| 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 | 39.1 | Very low | 51.5 | Low | 243 Ų | 243 | 155.8 Ų | 155.8 | 100% | 1.197 | 81% | 0.811 | S | S | * | * | 0 | 100.8 | 0 | -99.3 | 171.2 | -100.6 | 0 | 0 | 107.4 | L3 | M1-L3 PolarHBondContact O-N 3.17Š| |||
| 2 | I | 40.7 | Very low | 53 | Low | 158 Ų | 158 | 146.4 Ų | 146.4 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | -74.5 | 114.5 | 176.1 | -60.1 | 176.3 | 0 | 0 | 0 | 106.1 | L4 | I2-L4 PolarHBondContact O-N 2.99Š| ||
| 3 | L | 39.7 | Very low | 55.1 | Low | 165 Ų | 165 | 142.5 Ų | 142.5 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | trans | -69.3 | 97.6 | 169.9 | -163.9 | 80.7 | 0 | 0 | 0 | 106.2 | M1 P5 | M1-L3 PolarHBondContact O-N 3.17Å; L3-P5 WeakPolarHBondContact O-CD 3.17Å | ||
| 4 | L | 46.3 | Very low | 57.5 | Low | 141 Ų | 141 | 133.9 Ų | 133.9 | 74% | 0.738 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 122.9 | 170.9 | -73.7 | 169.1 | 0 | 0 | 0 | 107.2 | I2 Q6 | I2-L4 PolarHBondContact O-N 2.99Å; L4-Q6 PolarHBondContact O-N 3.31Å |
| 5 | P | 52.1 | Low | 59.8 | Low | 112 Ų | 112 | 132.1 Ų | 132.1 | 73% | 0.727 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 124.8 | 175.8 | 23.5 | -30.8 | 0 | 0 | 0 | 108 | L3 | L3-P5 WeakPolarHBondContact O-CD 3.17Š|
| 6 | Q | 58.6 | Low | 61.8 | Low | 146 Ų | 146 | 129 Ų | 129 | 68% | 0.682 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -57 | 129.3 | 174.6 | -66 | -66.9 | -13.8 | 0 | 0 | 107.8 | L4 | L4-Q6 PolarHBondContact O-N 3.31Š|
| 7 | P | 57.6 | Low | 63.5 | Low | 100 Ų | 100 | 124.3 Ų | 124.3 | 65% | 0.649 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 145 | 178.9 | 23.9 | -32.4 | 0 | 0 | 0 | 109.2 | K9 | P7-K9 PolarHBondContact O-N 2.8Š|
| 8 | P | 55.4 | Low | 65 | Low | 121 Ų | 121 | 121.1 Ų | 121.1 | 79% | 0.786 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 132.7 | 177.9 | 21.8 | -32 | 0 | 0 | 0 | 108.9 | K10 | P8-K10 PolarHBondContact O-N 3.18Š|
| 9 | K | 57.3 | Low | 66.3 | Low | 185 Ų | 185 | 118.9 Ų | 118.9 | 80% | 0.804 | 64% | 0.639 | S | S | * | * | trans | -48.7 | 109.4 | 178.4 | -69.8 | -178.7 | 178.9 | 177 | 0 | 108.1 | P7 L11 | P7-K9 PolarHBondContact O-N 2.8Å; K9-L11 PolarHBondContact O-N 3.1Å | ||
| 10 | K | 59.5 | Low | 67.5 | Low | 151 Ų | 151 | 113.3 Ų | 113.3 | 66% | 0.657 | 61% | 0.609 | S | S | * | * | trans | -56.9 | 133.1 | 172.5 | -76.6 | -170.9 | -177.9 | 175.6 | 0 | 106.8 | P8 G12 | P8-K10 PolarHBondContact O-N 3.18Å; K10-G12 PolarHBondContact O-N 3.32Å | ||
| 11 | L | 60.2 | Low | 68.5 | Low | 192 Ų | 192 | 115.2 Ų | 115.2 | 100% | 1.005 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -64.1 | 2.5 | 176.5 | -171.5 | 60 | 0 | 0 | 0 | 112.9 | K9 | K9-L11 PolarHBondContact O-N 3.1Š|
| 12 | G | 69.4 | Low | 70.8 | Confident | 43 Ų | 43 | 106.7 Ų | 106.7 | 44% | 0.443 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -116.2 | 154.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | K10 Q14 | K10-G12 PolarHBondContact O-N 3.32Å; G12-Q14 PolarHBondContact O-N 2.74Å; G12-Q14 PolarHBondContact O-NE2 3.41Å |
| 13 | L | 81 | Confident | 73.1 | Confident | 95 Ų | 95 | 99.6 Ų | 99.6 | 50% | 0.497 | 54% | 0.54 | S | S | . | . | P | Polyproline II helix | trans | -58 | 132.8 | 171.2 | -63.7 | 170.1 | 0 | 0 | 0 | 110.2 | A24 Q25 K27 | L13-A24 VanDerWaalsContact CD2-O 3.28Å; L13-A24 WeakPolarHBondContact CD2-O 2.98Å; L13-Q25 CarbonylContact C-O 3.55Å; L13-Q25 WeakPolarHBondContact CA-O 3.42Å; L13-K27 HydrophobicContact CB-CB 4.35Å; L13-K27 HydrophobicContact CB-CG 3.37Å; L13-K27 HydrophobicContact CD1-CG 4.13Å; L13-K27 HydrophobicContact CG-CG 4.39Å; L13-K27 WeakPolarHBondContact O-CE 3.3Å |
| 14 | Q | 88.4 | Confident | 75.4 | Confident | 23 Ų | 23 | 95 Ų | 95 | 11% | 0.107 | 53% | 0.526 | C | S | . | . | B | Isolated β-bridge | trans | -70.3 | 146.4 | 176 | -80.3 | 102.2 | 94.6 | 0 | 0 | 112.3 | G12 E18 L19 Q25 K27 | G12-Q14 PolarHBondContact O-N 2.74Å; G12-Q14 PolarHBondContact O-NE2 3.41Å; Q14-E18 VanDerWaalsContact CA-OE2 3.26Å; Q14-E18 WeakPolarHBondContact CA-OE2 3.3Å; Q14-E18 HydrophobicContact CB-CB 3.99Å; Q14-E18 WeakPolarHBondContact CB-OE2 3.31Å; Q14-E18 HydrophobicContact CG-CB 3.98Å; Q14-L19 PolarHBondContact OE1-O 3.38Å; Q14-Q25 WeakPolarHBondContact CB-O 3.02Å; Q14-Q25 PolarHBondContact N-O 2.02Å; Q14-Q25 PolarHBondContact NE2-O 2.86Å; Q14-K27 PolarHBondContact O-N 3.35Å |
| 15 | E | 92.1 | Very high | 77.4 | Confident | 106 Ų | 106 | 90.5 Ų | 90.5 | 50% | 0.495 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -80.3 | 165.6 | 173.4 | -61.7 | -89.2 | 100.7 | 0 | 0 | 111 | G17 E18 K27 C42 | E15-G17 PolarHBondContact O-N 3.07Å; E15-E18 PolarHBondContact N-OE2 3.17Å; E15-E18 PolarHBondContact O-N 2.89Å; E15-K27 VanDerWaalsContact OE1-CD 3.24Å; E15-K27 WeakPolarHBondContact OE1-CD 3.45Å; E15-K27 VanDerWaalsContact OE1-CE 3.27Å; E15-K27 WeakPolarHBondContact OE1-CE 3.4Å; E15-K27 IonicContact OE1-NZ 3.64Å; E15-K27 PolarHBondContact OE1-NZ 3.01Å; E15-C42 VanDerWaalsContact O-CB 3.23Å; E15-C42 WeakPolarHBondContact O-CB 3.26Å |
| 16 | N | 91.6 | Very high | 79.2 | Confident | 83 Ų | 83 | 85.2 Ų | 85.2 | 44% | 0.444 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 136.4 | 173.4 | -72.8 | -11.5 | 0 | 0 | 0 | 111.3 | C42 T43 S44 | N16-C42 CarbonylContact C-O 3.48Å; N16-C42 WeakPolarHBondContact CA-O 3.44Å; N16-T43 WeakPolarHBondContact OD1-CA 3.32Å; N16-S44 PolarHBondContact ND2-N 3.49Å; N16-S44 PolarHBondContact ND2-OG 3.31Å |
| 17 | G | 89.9 | Confident | 80.8 | Confident | 49 Ų | 49 | 83.9 Ų | 83.9 | 51% | 0.505 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.6 | -16 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | E15 R41 C42 | E15-G17 PolarHBondContact O-N 3.07Å; G17-R41 WeakPolarHBondContact O-CD 3.34Å; G17-C42 PolarHBondContact N-O 2.01Å |
| 18 | E | 90.9 | Very high | 82.3 | Confident | 67 Ų | 67 | 80.3 Ų | 80.3 | 31% | 0.313 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -75 | 151.9 | 174.5 | -67.4 | -172 | 101.9 | 0 | 0 | 111.6 | Q14 E15 R41 C42 | Q14-E18 VanDerWaalsContact CA-OE2 3.26Å; Q14-E18 WeakPolarHBondContact CA-OE2 3.3Å; Q14-E18 HydrophobicContact CB-CB 3.99Å; Q14-E18 WeakPolarHBondContact CB-OE2 3.31Å; Q14-E18 HydrophobicContact CG-CB 3.98Å; E15-E18 PolarHBondContact N-OE2 3.17Å; E15-E18 PolarHBondContact O-N 2.89Å; E18-R41 CarbonylContact O-C 3.59Å; E18-R41 WeakPolarHBondContact O-CA 3.3Å; E18-R41 WeakPolarHBondContact O-CB 3.22Å; E18-C42 PolarHBondContact O-N 3.35Å |
| 19 | L | 90.6 | Very high | 84 | Confident | 80 Ų | 80 | 78.8 Ų | 78.8 | 42% | 0.419 | 42% | 0.421 | S | S | . | . | B | Isolated β-bridge | trans | -66.9 | 137 | 176.7 | -74 | 166.3 | 0 | 0 | 0 | 110.6 | Q14 L39 R41 | Q14-L19 PolarHBondContact OE1-O 3.38Å; L19-L39 HydrophobicContact CD2-CB 3.84Å; L19-L39 HydrophobicContact CD2-CD1 4.13Å; L19-L39 HydrophobicContact CD2-CG 4.39Å; L19-R41 HydrophobicContact CD2-CG 4.1Å |
| 20 | C | 89.8 | Confident | 85.6 | Confident | 6 Ų | 6 | 70 Ų | 70 | 4% | 0.041 | 38% | 0.383 | C | S | . | . | trans | -137.6 | 153 | 178.9 | 60.2 | 0 | 0 | 0 | 0 | 111 | C31 A40 R41 C42 | C20-C31 HydrophobicContact CB-CB 3.94Å; C20-C31 WeakPolarHBondContact CB-SG 3.21Å; C20-C31 PolarHBondContact O-SG 2.03Å; C20-C31 WeakPolarHBondContact SG-CA 3.48Å; C20-C31 WeakPolarHBondContact SG-CB 3.46Å; C20-C31 CovalentContact SG-SG 2.02Å; C20-C31 PolarHBondContact SG-SG 3.44Å; C20-A40 PolarHBondContact N-O 2.69Å; C20-R41 WeakPolarHBondContact SG-CA 3.26Å; C20-R41 PolarHBondContact SG-O 2.78Å; C20-C42 PolarHBondContact SG-N 3.2Å | ||
| 21 | M | 88.2 | Confident | 87.2 | Confident | 153 Ų | 153 | 62.8 Ų | 62.8 | 75% | 0.754 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -115.1 | -4.5 | 173 | -66.5 | -69.2 | -71.1 | 0 | 0 | 112.1 | I60 | M21-I60 WeakPolarHBondContact O-CD1 3.35Š|
| 22 | N | 87.6 | Confident | 88.7 | Confident | 64 Ų | 64 | 55.6 Ų | 55.6 | 34% | 0.342 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -165.4 | 141.7 | -179.5 | -166.6 | -75.9 | 0 | 0 | 0 | 108.9 | A24 Q25 | N22-A24 PolarHBondContact O-N 3.09Å; N22-A24 WeakPolarHBondContact OD1-CB 3.1Å; N22-A24 PolarHBondContact OD1-N 2.85Å; N22-Q25 WeakPolarHBondContact O-CB 3.38Å; N22-Q25 PolarHBondContact O-N 2.87Å |
| 23 | S | 89.3 | Confident | 89.7 | Confident | 10 Ų | 10 | 54.8 Ų | 54.8 | 7% | 0.07 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -58.1 | -27.9 | 178.7 | -68 | 0 | 0 | 0 | 0 | 113.6 | Q25 C26 N29 C31 G59 | S23-Q25 PolarHBondContact O-N 3.24Å; S23-Q25 VanDerWaalsContact O-N 3.15Å; S23-C26 PolarHBondContact O-N 3.11Å; S23-N29 WeakPolarHBondContact CB-O 3.49Å; S23-N29 WeakPolarHBondContact O-CA 3.48Å; S23-C31 PolarHBondContact OG-N 3.4Å; S23-G59 VanDerWaalsContact CB-O 3.24Å; S23-G59 WeakPolarHBondContact CB-O 3.15Å; S23-G59 PolarHBondContact N-O 3.18Å; S23-G59 PolarHBondContact OG-O 2.86Å |
| 24 | A | 88.1 | Confident | 89.7 | Confident | 69 Ų | 69 | 55.2 Ų | 55.2 | 57% | 0.57 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -63.8 | -15.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L13 N22 | L13-A24 VanDerWaalsContact CD2-O 3.28Å; L13-A24 WeakPolarHBondContact CD2-O 2.98Å; N22-A24 PolarHBondContact O-N 3.09Å; N22-A24 WeakPolarHBondContact OD1-CB 3.1Å; N22-A24 PolarHBondContact OD1-N 2.85Å |
| 25 | Q | 87.9 | Confident | 89.2 | Confident | 46 Ų | 46 | 57 Ų | 57 | 22% | 0.215 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -83.5 | -16.7 | 175.4 | -65.1 | 174.1 | 104.7 | 0 | 0 | 112.4 | L13 Q14 N22 S23 | L13-Q25 CarbonylContact C-O 3.55Å; L13-Q25 WeakPolarHBondContact CA-O 3.42Å; Q14-Q25 WeakPolarHBondContact CB-O 3.02Å; Q14-Q25 PolarHBondContact N-O 2.02Å; Q14-Q25 PolarHBondContact NE2-O 2.86Å; N22-Q25 WeakPolarHBondContact O-CB 3.38Å; N22-Q25 PolarHBondContact O-N 2.87Å; S23-Q25 PolarHBondContact O-N 3.24Å; S23-Q25 VanDerWaalsContact O-N 3.15Å |
| 26 | C | 90 | Very high | 88.4 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -96.5 | 138.9 | -174.8 | -55.4 | 0 | 0 | 0 | 0 | 111.1 | S23 S28 N29 C30 C42 | S23-C26 PolarHBondContact O-N 3.11Å; C26-S28 PolarHBondContact O-N 2.9Å; C26-N29 PolarHBondContact O-N 3.48Å; C26-C30 PolarHBondContact SG-O 2.88Å; C26-C30 VanDerWaalsContact SG-O 3.4Å; C26-C42 WeakPolarHBondContact CA-SG 3.44Å; C26-C42 HydrophobicContact CB-CB 3.64Å; C26-C42 WeakPolarHBondContact CB-SG 3.4Å; C26-C42 WeakPolarHBondContact SG-CA 3.45Å; C26-C42 WeakPolarHBondContact SG-CB 2.96Å; C26-C42 CovalentContact SG-SG 2.03Å; C26-C42 PolarHBondContact SG-SG 3.45Å |
| 27 | K | 91.2 | Very high | 87.8 | Confident | 119 Ų | 119 | 60.4 Ų | 60.4 | 52% | 0.517 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -38 | 171.3 | -73.6 | -175.3 | -173.4 | 173.6 | 0 | 112.4 | L13 Q14 E15 N29 | L13-K27 HydrophobicContact CB-CB 4.35Å; L13-K27 HydrophobicContact CB-CG 3.37Å; L13-K27 HydrophobicContact CD1-CG 4.13Å; L13-K27 HydrophobicContact CG-CG 4.39Å; L13-K27 WeakPolarHBondContact O-CE 3.3Å; Q14-K27 PolarHBondContact O-N 3.35Å; E15-K27 VanDerWaalsContact OE1-CD 3.24Å; E15-K27 WeakPolarHBondContact OE1-CD 3.45Å; E15-K27 VanDerWaalsContact OE1-CE 3.27Å; E15-K27 WeakPolarHBondContact OE1-CE 3.4Å; E15-K27 IonicContact OE1-NZ 3.64Å; E15-K27 PolarHBondContact OE1-NZ 3.01Å; K27-N29 PolarHBondContact O-N 2.91Å; K27-N29 PolarHBondContact O-ND2 3.01Å |
| 28 | S | 90.3 | Very high | 87.3 | Confident | 24 Ų | 24 | 59.4 Ų | 59.4 | 17% | 0.168 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -10.3 | 176.1 | 61.9 | 0 | 0 | 0 | 0 | 114 | C26 C30 T43 M45 | C26-S28 PolarHBondContact O-N 2.9Å; S28-C30 PolarHBondContact O-N 3.07Å; S28-C30 PolarHBondContact OG-N 3Å; S28-C30 PolarHBondContact OG-O 2.92Å; S28-T43 WeakPolarHBondContact CB-O 3.45Å; S28-T43 PolarHBondContact OG-O 2.61Å; S28-M45 WeakPolarHBondContact O-CG 3.06Å |
| 29 | N | 90.2 | Very high | 87.1 | Confident | 89 Ų | 89 | 61.7 Ų | 61.7 | 48% | 0.476 | 36% | 0.359 | S | S | . | . | S | Bend | trans | 57.5 | 23.9 | -170.7 | -64.5 | -96.5 | 0 | 0 | 0 | 114.1 | S23 C26 K27 M45 | S23-N29 WeakPolarHBondContact CB-O 3.49Å; S23-N29 WeakPolarHBondContact O-CA 3.48Å; C26-N29 PolarHBondContact O-N 3.48Å; K27-N29 PolarHBondContact O-N 2.91Å; K27-N29 PolarHBondContact O-ND2 3.01Å; N29-M45 HydrophobicContact CB-CE 4.09Å |
| 30 | C | 92.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 34% | 0.344 | C | S | . | . | trans | -131.4 | 122 | 170.4 | -171.9 | 0 | 0 | 0 | 0 | 112.2 | C26 S28 C42 T43 M45 C64 | C26-C30 PolarHBondContact SG-O 2.88Å; C26-C30 VanDerWaalsContact SG-O 3.4Å; S28-C30 PolarHBondContact O-N 3.07Å; S28-C30 PolarHBondContact OG-N 3Å; S28-C30 PolarHBondContact OG-O 2.92Å; C30-C42 WeakPolarHBondContact O-CA 3.28Å; C30-T43 PolarHBondContact O-N 2.77Å; C30-M45 HydrophobicContact CB-CG 4.5Å; C30-C64 HydrophobicContact CB-CB 3.86Å; C30-C64 WeakPolarHBondContact CB-SG 3.39Å; C30-C64 WeakPolarHBondContact SG-CA 3.15Å; C30-C64 WeakPolarHBondContact SG-CB 2.97Å; C30-C64 CovalentContact SG-SG 2.01Å; C30-C64 PolarHBondContact SG-SG 2.64Å | ||
| 31 | C | 92.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 114.3 | 169 | -175.8 | 0 | 0 | 0 | 0 | 108.8 | C20 S23 A40 I60 Y61 | C20-C31 HydrophobicContact CB-CB 3.94Å; C20-C31 WeakPolarHBondContact CB-SG 3.21Å; C20-C31 PolarHBondContact O-SG 2.03Å; C20-C31 WeakPolarHBondContact SG-CA 3.48Å; C20-C31 WeakPolarHBondContact SG-CB 3.46Å; C20-C31 CovalentContact SG-SG 2.02Å; C20-C31 PolarHBondContact SG-SG 3.44Å; S23-C31 PolarHBondContact OG-N 3.4Å; C31-A40 VanDerWaalsContact SG-CB 3.56Å; C31-I60 CarbonylContact O-C 3.49Å; C31-I60 WeakPolarHBondContact O-CA 3.11Å; C31-Y61 PolarHBondContact O-N 3.04Å |
| 32 | Q | 92.5 | Very high | 87.5 | Confident | 42 Ų | 42 | 56.4 Ų | 56.4 | 20% | 0.196 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 144.1 | -171 | -172.9 | -82 | -14.1 | 0 | 0 | 112.1 | A40 R41 T43 Y61 Y62 | Q32-A40 CarbonylContact O-C 3.56Å; Q32-A40 WeakPolarHBondContact O-CA 3.08Å; Q32-R41 PolarHBondContact N-O 3.22Å; Q32-R41 PolarHBondContact O-N 3.24Å; Q32-T43 HydrophobicContact CB-CG2 3.49Å; Q32-T43 VanDerWaalsContact CB-CG2 3.49Å; Q32-T43 HydrophobicContact CG-CG2 4.23Å; Q32-Y61 CarbonylContact C-O 3.55Å; Q32-Y61 WeakPolarHBondContact CA-O 3Å; Q32-Y61 WeakPolarHBondContact CG-O 3.36Å; Q32-Y62 WeakPolarHBondContact CG-O 3.24Å; Q32-Y62 PolarHBondContact NE2-O 3.25Å |
| 33 | H | 89.8 | Confident | 87.8 | Confident | 26 Ų | 26 | 55.9 Ų | 55.9 | 12% | 0.12 | 33% | 0.326 | C | S | . | . | trans | -130.8 | 139.2 | 170.6 | 69.4 | 119.2 | 0 | 0 | 0 | 111.3 | S35 A40 Y61 Y62 | H33-S35 PolarHBondContact ND1-O 3.32Å; H33-A40 HydrophobicContact CB-CB 3.97Å; H33-Y61 PolarHBondContact CD2-O 3.15Å; H33-Y61 VanDerWaalsContact CD2-O 3.24Å; H33-Y61 PolarHBondContact N-O 3.17Å; H33-Y62 AromaticContact CE1-CD1 3.73Å; H33-Y62 AromaticContact CE1-CE1 3.24Å; H33-Y62 WeakPolarHBondContact CE1-CE1 3.28Å; H33-Y62 AromaticContact CE1-CE2 3.62Å; H33-Y62 AromaticContact CE1-CZ 3.18Å; H33-Y62 AromaticContact ND1-CE1 3.78Å; H33-Y62 AromaticContact NE2-CD1 3.9Å; H33-Y62 AromaticContact NE2-CD2 3.75Å; H33-Y62 AromaticContact NE2-CE1 3.83Å; H33-Y62 AromaticContact NE2-CE2 3.66Å; H33-Y62 AromaticContact NE2-CG 3.87Å; H33-Y62 AromaticContact NE2-CZ 3.71Å | ||
| 34 | S | 80.4 | Confident | 88.1 | Confident | 103 Ų | 103 | 58.5 Ų | 58.5 | 72% | 0.72 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -83.3 | -11.2 | -175.1 | -40.9 | 0 | 0 | 0 | 0 | 114 | ||
| 35 | S | 78.6 | Confident | 88.3 | Confident | 60 Ų | 60 | 57.7 Ų | 57.7 | 42% | 0.42 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -157.4 | 156.9 | -176.5 | 63.8 | 0 | 0 | 0 | 0 | 111.8 | H33 L37 G38 | H33-S35 PolarHBondContact ND1-O 3.32Å; S35-L37 PolarHBondContact O-N 3.29Å; S35-L37 VanDerWaalsContact O-N 3.1Å; S35-G38 PolarHBondContact O-N 3.19Å; S35-G38 WeakPolarHBondContact OG-CA 3.44Å; S35-G38 PolarHBondContact OG-N 2.97Å |
| 36 | A | 74.8 | Confident | 88.5 | Confident | 81 Ų | 81 | 55.9 Ų | 55.9 | 67% | 0.669 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -28.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y62 | A36-Y62 WeakPolarHBondContact CA-OH 3.35Å; A36-Y62 WeakPolarHBondContact CB-OH 3.42Å |
| 37 | L | 78.3 | Confident | 88.5 | Confident | 180 Ų | 180 | 58.6 Ų | 58.6 | 94% | 0.942 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.7 | 6.6 | 177.1 | -69.4 | 161.1 | 0 | 0 | 0 | 112.5 | S35 | S35-L37 PolarHBondContact O-N 3.29Å; S35-L37 VanDerWaalsContact O-N 3.1Å |
| 38 | G | 79.8 | Confident | 88.5 | Confident | 29 Ų | 29 | 57.2 Ų | 57.2 | 30% | 0.299 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -79.6 | 147.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S35 | S35-G38 PolarHBondContact O-N 3.19Å; S35-G38 WeakPolarHBondContact OG-CA 3.44Å; S35-G38 PolarHBondContact OG-N 2.97Å |
| 39 | L | 87.2 | Confident | 88.2 | Confident | 114 Ų | 114 | 60.6 Ų | 60.6 | 60% | 0.597 | 35% | 0.354 | S | S | * | . | P | Polyproline II helix | trans | -68.8 | 131.2 | 171.6 | -69.4 | 171 | 0 | 0 | 0 | 110.6 | L19 | L19-L39 HydrophobicContact CD2-CB 3.84Å; L19-L39 HydrophobicContact CD2-CD1 4.13Å; L19-L39 HydrophobicContact CD2-CG 4.39Å |
| 40 | A | 91.2 | Very high | 88 | Confident | 13 Ų | 13 | 58.2 Ų | 58.2 | 11% | 0.107 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -81.5 | 141.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | C20 C31 Q32 H33 I60 | C20-A40 PolarHBondContact N-O 2.69Å; C31-A40 VanDerWaalsContact SG-CB 3.56Å; Q32-A40 CarbonylContact O-C 3.56Å; Q32-A40 WeakPolarHBondContact O-CA 3.08Å; H33-A40 HydrophobicContact CB-CB 3.97Å; A40-I60 HydrophobicContact CB-CG2 3.98Å |
| 41 | R | 93 | Very high | 87.7 | Confident | 114 Ų | 114 | 63.2 Ų | 63.2 | 43% | 0.43 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 150.6 | 178.1 | -70.5 | 178.6 | 178.4 | 82 | -2.7 | 111.4 | G17 E18 L19 C20 Q32 | G17-R41 WeakPolarHBondContact O-CD 3.34Å; E18-R41 CarbonylContact O-C 3.59Å; E18-R41 WeakPolarHBondContact O-CA 3.3Å; E18-R41 WeakPolarHBondContact O-CB 3.22Å; L19-R41 HydrophobicContact CD2-CG 4.1Å; C20-R41 WeakPolarHBondContact SG-CA 3.26Å; C20-R41 PolarHBondContact SG-O 2.78Å; Q32-R41 PolarHBondContact N-O 3.22Å; Q32-R41 PolarHBondContact O-N 3.24Å |
| 42 | C | 93.1 | Very high | 87.5 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.007 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 136.7 | 173.5 | -66.8 | 0 | 0 | 0 | 0 | 109.5 | E15 N16 G17 E18 C20 C26 C30 | E15-C42 VanDerWaalsContact O-CB 3.23Å; E15-C42 WeakPolarHBondContact O-CB 3.26Å; N16-C42 CarbonylContact C-O 3.48Å; N16-C42 WeakPolarHBondContact CA-O 3.44Å; G17-C42 PolarHBondContact N-O 2.01Å; E18-C42 PolarHBondContact O-N 3.35Å; C20-C42 PolarHBondContact SG-N 3.2Å; C26-C42 WeakPolarHBondContact CA-SG 3.44Å; C26-C42 HydrophobicContact CB-CB 3.64Å; C26-C42 WeakPolarHBondContact CB-SG 3.4Å; C26-C42 WeakPolarHBondContact SG-CA 3.45Å; C26-C42 WeakPolarHBondContact SG-CB 2.96Å; C26-C42 CovalentContact SG-SG 2.03Å; C26-C42 PolarHBondContact SG-SG 3.45Å; C30-C42 WeakPolarHBondContact O-CA 3.28Å |
| 43 | T | 94.4 | Very high | 87.1 | Confident | 53 Ų | 53 | 61.6 Ų | 61.6 | 33% | 0.325 | 36% | 0.36 | S | S | . | . | trans | -148.5 | 167 | 175.4 | -167.8 | 0 | 0 | 0 | 0 | 110.6 | N16 S28 C30 Q32 C64 | N16-T43 WeakPolarHBondContact OD1-CA 3.32Å; S28-T43 WeakPolarHBondContact CB-O 3.45Å; S28-T43 PolarHBondContact OG-O 2.61Å; C30-T43 PolarHBondContact O-N 2.77Å; Q32-T43 HydrophobicContact CB-CG2 3.49Å; Q32-T43 VanDerWaalsContact CB-CG2 3.49Å; Q32-T43 HydrophobicContact CG-CG2 4.23Å; T43-C64 WeakPolarHBondContact CG2-SG 3.38Å | ||
| 44 | S | 94.4 | Very high | 86.6 | Confident | 66 Ų | 66 | 63 Ų | 63 | 46% | 0.462 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 149.4 | 177.4 | -60.8 | 0 | 0 | 0 | 0 | 111.6 | N16 C64 | N16-S44 PolarHBondContact ND2-N 3.49Å; N16-S44 PolarHBondContact ND2-OG 3.31Å; S44-C64 PolarHBondContact O-SG 2.96Å; S44-C64 VanDerWaalsContact O-SG 3.35Å |
| 45 | M | 92.5 | Very high | 86.2 | Confident | 51 Ų | 51 | 66.8 Ų | 66.8 | 25% | 0.251 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 159.8 | 166.1 | -76.7 | 178.5 | 147.4 | 0 | 0 | 110.7 | S28 N29 C30 S47 P65 E67 | S28-M45 WeakPolarHBondContact O-CG 3.06Å; N29-M45 HydrophobicContact CB-CE 4.09Å; C30-M45 HydrophobicContact CB-CG 4.5Å; M45-S47 PolarHBondContact O-N 2.66Å; M45-P65 WeakPolarHBondContact CB-O 3.2Å; M45-P65 HydrophobicContact CE-CG 4.23Å; M45-E67 HydrophobicContact CB-CB 4.48Å; M45-E67 HydrophobicContact CB-CG 3.57Å |
| 46 | A | 91.4 | Very high | 85.7 | Confident | 9 Ų | 9 | 66.2 Ų | 66.2 | 7% | 0.074 | 37% | 0.368 | C | S | . | . | B | Isolated β-bridge | trans | -73.6 | 127.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111 | E51 C52 P65 C66 E67 C90 | A46-E51 WeakPolarHBondContact CB-O 3Å; A46-C52 HydrophobicContact CB-CB 3.97Å; A46-P65 PolarHBondContact N-O 2.9Å; A46-C66 CarbonylContact O-C 3.51Å; A46-C66 VanDerWaalsContact O-CA 3.28Å; A46-C66 WeakPolarHBondContact O-CA 3.01Å; A46-E67 PolarHBondContact O-N 3.01Å; A46-C90 VanDerWaalsContact CB-SG 3.5Å |
| 47 | S | 92 | Very high | 85.5 | Confident | 57 Ų | 57 | 70.9 Ų | 70.9 | 40% | 0.399 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -77 | 170.4 | 175.6 | 41.2 | 0 | 0 | 0 | 0 | 112.2 | M45 S50 C90 | M45-S47 PolarHBondContact O-N 2.66Å; S47-S50 WeakPolarHBondContact O-CB 3.09Å; S47-S50 PolarHBondContact O-N 3.25Å; S47-S50 VanDerWaalsContact O-N 3.11Å; S47-S50 PolarHBondContact O-OG 3.13Å; S47-S50 PolarHBondContact OG-OG 3.04Å; S47-C90 VanDerWaalsContact O-CB 3.26Å; S47-C90 WeakPolarHBondContact O-CB 3.38Å |
| 48 | E | 89.8 | Confident | 85.1 | Confident | 89 Ų | 89 | 71.9 Ų | 71.9 | 42% | 0.416 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 142.1 | 175.6 | -161.4 | -171.5 | -168.5 | 0 | 0 | 111.2 | S50 L70 | E48-S50 PolarHBondContact O-N 3.09Å; E48-S50 VanDerWaalsContact O-N 3.09Å; E48-S50 PolarHBondContact O-OG 3.47Å; E48-L70 HydrophobicContact CB-CD1 4.14Å; E48-L70 HydrophobicContact CB-CD2 4.15Å; E48-L70 HydrophobicContact CG-CD2 4.1Å; E48-L70 VanDerWaalsContact N-CD1 3.32Å |
| 49 | N | 84.7 | Confident | 85.2 | Confident | 96 Ų | 96 | 71 Ų | 71 | 51% | 0.513 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60 | 14.3 | -177.3 | -52.1 | -57.2 | 0 | 0 | 0 | 114.8 | C90 | N49-C90 PolarHBondContact N-O 3.48Š|
| 50 | S | 85.5 | Confident | 85.3 | Confident | 39 Ų | 39 | 68.1 Ų | 68.1 | 27% | 0.273 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -100.5 | 154.9 | 176.4 | -51.9 | 0 | 0 | 0 | 0 | 111.5 | S47 E48 I89 C90 | S47-S50 WeakPolarHBondContact O-CB 3.09Å; S47-S50 PolarHBondContact O-N 3.25Å; S47-S50 VanDerWaalsContact O-N 3.11Å; S47-S50 PolarHBondContact O-OG 3.13Å; S47-S50 PolarHBondContact OG-OG 3.04Å; E48-S50 PolarHBondContact O-N 3.09Å; E48-S50 VanDerWaalsContact O-N 3.09Å; E48-S50 PolarHBondContact O-OG 3.47Å; S50-I89 WeakPolarHBondContact O-CA 3.07Å; S50-C90 PolarHBondContact O-N 3.29Å |
| 51 | E | 86.5 | Confident | 85.1 | Confident | 104 Ų | 104 | 68.1 Ų | 68.1 | 49% | 0.486 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 134.2 | 175.1 | -64.8 | 177.2 | 97.4 | 0 | 0 | 111.6 | A46 K63 G88 I89 | A46-E51 WeakPolarHBondContact CB-O 3Å; E51-K63 HydrophobicContact CB-CD 4.27Å; E51-K63 IonicContact OE1-NZ 2.69Å; E51-K63 IonicContact OE2-NZ 3.45Å; E51-K63 PolarHBondContact OE2-NZ 3.39Å; E51-G88 CarbonylContact C-O 3.56Å; E51-G88 VanDerWaalsContact CA-O 3.3Å; E51-G88 WeakPolarHBondContact CA-O 3.19Å; E51-I89 HydrophobicContact CG-CD1 4.15Å |
| 52 | C | 88.5 | Confident | 84.8 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 161.1 | -179.1 | 56.2 | 0 | 0 | 0 | 0 | 112 | A46 C64 C66 C72 F87 G88 I89 C90 | A46-C52 HydrophobicContact CB-CB 3.97Å; C52-C64 VanDerWaalsContact CA-O 3.26Å; C52-C64 WeakPolarHBondContact CA-O 3.39Å; C52-C64 WeakPolarHBondContact CB-O 3.27Å; C52-C66 VanDerWaalsContact CB-SG 3.52Å; C52-C72 VanDerWaalsContact C-SG 3.52Å; C52-C72 HydrophobicContact CB-CB 3.97Å; C52-C72 WeakPolarHBondContact CB-SG 3.38Å; C52-C72 WeakPolarHBondContact SG-CA 3.37Å; C52-C72 WeakPolarHBondContact SG-CB 3.23Å; C52-C72 CovalentContact SG-SG 2.03Å; C52-C72 PolarHBondContact SG-SG 3.04Å; C52-F87 CarbonylContact O-C 3.49Å; C52-F87 WeakPolarHBondContact O-CA 3.35Å; C52-G88 PolarHBondContact N-O 2.73Å; C52-G88 PolarHBondContact O-N 2.77Å; C52-G88 PolarHBondContact SG-O 2.83Å; C52-G88 VanDerWaalsContact SG-O 3.35Å; C52-I89 VanDerWaalsContact SG-C 3.56Å; C52-C90 WeakPolarHBondContact CB-SG 3.45Å; C52-C90 VanDerWaalsContact SG-SG 3.66Å |
| 53 | S | 83.8 | Confident | 84.5 | Confident | 8 Ų | 8 | 69.1 Ų | 69.1 | 6% | 0.056 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 147.6 | 164.4 | -162.3 | 0 | 0 | 0 | 0 | 110 | K63 C64 P65 | S53-K63 WeakPolarHBondContact CB-O 3.5Å; S53-K63 PolarHBondContact N-O 3.17Å; S53-C64 PolarHBondContact N-O 3.47Å; S53-P65 WeakPolarHBondContact O-CA 3.24Å |
| 54 | V | 78.3 | Confident | 84.4 | Confident | 56 Ų | 56 | 67.1 Ų | 67.1 | 34% | 0.339 | 34% | 0.34 | S | S | . | . | trans | -59.3 | 140.3 | 168.9 | -81.8 | 0 | 0 | 0 | 0 | 110.2 | T56 N86 | V54-T56 WeakPolarHBondContact O-CG2 3.42Å; V54-T56 PolarHBondContact O-N 2.87Å; V54-N86 HydrophobicContact CG2-CB 4.22Å | ||
| 55 | K | 71.9 | Confident | 84.2 | Confident | 182 Ų | 182 | 64.5 Ų | 64.5 | 79% | 0.791 | 32% | 0.322 | S | S | * | . | trans | -60 | 124.6 | -179.5 | -166.1 | 177.3 | -177.7 | 179.3 | 0 | 109.9 | Y61 | K55-Y61 VanDerWaalsContact CG-OH 3.3Å; K55-Y61 WeakPolarHBondContact CG-OH 3.48Å | ||
| 56 | T | 69.6 | Low | 84.2 | Confident | 49 Ų | 49 | 62.9 Ų | 62.9 | 30% | 0.301 | 32% | 0.315 | S | S | . | . | trans | -115.4 | 158.5 | -179.9 | 70.5 | 0 | 0 | 0 | 0 | 110.7 | V54 Y58 Y61 | V54-T56 WeakPolarHBondContact O-CG2 3.42Å; V54-T56 PolarHBondContact O-N 2.87Å; T56-Y58 PolarHBondContact O-N 3.39Å; T56-Y61 HydrophobicContact CG2-CE1 4.37Å; T56-Y61 PolarHBondContact N-OH 3.05Å; T56-Y61 PolarHBondContact O-OH 3.05Å; T56-Y61 VanDerWaalsContact O-OH 3.05Å | ||
| 57 | L | 69.4 | Low | 84.2 | Confident | 179 Ų | 179 | 67 Ų | 67 | 94% | 0.937 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -19.8 | 179.7 | -127.5 | 81.1 | 0 | 0 | 0 | 113.2 | G59 | L57-G59 PolarHBondContact O-N 3.24Š|
| 58 | Y | 71.1 | Confident | 84 | Confident | 201 Ų | 201 | 75.9 Ų | 75.9 | 79% | 0.788 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -17.1 | -172.5 | -61.2 | -72.8 | 0 | 0 | 0 | 113.6 | T56 I60 | T56-Y58 PolarHBondContact O-N 3.39Å; Y58-I60 PolarHBondContact O-N 3.3Å; Y58-I60 VanDerWaalsContact O-N 3.15Å |
| 59 | G | 81.8 | Confident | 83.9 | Confident | 9 Ų | 9 | 74 Ų | 74 | 9% | 0.093 | 36% | 0.362 | C | S | . | . | S | Bend | trans | 69.3 | 9.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115 | S23 L57 | S23-G59 VanDerWaalsContact CB-O 3.24Å; S23-G59 WeakPolarHBondContact CB-O 3.15Å; S23-G59 PolarHBondContact N-O 3.18Å; S23-G59 PolarHBondContact OG-O 2.86Å; L57-G59 PolarHBondContact O-N 3.24Å |
| 60 | I | 88.3 | Confident | 84.1 | Confident | 55 Ų | 55 | 71 Ų | 71 | 28% | 0.282 | 35% | 0.346 | S | S | . | . | trans | -131.4 | 141.5 | 169.8 | -54.7 | 176 | 0 | 0 | 0 | 107.1 | M21 C31 A40 Y58 | M21-I60 WeakPolarHBondContact O-CD1 3.35Å; C31-I60 CarbonylContact O-C 3.49Å; C31-I60 WeakPolarHBondContact O-CA 3.11Å; A40-I60 HydrophobicContact CB-CG2 3.98Å; Y58-I60 PolarHBondContact O-N 3.3Å; Y58-I60 VanDerWaalsContact O-N 3.15Å | ||
| 61 | Y | 87.4 | Confident | 84.2 | Confident | 12 Ų | 12 | 72.2 Ų | 72.2 | 5% | 0.047 | 35% | 0.351 | C | S | . | . | B | Isolated β-bridge | trans | -130.1 | 146.6 | -170 | -66.6 | -84.4 | 0 | 0 | 0 | 113.2 | C31 Q32 H33 K55 T56 K63 P65 | C31-Y61 PolarHBondContact O-N 3.04Å; Q32-Y61 CarbonylContact C-O 3.55Å; Q32-Y61 WeakPolarHBondContact CA-O 3Å; Q32-Y61 WeakPolarHBondContact CG-O 3.36Å; H33-Y61 PolarHBondContact CD2-O 3.15Å; H33-Y61 VanDerWaalsContact CD2-O 3.24Å; H33-Y61 PolarHBondContact N-O 3.17Å; K55-Y61 VanDerWaalsContact CG-OH 3.3Å; K55-Y61 WeakPolarHBondContact CG-OH 3.48Å; T56-Y61 HydrophobicContact CG2-CE1 4.37Å; T56-Y61 PolarHBondContact N-OH 3.05Å; T56-Y61 PolarHBondContact O-OH 3.05Å; T56-Y61 VanDerWaalsContact O-OH 3.05Å; Y61-K63 WeakPolarHBondContact CB-O 3.43Å; Y61-P65 HydrophobicContact CE2-CG 4.4Å |
| 62 | Y | 85.4 | Confident | 84.2 | Confident | 71 Ų | 71 | 68.2 Ų | 68.2 | 28% | 0.278 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -76.4 | -36.8 | 164.8 | -77.1 | -81.8 | 0 | 0 | 0 | 112.2 | Q32 H33 A36 N84 | Q32-Y62 WeakPolarHBondContact CG-O 3.24Å; Q32-Y62 PolarHBondContact NE2-O 3.25Å; H33-Y62 AromaticContact CE1-CD1 3.73Å; H33-Y62 AromaticContact CE1-CE1 3.24Å; H33-Y62 WeakPolarHBondContact CE1-CE1 3.28Å; H33-Y62 AromaticContact CE1-CE2 3.62Å; H33-Y62 AromaticContact CE1-CZ 3.18Å; H33-Y62 AromaticContact ND1-CE1 3.78Å; H33-Y62 AromaticContact NE2-CD1 3.9Å; H33-Y62 AromaticContact NE2-CD2 3.75Å; H33-Y62 AromaticContact NE2-CE1 3.83Å; H33-Y62 AromaticContact NE2-CE2 3.66Å; H33-Y62 AromaticContact NE2-CG 3.87Å; H33-Y62 AromaticContact NE2-CZ 3.71Å; A36-Y62 WeakPolarHBondContact CA-OH 3.35Å; A36-Y62 WeakPolarHBondContact CB-OH 3.42Å; Y62-N84 VanDerWaalsContact CD2-OD1 3.31Å; Y62-N84 WeakPolarHBondContact CD2-OD1 3.5Å |
| 63 | K | 88.2 | Confident | 83.9 | Confident | 66 Ų | 66 | 72.6 Ų | 72.6 | 29% | 0.287 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -132.2 | 133.9 | 172.4 | -64.4 | -75.3 | -175.4 | 162 | 0 | 107.8 | E51 S53 Y61 F87 | E51-K63 HydrophobicContact CB-CD 4.27Å; E51-K63 IonicContact OE1-NZ 2.69Å; E51-K63 IonicContact OE2-NZ 3.45Å; E51-K63 PolarHBondContact OE2-NZ 3.39Å; S53-K63 WeakPolarHBondContact CB-O 3.5Å; S53-K63 PolarHBondContact N-O 3.17Å; Y61-K63 WeakPolarHBondContact CB-O 3.43Å; K63-F87 HydrophobicContact CB-CD1 3.86Å; K63-F87 HydrophobicContact CB-CE1 3.88Å; K63-F87 HydrophobicContact CG-CD1 3.5Å; K63-F87 HydrophobicContact CG-CE1 3.42Å; K63-F87 VanDerWaalsContact CG-CE1 3.42Å; K63-F87 HydrophobicContact CG-CE2 4.47Å; K63-F87 HydrophobicContact CG-CG 4.12Å; K63-F87 HydrophobicContact CG-CZ 3.95Å |
| 64 | C | 91.4 | Very high | 83.3 | Confident | 10 Ų | 10 | 73.4 Ų | 73.4 | 7% | 0.068 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 150.9 | -176.6 | -72.3 | 0 | 0 | 0 | 0 | 112.4 | C30 T43 S44 C52 S53 | C30-C64 HydrophobicContact CB-CB 3.86Å; C30-C64 WeakPolarHBondContact CB-SG 3.39Å; C30-C64 WeakPolarHBondContact SG-CA 3.15Å; C30-C64 WeakPolarHBondContact SG-CB 2.97Å; C30-C64 CovalentContact SG-SG 2.01Å; C30-C64 PolarHBondContact SG-SG 2.64Å; T43-C64 WeakPolarHBondContact CG2-SG 3.38Å; S44-C64 PolarHBondContact O-SG 2.96Å; S44-C64 VanDerWaalsContact O-SG 3.35Å; C52-C64 VanDerWaalsContact CA-O 3.26Å; C52-C64 WeakPolarHBondContact CA-O 3.39Å; C52-C64 WeakPolarHBondContact CB-O 3.27Å; S53-C64 PolarHBondContact N-O 3.47Å |
| 65 | P | 90.5 | Very high | 82.4 | Confident | 12 Ų | 12 | 76.6 Ų | 76.6 | 8% | 0.078 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -65 | 159.9 | 166.4 | 29.5 | -34.3 | 0 | 0 | 0 | 110.4 | M45 A46 S53 Y61 | M45-P65 WeakPolarHBondContact CB-O 3.2Å; M45-P65 HydrophobicContact CE-CG 4.23Å; A46-P65 PolarHBondContact N-O 2.9Å; S53-P65 WeakPolarHBondContact O-CA 3.24Å; Y61-P65 HydrophobicContact CE2-CG 4.4Å |
| 66 | C | 91.8 | Very high | 81.7 | Confident | 16 Ų | 16 | 76.3 Ų | 76.3 | 11% | 0.108 | 38% | 0.379 | C | S | . | . | B | Isolated β-bridge | trans | -65 | 156.5 | 179 | -53.3 | 0 | 0 | 0 | 0 | 112.9 | A46 C52 L70 C90 | A46-C66 CarbonylContact O-C 3.51Å; A46-C66 VanDerWaalsContact O-CA 3.28Å; A46-C66 WeakPolarHBondContact O-CA 3.01Å; C52-C66 VanDerWaalsContact CB-SG 3.52Å; C66-L70 HydrophobicContact CB-CB 3.62Å; C66-L70 HydrophobicContact CB-CD1 4.42Å; C66-C90 WeakPolarHBondContact CA-SG 3.35Å; C66-C90 HydrophobicContact CB-CB 3.86Å; C66-C90 WeakPolarHBondContact CB-SG 3.47Å; C66-C90 WeakPolarHBondContact SG-CA 3.02Å; C66-C90 WeakPolarHBondContact SG-CB 3.41Å; C66-C90 CovalentContact SG-SG 2.02Å; C66-C90 PolarHBondContact SG-SG 3.15Å |
| 67 | E | 92.4 | Very high | 81 | Confident | 96 Ų | 96 | 77.1 Ų | 77.1 | 45% | 0.449 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 160.9 | 167.2 | -70.3 | -174.3 | 126.5 | 0 | 0 | 112 | M45 A46 G69 L70 | M45-E67 HydrophobicContact CB-CB 4.48Å; M45-E67 HydrophobicContact CB-CG 3.57Å; A46-E67 PolarHBondContact O-N 3.01Å; E67-G69 PolarHBondContact O-N 2.93Å; E67-L70 HydrophobicContact CB-CD1 4.19Å; E67-L70 PolarHBondContact O-N 3.2Å; E67-L70 VanDerWaalsContact O-N 3.17Å |
| 68 | R | 87.6 | Confident | 80.2 | Confident | 244 Ų | 244 | 75.1 Ų | 75.1 | 92% | 0.921 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 133.7 | 177.9 | -67.9 | -176.7 | -177.8 | -173.5 | 1.5 | 109.9 | ||
| 69 | G | 87.2 | Confident | 79.3 | Confident | 49 Ų | 49 | 70.3 Ų | 70.3 | 51% | 0.505 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.1 | -12.5 | -177 | 0 | 0 | 0 | 0 | 0 | 113.7 | E67 A93 | E67-G69 PolarHBondContact O-N 2.93Å; G69-A93 WeakPolarHBondContact O-CB 3.36Å; G69-A93 PolarHBondContact O-N 2.9Å |
| 70 | L | 89.3 | Confident | 77.9 | Confident | 34 Ų | 34 | 70.2 Ų | 70.2 | 18% | 0.178 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 148.6 | 177.6 | -56.4 | 177.2 | 0 | 0 | 0 | 111.1 | E48 C66 E67 C90 H91 D92 | E48-L70 HydrophobicContact CB-CD1 4.14Å; E48-L70 HydrophobicContact CB-CD2 4.15Å; E48-L70 HydrophobicContact CG-CD2 4.1Å; E48-L70 VanDerWaalsContact N-CD1 3.32Å; C66-L70 HydrophobicContact CB-CB 3.62Å; C66-L70 HydrophobicContact CB-CD1 4.42Å; E67-L70 HydrophobicContact CB-CD1 4.19Å; E67-L70 PolarHBondContact O-N 3.2Å; E67-L70 VanDerWaalsContact O-N 3.17Å; L70-C90 HydrophobicContact CB-CB 4.19Å; L70-C90 HydrophobicContact CD1-CB 3.97Å; L70-H91 CarbonylContact C-O 3.5Å; L70-H91 VanDerWaalsContact CA-O 3.31Å; L70-H91 WeakPolarHBondContact CA-O 3.46Å; L70-D92 HydrophobicContact CD2-CB 4.35Å |
| 71 | T | 87.6 | Confident | 76.1 | Confident | 63 Ų | 63 | 70.7 Ų | 70.7 | 39% | 0.387 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 131.1 | 173.8 | -56.5 | 0 | 0 | 0 | 0 | 109 | E73 C90 H91 | T71-E73 HydrophobicContact CG2-CG 4.42Å; T71-E73 PolarHBondContact O-N 2.8Å; T71-C90 WeakPolarHBondContact O-CA 3.49Å; T71-H91 PolarHBondContact N-O 2.88Å; T71-H91 PolarHBondContact O-N 3.05Å |
| 72 | C | 86.4 | Confident | 74.4 | Confident | 21 Ų | 21 | 76.6 Ų | 76.6 | 14% | 0.142 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 100.3 | 173.8 | -170.5 | 0 | 0 | 0 | 0 | 109.4 | C52 | C52-C72 VanDerWaalsContact C-SG 3.52Å; C52-C72 HydrophobicContact CB-CB 3.97Å; C52-C72 WeakPolarHBondContact CB-SG 3.38Å; C52-C72 WeakPolarHBondContact SG-CA 3.37Å; C52-C72 WeakPolarHBondContact SG-CB 3.23Å; C52-C72 CovalentContact SG-SG 2.03Å; C52-C72 PolarHBondContact SG-SG 3.04Å |
| 73 | E | 81.4 | Confident | 72.9 | Confident | 92 Ų | 92 | 77 Ų | 77 | 43% | 0.43 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 100.3 | 176.2 | -61.9 | -165.3 | 92.8 | 0 | 0 | 109.2 | T71 G88 I89 H91 | T71-E73 HydrophobicContact CG2-CG 4.42Å; T71-E73 PolarHBondContact O-N 2.8Å; E73-G88 CarbonylContact O-C 3.47Å; E73-G88 WeakPolarHBondContact O-CA 3.24Å; E73-I89 PolarHBondContact N-O 3.42Å; E73-I89 PolarHBondContact O-N 2.02Å; E73-H91 VanDerWaalsContact OE2-CB 3.3Å; E73-H91 WeakPolarHBondContact OE2-CB 3.14Å; E73-H91 IonicContact OE2-CD2 3.1Å; E73-H91 PolarHBondContact OE2-CD2 3.1Å; E73-H91 IonicContact OE2-CG 2.66Å |
| 74 | G | 71.2 | Confident | 71.1 | Confident | 25 Ų | 25 | 78 Ų | 78 | 26% | 0.258 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 162.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K76 | G74-K76 PolarHBondContact O-N 2.85Å |
| 75 | D | 60.4 | Low | 69.5 | Low | 122 Ų | 122 | 81.1 Ų | 81.1 | 65% | 0.652 | 44% | 0.44 | S | S | * | . | trans | -63.5 | 103.2 | 176 | -117.8 | -76.6 | 0 | 0 | 0 | 109.5 | T77 N86 | D75-T77 PolarHBondContact O-N 3.24Å; D75-T77 WeakPolarHBondContact OD1-CG2 3.48Å; D75-N86 PolarHBondContact O-OD1 2.93Å; D75-N86 VanDerWaalsContact O-OD1 3.07Å | ||
| 76 | K | 57.9 | Low | 68.1 | Low | 176 Ų | 176 | 82 Ų | 82 | 77% | 0.765 | 44% | 0.444 | S | S | * | . | trans | -80.2 | 37.8 | 178.6 | -59.7 | 178.5 | -174.5 | 175.7 | 0 | 111.5 | G74 | G74-K76 PolarHBondContact O-N 2.85Š| ||
| 77 | T | 55.1 | Low | 67.4 | Low | 67 Ų | 67 | 84 Ų | 84 | 41% | 0.411 | 45% | 0.45 | S | S | . | . | trans | -77.7 | 148.8 | -179 | 58 | 0 | 0 | 0 | 0 | 110.3 | D75 V79 G80 S81 | D75-T77 PolarHBondContact O-N 3.24Å; D75-T77 WeakPolarHBondContact OD1-CG2 3.48Å; T77-V79 PolarHBondContact O-N 3.06Å; T77-G80 PolarHBondContact O-N 3.4Å; T77-G80 VanDerWaalsContact O-N 3.13Å; T77-S81 PolarHBondContact O-N 2.03Å; T77-S81 PolarHBondContact O-OG 3.4Å; T77-S81 VanDerWaalsContact O-OG 3.09Å | ||
| 78 | I | 51.5 | Low | 66.9 | Low | 137 Ų | 137 | 79.6 Ų | 79.6 | 70% | 0.703 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -56.6 | -37.9 | 179.5 | -65.9 | 167.5 | 0 | 0 | 0 | 110.3 | S81 I82 | I78-S81 WeakPolarHBondContact O-CB 3.26Å; I78-S81 PolarHBondContact O-N 2.93Å; I78-I82 HydrophobicContact CG2-CD1 3.71Å; I78-I82 HydrophobicContact CG2-CG1 4.45Å; I78-I82 WeakPolarHBondContact O-CD1 3.41Å; I78-I82 WeakPolarHBondContact O-CG1 3.35Å; I78-I82 PolarHBondContact O-N 2.72Å |
| 79 | V | 52.6 | Low | 66.8 | Low | 100 Ų | 100 | 70.9 Ų | 70.9 | 61% | 0.606 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -63.4 | -48.8 | 176.4 | 177.1 | 0 | 0 | 0 | 0 | 111.2 | T77 S81 I82 T83 | T77-V79 PolarHBondContact O-N 3.06Å; V79-S81 PolarHBondContact O-N 2.79Å; V79-I82 PolarHBondContact O-N 2.86Å; V79-T83 HydrophobicContact CG1-CG2 4.41Å; V79-T83 PolarHBondContact O-N 3.33Å; V79-T83 PolarHBondContact O-OG1 3.46Å |
| 80 | G | 52.6 | Low | 66.9 | Low | 7 Ų | 7 | 68.6 Ų | 68.6 | 7% | 0.072 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.4 | -29.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | T77 N84 T85 N86 | T77-G80 PolarHBondContact O-N 3.4Å; T77-G80 VanDerWaalsContact O-N 3.13Å; G80-N84 PolarHBondContact O-N 3.47Å; G80-N84 VanDerWaalsContact O-N 3.15Å; G80-T85 PolarHBondContact O-N 3.31Å; G80-N86 VanDerWaalsContact C-CG 3.4Å; G80-N86 WeakPolarHBondContact CA-OD1 3.4Å; G80-N86 PolarHBondContact O-N 3.06Å; G80-N86 PolarHBondContact O-OD1 2.9Å |
| 81 | S | 51 | Low | 66.9 | Low | 65 Ų | 65 | 69.3 Ų | 69.3 | 46% | 0.455 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -74.3 | -33.9 | 174.4 | -54 | 0 | 0 | 0 | 0 | 113.5 | T77 I78 V79 N86 | T77-S81 PolarHBondContact O-N 2.03Å; T77-S81 PolarHBondContact O-OG 3.4Å; T77-S81 VanDerWaalsContact O-OG 3.09Å; I78-S81 WeakPolarHBondContact O-CB 3.26Å; I78-S81 PolarHBondContact O-N 2.93Å; V79-S81 PolarHBondContact O-N 2.79Å; S81-N86 WeakPolarHBondContact CA-ND2 3.45Å; S81-N86 WeakPolarHBondContact CB-ND2 3.31Å; S81-N86 PolarHBondContact N-ND2 2.94Å; S81-N86 PolarHBondContact N-OD1 3.28Å; S81-N86 VanDerWaalsContact N-OD1 3.17Å; S81-N86 PolarHBondContact OG-ND2 2.65Å; S81-N86 PolarHBondContact OG-OD1 3.15Å |
| 82 | I | 49.9 | Very low | 66.8 | Low | 135 Ų | 135 | 69.6 Ų | 69.6 | 69% | 0.692 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -75.5 | -39.3 | 175.8 | -65.8 | 162.3 | 0 | 0 | 0 | 110.5 | I78 V79 | I78-I82 HydrophobicContact CG2-CD1 3.71Å; I78-I82 HydrophobicContact CG2-CG1 4.45Å; I78-I82 WeakPolarHBondContact O-CD1 3.41Å; I78-I82 WeakPolarHBondContact O-CG1 3.35Å; I78-I82 PolarHBondContact O-N 2.72Å; V79-I82 PolarHBondContact O-N 2.86Å |
| 83 | T | 54.6 | Low | 66 | Low | 79 Ų | 79 | 70.7 Ų | 70.7 | 49% | 0.485 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 0.8 | -177.8 | 55.4 | 0 | 0 | 0 | 0 | 114.3 | V79 T85 | V79-T83 HydrophobicContact CG1-CG2 4.41Å; V79-T83 PolarHBondContact O-N 3.33Å; V79-T83 PolarHBondContact O-OG1 3.46Å; T83-T85 WeakPolarHBondContact CB-OG1 3.2Å; T83-T85 PolarHBondContact O-N 3.01Å; T83-T85 VanDerWaalsContact O-N 3.17Å; T83-T85 PolarHBondContact OG1-OG1 2.76Å |
| 84 | N | 51.1 | Low | 65.2 | Low | 87 Ų | 87 | 68.8 Ų | 68.8 | 47% | 0.465 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 24.4 | -176.3 | -143.5 | -86.9 | 0 | 0 | 0 | 113.8 | Y62 G80 | Y62-N84 VanDerWaalsContact CD2-OD1 3.31Å; Y62-N84 WeakPolarHBondContact CD2-OD1 3.5Å; G80-N84 PolarHBondContact O-N 3.47Å; G80-N84 VanDerWaalsContact O-N 3.15Å |
| 85 | T | 57.2 | Low | 64.5 | Low | 77 Ų | 77 | 75.9 Ų | 75.9 | 47% | 0.472 | 41% | 0.414 | S | S | . | . | trans | -109.6 | 32.2 | 175.6 | 35.8 | 0 | 0 | 0 | 0 | 111.1 | G80 T83 F87 | G80-T85 PolarHBondContact O-N 3.31Å; T83-T85 WeakPolarHBondContact CB-OG1 3.2Å; T83-T85 PolarHBondContact O-N 3.01Å; T83-T85 VanDerWaalsContact O-N 3.17Å; T83-T85 PolarHBondContact OG1-OG1 2.76Å; T85-F87 HydrophobicContact CG2-CD2 4.02Å; T85-F87 HydrophobicContact CG2-CE2 3.61Å; T85-F87 HydrophobicContact CG2-CZ 4.42Å; T85-F87 PolarHBondContact O-N 2.88Å | ||
| 86 | N | 61.8 | Low | 64.1 | Low | 30 Ų | 30 | 73.4 Ų | 73.4 | 16% | 0.16 | 41% | 0.407 | C | S | . | . | trans | -69.4 | 56.4 | 161.3 | -74.6 | -34.2 | 0 | 0 | 0 | 110 | V54 D75 G80 S81 | V54-N86 HydrophobicContact CG2-CB 4.22Å; D75-N86 PolarHBondContact O-OD1 2.93Å; D75-N86 VanDerWaalsContact O-OD1 3.07Å; G80-N86 VanDerWaalsContact C-CG 3.4Å; G80-N86 WeakPolarHBondContact CA-OD1 3.4Å; G80-N86 PolarHBondContact O-N 3.06Å; G80-N86 PolarHBondContact O-OD1 2.9Å; S81-N86 WeakPolarHBondContact CA-ND2 3.45Å; S81-N86 WeakPolarHBondContact CB-ND2 3.31Å; S81-N86 PolarHBondContact N-ND2 2.94Å; S81-N86 PolarHBondContact N-OD1 3.28Å; S81-N86 VanDerWaalsContact N-OD1 3.17Å; S81-N86 PolarHBondContact OG-ND2 2.65Å; S81-N86 PolarHBondContact OG-OD1 3.15Å | ||
| 87 | F | 75.7 | Confident | 63.8 | Low | 57 Ų | 57 | 74.1 Ų | 74.1 | 25% | 0.25 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 136.2 | 170.8 | -56.9 | -44.9 | 0 | 0 | 0 | 108 | C52 K63 T85 | C52-F87 CarbonylContact O-C 3.49Å; C52-F87 WeakPolarHBondContact O-CA 3.35Å; K63-F87 HydrophobicContact CB-CD1 3.86Å; K63-F87 HydrophobicContact CB-CE1 3.88Å; K63-F87 HydrophobicContact CG-CD1 3.5Å; K63-F87 HydrophobicContact CG-CE1 3.42Å; K63-F87 VanDerWaalsContact CG-CE1 3.42Å; K63-F87 HydrophobicContact CG-CE2 4.47Å; K63-F87 HydrophobicContact CG-CG 4.12Å; K63-F87 HydrophobicContact CG-CZ 3.95Å; T85-F87 HydrophobicContact CG2-CD2 4.02Å; T85-F87 HydrophobicContact CG2-CE2 3.61Å; T85-F87 HydrophobicContact CG2-CZ 4.42Å; T85-F87 PolarHBondContact O-N 2.88Å |
| 88 | G | 83.4 | Confident | 63.2 | Low | 5 Ų | 5 | 82.9 Ų | 82.9 | 5% | 0.052 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | -172.6 | 174 | 0 | 0 | 0 | 0 | 0 | 110.7 | E51 C52 E73 | E51-G88 CarbonylContact C-O 3.56Å; E51-G88 VanDerWaalsContact CA-O 3.3Å; E51-G88 WeakPolarHBondContact CA-O 3.19Å; C52-G88 PolarHBondContact N-O 2.73Å; C52-G88 PolarHBondContact O-N 2.77Å; C52-G88 PolarHBondContact SG-O 2.83Å; C52-G88 VanDerWaalsContact SG-O 3.35Å; E73-G88 CarbonylContact O-C 3.47Å; E73-G88 WeakPolarHBondContact O-CA 3.24Å |
| 89 | I | 85.7 | Confident | 63.8 | Low | 61 Ų | 61 | 80.2 Ų | 80.2 | 31% | 0.313 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 137.7 | 170.7 | -58.2 | -61.2 | 0 | 0 | 0 | 108.5 | S50 E51 C52 E73 H91 | S50-I89 WeakPolarHBondContact O-CA 3.07Å; E51-I89 HydrophobicContact CG-CD1 4.15Å; C52-I89 VanDerWaalsContact SG-C 3.56Å; E73-I89 PolarHBondContact N-O 3.42Å; E73-I89 PolarHBondContact O-N 2.02Å; I89-H91 PolarHBondContact O-N 3.45Å |
| 90 | C | 89.5 | Confident | 64.4 | Low | 0 Ų | 0 | 79.1 Ų | 79.1 | 0% | 0 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 121.4 | 174.5 | -63.4 | 0 | 0 | 0 | 0 | 110.9 | A46 S47 N49 S50 C52 C66 L70 T71 | A46-C90 VanDerWaalsContact CB-SG 3.5Å; S47-C90 VanDerWaalsContact O-CB 3.26Å; S47-C90 WeakPolarHBondContact O-CB 3.38Å; N49-C90 PolarHBondContact N-O 3.48Å; S50-C90 PolarHBondContact O-N 3.29Å; C52-C90 WeakPolarHBondContact CB-SG 3.45Å; C52-C90 VanDerWaalsContact SG-SG 3.66Å; C66-C90 WeakPolarHBondContact CA-SG 3.35Å; C66-C90 HydrophobicContact CB-CB 3.86Å; C66-C90 WeakPolarHBondContact CB-SG 3.47Å; C66-C90 WeakPolarHBondContact SG-CA 3.02Å; C66-C90 WeakPolarHBondContact SG-CB 3.41Å; C66-C90 CovalentContact SG-SG 2.02Å; C66-C90 PolarHBondContact SG-SG 3.15Å; L70-C90 HydrophobicContact CB-CB 4.19Å; L70-C90 HydrophobicContact CD1-CB 3.97Å; T71-C90 WeakPolarHBondContact O-CA 3.49Å |
| 91 | H | 87.8 | Confident | 65 | Low | 50 Ų | 50 | 83.1 Ų | 83.1 | 23% | 0.231 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 151 | 172.3 | -71 | -58.1 | 0 | 0 | 0 | 111.1 | L70 T71 E73 I89 A93 | L70-H91 CarbonylContact C-O 3.5Å; L70-H91 VanDerWaalsContact CA-O 3.31Å; L70-H91 WeakPolarHBondContact CA-O 3.46Å; T71-H91 PolarHBondContact N-O 2.88Å; T71-H91 PolarHBondContact O-N 3.05Å; E73-H91 VanDerWaalsContact OE2-CB 3.3Å; E73-H91 WeakPolarHBondContact OE2-CB 3.14Å; E73-H91 IonicContact OE2-CD2 3.1Å; E73-H91 PolarHBondContact OE2-CD2 3.1Å; E73-H91 IonicContact OE2-CG 2.66Å; I89-H91 PolarHBondContact O-N 3.45Å; H91-A93 PolarHBondContact O-N 3.3Å |
| 92 | D | 85.4 | Confident | 65.9 | Low | 69 Ų | 69 | 84.2 Ų | 84.2 | 37% | 0.369 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 128.3 | 175.7 | -177 | -94.7 | 0 | 0 | 0 | 111.4 | L70 G94 R95 | L70-D92 HydrophobicContact CD2-CB 4.35Å; D92-G94 PolarHBondContact O-N 3.2Å; D92-G94 WeakPolarHBondContact OD1-CA 3.35Å; D92-G94 PolarHBondContact OD1-N 3.26Å; D92-R95 HydrophobicContact CB-CB 4.31Å; D92-R95 WeakPolarHBondContact O-CB 3.42Å; D92-R95 PolarHBondContact O-N 3.19Å; D92-R95 PolarHBondContact OD1-N 3.03Å |
| 93 | A | 71 | Confident | 66.9 | Low | 43 Ų | 43 | 81 Ų | 81 | 36% | 0.355 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -22.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | G69 H91 | G69-A93 WeakPolarHBondContact O-CB 3.36Å; G69-A93 PolarHBondContact O-N 2.9Å; H91-A93 PolarHBondContact O-N 3.3Å |
| 94 | G | 64.5 | Low | 67.7 | Low | 52 Ų | 52 | 81.1 Ų | 81.1 | 54% | 0.536 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -25.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | D92 | D92-G94 PolarHBondContact O-N 3.2Å; D92-G94 WeakPolarHBondContact OD1-CA 3.35Å; D92-G94 PolarHBondContact OD1-N 3.26Å |
| 95 | R | 56 | Low | 68.9 | Low | 174 Ų | 174 | 80.7 Ų | 80.7 | 66% | 0.657 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -77.8 | -26.4 | 178.1 | -159.6 | 175.1 | -177.1 | 172.2 | -0.9 | 113.3 | D92 K97 | D92-R95 HydrophobicContact CB-CB 4.31Å; D92-R95 WeakPolarHBondContact O-CB 3.42Å; D92-R95 PolarHBondContact O-N 3.19Å; D92-R95 PolarHBondContact OD1-N 3.03Å; R95-K97 PolarHBondContact O-N 3.29Å |
| 96 | S | 52.4 | Low | 69.8 | Low | 70 Ų | 70 | 81 Ų | 81 | 49% | 0.49 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -73.1 | -0 | 177.8 | -155.3 | 0 | 0 | 0 | 0 | 113.6 | ||
| 97 | K | 51 | Low | 70.4 | Confident | 192 Ų | 192 | 85.3 Ų | 85.3 | 84% | 0.835 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -103.8 | 7.9 | -178.1 | -74 | -89.8 | -176.5 | 177.1 | 0 | 114.3 | R95 | R95-K97 PolarHBondContact O-N 3.29Š|
| 98 | Q | 42.8 | Very low | 70 | Confident | 250 Ų | 250 | 87.8 Ų | 87.8 | 100% | 1.168 | 46% | 0.455 | S | S | * | . | trans | -114.4 | 0 | -178.2 | -158.3 | 155.3 | 104.3 | 0 | 0 | 112.1 |
Retrieved 98 of 98 residues in 573.4 ms
(Link to these results)