| 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 | 39.8 | Very low | 57.4 | Low | 239 Ų | 239 | 141.7 Ų | 141.7 | 100% | 1.177 | 81% | 0.807 | S | S | * | * | 0 | 125.2 | 0 | -70.2 | 143.6 | 175.2 | 0 | 0 | 107.2 | |||||
| 2 | A | 44.3 | Very low | 58.3 | Low | 101 Ų | 101 | 149.7 Ų | 149.7 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | trans | -107 | 100 | -176.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | G4 | A2-G4 VanDerWaalsContact C-N 3.34Å; A2-G4 PolarHBondContact O-N 2.97Å | ||
| 3 | N | 51 | Low | 58.2 | Low | 147 Ų | 147 | 142.6 Ų | 142.6 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | trans | -81.5 | 84.2 | 178.3 | -68 | -2.1 | 0 | 0 | 0 | 108.9 | C5 | N3-C5 PolarHBondContact O-N 3.45Š| ||
| 4 | G | 50.2 | Low | 58.2 | Low | 67 Ų | 67 | 142.8 Ų | 142.8 | 69% | 0.691 | 80% | 0.804 | S | S | * | * | trans | -70 | 89.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A2 K6 | A2-G4 VanDerWaalsContact C-N 3.34Å; A2-G4 PolarHBondContact O-N 2.97Å; G4-K6 PolarHBondContact O-N 3.01Å; G4-K6 VanDerWaalsContact O-N 3.09Å | ||
| 5 | C | 58 | Low | 58.2 | Low | 123 Ų | 123 | 137.7 Ų | 137.7 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | trans | -60.2 | 109.7 | 170.1 | -66.2 | 0 | 0 | 0 | 0 | 109.7 | N3 E7 | N3-C5 PolarHBondContact O-N 3.45Å; C5-E7 PolarHBondContact O-N 2.87Å | ||
| 6 | K | 62.2 | Low | 58 | Low | 197 Ų | 197 | 140.4 Ų | 140.4 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | trans | -80.8 | 95.6 | 172.3 | -66.5 | -177.1 | -179.1 | -178.9 | 0 | 108.6 | G4 V8 | G4-K6 PolarHBondContact O-N 3.01Å; G4-K6 VanDerWaalsContact O-N 3.09Å; K6-V8 PolarHBondContact O-N 2.66Å | ||
| 7 | E | 65.7 | Low | 57.8 | Low | 157 Ų | 157 | 138.1 Ų | 138.1 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | -68.1 | 111.1 | 173.3 | -168.5 | 172.1 | -146.3 | 0 | 0 | 109.7 | C5 L9 | C5-E7 PolarHBondContact O-N 2.87Å; E7-L9 VanDerWaalsContact C-N 3.33Å; E7-L9 HydrophobicContact CG-CD2 3.8Å; E7-L9 HydrophobicContact CG-CG 4.02Å; E7-L9 PolarHBondContact O-N 3.43Å; E7-L9 VanDerWaalsContact O-N 3.08Å | ||
| 8 | V | 69.1 | Low | 57.8 | Low | 118 Ų | 118 | 136.6 Ų | 136.6 | 72% | 0.715 | 78% | 0.783 | S | S | * | * | trans | -85.2 | 80.7 | -179.6 | -176.5 | 0 | 0 | 0 | 0 | 108.5 | K6 F10 | K6-V8 PolarHBondContact O-N 2.66Å; V8-F10 PolarHBondContact O-N 3.47Å | ||
| 9 | L | 64.4 | Low | 57.7 | Low | 131 Ų | 131 | 135.6 Ų | 135.6 | 69% | 0.686 | 78% | 0.775 | S | S | * | * | trans | -66.3 | -13.3 | -176.1 | -69.7 | 171.1 | 0 | 0 | 0 | 114.6 | E7 | E7-L9 VanDerWaalsContact C-N 3.33Å; E7-L9 HydrophobicContact CG-CD2 3.8Å; E7-L9 HydrophobicContact CG-CG 4.02Å; E7-L9 PolarHBondContact O-N 3.43Å; E7-L9 VanDerWaalsContact O-N 3.08Å | ||
| 10 | F | 60.5 | Low | 57.7 | Low | 190 Ų | 190 | 132.1 Ų | 132.1 | 83% | 0.833 | 76% | 0.759 | S | S | * | * | trans | -138.1 | 115.7 | 175.2 | -105.7 | -95.1 | 0 | 0 | 0 | 111.5 | V8 | V8-F10 PolarHBondContact O-N 3.47Š| ||
| 11 | A | 66.1 | Low | 58.1 | Low | 89 Ų | 89 | 132.1 Ų | 132.1 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | trans | -96 | 118.9 | 159.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | G13 | A11-G13 PolarHBondContact O-N 2.69Š| ||
| 12 | R | 68.7 | Low | 59.5 | Low | 237 Ų | 237 | 126.6 Ų | 126.6 | 89% | 0.894 | 73% | 0.73 | S | S | * | * | trans | -70.8 | 96.7 | 173.2 | -171.8 | 170.1 | 100.7 | 98.9 | -6.5 | 108.5 | T14 | R12-T14 PolarHBondContact O-N 2.81Š| ||
| 13 | G | 57.1 | Low | 61.2 | Low | 58 Ų | 58 | 133.3 Ų | 133.3 | 60% | 0.598 | 73% | 0.734 | S | S | * | * | trans | -54.4 | 138.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.1 | A11 G15 | A11-G13 PolarHBondContact O-N 2.69Å; G13-G15 PolarHBondContact O-N 2.97Å | ||
| 14 | T | 57.3 | Low | 62.9 | Low | 145 Ų | 145 | 129.1 Ų | 129.1 | 89% | 0.89 | 71% | 0.712 | S | S | * | * | trans | -77 | 50.7 | 174 | 51.7 | 0 | 0 | 0 | 0 | 111 | R12 Q16 | R12-T14 PolarHBondContact O-N 2.81Å; T14-Q16 PolarHBondContact O-N 2.95Å | ||
| 15 | G | 58.3 | Low | 64.6 | Low | 66 Ų | 66 | 130.9 Ų | 130.9 | 68% | 0.68 | 71% | 0.705 | S | S | * | * | trans | -72.9 | 98.8 | 163 | 0 | 0 | 0 | 0 | 0 | 108.1 | G13 S17 | G13-G15 PolarHBondContact O-N 2.97Å; G15-S17 PolarHBondContact O-N 3.33Å | ||
| 16 | Q | 55.5 | Low | 66.2 | Low | 182 Ų | 182 | 127.4 Ų | 127.4 | 85% | 0.85 | 68% | 0.681 | S | S | * | * | trans | -71.2 | 86.9 | 149.4 | -75.3 | 172.9 | 102.5 | 0 | 0 | 105.7 | T14 D18 | T14-Q16 PolarHBondContact O-N 2.95Å; Q16-D18 VanDerWaalsContact C-N 3.25Å; Q16-D18 PolarHBondContact O-N 3.29Å; Q16-D18 VanDerWaalsContact O-N 3.1Å | ||
| 17 | S | 54.5 | Low | 67.4 | Low | 101 Ų | 101 | 121.2 Ų | 121.2 | 71% | 0.706 | 67% | 0.666 | S | S | * | * | trans | -68.6 | 95 | 157.3 | 49.7 | 0 | 0 | 0 | 0 | 105.8 | G15 D19 | G15-S17 PolarHBondContact O-N 3.33Å; S17-D19 PolarHBondContact O-N 2.97Å | ||
| 18 | D | 57.3 | Low | 68.6 | Low | 111 Ų | 111 | 120 Ų | 120 | 59% | 0.594 | 66% | 0.664 | S | S | * | * | trans | -74.6 | 74 | 177.6 | -131.8 | 11.2 | 0 | 0 | 0 | 107.7 | Q16 S20 D21 | Q16-D18 VanDerWaalsContact C-N 3.25Å; Q16-D18 PolarHBondContact O-N 3.29Å; Q16-D18 VanDerWaalsContact O-N 3.1Å; D18-S20 PolarHBondContact O-N 2.82Å; D18-S20 PolarHBondContact O-OG 3.3Å; D18-D21 PolarHBondContact O-N 3.36Å | ||
| 19 | D | 56.6 | Low | 69.8 | Low | 117 Ų | 117 | 118.2 Ų | 118.2 | 63% | 0.626 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -14 | -172.5 | -153.1 | 44.1 | 0 | 0 | 0 | 112.4 | S17 D21 I22 | S17-D19 PolarHBondContact O-N 2.97Å; D19-D21 PolarHBondContact O-N 2.99Å; D19-I22 WeakPolarHBondContact O-CB 3.38Å; D19-I22 PolarHBondContact O-N 3.11Å; D19-I22 VanDerWaalsContact OD1-CD1 3.29Å; D19-I22 WeakPolarHBondContact OD1-CD1 3.49Å |
| 20 | S | 58.3 | Low | 71.2 | Confident | 65 Ų | 65 | 118.1 Ų | 118.1 | 46% | 0.455 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -50.6 | -37.5 | 163.7 | 44.5 | 0 | 0 | 0 | 0 | 113.6 | D18 I22 W23 D24 | D18-S20 PolarHBondContact O-N 2.82Å; D18-S20 PolarHBondContact O-OG 3.3Å; S20-I22 PolarHBondContact O-N 3.37Å; S20-W23 PolarHBondContact O-N 2.89Å; S20-W23 VanDerWaalsContact O-N 3.12Å; S20-D24 VanDerWaalsContact O-CB 3.32Å; S20-D24 WeakPolarHBondContact O-CB 3.15Å; S20-D24 PolarHBondContact O-N 2.68Å |
| 21 | D | 65.9 | Low | 72.9 | Confident | 134 Ų | 134 | 111.8 Ų | 111.8 | 72% | 0.717 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -61.7 | -17.5 | -179.5 | -90.9 | 9.9 | 0 | 0 | 0 | 112.9 | D18 D19 | D18-D21 PolarHBondContact O-N 3.36Å; D19-D21 PolarHBondContact O-N 2.99Å |
| 22 | I | 68.1 | Low | 74.3 | Confident | 122 Ų | 122 | 115.1 Ų | 115.1 | 63% | 0.626 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -76.4 | -35.8 | 177.8 | -56.4 | -170 | 0 | 0 | 0 | 111.5 | D19 S20 | D19-I22 WeakPolarHBondContact O-CB 3.38Å; D19-I22 PolarHBondContact O-N 3.11Å; D19-I22 VanDerWaalsContact OD1-CD1 3.29Å; D19-I22 WeakPolarHBondContact OD1-CD1 3.49Å; S20-I22 PolarHBondContact O-N 3.37Å |
| 23 | W | 80.3 | Confident | 75.7 | Confident | 242 Ų | 242 | 108.4 Ų | 108.4 | 92% | 0.917 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -120.4 | 8.1 | -176.8 | -68 | -11.2 | 0 | 0 | 0 | 114.5 | S20 D25 | S20-W23 PolarHBondContact O-N 2.89Å; S20-W23 VanDerWaalsContact O-N 3.12Å; W23-D25 PolarHBondContact O-N 3.33Å |
| 24 | D | 86.1 | Confident | 77.5 | Confident | 60 Ų | 60 | 113.5 Ų | 113.5 | 32% | 0.321 | 61% | 0.609 | S | S | . | * | trans | -69.1 | 97.4 | 175.2 | 179.5 | 33.2 | 0 | 0 | 0 | 112.3 | S20 T26 A27 | S20-D24 VanDerWaalsContact O-CB 3.32Å; S20-D24 WeakPolarHBondContact O-CB 3.15Å; S20-D24 PolarHBondContact O-N 2.68Å; D24-T26 PolarHBondContact O-N 2.68Å; D24-T26 VanDerWaalsContact O-N 3.13Å; D24-T26 WeakPolarHBondContact OD1-CB 3.4Å; D24-T26 PolarHBondContact OD1-N 2.81Å; D24-T26 PolarHBondContact OD1-OG1 2.93Å; D24-T26 VanDerWaalsContact OD2-CB 3.29Å; D24-T26 WeakPolarHBondContact OD2-CB 3.2Å; D24-A27 PolarHBondContact O-N 2.77Å | ||
| 25 | D | 87 | Confident | 79.2 | Confident | 103 Ų | 103 | 109 Ų | 109 | 55% | 0.551 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -11 | 176 | 80.1 | -27.8 | 0 | 0 | 0 | 113.3 | W23 A27 L28 I29 | W23-D25 PolarHBondContact O-N 3.33Å; D25-A27 PolarHBondContact O-N 2.98Å; D25-A27 VanDerWaalsContact O-N 3.11Å; D25-L28 WeakPolarHBondContact O-CA 3.45Å; D25-L28 WeakPolarHBondContact O-CB 3.36Å; D25-L28 PolarHBondContact O-N 2.74Å; D25-I29 WeakPolarHBondContact O-CG1 3.29Å; D25-I29 PolarHBondContact O-N 3.29Å |
| 26 | T | 91.4 | Very high | 80.9 | Confident | 51 Ų | 51 | 109 Ų | 109 | 31% | 0.313 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -56.3 | -29.6 | 173.7 | -46.4 | 0 | 0 | 0 | 0 | 111.7 | D24 K30 | D24-T26 PolarHBondContact O-N 2.68Å; D24-T26 VanDerWaalsContact O-N 3.13Å; D24-T26 WeakPolarHBondContact OD1-CB 3.4Å; D24-T26 PolarHBondContact OD1-N 2.81Å; D24-T26 PolarHBondContact OD1-OG1 2.93Å; D24-T26 VanDerWaalsContact OD2-CB 3.29Å; D24-T26 WeakPolarHBondContact OD2-CB 3.2Å; T26-K30 HydrophobicContact CG2-CD 3.89Å; T26-K30 HydrophobicContact CG2-CG 4.12Å; T26-K30 VanDerWaalsContact CG2-NZ 3.27Å; T26-K30 VanDerWaalsContact O-CB 3.23Å; T26-K30 WeakPolarHBondContact O-CB 3.28Å; T26-K30 WeakPolarHBondContact O-CD 3.36Å; T26-K30 WeakPolarHBondContact O-CG 3.26Å; T26-K30 PolarHBondContact O-N 2.81Å |
| 27 | A | 87.4 | Confident | 82.7 | Confident | 67 Ų | 67 | 102.8 Ų | 102.8 | 55% | 0.554 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.5 | -42.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D24 D25 A31 | D24-A27 PolarHBondContact O-N 2.77Å; D25-A27 PolarHBondContact O-N 2.98Å; D25-A27 VanDerWaalsContact O-N 3.11Å; A27-A31 WeakPolarHBondContact O-CB 3.24Å; A27-A31 PolarHBondContact O-N 3.23Å; A27-A31 VanDerWaalsContact O-N 3.09Å |
| 28 | L | 90.8 | Very high | 84.3 | Confident | 132 Ų | 132 | 101.3 Ų | 101.3 | 69% | 0.691 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -68.7 | -43.9 | 176.8 | -173.8 | 70.6 | 0 | 0 | 0 | 111.1 | D25 A31 Y32 | D25-L28 WeakPolarHBondContact O-CA 3.45Å; D25-L28 WeakPolarHBondContact O-CB 3.36Å; D25-L28 PolarHBondContact O-N 2.74Å; L28-A31 WeakPolarHBondContact O-CB 3.3Å; L28-A31 PolarHBondContact O-N 2.85Å; L28-Y32 PolarHBondContact O-N 3.3Å |
| 29 | I | 94.3 | Very high | 85.7 | Confident | 79 Ų | 79 | 102.5 Ų | 102.5 | 41% | 0.405 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.8 | -49.7 | 177.6 | -62.8 | 167.4 | 0 | 0 | 0 | 110.4 | D25 A31 Y32 D33 | D25-I29 WeakPolarHBondContact O-CG1 3.29Å; D25-I29 PolarHBondContact O-N 3.29Å; I29-A31 VanDerWaalsContact C-N 3.27Å; I29-A31 PolarHBondContact O-N 2.85Å; I29-Y32 PolarHBondContact O-N 2.79Å; I29-Y32 VanDerWaalsContact O-N 3.14Å; I29-D33 PolarHBondContact O-N 3.13Å |
| 30 | K | 93.9 | Very high | 87.2 | Confident | 129 Ų | 129 | 104.3 Ų | 104.3 | 56% | 0.561 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -57.8 | -37.6 | 175.1 | -75.4 | 163 | -178.5 | 146.5 | 0 | 112 | T26 K34 | T26-K30 HydrophobicContact CG2-CD 3.89Å; T26-K30 HydrophobicContact CG2-CG 4.12Å; T26-K30 VanDerWaalsContact CG2-NZ 3.27Å; T26-K30 VanDerWaalsContact O-CB 3.23Å; T26-K30 WeakPolarHBondContact O-CB 3.28Å; T26-K30 WeakPolarHBondContact O-CD 3.36Å; T26-K30 WeakPolarHBondContact O-CG 3.26Å; T26-K30 PolarHBondContact O-N 2.81Å; K30-K34 WeakPolarHBondContact O-CB 3.22Å; K30-K34 PolarHBondContact O-N 3.05Å |
| 31 | A | 95.6 | Very high | 88.4 | Confident | 57 Ų | 57 | 105.8 Ų | 105.8 | 47% | 0.471 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.5 | -42.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A27 L28 I29 A35 | A27-A31 WeakPolarHBondContact O-CB 3.24Å; A27-A31 PolarHBondContact O-N 3.23Å; A27-A31 VanDerWaalsContact O-N 3.09Å; L28-A31 WeakPolarHBondContact O-CB 3.3Å; L28-A31 PolarHBondContact O-N 2.85Å; I29-A31 VanDerWaalsContact C-N 3.27Å; I29-A31 PolarHBondContact O-N 2.85Å; A31-A35 WeakPolarHBondContact O-CB 3.44Å; A31-A35 PolarHBondContact O-N 2.84Å |
| 32 | Y | 96.3 | Very high | 89.1 | Confident | 160 Ų | 160 | 103 Ų | 103 | 63% | 0.627 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.9 | -51.1 | 174.7 | -179.3 | -96.3 | 0 | 0 | 0 | 111.9 | L28 I29 K34 A35 V36 | L28-Y32 PolarHBondContact O-N 3.3Å; I29-Y32 PolarHBondContact O-N 2.79Å; I29-Y32 VanDerWaalsContact O-N 3.14Å; Y32-K34 VanDerWaalsContact C-N 3.3Å; Y32-K34 PolarHBondContact O-N 3.29Å; Y32-A35 WeakPolarHBondContact O-CA 3.46Å; Y32-A35 WeakPolarHBondContact O-CB 3.35Å; Y32-A35 PolarHBondContact O-N 3.13Å; Y32-V36 HydrophobicContact CD1-CG2 4.02Å; Y32-V36 HydrophobicContact CD2-CG2 4.49Å; Y32-V36 HydrophobicContact CE1-CG2 3.55Å; Y32-V36 HydrophobicContact CE2-CG2 4.07Å; Y32-V36 HydrophobicContact CG-CG2 4.47Å; Y32-V36 WeakPolarHBondContact O-CG2 3.24Å; Y32-V36 PolarHBondContact O-N 3.23Å |
| 33 | D | 96.8 | Very high | 89.6 | Confident | 96 Ų | 96 | 103.6 Ų | 103.6 | 51% | 0.513 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -59.6 | -40.5 | 179.2 | -79 | -18.8 | 0 | 0 | 0 | 111.9 | I29 A35 V36 A37 | I29-D33 PolarHBondContact O-N 3.13Å; D33-A35 VanDerWaalsContact C-N 3.34Å; D33-A35 PolarHBondContact O-N 2.55Å; D33-V36 PolarHBondContact O-N 2.86Å; D33-A37 WeakPolarHBondContact O-CB 3.43Å; D33-A37 PolarHBondContact O-N 3.08Å |
| 34 | K | 94.9 | Very high | 89.5 | Confident | 164 Ų | 164 | 100.5 Ų | 100.5 | 71% | 0.713 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.9 | -36.4 | 174.2 | -176.3 | 178.6 | 179.4 | -178.6 | 0 | 112.5 | K30 Y32 S38 | K30-K34 WeakPolarHBondContact O-CB 3.22Å; K30-K34 PolarHBondContact O-N 3.05Å; Y32-K34 VanDerWaalsContact C-N 3.3Å; Y32-K34 PolarHBondContact O-N 3.29Å; K34-S38 WeakPolarHBondContact O-CB 3.44Å; K34-S38 PolarHBondContact O-N 3.27Å; K34-S38 PolarHBondContact O-OG 3.15Å |
| 35 | A | 93.6 | Very high | 88.2 | Confident | 52 Ų | 52 | 100.7 Ų | 100.7 | 43% | 0.43 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -71.8 | -43.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A31 Y32 D33 S38 F39 | A31-A35 WeakPolarHBondContact O-CB 3.44Å; A31-A35 PolarHBondContact O-N 2.84Å; Y32-A35 WeakPolarHBondContact O-CA 3.46Å; Y32-A35 WeakPolarHBondContact O-CB 3.35Å; Y32-A35 PolarHBondContact O-N 3.13Å; D33-A35 VanDerWaalsContact C-N 3.34Å; D33-A35 PolarHBondContact O-N 2.55Å; A35-S38 PolarHBondContact O-N 3Å; A35-S38 PolarHBondContact O-OG 3.36Å; A35-S38 VanDerWaalsContact O-OG 3.07Å; A35-F39 WeakPolarHBondContact O-CB 3.47Å; A35-F39 PolarHBondContact O-N 3.04Å |
| 36 | V | 94.7 | Very high | 86.8 | Confident | 65 Ų | 65 | 105.1 Ų | 105.1 | 39% | 0.394 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.2 | -41.7 | 175 | 173.5 | 0 | 0 | 0 | 0 | 111 | Y32 D33 K40 | Y32-V36 HydrophobicContact CD1-CG2 4.02Å; Y32-V36 HydrophobicContact CD2-CG2 4.49Å; Y32-V36 HydrophobicContact CE1-CG2 3.55Å; Y32-V36 HydrophobicContact CE2-CG2 4.07Å; Y32-V36 HydrophobicContact CG-CG2 4.47Å; Y32-V36 WeakPolarHBondContact O-CG2 3.24Å; Y32-V36 PolarHBondContact O-N 3.23Å; D33-V36 PolarHBondContact O-N 2.86Å; V36-K40 WeakPolarHBondContact O-CB 3.32Å; V36-K40 PolarHBondContact O-N 2.91Å |
| 37 | A | 92.4 | Very high | 85 | Confident | 52 Ų | 52 | 109.7 Ų | 109.7 | 43% | 0.43 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62.2 | -46.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | D33 K40 T41 | D33-A37 WeakPolarHBondContact O-CB 3.43Å; D33-A37 PolarHBondContact O-N 3.08Å; A37-K40 PolarHBondContact O-N 3.43Å; A37-T41 WeakPolarHBondContact O-CG2 3.39Å; A37-T41 PolarHBondContact O-N 2.91Å; A37-T41 PolarHBondContact O-OG1 3.25Å |
| 38 | S | 88.4 | Confident | 82.7 | Confident | 69 Ų | 69 | 114.3 Ų | 114.3 | 48% | 0.483 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -68 | -35.8 | 179.7 | 67.1 | 0 | 0 | 0 | 0 | 113.1 | K34 A35 T41 A42 | K34-S38 WeakPolarHBondContact O-CB 3.44Å; K34-S38 PolarHBondContact O-N 3.27Å; K34-S38 PolarHBondContact O-OG 3.15Å; A35-S38 PolarHBondContact O-N 3Å; A35-S38 PolarHBondContact O-OG 3.36Å; A35-S38 VanDerWaalsContact O-OG 3.07Å; S38-T41 PolarHBondContact O-OG1 3.4Å; S38-T41 VanDerWaalsContact O-OG1 3.11Å; S38-A42 VanDerWaalsContact O-CB 3.23Å; S38-A42 WeakPolarHBondContact O-CB 3.09Å; S38-A42 PolarHBondContact O-N 3.13Å |
| 39 | F | 87.7 | Confident | 80.4 | Confident | 137 Ų | 137 | 112.1 Ų | 112.1 | 60% | 0.601 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -66.6 | -40.7 | 171.1 | -173.2 | -109.6 | 0 | 0 | 0 | 111.8 | A35 A42 L43 | A35-F39 WeakPolarHBondContact O-CB 3.47Å; A35-F39 PolarHBondContact O-N 3.04Å; F39-A42 PolarHBondContact O-N 3.09Å; F39-L43 HydrophobicContact CD1-CD1 3.93Å; F39-L43 HydrophobicContact CE1-CD1 3.41Å; F39-L43 VanDerWaalsContact CE1-CD1 3.41Å; F39-L43 HydrophobicContact CE1-CG 4.28Å; F39-L43 HydrophobicContact CE2-CD1 4.4Å; F39-L43 HydrophobicContact CZ-CD1 3.69Å; F39-L43 HydrophobicContact CZ-CG 4.25Å; F39-L43 WeakPolarHBondContact O-CB 3.39Å; F39-L43 WeakPolarHBondContact O-CG 3.21Å; F39-L43 PolarHBondContact O-N 3.45Å |
| 40 | K | 86.6 | Confident | 77.7 | Confident | 155 Ų | 155 | 117.2 Ų | 117.2 | 67% | 0.674 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -68.1 | -36.5 | 178.1 | -171.6 | 175.7 | -178.2 | 179.9 | 0 | 112.5 | V36 A37 K44 | V36-K40 WeakPolarHBondContact O-CB 3.32Å; V36-K40 PolarHBondContact O-N 2.91Å; A37-K40 PolarHBondContact O-N 3.43Å; K40-K44 WeakPolarHBondContact O-CB 3.27Å; K40-K44 PolarHBondContact O-N 2.89Å |
| 41 | T | 84.3 | Confident | 74.7 | Confident | 95 Ų | 95 | 114.7 Ų | 114.7 | 58% | 0.583 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -72.7 | -40.5 | 172.6 | 54.5 | 0 | 0 | 0 | 0 | 111.6 | A37 S38 L43 K44 G45 | A37-T41 WeakPolarHBondContact O-CG2 3.39Å; A37-T41 PolarHBondContact O-N 2.91Å; A37-T41 PolarHBondContact O-OG1 3.25Å; S38-T41 PolarHBondContact O-OG1 3.4Å; S38-T41 VanDerWaalsContact O-OG1 3.11Å; T41-L43 VanDerWaalsContact C-N 3.27Å; T41-L43 PolarHBondContact O-N 3.39Å; T41-K44 CarbonylContact O-C 3.58Å; T41-K44 PolarHBondContact O-N 3.28Å; T41-G45 PolarHBondContact O-N 3.44Å |
| 42 | A | 80 | Confident | 72 | Confident | 77 Ų | 77 | 116.3 Ų | 116.3 | 64% | 0.636 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -60.8 | -33 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S38 F39 | S38-A42 VanDerWaalsContact O-CB 3.23Å; S38-A42 WeakPolarHBondContact O-CB 3.09Å; S38-A42 PolarHBondContact O-N 3.13Å; F39-A42 PolarHBondContact O-N 3.09Å |
| 43 | L | 79 | Confident | 69.1 | Low | 133 Ų | 133 | 117.4 Ų | 117.4 | 70% | 0.696 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -7.9 | 172 | -71.9 | -177.8 | 0 | 0 | 0 | 114.6 | F39 T41 | F39-L43 HydrophobicContact CD1-CD1 3.93Å; F39-L43 HydrophobicContact CE1-CD1 3.41Å; F39-L43 VanDerWaalsContact CE1-CD1 3.41Å; F39-L43 HydrophobicContact CE1-CG 4.28Å; F39-L43 HydrophobicContact CE2-CD1 4.4Å; F39-L43 HydrophobicContact CZ-CD1 3.69Å; F39-L43 HydrophobicContact CZ-CG 4.25Å; F39-L43 WeakPolarHBondContact O-CB 3.39Å; F39-L43 WeakPolarHBondContact O-CG 3.21Å; F39-L43 PolarHBondContact O-N 3.45Å; T41-L43 VanDerWaalsContact C-N 3.27Å; T41-L43 PolarHBondContact O-N 3.39Å |
| 44 | K | 79 | Confident | 66.1 | Low | 178 Ų | 178 | 121.5 Ų | 121.5 | 77% | 0.774 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110 | -23 | -176.6 | -167.7 | 62.6 | 170.8 | 172.2 | 0 | 113 | K40 T41 E46 | K40-K44 WeakPolarHBondContact O-CB 3.27Å; K40-K44 PolarHBondContact O-N 2.89Å; T41-K44 CarbonylContact O-C 3.58Å; T41-K44 PolarHBondContact O-N 3.28Å; K44-E46 PolarHBondContact O-N 3.44Å |
| 45 | G | 57.8 | Low | 63.1 | Low | 63 Ų | 63 | 120 Ų | 120 | 65% | 0.649 | 66% | 0.659 | S | S | * | * | trans | -87.7 | 58.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | T41 | T41-G45 PolarHBondContact O-N 3.44Š| ||
| 46 | E | 57.8 | Low | 60.4 | Low | 197 Ų | 197 | 125.7 Ų | 125.7 | 92% | 0.921 | 68% | 0.677 | S | S | * | * | trans | -118.4 | 52.8 | 156.1 | -163.1 | 177.7 | -169.3 | 0 | 0 | 109.4 | K44 | K44-E46 PolarHBondContact O-N 3.44Š| ||
| 47 | D | 53.2 | Low | 58 | Low | 146 Ų | 146 | 128.1 Ų | 128.1 | 78% | 0.781 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -153.5 | 145.1 | 158.2 | -151.4 | -6.1 | 0 | 0 | 0 | 110.6 | ||
| 48 | E | 40.7 | Very low | 55.3 | Low | 164 Ų | 164 | 128.5 Ų | 128.5 | 77% | 0.766 | 70% | 0.703 | S | S | * | * | trans | 54.5 | 157.6 | -174 | -77.6 | -56.4 | 154.7 | 0 | 0 | 120.2 | ||||
| 49 | S | 41.8 | Very low | 52.9 | Low | 87 Ų | 87 | 135.4 Ų | 135.4 | 61% | 0.608 | 73% | 0.725 | S | S | * | * | trans | -147.2 | 173.5 | -141.7 | 70.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 50 | H | 36.4 | Very low | 50.9 | Low | 185 Ų | 185 | 138.9 Ų | 138.9 | 86% | 0.856 | 74% | 0.739 | S | S | * | * | trans | 107.8 | 127.4 | 173.8 | -75.4 | -99.4 | 0 | 0 | 0 | 116.5 | ||||
| 51 | A | 30.9 | Very low | 49.1 | Very low | 76 Ų | 76 | 143.3 Ų | 143.3 | 63% | 0.628 | 75% | 0.752 | S | S | * | * | cis | -158.1 | 143.7 | -3.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 52 | S | 39 | Very low | 47.4 | Very low | 91 Ų | 91 | 148.5 Ų | 148.5 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | trans | 59.6 | 145.4 | 155.7 | -63 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 53 | K | 37 | Very low | 45.5 | Very low | 184 Ų | 184 | 151.9 Ų | 151.9 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | cis | -169.2 | 150.8 | -8.9 | -91.1 | 154.1 | -168.9 | 121.1 | 0 | 102.7 | ||||
| 54 | K | 32.1 | Very low | 44.1 | Very low | 182 Ų | 182 | 151.7 Ų | 151.7 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | cis | -160.5 | 173.6 | 2.2 | -123.8 | 178.9 | 157.7 | -162.7 | 0 | 105 | ||||
| 55 | N | 32 | Very low | 42.5 | Very low | 131 Ų | 131 | 152 Ų | 152 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | cis | -146.1 | -166.4 | 20.2 | -97.8 | -43.5 | 0 | 0 | 0 | 109.7 | ||||
| 56 | Q | 36.7 | Very low | 41.8 | Very low | 172 Ų | 172 | 157.3 Ų | 157.3 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -128.8 | -179.3 | 169.2 | -80.6 | -93.5 | 7.5 | 0 | 0 | 107.8 | ||||
| 57 | P | 44.8 | Very low | 40.9 | Very low | 116 Ų | 116 | 154.1 Ų | 154.1 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | cis | -136.5 | 145 | 4.7 | 36.5 | -16.6 | 0 | 0 | 0 | 118.4 | ||||
| 58 | G | 35.2 | Very low | 40.7 | Very low | 61 Ų | 61 | 154.5 Ų | 154.5 | 63% | 0.629 | 77% | 0.766 | S | S | * | * | 61 | 138.1 | 123.5 | 0 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 59 | K | 39.3 | Very low | 40.8 | Very low | 214 Ų | 214 | 151.9 Ų | 151.9 | 93% | 0.93 | 77% | 0.766 | S | S | * | * | -162.9 | 134.8 | 119.4 | -106 | 160.5 | -170.5 | 173.4 | 0 | 112.4 | |||||
| 60 | K | 44.3 | Very low | 41.4 | Very low | 209 Ų | 209 | 158 Ų | 158 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | trans | -73.4 | 128.9 | 176.1 | -65.3 | 176.4 | 178.3 | 175.6 | 0 | 110.8 | ||||
| 61 | R | 50 | Low | 41.9 | Very low | 248 Ų | 248 | 157.2 Ų | 157.2 | 94% | 0.936 | 77% | 0.77 | S | S | * | * | trans | -133.3 | 101 | 150.3 | -77.9 | -166 | 71.6 | 149.9 | -0.7 | 110.8 | ||||
| 62 | K | 47.4 | Very low | 42.8 | Very low | 204 Ų | 204 | 164.9 Ų | 164.9 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | trans | -65.5 | 126.9 | 167.1 | 177.1 | -178.7 | -178.2 | 178.5 | 0 | 108.9 | ||||
| 63 | N | 41.1 | Very low | 42.7 | Very low | 149 Ų | 149 | 165.1 Ų | 165.1 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | -142.3 | 134.5 | 150.6 | -160 | 8 | 0 | 0 | 0 | 110.1 | ||||
| 64 | N | 48.6 | Very low | 43.4 | Very low | 128 Ų | 128 | 164 Ų | 164 | 68% | 0.684 | 78% | 0.783 | S | S | * | * | trans | -108.4 | 105.9 | -179.3 | 178.5 | 5.4 | 0 | 0 | 0 | 108 | ||||
| 65 | K | 45.3 | Very low | 44.2 | Very low | 186 Ų | 186 | 158.3 Ų | 158.3 | 81% | 0.809 | 77% | 0.77 | S | S | * | * | trans | -126.5 | 72.8 | 174.7 | -162.8 | 74.3 | -177.1 | -178.4 | 0 | 110.5 | N67 | K65-N67 PolarHBondContact O-N 2.9Š| ||
| 66 | K | 44.2 | Very low | 45.3 | Very low | 174 Ų | 174 | 156.9 Ų | 156.9 | 76% | 0.757 | 77% | 0.768 | S | S | * | * | trans | -58.2 | 124 | 171.9 | -170.5 | -179.7 | -173.2 | -177.3 | 0 | 110.7 | ||||
| 67 | N | 39.1 | Very low | 46.1 | Very low | 129 Ų | 129 | 152.6 Ų | 152.6 | 69% | 0.69 | 76% | 0.755 | S | S | * | * | trans | 63.3 | 155.3 | 168.2 | -60.2 | 6 | 0 | 0 | 0 | 116.4 | K65 | K65-N67 PolarHBondContact O-N 2.9Š| ||
| 68 | Q | 47.9 | Very low | 46.8 | Very low | 155 Ų | 155 | 155.1 Ų | 155.1 | 72% | 0.724 | 76% | 0.762 | S | S | * | * | cis | -111.4 | 131.1 | 2.2 | -67.3 | 172.8 | -26.5 | 0 | 0 | 111.3 | R70 | Q68-R70 PolarHBondContact O-N 2.8Š| ||
| 69 | S | 44 | Very low | 48.5 | Very low | 108 Ų | 108 | 156.1 Ų | 156.1 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | trans | -68.4 | 115.2 | 140.3 | 174.4 | 0 | 0 | 0 | 0 | 106 | K71 | S69-K71 PolarHBondContact O-N 2.96Š| ||
| 70 | R | 54.7 | Low | 50.8 | Low | 215 Ų | 215 | 153.5 Ų | 153.5 | 81% | 0.811 | 74% | 0.74 | S | S | * | * | trans | -73 | 79.3 | 160.7 | -77.4 | -173.2 | 177.5 | -178.5 | -3.1 | 106.9 | Q68 R72 | Q68-R70 PolarHBondContact O-N 2.8Å; R70-R72 PolarHBondContact O-N 3.38Å | ||
| 71 | K | 45.3 | Very low | 53.1 | Low | 170 Ų | 170 | 145.2 Ų | 145.2 | 74% | 0.739 | 70% | 0.703 | S | S | * | * | trans | -48.9 | 112.1 | 160.7 | -165.8 | -179.3 | -171.8 | -171.8 | 0 | 105 | S69 T73 | S69-K71 PolarHBondContact O-N 2.96Å; K71-T73 PolarHBondContact O-N 2.89Å | ||
| 72 | R | 49.7 | Very low | 55.1 | Low | 236 Ų | 236 | 139.4 Ų | 139.4 | 89% | 0.891 | 69% | 0.687 | S | S | * | * | trans | -65.5 | 89.7 | 168.8 | -99.6 | -174.2 | 162.4 | -173.3 | -6.7 | 105.7 | R70 N74 | R70-R72 PolarHBondContact O-N 3.38Å; R72-N74 PolarHBondContact O-N 2.91Å | ||
| 73 | T | 38.5 | Very low | 57.4 | Low | 97 Ų | 97 | 134.2 Ų | 134.2 | 60% | 0.595 | 67% | 0.672 | S | S | * | * | trans | -65 | 114.4 | 160.5 | 42.6 | 0 | 0 | 0 | 0 | 105.7 | K71 A75 | K71-T73 PolarHBondContact O-N 2.89Å; T73-A75 PolarHBondContact O-N 3.38Å | ||
| 74 | N | 51.8 | Low | 59.9 | Low | 160 Ų | 160 | 129.4 Ų | 129.4 | 86% | 0.856 | 66% | 0.658 | S | S | * | * | trans | -74.6 | 46.9 | 154.5 | -63 | -3.9 | 0 | 0 | 0 | 108.6 | R72 | R72-N74 PolarHBondContact O-N 2.91Š| ||
| 75 | A | 48.8 | Very low | 62.1 | Low | 62 Ų | 62 | 125.1 Ų | 125.1 | 51% | 0.512 | 64% | 0.635 | S | S | . | * | P | Polyproline II helix | trans | -78.4 | 133.7 | 147.3 | 0 | 0 | 0 | 0 | 0 | 104 | T73 | T73-A75 PolarHBondContact O-N 3.38Š|
| 76 | P | 55 | Low | 64.4 | Low | 102 Ų | 102 | 119.3 Ų | 119.3 | 66% | 0.662 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 155.7 | 168.4 | 29.1 | -35.3 | 0 | 0 | 0 | 108.6 | ||
| 77 | P | 53.1 | Low | 66.8 | Low | 81 Ų | 81 | 111 Ų | 111 | 53% | 0.526 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -55.1 | 147.3 | 154.5 | 29.2 | -33.5 | 0 | 0 | 0 | 107.8 | K79 L132 | P77-K79 HydrophobicContact CB-CB 4.4Å; P77-K79 HydrophobicContact CG-CB 4.09Å; P77-K79 PolarHBondContact O-N 2.98Å; P77-L132 HydrophobicContact CG-CD1 3.88Å |
| 78 | D | 60.3 | Low | 69.5 | Low | 170 Ų | 170 | 105.6 Ų | 105.6 | 91% | 0.909 | 55% | 0.554 | S | S | * | * | trans | -70.3 | 60.4 | 169.7 | -54.1 | -64.7 | 0 | 0 | 0 | 109.6 | E80 | D78-E80 PolarHBondContact O-N 2.88Š| ||
| 79 | K | 70.4 | Confident | 71.7 | Confident | 81 Ų | 81 | 98.3 Ų | 98.3 | 35% | 0.352 | 52% | 0.52 | S | S | . | . | trans | -91.2 | 90.9 | 179.8 | -168.7 | -153.5 | -179.4 | -142.5 | 0 | 107 | P77 W81 D85 L132 | P77-K79 HydrophobicContact CB-CB 4.4Å; P77-K79 HydrophobicContact CG-CB 4.09Å; P77-K79 PolarHBondContact O-N 2.98Å; K79-W81 PolarHBondContact O-N 2.93Å; K79-D85 IonicContact NZ-OD1 2.74Å; K79-D85 PolarHBondContact NZ-OD1 2.96Å; K79-D85 IonicContact NZ-OD2 3.14Å; K79-D85 PolarHBondContact NZ-OD2 3.31Å; K79-L132 HydrophobicContact CD-CD2 3.73Å | ||
| 80 | E | 87.1 | Confident | 74.1 | Confident | 160 Ų | 160 | 99.1 Ų | 99.1 | 75% | 0.748 | 51% | 0.508 | S | S | * | . | trans | -49.6 | 109.4 | 165.2 | -63.3 | 171.9 | -180 | 0 | 0 | 108.8 | D78 Q82 | D78-E80 PolarHBondContact O-N 2.88Å; E80-Q82 WeakPolarHBondContact O-CG 3.34Å | ||
| 81 | W | 92.4 | Very high | 76 | Confident | 35 Ų | 35 | 91.2 Ų | 91.2 | 13% | 0.133 | 48% | 0.478 | C | S | . | . | trans | -58.7 | 142.5 | 177.8 | -74.5 | 117.3 | 0 | 0 | 0 | 111.1 | K79 D85 C87 I102 I105 L127 L130 L132 | K79-W81 PolarHBondContact O-N 2.93Å; W81-D85 HydrophobicContact CE3-CB 3.81Å; W81-D85 HydrophobicContact CZ3-CB 4.02Å; W81-C87 HydrophobicContact CH2-CB 3.55Å; W81-C87 HydrophobicContact CZ2-CB 4.39Å; W81-C87 HydrophobicContact CZ3-CB 3.74Å; W81-I102 HydrophobicContact CB-CD1 3.79Å; W81-I102 HydrophobicContact CD2-CD1 3.8Å; W81-I102 HydrophobicContact CE3-CD1 3.52Å; W81-I102 HydrophobicContact CG-CD1 3.96Å; W81-I102 HydrophobicContact CZ3-CD1 4.21Å; W81-I105 HydrophobicContact CB-CD1 4.15Å; W81-I105 WeakPolarHBondContact O-CD1 3.32Å; W81-L127 HydrophobicContact CB-CD2 3.92Å; W81-L127 HydrophobicContact CG-CD2 4.19Å; W81-L127 PolarHBondContact NE1-O 3.25Å; W81-L130 HydrophobicContact CD2-CD1 4.09Å; W81-L130 HydrophobicContact CG-CD1 4.31Å; W81-L130 HydrophobicContact CH2-CB 4.31Å; W81-L130 HydrophobicContact CZ2-CB 3.5Å; W81-L130 HydrophobicContact CZ2-CD1 4.23Å; W81-L132 HydrophobicContact CH2-CD2 3.67Å; W81-L132 HydrophobicContact CH2-CG 4.2Å; W81-L132 HydrophobicContact CZ2-CD2 4.15Å; W81-L132 HydrophobicContact CZ2-CG 4.38Å; W81-L132 HydrophobicContact CZ3-CD2 4.03Å | ||
| 82 | Q | 92.6 | Very high | 78.3 | Confident | 125 Ų | 125 | 87.6 Ų | 87.6 | 58% | 0.584 | 47% | 0.474 | S | S | * | . | trans | -126.3 | 151.7 | -179.4 | -55.1 | -168.9 | 5.5 | 0 | 0 | 111.5 | E80 G84 D85 | E80-Q82 WeakPolarHBondContact O-CG 3.34Å; Q82-G84 PolarHBondContact O-N 2.83Å; Q82-D85 PolarHBondContact N-OD2 2.88Å; Q82-D85 VanDerWaalsContact O-CB 3.28Å; Q82-D85 WeakPolarHBondContact O-CB 3.45Å; Q82-D85 PolarHBondContact O-N 2.93Å | ||
| 83 | V | 95.2 | Very high | 80.3 | Confident | 95 Ų | 95 | 83.8 Ų | 83.8 | 58% | 0.576 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 127.2 | 173.4 | 174.2 | 0 | 0 | 0 | 0 | 109.1 | S103 I105 | V83-S103 VanDerWaalsContact CG1-O 3.26Å; V83-S103 WeakPolarHBondContact CG1-O 3.45Å; V83-I105 HydrophobicContact CG2-CD1 4.32Å; V83-I105 HydrophobicContact CG2-CG1 4.02Å |
| 84 | G | 93.9 | Very high | 82.9 | Confident | 49 Ų | 49 | 82.7 Ų | 82.7 | 51% | 0.505 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.6 | -2.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q82 I102 | Q82-G84 PolarHBondContact O-N 2.83Å; G84-I102 PolarHBondContact N-O 3.31Å |
| 85 | D | 94.1 | Very high | 84.8 | Confident | 37 Ų | 37 | 77 Ų | 77 | 20% | 0.198 | 44% | 0.436 | C | S | . | . | trans | -66.2 | 138.6 | 168.6 | -92.8 | -39.5 | 0 | 0 | 0 | 111.4 | K79 W81 Q82 T101 I102 | K79-D85 IonicContact NZ-OD1 2.74Å; K79-D85 PolarHBondContact NZ-OD1 2.96Å; K79-D85 IonicContact NZ-OD2 3.14Å; K79-D85 PolarHBondContact NZ-OD2 3.31Å; W81-D85 HydrophobicContact CE3-CB 3.81Å; W81-D85 HydrophobicContact CZ3-CB 4.02Å; Q82-D85 PolarHBondContact N-OD2 2.88Å; Q82-D85 VanDerWaalsContact O-CB 3.28Å; Q82-D85 WeakPolarHBondContact O-CB 3.45Å; Q82-D85 PolarHBondContact O-N 2.93Å; D85-T101 WeakPolarHBondContact O-CA 3.27Å; D85-I102 HydrophobicContact CB-CD1 4.07Å; D85-I102 HydrophobicContact CB-CG1 4.45Å; D85-I102 PolarHBondContact O-N 3.18Å | ||
| 86 | S | 95 | Very high | 86.8 | Confident | 65 Ų | 65 | 79.8 Ų | 79.8 | 46% | 0.455 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 134.6 | 167 | -45.3 | 0 | 0 | 0 | 0 | 110.3 | E133 | S86-E133 VanDerWaalsContact CB-OE2 3.27Å; S86-E133 WeakPolarHBondContact CB-OE2 3.32Å |
| 87 | C | 94.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 78.3 Ų | 78.3 | 0% | 0 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 174.5 | -174.1 | 66.1 | 0 | 0 | 0 | 0 | 110.3 | W81 A100 L130 M131 | W81-C87 HydrophobicContact CH2-CB 3.55Å; W81-C87 HydrophobicContact CZ2-CB 4.39Å; W81-C87 HydrophobicContact CZ3-CB 3.74Å; C87-A100 PolarHBondContact N-O 3.22Å; C87-A100 PolarHBondContact O-N 3.42Å; C87-A100 VanDerWaalsContact O-O 3.05Å; C87-A100 PolarHBondContact SG-O 3.06Å; C87-L130 HydrophobicContact CB-CD1 4.36Å; C87-M131 CarbonylContact C-O 3.55Å; C87-M131 WeakPolarHBondContact CA-O 3.23Å |
| 88 | S | 94.8 | Very high | 90.6 | Very high | 15 Ų | 15 | 77.4 Ų | 77.4 | 11% | 0.105 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 131.7 | 168 | -46.3 | 0 | 0 | 0 | 0 | 109.3 | Y98 M131 | S88-Y98 CarbonylContact C-O 3.53Å; S88-Y98 VanDerWaalsContact CA-O 3.27Å; S88-Y98 WeakPolarHBondContact CA-O 3.5Å; S88-M131 PolarHBondContact N-O 2.95Å; S88-M131 WeakPolarHBondContact O-CB 3.48Å; S88-M131 PolarHBondContact O-N 3.44Å |
| 89 | A | 95 | Very high | 92.2 | Very high | 1 Ų | 1 | 70.9 Ų | 70.9 | 1% | 0.008 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 151.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y98 V114 Y116 Q125 L130 | A89-Y98 PolarHBondContact N-O 3.17Å; A89-Y98 PolarHBondContact O-N 3.12Å; A89-V114 HydrophobicContact CB-CG2 4.2Å; A89-Y116 HydrophobicContact CB-CE1 4.1Å; A89-Q125 HydrophobicContact CB-CG 4.23Å; A89-L130 HydrophobicContact CB-CD2 3.96Å |
| 90 | Y | 95.1 | Very high | 93.4 | Very high | 126 Ų | 126 | 67 Ų | 67 | 49% | 0.494 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 128.5 | 173.5 | -71.8 | -78.3 | 0 | 0 | 0 | 110.1 | G95 Q96 L97 Y116 Q125 | Y90-G95 WeakPolarHBondContact CD1-O 3.22Å; Y90-Q96 CarbonylContact C-O 3.59Å; Y90-Q96 WeakPolarHBondContact CA-O 3.45Å; Y90-L97 HydrophobicContact CD1-CB 4.25Å; Y90-L97 HydrophobicContact CD1-CD1 4.2Å; Y90-L97 HydrophobicContact CD2-CD1 3.94Å; Y90-L97 HydrophobicContact CE1-CB 4.05Å; Y90-L97 HydrophobicContact CE1-CD1 4.08Å; Y90-L97 HydrophobicContact CE2-CD1 3.8Å; Y90-L97 HydrophobicContact CG-CD1 4.14Å; Y90-Y116 PolarHBondContact O-OH 3.04Å; Y90-Q125 PolarHBondContact O-NE2 3.13Å |
| 91 | W | 94.7 | Very high | 93.9 | Very high | 49 Ų | 49 | 61.8 Ų | 61.8 | 19% | 0.186 | 34% | 0.343 | C | S | . | . | trans | -85.5 | 135.7 | 175 | -176.3 | 36.1 | 0 | 0 | 0 | 110.3 | E93 G95 Q96 Y98 Y116 | W91-E93 VanDerWaalsContact C-N 3.34Å; W91-E93 HydrophobicContact CD2-CB 4.01Å; W91-E93 HydrophobicContact CE3-CB 4.23Å; W91-E93 HydrophobicContact CH2-CB 3.82Å; W91-E93 HydrophobicContact CH2-CG 4.23Å; W91-E93 HydrophobicContact CZ2-CB 3.57Å; W91-E93 HydrophobicContact CZ2-CG 4.24Å; W91-E93 VanDerWaalsContact CZ2-OE2 3.22Å; W91-E93 WeakPolarHBondContact CZ2-OE2 3.38Å; W91-E93 HydrophobicContact CZ3-CB 4.15Å; W91-E93 PolarHBondContact O-N 2.95Å; W91-G95 VanDerWaalsContact O-CA 3.3Å; W91-G95 WeakPolarHBondContact O-CA 3.3Å; W91-G95 PolarHBondContact O-N 2.87Å; W91-Q96 PolarHBondContact N-O 3.29Å; W91-Y98 HydrophobicContact CB-CD2 3.76Å; W91-Y98 HydrophobicContact CB-CE2 4.16Å; W91-Y98 HydrophobicContact CE3-CD2 4.45Å; W91-Y98 AromaticContact CE3-CE2 3.87Å; W91-Y98 HydrophobicContact CE3-CE2 3.87Å; W91-Y116 HydrophobicContact CB-CE1 4.27Å; W91-Y116 AromaticContact CD1-CE2 3.86Å; W91-Y116 HydrophobicContact CG-CE2 4.42Å | ||
| 92 | S | 93.1 | Very high | 94 | Very high | 93 Ų | 93 | 60.2 Ų | 60.2 | 65% | 0.65 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -12.8 | -172.4 | 59.2 | 0 | 0 | 0 | 0 | 116 | E123 | S92-E123 WeakPolarHBondContact CB-OE1 3.43Å; S92-E123 PolarHBondContact N-OE2 3.08Å; S92-E123 PolarHBondContact OG-OE1 3.34Å |
| 93 | E | 92.1 | Very high | 94.2 | Very high | 157 Ų | 157 | 56.9 Ų | 56.9 | 73% | 0.734 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -33.3 | -179.8 | -164.8 | 169.2 | 151.2 | 0 | 0 | 112.7 | W91 | W91-E93 VanDerWaalsContact C-N 3.34Å; W91-E93 HydrophobicContact CD2-CB 4.01Å; W91-E93 HydrophobicContact CE3-CB 4.23Å; W91-E93 HydrophobicContact CH2-CB 3.82Å; W91-E93 HydrophobicContact CH2-CG 4.23Å; W91-E93 HydrophobicContact CZ2-CB 3.57Å; W91-E93 HydrophobicContact CZ2-CG 4.24Å; W91-E93 VanDerWaalsContact CZ2-OE2 3.22Å; W91-E93 WeakPolarHBondContact CZ2-OE2 3.38Å; W91-E93 HydrophobicContact CZ3-CB 4.15Å; W91-E93 PolarHBondContact O-N 2.95Å |
| 94 | D | 92.9 | Very high | 94.2 | Very high | 74 Ų | 74 | 54.6 Ų | 54.6 | 40% | 0.396 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.7 | -16.1 | -178.1 | 63.2 | 9.5 | 0 | 0 | 0 | 115.1 | Q96 Y98 | D94-Q96 VanDerWaalsContact C-N 3.32Å; D94-Q96 WeakPolarHBondContact OD1-CB 3.21Å; D94-Q96 PolarHBondContact OD1-N 3.04Å; D94-Y98 PolarHBondContact OD2-OH 3.3Å |
| 95 | G | 90.3 | Very high | 94.2 | Very high | 41 Ų | 41 | 54 Ų | 54 | 42% | 0.423 | 30% | 0.301 | S | S | . | . | trans | 75.1 | 17.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y90 W91 | Y90-G95 WeakPolarHBondContact CD1-O 3.22Å; W91-G95 VanDerWaalsContact O-CA 3.3Å; W91-G95 WeakPolarHBondContact O-CA 3.3Å; W91-G95 PolarHBondContact O-N 2.87Å | ||
| 96 | Q | 91.3 | Very high | 94.2 | Very high | 120 Ų | 120 | 55.8 Ų | 55.8 | 56% | 0.561 | 31% | 0.31 | S | S | * | . | trans | -91.5 | 153.4 | 177.3 | -129.2 | 68.5 | 91.9 | 0 | 0 | 111.9 | Y90 W91 D94 Y98 | Y90-Q96 CarbonylContact C-O 3.59Å; Y90-Q96 WeakPolarHBondContact CA-O 3.45Å; W91-Q96 PolarHBondContact N-O 3.29Å; D94-Q96 VanDerWaalsContact C-N 3.32Å; D94-Q96 WeakPolarHBondContact OD1-CB 3.21Å; D94-Q96 PolarHBondContact OD1-N 3.04Å; Q96-Y98 HydrophobicContact CB-CD2 4.32Å; Q96-Y98 HydrophobicContact CB-CE2 3.67Å; Q96-Y98 WeakPolarHBondContact O-CD2 3.37Å | ||
| 97 | L | 93.4 | Very high | 94 | Very high | 71 Ų | 71 | 60.3 Ų | 60.3 | 37% | 0.372 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 121.9 | -179.4 | -168.8 | 86.6 | 0 | 0 | 0 | 109.9 | Y90 M131 | Y90-L97 HydrophobicContact CD1-CB 4.25Å; Y90-L97 HydrophobicContact CD1-CD1 4.2Å; Y90-L97 HydrophobicContact CD2-CD1 3.94Å; Y90-L97 HydrophobicContact CE1-CB 4.05Å; Y90-L97 HydrophobicContact CE1-CD1 4.08Å; Y90-L97 HydrophobicContact CE2-CD1 3.8Å; Y90-L97 HydrophobicContact CG-CD1 4.14Å; L97-M131 HydrophobicContact CD1-CG 4.27Å; L97-M131 HydrophobicContact CD1-SD 3.88Å; L97-M131 HydrophobicContact CD2-SD 4Å |
| 98 | Y | 94.6 | Very high | 93.7 | Very high | 61 Ų | 61 | 69.3 Ų | 69.3 | 24% | 0.239 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 147 | -179.4 | -74.8 | -84.9 | 0 | 0 | 0 | 112 | S88 A89 W91 D94 Q96 Y116 Y119 | S88-Y98 CarbonylContact C-O 3.53Å; S88-Y98 VanDerWaalsContact CA-O 3.27Å; S88-Y98 WeakPolarHBondContact CA-O 3.5Å; A89-Y98 PolarHBondContact N-O 3.17Å; A89-Y98 PolarHBondContact O-N 3.12Å; W91-Y98 HydrophobicContact CB-CD2 3.76Å; W91-Y98 HydrophobicContact CB-CE2 4.16Å; W91-Y98 HydrophobicContact CE3-CD2 4.45Å; W91-Y98 AromaticContact CE3-CE2 3.87Å; W91-Y98 HydrophobicContact CE3-CE2 3.87Å; D94-Y98 PolarHBondContact OD2-OH 3.3Å; Q96-Y98 HydrophobicContact CB-CD2 4.32Å; Q96-Y98 HydrophobicContact CB-CE2 3.67Å; Q96-Y98 WeakPolarHBondContact O-CD2 3.37Å; Y98-Y116 HydrophobicContact CG-CD1 4.49Å; Y98-Y119 HydrophobicContact CD1-CE2 4.01Å; Y98-Y119 AromaticContact CE1-CE2 3.9Å; Y98-Y119 HydrophobicContact CE1-CE2 3.9Å |
| 99 | A | 94.9 | Very high | 93.4 | Very high | 33 Ų | 33 | 75.3 Ų | 75.3 | 27% | 0.273 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 134.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | T117 E133 | A99-T117 WeakPolarHBondContact O-CB 3.15Å; A99-T117 PolarHBondContact O-N 3.38Å; A99-T117 PolarHBondContact O-OG1 2.99Å; A99-E133 VanDerWaalsContact CB-OE1 3.3Å; A99-E133 WeakPolarHBondContact CB-OE1 3.32Å |
| 100 | A | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 160.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112 | C87 V114 V115 Y116 | C87-A100 PolarHBondContact N-O 3.22Å; C87-A100 PolarHBondContact O-N 3.42Å; C87-A100 VanDerWaalsContact O-O 3.05Å; C87-A100 PolarHBondContact SG-O 3.06Å; A100-V114 HydrophobicContact CB-CB 3.98Å; A100-V114 HydrophobicContact CB-CG2 4.24Å; A100-V115 CarbonylContact C-O 3.58Å; A100-V115 WeakPolarHBondContact CA-O 3.49Å; A100-V115 WeakPolarHBondContact CB-O 3.49Å; A100-Y116 HydrophobicContact CB-CD1 3.91Å; A100-Y116 HydrophobicContact CB-CE1 4.27Å; A100-Y116 HydrophobicContact CB-CG 4.49Å |
| 101 | T | 96.1 | Very high | 93.2 | Very high | 51 Ų | 51 | 71.4 Ų | 71.4 | 31% | 0.313 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 136 | 174.8 | -54.5 | 0 | 0 | 0 | 0 | 110.4 | D85 S103 V114 V115 | D85-T101 WeakPolarHBondContact O-CA 3.27Å; T101-S103 PolarHBondContact O-N 3.3Å; T101-V114 WeakPolarHBondContact O-CA 3.42Å; T101-V115 PolarHBondContact N-O 3.36Å; T101-V115 PolarHBondContact O-N 3.36Å |
| 102 | I | 96.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.005 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 118.3 | 178.6 | -54.6 | -178.7 | 0 | 0 | 0 | 109.9 | W81 G84 D85 I105 C112 V114 L130 | W81-I102 HydrophobicContact CB-CD1 3.79Å; W81-I102 HydrophobicContact CD2-CD1 3.8Å; W81-I102 HydrophobicContact CE3-CD1 3.52Å; W81-I102 HydrophobicContact CG-CD1 3.96Å; W81-I102 HydrophobicContact CZ3-CD1 4.21Å; G84-I102 PolarHBondContact N-O 3.31Å; D85-I102 HydrophobicContact CB-CD1 4.07Å; D85-I102 HydrophobicContact CB-CG1 4.45Å; D85-I102 PolarHBondContact O-N 3.18Å; I102-I105 HydrophobicContact CG2-CD1 3.92Å; I102-I105 HydrophobicContact CG2-CG1 3.54Å; I102-C112 HydrophobicContact CG2-CB 4.14Å; I102-V114 HydrophobicContact CG1-CG1 4.32Å; I102-L130 HydrophobicContact CD1-CD1 3.47Å; I102-L130 VanDerWaalsContact CD1-CD1 3.47Å; I102-L130 HydrophobicContact CG1-CD1 3.95Å |
| 103 | S | 95.9 | Very high | 93.4 | Very high | 55 Ų | 55 | 66.4 Ų | 66.4 | 39% | 0.385 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | -38 | -179 | -171.7 | 0 | 0 | 0 | 0 | 112.5 | V83 T101 V113 | V83-S103 VanDerWaalsContact CG1-O 3.26Å; V83-S103 WeakPolarHBondContact CG1-O 3.45Å; T101-S103 PolarHBondContact O-N 3.3Å; S103-V113 WeakPolarHBondContact CB-O 3.17Å; S103-V113 PolarHBondContact N-O 3.45Å |
| 104 | S | 95.1 | Very high | 93.6 | Very high | 48 Ų | 48 | 59 Ų | 59 | 34% | 0.336 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 159.9 | 175.9 | 72 | 0 | 0 | 0 | 0 | 111.7 | C112 V113 | S104-C112 CarbonylContact O-C 3.54Å; S104-C112 WeakPolarHBondContact O-CA 3.45Å; S104-C112 VanDerWaalsContact O-CB 3.22Å; S104-C112 WeakPolarHBondContact O-CB 3.18Å; S104-V113 PolarHBondContact N-O 3Å; S104-V113 PolarHBondContact O-N 2.85Å; S104-V113 WeakPolarHBondContact OG-CB 3.45Å; S104-V113 WeakPolarHBondContact OG-CG2 3.3Å |
| 105 | I | 94.9 | Very high | 93.8 | Very high | 36 Ų | 36 | 57.3 Ų | 57.3 | 19% | 0.185 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 119.6 | -179.1 | -59.7 | -179.3 | 0 | 0 | 0 | 110.5 | W81 V83 I102 Q107 C112 L127 | W81-I105 HydrophobicContact CB-CD1 4.15Å; W81-I105 WeakPolarHBondContact O-CD1 3.32Å; V83-I105 HydrophobicContact CG2-CD1 4.32Å; V83-I105 HydrophobicContact CG2-CG1 4.02Å; I102-I105 HydrophobicContact CG2-CD1 3.92Å; I102-I105 HydrophobicContact CG2-CG1 3.54Å; I105-Q107 HydrophobicContact CG2-CG 3.89Å; I105-Q107 PolarHBondContact O-N 2.69Å; I105-C112 HydrophobicContact CG1-CB 4.15Å; I105-L127 HydrophobicContact CD1-CD2 4.47Å; I105-L127 HydrophobicContact CG1-CD2 4.48Å; I105-L127 HydrophobicContact CG2-CD1 3.86Å; I105-L127 HydrophobicContact CG2-CD2 4.09Å |
| 106 | D | 93.7 | Very high | 94 | Very high | 75 Ų | 75 | 55.6 Ų | 55.6 | 40% | 0.401 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 78.9 | 172.5 | -86.2 | -23.3 | 0 | 0 | 0 | 110.2 | Q108 R109 G110 T111 | D106-Q108 PolarHBondContact O-N 2.71Å; D106-R109 HydrophobicContact CB-CB 4.13Å; D106-R109 HydrophobicContact CB-CG 4.43Å; D106-R109 PolarHBondContact O-N 2.9Å; D106-R109 IonicContact OD2-NH1 3.51Å; D106-G110 PolarHBondContact O-N 3.34Å; D106-T111 WeakPolarHBondContact CA-O 3.32Å; D106-T111 PolarHBondContact N-O 3.36Å |
| 107 | Q | 89.4 | Confident | 94.2 | Very high | 159 Ų | 159 | 53.8 Ų | 53.8 | 74% | 0.743 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -20 | 177.3 | -67.4 | -174.9 | -18.3 | 0 | 0 | 114 | I105 | I105-Q107 HydrophobicContact CG2-CG 3.89Å; I105-Q107 PolarHBondContact O-N 2.69Å |
| 108 | Q | 89.7 | Confident | 94 | Very high | 189 Ų | 189 | 54.4 Ų | 54.4 | 88% | 0.883 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -20.4 | 175.1 | -61.4 | -62 | -51.1 | 0 | 0 | 113.6 | D106 | D106-Q108 PolarHBondContact O-N 2.71Š|
| 109 | R | 88.8 | Confident | 93.8 | Very high | 142 Ų | 142 | 58.3 Ų | 58.3 | 54% | 0.536 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | -18.3 | -177 | -67 | 177.5 | 62.3 | -147.4 | -5.4 | 113.4 | D106 T111 E124 | D106-R109 HydrophobicContact CB-CB 4.13Å; D106-R109 HydrophobicContact CB-CG 4.43Å; D106-R109 PolarHBondContact O-N 2.9Å; D106-R109 IonicContact OD2-NH1 3.51Å; R109-T111 VanDerWaalsContact C-N 3.27Å; R109-T111 HydrophobicContact CB-CG2 4.41Å; R109-T111 WeakPolarHBondContact CB-OG1 3.44Å; R109-E124 IonicContact CZ-OE1 3.46Å; R109-E124 IonicContact CZ-OE2 3.49Å; R109-E124 IonicContact NH1-OE1 3.47Å; R109-E124 PolarHBondContact NH1-OE1 2.86Å; R109-E124 IonicContact NH1-OE2 2.69Å; R109-E124 PolarHBondContact NH1-OE2 3.4Å; R109-E124 IonicContact NH2-OE1 2.66Å; R109-E124 PolarHBondContact NH2-OE1 2.99Å; R109-E124 IonicContact NH2-OE2 3.43Å; R109-E124 PolarHBondContact NH2-OE2 3.39Å |
| 110 | G | 90 | Very high | 93.6 | Very high | 25 Ų | 25 | 59 Ų | 59 | 26% | 0.258 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | 7.9 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | D106 N126 L127 | D106-G110 PolarHBondContact O-N 3.34Å; G110-N126 PolarHBondContact O-OD1 2.91Å; G110-N126 VanDerWaalsContact O-OD1 3.11Å; G110-L127 VanDerWaalsContact O-CB 3.3Å; G110-L127 WeakPolarHBondContact O-CB 3.11Å; G110-L127 VanDerWaalsContact O-CG 3.24Å; G110-L127 WeakPolarHBondContact O-CG 3.34Å; G110-L127 PolarHBondContact O-N 2.88Å |
| 111 | T | 94.2 | Very high | 93.6 | Very high | 20 Ų | 20 | 62.3 Ų | 62.3 | 12% | 0.123 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 164.2 | -176.3 | 53.6 | 0 | 0 | 0 | 0 | 112.3 | D106 R109 E124 Q125 | D106-T111 WeakPolarHBondContact CA-O 3.32Å; D106-T111 PolarHBondContact N-O 3.36Å; R109-T111 VanDerWaalsContact C-N 3.27Å; R109-T111 HydrophobicContact CB-CG2 4.41Å; R109-T111 WeakPolarHBondContact CB-OG1 3.44Å; T111-E124 HydrophobicContact CG2-CG 4.35Å; T111-Q125 CarbonylContact C-O 3.5Å; T111-Q125 VanDerWaalsContact CA-O 3.29Å; T111-Q125 WeakPolarHBondContact CA-O 3.49Å |
| 112 | C | 95.2 | Very high | 93.5 | Very high | 2 Ų | 2 | 66.2 Ų | 66.2 | 1% | 0.014 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 156.6 | 176.8 | 61.1 | 0 | 0 | 0 | 0 | 109.7 | I102 S104 I105 E124 Q125 L127 | I102-C112 HydrophobicContact CG2-CB 4.14Å; S104-C112 CarbonylContact O-C 3.54Å; S104-C112 WeakPolarHBondContact O-CA 3.45Å; S104-C112 VanDerWaalsContact O-CB 3.22Å; S104-C112 WeakPolarHBondContact O-CB 3.18Å; I105-C112 HydrophobicContact CG1-CB 4.15Å; C112-E124 CarbonylContact O-C 3.59Å; C112-E124 WeakPolarHBondContact O-CA 3.45Å; C112-Q125 PolarHBondContact N-O 2.94Å; C112-Q125 PolarHBondContact O-N 3.4Å; C112-Q125 PolarHBondContact SG-O 2.93Å; C112-Q125 VanDerWaalsContact SG-O 3.33Å; C112-L127 HydrophobicContact CB-CD2 3.7Å; C112-L127 HydrophobicContact CB-CG 4.3Å |
| 113 | V | 96.4 | Very high | 93.4 | Very high | 35 Ų | 35 | 68.1 Ų | 68.1 | 21% | 0.212 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 125.9 | 167.8 | -178.4 | 0 | 0 | 0 | 0 | 108.1 | S103 S104 E122 E123 | S103-V113 WeakPolarHBondContact CB-O 3.17Å; S103-V113 PolarHBondContact N-O 3.45Å; S104-V113 PolarHBondContact N-O 3Å; S104-V113 PolarHBondContact O-N 2.85Å; S104-V113 WeakPolarHBondContact OG-CB 3.45Å; S104-V113 WeakPolarHBondContact OG-CG2 3.3Å; V113-E122 HydrophobicContact CG1-CB 4.01Å; V113-E123 WeakPolarHBondContact CA-O 3.46Å |
| 114 | V | 96.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 143.6 | 175.1 | -59.8 | 0 | 0 | 0 | 0 | 110.9 | A89 A100 T101 I102 Y116 E122 E123 Q125 L130 | A89-V114 HydrophobicContact CB-CG2 4.2Å; A100-V114 HydrophobicContact CB-CB 3.98Å; A100-V114 HydrophobicContact CB-CG2 4.24Å; T101-V114 WeakPolarHBondContact O-CA 3.42Å; I102-V114 HydrophobicContact CG1-CG1 4.32Å; V114-Y116 HydrophobicContact CG2-CE2 4.24Å; V114-E122 WeakPolarHBondContact O-CA 3.25Å; V114-E123 PolarHBondContact N-O 2.97Å; V114-E123 PolarHBondContact O-N 2.97Å; V114-Q125 HydrophobicContact CG1-CB 4.49Å; V114-Q125 HydrophobicContact CG2-CB 4.41Å; V114-Q125 HydrophobicContact CG2-CG 3.68Å; V114-L130 HydrophobicContact CG1-CD1 4.47Å; V114-L130 HydrophobicContact CG1-CD2 3.86Å |
| 115 | V | 97.3 | Very high | 93.4 | Very high | 40 Ų | 40 | 69.7 Ų | 69.7 | 24% | 0.242 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 118.2 | 173.2 | 177.3 | 0 | 0 | 0 | 0 | 108.2 | A100 T101 T117 N121 E122 | A100-V115 CarbonylContact C-O 3.58Å; A100-V115 WeakPolarHBondContact CA-O 3.49Å; A100-V115 WeakPolarHBondContact CB-O 3.49Å; T101-V115 PolarHBondContact N-O 3.36Å; T101-V115 PolarHBondContact O-N 3.36Å; V115-T117 PolarHBondContact O-N 3.27Å; V115-N121 WeakPolarHBondContact CA-O 3.3Å; V115-E122 HydrophobicContact CG2-CG 3.87Å |
| 116 | Y | 96 | Very high | 93.4 | Very high | 4 Ų | 4 | 70.5 Ų | 70.5 | 2% | 0.016 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 124.2 | -179.6 | -69.7 | -76.3 | 0 | 0 | 0 | 112.1 | A89 Y90 W91 Y98 A100 V114 G118 Y119 G120 N121 E123 Q125 | A89-Y116 HydrophobicContact CB-CE1 4.1Å; Y90-Y116 PolarHBondContact O-OH 3.04Å; W91-Y116 HydrophobicContact CB-CE1 4.27Å; W91-Y116 AromaticContact CD1-CE2 3.86Å; W91-Y116 HydrophobicContact CG-CE2 4.42Å; Y98-Y116 HydrophobicContact CG-CD1 4.49Å; A100-Y116 HydrophobicContact CB-CD1 3.91Å; A100-Y116 HydrophobicContact CB-CE1 4.27Å; A100-Y116 HydrophobicContact CB-CG 4.49Å; V114-Y116 HydrophobicContact CG2-CE2 4.24Å; Y116-G118 PolarHBondContact O-N 3.12Å; Y116-Y119 PolarHBondContact O-N 3.26Å; Y116-G120 PolarHBondContact O-N 3.21Å; Y116-N121 HydrophobicContact CD2-CB 4.16Å; Y116-N121 PolarHBondContact N-O 2.99Å; Y116-E123 HydrophobicContact CE2-CB 3.79Å; Y116-E123 PolarHBondContact OH-OE2 3.32Å; Y116-E123 VanDerWaalsContact OH-OE2 3.13Å; Y116-Q125 PolarHBondContact OH-NE2 3.13Å; Y116-Q125 VanDerWaalsContact OH-NE2 3.15Å |
| 117 | T | 93.9 | Very high | 93.2 | Very high | 82 Ų | 82 | 68.3 Ų | 68.3 | 50% | 0.503 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 130.3 | -176 | -61.2 | 0 | 0 | 0 | 0 | 110.7 | A99 V115 Y119 | A99-T117 WeakPolarHBondContact O-CB 3.15Å; A99-T117 PolarHBondContact O-N 3.38Å; A99-T117 PolarHBondContact O-OG1 2.99Å; V115-T117 PolarHBondContact O-N 3.27Å; T117-Y119 VanDerWaalsContact C-N 3.25Å; T117-Y119 PolarHBondContact O-N 2.82Å |
| 118 | G | 90.1 | Very high | 93.2 | Very high | 84 Ų | 84 | 67.8 Ų | 67.8 | 87% | 0.866 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.6 | -26.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115 | Y116 | Y116-G118 PolarHBondContact O-N 3.12Š|
| 119 | Y | 90.7 | Very high | 93.2 | Very high | 143 Ų | 143 | 63.6 Ų | 63.6 | 56% | 0.561 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | -38.4 | 179.2 | -62.5 | -87.3 | 0 | 0 | 0 | 112.9 | Y98 Y116 T117 N121 | Y98-Y119 HydrophobicContact CD1-CE2 4.01Å; Y98-Y119 AromaticContact CE1-CE2 3.9Å; Y98-Y119 HydrophobicContact CE1-CE2 3.9Å; Y116-Y119 PolarHBondContact O-N 3.26Å; T117-Y119 VanDerWaalsContact C-N 3.25Å; T117-Y119 PolarHBondContact O-N 2.82Å; Y119-N121 PolarHBondContact O-N 3.39Å |
| 120 | G | 90.7 | Very high | 93.3 | Very high | 49 Ų | 49 | 57.4 Ų | 57.4 | 51% | 0.505 | 33% | 0.331 | S | S | . | . | trans | 75.8 | 8.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y116 | Y116-G120 PolarHBondContact O-N 3.21Š| ||
| 121 | N | 94.1 | Very high | 93.3 | Very high | 69 Ų | 69 | 60.6 Ų | 60.6 | 37% | 0.369 | 34% | 0.34 | S | S | . | . | trans | -67.8 | 142.1 | 170.9 | -66.5 | -16.4 | 0 | 0 | 0 | 110 | V115 Y116 Y119 | V115-N121 WeakPolarHBondContact CA-O 3.3Å; Y116-N121 HydrophobicContact CD2-CB 4.16Å; Y116-N121 PolarHBondContact N-O 2.99Å; Y119-N121 PolarHBondContact O-N 3.39Å | ||
| 122 | E | 94.9 | Very high | 92.8 | Very high | 133 Ų | 133 | 63.1 Ų | 63.1 | 62% | 0.621 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 133.9 | 176.6 | -61.8 | -167.9 | 155.7 | 0 | 0 | 110.7 | V113 V114 V115 | V113-E122 HydrophobicContact CG1-CB 4.01Å; V114-E122 WeakPolarHBondContact O-CA 3.25Å; V115-E122 HydrophobicContact CG2-CG 3.87Å |
| 123 | E | 94.8 | Very high | 91.7 | Very high | 41 Ų | 41 | 66.6 Ų | 66.6 | 19% | 0.192 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 144.4 | 178.7 | -174.9 | 158.8 | -147.5 | 0 | 0 | 112.2 | S92 V113 V114 Y116 Q125 | S92-E123 WeakPolarHBondContact CB-OE1 3.43Å; S92-E123 PolarHBondContact N-OE2 3.08Å; S92-E123 PolarHBondContact OG-OE1 3.34Å; V113-E123 WeakPolarHBondContact CA-O 3.46Å; V114-E123 PolarHBondContact N-O 2.97Å; V114-E123 PolarHBondContact O-N 2.97Å; Y116-E123 HydrophobicContact CE2-CB 3.79Å; Y116-E123 PolarHBondContact OH-OE2 3.32Å; Y116-E123 VanDerWaalsContact OH-OE2 3.13Å; E123-Q125 HydrophobicContact CG-CG 4.39Å; E123-Q125 PolarHBondContact OE2-NE2 2.93Å |
| 124 | E | 95.8 | Very high | 89.8 | Confident | 102 Ų | 102 | 72.6 Ų | 72.6 | 48% | 0.477 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 115.6 | 172.8 | -174.8 | -178.7 | 103.3 | 0 | 0 | 110.2 | R109 T111 C112 | R109-E124 IonicContact CZ-OE1 3.46Å; R109-E124 IonicContact CZ-OE2 3.49Å; R109-E124 IonicContact NH1-OE1 3.47Å; R109-E124 PolarHBondContact NH1-OE1 2.86Å; R109-E124 IonicContact NH1-OE2 2.69Å; R109-E124 PolarHBondContact NH1-OE2 3.4Å; R109-E124 IonicContact NH2-OE1 2.66Å; R109-E124 PolarHBondContact NH2-OE1 2.99Å; R109-E124 IonicContact NH2-OE2 3.43Å; R109-E124 PolarHBondContact NH2-OE2 3.39Å; T111-E124 HydrophobicContact CG2-CG 4.35Å; C112-E124 CarbonylContact O-C 3.59Å; C112-E124 WeakPolarHBondContact O-CA 3.45Å |
| 125 | Q | 95.3 | Very high | 87.4 | Confident | 34 Ų | 34 | 76 Ų | 76 | 16% | 0.159 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 157.7 | -177.3 | -67.5 | -69.4 | -13.1 | 0 | 0 | 110.9 | A89 Y90 T111 C112 V114 Y116 E123 L130 | A89-Q125 HydrophobicContact CB-CG 4.23Å; Y90-Q125 PolarHBondContact O-NE2 3.13Å; T111-Q125 CarbonylContact C-O 3.5Å; T111-Q125 VanDerWaalsContact CA-O 3.29Å; T111-Q125 WeakPolarHBondContact CA-O 3.49Å; C112-Q125 PolarHBondContact N-O 2.94Å; C112-Q125 PolarHBondContact O-N 3.4Å; C112-Q125 PolarHBondContact SG-O 2.93Å; C112-Q125 VanDerWaalsContact SG-O 3.33Å; V114-Q125 HydrophobicContact CG1-CB 4.49Å; V114-Q125 HydrophobicContact CG2-CB 4.41Å; V114-Q125 HydrophobicContact CG2-CG 3.68Å; Y116-Q125 PolarHBondContact OH-NE2 3.13Å; Y116-Q125 VanDerWaalsContact OH-NE2 3.15Å; E123-Q125 HydrophobicContact CG-CG 4.39Å; E123-Q125 PolarHBondContact OE2-NE2 2.93Å; Q125-L130 HydrophobicContact CB-CD2 4.03Å |
| 126 | N | 93.8 | Very high | 85 | Confident | 53 Ų | 53 | 82.6 Ų | 82.6 | 28% | 0.283 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 135.6 | 175.5 | -179.3 | 13.4 | 0 | 0 | 0 | 110.7 | G110 D128 D129 L130 | G110-N126 PolarHBondContact O-OD1 2.91Å; G110-N126 VanDerWaalsContact O-OD1 3.11Å; N126-D128 PolarHBondContact O-N 2.72Å; N126-D128 PolarHBondContact OD1-N 2.95Å; N126-D129 HydrophobicContact CB-CB 4.14Å; N126-D129 VanDerWaalsContact CB-OD2 3.24Å; N126-D129 WeakPolarHBondContact CB-OD2 3.16Å; N126-D129 PolarHBondContact ND2-OD2 3.38Å; N126-D129 PolarHBondContact O-N 3.21Å; N126-D129 VanDerWaalsContact O-N 3.13Å; N126-L130 PolarHBondContact O-N 3.47Å |
| 127 | L | 90.6 | Very high | 82.4 | Confident | 29 Ų | 29 | 85.8 Ų | 85.8 | 15% | 0.152 | 48% | 0.477 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -31.8 | -179.9 | -71.6 | 169.3 | 0 | 0 | 0 | 113 | W81 I105 G110 C112 L130 | W81-L127 HydrophobicContact CB-CD2 3.92Å; W81-L127 HydrophobicContact CG-CD2 4.19Å; W81-L127 PolarHBondContact NE1-O 3.25Å; I105-L127 HydrophobicContact CD1-CD2 4.47Å; I105-L127 HydrophobicContact CG1-CD2 4.48Å; I105-L127 HydrophobicContact CG2-CD1 3.86Å; I105-L127 HydrophobicContact CG2-CD2 4.09Å; G110-L127 VanDerWaalsContact O-CB 3.3Å; G110-L127 WeakPolarHBondContact O-CB 3.11Å; G110-L127 VanDerWaalsContact O-CG 3.24Å; G110-L127 WeakPolarHBondContact O-CG 3.34Å; G110-L127 PolarHBondContact O-N 2.88Å; C112-L127 HydrophobicContact CB-CD2 3.7Å; C112-L127 HydrophobicContact CB-CG 4.3Å; L127-L130 HydrophobicContact CD2-CD1 4.49Å |
| 128 | D | 89.1 | Confident | 79.8 | Confident | 148 Ų | 148 | 89.7 Ų | 89.7 | 79% | 0.791 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -24.8 | 178.2 | -70.2 | -31.5 | 0 | 0 | 0 | 112.8 | N126 | N126-D128 PolarHBondContact O-N 2.72Å; N126-D128 PolarHBondContact OD1-N 2.95Å |
| 129 | D | 90.1 | Very high | 77.8 | Confident | 100 Ų | 100 | 93 Ų | 93 | 54% | 0.535 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -11.1 | -179.5 | -65.1 | -53.1 | 0 | 0 | 0 | 112.7 | N126 M131 | N126-D129 HydrophobicContact CB-CB 4.14Å; N126-D129 VanDerWaalsContact CB-OD2 3.24Å; N126-D129 WeakPolarHBondContact CB-OD2 3.16Å; N126-D129 PolarHBondContact ND2-OD2 3.38Å; N126-D129 PolarHBondContact O-N 3.21Å; N126-D129 VanDerWaalsContact O-N 3.13Å; D129-M131 PolarHBondContact O-N 3.34Å |
| 130 | L | 89.5 | Confident | 75.4 | Confident | 13 Ų | 13 | 89.5 Ų | 89.5 | 7% | 0.068 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 126.3 | 172.2 | -69 | -169 | 0 | 0 | 0 | 111.2 | W81 C87 A89 I102 V114 Q125 N126 L127 | W81-L130 HydrophobicContact CD2-CD1 4.09Å; W81-L130 HydrophobicContact CG-CD1 4.31Å; W81-L130 HydrophobicContact CH2-CB 4.31Å; W81-L130 HydrophobicContact CZ2-CB 3.5Å; W81-L130 HydrophobicContact CZ2-CD1 4.23Å; C87-L130 HydrophobicContact CB-CD1 4.36Å; A89-L130 HydrophobicContact CB-CD2 3.96Å; I102-L130 HydrophobicContact CD1-CD1 3.47Å; I102-L130 VanDerWaalsContact CD1-CD1 3.47Å; I102-L130 HydrophobicContact CG1-CD1 3.95Å; V114-L130 HydrophobicContact CG1-CD1 4.47Å; V114-L130 HydrophobicContact CG1-CD2 3.86Å; Q125-L130 HydrophobicContact CB-CD2 4.03Å; N126-L130 PolarHBondContact O-N 3.47Å; L127-L130 HydrophobicContact CD2-CD1 4.49Å |
| 131 | M | 89.4 | Confident | 73 | Confident | 92 Ų | 92 | 91.8 Ų | 91.8 | 45% | 0.453 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 141.2 | 169.7 | -59.7 | -164.9 | 72.2 | 0 | 0 | 110.6 | C87 S88 L97 D129 E133 | C87-M131 CarbonylContact C-O 3.55Å; C87-M131 WeakPolarHBondContact CA-O 3.23Å; S88-M131 PolarHBondContact N-O 2.95Å; S88-M131 WeakPolarHBondContact O-CB 3.48Å; S88-M131 PolarHBondContact O-N 3.44Å; L97-M131 HydrophobicContact CD1-CG 4.27Å; L97-M131 HydrophobicContact CD1-SD 3.88Å; L97-M131 HydrophobicContact CD2-SD 4Å; D129-M131 PolarHBondContact O-N 3.34Å; M131-E133 PolarHBondContact O-N 2.94Å |
| 132 | L | 84.1 | Confident | 70.3 | Confident | 72 Ų | 72 | 94.7 Ų | 94.7 | 38% | 0.377 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 123.9 | 163.7 | -73.1 | 167.5 | 0 | 0 | 0 | 108.7 | P77 K79 W81 I134 | P77-L132 HydrophobicContact CG-CD1 3.88Å; K79-L132 HydrophobicContact CD-CD2 3.73Å; W81-L132 HydrophobicContact CH2-CD2 3.67Å; W81-L132 HydrophobicContact CH2-CG 4.2Å; W81-L132 HydrophobicContact CZ2-CD2 4.15Å; W81-L132 HydrophobicContact CZ2-CG 4.38Å; W81-L132 HydrophobicContact CZ3-CD2 4.03Å; L132-I134 VanDerWaalsContact C-N 3.31Å; L132-I134 PolarHBondContact O-N 3.12Å |
| 133 | E | 73.6 | Confident | 67.7 | Low | 76 Ų | 76 | 94.1 Ų | 94.1 | 36% | 0.355 | 53% | 0.526 | S | S | . | . | trans | -66.8 | 96.6 | 166.8 | -173.7 | 168.5 | -143.3 | 0 | 0 | 107.5 | S86 A99 M131 S135 | S86-E133 VanDerWaalsContact CB-OE2 3.27Å; S86-E133 WeakPolarHBondContact CB-OE2 3.32Å; A99-E133 VanDerWaalsContact CB-OE1 3.3Å; A99-E133 WeakPolarHBondContact CB-OE1 3.32Å; M131-E133 PolarHBondContact O-N 2.94Å; E133-S135 PolarHBondContact O-N 2.87Å | ||
| 134 | I | 55.5 | Low | 65.1 | Low | 160 Ų | 160 | 100.9 Ų | 100.9 | 82% | 0.821 | 55% | 0.554 | S | S | * | * | trans | -72.7 | 81.5 | 172.5 | -55.7 | 177.1 | 0 | 0 | 0 | 106 | L132 E136 | L132-I134 VanDerWaalsContact C-N 3.31Å; L132-I134 PolarHBondContact O-N 3.12Å; I134-E136 PolarHBondContact O-N 2.63Å | ||
| 135 | S | 46.7 | Very low | 62.2 | Low | 73 Ų | 73 | 105.2 Ų | 105.2 | 51% | 0.51 | 58% | 0.575 | S | S | . | * | trans | -54.9 | 135.2 | -174.5 | 59.9 | 0 | 0 | 0 | 0 | 111.2 | E133 A137 | E133-S135 PolarHBondContact O-N 2.87Å; S135-A137 PolarHBondContact O-N 3.22Å | ||
| 136 | E | 46.7 | Very low | 59.2 | Low | 177 Ų | 177 | 110.7 Ų | 110.7 | 83% | 0.827 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -66.5 | 5.6 | 168.9 | -57.5 | -175.6 | 121.7 | 0 | 0 | 111.8 | I134 D138 E139 A140 | I134-E136 PolarHBondContact O-N 2.63Å; E136-D138 VanDerWaalsContact C-N 3.32Å; E136-D138 PolarHBondContact O-N 3.11Å; E136-E139 PolarHBondContact O-N 2.85Å; E136-A140 PolarHBondContact O-N 3.32Å |
| 137 | A | 40.8 | Very low | 56.6 | Low | 71 Ų | 71 | 114.4 Ų | 114.4 | 59% | 0.587 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -80.2 | 4.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | S135 E139 | S135-A137 PolarHBondContact O-N 3.22Å; A137-E139 VanDerWaalsContact C-N 3.31Å |
| 138 | D | 39.2 | Very low | 54 | Low | 165 Ų | 165 | 120.9 Ų | 120.9 | 88% | 0.882 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -87.4 | -2.6 | 159.2 | -141.9 | 4.2 | 0 | 0 | 0 | 111.7 | E136 | E136-D138 VanDerWaalsContact C-N 3.32Å; E136-D138 PolarHBondContact O-N 3.11Å |
| 139 | E | 47.9 | Very low | 51.6 | Low | 153 Ų | 153 | 122.5 Ų | 122.5 | 72% | 0.715 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -121.6 | 4.4 | 172.8 | -82.7 | -73.9 | 153.8 | 0 | 0 | 113.6 | E136 A137 | E136-E139 PolarHBondContact O-N 2.85Å; A137-E139 VanDerWaalsContact C-N 3.31Å |
| 140 | A | 40.8 | Very low | 48.5 | Very low | 69 Ų | 69 | 122.9 Ų | 122.9 | 57% | 0.57 | 67% | 0.665 | S | S | * | * | trans | -109.8 | 49 | -170.5 | 0 | 0 | 0 | 0 | 0 | 116 | E136 N142 | E136-A140 PolarHBondContact O-N 3.32Å; A140-N142 VanDerWaalsContact C-N 3.31Å; A140-N142 PolarHBondContact O-N 3.2Å | ||
| 141 | A | 40.4 | Very low | 46.1 | Very low | 98 Ų | 98 | 127.7 Ų | 127.7 | 81% | 0.81 | 70% | 0.7 | S | S | * | * | trans | -79.6 | 72 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 142 | N | 37.1 | Very low | 43.6 | Very low | 129 Ų | 129 | 129.4 Ų | 129.4 | 69% | 0.69 | 72% | 0.716 | S | S | * | * | trans | 15.7 | 115.9 | 160.4 | -156.8 | -44.3 | 0 | 0 | 0 | 117.6 | A140 K144 | A140-N142 VanDerWaalsContact C-N 3.31Å; A140-N142 PolarHBondContact O-N 3.2Å; N142-K144 PolarHBondContact OD1-N 3.24Å | ||
| 143 | P | 41.6 | Very low | 41.4 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 79% | 0.786 | 74% | 0.739 | S | S | * | * | -128.2 | 129.9 | 114.7 | 34.4 | -28.2 | 0 | 0 | 0 | 113.3 | E145 | P143-E145 PolarHBondContact O-N 2.85Š| |||
| 144 | K | 39.6 | Very low | 40 | Very low | 183 Ų | 183 | 140 Ų | 140 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | trans | -53.4 | 124.5 | 157.4 | -55.7 | 165.5 | 178.1 | 175.1 | 0 | 109.2 | N142 | N142-K144 PolarHBondContact OD1-N 3.24Š| ||
| 145 | E | 33.8 | Very low | 39.7 | Very low | 194 Ų | 194 | 137.4 Ų | 137.4 | 91% | 0.907 | 76% | 0.759 | S | S | * | * | trans | -142.4 | 153.2 | 140 | -77.5 | -148 | -163.6 | 0 | 0 | 111.6 | P143 | P143-E145 PolarHBondContact O-N 2.85Š| ||
| 146 | K | 32.4 | Very low | 39.8 | Very low | 148 Ų | 148 | 141.1 Ų | 141.1 | 64% | 0.643 | 77% | 0.774 | S | S | * | * | trans | -55.9 | 141.9 | -165.5 | 177.5 | -166.1 | 142.5 | -61.2 | 0 | 115.7 | E148 | K146-E148 IonicContact NZ-OE1 2.67Å; K146-E148 PolarHBondContact NZ-OE1 2.89Å; K146-E148 IonicContact NZ-OE2 2.74Å | ||
| 147 | V | 40.4 | Very low | 39.9 | Very low | 132 Ų | 132 | 144.3 Ų | 144.3 | 80% | 0.8 | 78% | 0.778 | S | S | * | * | trans | -51.6 | 137.9 | 167.5 | 177.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 148 | E | 35 | Very low | 39.7 | Very low | 165 Ų | 165 | 146.3 Ų | 146.3 | 77% | 0.771 | 79% | 0.787 | S | S | * | * | trans | -149 | 151.6 | 154.6 | -131.5 | 149.5 | -123.4 | 0 | 0 | 108.6 | K146 | K146-E148 IonicContact NZ-OE1 2.67Å; K146-E148 PolarHBondContact NZ-OE1 2.89Å; K146-E148 IonicContact NZ-OE2 2.74Å | ||
| 149 | E | 38.6 | Very low | 39.6 | Very low | 182 Ų | 182 | 144.1 Ų | 144.1 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | trans | -73.3 | 144.1 | -168.2 | -72.1 | 168 | 77.1 | 0 | 0 | 114 | ||||
| 150 | S | 26.3 | Very low | 39 | Very low | 108 Ų | 108 | 143 Ų | 143 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | -153.8 | 68.5 | 155.4 | -177.5 | 0 | 0 | 0 | 0 | 110.6 | T152 | S150-T152 PolarHBondContact O-N 2.95Š| ||
| 151 | S | 38.4 | Very low | 39.2 | Very low | 113 Ų | 113 | 145.3 Ų | 145.3 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -63.2 | 126.6 | 164.2 | -57.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 152 | T | 36.3 | Very low | 38.5 | Very low | 129 Ų | 129 | 145.7 Ų | 145.7 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | -112.6 | 132.9 | 162.3 | 45 | 0 | 0 | 0 | 0 | 109 | S150 | S150-T152 PolarHBondContact O-N 2.95Š| ||
| 153 | E | 38.8 | Very low | 38.2 | Very low | 185 Ų | 185 | 148 Ų | 148 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | -86.4 | 147.7 | -169.8 | 63.5 | -144.9 | 101.1 | 0 | 0 | 113.2 | ||||
| 154 | E | 43.8 | Very low | 37.6 | Very low | 186 Ų | 186 | 148.8 Ų | 148.8 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | trans | -142.5 | 152 | 176.4 | -84.3 | -62.4 | 162.8 | 0 | 0 | 111.3 | ||||
| 155 | S | 48.8 | Very low | 37.2 | Very low | 105 Ų | 105 | 148.3 Ų | 148.3 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | 78.5 | 103.7 | 172.5 | -146 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 156 | D | 49.7 | Very low | 37.1 | Very low | 151 Ų | 151 | 146.1 Ų | 146.1 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | trans | -54.5 | 143.1 | 158.1 | -92.6 | -75.6 | 0 | 0 | 0 | 114.2 | ||||
| 157 | R | 48.4 | Very low | 37 | Very low | 244 Ų | 244 | 146.2 Ų | 146.2 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | trans | -163.2 | 125.6 | 139.1 | -108.4 | 152.8 | -167 | 174.4 | 6.8 | 112.8 | ||||
| 158 | S | 35.4 | Very low | 36.9 | Very low | 112 Ų | 112 | 145.5 Ų | 145.5 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | trans | -93.6 | 130 | -176.3 | -178.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 159 | S | 38.4 | Very low | 36.5 | Very low | 119 Ų | 119 | 145.3 Ų | 145.3 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | -166.2 | 149.6 | 154.7 | -83.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 160 | T | 34.8 | Very low | 36.1 | Very low | 129 Ų | 129 | 140 Ų | 140 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | -134.1 | 179.3 | -175 | 58.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 161 | P | 44.8 | Very low | 36.4 | Very low | 118 Ų | 118 | 143.8 Ų | 143.8 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | cis | -132.2 | 159.7 | -48.9 | 33.7 | -19.2 | 0 | 0 | 0 | 113 | ||||
| 162 | S | 26 | Very low | 35.9 | Very low | 107 Ų | 107 | 144.7 Ų | 144.7 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | -167 | 123.7 | 146.3 | -149.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 163 | Q | 31.1 | Very low | 35.8 | Very low | 178 Ų | 178 | 148.1 Ų | 148.1 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | 42.6 | 120.7 | 136.3 | -59.9 | -170.5 | 25.2 | 0 | 0 | 124.6 | ||||
| 164 | H | 28.9 | Very low | 35.3 | Very low | 136 Ų | 136 | 149.2 Ų | 149.2 | 63% | 0.63 | 79% | 0.788 | S | S | * | * | 82.1 | 95.6 | 116.3 | -176.2 | 79.8 | 0 | 0 | 0 | 122.3 | |||||
| 165 | K | 31.7 | Very low | 34.8 | Very low | 173 Ų | 173 | 146.2 Ų | 146.2 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | 159.1 | 159.8 | 133.8 | -91.1 | 155.8 | -177 | 171.6 | 0 | 109.3 | ||||
| 166 | Q | 31.1 | Very low | 33.9 | Very low | 149 Ų | 149 | 150.7 Ų | 150.7 | 70% | 0.696 | 79% | 0.794 | S | S | * | * | cis | 166.1 | 137 | -30 | -110.9 | -170.7 | -12 | 0 | 0 | 104.8 | ||||
| 167 | H | 30.5 | Very low | 32.9 | Very low | 149 Ų | 149 | 150.4 Ų | 150.4 | 69% | 0.69 | 80% | 0.798 | S | S | * | * | trans | 66.7 | 162.8 | 173.5 | -83 | -85.3 | 0 | 0 | 0 | 116.7 | H169 | H167-H169 AromaticContact CE1-CD2 3.83Å; H167-H169 AromaticContact ND1-CD2 3.4Å; H167-H169 PolarHBondContact ND1-CD2 3.37Å | ||
| 168 | P | 38.1 | Very low | 32.1 | Very low | 118 Ų | 118 | 146.7 Ų | 146.7 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | cis | -100.2 | 161 | 13.7 | 19.6 | 2.2 | 0 | 0 | 0 | 114.2 | ||||
| 169 | H | 26.9 | Very low | 32 | Very low | 161 Ų | 161 | 150.7 Ų | 150.7 | 75% | 0.745 | 79% | 0.794 | S | S | * | * | 50.5 | 119.9 | 73.2 | -85.2 | -76.4 | 0 | 0 | 0 | 114.9 | H167 | H167-H169 AromaticContact CE1-CD2 3.83Å; H167-H169 AromaticContact ND1-CD2 3.4Å; H167-H169 PolarHBondContact ND1-CD2 3.37Å | |||
| 170 | G | 30.3 | Very low | 31.5 | Very low | 70 Ų | 70 | 153.7 Ų | 153.7 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | cis | 167.2 | 172 | -12.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 171 | K | 31.5 | Very low | 31.6 | Very low | 188 Ų | 188 | 154.6 Ų | 154.6 | 82% | 0.817 | 79% | 0.794 | S | S | * | * | trans | 61.5 | 93.5 | 159.4 | -67.2 | -174.6 | 178.4 | 178.9 | 0 | 120.8 | ||||
| 172 | T | 28.3 | Very low | 31.6 | Very low | 131 Ų | 131 | 154.5 Ų | 154.5 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | 47.1 | 129.5 | 121.3 | 58.4 | 0 | 0 | 0 | 0 | 122 | |||||
| 173 | Q | 34.1 | Very low | 32 | Very low | 201 Ų | 201 | 154.9 Ų | 154.9 | 94% | 0.939 | 80% | 0.796 | S | S | * | * | -144.7 | 157.3 | 117.9 | -112.5 | 178.6 | 12.7 | 0 | 0 | 111.8 | |||||
| 174 | K | 29.6 | Very low | 32 | Very low | 208 Ų | 208 | 154.7 Ų | 154.7 | 90% | 0.904 | 80% | 0.797 | S | S | * | * | trans | -140.4 | 134.3 | 179.8 | -87.2 | -179.2 | 175.6 | 172.2 | 0 | 109.5 | ||||
| 175 | S | 32.1 | Very low | 32.5 | Very low | 124 Ų | 124 | 160.1 Ų | 160.1 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | trans | -152.1 | 136.5 | 153.8 | 49.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 176 | K | 30.9 | Very low | 33.3 | Very low | 198 Ų | 198 | 157.7 Ų | 157.7 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | trans | -96.1 | 165.1 | 174.7 | -61.2 | 175.5 | 176 | -179.3 | 0 | 109.8 | ||||
| 177 | T | 28.9 | Very low | 33.9 | Very low | 145 Ų | 145 | 156.9 Ų | 156.9 | 89% | 0.89 | 82% | 0.822 | S | S | * | * | -151.2 | 161 | 125.4 | -78.6 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 178 | H | 30.6 | Very low | 34 | Very low | 167 Ų | 167 | 152.9 Ų | 152.9 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | trans | -140.5 | 173.9 | -165.3 | -148.1 | -103 | 0 | 0 | 0 | 109.8 | ||||
| 179 | K | 32.6 | Very low | 34 | Very low | 196 Ų | 196 | 157 Ų | 157 | 85% | 0.852 | 83% | 0.827 | S | S | * | * | trans | 100.1 | 140.8 | 179.8 | -60.1 | 161.3 | -176.6 | -178.6 | 0 | 113.6 | ||||
| 180 | H | 29.1 | Very low | 34.8 | Very low | 181 Ų | 181 | 155.2 Ų | 155.2 | 84% | 0.838 | 83% | 0.83 | S | S | * | * | cis | -159.4 | 158.5 | -21.4 | -162.7 | -91.8 | 0 | 0 | 0 | 110 | ||||
| 181 | L | 35.6 | Very low | 35 | Very low | 149 Ų | 149 | 155.1 Ų | 155.1 | 78% | 0.78 | 83% | 0.829 | S | S | * | * | trans | -89.4 | -177.7 | 177.7 | -78.6 | 165.1 | 0 | 0 | 0 | 112.4 | ||||
| 182 | P | 46.8 | Very low | 36 | Very low | 115 Ų | 115 | 156 Ų | 156 | 75% | 0.747 | 83% | 0.833 | S | S | * | * | cis | -131.4 | 179.6 | -11 | 30.5 | -10.1 | 0 | 0 | 0 | 114.6 | ||||
| 183 | S | 32.6 | Very low | 37.4 | Very low | 116 Ų | 116 | 155.2 Ų | 155.2 | 81% | 0.811 | 83% | 0.83 | S | S | * | * | trans | -160.8 | 121.7 | 138.7 | -159.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 184 | M | 31.6 | Very low | 38 | Very low | 174 Ų | 174 | 151.6 Ų | 151.6 | 86% | 0.857 | 82% | 0.824 | S | S | * | * | trans | 21.2 | 127.6 | 142.1 | -144.6 | 157.9 | -77.9 | 0 | 0 | 122.2 | ||||
| 185 | W | 39.2 | Very low | 38.7 | Very low | 249 Ų | 249 | 144.8 Ų | 144.8 | 94% | 0.943 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 143.7 | 161 | -73.1 | -5.4 | 0 | 0 | 0 | 112.4 | ||
| 186 | P | 49.2 | Very low | 39.7 | Very low | 122 Ų | 122 | 144.9 Ų | 144.9 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 144 | 159.8 | 35.3 | -30.7 | 0 | 0 | 0 | 112 | ||
| 187 | P | 43.6 | Very low | 40.6 | Very low | 133 Ų | 133 | 140.8 Ų | 140.8 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -101 | 147.3 | 176.6 | 36.4 | -32.3 | 0 | 0 | 0 | 113.9 | ||
| 188 | G | 32.3 | Very low | 41.4 | Very low | 64 Ų | 64 | 139.9 Ų | 139.9 | 66% | 0.66 | 80% | 0.801 | S | S | * | * | trans | 137.6 | 149.5 | 147.6 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 189 | F | 38.7 | Very low | 42 | Very low | 206 Ų | 206 | 140.9 Ų | 140.9 | 90% | 0.904 | 81% | 0.808 | S | S | * | * | trans | 78 | 146.7 | 161 | -68 | -82.4 | 0 | 0 | 0 | 118.7 | ||||
| 190 | P | 44.5 | Very low | 42.3 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | -142.9 | -166.8 | -126.1 | 42.7 | -22.2 | 0 | 0 | 0 | 114.8 | |||||
| 191 | G | 34.5 | Very low | 42.6 | Very low | 68 Ų | 68 | 137.9 Ų | 137.9 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | trans | 128.2 | 71.4 | 148.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 192 | F | 50.8 | Low | 42.5 | Very low | 206 Ų | 206 | 140.7 Ų | 140.7 | 90% | 0.904 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 128.6 | 151.6 | -91.3 | -96.7 | 0 | 0 | 0 | 109 | ||
| 193 | P | 57.6 | Low | 41.9 | Very low | 115 Ų | 115 | 138 Ų | 138 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 133.8 | 172 | 30 | -32.7 | 0 | 0 | 0 | 110.6 | ||
| 194 | P | 48.1 | Very low | 42.2 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 143.8 | 175.6 | 31.2 | -34.2 | 0 | 0 | 0 | 111.6 | ||
| 195 | G | 42.9 | Very low | 42.1 | Very low | 64 Ų | 64 | 144.2 Ų | 144.2 | 66% | 0.66 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -72 | 152.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 196 | P | 53.7 | Low | 41.9 | Very low | 126 Ų | 126 | 137.7 Ų | 137.7 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 139.4 | -178.8 | 28.7 | -34.3 | 0 | 0 | 0 | 112.7 | ||
| 197 | P | 50.2 | Low | 41.3 | Very low | 113 Ų | 113 | 139.4 Ų | 139.4 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 166.3 | 177.2 | 32.8 | -35.8 | 0 | 0 | 0 | 113.1 | ||
| 198 | P | 46.3 | Very low | 41 | Very low | 126 Ų | 126 | 141.7 Ų | 141.7 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -79 | 160.8 | -172.8 | 32.8 | -37.3 | 0 | 0 | 0 | 113.9 | ||
| 199 | M | 41.8 | Very low | 41.2 | Very low | 188 Ų | 188 | 149.9 Ų | 149.9 | 93% | 0.926 | 79% | 0.788 | S | S | * | * | trans | -110.1 | 134.1 | 165.1 | -70.6 | -166.6 | 69.7 | 0 | 0 | 110.9 | ||||
| 200 | H | 39.3 | Very low | 40.9 | Very low | 174 Ų | 174 | 145.5 Ų | 145.5 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | trans | -85 | 173.6 | 173.9 | -114.5 | -76.2 | 0 | 0 | 0 | 112.1 | ||||
| 201 | D | 35.5 | Very low | 40.5 | Very low | 140 Ų | 140 | 144.9 Ų | 144.9 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | trans | -43.3 | 143.1 | -175.3 | -53.6 | -98 | 0 | 0 | 0 | 116.6 | ||||
| 202 | F | 34.3 | Very low | 40.6 | Very low | 208 Ų | 208 | 145 Ų | 145 | 91% | 0.912 | 79% | 0.79 | S | S | * | * | trans | -122.2 | 116 | 153.3 | -159.4 | -88.4 | 0 | 0 | 0 | 109.9 | ||||
| 203 | G | 33.8 | Very low | 40.3 | Very low | 57 Ų | 57 | 144.5 Ų | 144.5 | 59% | 0.588 | 79% | 0.79 | S | S | * | * | trans | -81 | 138.6 | -166 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 204 | H | 37.5 | Very low | 39.4 | Very low | 171 Ų | 171 | 142.1 Ų | 142.1 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | trans | 47 | 107.3 | 136.6 | -162.3 | -87.9 | 0 | 0 | 0 | 119.2 | ||||
| 205 | R | 31.1 | Very low | 39.6 | Very low | 250 Ų | 250 | 142.3 Ų | 142.3 | 94% | 0.943 | 79% | 0.787 | S | S | * | * | trans | -132.1 | 123.2 | 150.1 | -163 | 172.4 | -173.7 | -134.2 | -0.7 | 112.1 | ||||
| 206 | E | 35 | Very low | 40.3 | Very low | 113 Ų | 113 | 145.5 Ų | 145.5 | 53% | 0.528 | 79% | 0.794 | S | S | . | * | trans | -72.7 | 138.9 | -176.1 | -178.1 | -170.9 | 154.7 | 0 | 0 | 113.1 | R208 | E206-R208 HydrophobicContact CG-CG 4.49Å; E206-R208 IonicContact OE1-CZ 2.71Å; E206-R208 IonicContact OE1-NE 2.63Å; E206-R208 PolarHBondContact OE1-NE 2.99Å; E206-R208 IonicContact OE1-NH2 3.87Å; E206-R208 PolarHBondContact OE1-NH2 2.97Å | ||
| 207 | N | 36.3 | Very low | 40.6 | Very low | 157 Ų | 157 | 144.4 Ų | 144.4 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | trans | -148.7 | 148.7 | 140.5 | -161.1 | 5.1 | 0 | 0 | 0 | 110.5 | ||||
| 208 | R | 35.9 | Very low | 41.1 | Very low | 182 Ų | 182 | 144.8 Ų | 144.8 | 69% | 0.687 | 79% | 0.789 | S | S | * | * | trans | -103.9 | 145 | -169.4 | -50.8 | 176 | -168.8 | -169.3 | -2 | 111.4 | E206 | E206-R208 HydrophobicContact CG-CG 4.49Å; E206-R208 IonicContact OE1-CZ 2.71Å; E206-R208 IonicContact OE1-NE 2.63Å; E206-R208 PolarHBondContact OE1-NE 2.99Å; E206-R208 IonicContact OE1-NH2 3.87Å; E206-R208 PolarHBondContact OE1-NH2 2.97Å | ||
| 209 | R | 37.3 | Very low | 41.8 | Very low | 236 Ų | 236 | 144 Ų | 144 | 89% | 0.891 | 79% | 0.787 | S | S | * | * | -178.2 | 129.9 | 129.1 | -95 | 144.6 | -155.7 | -135.4 | 2.8 | 113.8 | |||||
| 210 | S | 32.4 | Very low | 42.5 | Very low | 113 Ų | 113 | 146 Ų | 146 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | 35.4 | 115.3 | 143.4 | -51 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 211 | A | 37.1 | Very low | 43.5 | Very low | 111 Ų | 111 | 142.7 Ų | 142.7 | 92% | 0.917 | 78% | 0.778 | S | S | * | * | trans | 4.2 | 117 | 141.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 212 | G | 36.5 | Very low | 44.2 | Very low | 70 Ų | 70 | 141.9 Ų | 141.9 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | trans | -162.8 | 134.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | G214 | G212-G214 PolarHBondContact O-N 3.42Š| ||
| 213 | H | 44.5 | Very low | 45.3 | Very low | 195 Ų | 195 | 140.9 Ų | 140.9 | 90% | 0.903 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 119.1 | -171.7 | -59.2 | -90.8 | 0 | 0 | 0 | 112.7 | ||
| 214 | G | 38.3 | Very low | 46.3 | Very low | 65 Ų | 65 | 146.7 Ų | 146.7 | 67% | 0.67 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 134.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | G212 V216 | G212-G214 PolarHBondContact O-N 3.42Å; G214-V216 PolarHBondContact O-N 2.8Å |
| 215 | P | 51 | Low | 47.2 | Very low | 129 Ų | 129 | 143.3 Ų | 143.3 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 128.7 | 172.4 | -20.2 | 32.2 | 0 | 0 | 0 | 110.2 | ||
| 216 | V | 58.7 | Low | 48.1 | Very low | 132 Ų | 132 | 141.3 Ų | 141.3 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 124.5 | 167.7 | -178.5 | 0 | 0 | 0 | 0 | 107.4 | G214 | G214-V216 PolarHBondContact O-N 2.8Š|
| 217 | P | 59.7 | Low | 49.3 | Very low | 103 Ų | 103 | 138.7 Ų | 138.7 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -63 | 136.3 | 176.7 | 26.6 | -33.7 | 0 | 0 | 0 | 109.2 | S219 | P217-S219 PolarHBondContact O-N 3.43Š|
| 218 | P | 61.8 | Low | 50.3 | Low | 120 Ų | 120 | 136.1 Ų | 136.1 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -61 | 125.9 | 178.7 | 25.4 | -33.3 | 0 | 0 | 0 | 109.5 | W220 | P218-W220 PolarHBondContact O-N 2.85Š|
| 219 | S | 60.4 | Low | 51.4 | Low | 111 Ų | 111 | 132.2 Ų | 132.2 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -79 | 46.5 | -172.5 | 62.9 | 0 | 0 | 0 | 0 | 113.5 | P217 | P217-S219 PolarHBondContact O-N 3.43Š|
| 220 | W | 55.3 | Low | 52.4 | Low | 230 Ų | 230 | 129.4 Ų | 129.4 | 87% | 0.871 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -175.5 | 141.9 | 156.7 | -91.9 | -49.4 | 0 | 0 | 0 | 109.9 | P218 | P218-W220 PolarHBondContact O-N 2.85Š|
| 221 | P | 60.3 | Low | 53.9 | Low | 104 Ų | 104 | 128.3 Ų | 128.3 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | trans | -68.7 | 155.5 | 160.3 | 32.1 | -34.1 | 0 | 0 | 0 | 110.3 | M223 | P221-M223 PolarHBondContact O-N 3.48Š| ||
| 222 | P | 52 | Low | 55.2 | Low | 122 Ų | 122 | 126.8 Ų | 126.8 | 79% | 0.792 | 74% | 0.744 | S | S | * | * | trans | -62 | 136.2 | 174.6 | 27.2 | -34.4 | 0 | 0 | 0 | 110.6 | M224 | P222-M224 PolarHBondContact O-N 2.96Š| ||
| 223 | M | 55.9 | Low | 56.4 | Low | 187 Ų | 187 | 129.2 Ų | 129.2 | 92% | 0.921 | 75% | 0.747 | S | S | * | * | trans | -62.4 | 108.7 | 179.1 | -62.9 | 179.5 | 74.2 | 0 | 0 | 110.4 | P221 | P221-M223 PolarHBondContact O-N 3.48Š| ||
| 224 | M | 54.8 | Low | 57.3 | Low | 180 Ų | 180 | 123.7 Ų | 123.7 | 89% | 0.887 | 73% | 0.728 | S | S | * | * | trans | -66.1 | 129.7 | 169.6 | -77.8 | -152.4 | -80.1 | 0 | 0 | 109.8 | P222 | P222-M224 PolarHBondContact O-N 2.96Š| ||
| 225 | P | 57.2 | Low | 58.9 | Low | 100 Ų | 100 | 124.9 Ų | 124.9 | 65% | 0.649 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -78.3 | 146.7 | 175.2 | 33.9 | -35 | 0 | 0 | 0 | 110.7 | ||
| 226 | F | 50.3 | Low | 59.7 | Low | 208 Ų | 208 | 125.1 Ų | 125.1 | 91% | 0.912 | 73% | 0.726 | S | S | * | * | trans | 70.7 | 62.4 | 171.6 | -47.6 | -69.6 | 0 | 0 | 0 | 117.6 | ||||
| 227 | G | 60.2 | Low | 59.8 | Low | 58 Ų | 58 | 125.7 Ų | 125.7 | 60% | 0.598 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -111.6 | 164.2 | 144.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 228 | P | 55.8 | Low | 59.7 | Low | 103 Ų | 103 | 123.9 Ų | 123.9 | 67% | 0.669 | 71% | 0.711 | S | S | * | * | trans | -58 | 152.9 | 158.7 | 29.3 | -34.2 | 0 | 0 | 0 | 109.2 | M230 | P228-M230 PolarHBondContact O-N 3.29Š| ||
| 229 | P | 60.6 | Low | 59.5 | Low | 99 Ų | 99 | 124.3 Ų | 124.3 | 64% | 0.643 | 71% | 0.714 | S | S | * | * | trans | -61.1 | 110.4 | -176.6 | 25.6 | -33.9 | 0 | 0 | 0 | 109.9 | I231 L265 | P229-I231 PolarHBondContact O-N 3.07Å; P229-L265 HydrophobicContact CG-CD1 4.38Å | ||
| 230 | M | 57.9 | Low | 59.3 | Low | 177 Ų | 177 | 126 Ų | 126 | 87% | 0.872 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 120.6 | 174 | -64.9 | -160.3 | -52.2 | 0 | 0 | 108.6 | P228 | P228-M230 PolarHBondContact O-N 3.29Š|
| 231 | I | 64.2 | Low | 59.3 | Low | 90 Ų | 90 | 120.2 Ų | 120.2 | 46% | 0.462 | 70% | 0.698 | S | S | . | * | P | Polyproline II helix | trans | -51.4 | 129.4 | 159.9 | -61.2 | 161.4 | 0 | 0 | 0 | 106.4 | P229 W254 | P229-I231 PolarHBondContact O-N 3.07Å; I231-W254 HydrophobicContact CG2-CD2 4.47Å; I231-W254 HydrophobicContact CG2-CH2 3.61Å; I231-W254 HydrophobicContact CG2-CZ2 3.21Å; I231-W254 HydrophobicContact CG2-CZ3 4.37Å |
| 232 | P | 62.8 | Low | 59 | Low | 80 Ų | 80 | 121 Ų | 121 | 52% | 0.519 | 70% | 0.701 | S | S | . | * | P | Polyproline II helix | trans | -60.7 | 153.6 | 179.6 | 22.1 | -28.7 | 0 | 0 | 0 | 110.3 | W254 | P232-W254 HydrophobicContact CG-CZ2 3.98Å; P232-W254 VanDerWaalsContact O-CH2 3.23Å; P232-W254 WeakPolarHBondContact O-CH2 3.44Å; P232-W254 WeakPolarHBondContact O-CZ2 3.49Å |
| 233 | P | 62.6 | Low | 59.4 | Low | 121 Ų | 121 | 122.2 Ų | 122.2 | 79% | 0.786 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 140.1 | 174.9 | 26.7 | -33.9 | 0 | 0 | 0 | 109.9 | ||
| 234 | P | 64.3 | Low | 60.3 | Low | 78 Ų | 78 | 116.5 Ų | 116.5 | 51% | 0.506 | 67% | 0.674 | S | S | . | * | P | Polyproline II helix | trans | -62.2 | 153 | 175.6 | 27.2 | -34.1 | 0 | 0 | 0 | 110.6 | W254 | P234-W254 HydrophobicContact CB-CH2 4.06Å; P234-W254 HydrophobicContact CB-CZ3 4.11Å |
| 235 | P | 70.5 | Confident | 61.6 | Low | 91 Ų | 91 | 115.8 Ų | 115.8 | 59% | 0.591 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 146.3 | 177.3 | -22.4 | 33.5 | 0 | 0 | 0 | 112 | M237 | P235-M237 PolarHBondContact O-N 2.89Å; P235-M237 VanDerWaalsContact O-N 3.12Å |
| 236 | P | 68.9 | Low | 62.9 | Low | 134 Ų | 134 | 114.1 Ų | 114.1 | 87% | 0.87 | 66% | 0.663 | S | S | * | * | trans | -66.4 | 112 | 174 | 27.8 | -33.3 | 0 | 0 | 0 | 110 | ||||
| 237 | M | 60.8 | Low | 64.6 | Low | 143 Ų | 143 | 107.3 Ų | 107.3 | 70% | 0.704 | 64% | 0.636 | S | S | * | * | trans | -77.2 | 138.8 | -179 | -66.2 | 172.1 | 163.8 | 0 | 0 | 112.1 | P235 L251 | P235-M237 PolarHBondContact O-N 2.89Å; P235-M237 VanDerWaalsContact O-N 3.12Å; M237-L251 HydrophobicContact CE-CD1 3.49Å; M237-L251 VanDerWaalsContact CE-CD1 3.49Å | ||
| 238 | S | 56.4 | Low | 65.8 | Low | 65 Ų | 65 | 106.3 Ų | 106.3 | 46% | 0.455 | 63% | 0.625 | S | S | . | * | trans | -81.5 | 146.9 | 150.8 | 46 | 0 | 0 | 0 | 0 | 109.3 | D240 | S238-D240 PolarHBondContact O-N 3.14Š| ||
| 239 | P | 59.2 | Low | 67.3 | Low | 129 Ų | 129 | 104.1 Ų | 104.1 | 84% | 0.838 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | 6.1 | 176.5 | -22.5 | 34.9 | 0 | 0 | 0 | 116 | ||
| 240 | D | 55.1 | Low | 68.8 | Low | 148 Ų | 148 | 104 Ų | 104 | 79% | 0.791 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112 | 15.2 | -165.2 | -155.5 | 43.5 | 0 | 0 | 0 | 112.1 | S238 | S238-D240 PolarHBondContact O-N 3.14Š|
| 241 | M | 54.7 | Low | 70.2 | Confident | 107 Ų | 107 | 97.4 Ų | 97.4 | 53% | 0.527 | 58% | 0.578 | S | S | . | * | trans | -135.2 | 27.6 | -178.4 | -62.5 | -155.7 | 73.8 | 0 | 0 | 112.6 | L247 | M241-L247 HydrophobicContact CB-CD2 4.5Š| ||
| 242 | V | 55.7 | Low | 71.4 | Confident | 120 Ų | 120 | 98.1 Ų | 98.1 | 73% | 0.727 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -79 | -25 | 179.6 | 63.4 | 0 | 0 | 0 | 0 | 112.6 | D244 | V242-D244 VanDerWaalsContact C-N 3.33Å; V242-D244 PolarHBondContact O-N 2.99Å |
| 243 | D | 58.9 | Low | 72.6 | Confident | 148 Ų | 148 | 97.7 Ų | 97.7 | 79% | 0.791 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -84.1 | 0.6 | -178.7 | -52.6 | -85.5 | 0 | 0 | 0 | 114.3 | E245 | D243-E245 PolarHBondContact O-N 2.97Å; D243-E245 VanDerWaalsContact O-N 3.14Å |
| 244 | D | 74.8 | Confident | 73.9 | Confident | 67 Ų | 67 | 96.3 Ų | 96.3 | 36% | 0.358 | 56% | 0.56 | S | S | . | * | trans | -80.4 | 91.9 | 172.6 | -174.5 | -21.5 | 0 | 0 | 0 | 109.9 | V242 A246 L247 G248 | V242-D244 VanDerWaalsContact C-N 3.33Å; V242-D244 PolarHBondContact O-N 2.99Å; D244-A246 PolarHBondContact O-N 3.22Å; D244-A246 WeakPolarHBondContact OD1-CA 3.49Å; D244-A246 WeakPolarHBondContact OD1-CB 3.45Å; D244-A246 PolarHBondContact OD1-N 2.73Å; D244-L247 HydrophobicContact CB-CB 3.82Å; D244-L247 PolarHBondContact O-N 3.03Å; D244-L247 VanDerWaalsContact O-N 3.14Å; D244-L247 PolarHBondContact OD1-N 3.46Å; D244-G248 PolarHBondContact O-N 3.3Å | ||
| 245 | E | 82 | Confident | 75.2 | Confident | 165 Ų | 165 | 99.6 Ų | 99.6 | 77% | 0.771 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -55.1 | -32.8 | 177.5 | -175.6 | 179.8 | -164.6 | 0 | 0 | 112.8 | D243 S249 | D243-E245 PolarHBondContact O-N 2.97Å; D243-E245 VanDerWaalsContact O-N 3.14Å; E245-S249 VanDerWaalsContact O-CB 3.24Å; E245-S249 WeakPolarHBondContact O-CB 3.47Å; E245-S249 PolarHBondContact O-N 2.95Å; E245-S249 PolarHBondContact O-OG 3.13Å |
| 246 | A | 84.5 | Confident | 76.4 | Confident | 65 Ų | 65 | 99.1 Ų | 99.1 | 54% | 0.537 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -73.5 | -41.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | D244 S249 V250 | D244-A246 PolarHBondContact O-N 3.22Å; D244-A246 WeakPolarHBondContact OD1-CA 3.49Å; D244-A246 WeakPolarHBondContact OD1-CB 3.45Å; D244-A246 PolarHBondContact OD1-N 2.73Å; A246-S249 PolarHBondContact O-N 3.11Å; A246-V250 WeakPolarHBondContact O-CG2 3.39Å; A246-V250 PolarHBondContact O-N 2.84Å |
| 247 | L | 85.9 | Confident | 77.5 | Confident | 66 Ų | 66 | 96.3 Ų | 96.3 | 35% | 0.346 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 171.6 | 179.9 | 59.7 | 0 | 0 | 0 | 111.4 | M241 D244 S249 V250 L251 | M241-L247 HydrophobicContact CB-CD2 4.5Å; D244-L247 HydrophobicContact CB-CB 3.82Å; D244-L247 PolarHBondContact O-N 3.03Å; D244-L247 VanDerWaalsContact O-N 3.14Å; D244-L247 PolarHBondContact OD1-N 3.46Å; L247-S249 VanDerWaalsContact C-N 3.34Å; L247-S249 PolarHBondContact O-N 3.16Å; L247-V250 PolarHBondContact O-N 3.42Å; L247-L251 HydrophobicContact CD1-CD1 4.12Å; L247-L251 HydrophobicContact CD1-CG 4.28Å; L247-L251 HydrophobicContact CG-CD1 3.98Å; L247-L251 WeakPolarHBondContact O-CB 3.45Å; L247-L251 VanDerWaalsContact O-CG 3.28Å; L247-L251 WeakPolarHBondContact O-CG 3.45Å; L247-L251 PolarHBondContact O-N 3.46Å |
| 248 | G | 86.9 | Confident | 79.2 | Confident | 36 Ų | 36 | 90 Ų | 90 | 37% | 0.371 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -56.6 | -46.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | D244 V250 L251 I252 | D244-G248 PolarHBondContact O-N 3.3Å; G248-V250 PolarHBondContact O-N 3.4Å; G248-L251 PolarHBondContact O-N 2.99Å; G248-I252 WeakPolarHBondContact O-CG2 3.31Å; G248-I252 PolarHBondContact O-N 3.04Å |
| 249 | S | 87.2 | Confident | 80.9 | Confident | 58 Ų | 58 | 92.8 Ų | 92.8 | 41% | 0.406 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61 | -40.6 | 176.9 | -65.8 | 0 | 0 | 0 | 0 | 113 | E245 A246 L247 I252 S253 | E245-S249 VanDerWaalsContact O-CB 3.24Å; E245-S249 WeakPolarHBondContact O-CB 3.47Å; E245-S249 PolarHBondContact O-N 2.95Å; E245-S249 PolarHBondContact O-OG 3.13Å; A246-S249 PolarHBondContact O-N 3.11Å; L247-S249 VanDerWaalsContact C-N 3.34Å; L247-S249 PolarHBondContact O-N 3.16Å; S249-I252 WeakPolarHBondContact O-CG2 3.15Å; S249-S253 VanDerWaalsContact O-CB 3.23Å; S249-S253 WeakPolarHBondContact O-CB 3.29Å; S249-S253 PolarHBondContact O-N 2.95Å; S249-S253 PolarHBondContact O-OG 3.17Å |
| 250 | V | 91.9 | Very high | 82.4 | Confident | 95 Ų | 95 | 91.3 Ų | 91.3 | 58% | 0.576 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.3 | -44.9 | 175.2 | 169 | 0 | 0 | 0 | 0 | 110.7 | A246 L247 G248 S253 W254 | A246-V250 WeakPolarHBondContact O-CG2 3.39Å; A246-V250 PolarHBondContact O-N 2.84Å; L247-V250 PolarHBondContact O-N 3.42Å; G248-V250 PolarHBondContact O-N 3.4Å; V250-S253 PolarHBondContact O-N 3.02Å; V250-W254 VanDerWaalsContact O-CB 3.26Å; V250-W254 WeakPolarHBondContact O-CB 3.06Å; V250-W254 PolarHBondContact O-N 3.33Å |
| 251 | L | 86.6 | Confident | 84.2 | Confident | 39 Ų | 39 | 87.7 Ų | 87.7 | 20% | 0.204 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -66.5 | -41.4 | -178.4 | -71.6 | 168.6 | 0 | 0 | 0 | 112.5 | M237 L247 G248 W254 Y255 | M237-L251 HydrophobicContact CE-CD1 3.49Å; M237-L251 VanDerWaalsContact CE-CD1 3.49Å; L247-L251 HydrophobicContact CD1-CD1 4.12Å; L247-L251 HydrophobicContact CD1-CG 4.28Å; L247-L251 HydrophobicContact CG-CD1 3.98Å; L247-L251 WeakPolarHBondContact O-CB 3.45Å; L247-L251 VanDerWaalsContact O-CG 3.28Å; L247-L251 WeakPolarHBondContact O-CG 3.45Å; L247-L251 PolarHBondContact O-N 3.46Å; G248-L251 PolarHBondContact O-N 2.99Å; L251-W254 PolarHBondContact O-N 2.56Å; L251-Y255 WeakPolarHBondContact O-CB 3.35Å; L251-Y255 PolarHBondContact O-N 3.24Å |
| 252 | I | 89.4 | Confident | 85.9 | Confident | 105 Ų | 105 | 84.5 Ų | 84.5 | 54% | 0.538 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -71 | -40.2 | 176.7 | -161 | 167.9 | 0 | 0 | 0 | 111.4 | G248 S249 W254 Y255 M256 | G248-I252 WeakPolarHBondContact O-CG2 3.31Å; G248-I252 PolarHBondContact O-N 3.04Å; S249-I252 WeakPolarHBondContact O-CG2 3.15Å; I252-W254 VanDerWaalsContact C-N 3.28Å; I252-W254 PolarHBondContact O-N 2.86Å; I252-Y255 PolarHBondContact O-N 3.09Å; I252-M256 HydrophobicContact CG1-CG 4.29Å; I252-M256 WeakPolarHBondContact O-CB 3.17Å; I252-M256 VanDerWaalsContact O-CG 3.28Å; I252-M256 WeakPolarHBondContact O-CG 3.23Å; I252-M256 PolarHBondContact O-N 3.03Å |
| 253 | S | 88.5 | Confident | 87.5 | Confident | 72 Ų | 72 | 84.2 Ų | 84.2 | 50% | 0.503 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -57.2 | -42.6 | 173.5 | -63.8 | 0 | 0 | 0 | 0 | 112 | S249 V250 S257 | S249-S253 VanDerWaalsContact O-CB 3.23Å; S249-S253 WeakPolarHBondContact O-CB 3.29Å; S249-S253 PolarHBondContact O-N 2.95Å; S249-S253 PolarHBondContact O-OG 3.17Å; V250-S253 PolarHBondContact O-N 3.02Å; S253-S257 VanDerWaalsContact O-CB 3.31Å; S253-S257 WeakPolarHBondContact O-CB 3.42Å; S253-S257 PolarHBondContact O-N 3.13Å; S253-S257 PolarHBondContact O-OG 2.84Å |
| 254 | W | 89.5 | Confident | 89 | Confident | 92 Ų | 92 | 83.5 Ų | 83.5 | 35% | 0.348 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -69.4 | -43.4 | 177.5 | 174.8 | 80.7 | 0 | 0 | 0 | 112.6 | I231 P232 P234 V250 L251 I252 S257 G258 | I231-W254 HydrophobicContact CG2-CD2 4.47Å; I231-W254 HydrophobicContact CG2-CH2 3.61Å; I231-W254 HydrophobicContact CG2-CZ2 3.21Å; I231-W254 HydrophobicContact CG2-CZ3 4.37Å; P232-W254 HydrophobicContact CG-CZ2 3.98Å; P232-W254 VanDerWaalsContact O-CH2 3.23Å; P232-W254 WeakPolarHBondContact O-CH2 3.44Å; P232-W254 WeakPolarHBondContact O-CZ2 3.49Å; P234-W254 HydrophobicContact CB-CH2 4.06Å; P234-W254 HydrophobicContact CB-CZ3 4.11Å; V250-W254 VanDerWaalsContact O-CB 3.26Å; V250-W254 WeakPolarHBondContact O-CB 3.06Å; V250-W254 PolarHBondContact O-N 3.33Å; L251-W254 PolarHBondContact O-N 2.56Å; I252-W254 VanDerWaalsContact C-N 3.28Å; I252-W254 PolarHBondContact O-N 2.86Å; W254-S257 PolarHBondContact O-N 2.93Å; W254-G258 PolarHBondContact O-N 3.45Å |
| 255 | Y | 92.8 | Very high | 89.7 | Confident | 146 Ų | 146 | 83.8 Ų | 83.8 | 57% | 0.573 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -59.4 | -50.6 | 174.2 | 172.8 | -96.1 | 0 | 0 | 0 | 111.8 | L251 I252 S257 G258 Y259 | L251-Y255 WeakPolarHBondContact O-CB 3.35Å; L251-Y255 PolarHBondContact O-N 3.24Å; I252-Y255 PolarHBondContact O-N 3.09Å; Y255-S257 PolarHBondContact O-N 3.05Å; Y255-G258 CarbonylContact O-C 3.6Å; Y255-G258 WeakPolarHBondContact O-CA 3.48Å; Y255-G258 PolarHBondContact O-N 3.03Å; Y255-G258 VanDerWaalsContact O-N 3.11Å; Y255-Y259 PolarHBondContact O-N 2.7Å |
| 256 | M | 94.4 | Very high | 90.2 | Very high | 81 Ų | 81 | 78.1 Ų | 78.1 | 40% | 0.399 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 179.2 | -66.9 | -59.1 | -73.6 | 0 | 0 | 111.3 | I252 G258 Y259 H260 | I252-M256 HydrophobicContact CG1-CG 4.29Å; I252-M256 WeakPolarHBondContact O-CB 3.17Å; I252-M256 VanDerWaalsContact O-CG 3.28Å; I252-M256 WeakPolarHBondContact O-CG 3.23Å; I252-M256 PolarHBondContact O-N 3.03Å; M256-G258 VanDerWaalsContact C-N 3.26Å; M256-G258 PolarHBondContact O-N 2.74Å; M256-Y259 PolarHBondContact O-N 3.06Å; M256-Y259 VanDerWaalsContact O-N 3.16Å; M256-H260 PolarHBondContact O-CD2 3.34Å; M256-H260 PolarHBondContact O-N 3.11Å |
| 257 | S | 93.2 | Very high | 90.3 | Very high | 76 Ų | 76 | 78.2 Ų | 78.2 | 53% | 0.531 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -56.2 | -40.9 | 173.7 | -62.8 | 0 | 0 | 0 | 0 | 112.4 | S253 W254 Y255 T261 | S253-S257 VanDerWaalsContact O-CB 3.31Å; S253-S257 WeakPolarHBondContact O-CB 3.42Å; S253-S257 PolarHBondContact O-N 3.13Å; S253-S257 PolarHBondContact O-OG 2.84Å; W254-S257 PolarHBondContact O-N 2.93Å; Y255-S257 PolarHBondContact O-N 3.05Å; S257-T261 VanDerWaalsContact O-CB 3.3Å; S257-T261 WeakPolarHBondContact O-CB 3.37Å; S257-T261 PolarHBondContact O-N 3.04Å; S257-T261 PolarHBondContact O-OG1 3.34Å |
| 258 | G | 94.6 | Very high | 90.3 | Very high | 11 Ų | 11 | 79.7 Ų | 79.7 | 11% | 0.113 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -66.4 | -46.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | W254 Y255 M256 T261 G262 | W254-G258 PolarHBondContact O-N 3.45Å; Y255-G258 CarbonylContact O-C 3.6Å; Y255-G258 WeakPolarHBondContact O-CA 3.48Å; Y255-G258 PolarHBondContact O-N 3.03Å; Y255-G258 VanDerWaalsContact O-N 3.11Å; M256-G258 VanDerWaalsContact C-N 3.26Å; M256-G258 PolarHBondContact O-N 2.74Å; G258-T261 PolarHBondContact O-N 3.26Å; G258-G262 PolarHBondContact O-N 3.47Å |
| 259 | Y | 93.5 | Very high | 90.3 | Very high | 123 Ų | 123 | 82.1 Ų | 82.1 | 48% | 0.482 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -58.2 | -55.6 | 178.3 | 174.8 | -93.3 | 0 | 0 | 0 | 111.9 | Y255 M256 T261 G262 Y263 | Y255-Y259 PolarHBondContact O-N 2.7Å; M256-Y259 PolarHBondContact O-N 3.06Å; M256-Y259 VanDerWaalsContact O-N 3.16Å; Y259-T261 VanDerWaalsContact C-N 3.29Å; Y259-T261 PolarHBondContact O-N 2.9Å; Y259-G262 PolarHBondContact O-N 2.98Å; Y259-G262 VanDerWaalsContact O-N 3.12Å; Y259-Y263 WeakPolarHBondContact O-CB 3.11Å; Y259-Y263 PolarHBondContact O-N 3.45Å |
| 260 | H | 91.1 | Very high | 90.1 | Very high | 97 Ų | 97 | 81.4 Ų | 81.4 | 45% | 0.449 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.6 | -36.4 | 180 | -69 | -73 | 0 | 0 | 0 | 111.9 | M256 Y263 Y264 | M256-H260 PolarHBondContact O-CD2 3.34Å; M256-H260 PolarHBondContact O-N 3.11Å; H260-Y263 PolarHBondContact O-N 3.29Å; H260-Y264 WeakPolarHBondContact O-CB 3.24Å; H260-Y264 PolarHBondContact O-N 2.95Å |
| 261 | T | 91.5 | Very high | 89.7 | Confident | 73 Ų | 73 | 85 Ų | 85 | 45% | 0.448 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.8 | -45.7 | 173.7 | -62.5 | 0 | 0 | 0 | 0 | 111.6 | S257 G258 Y259 L265 | S257-T261 VanDerWaalsContact O-CB 3.3Å; S257-T261 WeakPolarHBondContact O-CB 3.37Å; S257-T261 PolarHBondContact O-N 3.04Å; S257-T261 PolarHBondContact O-OG1 3.34Å; G258-T261 PolarHBondContact O-N 3.26Å; Y259-T261 VanDerWaalsContact C-N 3.29Å; Y259-T261 PolarHBondContact O-N 2.9Å; T261-L265 HydrophobicContact CG2-CD1 4.05Å; T261-L265 WeakPolarHBondContact O-CB 3.23Å; T261-L265 WeakPolarHBondContact O-CD1 3.47Å; T261-L265 VanDerWaalsContact O-CG 3.25Å; T261-L265 WeakPolarHBondContact O-CG 3.26Å; T261-L265 PolarHBondContact O-N 2.91Å; T261-L265 VanDerWaalsContact O-N 3.08Å |
| 262 | G | 91.8 | Very high | 89.3 | Confident | 40 Ų | 40 | 88.4 Ų | 88.4 | 41% | 0.412 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.9 | -45.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | G258 Y259 L265 G266 | G258-G262 PolarHBondContact O-N 3.47Å; Y259-G262 PolarHBondContact O-N 2.98Å; Y259-G262 VanDerWaalsContact O-N 3.12Å; G262-L265 PolarHBondContact O-N 3.33Å; G262-G266 PolarHBondContact O-N 3.12Å |
| 263 | Y | 88.5 | Confident | 88.7 | Confident | 113 Ų | 113 | 87 Ų | 87 | 44% | 0.443 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.1 | -49.6 | 177.7 | -178.8 | -102.9 | 0 | 0 | 0 | 112 | Y259 H260 L265 G266 L267 | Y259-Y263 WeakPolarHBondContact O-CB 3.11Å; Y259-Y263 PolarHBondContact O-N 3.45Å; H260-Y263 PolarHBondContact O-N 3.29Å; Y263-L265 VanDerWaalsContact C-N 3.34Å; Y263-L265 PolarHBondContact O-N 3.38Å; Y263-G266 PolarHBondContact O-N 3.47Å; Y263-G266 VanDerWaalsContact O-N 3.13Å; Y263-L267 HydrophobicContact CD1-CD1 4.04Å; Y263-L267 HydrophobicContact CD1-CG 4.48Å; Y263-L267 HydrophobicContact CE1-CD1 3.41Å; Y263-L267 VanDerWaalsContact CE1-CD1 3.41Å; Y263-L267 HydrophobicContact CE1-CG 4.09Å; Y263-L267 PolarHBondContact O-N 2.87Å |
| 264 | Y | 89.8 | Confident | 87.9 | Confident | 134 Ų | 134 | 86 Ų | 86 | 53% | 0.525 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.2 | -42.9 | 175.8 | 176.3 | -98.1 | 0 | 0 | 0 | 112.4 | H260 G266 K268 | H260-Y264 WeakPolarHBondContact O-CB 3.24Å; H260-Y264 PolarHBondContact O-N 2.95Å; Y264-G266 VanDerWaalsContact C-N 3.35Å; Y264-K268 HydrophobicContact CD1-CD 4.45Å; Y264-K268 HydrophobicContact CE1-CD 3.61Å; Y264-K268 WeakPolarHBondContact O-CB 3.28Å; Y264-K268 PolarHBondContact O-N 2.9Å; Y264-K268 PolarHBondContact OH-NZ 3.23Å |
| 265 | L | 89.9 | Confident | 87 | Confident | 73 Ų | 73 | 86.7 Ų | 86.7 | 38% | 0.382 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 175.1 | -76.1 | 167.7 | 0 | 0 | 0 | 111.6 | P229 T261 G262 Y263 K268 Q269 | P229-L265 HydrophobicContact CG-CD1 4.38Å; T261-L265 HydrophobicContact CG2-CD1 4.05Å; T261-L265 WeakPolarHBondContact O-CB 3.23Å; T261-L265 WeakPolarHBondContact O-CD1 3.47Å; T261-L265 VanDerWaalsContact O-CG 3.25Å; T261-L265 WeakPolarHBondContact O-CG 3.26Å; T261-L265 PolarHBondContact O-N 2.91Å; T261-L265 VanDerWaalsContact O-N 3.08Å; G262-L265 PolarHBondContact O-N 3.33Å; Y263-L265 VanDerWaalsContact C-N 3.34Å; Y263-L265 PolarHBondContact O-N 3.38Å; L265-K268 PolarHBondContact O-N 3.18Å; L265-Q269 WeakPolarHBondContact O-CB 3.32Å; L265-Q269 PolarHBondContact O-N 2.86Å |
| 266 | G | 91.9 | Very high | 86.2 | Confident | 45 Ų | 45 | 84.9 Ų | 84.9 | 46% | 0.464 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59 | -55.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G262 Y263 Y264 K268 Q269 G270 | G262-G266 PolarHBondContact O-N 3.12Å; Y263-G266 PolarHBondContact O-N 3.47Å; Y263-G266 VanDerWaalsContact O-N 3.13Å; Y264-G266 VanDerWaalsContact C-N 3.35Å; G266-K268 VanDerWaalsContact C-N 3.32Å; G266-K268 PolarHBondContact O-N 3.02Å; G266-Q269 PolarHBondContact O-N 3.47Å; G266-Q269 VanDerWaalsContact O-N 3.13Å; G266-G270 PolarHBondContact O-N 3.36Å |
| 267 | L | 88.3 | Confident | 84.7 | Confident | 67 Ų | 67 | 89.1 Ų | 89.1 | 35% | 0.351 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -56.2 | -45.4 | 176.2 | -71.5 | -176.1 | 0 | 0 | 0 | 111.9 | Y263 Q269 G270 R271 | Y263-L267 HydrophobicContact CD1-CD1 4.04Å; Y263-L267 HydrophobicContact CD1-CG 4.48Å; Y263-L267 HydrophobicContact CE1-CD1 3.41Å; Y263-L267 VanDerWaalsContact CE1-CD1 3.41Å; Y263-L267 HydrophobicContact CE1-CG 4.09Å; Y263-L267 PolarHBondContact O-N 2.87Å; L267-Q269 VanDerWaalsContact C-N 3.26Å; L267-Q269 PolarHBondContact O-N 3.06Å; L267-G270 PolarHBondContact O-N 3.24Å; L267-R271 WeakPolarHBondContact O-CG 3.4Å; L267-R271 PolarHBondContact O-N 2.95Å |
| 268 | K | 85.5 | Confident | 83.4 | Confident | 97 Ų | 97 | 89.6 Ų | 89.6 | 42% | 0.422 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -68 | -25.4 | -179.2 | -167.6 | 170.4 | -166.8 | 167.9 | 0 | 112.8 | Y264 L265 G266 K272 | Y264-K268 HydrophobicContact CD1-CD 4.45Å; Y264-K268 HydrophobicContact CE1-CD 3.61Å; Y264-K268 WeakPolarHBondContact O-CB 3.28Å; Y264-K268 PolarHBondContact O-N 2.9Å; Y264-K268 PolarHBondContact OH-NZ 3.23Å; L265-K268 PolarHBondContact O-N 3.18Å; G266-K268 VanDerWaalsContact C-N 3.32Å; G266-K268 PolarHBondContact O-N 3.02Å; K268-K272 WeakPolarHBondContact O-CD 3.38Å; K268-K272 WeakPolarHBondContact O-CG 3.45Å |
| 269 | Q | 86.9 | Confident | 81.9 | Confident | 87 Ų | 87 | 97 Ų | 97 | 41% | 0.407 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -81 | -44.3 | 172.9 | -175.2 | 54 | 21.9 | 0 | 0 | 111.3 | L265 G266 L267 R271 K272 E273 | L265-Q269 WeakPolarHBondContact O-CB 3.32Å; L265-Q269 PolarHBondContact O-N 2.86Å; G266-Q269 PolarHBondContact O-N 3.47Å; G266-Q269 VanDerWaalsContact O-N 3.13Å; L267-Q269 VanDerWaalsContact C-N 3.26Å; L267-Q269 PolarHBondContact O-N 3.06Å; Q269-R271 PolarHBondContact O-N 3.14Å; Q269-K272 WeakPolarHBondContact O-CB 3.33Å; Q269-K272 PolarHBondContact O-N 2.89Å; Q269-E273 PolarHBondContact NE2-OE1 3.14Å; Q269-E273 PolarHBondContact O-N 2.84Å; Q269-E273 VanDerWaalsContact O-N 3.12Å |
| 270 | G | 83 | Confident | 80.5 | Confident | 43 Ų | 43 | 97.3 Ų | 97.3 | 44% | 0.443 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -55.3 | -47 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | G266 L267 K272 E273 A274 | G266-G270 PolarHBondContact O-N 3.36Å; L267-G270 PolarHBondContact O-N 3.24Å; G270-K272 VanDerWaalsContact C-N 3.27Å; G270-K272 PolarHBondContact O-N 3.1Å; G270-E273 PolarHBondContact O-N 2.85Å; G270-A274 WeakPolarHBondContact O-CB 3.48Å; G270-A274 PolarHBondContact O-N 2.88Å |
| 271 | R | 82.4 | Confident | 79 | Confident | 171 Ų | 171 | 98.7 Ų | 98.7 | 65% | 0.645 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58 | -33.9 | 175.4 | -67.6 | 177.3 | -158.2 | -167.4 | 7.7 | 112.9 | L267 Q269 N275 | L267-R271 WeakPolarHBondContact O-CG 3.4Å; L267-R271 PolarHBondContact O-N 2.95Å; Q269-R271 PolarHBondContact O-N 3.14Å; R271-N275 VanDerWaalsContact O-CB 3.32Å; R271-N275 WeakPolarHBondContact O-CB 3.23Å; R271-N275 PolarHBondContact O-N 3.18Å; R271-N275 PolarHBondContact O-ND2 2.97Å |
| 272 | K | 79.8 | Confident | 77.3 | Confident | 110 Ų | 110 | 103.6 Ų | 103.6 | 48% | 0.478 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -73.7 | -43 | 177.8 | -69.5 | 167.3 | -168.4 | 167.4 | 0 | 112.6 | K268 Q269 G270 N275 K276 | K268-K272 WeakPolarHBondContact O-CD 3.38Å; K268-K272 WeakPolarHBondContact O-CG 3.45Å; Q269-K272 WeakPolarHBondContact O-CB 3.33Å; Q269-K272 PolarHBondContact O-N 2.89Å; G270-K272 VanDerWaalsContact C-N 3.27Å; G270-K272 PolarHBondContact O-N 3.1Å; K272-N275 CarbonylContact O-C 3.59Å; K272-N275 PolarHBondContact O-N 3.36Å; K272-K276 PolarHBondContact O-N 2.98Å |
| 273 | E | 75.9 | Confident | 75.1 | Confident | 76 Ų | 76 | 113.8 Ų | 113.8 | 36% | 0.355 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -72.1 | -37.2 | -178.3 | -56.6 | -49.4 | 125.9 | 0 | 0 | 111.2 | Q269 G270 N275 K276 W277 | Q269-E273 PolarHBondContact NE2-OE1 3.14Å; Q269-E273 PolarHBondContact O-N 2.84Å; Q269-E273 VanDerWaalsContact O-N 3.12Å; G270-E273 PolarHBondContact O-N 2.85Å; E273-N275 VanDerWaalsContact C-N 3.33Å; E273-N275 PolarHBondContact O-N 3.07Å; E273-K276 WeakPolarHBondContact O-CB 3.48Å; E273-K276 PolarHBondContact O-N 3.48Å; E273-K276 VanDerWaalsContact O-N 3.12Å; E273-K276 IonicContact OE1-NZ 2.69Å; E273-K276 PolarHBondContact OE1-NZ 3.2Å; E273-K276 WeakPolarHBondContact OE2-CD 3.28Å; E273-K276 IonicContact OE2-NZ 2.68Å; E273-K276 PolarHBondContact OE2-NZ 3.19Å; E273-W277 PolarHBondContact O-N 3.22Å |
| 274 | A | 72.3 | Confident | 74.4 | Confident | 52 Ų | 52 | 113.9 Ų | 113.9 | 43% | 0.43 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -56.8 | -45.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112 | G270 K276 W277 T278 | G270-A274 WeakPolarHBondContact O-CB 3.48Å; G270-A274 PolarHBondContact O-N 2.88Å; A274-K276 PolarHBondContact O-N 2.86Å; A274-W277 PolarHBondContact O-N 3.47Å; A274-T278 PolarHBondContact O-N 3.12Å; A274-T278 PolarHBondContact O-OG1 3.21Å |
| 275 | N | 70.6 | Confident | 73.6 | Confident | 105 Ų | 105 | 112.8 Ų | 112.8 | 56% | 0.561 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -71.3 | -10.8 | 177.5 | -73.9 | -16 | 0 | 0 | 0 | 114.9 | R271 K272 E273 K279 | R271-N275 VanDerWaalsContact O-CB 3.32Å; R271-N275 WeakPolarHBondContact O-CB 3.23Å; R271-N275 PolarHBondContact O-N 3.18Å; R271-N275 PolarHBondContact O-ND2 2.97Å; K272-N275 CarbonylContact O-C 3.59Å; K272-N275 PolarHBondContact O-N 3.36Å; E273-N275 VanDerWaalsContact C-N 3.33Å; E273-N275 PolarHBondContact O-N 3.07Å; N275-K279 WeakPolarHBondContact O-CG 3.29Å |
| 276 | K | 75.1 | Confident | 72.7 | Confident | 108 Ų | 108 | 115 Ų | 115 | 47% | 0.47 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -85.8 | -45.7 | 165 | -75.4 | 160.7 | 164.8 | 173.9 | 0 | 110.6 | K272 E273 A274 T278 K279 L280 | K272-K276 PolarHBondContact O-N 2.98Å; E273-K276 WeakPolarHBondContact O-CB 3.48Å; E273-K276 PolarHBondContact O-N 3.48Å; E273-K276 VanDerWaalsContact O-N 3.12Å; E273-K276 IonicContact OE1-NZ 2.69Å; E273-K276 PolarHBondContact OE1-NZ 3.2Å; E273-K276 WeakPolarHBondContact OE2-CD 3.28Å; E273-K276 IonicContact OE2-NZ 2.68Å; E273-K276 PolarHBondContact OE2-NZ 3.19Å; A274-K276 PolarHBondContact O-N 2.86Å; K276-T278 PolarHBondContact O-N 2.94Å; K276-K279 PolarHBondContact O-N 3.21Å; K276-K279 VanDerWaalsContact O-N 3.08Å; K276-L280 WeakPolarHBondContact O-CG 3.45Å; K276-L280 PolarHBondContact O-N 2.74Å |
| 277 | W | 63.3 | Low | 71.6 | Confident | 170 Ų | 170 | 119.1 Ų | 119.1 | 64% | 0.644 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -57.6 | -47.1 | -178.7 | -171.1 | -94.3 | 0 | 0 | 0 | 112 | E273 A274 K279 L280 H281 | E273-W277 PolarHBondContact O-N 3.22Å; A274-W277 PolarHBondContact O-N 3.47Å; W277-K279 PolarHBondContact O-N 3.09Å; W277-L280 PolarHBondContact O-N 2.67Å; W277-L280 VanDerWaalsContact O-N 3.13Å; W277-H281 AromaticContact CD1-CD2 3.84Å; W277-H281 AromaticContact CD2-CD2 4Å; W277-H281 AromaticContact CE2-CD2 3.5Å; W277-H281 VanDerWaalsContact CE2-CD2 3.5Å; W277-H281 AromaticContact CE2-NE2 3.34Å; W277-H281 VanDerWaalsContact CE2-NE2 3.34Å; W277-H281 AromaticContact CH2-NE2 3.92Å; W277-H281 AromaticContact CZ2-CD2 3.9Å; W277-H281 AromaticContact CZ2-NE2 3.21Å; W277-H281 WeakPolarHBondContact CZ2-NE2 3.46Å; W277-H281 AromaticContact NE1-CD2 3.38Å; W277-H281 PolarHBondContact NE1-CD2 3.08Å; W277-H281 AromaticContact NE1-NE2 3.56Å; W277-H281 PolarHBondContact O-N 3.04Å; W277-H281 VanDerWaalsContact O-N 3.09Å |
| 278 | T | 65.1 | Low | 70.5 | Confident | 86 Ų | 86 | 122.4 Ų | 122.4 | 53% | 0.528 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.3 | -30.9 | 176.2 | 53.3 | 0 | 0 | 0 | 0 | 113.4 | A274 K276 | A274-T278 PolarHBondContact O-N 3.12Å; A274-T278 PolarHBondContact O-OG1 3.21Å; K276-T278 PolarHBondContact O-N 2.94Å |
| 279 | K | 64.6 | Low | 69.5 | Low | 167 Ų | 167 | 124.1 Ų | 124.1 | 73% | 0.726 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -80.1 | -25.8 | 176 | -71.9 | -175.2 | 175.8 | -174.6 | 0 | 113.9 | N275 K276 W277 | N275-K279 WeakPolarHBondContact O-CG 3.29Å; K276-K279 PolarHBondContact O-N 3.21Å; K276-K279 VanDerWaalsContact O-N 3.08Å; W277-K279 PolarHBondContact O-N 3.09Å |
| 280 | L | 62.5 | Low | 68.3 | Low | 129 Ų | 129 | 126.7 Ų | 126.7 | 68% | 0.675 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -78 | -31.7 | 175.1 | -71.6 | 169 | 0 | 0 | 0 | 111.9 | K276 W277 H282 | K276-L280 WeakPolarHBondContact O-CG 3.45Å; K276-L280 PolarHBondContact O-N 2.74Å; W277-L280 PolarHBondContact O-N 2.67Å; W277-L280 VanDerWaalsContact O-N 3.13Å; L280-H282 VanDerWaalsContact C-N 3.28Å; L280-H282 PolarHBondContact O-N 2.96Å |
| 281 | H | 59.6 | Low | 67.2 | Low | 127 Ų | 127 | 133.2 Ų | 133.2 | 59% | 0.588 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | 10.5 | 177.6 | -86.2 | -85.3 | 0 | 0 | 0 | 115.1 | W277 | W277-H281 AromaticContact CD1-CD2 3.84Å; W277-H281 AromaticContact CD2-CD2 4Å; W277-H281 AromaticContact CE2-CD2 3.5Å; W277-H281 VanDerWaalsContact CE2-CD2 3.5Å; W277-H281 AromaticContact CE2-NE2 3.34Å; W277-H281 VanDerWaalsContact CE2-NE2 3.34Å; W277-H281 AromaticContact CH2-NE2 3.92Å; W277-H281 AromaticContact CZ2-CD2 3.9Å; W277-H281 AromaticContact CZ2-NE2 3.21Å; W277-H281 WeakPolarHBondContact CZ2-NE2 3.46Å; W277-H281 AromaticContact NE1-CD2 3.38Å; W277-H281 PolarHBondContact NE1-CD2 3.08Å; W277-H281 AromaticContact NE1-NE2 3.56Å; W277-H281 PolarHBondContact O-N 3.04Å; W277-H281 VanDerWaalsContact O-N 3.09Å |
| 282 | H | 56 | Low | 65.9 | Low | 175 Ų | 175 | 130 Ų | 130 | 81% | 0.81 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.6 | 36.1 | -177.8 | -148.5 | 61.6 | 0 | 0 | 0 | 112.6 | L280 | L280-H282 VanDerWaalsContact C-N 3.28Å; L280-H282 PolarHBondContact O-N 2.96Å |
| 283 | K | 46 | Very low | 64.6 | Low | 255 Ų | 255 | 131.8 Ų | 131.8 | 100% | 1.109 | 63% | 0.627 | S | S | * | * | trans | -147.5 | 0 | 177.2 | -170.1 | -164.5 | 171 | -164.3 | 0 | 109.9 |
Retrieved 283 of 283 residues in 238.8 ms
(Link to these results)