerWaalsContact C-N 3.29Å; L240-R242 PolarHBondContact O-N 2.94Å; L240-H243 CarbonylContact O-C 3.48Å; L240-H243 WeakPolarHBondContact O-CA 3.42Å; L240-H243 WeakPolarHBondContact O-CB 3.23Å; L240-H243 PolarHBondContact O-N 3.07Å; L240-M244 PolarHBondContact O-N 3.14Å; L240-A245 CarbonylContact C-O 3.52Å; L240-A245 HydrophobicContact CB-CB 4.44Å; L240-A245 VanDerWaalsContact CB-O 3.32Å; L240-A245 WeakPolarHBondContact CB-O 3.28Å; L240-A245 HydrophobicContact CD2-CB 4.37Å; L240-A245 PolarHBondContact O-N 2.82Å; L240-A245 VanDerWaalsContact O-O 3.09Å; L240-R247 HydrophobicContact CD1-CB 3.97Å |
| 241 | L | 96.4 | Very high | 94.4 | Very high | 26 Ų | 26 | 60.2 Ų | 60.2 | 14% | 0.136 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.3 | -37.1 | 176.5 | -77.3 | -174.8 | 0 | 0 | 0 | 112.9 | V140 L187 Y237 Q238 E239 H243 M244 A245 V246 | V140-L241 HydrophobicContact CG2-CD2 4.46Å; L187-L241 HydrophobicContact CD1-CD2 3.61Å; L187-L241 HydrophobicContact CG-CD2 4.04Å; Y237-L241 HydrophobicContact CD1-CD1 4.11Å; Y237-L241 HydrophobicContact CE1-CD1 3.42Å; Y237-L241 VanDerWaalsContact CE1-CD1 3.42Å; Y237-L241 HydrophobicContact CE1-CG 4.06Å; Y237-L241 HydrophobicContact CE2-CD1 4.33Å; Y237-L241 HydrophobicContact CE2-CD2 4.26Å; Y237-L241 HydrophobicContact CE2-CG 4.13Å; Y237-L241 PolarHBondContact O-N 2.86Å; Q238-L241 PolarHBondContact O-N 2.85Å; E239-L241 VanDerWaalsContact C-N 3.32Å; E239-L241 PolarHBondContact O-N 2.96Å; L241-H243 PolarHBondContact O-N 3.42Å; L241-M244 WeakPolarHBondContact O-CA 3.46Å; L241-M244 PolarHBondContact O-N 2.87Å; L241-A245 PolarHBondContact N-O 2.58Å; L241-V246 HydrophobicContact CD2-CG1 3.69Å |
| 242 | R | 95.3 | Very high | 94.5 | Very high | 183 Ų | 183 | 56.9 Ų | 56.9 | 69% | 0.691 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -62.4 | -27 | 174.6 | -68.7 | 172.1 | -173.3 | 152.4 | 1.1 | 112.9 | Q238 E239 L240 M244 | Q238-R242 WeakPolarHBondContact O-CG 3.45Å; Q238-R242 PolarHBondContact O-N 2.86Å; E239-R242 WeakPolarHBondContact O-CB 3.43Å; E239-R242 PolarHBondContact O-N 2.77Å; E239-R242 IonicContact OE2-CZ 3.28Å; E239-R242 IonicContact OE2-NH1 3.52Å; E239-R242 PolarHBondContact OE2-NH1 2.81Å; L240-R242 VanDerWaalsContact C-N 3.29Å; L240-R242 PolarHBondContact O-N 2.94Å; R242-M244 VanDerWaalsContact C-N 3.28Å |
| 243 | H | 96 | Very high | 94.6 | Very high | 38 Ų | 38 | 50.3 Ų | 50.3 | 18% | 0.176 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | 9.2 | 173.3 | -68.7 | -84.9 | 0 | 0 | 0 | 112.6 | I120 D125 P127 E239 L240 L241 A245 | I120-H243 HydrophobicContact CD1-CB 4.25Å; I120-H243 WeakPolarHBondContact CD1-O 3.48Å; I120-H243 HydrophobicContact CG1-CB 4.27Å; I120-H243 VanDerWaalsContact CG1-O 3.25Å; I120-H243 WeakPolarHBondContact CG1-O 3.31Å; D125-H243 PolarHBondContact O-CE1 3.35Å; D125-H243 PolarHBondContact O-ND1 3.23Å; D125-H243 VanDerWaalsContact O-ND1 3.12Å; P127-H243 HydrophobicContact CB-CB 4.26Å; P127-H243 HydrophobicContact CG-CB 4.11Å; E239-H243 PolarHBondContact O-CD2 2.83Å; E239-H243 VanDerWaalsContact O-CD2 3.24Å; E239-H243 IonicContact OE1-CD2 3.61Å; E239-H243 IonicContact OE1-NE2 3.06Å; E239-H243 PolarHBondContact OE1-NE2 3.29Å; L240-H243 CarbonylContact O-C 3.48Å; L240-H243 WeakPolarHBondContact O-CA 3.42Å; L240-H243 WeakPolarHBondContact O-CB 3.23Å; L240-H243 PolarHBondContact O-N 3.07Å; L241-H243 PolarHBondContact O-N 3.42Å; H243-A245 VanDerWaalsContact C-N 3.3Å; H243-A245 PolarHBondContact O-N 3.23Å |
| 244 | M | 96.4 | Very high | 94.8 | Very high | 42 Ų | 42 | 47.2 Ų | 47.2 | 21% | 0.207 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 45 | -171.8 | -65.4 | 164 | -86.9 | 0 | 0 | 111.6 | V140 N142 L240 L241 R242 | V140-M244 HydrophobicContact CG2-CB 4.44Å; V140-M244 WeakPolarHBondContact CG2-O 3.21Å; V140-M244 PolarHBondContact N-O 3.38Å; V140-M244 WeakPolarHBondContact O-CB 3.32Å; N142-M244 HydrophobicContact CB-SD 4.3Å; L240-M244 PolarHBondContact O-N 3.14Å; L241-M244 WeakPolarHBondContact O-CA 3.46Å; L241-M244 PolarHBondContact O-N 2.87Å; R242-M244 VanDerWaalsContact C-N 3.28Å |
| 245 | A | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 153.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | I120 L137 W138 L240 L241 H243 | I120-A245 HydrophobicContact CG1-CB 4.31Å; I120-A245 HydrophobicContact CG2-CB 4.13Å; L137-A245 HydrophobicContact CB-CB 4.49Å; L137-A245 HydrophobicContact CD1-CB 4.28Å; W138-A245 VanDerWaalsContact O-CA 3.3Å; W138-A245 WeakPolarHBondContact O-CA 3.46Å; L240-A245 CarbonylContact C-O 3.52Å; L240-A245 HydrophobicContact CB-CB 4.44Å; L240-A245 VanDerWaalsContact CB-O 3.32Å; L240-A245 WeakPolarHBondContact CB-O 3.28Å; L240-A245 HydrophobicContact CD2-CB 4.37Å; L240-A245 PolarHBondContact O-N 2.82Å; L240-A245 VanDerWaalsContact O-O 3.09Å; L241-A245 PolarHBondContact N-O 2.58Å; H243-A245 VanDerWaalsContact C-N 3.3Å; H243-A245 PolarHBondContact O-N 3.23Å |
| 246 | V | 96 | Very high | 95 | Very high | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.018 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 155.6 | 165.5 | -63.8 | 0 | 0 | 0 | 0 | 111.4 | L137 W138 V140 L187 Y208 Y237 L241 P248 | L137-V246 CarbonylContact C-O 3.58Å; L137-V246 VanDerWaalsContact CA-O 3.32Å; L137-V246 WeakPolarHBondContact CA-O 3.13Å; W138-V246 HydrophobicContact CB-CG2 3.88Å; W138-V246 HydrophobicContact CE3-CG2 4.36Å; W138-V246 PolarHBondContact N-O 2.85Å; W138-V246 PolarHBondContact O-N 3.21Å; V140-V246 HydrophobicContact CG1-CG1 4.49Å; V140-V246 HydrophobicContact CG1-CG2 4.2Å; V140-V246 HydrophobicContact CG2-CG1 4.44Å; L187-V246 HydrophobicContact CD1-CG1 3.53Å; Y208-V246 HydrophobicContact CD2-CB 4.36Å; Y208-V246 HydrophobicContact CD2-CG1 4.05Å; Y208-V246 HydrophobicContact CD2-CG2 4Å; Y208-V246 HydrophobicContact CE2-CG2 4.13Å; Y237-V246 HydrophobicContact CE2-CG1 3.88Å; L241-V246 HydrophobicContact CD2-CG1 3.69Å; V246-P248 WeakPolarHBondContact O-CD 3.36Å |
| 247 | R | 91.9 | Very high | 95.2 | Very high | 84 Ų | 84 | 36.3 Ų | 36.3 | 32% | 0.317 | 17% | 0.171 | S | C | . | . | trans | -106.4 | 104 | 175.6 | -172.8 | -171.7 | -69.3 | 139.2 | -6.7 | 110.7 | L137 E236 L240 S249 | L137-R247 HydrophobicContact CD2-CB 3.96Å; L137-R247 HydrophobicContact CD2-CG 4.4Å; E236-R247 IonicContact OE2-NH1 2.81Å; L240-R247 HydrophobicContact CD1-CB 3.97Å; R247-S249 WeakPolarHBondContact CD-OG 3.3Å; R247-S249 PolarHBondContact O-N 2.67Å | ||
| 248 | P | 86.4 | Confident | 95.3 | Very high | 8 Ų | 8 | 37 Ų | 37 | 5% | 0.052 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 40.1 | -176.9 | 39.1 | -44.1 | 0 | 0 | 0 | 112.7 | Y136 W138 V246 M251 | Y136-P248 HydrophobicContact CD1-CG 3.64Å; Y136-P248 HydrophobicContact CE1-CB 4.44Å; Y136-P248 HydrophobicContact CE1-CG 3.3Å; W138-P248 HydrophobicContact CD2-CB 3.79Å; W138-P248 HydrophobicContact CD2-CG 3.71Å; W138-P248 VanDerWaalsContact CE2-CG 3.48Å; W138-P248 HydrophobicContact CE3-CB 3.91Å; W138-P248 HydrophobicContact CE3-CG 4.33Å; W138-P248 HydrophobicContact CG-CB 4.49Å; W138-P248 HydrophobicContact CG-CG 3.95Å; W138-P248 HydrophobicContact CH2-CB 3.8Å; W138-P248 HydrophobicContact CZ2-CB 3.68Å; W138-P248 HydrophobicContact CZ2-CG 3.93Å; W138-P248 HydrophobicContact CZ3-CB 3.91Å; V246-P248 WeakPolarHBondContact O-CD 3.36Å; P248-M251 HydrophobicContact CB-CG 4.45Å; P248-M251 HydrophobicContact CB-SD 3.74Å |
| 249 | S | 81.2 | Confident | 95.4 | Very high | 66 Ų | 66 | 39.4 Ų | 39.4 | 46% | 0.462 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -28.1 | -174.5 | 51.1 | 0 | 0 | 0 | 0 | 113.7 | R247 | R247-S249 WeakPolarHBondContact CD-OG 3.3Å; R247-S249 PolarHBondContact O-N 2.67Å |
| 250 | L | 90 | Very high | 95.5 | Very high | 84 Ų | 84 | 37.7 Ų | 37.7 | 44% | 0.44 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -129.3 | 124.8 | 173.2 | -67.3 | 174.6 | 0 | 0 | 0 | 106.3 | N226 K270 | N226-L250 VanDerWaalsContact CB-O 3.25Å; N226-L250 WeakPolarHBondContact CB-O 3.25Å; N226-L250 PolarHBondContact ND2-O 3.3Å; L250-K270 WeakPolarHBondContact CD2-O 3.19Å |
| 251 | M | 95.1 | Very high | 95.6 | Very high | 4 Ų | 4 | 40.9 Ų | 40.9 | 2% | 0.02 | 21% | 0.211 | C | C | . | . | B | Isolated β-bridge | trans | -148.2 | 140.8 | 176.3 | -59.9 | -170 | 92.6 | 0 | 0 | 107.8 | W138 Y208 R224 A225 P248 Y271 S273 W274 | W138-M251 HydrophobicContact CH2-CE 4.41Å; W138-M251 HydrophobicContact CH2-SD 3.8Å; W138-M251 HydrophobicContact CZ3-CE 4.04Å; W138-M251 HydrophobicContact CZ3-SD 3.97Å; Y208-M251 HydrophobicContact CD1-CE 3.42Å; Y208-M251 VanDerWaalsContact CD1-CE 3.42Å; Y208-M251 HydrophobicContact CE1-CE 3.37Å; Y208-M251 HydrophobicContact CG-CE 4.4Å; R224-M251 HydrophobicContact CB-CE 3.91Å; R224-M251 VanDerWaalsContact CD-CE 3.45Å; R224-M251 HydrophobicContact CG-CE 3.66Å; A225-M251 WeakPolarHBondContact O-CA 3.43Å; P248-M251 HydrophobicContact CB-CG 4.45Å; P248-M251 HydrophobicContact CB-SD 3.74Å; M251-Y271 VanDerWaalsContact O-O 3.05Å; M251-S273 CarbonylContact C-O 3.46Å; M251-S273 VanDerWaalsContact CB-O 3.31Å; M251-S273 WeakPolarHBondContact CB-O 3.27Å; M251-S273 WeakPolarHBondContact O-CB 3.31Å; M251-S273 PolarHBondContact O-N 3.48Å; M251-W274 HydrophobicContact SD-CB 4.14Å |
| 252 | D | 97.9 | Very high | 95.6 | Very high | 15 Ų | 15 | 43.6 Ų | 43.6 | 8% | 0.08 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 159.2 | 174.1 | -80.1 | -55.3 | 0 | 0 | 0 | 110.1 | R224 A225 Y254 Q265 T267 D268 L269 | R224-D252 CarbonylContact C-O 3.56Å; R224-D252 WeakPolarHBondContact CA-O 3.48Å; A225-D252 PolarHBondContact N-O 3.06Å; A225-D252 PolarHBondContact O-N 2.63Å; D252-Y254 HydrophobicContact CB-CD2 4.34Å; D252-Y254 HydrophobicContact CB-CE2 3.68Å; D252-Y254 WeakPolarHBondContact O-CD2 3.18Å; D252-Q265 PolarHBondContact OD2-NE2 2.93Å; D252-T267 WeakPolarHBondContact CA-OG1 3.29Å; D252-T267 VanDerWaalsContact CB-O 3.24Å; D252-T267 WeakPolarHBondContact CB-O 3.11Å; D252-T267 PolarHBondContact OD1-OG1 3.27Å; D252-D268 VanDerWaalsContact OD1-CA 3.28Å; D252-D268 WeakPolarHBondContact OD1-CA 3.37Å; D252-D268 PolarHBondContact OD1-N 3.31Å; D252-L269 PolarHBondContact OD1-N 2.94Å |
| 253 | I | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 132.5 | 176.9 | -55 | -50.2 | 0 | 0 | 0 | 109 | V222 F223 I266 T267 S273 P276 I285 F287 | V222-I253 HydrophobicContact CG2-CG2 3.56Å; F223-I253 WeakPolarHBondContact O-CA 3.41Å; I253-I266 HydrophobicContact CB-CB 4.4Å; I253-I266 HydrophobicContact CG2-CB 4.33Å; I253-I266 WeakPolarHBondContact O-CA 3.43Å; I253-I266 WeakPolarHBondContact O-CB 3.37Å; I253-I266 PolarHBondContact O-N 2.91Å; I253-T267 HydrophobicContact CB-CG2 3.99Å; I253-T267 HydrophobicContact CG1-CG2 4.04Å; I253-T267 PolarHBondContact N-OG1 2.76Å; I253-T267 PolarHBondContact O-N 3.04Å; I253-S273 WeakPolarHBondContact CD1-O 3.41Å; I253-P276 HydrophobicContact CD1-CB 3.89Å; I253-P276 HydrophobicContact CD1-CG 4.01Å; I253-P276 HydrophobicContact CG1-CB 4.49Å; I253-P276 HydrophobicContact CG2-CB 3.97Å; I253-P276 HydrophobicContact CG2-CG 4.46Å; I253-I285 HydrophobicContact CG2-CG2 4.12Å; I253-F287 HydrophobicContact CD1-CB 4.05Å; I253-F287 HydrophobicContact CD1-CG 4.44Å; I253-F287 HydrophobicContact CG1-CB 4.03Å; I253-F287 HydrophobicContact CG1-CD1 4.48Å; I253-F287 HydrophobicContact CG1-CD2 4.03Å; I253-F287 HydrophobicContact CG1-CG 3.94Å |
| 254 | Y | 98.8 | Very high | 95.9 | Very high | 16 Ų | 16 | 39.9 Ų | 39.9 | 6% | 0.063 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 157.9 | 177.2 | -72.2 | -109.3 | 0 | 0 | 0 | 110.5 | V222 F223 A225 H227 D252 M263 K264 Q265 | V222-Y254 VanDerWaalsContact CA-O 3.3Å; V222-Y254 WeakPolarHBondContact CA-O 3.49Å; V222-Y254 WeakPolarHBondContact CG2-O 3.27Å; F223-Y254 WeakPolarHBondContact CD1-O 3.18Å; F223-Y254 HydrophobicContact CE2-CG 4.32Å; F223-Y254 HydrophobicContact CZ-CG 4.19Å; F223-Y254 PolarHBondContact N-O 3.38Å; F223-Y254 PolarHBondContact O-N 3.16Å; A225-Y254 HydrophobicContact CB-CD2 3.53Å; A225-Y254 HydrophobicContact CB-CE2 3.68Å; A225-Y254 HydrophobicContact CB-CG 4.22Å; H227-Y254 AromaticContact CE1-CE1 3.83Å; H227-Y254 AromaticContact ND1-CE1 3.78Å; H227-Y254 AromaticContact ND1-CZ 3.84Å; D252-Y254 HydrophobicContact CB-CD2 4.34Å; D252-Y254 HydrophobicContact CB-CE2 3.68Å; D252-Y254 WeakPolarHBondContact O-CD2 3.18Å; Y254-M263 HydrophobicContact CD1-CG 4.25Å; Y254-M263 HydrophobicContact CD1-SD 4.32Å; Y254-K264 CarbonylContact C-O 3.56Å; Y254-K264 WeakPolarHBondContact CA-O 3.37Å; Y254-K264 WeakPolarHBondContact CB-O 3.4Å; Y254-Q265 HydrophobicContact CD1-CB 3.9Å; Y254-Q265 HydrophobicContact CD1-CG 4.42Å; Y254-Q265 HydrophobicContact CE1-CB 3.44Å; Y254-Q265 VanDerWaalsContact CE1-CB 3.44Å; Y254-Q265 HydrophobicContact CE1-CG 3.81Å; Y254-Q265 HydrophobicContact CE2-CG 4.04Å; Y254-Q265 VanDerWaalsContact OH-CD 3.27Å; Y254-Q265 PolarHBondContact OH-OE1 3.46Å |
| 255 | T | 98.7 | Very high | 95.9 | Very high | 5 Ų | 5 | 41.9 Ų | 41.9 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 154.5 | 165.6 | 60.2 | 0 | 0 | 0 | 0 | 110.3 | L221 V222 M263 K264 I266 Y278 I285 | L221-T255 WeakPolarHBondContact O-CA 3.2Å; L221-T255 WeakPolarHBondContact O-CB 3.33Å; V222-T255 HydrophobicContact CB-CG2 4.24Å; V222-T255 HydrophobicContact CG2-CG2 4.11Å; T255-M263 CarbonylContact O-C 3.56Å; T255-M263 VanDerWaalsContact O-CA 3.29Å; T255-M263 WeakPolarHBondContact O-CA 3.36Å; T255-K264 PolarHBondContact N-O 2.94Å; T255-K264 PolarHBondContact O-N 2.9Å; T255-I266 HydrophobicContact CG2-CD1 4.09Å; T255-I266 HydrophobicContact CG2-CG1 3.8Å; T255-Y278 VanDerWaalsContact CG2-OH 3.27Å; T255-Y278 WeakPolarHBondContact CG2-OH 3.39Å; T255-I285 HydrophobicContact CG2-CD1 3.75Å |
| 256 | I | 98.8 | Very high | 96 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.015 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 151.8 | 175.5 | -166.6 | 170.6 | 0 | 0 | 0 | 109 | V202 T203 K220 L221 F223 T261 M263 | V202-I256 HydrophobicContact CG1-CD1 4.27Å; V202-I256 HydrophobicContact CG1-CG2 4.33Å; T203-I256 HydrophobicContact CG2-CD1 4.09Å; K220-I256 CarbonylContact C-O 3.53Å; K220-I256 VanDerWaalsContact CA-O 3.27Å; K220-I256 WeakPolarHBondContact CA-O 3.26Å; K220-I256 WeakPolarHBondContact CB-O 3.4Å; L221-I256 HydrophobicContact CB-CG2 3.94Å; L221-I256 HydrophobicContact CD1-CG2 4.22Å; L221-I256 HydrophobicContact CG-CG2 4.5Å; L221-I256 PolarHBondContact N-O 3.35Å; L221-I256 PolarHBondContact O-N 2.55Å; L221-I256 VanDerWaalsContact O-N 3.1Å; F223-I256 HydrophobicContact CD1-CG2 4.28Å; F223-I256 HydrophobicContact CE1-CB 4.02Å; F223-I256 HydrophobicContact CE1-CG2 3.64Å; F223-I256 HydrophobicContact CZ-CG2 4.44Å; I256-T261 VanDerWaalsContact CG1-O 3.31Å; I256-T261 WeakPolarHBondContact CG1-O 3.14Å; I256-M263 HydrophobicContact CB-CB 4.39Å; I256-M263 HydrophobicContact CB-CG 4.49Å; I256-M263 HydrophobicContact CD1-CB 3.99Å; I256-M263 HydrophobicContact CD1-CE 3.77Å; I256-M263 HydrophobicContact CD1-CG 4.37Å; I256-M263 HydrophobicContact CG1-CB 4.03Å |
| 257 | N | 98.8 | Very high | 96.1 | Very high | 38 Ų | 38 | 42.8 Ų | 42.8 | 20% | 0.203 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 151.6 | 169.7 | -65.3 | -27.5 | 0 | 0 | 0 | 110.3 | D259 G260 T261 D262 | N257-D259 WeakPolarHBondContact CB-OD1 3.35Å; N257-D259 PolarHBondContact O-N 3.08Å; N257-G260 PolarHBondContact O-N 2.57Å; N257-T261 VanDerWaalsContact CB-O 3.31Å; N257-T261 WeakPolarHBondContact CB-O 3.47Å; N257-T261 PolarHBondContact N-O 3.25Å; N257-T261 PolarHBondContact ND2-OG1 3.42Å; N257-D262 WeakPolarHBondContact ND2-CB 3.36Å |
| 258 | V | 98.6 | Very high | 96.3 | Very high | 37 Ų | 37 | 42.3 Ų | 42.3 | 22% | 0.224 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -11.2 | 178.6 | -65.4 | 0 | 0 | 0 | 0 | 114.4 | L191 R200 F214 T219 L221 | L191-V258 HydrophobicContact CD1-CB 3.97Å; L191-V258 HydrophobicContact CD1-CG1 4.46Å; L191-V258 WeakPolarHBondContact CD1-O 3.39Å; R200-V258 PolarHBondContact NH2-O 2.9Å; F214-V258 HydrophobicContact CD1-CG1 4.02Å; F214-V258 HydrophobicContact CE1-CG1 3.84Å; T219-V258 WeakPolarHBondContact O-CG2 3.24Å; T219-V258 PolarHBondContact O-N 3.25Å; L221-V258 HydrophobicContact CD2-CG1 4.38Å; L221-V258 HydrophobicContact CG-CG1 4.21Å |
| 259 | D | 97.7 | Very high | 96.7 | Very high | 106 Ų | 106 | 43.9 Ų | 43.9 | 57% | 0.567 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 1.8 | 172.3 | 68.7 | 0.9 | 0 | 0 | 0 | 113.4 | N257 T261 | N257-D259 WeakPolarHBondContact CB-OD1 3.35Å; N257-D259 PolarHBondContact O-N 3.08Å; D259-T261 WeakPolarHBondContact OD1-CB 2.97Å; D259-T261 WeakPolarHBondContact OD1-CG2 3.18Å; D259-T261 PolarHBondContact OD1-N 2.86Å; D259-T261 PolarHBondContact OD1-OG1 2.88Å; D259-T261 PolarHBondContact OD2-OG1 3.09Å |
| 260 | G | 98.3 | Very high | 97.2 | Very high | 30 Ų | 30 | 46.8 Ų | 46.8 | 31% | 0.309 | 25% | 0.245 | S | C | . | . | S | Bend | trans | 85.6 | 4.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | N257 | N257-G260 PolarHBondContact O-N 2.57Š|
| 261 | T | 98.6 | Very high | 97.3 | Very high | 70 Ų | 70 | 46 Ų | 46 | 43% | 0.429 | 24% | 0.237 | S | C | . | . | trans | -92.1 | 164.8 | 178.5 | 68.2 | 0 | 0 | 0 | 0 | 112.8 | I256 N257 D259 M263 | I256-T261 VanDerWaalsContact CG1-O 3.31Å; I256-T261 WeakPolarHBondContact CG1-O 3.14Å; N257-T261 VanDerWaalsContact CB-O 3.31Å; N257-T261 WeakPolarHBondContact CB-O 3.47Å; N257-T261 PolarHBondContact N-O 3.25Å; N257-T261 PolarHBondContact ND2-OG1 3.42Å; D259-T261 WeakPolarHBondContact OD1-CB 2.97Å; D259-T261 WeakPolarHBondContact OD1-CG2 3.18Å; D259-T261 PolarHBondContact OD1-N 2.86Å; D259-T261 PolarHBondContact OD1-OG1 2.88Å; D259-T261 PolarHBondContact OD2-OG1 3.09Å; T261-M263 PolarHBondContact O-N 2.72Å | ||
| 262 | D | 97.6 | Very high | 97.3 | Very high | 83 Ų | 83 | 45.9 Ų | 45.9 | 44% | 0.444 | 24% | 0.237 | S | C | . | . | trans | 58.5 | 41.6 | 171.2 | -160.8 | 36.7 | 0 | 0 | 0 | 114.9 | N257 K264 | N257-D262 WeakPolarHBondContact ND2-CB 3.36Å; D262-K264 VanDerWaalsContact CG-CE 3.41Å; D262-K264 VanDerWaalsContact CG-NZ 3.31Å; D262-K264 PolarHBondContact O-N 3.18Å; D262-K264 WeakPolarHBondContact OD1-CE 3.48Å; D262-K264 IonicContact OD1-NZ 2.97Å; D262-K264 PolarHBondContact OD1-NZ 2.86Å; D262-K264 VanDerWaalsContact OD2-CE 3.27Å; D262-K264 WeakPolarHBondContact OD2-CE 3.11Å; D262-K264 IonicContact OD2-NZ 3.17Å; D262-K264 PolarHBondContact OD2-NZ 2.79Å | ||
| 263 | M | 98.4 | Very high | 97.3 | Very high | 56 Ų | 56 | 45.2 Ų | 45.2 | 28% | 0.276 | 23% | 0.233 | S | C | . | . | trans | -62.8 | 130 | 173.8 | -171.6 | -171 | -76 | 0 | 0 | 110.9 | T203 I205 F223 Y254 T255 I256 T261 | T203-M263 HydrophobicContact CG2-CE 3.72Å; I205-M263 HydrophobicContact CD1-CE 3.97Å; I205-M263 HydrophobicContact CD1-SD 3.53Å; I205-M263 VanDerWaalsContact CD1-SD 3.53Å; I205-M263 HydrophobicContact CG1-CE 4.33Å; I205-M263 HydrophobicContact CG1-SD 4.48Å; F223-M263 HydrophobicContact CZ-CE 4.18Å; F223-M263 HydrophobicContact CZ-CG 4.43Å; Y254-M263 HydrophobicContact CD1-CG 4.25Å; Y254-M263 HydrophobicContact CD1-SD 4.32Å; T255-M263 CarbonylContact O-C 3.56Å; T255-M263 VanDerWaalsContact O-CA 3.29Å; T255-M263 WeakPolarHBondContact O-CA 3.36Å; I256-M263 HydrophobicContact CB-CB 4.39Å; I256-M263 HydrophobicContact CB-CG 4.49Å; I256-M263 HydrophobicContact CD1-CB 3.99Å; I256-M263 HydrophobicContact CD1-CE 3.77Å; I256-M263 HydrophobicContact CD1-CG 4.37Å; I256-M263 HydrophobicContact CG1-CB 4.03Å; T261-M263 PolarHBondContact O-N 2.72Å | ||
| 264 | K | 97.9 | Very high | 97.2 | Very high | 88 Ų | 88 | 45.8 Ų | 45.8 | 38% | 0.383 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 132.9 | -179.6 | -68.4 | 173 | -173.5 | 154.2 | 0 | 111.5 | Y254 T255 D262 I266 | Y254-K264 CarbonylContact C-O 3.56Å; Y254-K264 WeakPolarHBondContact CA-O 3.37Å; Y254-K264 WeakPolarHBondContact CB-O 3.4Å; T255-K264 PolarHBondContact N-O 2.94Å; T255-K264 PolarHBondContact O-N 2.9Å; D262-K264 VanDerWaalsContact CG-CE 3.41Å; D262-K264 VanDerWaalsContact CG-NZ 3.31Å; D262-K264 PolarHBondContact O-N 3.18Å; D262-K264 WeakPolarHBondContact OD1-CE 3.48Å; D262-K264 IonicContact OD1-NZ 2.97Å; D262-K264 PolarHBondContact OD1-NZ 2.86Å; D262-K264 VanDerWaalsContact OD2-CE 3.27Å; D262-K264 WeakPolarHBondContact OD2-CE 3.11Å; D262-K264 IonicContact OD2-NZ 3.17Å; D262-K264 PolarHBondContact OD2-NZ 2.79Å; K264-I266 HydrophobicContact CB-CD1 4.13Å |
| 265 | Q | 97.8 | Very high | 97.2 | Very high | 83 Ų | 83 | 45.2 Ų | 45.2 | 39% | 0.388 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 120.5 | 165.6 | -173.2 | 172.2 | 9.7 | 0 | 0 | 109.3 | D252 Y254 T267 | D252-Q265 PolarHBondContact OD2-NE2 2.93Å; Y254-Q265 HydrophobicContact CD1-CB 3.9Å; Y254-Q265 HydrophobicContact CD1-CG 4.42Å; Y254-Q265 HydrophobicContact CE1-CB 3.44Å; Y254-Q265 VanDerWaalsContact CE1-CB 3.44Å; Y254-Q265 HydrophobicContact CE1-CG 3.81Å; Y254-Q265 HydrophobicContact CE2-CG 4.04Å; Y254-Q265 VanDerWaalsContact OH-CD 3.27Å; Y254-Q265 PolarHBondContact OH-OE1 3.46Å; Q265-T267 WeakPolarHBondContact CG-O 3.45Å; Q265-T267 PolarHBondContact NE2-O 3.4Å |
| 266 | I | 98.6 | Very high | 97.2 | Very high | 14 Ų | 14 | 45 Ų | 45 | 7% | 0.072 | 23% | 0.233 | C | C | . | . | trans | -92.6 | -37.4 | -179.1 | -55.3 | -49.4 | 0 | 0 | 0 | 111.2 | I253 T255 K264 I285 V305 D307 G309 | I253-I266 HydrophobicContact CB-CB 4.4Å; I253-I266 HydrophobicContact CG2-CB 4.33Å; I253-I266 WeakPolarHBondContact O-CA 3.43Å; I253-I266 WeakPolarHBondContact O-CB 3.37Å; I253-I266 PolarHBondContact O-N 2.91Å; T255-I266 HydrophobicContact CG2-CD1 4.09Å; T255-I266 HydrophobicContact CG2-CG1 3.8Å; K264-I266 HydrophobicContact CB-CD1 4.13Å; I266-I285 HydrophobicContact CG1-CD1 4.27Å; I266-I285 HydrophobicContact CG2-CD1 4.35Å; I266-V305 HydrophobicContact CG2-CG1 3.73Å; I266-D307 WeakPolarHBondContact CD1-O 3.27Å; I266-G309 WeakPolarHBondContact O-CA 3.49Å | ||
| 267 | T | 98.5 | Very high | 97.2 | Very high | 8 Ų | 8 | 46.7 Ų | 46.7 | 5% | 0.049 | 24% | 0.24 | C | C | . | . | trans | -119.1 | 151.5 | 178.9 | 69 | 0 | 0 | 0 | 0 | 111.7 | D252 I253 Q265 F287 | D252-T267 WeakPolarHBondContact CA-OG1 3.29Å; D252-T267 VanDerWaalsContact CB-O 3.24Å; D252-T267 WeakPolarHBondContact CB-O 3.11Å; D252-T267 PolarHBondContact OD1-OG1 3.27Å; I253-T267 HydrophobicContact CB-CG2 3.99Å; I253-T267 HydrophobicContact CG1-CG2 4.04Å; I253-T267 PolarHBondContact N-OG1 2.76Å; I253-T267 PolarHBondContact O-N 3.04Å; Q265-T267 WeakPolarHBondContact CG-O 3.45Å; Q265-T267 PolarHBondContact NE2-O 3.4Å; T267-F287 HydrophobicContact CG2-CE1 4.27Å; T267-F287 HydrophobicContact CG2-CE2 4.22Å; T267-F287 HydrophobicContact CG2-CZ 3.87Å | ||
| 268 | D | 95.8 | Very high | 97.2 | Very high | 74 Ų | 74 | 45.1 Ų | 45.1 | 40% | 0.396 | 23% | 0.231 | S | C | . | . | trans | -145 | 59.8 | 168.1 | -176.6 | 15.3 | 0 | 0 | 0 | 109.2 | D252 K270 | D252-D268 VanDerWaalsContact OD1-CA 3.28Å; D252-D268 WeakPolarHBondContact OD1-CA 3.37Å; D252-D268 PolarHBondContact OD1-N 3.31Å; D268-K270 VanDerWaalsContact C-N 3.27Å; D268-K270 PolarHBondContact O-N 2.84Å; D268-K270 VanDerWaalsContact OD1-CE 3.26Å; D268-K270 WeakPolarHBondContact OD1-CE 3.49Å; D268-K270 IonicContact OD1-NZ 3.08Å; D268-K270 PolarHBondContact OD1-NZ 2.83Å; D268-K270 WeakPolarHBondContact OD2-CE 3.42Å; D268-K270 IonicContact OD2-NZ 3.36Å; D268-K270 PolarHBondContact OD2-NZ 3.05Å | ||
| 269 | L | 95.2 | Very high | 97.2 | Very high | 41 Ų | 41 | 44 Ų | 44 | 22% | 0.215 | 22% | 0.223 | C | C | . | . | trans | -85.3 | 2.3 | -167.4 | -60.4 | 178.7 | 0 | 0 | 0 | 113.6 | D252 Y271 F287 H291 L312 | D252-L269 PolarHBondContact OD1-N 2.94Å; L269-Y271 WeakPolarHBondContact O-CD2 3.33Å; L269-Y271 PolarHBondContact O-N 2.84Å; L269-F287 HydrophobicContact CD1-CE2 3.93Å; L269-F287 HydrophobicContact CD1-CZ 4Å; L269-H291 HydrophobicContact CB-CB 3.78Å; L269-H291 HydrophobicContact CD1-CB 4.42Å; L269-L312 HydrophobicContact CD1-CD2 4.27Å; L269-L312 HydrophobicContact CD2-CD2 3.94Å | ||
| 270 | K | 91.9 | Very high | 97.1 | Very high | 127 Ų | 127 | 41.4 Ų | 41.4 | 55% | 0.552 | 21% | 0.212 | S | C | * | . | S | Bend | trans | 63.6 | 14.9 | 178.1 | -45.5 | -57.3 | 174.6 | -172.4 | 0 | 115 | L250 D268 | L250-K270 WeakPolarHBondContact CD2-O 3.19Å; D268-K270 VanDerWaalsContact C-N 3.27Å; D268-K270 PolarHBondContact O-N 2.84Å; D268-K270 VanDerWaalsContact OD1-CE 3.26Å; D268-K270 WeakPolarHBondContact OD1-CE 3.49Å; D268-K270 IonicContact OD1-NZ 3.08Å; D268-K270 PolarHBondContact OD1-NZ 2.83Å; D268-K270 WeakPolarHBondContact OD2-CE 3.42Å; D268-K270 IonicContact OD2-NZ 3.36Å; D268-K270 PolarHBondContact OD2-NZ 3.05Å |
| 271 | Y | 92.3 | Very high | 97 | Very high | 67 Ų | 67 | 43.2 Ų | 43.2 | 26% | 0.263 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -142.3 | -168.7 | 178.1 | -73.7 | -85.1 | 0 | 0 | 0 | 108.3 | M251 L269 N290 H291 K294 | M251-Y271 VanDerWaalsContact O-O 3.05Å; L269-Y271 WeakPolarHBondContact O-CD2 3.33Å; L269-Y271 PolarHBondContact O-N 2.84Å; Y271-N290 WeakPolarHBondContact CB-OD1 3.47Å; Y271-H291 HydrophobicContact CD2-CB 3.94Å; Y271-H291 HydrophobicContact CG-CB 4.28Å; Y271-K294 HydrophobicContact CE2-CG 4.35Å; Y271-K294 WeakPolarHBondContact OH-CG 3.19Å |
| 272 | A | 94.1 | Very high | 96.9 | Very high | 3 Ų | 3 | 41 Ų | 41 | 3% | 0.025 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -81 | 124.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | S289 N290 F300 | A272-S289 WeakPolarHBondContact O-CA 3.42Å; A272-S289 WeakPolarHBondContact O-CB 3.38Å; A272-S289 PolarHBondContact O-OG 3.24Å; A272-N290 PolarHBondContact N-OD1 2.92Å; A272-N290 PolarHBondContact O-N 2.85Å; A272-N290 PolarHBondContact O-OD1 2.95Å; A272-N290 VanDerWaalsContact O-OD1 3.13Å; A272-F300 HydrophobicContact CB-CE1 3.85Å; A272-F300 HydrophobicContact CB-CZ 3.93Å |
| 273 | S | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 119.8 | 168.4 | -50.4 | 0 | 0 | 0 | 0 | 107.4 | M251 I253 S288 S289 | M251-S273 CarbonylContact C-O 3.46Å; M251-S273 VanDerWaalsContact CB-O 3.31Å; M251-S273 WeakPolarHBondContact CB-O 3.27Å; M251-S273 WeakPolarHBondContact O-CB 3.31Å; M251-S273 PolarHBondContact O-N 3.48Å; I253-S273 WeakPolarHBondContact CD1-O 3.41Å; S273-S288 CarbonylContact C-O 3.53Å; S273-S288 WeakPolarHBondContact CA-O 3.45Å; S273-S289 PolarHBondContact OG-OG 3.28Å |
| 274 | W | 97.6 | Very high | 96.9 | Very high | 12 Ų | 12 | 42.7 Ų | 42.7 | 5% | 0.045 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 178.9 | -167.2 | 67.1 | -66.7 | 0 | 0 | 0 | 112.5 | W138 R224 M251 S288 F300 F321 S323 F324 | W138-W274 HydrophobicContact CH2-CD2 4.41Å; W138-W274 AromaticContact CH2-CE3 3.88Å; W138-W274 HydrophobicContact CH2-CE3 3.88Å; W138-W274 HydrophobicContact CH2-CZ3 4.3Å; W138-W274 HydrophobicContact CZ2-CE3 4.11Å; W138-W274 HydrophobicContact CZ2-CZ3 4.16Å; R224-W274 HydrophobicContact CB-CB 4.11Å; M251-W274 HydrophobicContact SD-CB 4.14Å; W274-S288 PolarHBondContact N-O 3.47Å; W274-S288 PolarHBondContact O-N 3.46Å; W274-F300 AromaticContact CD1-CD1 3.98Å; W274-F300 AromaticContact CD1-CE1 3.55Å; W274-F300 AromaticContact NE1-CD1 3.19Å; W274-F300 AromaticContact NE1-CE1 2.98Å; W274-F300 AromaticContact NE1-CZ 3.73Å; W274-F321 AromaticContact CH2-CZ 3.93Å; W274-F321 HydrophobicContact CH2-CZ 3.93Å; W274-F321 AromaticContact CZ2-CE2 3.91Å; W274-F321 HydrophobicContact CZ2-CE2 3.91Å; W274-F321 AromaticContact CZ2-CZ 3.63Å; W274-F321 HydrophobicContact CZ2-CZ 3.63Å; W274-S323 WeakPolarHBondContact CH2-OG 3.29Å; W274-S323 WeakPolarHBondContact CZ2-OG 3.15Å; W274-F324 HydrophobicContact CH2-CE1 4.18Å; W274-F324 AromaticContact CH2-CE2 3.7Å; W274-F324 HydrophobicContact CH2-CE2 3.7Å; W274-F324 AromaticContact CH2-CZ 3.53Å; W274-F324 HydrophobicContact CH2-CZ 3.53Å; W274-F324 HydrophobicContact CZ3-CD1 4.43Å; W274-F324 AromaticContact CZ3-CE1 3.61Å; W274-F324 HydrophobicContact CZ3-CE1 3.61Å; W274-F324 HydrophobicContact CZ3-CE2 4.01Å; W274-F324 AromaticContact CZ3-CZ 3.37Å; W274-F324 HydrophobicContact CZ3-CZ 3.37Å |
| 275 | A | 97.9 | Very high | 96.9 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 3% | 0.033 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 48.3 | 55.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F324 P325 | A275-F324 HydrophobicContact CB-CD1 4.07Å; A275-P325 WeakPolarHBondContact O-CD 3.32Å |
| 276 | P | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 152.1 | -179.3 | 32.3 | -34.3 | 0 | 0 | 0 | 111.7 | F213 V222 I253 I285 I286 F287 | F213-P276 WeakPolarHBondContact CD2-O 3.42Å; F213-P276 WeakPolarHBondContact CE2-O 3.37Å; V222-P276 HydrophobicContact CB-CB 4.45Å; V222-P276 HydrophobicContact CG1-CB 4.1Å; V222-P276 HydrophobicContact CG1-CG 4.23Å; V222-P276 HydrophobicContact CG2-CB 3.56Å; V222-P276 HydrophobicContact CG2-CG 3.86Å; I253-P276 HydrophobicContact CD1-CB 3.89Å; I253-P276 HydrophobicContact CD1-CG 4.01Å; I253-P276 HydrophobicContact CG1-CB 4.49Å; I253-P276 HydrophobicContact CG2-CB 3.97Å; I253-P276 HydrophobicContact CG2-CG 4.46Å; P276-I285 HydrophobicContact CB-CG2 3.88Å; P276-I286 CarbonylContact C-O 3.25Å; P276-I286 VanDerWaalsContact CA-O 3.25Å; P276-I286 WeakPolarHBondContact CA-O 3.34Å; P276-F287 HydrophobicContact CB-CB 4.35Å |
| 277 | Y | 98.8 | Very high | 97 | Very high | 40 Ų | 40 | 33.9 Ų | 33.9 | 16% | 0.157 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 142.4 | 168.6 | -167.4 | -96.2 | 0 | 0 | 0 | 109.7 | F213 I285 I286 P325 M326 F327 | F213-Y277 HydrophobicContact CB-CD2 4.13Å; F213-Y277 HydrophobicContact CB-CE2 4.48Å; F213-Y277 AromaticContact CD1-CD2 3.45Å; F213-Y277 HydrophobicContact CD1-CD2 3.45Å; F213-Y277 VanDerWaalsContact CD1-CD2 3.45Å; F213-Y277 AromaticContact CD1-CE2 3.56Å; F213-Y277 HydrophobicContact CD1-CE2 3.56Å; F213-Y277 HydrophobicContact CD2-CD2 4.33Å; F213-Y277 AromaticContact CE1-CD2 3.88Å; F213-Y277 HydrophobicContact CE1-CD2 3.88Å; F213-Y277 HydrophobicContact CE1-CE2 4.07Å; F213-Y277 AromaticContact CG-CD2 3.7Å; F213-Y277 HydrophobicContact CG-CD2 3.7Å; F213-Y277 HydrophobicContact CG-CE2 4.18Å; F213-Y277 HydrophobicContact CZ-CD2 4.48Å; Y277-I285 WeakPolarHBondContact O-CA 3.49Å; Y277-I286 PolarHBondContact N-O 2.87Å; Y277-I286 WeakPolarHBondContact O-CG2 3.47Å; Y277-I286 PolarHBondContact O-N 3.03Å; Y277-P325 VanDerWaalsContact CB-O 3.32Å; Y277-P325 WeakPolarHBondContact CB-O 3.29Å; Y277-M326 HydrophobicContact CD1-CG 4.17Å; Y277-M326 HydrophobicContact CD2-CB 4.43Å; Y277-M326 HydrophobicContact CD2-CG 4.05Å; Y277-M326 HydrophobicContact CE1-CG 3.81Å; Y277-M326 HydrophobicContact CE2-CE 4.11Å; Y277-M326 HydrophobicContact CE2-CG 3.69Å; Y277-M326 HydrophobicContact CE2-SD 4.25Å; Y277-M326 HydrophobicContact CG-CB 4.44Å; Y277-M326 HydrophobicContact CG-CG 4.3Å; Y277-M326 WeakPolarHBondContact OH-CE 3.3Å; Y277-F327 HydrophobicContact CD1-CB 4.41Å; Y277-F327 HydrophobicContact CD1-CD2 4.09Å; Y277-F327 HydrophobicContact CE1-CB 4.09Å |
| 278 | Y | 98.7 | Very high | 97 | Very high | 5 Ų | 5 | 33.5 Ų | 33.5 | 2% | 0.02 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 137.4 | 177.1 | -81.7 | -80.6 | 0 | 0 | 0 | 111.3 | F214 V222 T255 I285 | F214-Y278 WeakPolarHBondContact O-CD2 3.2Å; V222-Y278 HydrophobicContact CB-CD2 3.96Å; V222-Y278 HydrophobicContact CB-CE2 3.39Å; V222-Y278 HydrophobicContact CG1-CD2 3.43Å; V222-Y278 VanDerWaalsContact CG1-CD2 3.43Å; V222-Y278 HydrophobicContact CG1-CE2 3.41Å; V222-Y278 VanDerWaalsContact CG1-CE2 3.41Å; V222-Y278 HydrophobicContact CG1-CG 4.32Å; T255-Y278 VanDerWaalsContact CG2-OH 3.27Å; T255-Y278 WeakPolarHBondContact CG2-OH 3.39Å; Y278-I285 HydrophobicContact CD1-CG1 3.83Å; Y278-I285 HydrophobicContact CE1-CD1 4.08Å; Y278-I285 HydrophobicContact CE1-CG1 3.8Å |
| 279 | H | 98.2 | Very high | 97.1 | Very high | 12 Ų | 12 | 30 Ų | 30 | 6% | 0.056 | 15% | 0.146 | C | C | . | . | trans | -64.2 | 145.9 | 162.1 | -175.5 | -84.5 | 0 | 0 | 0 | 109.6 | D281 G282 R284 I304 F327 W355 E357 | H279-D281 IonicContact CE1-OD2 3.25Å; H279-D281 IonicContact CG-OD1 3.42Å; H279-D281 IonicContact CG-OD2 2.72Å; H279-D281 PolarHBondContact ND1-N 2.7Å; H279-D281 VanDerWaalsContact ND1-N 3.14Å; H279-D281 IonicContact ND1-OD1 3.75Å; H279-D281 PolarHBondContact ND1-OD1 3.3Å; H279-D281 VanDerWaalsContact ND1-OD1 3.07Å; H279-D281 IonicContact ND1-OD2 3.53Å; H279-D281 PolarHBondContact ND1-OD2 2.91Å; H279-D281 PolarHBondContact O-N 3.14Å; H279-G282 PolarHBondContact O-N 2.93Å; H279-R284 HydrophobicContact CB-CB 3.72Å; H279-R284 WeakPolarHBondContact CB-O 3.42Å; H279-R284 PolarHBondContact CE1-NH2 2.94Å; H279-R284 PolarHBondContact N-O 2.8Å; H279-R284 PolarHBondContact ND1-NH2 2.74Å; H279-R284 PolarHBondContact NE2-NH2 2.88Å; H279-I304 HydrophobicContact CB-CD1 4.41Å; H279-F327 HydrophobicContact CB-CD2 4.44Å; H279-F327 HydrophobicContact CB-CE2 4.02Å; H279-F327 AromaticContact CD2-CE1 3.92Å; H279-F327 AromaticContact CD2-CE2 3.72Å; H279-F327 AromaticContact CD2-CZ 3.5Å; H279-F327 VanDerWaalsContact CD2-CZ 3.5Å; H279-F327 WeakPolarHBondContact CD2-CZ 3.05Å; H279-W355 AromaticContact NE2-CE2 3.94Å; H279-W355 AromaticContact NE2-NE1 3.38Å; H279-W355 PolarHBondContact NE2-NE1 2.89Å; H279-E357 IonicContact CE1-OE2 3.04Å; H279-E357 IonicContact NE2-OE2 3.38Å | ||
| 280 | P | 96.1 | Very high | 97 | Very high | 53 Ų | 53 | 28.5 Ų | 28.5 | 34% | 0.344 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -19.2 | -179.6 | -28 | 29.7 | 0 | 0 | 0 | 116.4 | G282 F327 | P280-G282 PolarHBondContact O-N 2.87Å; P280-F327 HydrophobicContact CG-CB 3.85Å; P280-F327 HydrophobicContact CG-CD1 4.5Å; P280-F327 HydrophobicContact CG-CG 4.11Å |
| 281 | D | 96.2 | Very high | 97.1 | Very high | 67 Ų | 67 | 24.2 Ų | 24.2 | 36% | 0.358 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -9 | 175.1 | 64.6 | 11.4 | 0 | 0 | 0 | 113.8 | H279 K283 R284 | H279-D281 IonicContact CE1-OD2 3.25Å; H279-D281 IonicContact CG-OD1 3.42Å; H279-D281 IonicContact CG-OD2 2.72Å; H279-D281 PolarHBondContact ND1-N 2.7Å; H279-D281 VanDerWaalsContact ND1-N 3.14Å; H279-D281 IonicContact ND1-OD1 3.75Å; H279-D281 PolarHBondContact ND1-OD1 3.3Å; H279-D281 VanDerWaalsContact ND1-OD1 3.07Å; H279-D281 IonicContact ND1-OD2 3.53Å; H279-D281 PolarHBondContact ND1-OD2 2.91Å; H279-D281 PolarHBondContact O-N 3.14Å; D281-K283 PolarHBondContact O-N 2.92Å; D281-K283 PolarHBondContact OD1-N 2.9Å; D281-R284 PolarHBondContact OD1-N 3.44Å; D281-R284 IonicContact OD2-CZ 3.82Å; D281-R284 VanDerWaalsContact OD2-CZ 3.22Å; D281-R284 IonicContact OD2-NE 3.71Å; D281-R284 PolarHBondContact OD2-NE 3.37Å; D281-R284 IonicContact OD2-NH2 2.83Å; D281-R284 PolarHBondContact OD2-NH2 3.04Å |
| 282 | G | 97 | Very high | 96.9 | Very high | 25 Ų | 25 | 23.3 Ų | 23.3 | 26% | 0.258 | 12% | 0.118 | S | C | . | . | S | Bend | trans | 68.9 | 9.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | H279 P280 | H279-G282 PolarHBondContact O-N 2.93Å; P280-G282 PolarHBondContact O-N 2.87Å |
| 283 | K | 97.2 | Very high | 96.3 | Very high | 139 Ų | 139 | 26.3 Ų | 26.3 | 60% | 0.604 | 13% | 0.131 | S | C | * | . | S | Bend | trans | -118.8 | -12 | -174.5 | -65.5 | 179.2 | -176.9 | -179.1 | 0 | 113.6 | D281 N306 D307 | D281-K283 PolarHBondContact O-N 2.92Å; D281-K283 PolarHBondContact OD1-N 2.9Å; K283-N306 CarbonylContact O-C 3.57Å; K283-N306 WeakPolarHBondContact O-CA 3.46Å; K283-D307 PolarHBondContact O-N 2.6Å |
| 284 | R | 98.4 | Very high | 95.2 | Very high | 35 Ų | 35 | 33.2 Ų | 33.2 | 13% | 0.132 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 155.3 | 178.5 | -67.8 | 175.8 | -67.8 | 165.2 | -3.6 | 110.7 | H279 D281 I304 V305 N306 E357 | H279-R284 HydrophobicContact CB-CB 3.72Å; H279-R284 WeakPolarHBondContact CB-O 3.42Å; H279-R284 PolarHBondContact CE1-NH2 2.94Å; H279-R284 PolarHBondContact N-O 2.8Å; H279-R284 PolarHBondContact ND1-NH2 2.74Å; H279-R284 PolarHBondContact NE2-NH2 2.88Å; D281-R284 PolarHBondContact OD1-N 3.44Å; D281-R284 IonicContact OD2-CZ 3.82Å; D281-R284 VanDerWaalsContact OD2-CZ 3.22Å; D281-R284 IonicContact OD2-NE 3.71Å; D281-R284 PolarHBondContact OD2-NE 3.37Å; D281-R284 IonicContact OD2-NH2 2.83Å; D281-R284 PolarHBondContact OD2-NH2 3.04Å; R284-I304 HydrophobicContact CB-CD1 3.91Å; R284-I304 HydrophobicContact CB-CG1 3.94Å; R284-V305 CarbonylContact C-O 3.46Å; R284-V305 WeakPolarHBondContact CA-O 3.05Å; R284-N306 WeakPolarHBondContact CG-OD1 3.14Å; R284-E357 IonicContact CZ-OE1 3.39Å; R284-E357 IonicContact CZ-OE2 2.95Å; R284-E357 IonicContact NH1-OE1 2.67Å; R284-E357 PolarHBondContact NH1-OE1 2.81Å; R284-E357 IonicContact NH1-OE2 3.89Å; R284-E357 VanDerWaalsContact NH2-CD 3.27Å; R284-E357 IonicContact NH2-OE1 2.96Å; R284-E357 PolarHBondContact NH2-OE1 2.87Å; R284-E357 IonicContact NH2-OE2 3.03Å; R284-E357 PolarHBondContact NH2-OE2 2.89Å |
| 285 | I | 98.9 | Very high | 94 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 121.7 | -178.1 | -63.7 | 162.4 | 0 | 0 | 0 | 107.3 | V222 I253 T255 I266 P276 Y277 Y278 I304 V305 D307 | V222-I285 HydrophobicContact CG2-CD1 3.83Å; V222-I285 HydrophobicContact CG2-CG1 4.2Å; V222-I285 HydrophobicContact CG2-CG2 3.82Å; I253-I285 HydrophobicContact CG2-CG2 4.12Å; T255-I285 HydrophobicContact CG2-CD1 3.75Å; I266-I285 HydrophobicContact CG1-CD1 4.27Å; I266-I285 HydrophobicContact CG2-CD1 4.35Å; P276-I285 HydrophobicContact CB-CG2 3.88Å; Y277-I285 WeakPolarHBondContact O-CA 3.49Å; Y278-I285 HydrophobicContact CD1-CG1 3.83Å; Y278-I285 HydrophobicContact CE1-CD1 4.08Å; Y278-I285 HydrophobicContact CE1-CG1 3.8Å; I285-I304 CarbonylContact O-C 3.51Å; I285-I304 VanDerWaalsContact O-CA 3.29Å; I285-I304 WeakPolarHBondContact O-CA 3.26Å; I285-I304 WeakPolarHBondContact O-CG1 3.28Å; I285-V305 HydrophobicContact CB-CG1 4.26Å; I285-V305 PolarHBondContact N-O 3.45Å; I285-V305 PolarHBondContact O-N 3Å; I285-D307 HydrophobicContact CD1-CB 4.36Å |
| 286 | I | 98.9 | Very high | 93 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 142.3 | 168.9 | -167.7 | 170.7 | 0 | 0 | 0 | 109.1 | P276 Y277 L302 F303 I304 I315 P325 F327 L334 | P276-I286 CarbonylContact C-O 3.25Å; P276-I286 VanDerWaalsContact CA-O 3.25Å; P276-I286 WeakPolarHBondContact CA-O 3.34Å; Y277-I286 PolarHBondContact N-O 2.87Å; Y277-I286 WeakPolarHBondContact O-CG2 3.47Å; Y277-I286 PolarHBondContact O-N 3.03Å; I286-L302 HydrophobicContact CD1-CB 4.37Å; I286-L302 HydrophobicContact CD1-CD1 4.29Å; I286-L302 HydrophobicContact CG1-CB 4.49Å; I286-F303 CarbonylContact C-O 3.55Å; I286-F303 WeakPolarHBondContact CA-O 3.38Å; I286-F303 VanDerWaalsContact CG1-O 3.32Å; I286-F303 WeakPolarHBondContact CG1-O 3.41Å; I286-I304 HydrophobicContact CB-CG1 4.47Å; I286-I315 HydrophobicContact CD1-CG1 4.46Å; I286-P325 HydrophobicContact CB-CG 4.4Å; I286-P325 HydrophobicContact CD1-CB 3.85Å; I286-P325 HydrophobicContact CD1-CG 4.43Å; I286-P325 HydrophobicContact CG1-CB 4.01Å; I286-P325 HydrophobicContact CG1-CG 4.03Å; I286-P325 HydrophobicContact CG2-CB 3.79Å; I286-P325 HydrophobicContact CG2-CG 3.78Å; I286-F327 HydrophobicContact CB-CE2 4.02Å; I286-F327 HydrophobicContact CD1-CE2 4.43Å; I286-F327 HydrophobicContact CD1-CZ 4.28Å; I286-F327 HydrophobicContact CG2-CD2 4.11Å; I286-F327 HydrophobicContact CG2-CE2 3.55Å; I286-F327 HydrophobicContact CG2-CZ 4.41Å; I286-L334 HydrophobicContact CD1-CD1 3.85Å; I286-L334 HydrophobicContact CD1-CD2 3.79Å |
| 287 | F | 98.8 | Very high | 92 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 164.9 | -178.4 | 65.1 | -80.3 | 0 | 0 | 0 | 111 | I253 T267 L269 P276 L302 F303 V305 L312 | I253-F287 HydrophobicContact CD1-CB 4.05Å; I253-F287 HydrophobicContact CD1-CG 4.44Å; I253-F287 HydrophobicContact CG1-CB 4.03Å; I253-F287 HydrophobicContact CG1-CD1 4.48Å; I253-F287 HydrophobicContact CG1-CD2 4.03Å; I253-F287 HydrophobicContact CG1-CG 3.94Å; T267-F287 HydrophobicContact CG2-CE1 4.27Å; T267-F287 HydrophobicContact CG2-CE2 4.22Å; T267-F287 HydrophobicContact CG2-CZ 3.87Å; L269-F287 HydrophobicContact CD1-CE2 3.93Å; L269-F287 HydrophobicContact CD1-CZ 4Å; P276-F287 HydrophobicContact CB-CB 4.35Å; F287-L302 CarbonylContact O-C 3.52Å; F287-L302 WeakPolarHBondContact O-CA 3.46Å; F287-F303 HydrophobicContact CD1-CB 4.32Å; F287-F303 WeakPolarHBondContact CD1-O 3.45Å; F287-F303 HydrophobicContact CE1-CB 3.78Å; F287-F303 HydrophobicContact CE2-CB 4.12Å; F287-F303 HydrophobicContact CZ-CB 3.68Å; F287-F303 HydrophobicContact CZ-CG 4.49Å; F287-F303 PolarHBondContact N-O 3.3Å; F287-F303 PolarHBondContact O-N 3.36Å; F287-V305 HydrophobicContact CD1-CG1 4.25Å; F287-V305 HydrophobicContact CE1-CB 4.08Å; F287-V305 HydrophobicContact CE1-CG1 3.76Å; F287-L312 HydrophobicContact CE1-CD1 3.96Å; F287-L312 HydrophobicContact CZ-CD1 3.65Å |
| 288 | S | 98.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 137.1 | 173.7 | -174.2 | 0 | 0 | 0 | 0 | 111 | S273 W274 F300 N301 D322 S323 | S273-S288 CarbonylContact C-O 3.53Å; S273-S288 WeakPolarHBondContact CA-O 3.45Å; W274-S288 PolarHBondContact N-O 3.47Å; W274-S288 PolarHBondContact O-N 3.46Å; S288-F300 WeakPolarHBondContact OG-CB 3.19Å; S288-F300 WeakPolarHBondContact OG-CD1 3.25Å; S288-N301 WeakPolarHBondContact CA-O 3.15Å; S288-D322 PolarHBondContact OG-O 2.99Å; S288-S323 WeakPolarHBondContact CB-OG 3.17Å; S288-S323 WeakPolarHBondContact OG-CB 3.47Å; S288-S323 PolarHBondContact OG-OG 2.98Å |
| 289 | S | 97.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 149.5 | 174.2 | -173.7 | 0 | 0 | 0 | 0 | 114.4 | A272 S273 H291 H292 F300 N301 F303 | A272-S289 WeakPolarHBondContact O-CA 3.42Å; A272-S289 WeakPolarHBondContact O-CB 3.38Å; A272-S289 PolarHBondContact O-OG 3.24Å; S273-S289 PolarHBondContact OG-OG 3.28Å; S289-H291 WeakPolarHBondContact CB-ND1 3.42Å; S289-H291 PolarHBondContact OG-N 3.4Å; S289-H291 PolarHBondContact OG-ND1 3.18Å; S289-H292 PolarHBondContact O-CE1 3.22Å; S289-H292 PolarHBondContact O-ND1 3.5Å; S289-F300 VanDerWaalsContact C-CD1 3.43Å; S289-F300 WeakPolarHBondContact O-CA 3.23Å; S289-N301 PolarHBondContact N-O 2.85Å; S289-N301 PolarHBondContact O-N 2.92Å; S289-F303 WeakPolarHBondContact O-CE2 3.14Å |
| 290 | N | 94.7 | Very high | 90.7 | Very high | 10 Ų | 10 | 55.1 Ų | 55.1 | 5% | 0.053 | 27% | 0.272 | C | S | . | . | trans | -104.6 | 7.5 | 175.4 | 62.1 | -11.8 | 0 | 0 | 0 | 113.8 | Y271 A272 H292 H293 P297 T299 F300 | Y271-N290 WeakPolarHBondContact CB-OD1 3.47Å; A272-N290 PolarHBondContact N-OD1 2.92Å; A272-N290 PolarHBondContact O-N 2.85Å; A272-N290 PolarHBondContact O-OD1 2.95Å; A272-N290 VanDerWaalsContact O-OD1 3.13Å; N290-H292 PolarHBondContact O-N 2.77Å; N290-H292 VanDerWaalsContact O-N 3.08Å; N290-H293 PolarHBondContact O-N 2.81Å; N290-H293 VanDerWaalsContact O-N 3.13Å; N290-P297 PolarHBondContact ND2-O 3.26Å; N290-T299 VanDerWaalsContact CA-O 3.23Å; N290-T299 WeakPolarHBondContact CA-O 3.29Å; N290-T299 WeakPolarHBondContact CB-O 3.45Å; N290-F300 HydrophobicContact CB-CD1 3.84Å; N290-F300 HydrophobicContact CB-CD2 4.07Å; N290-F300 HydrophobicContact CB-CE1 3.65Å; N290-F300 HydrophobicContact CB-CE2 3.92Å; N290-F300 HydrophobicContact CB-CG 4.05Å; N290-F300 HydrophobicContact CB-CZ 3.72Å; N290-F300 VanDerWaalsContact CG-CZ 3.45Å; N290-F300 WeakPolarHBondContact ND2-CZ 3.25Å | ||
| 291 | H | 93.6 | Very high | 90.7 | Very high | 37 Ų | 37 | 52.6 Ų | 52.6 | 17% | 0.171 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -25.8 | -174.8 | 71.8 | -85 | 0 | 0 | 0 | 115.1 | L269 Y271 S289 F303 | L269-H291 HydrophobicContact CB-CB 3.78Å; L269-H291 HydrophobicContact CD1-CB 4.42Å; Y271-H291 HydrophobicContact CD2-CB 3.94Å; Y271-H291 HydrophobicContact CG-CB 4.28Å; S289-H291 WeakPolarHBondContact CB-ND1 3.42Å; S289-H291 PolarHBondContact OG-N 3.4Å; S289-H291 PolarHBondContact OG-ND1 3.18Å; H291-F303 AromaticContact CE1-CD1 3.61Å; H291-F303 AromaticContact CE1-CD2 3.87Å; H291-F303 AromaticContact CE1-CE1 3.31Å; H291-F303 WeakPolarHBondContact CE1-CE1 3.46Å; H291-F303 AromaticContact CE1-CE2 3.62Å; H291-F303 AromaticContact CE1-CG 3.9Å; H291-F303 AromaticContact CE1-CZ 3.34Å; H291-F303 WeakPolarHBondContact CE1-CZ 3.03Å; H291-F303 AromaticContact NE2-CE1 3.72Å; H291-F303 AromaticContact NE2-CZ 3.97Å |
| 292 | H | 87.9 | Confident | 90.8 | Very high | 48 Ų | 48 | 49.4 Ų | 49.4 | 22% | 0.222 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -15.6 | -177.3 | 63.1 | -67 | 0 | 0 | 0 | 113.4 | S289 N290 N301 F303 | S289-H292 PolarHBondContact O-CE1 3.22Å; S289-H292 PolarHBondContact O-ND1 3.5Å; N290-H292 PolarHBondContact O-N 2.77Å; N290-H292 VanDerWaalsContact O-N 3.08Å; H292-N301 PolarHBondContact NE2-ND2 3.15Å; H292-F303 HydrophobicContact CB-CZ 4.13Å; H292-F303 AromaticContact CE1-CE2 3.82Å; H292-F303 AromaticContact CE1-CZ 3.84Å; H292-F303 AromaticContact CG-CZ 3.68Å; H292-F303 AromaticContact ND1-CE2 3.59Å; H292-F303 AromaticContact ND1-CZ 3.37Å; H292-F303 WeakPolarHBondContact ND1-CZ 3.42Å |
| 293 | H | 80.4 | Confident | 90.9 | Very high | 65 Ų | 65 | 48.5 Ų | 48.5 | 30% | 0.301 | 23% | 0.227 | S | C | . | . | trans | -120 | 75.3 | -178.3 | -74.9 | -53.4 | 0 | 0 | 0 | 112.9 | N290 W295 H296 T299 | N290-H293 PolarHBondContact O-N 2.81Å; N290-H293 VanDerWaalsContact O-N 3.13Å; H293-W295 PolarHBondContact O-N 2.71Å; H293-W295 VanDerWaalsContact O-N 3.09Å; H293-H296 HydrophobicContact CB-CB 4.35Å; H293-H296 CarbonylContact O-C 3.47Å; H293-H296 VanDerWaalsContact O-C 3.25Å; H293-H296 PolarHBondContact O-N 2.55Å; H293-T299 WeakPolarHBondContact CD2-CG2 3.39Å | ||
| 294 | K | 74.7 | Confident | 91 | Very high | 146 Ų | 146 | 42 Ų | 42 | 64% | 0.635 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -31.3 | -179.9 | -57.1 | -167.5 | 176.9 | -179.1 | 0 | 114.8 | Y271 | Y271-K294 HydrophobicContact CE2-CG 4.35Å; Y271-K294 WeakPolarHBondContact OH-CG 3.19Å |
| 295 | W | 74 | Confident | 91 | Very high | 232 Ų | 232 | 40.6 Ų | 40.6 | 88% | 0.879 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -10.9 | -177.8 | -56.6 | 107.6 | 0 | 0 | 0 | 113.7 | H293 | H293-W295 PolarHBondContact O-N 2.71Å; H293-W295 VanDerWaalsContact O-N 3.09Å |
| 296 | H | 76 | Confident | 91 | Very high | 113 Ų | 113 | 43.1 Ų | 43.1 | 52% | 0.523 | 21% | 0.208 | S | C | . | . | trans | -135.6 | 74.6 | 180 | -62.2 | -72.6 | 0 | 0 | 0 | 108.8 | H293 S298 T299 | H293-H296 HydrophobicContact CB-CB 4.35Å; H293-H296 CarbonylContact O-C 3.47Å; H293-H296 VanDerWaalsContact O-C 3.25Å; H293-H296 PolarHBondContact O-N 2.55Å; H296-S298 PolarHBondContact O-N 2.85Å; H296-T299 WeakPolarHBondContact CB-OG1 3.28Å; H296-T299 WeakPolarHBondContact O-CB 3.27Å; H296-T299 PolarHBondContact O-N 3.07Å | ||
| 297 | P | 77.4 | Confident | 90.8 | Very high | 79 Ų | 79 | 45.4 Ų | 45.4 | 51% | 0.513 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -12.5 | -176.2 | 27.3 | -35.8 | 0 | 0 | 0 | 113.4 | N290 T299 | N290-P297 PolarHBondContact ND2-O 3.26Å; P297-T299 VanDerWaalsContact C-N 3.27Å |
| 298 | S | 81.9 | Confident | 90.7 | Very high | 87 Ų | 87 | 50.5 Ų | 50.5 | 61% | 0.608 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -9.3 | 170.1 | 56.9 | 0 | 0 | 0 | 0 | 113.4 | H296 F300 | H296-S298 PolarHBondContact O-N 2.85Å; S298-F300 WeakPolarHBondContact O-CD2 3.49Å; S298-F300 PolarHBondContact O-N 3.22Å |
| 299 | T | 91 | Very high | 90.7 | Very high | 8 Ų | 8 | 51.9 Ų | 51.9 | 5% | 0.049 | 26% | 0.262 | C | S | . | . | trans | -88.7 | 108.6 | -177.5 | -55.1 | 0 | 0 | 0 | 0 | 111.6 | N290 H293 H296 P297 K319 T320 | N290-T299 VanDerWaalsContact CA-O 3.23Å; N290-T299 WeakPolarHBondContact CA-O 3.29Å; N290-T299 WeakPolarHBondContact CB-O 3.45Å; H293-T299 WeakPolarHBondContact CD2-CG2 3.39Å; H296-T299 WeakPolarHBondContact CB-OG1 3.28Å; H296-T299 WeakPolarHBondContact O-CB 3.27Å; H296-T299 PolarHBondContact O-N 3.07Å; P297-T299 VanDerWaalsContact C-N 3.27Å; T299-K319 PolarHBondContact OG1-O 3.46Å; T299-T320 WeakPolarHBondContact CA-O 3.25Å; T299-T320 WeakPolarHBondContact CG2-O 3.1Å | ||
| 300 | F | 95.3 | Very high | 90.7 | Very high | 14 Ų | 14 | 55.3 Ų | 55.3 | 6% | 0.061 | 28% | 0.283 | C | S | . | . | B | Isolated β-bridge | trans | -108.5 | 140.3 | 177.3 | -75.3 | -94 | 0 | 0 | 0 | 110.5 | A272 W274 S288 S289 N290 S298 T320 F321 D322 | A272-F300 HydrophobicContact CB-CE1 3.85Å; A272-F300 HydrophobicContact CB-CZ 3.93Å; W274-F300 AromaticContact CD1-CD1 3.98Å; W274-F300 AromaticContact CD1-CE1 3.55Å; W274-F300 AromaticContact NE1-CD1 3.19Å; W274-F300 AromaticContact NE1-CE1 2.98Å; W274-F300 AromaticContact NE1-CZ 3.73Å; S288-F300 WeakPolarHBondContact OG-CB 3.19Å; S288-F300 WeakPolarHBondContact OG-CD1 3.25Å; S289-F300 VanDerWaalsContact C-CD1 3.43Å; S289-F300 WeakPolarHBondContact O-CA 3.23Å; N290-F300 HydrophobicContact CB-CD1 3.84Å; N290-F300 HydrophobicContact CB-CD2 4.07Å; N290-F300 HydrophobicContact CB-CE1 3.65Å; N290-F300 HydrophobicContact CB-CE2 3.92Å; N290-F300 HydrophobicContact CB-CG 4.05Å; N290-F300 HydrophobicContact CB-CZ 3.72Å; N290-F300 VanDerWaalsContact CG-CZ 3.45Å; N290-F300 WeakPolarHBondContact ND2-CZ 3.25Å; S298-F300 WeakPolarHBondContact O-CD2 3.49Å; S298-F300 PolarHBondContact O-N 3.22Å; F300-T320 PolarHBondContact N-O 2.9Å; F300-F321 HydrophobicContact CB-CD2 3.77Å; F300-F321 HydrophobicContact CB-CE2 3.99Å; F300-F321 HydrophobicContact CB-CG 4.43Å; F300-F321 AromaticContact CD2-CD2 3.65Å; F300-F321 HydrophobicContact CD2-CD2 3.65Å; F300-F321 AromaticContact CD2-CE2 3.64Å; F300-F321 HydrophobicContact CD2-CE2 3.64Å; F300-F321 HydrophobicContact CE2-CE2 4.37Å; F300-F321 HydrophobicContact CG-CD2 4.03Å; F300-F321 AromaticContact CG-CE2 3.93Å; F300-F321 HydrophobicContact CG-CE2 3.93Å; F300-F321 CarbonylContact O-C 3.54Å; F300-F321 WeakPolarHBondContact O-CA 3.48Å; F300-D322 PolarHBondContact O-N 3.11Å |
| 301 | N | 97.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 164.4 | 168.7 | -83 | -71.5 | 0 | 0 | 0 | 109.5 | S288 S289 H292 F303 T316 Y317 D318 D322 | S288-N301 WeakPolarHBondContact CA-O 3.15Å; S289-N301 PolarHBondContact N-O 2.85Å; S289-N301 PolarHBondContact O-N 2.92Å; H292-N301 PolarHBondContact NE2-ND2 3.15Å; N301-F303 HydrophobicContact CB-CE2 3.88Å; N301-F303 HydrophobicContact CB-CZ 4.31Å; N301-F303 VanDerWaalsContact O-CD2 3.23Å; N301-F303 WeakPolarHBondContact O-CD2 3.43Å; N301-F303 WeakPolarHBondContact O-CE2 3.39Å; N301-T316 WeakPolarHBondContact CB-O 2.92Å; N301-T316 VanDerWaalsContact CG-O 3.27Å; N301-T316 PolarHBondContact OD1-O 2.99Å; N301-T316 VanDerWaalsContact OD1-O 3.08Å; N301-T316 PolarHBondContact OD1-OG1 3.14Å; N301-Y317 PolarHBondContact OD1-N 3.33Å; N301-D318 PolarHBondContact ND2-O 3.47Å; N301-D318 PolarHBondContact OD1-N 3.44Å; N301-D318 PolarHBondContact OD1-O 3.26Å; N301-D322 PolarHBondContact OD1-OD2 2.93Å |
| 302 | L | 98.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 139.3 | 174.2 | -57.2 | -177.5 | 0 | 0 | 0 | 110.6 | I286 F287 I315 T316 D322 P325 L334 F336 | I286-L302 HydrophobicContact CD1-CB 4.37Å; I286-L302 HydrophobicContact CD1-CD1 4.29Å; I286-L302 HydrophobicContact CG1-CB 4.49Å; F287-L302 CarbonylContact O-C 3.52Å; F287-L302 WeakPolarHBondContact O-CA 3.46Å; L302-I315 HydrophobicContact CB-CB 4.1Å; L302-I315 PolarHBondContact O-N 3.11Å; L302-T316 HydrophobicContact CB-CG2 4.03Å; L302-T316 HydrophobicContact CD1-CG2 3.82Å; L302-T316 HydrophobicContact CG-CG2 3.98Å; L302-T316 PolarHBondContact N-OG1 3.28Å; L302-T316 PolarHBondContact O-N 2.86Å; L302-D322 HydrophobicContact CD2-CB 4.48Å; L302-D322 HydrophobicContact CG-CB 4.05Å; L302-P325 HydrophobicContact CD1-CB 4.07Å; L302-P325 HydrophobicContact CD2-CB 4.08Å; L302-P325 HydrophobicContact CD2-CG 3.93Å; L302-L334 HydrophobicContact CD1-CD2 4.17Å; L302-F336 HydrophobicContact CD1-CB 3.71Å; L302-F336 HydrophobicContact CD1-CD1 4.49Å; L302-F336 HydrophobicContact CD1-CD2 4.21Å; L302-F336 HydrophobicContact CD1-CG 3.9Å |
| 303 | F | 98.7 | Very high | 91.5 | Very high | 5 Ų | 5 | 59.8 Ų | 59.8 | 2% | 0.022 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 153.2 | 176.4 | -65.4 | -95.3 | 0 | 0 | 0 | 109.4 | I286 F287 S289 H291 H292 N301 L312 E313 Q314 | I286-F303 CarbonylContact C-O 3.55Å; I286-F303 WeakPolarHBondContact CA-O 3.38Å; I286-F303 VanDerWaalsContact CG1-O 3.32Å; I286-F303 WeakPolarHBondContact CG1-O 3.41Å; F287-F303 HydrophobicContact CD1-CB 4.32Å; F287-F303 WeakPolarHBondContact CD1-O 3.45Å; F287-F303 HydrophobicContact CE1-CB 3.78Å; F287-F303 HydrophobicContact CE2-CB 4.12Å; F287-F303 HydrophobicContact CZ-CB 3.68Å; F287-F303 HydrophobicContact CZ-CG 4.49Å; F287-F303 PolarHBondContact N-O 3.3Å; F287-F303 PolarHBondContact O-N 3.36Å; S289-F303 WeakPolarHBondContact O-CE2 3.14Å; H291-F303 AromaticContact CE1-CD1 3.61Å; H291-F303 AromaticContact CE1-CD2 3.87Å; H291-F303 AromaticContact CE1-CE1 3.31Å; H291-F303 WeakPolarHBondContact CE1-CE1 3.46Å; H291-F303 AromaticContact CE1-CE2 3.62Å; H291-F303 AromaticContact CE1-CG 3.9Å; H291-F303 AromaticContact CE1-CZ 3.34Å; H291-F303 WeakPolarHBondContact CE1-CZ 3.03Å; H291-F303 AromaticContact NE2-CE1 3.72Å; H291-F303 AromaticContact NE2-CZ 3.97Å; H292-F303 HydrophobicContact CB-CZ 4.13Å; H292-F303 AromaticContact CE1-CE2 3.82Å; H292-F303 AromaticContact CE1-CZ 3.84Å; H292-F303 AromaticContact CG-CZ 3.68Å; H292-F303 AromaticContact ND1-CE2 3.59Å; H292-F303 AromaticContact ND1-CZ 3.37Å; H292-F303 WeakPolarHBondContact ND1-CZ 3.42Å; N301-F303 HydrophobicContact CB-CE2 3.88Å; N301-F303 HydrophobicContact CB-CZ 4.31Å; N301-F303 VanDerWaalsContact O-CD2 3.23Å; N301-F303 WeakPolarHBondContact O-CD2 3.43Å; N301-F303 WeakPolarHBondContact O-CE2 3.39Å; F303-L312 HydrophobicContact CB-CD1 3.97Å; F303-L312 HydrophobicContact CD1-CD1 4.27Å; F303-L312 HydrophobicContact CG-CD1 4.45Å; F303-E313 CarbonylContact C-O 3.58Å; F303-E313 WeakPolarHBondContact CA-O 3.32Å; F303-E313 WeakPolarHBondContact CB-O 3.36Å; F303-Q314 HydrophobicContact CD1-CB 3.76Å; F303-Q314 HydrophobicContact CD1-CG 4.13Å; F303-Q314 HydrophobicContact CE1-CB 3.47Å; F303-Q314 VanDerWaalsContact CE1-CB 3.47Å; F303-Q314 HydrophobicContact CE1-CG 3.59Å; F303-Q314 HydrophobicContact CZ-CB 4.23Å; F303-Q314 HydrophobicContact CZ-CG 3.83Å |
| 304 | I | 98.6 | Very high | 92.3 | Very high | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 144.6 | 171.3 | -161.7 | 166.6 | 0 | 0 | 0 | 109.7 | H279 R284 I285 I286 L312 E313 I315 W355 | H279-I304 HydrophobicContact CB-CD1 4.41Å; R284-I304 HydrophobicContact CB-CD1 3.91Å; R284-I304 HydrophobicContact CB-CG1 3.94Å; I285-I304 CarbonylContact O-C 3.51Å; I285-I304 VanDerWaalsContact O-CA 3.29Å; I285-I304 WeakPolarHBondContact O-CA 3.26Å; I285-I304 WeakPolarHBondContact O-CG1 3.28Å; I286-I304 HydrophobicContact CB-CG1 4.47Å; I304-L312 WeakPolarHBondContact O-CA 3.44Å; I304-E313 HydrophobicContact CG2-CB 3.9Å; I304-E313 HydrophobicContact CG2-CG 4.32Å; I304-E313 PolarHBondContact N-O 2.89Å; I304-E313 PolarHBondContact O-N 3.41Å; I304-I315 HydrophobicContact CB-CD1 4.21Å; I304-I315 HydrophobicContact CB-CG1 4.09Å; I304-I315 HydrophobicContact CG2-CD1 3.7Å; I304-I315 HydrophobicContact CG2-CG1 4.08Å; I304-W355 HydrophobicContact CD1-CH2 4.27Å; I304-W355 HydrophobicContact CD1-CZ2 4.32Å |
| 305 | V | 98.7 | Very high | 93.4 | Very high | 4 Ų | 4 | 51.9 Ų | 51.9 | 2% | 0.024 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 154 | 178.3 | 68.5 | 0 | 0 | 0 | 0 | 109.5 | I266 R284 I285 F287 G309 T310 L312 | I266-V305 HydrophobicContact CG2-CG1 3.73Å; R284-V305 CarbonylContact C-O 3.46Å; R284-V305 WeakPolarHBondContact CA-O 3.05Å; I285-V305 HydrophobicContact CB-CG1 4.26Å; I285-V305 PolarHBondContact N-O 3.45Å; I285-V305 PolarHBondContact O-N 3Å; F287-V305 HydrophobicContact CD1-CG1 4.25Å; F287-V305 HydrophobicContact CE1-CB 4.08Å; F287-V305 HydrophobicContact CE1-CG1 3.76Å; V305-G309 WeakPolarHBondContact CG2-O 3.15Å; V305-T310 VanDerWaalsContact CG2-O 3.22Å; V305-T310 WeakPolarHBondContact CG2-O 3.47Å; V305-L312 HydrophobicContact CB-CD1 4.28Å; V305-L312 HydrophobicContact CG2-CB 4.48Å |
| 306 | N | 98.6 | Very high | 94.5 | Very high | 53 Ų | 53 | 40.8 Ų | 40.8 | 28% | 0.283 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 155.5 | 169.7 | -63.6 | -34.3 | 0 | 0 | 0 | 110.6 | K283 R284 D308 G309 T310 | K283-N306 CarbonylContact O-C 3.57Å; K283-N306 WeakPolarHBondContact O-CA 3.46Å; R284-N306 WeakPolarHBondContact CG-OD1 3.14Å; N306-D308 WeakPolarHBondContact CB-OD1 3.37Å; N306-D308 PolarHBondContact O-N 2.96Å; N306-D308 VanDerWaalsContact O-N 3.08Å; N306-G309 PolarHBondContact O-N 2.97Å; N306-T310 VanDerWaalsContact CB-O 3.29Å; N306-T310 WeakPolarHBondContact CB-O 3.38Å; N306-T310 PolarHBondContact N-O 2.9Å; N306-T310 PolarHBondContact ND2-O 3.33Å; N306-T310 PolarHBondContact ND2-OG1 2.57Å |
| 307 | D | 95.8 | Very high | 95.3 | Very high | 48 Ų | 48 | 39.2 Ų | 39.2 | 26% | 0.257 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -4.4 | 178.4 | 77.3 | -40.6 | 0 | 0 | 0 | 113.9 | K220 I266 K283 I285 | K220-D307 IonicContact NZ-OD2 2.61Å; I266-D307 WeakPolarHBondContact CD1-O 3.27Å; K283-D307 PolarHBondContact O-N 2.6Å; I285-D307 HydrophobicContact CD1-CB 4.36Å |
| 308 | D | 96.3 | Very high | 95.8 | Very high | 107 Ų | 107 | 35.6 Ų | 35.6 | 57% | 0.572 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | 1.9 | 168.8 | 70.9 | 2.8 | 0 | 0 | 0 | 113.9 | N306 T310 | N306-D308 WeakPolarHBondContact CB-OD1 3.37Å; N306-D308 PolarHBondContact O-N 2.96Å; N306-D308 VanDerWaalsContact O-N 3.08Å; D308-T310 VanDerWaalsContact OD1-CB 3.28Å; D308-T310 WeakPolarHBondContact OD1-CB 3.25Å; D308-T310 WeakPolarHBondContact OD1-CG2 3.45Å; D308-T310 PolarHBondContact OD1-N 2.79Å; D308-T310 PolarHBondContact OD1-OG1 3.18Å; D308-T310 PolarHBondContact OD2-OG1 3.07Å |
| 309 | G | 97.6 | Very high | 96 | Very high | 30 Ų | 30 | 39.9 Ų | 39.9 | 31% | 0.309 | 22% | 0.217 | S | C | . | . | S | Bend | trans | 84.9 | -0.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115 | I266 V305 N306 | I266-G309 WeakPolarHBondContact O-CA 3.49Å; V305-G309 WeakPolarHBondContact CG2-O 3.15Å; N306-G309 PolarHBondContact O-N 2.97Å |
| 310 | T | 98.3 | Very high | 95.9 | Very high | 72 Ų | 72 | 42.2 Ų | 42.2 | 44% | 0.442 | 23% | 0.231 | S | C | . | . | trans | -88.9 | 167.3 | 178.3 | 70.7 | 0 | 0 | 0 | 0 | 112.7 | V305 N306 D308 L312 | V305-T310 VanDerWaalsContact CG2-O 3.22Å; V305-T310 WeakPolarHBondContact CG2-O 3.47Å; N306-T310 VanDerWaalsContact CB-O 3.29Å; N306-T310 WeakPolarHBondContact CB-O 3.38Å; N306-T310 PolarHBondContact N-O 2.9Å; N306-T310 PolarHBondContact ND2-O 3.33Å; N306-T310 PolarHBondContact ND2-OG1 2.57Å; D308-T310 VanDerWaalsContact OD1-CB 3.28Å; D308-T310 WeakPolarHBondContact OD1-CB 3.25Å; D308-T310 WeakPolarHBondContact OD1-CG2 3.45Å; D308-T310 PolarHBondContact OD1-N 2.79Å; D308-T310 PolarHBondContact OD1-OG1 3.18Å; D308-T310 PolarHBondContact OD2-OG1 3.07Å; T310-L312 PolarHBondContact O-N 3.12Å | ||
| 311 | G | 97.2 | Very high | 95.7 | Very high | 52 Ų | 52 | 42.8 Ų | 42.8 | 54% | 0.536 | 23% | 0.234 | S | C | . | . | trans | 71.1 | 29.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | E313 | G311-E313 PolarHBondContact O-N 2.94Š| ||
| 312 | L | 98.3 | Very high | 95.7 | Very high | 74 Ų | 74 | 42.8 Ų | 42.8 | 39% | 0.387 | 23% | 0.234 | S | C | . | . | trans | -54.9 | 126.7 | 177.1 | -178.9 | 66.6 | 0 | 0 | 0 | 111.7 | L269 F287 F303 I304 V305 T310 | L269-L312 HydrophobicContact CD1-CD2 4.27Å; L269-L312 HydrophobicContact CD2-CD2 3.94Å; F287-L312 HydrophobicContact CE1-CD1 3.96Å; F287-L312 HydrophobicContact CZ-CD1 3.65Å; F303-L312 HydrophobicContact CB-CD1 3.97Å; F303-L312 HydrophobicContact CD1-CD1 4.27Å; F303-L312 HydrophobicContact CG-CD1 4.45Å; I304-L312 WeakPolarHBondContact O-CA 3.44Å; V305-L312 HydrophobicContact CB-CD1 4.28Å; V305-L312 HydrophobicContact CG2-CB 4.48Å; T310-L312 PolarHBondContact O-N 3.12Å | ||
| 313 | E | 96.6 | Very high | 95.6 | Very high | 62 Ų | 62 | 42.8 Ų | 42.8 | 29% | 0.29 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 142.8 | -179.1 | 170.2 | 167.5 | -144.2 | 0 | 0 | 110.8 | K27 F303 I304 G311 I315 | K27-E313 WeakPolarHBondContact CE-OE1 3.47Å; K27-E313 IonicContact NZ-OE1 3.5Å; K27-E313 PolarHBondContact NZ-OE1 2.8Å; F303-E313 CarbonylContact C-O 3.58Å; F303-E313 WeakPolarHBondContact CA-O 3.32Å; F303-E313 WeakPolarHBondContact CB-O 3.36Å; I304-E313 HydrophobicContact CG2-CB 3.9Å; I304-E313 HydrophobicContact CG2-CG 4.32Å; I304-E313 PolarHBondContact N-O 2.89Å; I304-E313 PolarHBondContact O-N 3.41Å; G311-E313 PolarHBondContact O-N 2.94Å; E313-I315 HydrophobicContact CG-CD1 4.36Å |
| 314 | Q | 96.7 | Very high | 95.6 | Very high | 44 Ų | 44 | 43.7 Ų | 43.7 | 21% | 0.206 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 134.7 | 174.3 | -174.1 | 167.4 | -2.9 | 0 | 0 | 110.5 | F303 T316 Y317 | F303-Q314 HydrophobicContact CD1-CB 3.76Å; F303-Q314 HydrophobicContact CD1-CG 4.13Å; F303-Q314 HydrophobicContact CE1-CB 3.47Å; F303-Q314 VanDerWaalsContact CE1-CB 3.47Å; F303-Q314 HydrophobicContact CE1-CG 3.59Å; F303-Q314 HydrophobicContact CZ-CB 4.23Å; F303-Q314 HydrophobicContact CZ-CG 3.83Å; Q314-T316 WeakPolarHBondContact CG-O 3.32Å; Q314-T316 PolarHBondContact NE2-O 3.35Å; Q314-Y317 HydrophobicContact CB-CE1 4.16Å; Q314-Y317 HydrophobicContact CB-CE2 4.5Å; Q314-Y317 VanDerWaalsContact CD-CE1 3.44Å; Q314-Y317 HydrophobicContact CG-CD1 4.23Å; Q314-Y317 HydrophobicContact CG-CE1 3.8Å; Q314-Y317 HydrophobicContact CG-CE2 4.15Å; Q314-Y317 PolarHBondContact O-OH 3.08Å |
| 315 | I | 97.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | trans | -104.9 | -44.1 | -176.9 | -60.7 | -56.5 | 0 | 0 | 0 | 111.7 | N28 L29 I286 L302 I304 E313 L334 W355 | N28-I315 HydrophobicContact CB-CD1 4.36Å; L29-I315 HydrophobicContact CD1-CG2 4.46Å; L29-I315 HydrophobicContact CD2-CG2 4.15Å; L29-I315 HydrophobicContact CG-CG2 4.35Å; I286-I315 HydrophobicContact CD1-CG1 4.46Å; L302-I315 HydrophobicContact CB-CB 4.1Å; L302-I315 PolarHBondContact O-N 3.11Å; I304-I315 HydrophobicContact CB-CD1 4.21Å; I304-I315 HydrophobicContact CB-CG1 4.09Å; I304-I315 HydrophobicContact CG2-CD1 3.7Å; I304-I315 HydrophobicContact CG2-CG1 4.08Å; E313-I315 HydrophobicContact CG-CD1 4.36Å; I315-L334 HydrophobicContact CG2-CD2 4.47Å; I315-W355 HydrophobicContact CD1-CH2 3.92Å; I315-W355 HydrophobicContact CD1-CZ3 4.38Å; I315-W355 HydrophobicContact CG2-CZ3 4.1Å | ||
| 316 | T | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -112.9 | 154.4 | 177.6 | 66.5 | 0 | 0 | 0 | 0 | 112.5 | E26 L29 N301 L302 Q314 D322 | E26-T316 WeakPolarHBondContact OE1-CB 3Å; L29-T316 HydrophobicContact CD1-CG2 3.85Å; N301-T316 WeakPolarHBondContact CB-O 2.92Å; N301-T316 VanDerWaalsContact CG-O 3.27Å; N301-T316 PolarHBondContact OD1-O 2.99Å; N301-T316 VanDerWaalsContact OD1-O 3.08Å; N301-T316 PolarHBondContact OD1-OG1 3.14Å; L302-T316 HydrophobicContact CB-CG2 4.03Å; L302-T316 HydrophobicContact CD1-CG2 3.82Å; L302-T316 HydrophobicContact CG-CG2 3.98Å; L302-T316 PolarHBondContact N-OG1 3.28Å; L302-T316 PolarHBondContact O-N 2.86Å; Q314-T316 WeakPolarHBondContact CG-O 3.32Å; Q314-T316 PolarHBondContact NE2-O 3.35Å; T316-D322 WeakPolarHBondContact CB-OD2 3.13Å; T316-D322 WeakPolarHBondContact OG1-CB 3.43Å; T316-D322 PolarHBondContact OG1-OD2 3.2Å | ||
| 317 | Y | 93.4 | Very high | 95.6 | Very high | 79 Ų | 79 | 41.2 Ų | 41.2 | 31% | 0.31 | 23% | 0.225 | S | C | . | . | trans | -134.5 | 22.1 | -171 | -67.6 | -92 | 0 | 0 | 0 | 113 | Q25 E26 N301 Q314 | Q25-Y317 HydrophobicContact CB-CD1 3.96Å; Q25-Y317 HydrophobicContact CB-CD2 3.4Å; Q25-Y317 VanDerWaalsContact CB-CD2 3.4Å; Q25-Y317 HydrophobicContact CB-CE1 4.16Å; Q25-Y317 HydrophobicContact CB-CE2 3.63Å; Q25-Y317 HydrophobicContact CB-CG 3.57Å; Q25-Y317 HydrophobicContact CG-CD1 4.41Å; Q25-Y317 HydrophobicContact CG-CG 4.35Å; Q25-Y317 VanDerWaalsContact O-CE2 3.29Å; Q25-Y317 WeakPolarHBondContact O-CE2 3.4Å; E26-Y317 HydrophobicContact CG-CD2 4.07Å; N301-Y317 PolarHBondContact OD1-N 3.33Å; Q314-Y317 HydrophobicContact CB-CE1 4.16Å; Q314-Y317 HydrophobicContact CB-CE2 4.5Å; Q314-Y317 VanDerWaalsContact CD-CE1 3.44Å; Q314-Y317 HydrophobicContact CG-CD1 4.23Å; Q314-Y317 HydrophobicContact CG-CE1 3.8Å; Q314-Y317 HydrophobicContact CG-CE2 4.15Å; Q314-Y317 PolarHBondContact O-OH 3.08Å | ||
| 318 | D | 87.7 | Confident | 95.7 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.016 | 21% | 0.214 | C | C | . | . | trans | -66.9 | 152 | 176.2 | -171.6 | 84.1 | 0 | 0 | 0 | 110.6 | Y23 N301 T320 D322 R340 | Y23-D318 HydrophobicContact CE2-CB 3.72Å; Y23-D318 WeakPolarHBondContact CE2-OD1 3.41Å; Y23-D318 VanDerWaalsContact CZ-OD1 3.29Å; Y23-D318 PolarHBondContact OH-OD1 3Å; N301-D318 PolarHBondContact ND2-O 3.47Å; N301-D318 PolarHBondContact OD1-N 3.44Å; N301-D318 PolarHBondContact OD1-O 3.26Å; D318-T320 VanDerWaalsContact C-N 3.34Å; D318-T320 VanDerWaalsContact OD2-CA 3.26Å; D318-T320 WeakPolarHBondContact OD2-CA 3.29Å; D318-T320 WeakPolarHBondContact OD2-CB 3.09Å; D318-T320 PolarHBondContact OD2-N 3.34Å; D318-T320 PolarHBondContact OD2-OG1 3.44Å; D318-D322 WeakPolarHBondContact CB-OD2 3.46Å; D318-R340 WeakPolarHBondContact OD1-CB 3.25Å | ||
| 319 | K | 87.5 | Confident | 95.7 | Very high | 177 Ų | 177 | 37.2 Ų | 37.2 | 77% | 0.77 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -90.6 | 2 | -178.6 | -63.8 | -177.8 | -178.4 | 176 | 0 | 113.4 | T299 | T299-K319 PolarHBondContact OG1-O 3.46Š|
| 320 | T | 87.4 | Confident | 95.7 | Very high | 57 Ų | 57 | 40.2 Ų | 40.2 | 35% | 0.35 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -114.6 | -91.9 | -174.9 | 69.1 | 0 | 0 | 0 | 0 | 110.8 | T299 F300 D318 A339 | T299-T320 WeakPolarHBondContact CA-O 3.25Å; T299-T320 WeakPolarHBondContact CG2-O 3.1Å; F300-T320 PolarHBondContact N-O 2.9Å; D318-T320 VanDerWaalsContact C-N 3.34Å; D318-T320 VanDerWaalsContact OD2-CA 3.26Å; D318-T320 WeakPolarHBondContact OD2-CA 3.29Å; D318-T320 WeakPolarHBondContact OD2-CB 3.09Å; D318-T320 PolarHBondContact OD2-N 3.34Å; D318-T320 PolarHBondContact OD2-OG1 3.44Å; T320-A339 VanDerWaalsContact OG1-CB 3.27Å; T320-A339 WeakPolarHBondContact OG1-CB 3.32Å |
| 321 | F | 92.6 | Very high | 95.6 | Very high | 27 Ų | 27 | 37.4 Ų | 37.4 | 12% | 0.118 | 20% | 0.202 | C | C | . | . | B | Isolated β-bridge | trans | -156.3 | 125 | -172.6 | 179.3 | -86.1 | 0 | 0 | 0 | 109.8 | W274 F300 S323 S338 A339 M348 | W274-F321 AromaticContact CH2-CZ 3.93Å; W274-F321 HydrophobicContact CH2-CZ 3.93Å; W274-F321 AromaticContact CZ2-CE2 3.91Å; W274-F321 HydrophobicContact CZ2-CE2 3.91Å; W274-F321 AromaticContact CZ2-CZ 3.63Å; W274-F321 HydrophobicContact CZ2-CZ 3.63Å; F300-F321 HydrophobicContact CB-CD2 3.77Å; F300-F321 HydrophobicContact CB-CE2 3.99Å; F300-F321 HydrophobicContact CB-CG 4.43Å; F300-F321 AromaticContact CD2-CD2 3.65Å; F300-F321 HydrophobicContact CD2-CD2 3.65Å; F300-F321 AromaticContact CD2-CE2 3.64Å; F300-F321 HydrophobicContact CD2-CE2 3.64Å; F300-F321 HydrophobicContact CE2-CE2 4.37Å; F300-F321 HydrophobicContact CG-CD2 4.03Å; F300-F321 AromaticContact CG-CE2 3.93Å; F300-F321 HydrophobicContact CG-CE2 3.93Å; F300-F321 CarbonylContact O-C 3.54Å; F300-F321 WeakPolarHBondContact O-CA 3.48Å; F321-S323 VanDerWaalsContact CE1-CB 3.42Å; F321-S323 VanDerWaalsContact CZ-CB 3.43Å; F321-S338 CarbonylContact O-C 3.49Å; F321-S338 WeakPolarHBondContact O-CA 3.28Å; F321-S338 PolarHBondContact O-OG 2.02Å; F321-A339 HydrophobicContact CB-CB 4.06Å; F321-A339 PolarHBondContact O-N 3.04Å; F321-M348 HydrophobicContact CB-CE 3.94Å; F321-M348 HydrophobicContact CB-SD 4.33Å; F321-M348 HydrophobicContact CD1-CE 3.61Å; F321-M348 HydrophobicContact CD1-SD 3.48Å; F321-M348 WeakPolarHBondContact CD1-SD 3.36Å; F321-M348 HydrophobicContact CD2-CE 4.33Å; F321-M348 HydrophobicContact CE1-CE 4.14Å; F321-M348 HydrophobicContact CE1-SD 4.03Å; F321-M348 HydrophobicContact CG-CE 3.71Å; F321-M348 HydrophobicContact CG-SD 4.12Å |
| 322 | D | 96.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 129.2 | 167.4 | -60.9 | -32.7 | 0 | 0 | 0 | 110.3 | S288 F300 N301 L302 T316 D318 F336 I337 S338 R340 | S288-D322 PolarHBondContact OG-O 2.99Å; F300-D322 PolarHBondContact O-N 3.11Å; N301-D322 PolarHBondContact OD1-OD2 2.93Å; L302-D322 HydrophobicContact CD2-CB 4.48Å; L302-D322 HydrophobicContact CG-CB 4.05Å; T316-D322 WeakPolarHBondContact CB-OD2 3.13Å; T316-D322 WeakPolarHBondContact OG1-CB 3.43Å; T316-D322 PolarHBondContact OG1-OD2 3.2Å; D318-D322 WeakPolarHBondContact CB-OD2 3.46Å; D322-F336 HydrophobicContact CB-CD2 4.48Å; D322-I337 CarbonylContact C-O 3.49Å; D322-I337 VanDerWaalsContact CA-O 3.25Å; D322-I337 WeakPolarHBondContact CA-O 3.3Å; D322-S338 WeakPolarHBondContact OD1-CB 3.24Å; D322-S338 PolarHBondContact OD1-OG 3.24Å; D322-R340 IonicContact OD1-NE 3.79Å; D322-R340 IonicContact OD1-NH2 3.58Å; D322-R340 PolarHBondContact OD1-NH2 3.2Å; D322-R340 IonicContact OD2-NH2 3.9Å; D322-R340 PolarHBondContact OD2-NH2 3.42Å |
| 323 | S | 97.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | -175.2 | -179.7 | -164.7 | 0 | 0 | 0 | 0 | 112.9 | W274 S288 F321 I337 | W274-S323 WeakPolarHBondContact CH2-OG 3.29Å; W274-S323 WeakPolarHBondContact CZ2-OG 3.15Å; S288-S323 WeakPolarHBondContact CB-OG 3.17Å; S288-S323 WeakPolarHBondContact OG-CB 3.47Å; S288-S323 PolarHBondContact OG-OG 2.98Å; F321-S323 VanDerWaalsContact CE1-CB 3.42Å; F321-S323 VanDerWaalsContact CZ-CB 3.43Å; S323-I337 PolarHBondContact N-O 3.49Å; S323-I337 PolarHBondContact O-N 3.5Å |
| 324 | F | 98.4 | Very high | 95.7 | Very high | 23 Ų | 23 | 38.1 Ų | 38.1 | 10% | 0.101 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 49 | 54 | -179.7 | -53.1 | -81.3 | 0 | 0 | 0 | 113.8 | A42 E43 W274 A275 I337 | A42-F324 HydrophobicContact CB-CD2 4.24Å; A42-F324 HydrophobicContact CB-CE2 3.9Å; A42-F324 HydrophobicContact CB-CZ 4.21Å; E43-F324 HydrophobicContact CG-CD1 3.5Å; E43-F324 VanDerWaalsContact CG-CD1 3.5Å; E43-F324 HydrophobicContact CG-CE1 3.48Å; E43-F324 VanDerWaalsContact CG-CE1 3.48Å; E43-F324 HydrophobicContact CG-CG 4.26Å; E43-F324 HydrophobicContact CG-CZ 4.25Å; W274-F324 HydrophobicContact CH2-CE1 4.18Å; W274-F324 AromaticContact CH2-CE2 3.7Å; W274-F324 HydrophobicContact CH2-CE2 3.7Å; W274-F324 AromaticContact CH2-CZ 3.53Å; W274-F324 HydrophobicContact CH2-CZ 3.53Å; W274-F324 HydrophobicContact CZ3-CD1 4.43Å; W274-F324 AromaticContact CZ3-CE1 3.61Å; W274-F324 HydrophobicContact CZ3-CE1 3.61Å; W274-F324 HydrophobicContact CZ3-CE2 4.01Å; W274-F324 AromaticContact CZ3-CZ 3.37Å; W274-F324 HydrophobicContact CZ3-CZ 3.37Å; A275-F324 HydrophobicContact CB-CD1 4.07Å; F324-I337 HydrophobicContact CB-CB 4.41Å; F324-I337 HydrophobicContact CB-CG1 3.75Å; F324-I337 HydrophobicContact CD2-CB 4.04Å; F324-I337 HydrophobicContact CD2-CG1 3.89Å; F324-I337 HydrophobicContact CD2-CG2 4.5Å; F324-I337 HydrophobicContact CG-CG1 4.23Å |
| 325 | P | 98.8 | Very high | 95.8 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.013 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 142.8 | 176.9 | 31.7 | -35.9 | 0 | 0 | 0 | 111.6 | A275 Y277 I286 L302 L334 I335 | A275-P325 WeakPolarHBondContact O-CD 3.32Å; Y277-P325 VanDerWaalsContact CB-O 3.32Å; Y277-P325 WeakPolarHBondContact CB-O 3.29Å; I286-P325 HydrophobicContact CB-CG 4.4Å; I286-P325 HydrophobicContact CD1-CB 3.85Å; I286-P325 HydrophobicContact CD1-CG 4.43Å; I286-P325 HydrophobicContact CG1-CB 4.01Å; I286-P325 HydrophobicContact CG1-CG 4.03Å; I286-P325 HydrophobicContact CG2-CB 3.79Å; I286-P325 HydrophobicContact CG2-CG 3.78Å; L302-P325 HydrophobicContact CD1-CB 4.07Å; L302-P325 HydrophobicContact CD2-CB 4.08Å; L302-P325 HydrophobicContact CD2-CG 3.93Å; P325-L334 HydrophobicContact CB-CD1 4.08Å; P325-I335 CarbonylContact C-O 3.45Å; P325-I335 VanDerWaalsContact CA-O 3.32Å; P325-I335 WeakPolarHBondContact CA-O 3.44Å |
| 326 | M | 98.7 | Very high | 95.8 | Very high | 6 Ų | 6 | 36 Ų | 36 | 3% | 0.03 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 134.7 | 164.8 | -178.8 | -178.8 | 178.4 | 0 | 0 | 110.1 | Y45 F46 F96 Y277 I335 | Y45-M326 WeakPolarHBondContact CA-SD 3.5Å; Y45-M326 VanDerWaalsContact CB-SD 3.54Å; Y45-M326 HydrophobicContact CD1-CB 4.04Å; Y45-M326 HydrophobicContact CD1-CG 4.39Å; Y45-M326 HydrophobicContact CD1-SD 3.62Å; Y45-M326 HydrophobicContact CG-SD 3.97Å; F46-M326 HydrophobicContact CB-CE 3.98Å; F46-M326 HydrophobicContact CB-SD 4.3Å; F46-M326 HydrophobicContact CD2-CE 4.47Å; F46-M326 HydrophobicContact CD2-CG 4.15Å; F46-M326 HydrophobicContact CD2-SD 4.14Å; F46-M326 PolarHBondContact N-SD 2.89Å; F96-M326 HydrophobicContact CE2-CE 4.34Å; F96-M326 HydrophobicContact CZ-CE 4.27Å; Y277-M326 HydrophobicContact CD1-CG 4.17Å; Y277-M326 HydrophobicContact CD2-CB 4.43Å; Y277-M326 HydrophobicContact CD2-CG 4.05Å; Y277-M326 HydrophobicContact CE1-CG 3.81Å; Y277-M326 HydrophobicContact CE2-CE 4.11Å; Y277-M326 HydrophobicContact CE2-CG 3.69Å; Y277-M326 HydrophobicContact CE2-SD 4.25Å; Y277-M326 HydrophobicContact CG-CB 4.44Å; Y277-M326 HydrophobicContact CG-CG 4.3Å; Y277-M326 WeakPolarHBondContact OH-CE 3.3Å; M326-I335 HydrophobicContact CB-CG2 3.85Å; M326-I335 PolarHBondContact N-O 3.17Å; M326-I335 WeakPolarHBondContact O-CG2 3.32Å; M326-I335 PolarHBondContact O-N 2.93Å |
| 327 | F | 98.7 | Very high | 95.9 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.009 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 145.6 | 170.4 | -72.8 | -77.3 | 0 | 0 | 0 | 110.7 | Y277 H279 P280 I286 K333 L334 W355 | Y277-F327 HydrophobicContact CD1-CB 4.41Å; Y277-F327 HydrophobicContact CD1-CD2 4.09Å; Y277-F327 HydrophobicContact CE1-CB 4.09Å; H279-F327 HydrophobicContact CB-CD2 4.44Å; H279-F327 HydrophobicContact CB-CE2 4.02Å; H279-F327 AromaticContact CD2-CE1 3.92Å; H279-F327 AromaticContact CD2-CE2 3.72Å; H279-F327 AromaticContact CD2-CZ 3.5Å; H279-F327 VanDerWaalsContact CD2-CZ 3.5Å; H279-F327 WeakPolarHBondContact CD2-CZ 3.05Å; P280-F327 HydrophobicContact CG-CB 3.85Å; P280-F327 HydrophobicContact CG-CD1 4.5Å; P280-F327 HydrophobicContact CG-CG 4.11Å; I286-F327 HydrophobicContact CB-CE2 4.02Å; I286-F327 HydrophobicContact CD1-CE2 4.43Å; I286-F327 HydrophobicContact CD1-CZ 4.28Å; I286-F327 HydrophobicContact CG2-CD2 4.11Å; I286-F327 HydrophobicContact CG2-CE2 3.55Å; I286-F327 HydrophobicContact CG2-CZ 4.41Å; F327-K333 CarbonylContact C-O 3.38Å; F327-K333 WeakPolarHBondContact CA-O 3.43Å; F327-L334 HydrophobicContact CD1-CB 4.43Å; F327-L334 HydrophobicContact CD1-CD1 3.98Å; F327-L334 HydrophobicContact CD2-CD1 4.34Å; F327-L334 HydrophobicContact CE1-CB 4.33Å; F327-L334 HydrophobicContact CE1-CD1 3.86Å; F327-L334 HydrophobicContact CE2-CD1 4.24Å; F327-L334 HydrophobicContact CG-CD1 4.21Å; F327-L334 HydrophobicContact CZ-CD1 3.99Å; F327-W355 HydrophobicContact CD1-CD2 4.49Å; F327-W355 HydrophobicContact CD1-CG 4.47Å; F327-W355 HydrophobicContact CE1-CB 4.44Å; F327-W355 AromaticContact CE1-CD2 3.49Å; F327-W355 HydrophobicContact CE1-CD2 3.49Å; F327-W355 VanDerWaalsContact CE1-CD2 3.49Å; F327-W355 AromaticContact CE1-CE2 3.77Å; F327-W355 AromaticContact CE1-CE3 3.6Å; F327-W355 HydrophobicContact CE1-CE3 3.6Å; F327-W355 AromaticContact CE1-CG 3.87Å; F327-W355 HydrophobicContact CE1-CG 3.87Å; F327-W355 HydrophobicContact CE1-CH2 4.22Å; F327-W355 HydrophobicContact CE1-CZ2 4.14Å; F327-W355 AromaticContact CE1-CZ3 3.96Å; F327-W355 HydrophobicContact CE1-CZ3 3.96Å; F327-W355 HydrophobicContact CZ-CD2 4.18Å; F327-W355 HydrophobicContact CZ-CE3 4.11Å; F327-W355 AromaticContact CZ-CH2 3.93Å; F327-W355 HydrophobicContact CZ-CH2 3.93Å; F327-W355 HydrophobicContact CZ-CZ2 4.02Å; F327-W355 AromaticContact CZ-CZ3 3.97Å; F327-W355 HydrophobicContact CZ-CZ3 3.97Å |
| 328 | S | 98.1 | Very high | 96 | Very high | 4 Ų | 4 | 32.3 Ų | 32.3 | 3% | 0.028 | 16% | 0.162 | C | C | . | . | trans | -62.3 | 154 | 168.9 | 59 | 0 | 0 | 0 | 0 | 110.8 | D330 G331 K332 K333 | S328-D330 WeakPolarHBondContact CB-OD1 3.39Å; S328-D330 PolarHBondContact O-N 3.02Å; S328-D330 VanDerWaalsContact O-N 3.1Å; S328-D330 PolarHBondContact OG-OD1 2.53Å; S328-G331 WeakPolarHBondContact O-CA 3.33Å; S328-G331 PolarHBondContact O-N 3.13Å; S328-K332 PolarHBondContact OG-N 2.92Å; S328-K333 PolarHBondContact N-O 2.98Å; S328-K333 PolarHBondContact OG-N 3Å; S328-K333 PolarHBondContact OG-O 3.14Å | ||
| 329 | P | 96.1 | Very high | 96.2 | Very high | 67 Ų | 67 | 32.5 Ų | 32.5 | 44% | 0.435 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -29.3 | 179.8 | -27.6 | 34.4 | 0 | 0 | 0 | 114.5 | S47 F48 G331 | S47-P329 VanDerWaalsContact O-CG 3.24Å; S47-P329 WeakPolarHBondContact O-CG 3.43Å; F48-P329 WeakPolarHBondContact O-CB 3.21Å; F48-P329 WeakPolarHBondContact O-CG 3.39Å; P329-G331 VanDerWaalsContact C-N 3.34Å |
| 330 | D | 96.1 | Very high | 96.4 | Very high | 92 Ų | 92 | 24.2 Ų | 24.2 | 49% | 0.492 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -0.3 | 176.5 | 77 | -19.6 | 0 | 0 | 0 | 114 | S328 K332 | S328-D330 WeakPolarHBondContact CB-OD1 3.39Å; S328-D330 PolarHBondContact O-N 3.02Å; S328-D330 VanDerWaalsContact O-N 3.1Å; S328-D330 PolarHBondContact OG-OD1 2.53Å; D330-K332 PolarHBondContact O-N 3.35Å; D330-K332 PolarHBondContact OD1-N 3.38Å; D330-K332 VanDerWaalsContact OD1-N 3.14Å; D330-K332 WeakPolarHBondContact OD2-CD 3.32Å; D330-K332 WeakPolarHBondContact OD2-CE 3.32Å; D330-K332 WeakPolarHBondContact OD2-CG 3.48Å; D330-K332 IonicContact OD2-NZ 2.76Å; D330-K332 PolarHBondContact OD2-NZ 3.02Å |
| 331 | G | 96.6 | Very high | 96.3 | Very high | 14 Ų | 14 | 23.6 Ų | 23.6 | 14% | 0.144 | 12% | 0.122 | C | C | . | . | S | Bend | trans | 70.2 | 8.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | S328 P329 | S328-G331 WeakPolarHBondContact O-CA 3.33Å; S328-G331 PolarHBondContact O-N 3.13Å; P329-G331 VanDerWaalsContact C-N 3.34Å |
| 332 | K | 97.2 | Very high | 95.6 | Very high | 131 Ų | 131 | 23.2 Ų | 23.2 | 57% | 0.57 | 12% | 0.123 | S | C | * | . | S | Bend | trans | -90.2 | -13.4 | -176.1 | -61.6 | -169.3 | -160.2 | 111.5 | 0 | 114.1 | S328 D330 W355 | S328-K332 PolarHBondContact OG-N 2.92Å; D330-K332 PolarHBondContact O-N 3.35Å; D330-K332 PolarHBondContact OD1-N 3.38Å; D330-K332 VanDerWaalsContact OD1-N 3.14Å; D330-K332 WeakPolarHBondContact OD2-CD 3.32Å; D330-K332 WeakPolarHBondContact OD2-CE 3.32Å; D330-K332 WeakPolarHBondContact OD2-CG 3.48Å; D330-K332 IonicContact OD2-NZ 2.76Å; D330-K332 PolarHBondContact OD2-NZ 3.02Å; K332-W355 PolarHBondContact O-N 3.02Å |
| 333 | K | 98.4 | Very high | 94.1 | Very high | 72 Ų | 72 | 29.2 Ų | 29.2 | 31% | 0.313 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 151.1 | -177.1 | -59 | -174.4 | 179.5 | -70.2 | 0 | 111 | F46 F327 S328 L352 A353 D354 | F46-K333 HydrophobicContact CZ-CB 4.34Å; F327-K333 CarbonylContact C-O 3.38Å; F327-K333 WeakPolarHBondContact CA-O 3.43Å; S328-K333 PolarHBondContact N-O 2.98Å; S328-K333 PolarHBondContact OG-N 3Å; S328-K333 PolarHBondContact OG-O 3.14Å; K333-L352 HydrophobicContact CB-CD1 3.98Å; K333-L352 HydrophobicContact CD-CD1 4.02Å; K333-L352 HydrophobicContact CD-CD2 4.22Å; K333-L352 HydrophobicContact CD-CG 4.31Å; K333-A353 CarbonylContact C-O 3.5Å; K333-A353 WeakPolarHBondContact CA-O 3.5Å; K333-A353 WeakPolarHBondContact CB-O 3.25Å; K333-D354 IonicContact NZ-OD1 2.61Å; K333-D354 PolarHBondContact NZ-OD1 2.94Å |
| 334 | L | 98.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 126.5 | 166.9 | -177.3 | 72.4 | 0 | 0 | 0 | 108 | L29 I286 L302 I315 P325 F327 F336 A353 W355 | L29-L334 HydrophobicContact CD2-CB 4.44Å; L29-L334 HydrophobicContact CD2-CD2 3.73Å; I286-L334 HydrophobicContact CD1-CD1 3.85Å; I286-L334 HydrophobicContact CD1-CD2 3.79Å; L302-L334 HydrophobicContact CD1-CD2 4.17Å; I315-L334 HydrophobicContact CG2-CD2 4.47Å; P325-L334 HydrophobicContact CB-CD1 4.08Å; F327-L334 HydrophobicContact CD1-CB 4.43Å; F327-L334 HydrophobicContact CD1-CD1 3.98Å; F327-L334 HydrophobicContact CD2-CD1 4.34Å; F327-L334 HydrophobicContact CE1-CB 4.33Å; F327-L334 HydrophobicContact CE1-CD1 3.86Å; F327-L334 HydrophobicContact CE2-CD1 4.24Å; F327-L334 HydrophobicContact CG-CD1 4.21Å; F327-L334 HydrophobicContact CZ-CD1 3.99Å; L334-F336 HydrophobicContact CD2-CD1 4.31Å; L334-F336 HydrophobicContact CG-CD1 4.4Å; L334-A353 PolarHBondContact N-O 3.35Å; L334-A353 PolarHBondContact O-N 3.46Å; L334-W355 HydrophobicContact CB-CE3 4.4Å; L334-W355 HydrophobicContact CD2-CE3 4.47Å; L334-W355 HydrophobicContact CD2-CZ3 4.35Å |
| 335 | I | 98.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 143 | 165.4 | -159.3 | 170.7 | 0 | 0 | 0 | 109 | A44 F46 I53 P325 M326 I350 F351 L352 | A44-I335 HydrophobicContact CB-CD1 3.78Å; A44-I335 HydrophobicContact CB-CG1 4.27Å; A44-I335 WeakPolarHBondContact O-CG2 3.46Å; F46-I335 HydrophobicContact CD2-CG2 3.91Å; F46-I335 HydrophobicContact CE2-CB 3.66Å; F46-I335 HydrophobicContact CE2-CG2 3.42Å; F46-I335 VanDerWaalsContact CE2-CG2 3.42Å; F46-I335 HydrophobicContact CZ-CB 3.85Å; F46-I335 HydrophobicContact CZ-CG2 4.1Å; I53-I335 HydrophobicContact CB-CD1 4.47Å; I53-I335 HydrophobicContact CD1-CD1 3.74Å; I53-I335 HydrophobicContact CG2-CD1 3.65Å; P325-I335 CarbonylContact C-O 3.45Å; P325-I335 VanDerWaalsContact CA-O 3.32Å; P325-I335 WeakPolarHBondContact CA-O 3.44Å; M326-I335 HydrophobicContact CB-CG2 3.85Å; M326-I335 PolarHBondContact N-O 3.17Å; M326-I335 WeakPolarHBondContact O-CG2 3.32Å; M326-I335 PolarHBondContact O-N 2.93Å; I335-I350 HydrophobicContact CD1-CG2 3.54Å; I335-I350 HydrophobicContact CG1-CG2 3.67Å; I335-F351 CarbonylContact C-O 3.54Å; I335-F351 VanDerWaalsContact CA-O 3.31Å; I335-F351 WeakPolarHBondContact CA-O 3.48Å; I335-F351 VanDerWaalsContact CG1-O 3.28Å; I335-F351 WeakPolarHBondContact CG1-O 3.41Å; I335-L352 HydrophobicContact CB-CD1 4.21Å; I335-L352 HydrophobicContact CG1-CD1 4.45Å |
| 336 | F | 98.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 166 | 177.3 | 64.3 | -81.4 | 0 | 0 | 0 | 110.9 | L29 V32 L302 D322 L334 R340 F351 A353 | L29-F336 HydrophobicContact CD1-CE1 4.24Å; L29-F336 HydrophobicContact CD1-CZ 4.43Å; V32-F336 HydrophobicContact CG1-CZ 4.33Å; L302-F336 HydrophobicContact CD1-CB 3.71Å; L302-F336 HydrophobicContact CD1-CD1 4.49Å; L302-F336 HydrophobicContact CD1-CD2 4.21Å; L302-F336 HydrophobicContact CD1-CG 3.9Å; D322-F336 HydrophobicContact CB-CD2 4.48Å; L334-F336 HydrophobicContact CD2-CD1 4.31Å; L334-F336 HydrophobicContact CG-CD1 4.4Å; F336-R340 VanDerWaalsContact CE2-CZ 3.45Å; F336-F351 HydrophobicContact CD1-CB 4.18Å; F336-F351 HydrophobicContact CD2-CB 4.27Å; F336-F351 HydrophobicContact CE1-CB 3.68Å; F336-F351 HydrophobicContact CE2-CB 3.77Å; F336-F351 HydrophobicContact CE2-CD2 4.48Å; F336-F351 HydrophobicContact CE2-CG 4.23Å; F336-F351 HydrophobicContact CG-CB 4.46Å; F336-F351 HydrophobicContact CZ-CB 3.45Å; F336-F351 VanDerWaalsContact CZ-CB 3.45Å; F336-F351 HydrophobicContact CZ-CG 4.14Å; F336-F351 PolarHBondContact N-O 3.22Å; F336-F351 PolarHBondContact O-N 3.03Å; F336-A353 HydrophobicContact CE1-CB 4.48Å |
| 337 | I | 97.7 | Very high | 89.3 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 134 | 179.3 | -55.9 | -64.2 | 0 | 0 | 0 | 108.6 | N41 A44 D322 S323 F324 M348 N349 I350 | N41-I337 WeakPolarHBondContact O-CG2 2.94Å; A44-I337 HydrophobicContact CB-CD1 4.02Å; D322-I337 CarbonylContact C-O 3.49Å; D322-I337 VanDerWaalsContact CA-O 3.25Å; D322-I337 WeakPolarHBondContact CA-O 3.3Å; S323-I337 PolarHBondContact N-O 3.49Å; S323-I337 PolarHBondContact O-N 3.5Å; F324-I337 HydrophobicContact CB-CB 4.41Å; F324-I337 HydrophobicContact CB-CG1 3.75Å; F324-I337 HydrophobicContact CD2-CB 4.04Å; F324-I337 HydrophobicContact CD2-CG1 3.89Å; F324-I337 HydrophobicContact CD2-CG2 4.5Å; F324-I337 HydrophobicContact CG-CG1 4.23Å; I337-M348 HydrophobicContact CG2-CB 3.82Å; I337-N349 CarbonylContact C-O 3.46Å; I337-N349 WeakPolarHBondContact CA-O 3.25Å; I337-I350 HydrophobicContact CD1-CB 4.35Å; I337-I350 HydrophobicContact CD1-CG1 3.67Å |
| 338 | S | 96 | Very high | 89.1 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 145.4 | -179 | -175.4 | 0 | 0 | 0 | 0 | 113.5 | F321 D322 R340 N349 | F321-S338 CarbonylContact O-C 3.49Å; F321-S338 WeakPolarHBondContact O-CA 3.28Å; F321-S338 PolarHBondContact O-OG 2.02Å; D322-S338 WeakPolarHBondContact OD1-CB 3.24Å; D322-S338 PolarHBondContact OD1-OG 3.24Å; S338-R340 VanDerWaalsContact C-N 3.29Å; S338-R340 VanDerWaalsContact OG-CB 3.32Å; S338-R340 WeakPolarHBondContact OG-CB 3.49Å; S338-R340 VanDerWaalsContact OG-CG 3.24Å; S338-R340 WeakPolarHBondContact OG-CG 3.45Å; S338-R340 PolarHBondContact OG-N 3.25Å; S338-R340 PolarHBondContact OG-NE 2.76Å; S338-N349 PolarHBondContact N-O 2.93Å; S338-N349 PolarHBondContact O-N 3.28Å |
| 339 | A | 92.7 | Very high | 88.9 | Confident | 8 Ų | 8 | 48.1 Ų | 48.1 | 7% | 0.066 | 27% | 0.268 | C | S | . | . | trans | -87.3 | 7.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T320 F321 N341 S342 M348 | T320-A339 VanDerWaalsContact OG1-CB 3.27Å; T320-A339 WeakPolarHBondContact OG1-CB 3.32Å; F321-A339 HydrophobicContact CB-CB 4.06Å; F321-A339 PolarHBondContact O-N 3.04Å; A339-N341 PolarHBondContact O-N 3.4Å; A339-S342 WeakPolarHBondContact O-CB 3.32Å; A339-S342 PolarHBondContact O-N 3.31Å; A339-S342 PolarHBondContact O-OG 3.17Å; A339-M348 HydrophobicContact CB-CE 4.17Å; A339-M348 HydrophobicContact CB-SD 3.72Å | ||
| 340 | R | 90.8 | Very high | 89 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 1% | 0.011 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 140 | 169.3 | 76.7 | -172.4 | 72 | -162.5 | -11 | 109.4 | V21 E26 D318 D322 F336 S338 S342 F351 | V21-R340 PolarHBondContact O-NH1 2.7Å; E26-R340 IonicContact OE1-CZ 3.03Å; E26-R340 IonicContact OE1-NH1 2.64Å; E26-R340 PolarHBondContact OE1-NH1 2.89Å; E26-R340 VanDerWaalsContact OE1-NH1 3.17Å; E26-R340 IonicContact OE1-NH2 3.07Å; E26-R340 PolarHBondContact OE1-NH2 2.97Å; E26-R340 IonicContact OE2-NH1 2.83Å; E26-R340 PolarHBondContact OE2-NH1 3.27Å; D318-R340 WeakPolarHBondContact OD1-CB 3.25Å; D322-R340 IonicContact OD1-NE 3.79Å; D322-R340 IonicContact OD1-NH2 3.58Å; D322-R340 PolarHBondContact OD1-NH2 3.2Å; D322-R340 IonicContact OD2-NH2 3.9Å; D322-R340 PolarHBondContact OD2-NH2 3.42Å; F336-R340 VanDerWaalsContact CE2-CZ 3.45Å; S338-R340 VanDerWaalsContact C-N 3.29Å; S338-R340 VanDerWaalsContact OG-CB 3.32Å; S338-R340 WeakPolarHBondContact OG-CB 3.49Å; S338-R340 VanDerWaalsContact OG-CG 3.24Å; S338-R340 WeakPolarHBondContact OG-CG 3.45Å; S338-R340 PolarHBondContact OG-N 3.25Å; S338-R340 PolarHBondContact OG-NE 2.76Å; R340-S342 VanDerWaalsContact C-N 3.26Å; R340-S342 PolarHBondContact O-N 2.83Å; R340-F351 HydrophobicContact CB-CZ 4.45Å; R340-F351 VanDerWaalsContact CD-CE1 3.41Å; R340-F351 HydrophobicContact CG-CD1 4.23Å; R340-F351 HydrophobicContact CG-CD2 4.22Å; R340-F351 HydrophobicContact CG-CE1 3.48Å; R340-F351 VanDerWaalsContact CG-CE1 3.48Å; R340-F351 HydrophobicContact CG-CE2 3.48Å; R340-F351 VanDerWaalsContact CG-CE2 3.48Å; R340-F351 HydrophobicContact CG-CZ 3.06Å |
| 341 | N | 84.5 | Confident | 89 | Confident | 44 Ų | 44 | 40.5 Ų | 40.5 | 24% | 0.235 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 14.9 | -172.3 | -60.5 | -22.5 | 0 | 0 | 0 | 116.7 | G19 Q34 A339 T343 | G19-N341 WeakPolarHBondContact CA-OD1 3.47Å; G19-N341 PolarHBondContact N-OD1 3.37Å; G19-N341 VanDerWaalsContact N-OD1 3.1Å; G19-N341 PolarHBondContact O-OD1 3.48Å; G19-N341 VanDerWaalsContact O-OD1 3.14Å; Q34-N341 PolarHBondContact OE1-ND2 3.18Å; A339-N341 PolarHBondContact O-N 3.4Å; N341-T343 VanDerWaalsContact C-N 3.28Å; N341-T343 PolarHBondContact O-N 2.69Å |
| 342 | S | 78.8 | Confident | 89.1 | Confident | 19 Ų | 19 | 41 Ų | 41 | 13% | 0.133 | 22% | 0.223 | C | C | . | . | trans | -76.6 | -3.9 | -177.8 | 63.9 | 0 | 0 | 0 | 0 | 115.9 | A339 R340 G344 Q345 M347 | A339-S342 WeakPolarHBondContact O-CB 3.32Å; A339-S342 PolarHBondContact O-N 3.31Å; A339-S342 PolarHBondContact O-OG 3.17Å; R340-S342 VanDerWaalsContact C-N 3.26Å; R340-S342 PolarHBondContact O-N 2.83Å; S342-G344 VanDerWaalsContact C-N 3.32Å; S342-G344 PolarHBondContact O-N 3.02Å; S342-Q345 PolarHBondContact O-N 3.15Å; S342-M347 VanDerWaalsContact CB-O 3.29Å; S342-M347 WeakPolarHBondContact CB-O 3.04Å | ||
| 343 | T | 65.3 | Low | 89.1 | Confident | 125 Ų | 125 | 34.8 Ų | 34.8 | 77% | 0.767 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 18.2 | 63.5 | -179.7 | 61.7 | 0 | 0 | 0 | 0 | 115.7 | N341 Q345 | N341-T343 VanDerWaalsContact C-N 3.28Å; N341-T343 PolarHBondContact O-N 2.69Å; T343-Q345 VanDerWaalsContact C-N 3.31Å; T343-Q345 PolarHBondContact O-N 3.2Å |
| 344 | G | 60.8 | Low | 89 | Confident | 75 Ų | 75 | 33.4 Ų | 33.4 | 77% | 0.773 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.8 | 4.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | S342 | S342-G344 VanDerWaalsContact C-N 3.32Å; S342-G344 PolarHBondContact O-N 3.02Å |
| 345 | Q | 62.7 | Low | 89 | Confident | 129 Ų | 129 | 34.7 Ų | 34.7 | 60% | 0.603 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -97.8 | 8.3 | -177.1 | -62.5 | -167.7 | -0.8 | 0 | 0 | 114.3 | S342 T343 M347 | S342-Q345 PolarHBondContact O-N 3.15Å; T343-Q345 VanDerWaalsContact C-N 3.31Å; T343-Q345 PolarHBondContact O-N 3.2Å; Q345-M347 HydrophobicContact CB-CG 3.82Å; Q345-M347 HydrophobicContact CB-SD 3.83Å; Q345-M347 PolarHBondContact O-N 3.08Å; Q345-M347 PolarHBondContact OE1-SD 3.21Å |
| 346 | H | 79.5 | Confident | 88.8 | Confident | 166 Ų | 166 | 36.5 Ų | 36.5 | 77% | 0.769 | 21% | 0.208 | S | C | * | . | trans | 50.4 | 28.6 | -174.7 | -62.3 | -74.9 | 0 | 0 | 0 | 113.7 | ||||
| 347 | M | 88.9 | Confident | 88.4 | Confident | 20 Ų | 20 | 40.3 Ų | 40.3 | 10% | 0.099 | 23% | 0.226 | C | C | . | . | trans | -75.4 | 138.5 | 179.8 | -72.5 | 170.2 | 43.7 | 0 | 0 | 110.9 | F37 G39 S342 Q345 N349 | F37-M347 WeakPolarHBondContact O-CE 3.36Å; G39-M347 WeakPolarHBondContact O-CA 2.88Å; S342-M347 VanDerWaalsContact CB-O 3.29Å; S342-M347 WeakPolarHBondContact CB-O 3.04Å; Q345-M347 HydrophobicContact CB-CG 3.82Å; Q345-M347 HydrophobicContact CB-SD 3.83Å; Q345-M347 PolarHBondContact O-N 3.08Å; Q345-M347 PolarHBondContact OE1-SD 3.21Å; M347-N349 WeakPolarHBondContact CE-ND2 3.49Å | ||
| 348 | M | 94.3 | Very high | 87.5 | Confident | 44 Ų | 44 | 48 Ų | 48 | 22% | 0.217 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | -116.4 | 117.9 | 170.5 | -65.1 | -65 | -179.6 | 0 | 0 | 107.2 | G39 V40 N41 F321 I337 A339 | G39-M348 PolarHBondContact O-N 2.83Å; V40-M348 HydrophobicContact CG1-CB 4.05Å; V40-M348 HydrophobicContact CG1-CG 4Å; N41-M348 WeakPolarHBondContact CB-O 3.27Å; N41-M348 PolarHBondContact N-O 3.07Å; N41-M348 PolarHBondContact ND2-O 3.28Å; N41-M348 WeakPolarHBondContact O-CB 3.28Å; F321-M348 HydrophobicContact CB-CE 3.94Å; F321-M348 HydrophobicContact CB-SD 4.33Å; F321-M348 HydrophobicContact CD1-CE 3.61Å; F321-M348 HydrophobicContact CD1-SD 3.48Å; F321-M348 WeakPolarHBondContact CD1-SD 3.36Å; F321-M348 HydrophobicContact CD2-CE 4.33Å; F321-M348 HydrophobicContact CE1-CE 4.14Å; F321-M348 HydrophobicContact CE1-SD 4.03Å; F321-M348 HydrophobicContact CG-CE 3.71Å; F321-M348 HydrophobicContact CG-SD 4.12Å; I337-M348 HydrophobicContact CG2-CB 3.82Å; A339-M348 HydrophobicContact CB-CE 4.17Å; A339-M348 HydrophobicContact CB-SD 3.72Å |
| 349 | N | 95.2 | Very high | 86.5 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 155.7 | -174.8 | -66.9 | -61.8 | 0 | 0 | 0 | 111.8 | Q34 T36 F37 I337 S338 M347 F351 | Q34-N349 HydrophobicContact CG-CB 4.27Å; Q34-N349 PolarHBondContact NE2-ND2 2.85Å; T36-N349 WeakPolarHBondContact O-CB 3.43Å; T36-N349 PolarHBondContact O-OD1 3.3Å; T36-N349 VanDerWaalsContact OG1-CA 3.26Å; T36-N349 WeakPolarHBondContact OG1-CA 3.05Å; T36-N349 WeakPolarHBondContact OG1-CB 3.29Å; T36-N349 PolarHBondContact OG1-OD1 3.27Å; F37-N349 PolarHBondContact N-OD1 3.25Å; I337-N349 CarbonylContact C-O 3.46Å; I337-N349 WeakPolarHBondContact CA-O 3.25Å; S338-N349 PolarHBondContact N-O 2.93Å; S338-N349 PolarHBondContact O-N 3.28Å; M347-N349 WeakPolarHBondContact CE-ND2 3.49Å; N349-F351 HydrophobicContact CB-CD2 4.45Å; N349-F351 HydrophobicContact CB-CE2 3.76Å; N349-F351 HydrophobicContact CB-CZ 4.46Å; N349-F351 WeakPolarHBondContact O-CD2 3.32Å |
| 350 | I | 97.2 | Very high | 85.4 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 130.4 | 177.2 | -54.6 | 176.1 | 0 | 0 | 0 | 108.8 | L35 T36 N41 A44 I53 F55 I335 I337 | L35-I350 HydrophobicContact CB-CB 4.23Å; L35-I350 HydrophobicContact CB-CG2 4.27Å; L35-I350 HydrophobicContact CD1-CG2 4.01Å; L35-I350 HydrophobicContact CG-CG2 4.45Å; L35-I350 PolarHBondContact N-O 3.46Å; T36-I350 HydrophobicContact CG2-CB 4.18Å; T36-I350 HydrophobicContact CG2-CD1 3.73Å; T36-I350 HydrophobicContact CG2-CG1 3.95Å; T36-I350 PolarHBondContact OG1-N 3.46Å; N41-I350 HydrophobicContact CB-CD1 4.29Å; N41-I350 HydrophobicContact CB-CG1 3.95Å; A44-I350 HydrophobicContact CB-CD1 3.9Å; A44-I350 HydrophobicContact CB-CG1 4.09Å; A44-I350 HydrophobicContact CB-CG2 3.89Å; I53-I350 HydrophobicContact CD1-CD1 3.99Å; I53-I350 HydrophobicContact CD1-CG2 4.13Å; F55-I350 HydrophobicContact CB-CD1 3.91Å; F55-I350 HydrophobicContact CD1-CD1 3.77Å; F55-I350 HydrophobicContact CD2-CD1 3.62Å; F55-I350 HydrophobicContact CE1-CD1 4.06Å; F55-I350 HydrophobicContact CE2-CD1 3.91Å; F55-I350 HydrophobicContact CG-CD1 3.5Å; F55-I350 HydrophobicContact CZ-CD1 4.09Å; I335-I350 HydrophobicContact CD1-CG2 3.54Å; I335-I350 HydrophobicContact CG1-CG2 3.67Å; I337-I350 HydrophobicContact CD1-CB 4.35Å; I337-I350 HydrophobicContact CD1-CG1 3.67Å |
| 351 | F | 97.2 | Very high | 84 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 140.7 | 174 | -72.5 | -97.3 | 0 | 0 | 0 | 110.3 | V21 V32 T33 Q34 I335 F336 R340 N349 | V21-F351 HydrophobicContact CG1-CD1 4.14Å; V21-F351 HydrophobicContact CG1-CE1 3.98Å; V32-F351 HydrophobicContact CG1-CD1 4.11Å; T33-F351 CarbonylContact O-C 3.55Å; T33-F351 VanDerWaalsContact O-CA 3.29Å; T33-F351 WeakPolarHBondContact O-CA 3.44Å; Q34-F351 HydrophobicContact CB-CD1 3.94Å; Q34-F351 HydrophobicContact CB-CE1 3.42Å; Q34-F351 VanDerWaalsContact CB-CE1 3.42Å; Q34-F351 HydrophobicContact CB-CZ 3.83Å; Q34-F351 VanDerWaalsContact CD-CZ 3.47Å; Q34-F351 HydrophobicContact CG-CD1 4.36Å; Q34-F351 HydrophobicContact CG-CE1 3.69Å; Q34-F351 HydrophobicContact CG-CE2 4.08Å; Q34-F351 HydrophobicContact CG-CZ 3.5Å; Q34-F351 VanDerWaalsContact OE1-CZ 3.3Å; I335-F351 CarbonylContact C-O 3.54Å; I335-F351 VanDerWaalsContact CA-O 3.31Å; I335-F351 WeakPolarHBondContact CA-O 3.48Å; I335-F351 VanDerWaalsContact CG1-O 3.28Å; I335-F351 WeakPolarHBondContact CG1-O 3.41Å; F336-F351 HydrophobicContact CD1-CB 4.18Å; F336-F351 HydrophobicContact CD2-CB 4.27Å; F336-F351 HydrophobicContact CE1-CB 3.68Å; F336-F351 HydrophobicContact CE2-CB 3.77Å; F336-F351 HydrophobicContact CE2-CD2 4.48Å; F336-F351 HydrophobicContact CE2-CG 4.23Å; F336-F351 HydrophobicContact CG-CB 4.46Å; F336-F351 HydrophobicContact CZ-CB 3.45Å; F336-F351 VanDerWaalsContact CZ-CB 3.45Å; F336-F351 HydrophobicContact CZ-CG 4.14Å; F336-F351 PolarHBondContact N-O 3.22Å; F336-F351 PolarHBondContact O-N 3.03Å; R340-F351 HydrophobicContact CB-CZ 4.45Å; R340-F351 VanDerWaalsContact CD-CE1 3.41Å; R340-F351 HydrophobicContact CG-CD1 4.23Å; R340-F351 HydrophobicContact CG-CD2 4.22Å; R340-F351 HydrophobicContact CG-CE1 3.48Å; R340-F351 VanDerWaalsContact CG-CE1 3.48Å; R340-F351 HydrophobicContact CG-CE2 3.48Å; R340-F351 VanDerWaalsContact CG-CE2 3.48Å; R340-F351 HydrophobicContact CG-CZ 3.06Å; N349-F351 HydrophobicContact CB-CD2 4.45Å; N349-F351 HydrophobicContact CB-CE2 3.76Å; N349-F351 HydrophobicContact CB-CZ 4.46Å; N349-F351 WeakPolarHBondContact O-CD2 3.32Å |
| 352 | L | 97.5 | Very high | 82.8 | Confident | 24 Ų | 24 | 59.8 Ų | 59.8 | 13% | 0.126 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 130.3 | 176.1 | -177.2 | 67 | 0 | 0 | 0 | 108.8 | V32 T33 L35 F46 K333 I335 | V32-L352 WeakPolarHBondContact CA-O 2.93Å; T33-L352 PolarHBondContact N-O 3.33Å; T33-L352 PolarHBondContact O-N 3.18Å; L35-L352 HydrophobicContact CD1-CB 3.97Å; L35-L352 HydrophobicContact CD1-CD2 4.47Å; L35-L352 HydrophobicContact CD2-CB 4.41Å; L35-L352 HydrophobicContact CG-CB 4.2Å; F46-L352 HydrophobicContact CE1-CD1 4.27Å; F46-L352 HydrophobicContact CZ-CD1 3.69Å; K333-L352 HydrophobicContact CB-CD1 3.98Å; K333-L352 HydrophobicContact CD-CD1 4.02Å; K333-L352 HydrophobicContact CD-CD2 4.22Å; K333-L352 HydrophobicContact CD-CG 4.31Å; I335-L352 HydrophobicContact CB-CD1 4.21Å; I335-L352 HydrophobicContact CG1-CD1 4.45Å |
| 353 | A | 97.6 | Very high | 81.7 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 150.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | L29 V32 K333 L334 F336 | L29-A353 HydrophobicContact CB-CB 4.01Å; L29-A353 HydrophobicContact CD2-CB 4.05Å; L29-A353 HydrophobicContact CG-CB 4.45Å; V32-A353 HydrophobicContact CB-CB 4.5Å; V32-A353 HydrophobicContact CG2-CB 3.97Å; K333-A353 CarbonylContact C-O 3.5Å; K333-A353 WeakPolarHBondContact CA-O 3.5Å; K333-A353 WeakPolarHBondContact CB-O 3.25Å; L334-A353 PolarHBondContact N-O 3.35Å; L334-A353 PolarHBondContact O-N 3.46Å; F336-A353 HydrophobicContact CE1-CB 4.48Å |
| 354 | D | 97.2 | Very high | 80.8 | Confident | 44 Ų | 44 | 68.2 Ų | 68.2 | 24% | 0.235 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 129.9 | 162.2 | -67.6 | -27.1 | 0 | 0 | 0 | 108.6 | A30 N31 K333 | A30-D354 HydrophobicContact CB-CB 4.17Å; A30-D354 PolarHBondContact N-O 2.95Å; A30-D354 PolarHBondContact O-N 3.37Å; N31-D354 PolarHBondContact ND2-OD2 3.46Å; K333-D354 IonicContact NZ-OD1 2.61Å; K333-D354 PolarHBondContact NZ-OD1 2.94Å |
| 355 | W | 97.5 | Very high | 80.2 | Confident | 26 Ų | 26 | 70.6 Ų | 70.6 | 10% | 0.098 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 130.5 | 176.6 | -179.3 | -109 | 0 | 0 | 0 | 110.5 | N28 L29 H279 I304 I315 F327 K332 L334 E357 | N28-W355 HydrophobicContact CB-CE3 4.05Å; N28-W355 HydrophobicContact CB-CH2 3.82Å; N28-W355 HydrophobicContact CB-CZ2 4.37Å; N28-W355 HydrophobicContact CB-CZ3 3.64Å; L29-W355 HydrophobicContact CD2-CE3 4.11Å; L29-W355 HydrophobicContact CD2-CZ3 4.26Å; H279-W355 AromaticContact NE2-CE2 3.94Å; H279-W355 AromaticContact NE2-NE1 3.38Å; H279-W355 PolarHBondContact NE2-NE1 2.89Å; I304-W355 HydrophobicContact CD1-CH2 4.27Å; I304-W355 HydrophobicContact CD1-CZ2 4.32Å; I315-W355 HydrophobicContact CD1-CH2 3.92Å; I315-W355 HydrophobicContact CD1-CZ3 4.38Å; I315-W355 HydrophobicContact CG2-CZ3 4.1Å; F327-W355 HydrophobicContact CD1-CD2 4.49Å; F327-W355 HydrophobicContact CD1-CG 4.47Å; F327-W355 HydrophobicContact CE1-CB 4.44Å; F327-W355 AromaticContact CE1-CD2 3.49Å; F327-W355 HydrophobicContact CE1-CD2 3.49Å; F327-W355 VanDerWaalsContact CE1-CD2 3.49Å; F327-W355 AromaticContact CE1-CE2 3.77Å; F327-W355 AromaticContact CE1-CE3 3.6Å; F327-W355 HydrophobicContact CE1-CE3 3.6Å; F327-W355 AromaticContact CE1-CG 3.87Å; F327-W355 HydrophobicContact CE1-CG 3.87Å; F327-W355 HydrophobicContact CE1-CH2 4.22Å; F327-W355 HydrophobicContact CE1-CZ2 4.14Å; F327-W355 AromaticContact CE1-CZ3 3.96Å; F327-W355 HydrophobicContact CE1-CZ3 3.96Å; F327-W355 HydrophobicContact CZ-CD2 4.18Å; F327-W355 HydrophobicContact CZ-CE3 4.11Å; F327-W355 AromaticContact CZ-CH2 3.93Å; F327-W355 HydrophobicContact CZ-CH2 3.93Å; F327-W355 HydrophobicContact CZ-CZ2 4.02Å; F327-W355 AromaticContact CZ-CZ3 3.97Å; F327-W355 HydrophobicContact CZ-CZ3 3.97Å; K332-W355 PolarHBondContact O-N 3.02Å; L334-W355 HydrophobicContact CB-CE3 4.4Å; L334-W355 HydrophobicContact CD2-CE3 4.47Å; L334-W355 HydrophobicContact CD2-CZ3 4.35Å; W355-E357 PolarHBondContact NE1-OE2 2.84Å |
| 356 | V | 94.8 | Very high | 79.2 | Confident | 38 Ų | 38 | 70.6 Ų | 70.6 | 23% | 0.23 | 38% | 0.377 | C | S | . | . | trans | -125.8 | 109.3 | 178.1 | -169.9 | 0 | 0 | 0 | 0 | 109.8 | N28 A30 G359 V360 | N28-V356 WeakPolarHBondContact CA-O 3.28Å; N28-V356 PolarHBondContact ND2-O 3.25Å; N28-V356 PolarHBondContact O-N 3.37Å; A30-V356 HydrophobicContact CB-CG2 3.73Å; V356-G359 VanDerWaalsContact CG1-C 3.46Å; V356-G359 VanDerWaalsContact CG1-O 3.25Å; V356-G359 WeakPolarHBondContact CG1-O 3.42Å; V356-V360 HydrophobicContact CG2-CG2 4.29Å | ||
| 357 | E | 89.5 | Confident | 77.8 | Confident | 80 Ų | 80 | 70 Ų | 70 | 37% | 0.374 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -47.2 | -174.9 | -167.8 | 58.6 | -133.7 | 0 | 0 | 113 | N28 H279 R284 W355 | N28-E357 PolarHBondContact ND2-O 2.97Å; H279-E357 IonicContact CE1-OE2 3.04Å; H279-E357 IonicContact NE2-OE2 3.38Å; R284-E357 IonicContact CZ-OE1 3.39Å; R284-E357 IonicContact CZ-OE2 2.95Å; R284-E357 IonicContact NH1-OE1 2.67Å; R284-E357 PolarHBondContact NH1-OE1 2.81Å; R284-E357 IonicContact NH1-OE2 3.89Å; R284-E357 VanDerWaalsContact NH2-CD 3.27Å; R284-E357 IonicContact NH2-OE1 2.96Å; R284-E357 PolarHBondContact NH2-OE1 2.87Å; R284-E357 IonicContact NH2-OE2 3.03Å; R284-E357 PolarHBondContact NH2-OE2 2.89Å; W355-E357 PolarHBondContact NE1-OE2 2.84Å |
| 358 | N | 80.1 | Confident | 75.8 | Confident | 163 Ų | 163 | 71.1 Ų | 71.1 | 87% | 0.872 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | 22.1 | -173.5 | -65.2 | -52.9 | 0 | 0 | 0 | 113.6 | ||
| 359 | G | 75.4 | Confident | 73.5 | Confident | 14 Ų | 14 | 74.9 Ų | 74.9 | 14% | 0.144 | 41% | 0.409 | C | S | . | . | trans | 82.1 | 148.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114 | K27 V356 | K27-G359 CarbonylContact O-C 3.55Å; K27-G359 WeakPolarHBondContact O-CA 3.44Å; V356-G359 VanDerWaalsContact CG1-C 3.46Å; V356-G359 VanDerWaalsContact CG1-O 3.25Å; V356-G359 WeakPolarHBondContact CG1-O 3.42Å | ||
| 360 | V | 68.8 | Low | 71 | Confident | 50 Ų | 50 | 79.7 Ų | 79.7 | 30% | 0.303 | 44% | 0.435 | S | S | . | . | trans | -61.6 | 126.8 | 168.9 | -176.6 | 0 | 0 | 0 | 0 | 108.4 | K27 L29 A30 V356 T362 | K27-V360 WeakPolarHBondContact O-CG2 3.25Å; K27-V360 PolarHBondContact O-N 3.23Å; L29-V360 WeakPolarHBondContact O-CG2 3.23Å; A30-V360 HydrophobicContact CB-CG2 3.9Å; V356-V360 HydrophobicContact CG2-CG2 4.29Å; V360-T362 PolarHBondContact O-N 2.96Å | ||
| 361 | P | 61.4 | Low | 68.5 | Low | 122 Ų | 122 | 85.8 Ų | 85.8 | 79% | 0.792 | 47% | 0.465 | S | S | * | . | trans | -56.6 | 107 | 175.6 | -23.8 | 33.1 | 0 | 0 | 0 | 110 | A363 | P361-A363 PolarHBondContact O-N 3.15Š| ||
| 362 | T | 59.4 | Low | 66.1 | Low | 117 Ų | 117 | 94 Ų | 94 | 72% | 0.718 | 50% | 0.497 | S | S | * | . | trans | -73.9 | 123.1 | 172.3 | 49.6 | 0 | 0 | 0 | 0 | 107.6 | V360 R364 | V360-T362 PolarHBondContact O-N 2.96Å; T362-R364 VanDerWaalsContact C-N 3.32Å; T362-R364 PolarHBondContact O-N 2.81Å | ||
| 363 | A | 55.5 | Low | 63.8 | Low | 91 Ų | 91 | 97.4 Ų | 97.4 | 75% | 0.752 | 51% | 0.514 | S | S | * | . | trans | -60.8 | 103.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 106.3 | P361 I365 | P361-A363 PolarHBondContact O-N 3.15Å; A363-I365 VanDerWaalsContact C-N 3.28Å; A363-I365 PolarHBondContact O-N 3.02Å | ||
| 364 | R | 47.1 | Very low | 61.5 | Low | 230 Ų | 230 | 101.1 Ų | 101.1 | 87% | 0.868 | 54% | 0.537 | S | S | * | . | trans | -59 | 100.8 | 167.4 | -79.7 | -170.8 | 179.2 | -170.3 | 0.8 | 106 | T362 N366 | T362-R364 VanDerWaalsContact C-N 3.32Å; T362-R364 PolarHBondContact O-N 2.81Å; R364-N366 PolarHBondContact O-N 3.3Å | ||
| 365 | I | 47 | Very low | 59.3 | Low | 125 Ų | 125 | 103.3 Ų | 103.3 | 64% | 0.641 | 55% | 0.548 | S | S | * | . | trans | -61.4 | 98.4 | 163.1 | -62 | 172.4 | 0 | 0 | 0 | 104 | A363 F367 | A363-I365 VanDerWaalsContact C-N 3.28Å; A363-I365 PolarHBondContact O-N 3.02Å; I365-F367 PolarHBondContact O-N 3.44Å | ||
| 366 | N | 42.1 | Very low | 57 | Low | 128 Ų | 128 | 106.2 Ų | 106.2 | 68% | 0.684 | 57% | 0.569 | S | S | * | * | trans | -69.6 | 92.4 | 178.3 | -152.9 | -2.1 | 0 | 0 | 0 | 105.4 | R364 G368 L369 | R364-N366 PolarHBondContact O-N 3.3Å; N366-G368 PolarHBondContact O-N 2.89Å; N366-L369 PolarHBondContact O-N 3.2Å | ||
| 367 | F | 49.8 | Very low | 54.8 | Low | 155 Ų | 155 | 109 Ų | 109 | 68% | 0.68 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -52.8 | -22.6 | -179.4 | -93.5 | -87.9 | 0 | 0 | 0 | 112.1 | I365 L369 L370 M371 | I365-F367 PolarHBondContact O-N 3.44Å; F367-L369 VanDerWaalsContact C-N 3.29Å; F367-L369 PolarHBondContact O-N 3.13Å; F367-L370 PolarHBondContact O-N 2.92Å; F367-M371 PolarHBondContact O-N 2.04Å |
| 368 | G | 48 | Very low | 52.8 | Low | 42 Ų | 42 | 112.5 Ų | 112.5 | 43% | 0.433 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -57.6 | -34.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | N366 Y372 | N366-G368 PolarHBondContact O-N 2.89Å; G368-Y372 PolarHBondContact O-N 3.28Å |
| 369 | L | 46.1 | Very low | 50.9 | Low | 123 Ų | 123 | 112.5 Ų | 112.5 | 64% | 0.644 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -77.3 | -34.9 | 178.3 | -155.9 | 77.1 | 0 | 0 | 0 | 111.8 | N366 F367 Y372 I373 | N366-L369 PolarHBondContact O-N 3.2Å; F367-L369 VanDerWaalsContact C-N 3.29Å; F367-L369 PolarHBondContact O-N 3.13Å; L369-Y372 PolarHBondContact O-N 2.97Å; L369-I373 WeakPolarHBondContact O-CG1 3.36Å; L369-I373 PolarHBondContact O-N 3.41Å; L369-I373 VanDerWaalsContact O-N 3.11Å |
| 370 | L | 41.9 | Very low | 49.1 | Very low | 102 Ų | 102 | 121.5 Ų | 121.5 | 53% | 0.534 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -68.7 | -38.9 | 176.7 | -149.1 | 79 | 0 | 0 | 0 | 111.1 | F367 Y372 I373 V374 | F367-L370 PolarHBondContact O-N 2.92Å; L370-Y372 VanDerWaalsContact C-N 3.32Å; L370-Y372 PolarHBondContact O-N 3.2Å; L370-I373 PolarHBondContact O-N 3.49Å; L370-V374 WeakPolarHBondContact O-CG2 3.4Å; L370-V374 PolarHBondContact O-N 2.92Å; L370-V374 VanDerWaalsContact O-N 3.08Å |
| 371 | M | 44.1 | Very low | 47.7 | Very low | 127 Ų | 127 | 123.5 Ų | 123.5 | 63% | 0.626 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -63.9 | -36.6 | 172.7 | -116.6 | -179.3 | 83.4 | 0 | 0 | 112.3 | F367 I373 V374 L375 | F367-M371 PolarHBondContact O-N 2.04Å; M371-I373 VanDerWaalsContact C-N 3.35Å; M371-I373 PolarHBondContact O-N 3.1Å; M371-V374 PolarHBondContact O-N 3.24Å; M371-L375 HydrophobicContact CE-CD1 3.94Å; M371-L375 WeakPolarHBondContact O-CB 3.42Å; M371-L375 PolarHBondContact O-N 2.99Å |
| 372 | Y | 46.7 | Very low | 46.5 | Very low | 172 Ų | 172 | 126.4 Ų | 126.4 | 68% | 0.675 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -64.8 | -37.5 | 176.1 | -111.1 | -87.3 | 0 | 0 | 0 | 112.8 | G368 L369 L370 T376 | G368-Y372 PolarHBondContact O-N 3.28Å; L369-Y372 PolarHBondContact O-N 2.97Å; L370-Y372 VanDerWaalsContact C-N 3.32Å; L370-Y372 PolarHBondContact O-N 3.2Å; Y372-T376 PolarHBondContact O-N 2.78Å; Y372-T376 VanDerWaalsContact O-N 3.09Å; Y372-T376 PolarHBondContact O-OG1 3.22Å |
| 373 | I | 50.1 | Low | 45.5 | Very low | 96 Ų | 96 | 133.4 Ų | 133.4 | 49% | 0.492 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -70.9 | -42 | 177.8 | -64.6 | 168.1 | 0 | 0 | 0 | 110.5 | L369 L370 M371 T376 T377 | L369-I373 WeakPolarHBondContact O-CG1 3.36Å; L369-I373 PolarHBondContact O-N 3.41Å; L369-I373 VanDerWaalsContact O-N 3.11Å; L370-I373 PolarHBondContact O-N 3.49Å; M371-I373 VanDerWaalsContact C-N 3.35Å; M371-I373 PolarHBondContact O-N 3.1Å; I373-T376 PolarHBondContact O-N 3.09Å; I373-T376 PolarHBondContact O-OG1 3.03Å; I373-T377 PolarHBondContact O-N 2.92Å; I373-T377 PolarHBondContact O-OG1 3.06Å |
| 374 | V | 49.5 | Very low | 45 | Very low | 78 Ų | 78 | 135.6 Ų | 135.6 | 47% | 0.473 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -66.8 | -41.6 | 179 | 176.8 | 0 | 0 | 0 | 0 | 111.3 | L370 M371 T377 | L370-V374 WeakPolarHBondContact O-CG2 3.4Å; L370-V374 PolarHBondContact O-N 2.92Å; L370-V374 VanDerWaalsContact O-N 3.08Å; M371-V374 PolarHBondContact O-N 3.24Å; V374-T377 PolarHBondContact O-N 3.33Å; V374-T377 PolarHBondContact O-OG1 3.12Å; V374-T377 VanDerWaalsContact O-OG1 3.13Å |
| 375 | L | 49.6 | Very low | 44.9 | Very low | 91 Ų | 91 | 130.6 Ų | 130.6 | 48% | 0.476 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -68.8 | -36 | 178.5 | -85.3 | 155.4 | 0 | 0 | 0 | 113.1 | M371 T377 M378 F379 | M371-L375 HydrophobicContact CE-CD1 3.94Å; M371-L375 WeakPolarHBondContact O-CB 3.42Å; M371-L375 PolarHBondContact O-N 2.99Å; L375-T377 VanDerWaalsContact C-N 3.34Å; L375-T377 PolarHBondContact O-N 3.46Å; L375-M378 PolarHBondContact O-N 3.19Å; L375-F379 HydrophobicContact CD2-CE2 4.4Å; L375-F379 WeakPolarHBondContact O-CD2 3.32Å |
| 376 | T | 49.8 | Very low | 44.8 | Very low | 87 Ų | 87 | 130.9 Ų | 130.9 | 53% | 0.534 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -74.4 | -23.9 | -179.9 | 44.3 | 0 | 0 | 0 | 0 | 113.4 | Y372 I373 | Y372-T376 PolarHBondContact O-N 2.78Å; Y372-T376 VanDerWaalsContact O-N 3.09Å; Y372-T376 PolarHBondContact O-OG1 3.22Å; I373-T376 PolarHBondContact O-N 3.09Å; I373-T376 PolarHBondContact O-OG1 3.03Å |
| 377 | T | 48.3 | Very low | 45 | Very low | 96 Ų | 96 | 131.1 Ų | 131.1 | 59% | 0.589 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -81.9 | -17.1 | 175.6 | 56.3 | 0 | 0 | 0 | 0 | 115.1 | I373 V374 L375 | I373-T377 PolarHBondContact O-N 2.92Å; I373-T377 PolarHBondContact O-OG1 3.06Å; V374-T377 PolarHBondContact O-N 3.33Å; V374-T377 PolarHBondContact O-OG1 3.12Å; V374-T377 VanDerWaalsContact O-OG1 3.13Å; L375-T377 VanDerWaalsContact C-N 3.34Å; L375-T377 PolarHBondContact O-N 3.46Å |
| 378 | M | 49 | Very low | 44.7 | Very low | 154 Ų | 154 | 129.6 Ų | 129.6 | 76% | 0.759 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -87.2 | -7.3 | 177.8 | -72.8 | -150.6 | -171.6 | 0 | 0 | 114.5 | L375 | L375-M378 PolarHBondContact O-N 3.19Š|
| 379 | F | 40.1 | Very low | 44.5 | Very low | 163 Ų | 163 | 135.4 Ų | 135.4 | 72% | 0.715 | 67% | 0.669 | S | S | * | * | trans | -109.7 | 43.9 | 177.2 | -72.1 | -78.9 | 0 | 0 | 0 | 112.7 | L375 P381 | L375-F379 HydrophobicContact CD2-CE2 4.4Å; L375-F379 WeakPolarHBondContact O-CD2 3.32Å; F379-P381 WeakPolarHBondContact O-CD 3.33Å | ||
| 380 | Y | 36.2 | Very low | 44.3 | Very low | 202 Ų | 202 | 136.3 Ų | 136.3 | 79% | 0.792 | 67% | 0.67 | S | S | * | * | trans | -89.6 | 108.2 | 156.3 | -96.4 | -85.6 | 0 | 0 | 0 | 108.5 | ||||
| 381 | P | 40.5 | Very low | 44.5 | Very low | 93 Ų | 93 | 138.9 Ų | 138.9 | 60% | 0.604 | 68% | 0.681 | S | S | * | * | trans | -70.7 | 134.7 | -179.5 | -3.9 | 20.2 | 0 | 0 | 0 | 109.2 | F379 F383 | F379-P381 WeakPolarHBondContact O-CD 3.33Å; P381-F383 HydrophobicContact CB-CD2 3.98Å; P381-F383 HydrophobicContact CB-CE2 4.2Å; P381-F383 PolarHBondContact O-N 3Å | ||
| 382 | L | 36.2 | Very low | 44.6 | Very low | 183 Ų | 183 | 139.9 Ų | 139.9 | 96% | 0.958 | 69% | 0.685 | S | S | * | * | trans | -56.5 | 102 | 160.2 | -74.6 | 147.5 | 0 | 0 | 0 | 108.3 | ||||
| 383 | F | 38.7 | Very low | 44.4 | Very low | 264 Ų | 264 | 137 Ų | 137 | 100% | 1.158 | 69% | 0.686 | S | S | * | * | trans | -127.9 | 0 | 159.1 | -86 | -71.5 | 0 | 0 | 0 | 109.1 | P381 | P381-F383 HydrophobicContact CB-CD2 3.98Å; P381-F383 HydrophobicContact CB-CE2 4.2Å; P381-F383 PolarHBondContact O-N 3Å |
Retrieved 383 of 383 residues in 210.7 ms
(Link to these results)