| 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 | 31.5 | Very low | 40.1 | Very low | 252 Ų | 252 | 161.2 Ų | 161.2 | 100% | 1.241 | 79% | 0.791 | S | S | * | * | 0 | 92.8 | 0 | -75.5 | 179.6 | -176.1 | 0 | 0 | 108.6 | |||||
| 2 | S | 30 | Very low | 42.9 | Very low | 105 Ų | 105 | 157.2 Ų | 157.2 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | -110.1 | 91.9 | 177.7 | 68.6 | 0 | 0 | 0 | 0 | 110.1 | R4 | S2-R4 PolarHBondContact O-N 2.82Š| ||
| 3 | R | 32.5 | Very low | 45.8 | Very low | 252 Ų | 252 | 152.5 Ų | 152.5 | 95% | 0.951 | 75% | 0.754 | S | S | * | * | trans | -79.4 | 82.6 | 147.2 | -81.3 | -172.9 | 178.1 | -177 | -0.5 | 105.7 | S5 | R3-S5 PolarHBondContact O-N 2.81Å; R3-S5 VanDerWaalsContact O-N 3.08Å | ||
| 4 | R | 33.9 | Very low | 48.6 | Very low | 219 Ų | 219 | 148.6 Ų | 148.6 | 83% | 0.826 | 73% | 0.731 | S | S | * | * | trans | -58 | 111.1 | 156.1 | -81 | -179.3 | 175.5 | 173.1 | -1.4 | 103.9 | S2 T6 | S2-R4 PolarHBondContact O-N 2.82Å; R4-T6 PolarHBondContact O-N 3.39Å | ||
| 5 | S | 40.7 | Very low | 51.2 | Low | 104 Ų | 104 | 150.1 Ų | 150.1 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | trans | -55.3 | 98.6 | 160.3 | 49.3 | 0 | 0 | 0 | 0 | 105.7 | R3 V7 | R3-S5 PolarHBondContact O-N 2.81Å; R3-S5 VanDerWaalsContact O-N 3.08Å; S5-V7 PolarHBondContact O-N 3.04Å | ||
| 6 | T | 38 | Very low | 53.7 | Low | 101 Ų | 101 | 144.2 Ų | 144.2 | 62% | 0.62 | 71% | 0.705 | S | S | * | * | trans | -56.1 | 109.3 | 163.9 | 31.2 | 0 | 0 | 0 | 0 | 104.9 | R4 E8 | R4-T6 PolarHBondContact O-N 3.39Å; T6-E8 PolarHBondContact O-N 3.11Å | ||
| 7 | V | 41.7 | Very low | 55.9 | Low | 103 Ų | 103 | 142.1 Ų | 142.1 | 62% | 0.624 | 70% | 0.702 | S | S | * | * | trans | -63.8 | 93.2 | 167.3 | 177.8 | 0 | 0 | 0 | 0 | 104.5 | S5 N9 | S5-V7 PolarHBondContact O-N 3.04Å; V7-N9 PolarHBondContact O-N 3.14Å | ||
| 8 | E | 45 | Very low | 57.9 | Low | 168 Ų | 168 | 137.1 Ų | 137.1 | 79% | 0.785 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -71.4 | 5.4 | -169.2 | -86.3 | 179.8 | 174.6 | 0 | 0 | 114 | T6 | T6-E8 PolarHBondContact O-N 3.11Š|
| 9 | N | 44.7 | Very low | 59.8 | Low | 99 Ų | 99 | 136.4 Ų | 136.4 | 53% | 0.529 | 68% | 0.675 | S | S | . | * | trans | -140.4 | 108.2 | 169.2 | -95.1 | -39.6 | 0 | 0 | 0 | 111.2 | V7 K11 D12 | V7-N9 PolarHBondContact O-N 3.14Å; N9-K11 PolarHBondContact O-N 3.42Å; N9-D12 PolarHBondContact O-N 3.25Å | ||
| 10 | Q | 51.1 | Low | 61.5 | Low | 176 Ų | 176 | 133.9 Ų | 133.9 | 82% | 0.822 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -56.3 | -19 | 167.9 | -87.8 | 179.8 | -19.1 | 0 | 0 | 112.9 | D12 I13 | Q10-D12 VanDerWaalsContact C-N 3.31Å; Q10-D12 PolarHBondContact O-N 3.03Å; Q10-I13 HydrophobicContact CG-CD1 4.28Å |
| 11 | K | 52.5 | Low | 63 | Low | 194 Ų | 194 | 132.1 Ų | 132.1 | 84% | 0.843 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -69.9 | -19.6 | -179.9 | -73.1 | -173.2 | 177.1 | -179.9 | 0 | 114.7 | N9 | N9-K11 PolarHBondContact O-N 3.42Š|
| 12 | D | 73.1 | Confident | 66.1 | Low | 113 Ų | 113 | 123.6 Ų | 123.6 | 60% | 0.604 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -98 | 2.5 | -178.8 | -69.1 | -35.8 | 0 | 0 | 0 | 113.9 | N9 Q10 K14 | N9-D12 PolarHBondContact O-N 3.25Å; Q10-D12 VanDerWaalsContact C-N 3.31Å; Q10-D12 PolarHBondContact O-N 3.03Å; D12-K14 PolarHBondContact O-N 3.35Å |
| 13 | I | 81.4 | Confident | 69.1 | Low | 97 Ų | 97 | 123.4 Ų | 123.4 | 50% | 0.497 | 60% | 0.6 | S | S | . | * | trans | -72.7 | 112.2 | 177.6 | -58.6 | 176.3 | 0 | 0 | 0 | 109 | Q10 Q15 | Q10-I13 HydrophobicContact CG-CD1 4.28Å; I13-Q15 HydrophobicContact CG2-CG 4.12Å | ||
| 14 | K | 84.5 | Confident | 71.9 | Confident | 97 Ų | 97 | 114.5 Ų | 114.5 | 42% | 0.422 | 58% | 0.576 | S | S | . | * | trans | -97.5 | 120.2 | 172.3 | -64.2 | 172.6 | -172.5 | 148.8 | 0 | 109 | D12 F16 Y303 L307 | D12-K14 PolarHBondContact O-N 3.35Å; K14-F16 HydrophobicContact CB-CE2 3.94Å; K14-Y303 PolarHBondContact NZ-OH 2.93Å; K14-L307 HydrophobicContact CD-CD1 3.58Å; K14-L307 HydrophobicContact CD-CD2 4.13Å | ||
| 15 | Q | 88.2 | Confident | 74.5 | Confident | 171 Ų | 171 | 109.6 Ų | 109.6 | 80% | 0.799 | 56% | 0.563 | S | S | * | * | trans | -102.1 | 137.9 | 178.8 | -65.6 | -176.5 | -15.7 | 0 | 0 | 110.3 | I13 | I13-Q15 HydrophobicContact CG2-CG 4.12Š| ||
| 16 | F | 90.8 | Very high | 76.8 | Confident | 56 Ų | 56 | 108.5 Ų | 108.5 | 25% | 0.246 | 55% | 0.549 | C | S | . | . | trans | -129.4 | 149.9 | 175.6 | -63.6 | -90.6 | 0 | 0 | 0 | 109.1 | K14 F18 L307 L310 R311 D314 | K14-F16 HydrophobicContact CB-CE2 3.94Å; F16-F18 HydrophobicContact CB-CD2 4.38Å; F16-F18 HydrophobicContact CB-CE2 3.44Å; F16-F18 VanDerWaalsContact CB-CE2 3.44Å; F16-F18 HydrophobicContact CB-CZ 3.54Å; F16-F18 HydrophobicContact CD1-CZ 4.26Å; F16-F18 HydrophobicContact CG-CE2 4.35Å; F16-F18 HydrophobicContact CG-CZ 4.14Å; F16-L307 HydrophobicContact CE2-CD1 4.01Å; F16-L307 HydrophobicContact CZ-CD1 3.76Å; F16-L310 HydrophobicContact CD1-CB 4.06Å; F16-L310 HydrophobicContact CD2-CB 4.01Å; F16-L310 HydrophobicContact CD2-CD1 3.91Å; F16-L310 HydrophobicContact CD2-CG 4.43Å; F16-L310 HydrophobicContact CE1-CB 3.92Å; F16-L310 HydrophobicContact CE2-CB 3.86Å; F16-L310 HydrophobicContact CE2-CD1 3.92Å; F16-L310 HydrophobicContact CG-CB 4.11Å; F16-L310 HydrophobicContact CZ-CB 3.82Å; F16-R311 HydrophobicContact CE1-CG 4Å; F16-R311 HydrophobicContact CZ-CG 4.01Å; F16-D314 HydrophobicContact CD1-CB 4.24Å | ||
| 17 | T | 90.4 | Very high | 79.2 | Confident | 108 Ų | 108 | 105.1 Ų | 105.1 | 66% | 0.663 | 53% | 0.533 | S | S | * | . | trans | -127.9 | 112.3 | -177.9 | -54.6 | 0 | 0 | 0 | 0 | 110.8 | K317 | T17-K317 PolarHBondContact O-NZ 2.96Š| ||
| 18 | F | 92.5 | Very high | 81.7 | Confident | 52 Ų | 52 | 103.7 Ų | 103.7 | 23% | 0.228 | 52% | 0.519 | C | S | . | . | trans | -113.9 | 164.8 | 178.5 | -53.1 | -68.4 | 0 | 0 | 0 | 110.4 | F16 H20 L310 A313 | F16-F18 HydrophobicContact CB-CD2 4.38Å; F16-F18 HydrophobicContact CB-CE2 3.44Å; F16-F18 VanDerWaalsContact CB-CE2 3.44Å; F16-F18 HydrophobicContact CB-CZ 3.54Å; F16-F18 HydrophobicContact CD1-CZ 4.26Å; F16-F18 HydrophobicContact CG-CE2 4.35Å; F16-F18 HydrophobicContact CG-CZ 4.14Å; F18-H20 VanDerWaalsContact C-N 3.3Å; F18-L310 HydrophobicContact CE2-CD2 3.53Å; F18-L310 HydrophobicContact CZ-CB 4.47Å; F18-L310 HydrophobicContact CZ-CD2 3.67Å; F18-A313 HydrophobicContact CD1-CB 4.42Å; F18-A313 HydrophobicContact CE1-CB 3.67Å; F18-A313 HydrophobicContact CZ-CB 4.25Å | ||
| 19 | D | 93.3 | Very high | 83.9 | Confident | 124 Ų | 124 | 100 Ų | 100 | 66% | 0.663 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -68.2 | -36.7 | -179.7 | -52.4 | -49.8 | 0 | 0 | 0 | 110.7 | K317 | D19-K317 WeakPolarHBondContact OD1-CE 3.42Å; D19-K317 IonicContact OD1-NZ 3.78Å; D19-K317 PolarHBondContact OD1-NZ 3.46Å; D19-K317 IonicContact OD2-NZ 2.87Å |
| 20 | H | 94.3 | Very high | 86.1 | Confident | 86 Ų | 86 | 98.7 Ų | 98.7 | 40% | 0.398 | 50% | 0.496 | S | S | . | . | trans | -139.5 | 149.6 | 171.5 | -57.4 | -99.4 | 0 | 0 | 0 | 110.4 | F18 Y22 D54 | F18-H20 VanDerWaalsContact C-N 3.3Å; H20-Y22 HydrophobicContact CB-CE1 3.88Å; H20-Y22 HydrophobicContact CB-CE2 3.77Å; H20-Y22 WeakPolarHBondContact CB-OH 3.46Å; H20-Y22 AromaticContact CG-CZ 3.92Å; H20-Y22 PolarHBondContact ND1-OH 2.86Å; H20-D54 IonicContact CE1-OD2 2.7Å; H20-D54 PolarHBondContact CE1-OD2 3.45Å; H20-D54 IonicContact CG-OD2 2.67Å; H20-D54 IonicContact ND1-OD2 2.76Å; H20-D54 PolarHBondContact ND1-OD2 2.8Å | ||
| 21 | S | 93.9 | Very high | 87.9 | Confident | 98 Ų | 98 | 93.4 Ų | 93.4 | 69% | 0.685 | 47% | 0.472 | S | S | * | . | trans | -134.1 | 119.9 | 175 | -65.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 22 | Y | 94.9 | Very high | 89.4 | Confident | 72 Ų | 72 | 91.5 Ų | 91.5 | 28% | 0.282 | 48% | 0.476 | S | S | . | . | trans | -113.6 | 137.8 | -174.4 | -52.3 | -61.2 | 0 | 0 | 0 | 111.2 | H20 V46 V51 D54 L55 | H20-Y22 HydrophobicContact CB-CE1 3.88Å; H20-Y22 HydrophobicContact CB-CE2 3.77Å; H20-Y22 WeakPolarHBondContact CB-OH 3.46Å; H20-Y22 AromaticContact CG-CZ 3.92Å; H20-Y22 PolarHBondContact ND1-OH 2.86Å; Y22-V46 HydrophobicContact CD1-CB 4.25Å; Y22-V46 HydrophobicContact CD1-CG1 3.72Å; Y22-V46 HydrophobicContact CD1-CG2 4.22Å; Y22-V46 HydrophobicContact CE1-CG1 4.37Å; Y22-V46 HydrophobicContact CG-CG1 4.41Å; Y22-V51 HydrophobicContact CD1-CG2 4.14Å; Y22-V51 HydrophobicContact CD2-CG1 4.27Å; Y22-V51 HydrophobicContact CD2-CG2 4.16Å; Y22-V51 HydrophobicContact CE1-CG2 4.39Å; Y22-V51 HydrophobicContact CE2-CG1 4.01Å; Y22-V51 HydrophobicContact CE2-CG2 4.44Å; Y22-V51 HydrophobicContact CG-CG2 3.98Å; Y22-D54 VanDerWaalsContact CE1-OD2 3.27Å; Y22-D54 WeakPolarHBondContact CE1-OD2 3.06Å; Y22-D54 WeakPolarHBondContact OH-CB 3.37Å; Y22-D54 PolarHBondContact OH-OD2 3.48Å; Y22-L55 HydrophobicContact CE2-CD1 3.99Å; Y22-L55 HydrophobicContact CE2-CG 4.33Å | ||
| 23 | W | 94 | Very high | 89.8 | Confident | 101 Ų | 101 | 91 Ų | 91 | 38% | 0.383 | 47% | 0.474 | S | S | . | . | B | Isolated β-bridge | trans | -107.6 | 125.3 | 173.9 | -175.2 | -94.4 | 0 | 0 | 0 | 110.1 | H25 D26 I44 Y45 V46 P298 | W23-H25 HydrophobicContact CZ2-CB 4.02Å; W23-D26 PolarHBondContact NE1-OD1 3Å; W23-I44 WeakPolarHBondContact CB-O 3.3Å; W23-I44 HydrophobicContact CD2-CD1 4.11Å; W23-I44 HydrophobicContact CG-CD1 3.96Å; W23-I44 HydrophobicContact CG-CG1 4.17Å; W23-I44 HydrophobicContact CZ2-CD1 4.46Å; W23-Y45 CarbonylContact O-C 3.58Å; W23-Y45 WeakPolarHBondContact O-CA 3.45Å; W23-V46 PolarHBondContact O-N 3.46Å; W23-P298 HydrophobicContact CH2-CB 3.92Å; W23-P298 HydrophobicContact CZ3-CB 4.37Å |
| 24 | S | 91.4 | Very high | 89.9 | Confident | 65 Ų | 65 | 87.4 Ų | 87.4 | 46% | 0.455 | 46% | 0.46 | S | S | . | . | trans | -130.2 | 6.8 | -173.4 | 65.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 25 | H | 88.4 | Confident | 90.1 | Very high | 117 Ų | 117 | 84.8 Ų | 84.8 | 54% | 0.542 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -86.7 | -45.1 | -170.7 | -175.8 | 59.1 | 0 | 0 | 0 | 113.7 | W23 F28 P298 | W23-H25 HydrophobicContact CZ2-CB 4.02Å; H25-F28 WeakPolarHBondContact O-CE1 3.32Å; H25-P298 HydrophobicContact CB-CG 4.06Å |
| 26 | D | 88.1 | Confident | 90.2 | Very high | 81 Ų | 81 | 78 Ų | 78 | 43% | 0.433 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -148 | 179 | -178.9 | 68.1 | -8.5 | 0 | 0 | 0 | 111.2 | W23 Y45 | W23-D26 PolarHBondContact NE1-OD1 3Å; D26-Y45 WeakPolarHBondContact O-CB 3.04Å |
| 27 | G | 89.8 | Confident | 90.3 | Very high | 29 Ų | 29 | 77 Ų | 77 | 30% | 0.299 | 42% | 0.42 | S | S | . | . | S | Bend | trans | 83.4 | 16.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | D39 S43 Y45 | G27-D39 VanDerWaalsContact O-CB 3.27Å; G27-D39 WeakPolarHBondContact O-CB 3.13Å; G27-D39 PolarHBondContact O-N 3.34Å; G27-S43 WeakPolarHBondContact O-CB 3.47Å; G27-S43 PolarHBondContact O-OG 2.82Å; G27-Y45 WeakPolarHBondContact O-CB 3.48Å |
| 28 | F | 93 | Very high | 90.5 | Very high | 74 Ų | 74 | 74.3 Ų | 74.3 | 33% | 0.325 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 159.9 | 174 | 60.3 | -97.9 | 0 | 0 | 0 | 111.7 | H25 L36 V37 Y45 | H25-F28 WeakPolarHBondContact O-CE1 3.32Å; F28-L36 HydrophobicContact CB-CB 4.38Å; F28-L36 HydrophobicContact CD2-CB 4.29Å; F28-L36 HydrophobicContact CD2-CD1 4.07Å; F28-L36 HydrophobicContact CD2-CD2 3.64Å; F28-L36 HydrophobicContact CD2-CG 4.2Å; F28-L36 HydrophobicContact CE1-CD1 4.48Å; F28-L36 HydrophobicContact CE2-CD1 4Å; F28-L36 HydrophobicContact CE2-CD2 3.75Å; F28-L36 HydrophobicContact CE2-CG 4.42Å; F28-L36 HydrophobicContact CG-CB 4.39Å; F28-L36 HydrophobicContact CG-CD1 4.34Å; F28-L36 HydrophobicContact CZ-CD1 4.21Å; F28-V37 CarbonylContact C-O 3.57Å; F28-V37 WeakPolarHBondContact CA-O 3.17Å; F28-V37 WeakPolarHBondContact CB-O 3.18Å; F28-Y45 HydrophobicContact CB-CD1 3.69Å; F28-Y45 HydrophobicContact CB-CD2 3.85Å; F28-Y45 HydrophobicContact CB-CE1 3.84Å; F28-Y45 HydrophobicContact CB-CE2 4.01Å; F28-Y45 HydrophobicContact CB-CG 3.7Å; F28-Y45 AromaticContact CD1-CD2 3.7Å; F28-Y45 HydrophobicContact CD1-CD2 3.7Å; F28-Y45 AromaticContact CD1-CE2 3.68Å; F28-Y45 HydrophobicContact CD1-CE2 3.68Å; F28-Y45 HydrophobicContact CD1-CG 4.39Å; F28-Y45 HydrophobicContact CG-CD2 4.23Å; F28-Y45 HydrophobicContact CG-CE2 4.16Å |
| 29 | K | 91.7 | Very high | 90.5 | Very high | 90 Ų | 90 | 76.8 Ų | 76.8 | 39% | 0.391 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 151.4 | 163.3 | 61.6 | 174.6 | 177.8 | 134.7 | 0 | 109.4 | E31 V37 | K29-E31 VanDerWaalsContact CE-OE1 3.25Å; K29-E31 WeakPolarHBondContact CE-OE1 3.47Å; K29-E31 IonicContact NZ-OE1 3.8Å; K29-E31 PolarHBondContact NZ-OE1 2.9Å; K29-V37 HydrophobicContact CD-CG2 4.2Å; K29-V37 HydrophobicContact CG-CG2 3.57Å; K29-V37 PolarHBondContact N-O 2.83Å; K29-V37 PolarHBondContact O-N 3.19Å |
| 30 | T | 90 | Very high | 90.3 | Very high | 71 Ų | 71 | 73 Ų | 73 | 44% | 0.436 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 122.3 | 175.4 | -50.2 | 0 | 0 | 0 | 0 | 108.8 | L36 | T30-L36 HydrophobicContact CG2-CD2 4.22Å; T30-L36 WeakPolarHBondContact OG1-CD2 3.47Å |
| 31 | E | 89.5 | Confident | 90 | Very high | 66 Ų | 66 | 79.2 Ų | 79.2 | 31% | 0.308 | 44% | 0.436 | S | S | . | . | trans | -75.8 | 169.2 | 171.7 | -67.5 | -64.9 | 156.4 | 0 | 0 | 111 | K29 D33 G34 V35 V37 | K29-E31 VanDerWaalsContact CE-OE1 3.25Å; K29-E31 WeakPolarHBondContact CE-OE1 3.47Å; K29-E31 IonicContact NZ-OE1 3.8Å; K29-E31 PolarHBondContact NZ-OE1 2.9Å; E31-D33 WeakPolarHBondContact CB-OD1 3.27Å; E31-D33 PolarHBondContact O-N 2.98Å; E31-D33 VanDerWaalsContact O-N 3.11Å; E31-G34 PolarHBondContact O-N 3.47Å; E31-V35 PolarHBondContact N-O 2.81Å; E31-V37 HydrophobicContact CG-CG1 3.95Å; E31-V37 HydrophobicContact CG-CG2 3.72Å; E31-V37 VanDerWaalsContact OE1-CG2 3.31Å; E31-V37 WeakPolarHBondContact OE1-CG2 3.26Å | ||
| 32 | T | 83.3 | Confident | 89.7 | Confident | 153 Ų | 153 | 82.2 Ų | 82.2 | 94% | 0.939 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -18.8 | -175.3 | 52.4 | 0 | 0 | 0 | 0 | 114.7 | ||
| 33 | D | 83.4 | Confident | 89.6 | Confident | 104 Ų | 104 | 80.2 Ų | 80.2 | 56% | 0.556 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | 1.5 | 174.5 | 62.3 | -1.1 | 0 | 0 | 0 | 113.2 | E31 V35 P90 | E31-D33 WeakPolarHBondContact CB-OD1 3.27Å; E31-D33 PolarHBondContact O-N 2.98Å; E31-D33 VanDerWaalsContact O-N 3.11Å; D33-V35 VanDerWaalsContact OD1-CB 3.31Å; D33-V35 WeakPolarHBondContact OD1-CB 3.45Å; D33-V35 WeakPolarHBondContact OD1-CG2 3.42Å; D33-V35 PolarHBondContact OD1-N 3.19Å; D33-V35 WeakPolarHBondContact OD2-CG2 3.2Å; D33-P90 WeakPolarHBondContact O-CB 3.33Å; D33-P90 WeakPolarHBondContact O-CG 3.38Å |
| 34 | G | 82.4 | Confident | 89.5 | Confident | 20 Ų | 20 | 80.5 Ų | 80.5 | 21% | 0.206 | 45% | 0.449 | C | S | . | . | S | Bend | trans | 83.7 | 3.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | E31 P90 N91 | E31-G34 PolarHBondContact O-N 3.47Å; G34-P90 VanDerWaalsContact O-CG 3.28Å; G34-P90 WeakPolarHBondContact O-CG 3.5Å; G34-N91 PolarHBondContact O-ND2 3.19Å |
| 35 | V | 89.2 | Confident | 89.7 | Confident | 43 Ų | 43 | 77.8 Ų | 77.8 | 26% | 0.261 | 43% | 0.429 | S | S | . | . | trans | -73.4 | 133.3 | 176.8 | 178.6 | 0 | 0 | 0 | 0 | 110.2 | E31 D33 V37 P90 | E31-V35 PolarHBondContact N-O 2.81Å; D33-V35 VanDerWaalsContact OD1-CB 3.31Å; D33-V35 WeakPolarHBondContact OD1-CB 3.45Å; D33-V35 WeakPolarHBondContact OD1-CG2 3.42Å; D33-V35 PolarHBondContact OD1-N 3.19Å; D33-V35 WeakPolarHBondContact OD2-CG2 3.2Å; V35-V37 HydrophobicContact CG1-CG1 4.1Å; V35-P90 HydrophobicContact CG2-CB 3.86Å | ||
| 36 | L | 91.1 | Very high | 90 | Very high | 29 Ų | 29 | 73.2 Ų | 73.2 | 15% | 0.152 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 124.1 | 175.6 | -56.2 | -174 | 0 | 0 | 0 | 110 | F28 T30 Y45 N91 | F28-L36 HydrophobicContact CB-CB 4.38Å; F28-L36 HydrophobicContact CD2-CB 4.29Å; F28-L36 HydrophobicContact CD2-CD1 4.07Å; F28-L36 HydrophobicContact CD2-CD2 3.64Å; F28-L36 HydrophobicContact CD2-CG 4.2Å; F28-L36 HydrophobicContact CE1-CD1 4.48Å; F28-L36 HydrophobicContact CE2-CD1 4Å; F28-L36 HydrophobicContact CE2-CD2 3.75Å; F28-L36 HydrophobicContact CE2-CG 4.42Å; F28-L36 HydrophobicContact CG-CB 4.39Å; F28-L36 HydrophobicContact CG-CD1 4.34Å; F28-L36 HydrophobicContact CZ-CD1 4.21Å; T30-L36 HydrophobicContact CG2-CD2 4.22Å; T30-L36 WeakPolarHBondContact OG1-CD2 3.47Å; L36-Y45 HydrophobicContact CB-CE1 4.25Å; L36-Y45 WeakPolarHBondContact CB-OH 3.46Å; L36-N91 PolarHBondContact N-OD1 2.88Å |
| 37 | V | 92.9 | Very high | 90.2 | Very high | 35 Ų | 35 | 70.6 Ų | 70.6 | 21% | 0.212 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 157.1 | 178.5 | -57 | 0 | 0 | 0 | 0 | 110.7 | F28 K29 E31 V35 D39 | F28-V37 CarbonylContact C-O 3.57Å; F28-V37 WeakPolarHBondContact CA-O 3.17Å; F28-V37 WeakPolarHBondContact CB-O 3.18Å; K29-V37 HydrophobicContact CD-CG2 4.2Å; K29-V37 HydrophobicContact CG-CG2 3.57Å; K29-V37 PolarHBondContact N-O 2.83Å; K29-V37 PolarHBondContact O-N 3.19Å; E31-V37 HydrophobicContact CG-CG1 3.95Å; E31-V37 HydrophobicContact CG-CG2 3.72Å; E31-V37 VanDerWaalsContact OE1-CG2 3.31Å; E31-V37 WeakPolarHBondContact OE1-CG2 3.26Å; V35-V37 HydrophobicContact CG1-CG1 4.1Å; V37-D39 PolarHBondContact O-N 2.82Å |
| 38 | P | 94.2 | Very high | 90.4 | Very high | 50 Ų | 50 | 70 Ų | 70 | 33% | 0.325 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 133.3 | 178.2 | -22 | 32.2 | 0 | 0 | 0 | 112.2 | G40 Y45 | P38-G40 VanDerWaalsContact C-N 3.26Å; P38-G40 PolarHBondContact O-N 3.44Å; P38-Y45 HydrophobicContact CG-CD1 4.16Å |
| 39 | D | 91.8 | Very high | 90.4 | Very high | 105 Ų | 105 | 71.4 Ų | 71.4 | 56% | 0.561 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -76 | 76.4 | 176.5 | -172 | 22.8 | 0 | 0 | 0 | 111 | G27 V37 | G27-D39 VanDerWaalsContact O-CB 3.27Å; G27-D39 WeakPolarHBondContact O-CB 3.13Å; G27-D39 PolarHBondContact O-N 3.34Å; V37-D39 PolarHBondContact O-N 2.82Å |
| 40 | G | 89.4 | Confident | 90.5 | Very high | 45 Ų | 45 | 71.5 Ų | 71.5 | 46% | 0.464 | 39% | 0.391 | S | S | . | . | S | Bend | trans | 83.2 | 177 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | P38 N42 S43 | P38-G40 VanDerWaalsContact C-N 3.26Å; P38-G40 PolarHBondContact O-N 3.44Å; G40-N42 VanDerWaalsContact C-N 3.3Å; G40-N42 PolarHBondContact O-N 3.45Å; G40-S43 WeakPolarHBondContact O-CB 3.47Å; G40-S43 PolarHBondContact O-N 3.18Å |
| 41 | K | 87.4 | Confident | 90.7 | Very high | 216 Ų | 216 | 68.6 Ų | 68.6 | 94% | 0.939 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -23.4 | -169.7 | -67.6 | -175.3 | 178.8 | -178.3 | 0 | 115.1 | ||
| 42 | N | 88.9 | Confident | 90.9 | Very high | 161 Ų | 161 | 65.6 Ų | 65.6 | 86% | 0.861 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | 8.7 | -177.8 | -66.1 | -14.1 | 0 | 0 | 0 | 112.5 | G40 | G40-N42 VanDerWaalsContact C-N 3.3Å; G40-N42 PolarHBondContact O-N 3.45Å |
| 43 | S | 92.4 | Very high | 91.4 | Very high | 30 Ų | 30 | 60.7 Ų | 60.7 | 21% | 0.21 | 33% | 0.327 | C | S | . | . | trans | -65.2 | 138.4 | 176.9 | 170.7 | 0 | 0 | 0 | 0 | 110.6 | G27 G40 Y45 | G27-S43 WeakPolarHBondContact O-CB 3.47Å; G27-S43 PolarHBondContact O-OG 2.82Å; G40-S43 WeakPolarHBondContact O-CB 3.47Å; G40-S43 PolarHBondContact O-N 3.18Å; S43-Y45 VanDerWaalsContact C-N 3.29Å; S43-Y45 WeakPolarHBondContact OG-CB 3.5Å; S43-Y45 PolarHBondContact OG-N 3.48Å | ||
| 44 | I | 91.9 | Very high | 92 | Very high | 107 Ų | 107 | 58.5 Ų | 58.5 | 55% | 0.549 | 32% | 0.315 | S | S | . | . | trans | -80.5 | -13.4 | 172.9 | 56.4 | 171 | 0 | 0 | 0 | 112.3 | W23 | W23-I44 WeakPolarHBondContact CB-O 3.3Å; W23-I44 HydrophobicContact CD2-CD1 4.11Å; W23-I44 HydrophobicContact CG-CD1 3.96Å; W23-I44 HydrophobicContact CG-CG1 4.17Å; W23-I44 HydrophobicContact CZ2-CD1 4.46Å | ||
| 45 | Y | 94.8 | Very high | 92.4 | Very high | 8 Ų | 8 | 58.9 Ų | 58.9 | 3% | 0.031 | 31% | 0.312 | C | S | . | . | B | Isolated β-bridge | trans | -64.8 | 136.4 | -179 | 178.9 | -101.2 | 0 | 0 | 0 | 111.8 | W23 D26 G27 F28 L36 P38 S43 Y83 | W23-Y45 CarbonylContact O-C 3.58Å; W23-Y45 WeakPolarHBondContact O-CA 3.45Å; D26-Y45 WeakPolarHBondContact O-CB 3.04Å; G27-Y45 WeakPolarHBondContact O-CB 3.48Å; F28-Y45 HydrophobicContact CB-CD1 3.69Å; F28-Y45 HydrophobicContact CB-CD2 3.85Å; F28-Y45 HydrophobicContact CB-CE1 3.84Å; F28-Y45 HydrophobicContact CB-CE2 4.01Å; F28-Y45 HydrophobicContact CB-CG 3.7Å; F28-Y45 AromaticContact CD1-CD2 3.7Å; F28-Y45 HydrophobicContact CD1-CD2 3.7Å; F28-Y45 AromaticContact CD1-CE2 3.68Å; F28-Y45 HydrophobicContact CD1-CE2 3.68Å; F28-Y45 HydrophobicContact CD1-CG 4.39Å; F28-Y45 HydrophobicContact CG-CD2 4.23Å; F28-Y45 HydrophobicContact CG-CE2 4.16Å; L36-Y45 HydrophobicContact CB-CE1 4.25Å; L36-Y45 WeakPolarHBondContact CB-OH 3.46Å; P38-Y45 HydrophobicContact CG-CD1 4.16Å; S43-Y45 VanDerWaalsContact C-N 3.29Å; S43-Y45 WeakPolarHBondContact OG-CB 3.5Å; S43-Y45 PolarHBondContact OG-N 3.48Å; Y45-Y83 PolarHBondContact OH-OH 3.02Å |
| 46 | V | 94.3 | Very high | 92.4 | Very high | 21 Ų | 21 | 56.8 Ų | 56.8 | 13% | 0.127 | 30% | 0.3 | C | S | . | . | trans | -112 | 122.1 | 175.2 | -177.6 | 0 | 0 | 0 | 0 | 109.3 | Y22 W23 H50 V51 | Y22-V46 HydrophobicContact CD1-CB 4.25Å; Y22-V46 HydrophobicContact CD1-CG1 3.72Å; Y22-V46 HydrophobicContact CD1-CG2 4.22Å; Y22-V46 HydrophobicContact CE1-CG1 4.37Å; Y22-V46 HydrophobicContact CG-CG1 4.41Å; W23-V46 PolarHBondContact O-N 3.46Å; V46-H50 HydrophobicContact CG1-CB 3.78Å; V46-V51 HydrophobicContact CG1-CG2 3.84Å | ||
| 47 | S | 93.4 | Very high | 92.5 | Very high | 26 Ų | 26 | 61.1 Ų | 61.1 | 18% | 0.182 | 31% | 0.314 | C | S | . | . | trans | -74.7 | 156 | 178.5 | 68.2 | 0 | 0 | 0 | 0 | 112.3 | R49 H50 V51 | S47-R49 PolarHBondContact O-N 3.3Å; S47-H50 WeakPolarHBondContact O-CB 3.39Å; S47-H50 PolarHBondContact O-N 2.86Å; S47-H50 PolarHBondContact OG-N 3.44Å; S47-V51 PolarHBondContact O-N 3.33Å; S47-V51 VanDerWaalsContact O-N 3.1Å | ||
| 48 | Q | 93.1 | Very high | 92.4 | Very high | 15 Ų | 15 | 60.6 Ų | 60.6 | 7% | 0.07 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57.3 | -33.3 | 177.4 | -66 | -78.5 | 86.1 | 0 | 0 | 112.8 | V51 F52 Y83 R92 G93 | Q48-V51 PolarHBondContact O-N 3.01Å; Q48-F52 PolarHBondContact O-N 2.9Å; Q48-Y83 HydrophobicContact CG-CE1 3.99Å; Q48-Y83 PolarHBondContact NE2-O 2.82Å; Q48-R92 VanDerWaalsContact CB-O 3.24Å; Q48-R92 WeakPolarHBondContact CB-O 3.25Å; Q48-G93 VanDerWaalsContact NE2-CA 3.32Å |
| 49 | R | 92.6 | Very high | 92.3 | Very high | 105 Ų | 105 | 58.5 Ų | 58.5 | 40% | 0.396 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.4 | -41.7 | 175.6 | -177.6 | 61.3 | -169 | -163.2 | 0.2 | 111.9 | S47 F52 D53 | S47-R49 PolarHBondContact O-N 3.3Å; R49-F52 WeakPolarHBondContact O-CB 3.23Å; R49-F52 PolarHBondContact O-N 3.23Å; R49-D53 IonicContact CZ-OD1 3.82Å; R49-D53 IonicContact NE-OD1 2.78Å; R49-D53 PolarHBondContact NE-OD1 2.91Å; R49-D53 IonicContact NE-OD2 3.77Å; R49-D53 IonicContact NH2-OD1 3.36Å; R49-D53 PolarHBondContact O-N 3.02Å |
| 50 | H | 94 | Very high | 92.3 | Very high | 92 Ų | 92 | 54 Ų | 54 | 43% | 0.426 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.6 | -42.8 | 176.6 | -171.7 | 179.5 | 0 | 0 | 0 | 111 | V46 S47 F52 D53 D54 | V46-H50 HydrophobicContact CG1-CB 3.78Å; S47-H50 WeakPolarHBondContact O-CB 3.39Å; S47-H50 PolarHBondContact O-N 2.86Å; S47-H50 PolarHBondContact OG-N 3.44Å; H50-F52 VanDerWaalsContact C-N 3.29Å; H50-F52 PolarHBondContact O-N 3.5Å; H50-D53 PolarHBondContact O-N 2.94Å; H50-D53 VanDerWaalsContact O-N 3.12Å; H50-D54 IonicContact CD2-OD1 2.63Å; H50-D54 PolarHBondContact O-N 3.26Å; H50-D54 VanDerWaalsContact O-N 3.07Å |
| 51 | V | 94.5 | Very high | 92.5 | Very high | 9 Ų | 9 | 56.8 Ų | 56.8 | 6% | 0.055 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.2 | -40.7 | 174.1 | -178.2 | 0 | 0 | 0 | 0 | 111.6 | Y22 V46 S47 Q48 L55 I94 | Y22-V51 HydrophobicContact CD1-CG2 4.14Å; Y22-V51 HydrophobicContact CD2-CG1 4.27Å; Y22-V51 HydrophobicContact CD2-CG2 4.16Å; Y22-V51 HydrophobicContact CE1-CG2 4.39Å; Y22-V51 HydrophobicContact CE2-CG1 4.01Å; Y22-V51 HydrophobicContact CE2-CG2 4.44Å; Y22-V51 HydrophobicContact CG-CG2 3.98Å; V46-V51 HydrophobicContact CG1-CG2 3.84Å; S47-V51 PolarHBondContact O-N 3.33Å; S47-V51 VanDerWaalsContact O-N 3.1Å; Q48-V51 PolarHBondContact O-N 3.01Å; V51-L55 HydrophobicContact CG1-CD1 4.05Å; V51-L55 WeakPolarHBondContact O-CB 3.23Å; V51-L55 PolarHBondContact O-N 3.47Å; V51-I94 HydrophobicContact CG1-CD1 3.9Å; V51-I94 HydrophobicContact CG1-CG1 4.31Å |
| 52 | F | 94.3 | Very high | 92.8 | Very high | 3 Ų | 3 | 48.1 Ų | 48.1 | 1% | 0.013 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -64.1 | -42.8 | 173.8 | 167.4 | -93.3 | 0 | 0 | 0 | 112.6 | Q48 R49 H50 D54 L55 G56 R57 I97 I98 E101 | Q48-F52 PolarHBondContact O-N 2.9Å; R49-F52 WeakPolarHBondContact O-CB 3.23Å; R49-F52 PolarHBondContact O-N 3.23Å; H50-F52 VanDerWaalsContact C-N 3.29Å; H50-F52 PolarHBondContact O-N 3.5Å; F52-D54 VanDerWaalsContact C-N 3.26Å; F52-D54 PolarHBondContact O-N 2.89Å; F52-L55 PolarHBondContact O-N 2.84Å; F52-G56 CarbonylContact O-C 3.51Å; F52-G56 WeakPolarHBondContact O-CA 3.28Å; F52-G56 PolarHBondContact O-N 2.89Å; F52-R57 PolarHBondContact O-N 3.36Å; F52-I97 HydrophobicContact CB-CB 4.49Å; F52-I97 HydrophobicContact CB-CD1 3.94Å; F52-I97 HydrophobicContact CB-CG2 4.24Å; F52-I97 HydrophobicContact CD1-CG2 3.55Å; F52-I97 HydrophobicContact CD2-CB 3.69Å; F52-I97 HydrophobicContact CD2-CG2 3.44Å; F52-I97 VanDerWaalsContact CD2-CG2 3.44Å; F52-I97 HydrophobicContact CE1-CG2 3.65Å; F52-I97 HydrophobicContact CE2-CB 4.04Å; F52-I97 HydrophobicContact CE2-CG2 3.55Å; F52-I97 HydrophobicContact CG-CB 3.99Å; F52-I97 HydrophobicContact CG-CD1 4.31Å; F52-I97 HydrophobicContact CG-CG2 3.43Å; F52-I97 VanDerWaalsContact CG-CG2 3.43Å; F52-I97 HydrophobicContact CZ-CG2 3.65Å; F52-I98 HydrophobicContact CD2-CG1 4.09Å; F52-I98 HydrophobicContact CE2-CB 4.44Å; F52-I98 HydrophobicContact CE2-CG1 3.68Å; F52-E101 HydrophobicContact CZ-CB 4.24Å; F52-E101 HydrophobicContact CZ-CG 4.41Å |
| 53 | D | 94.5 | Very high | 93 | Very high | 51 Ų | 51 | 40.5 Ų | 40.5 | 27% | 0.273 | 20% | 0.202 | S | C | . | . | I | π-helix | trans | -63.1 | -35.3 | -179 | -74.1 | -37.9 | 0 | 0 | 0 | 111.7 | R49 H50 R57 | R49-D53 IonicContact CZ-OD1 3.82Å; R49-D53 IonicContact NE-OD1 2.78Å; R49-D53 PolarHBondContact NE-OD1 2.91Å; R49-D53 IonicContact NE-OD2 3.77Å; R49-D53 IonicContact NH2-OD1 3.36Å; R49-D53 PolarHBondContact O-N 3.02Å; H50-D53 PolarHBondContact O-N 2.94Å; H50-D53 VanDerWaalsContact O-N 3.12Å; D53-R57 WeakPolarHBondContact O-CB 3.42Å; D53-R57 IonicContact OD1-CZ 3.37Å; D53-R57 IonicContact OD1-NE 3.1Å; D53-R57 IonicContact OD1-NH2 3.64Å; D53-R57 PolarHBondContact OD1-NH2 3.02Å |
| 54 | D | 94.2 | Very high | 93 | Very high | 58 Ų | 58 | 40 Ų | 40 | 31% | 0.31 | 20% | 0.196 | S | C | . | . | I | π-helix | trans | -74.5 | -50.9 | 174.6 | -80.3 | -1.1 | 0 | 0 | 0 | 113.2 | H20 Y22 H50 F52 | H20-D54 IonicContact CE1-OD2 2.7Å; H20-D54 PolarHBondContact CE1-OD2 3.45Å; H20-D54 IonicContact CG-OD2 2.67Å; H20-D54 IonicContact ND1-OD2 2.76Å; H20-D54 PolarHBondContact ND1-OD2 2.8Å; Y22-D54 VanDerWaalsContact CE1-OD2 3.27Å; Y22-D54 WeakPolarHBondContact CE1-OD2 3.06Å; Y22-D54 WeakPolarHBondContact OH-CB 3.37Å; Y22-D54 PolarHBondContact OH-OD2 3.48Å; H50-D54 IonicContact CD2-OD1 2.63Å; H50-D54 PolarHBondContact O-N 3.26Å; H50-D54 VanDerWaalsContact O-N 3.07Å; F52-D54 VanDerWaalsContact C-N 3.26Å; F52-D54 PolarHBondContact O-N 2.89Å |
| 55 | L | 92.5 | Very high | 93 | Very high | 27 Ų | 27 | 37.6 Ų | 37.6 | 14% | 0.141 | 19% | 0.189 | C | C | . | . | I | π-helix | trans | -100.2 | -47.9 | -169.9 | -57.3 | -176.4 | 0 | 0 | 0 | 113.1 | Y22 V51 F52 L59 I94 V291 I293 | Y22-L55 HydrophobicContact CE2-CD1 3.99Å; Y22-L55 HydrophobicContact CE2-CG 4.33Å; V51-L55 HydrophobicContact CG1-CD1 4.05Å; V51-L55 WeakPolarHBondContact O-CB 3.23Å; V51-L55 PolarHBondContact O-N 3.47Å; F52-L55 PolarHBondContact O-N 2.84Å; L55-L59 WeakPolarHBondContact O-CG 3.22Å; L55-L59 PolarHBondContact O-N 3.26Å; L55-I94 HydrophobicContact CD1-CD1 4.42Å; L55-V291 HydrophobicContact CD1-CG1 4.29Å; L55-V291 HydrophobicContact CD2-CG1 4.28Å; L55-I293 HydrophobicContact CD1-CD1 4.16Å; L55-I293 HydrophobicContact CD1-CG1 4.07Å |
| 56 | G | 89.2 | Confident | 92.8 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | I | π-helix | trans | -70.8 | -38.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | F52 G58 L59 L60 | F52-G56 CarbonylContact O-C 3.51Å; F52-G56 WeakPolarHBondContact O-CA 3.28Å; F52-G56 PolarHBondContact O-N 2.89Å; G56-G58 PolarHBondContact O-N 2.91Å; G56-L59 WeakPolarHBondContact O-CB 3.45Å; G56-L59 PolarHBondContact O-N 2.94Å; G56-L60 PolarHBondContact O-N 3.45Å |
| 57 | R | 92.2 | Very high | 92.7 | Very high | 119 Ų | 119 | 39.3 Ų | 39.3 | 45% | 0.449 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -59.7 | -47.9 | 179 | -172.1 | 175.3 | -67 | -170.9 | 3.1 | 111.8 | F52 D53 L59 L60 E61 | F52-R57 PolarHBondContact O-N 3.36Å; D53-R57 WeakPolarHBondContact O-CB 3.42Å; D53-R57 IonicContact OD1-CZ 3.37Å; D53-R57 IonicContact OD1-NE 3.1Å; D53-R57 IonicContact OD1-NH2 3.64Å; D53-R57 PolarHBondContact OD1-NH2 3.02Å; R57-L59 PolarHBondContact O-N 2.86Å; R57-L60 WeakPolarHBondContact O-CB 3.36Å; R57-L60 PolarHBondContact O-N 3.45Å; R57-E61 WeakPolarHBondContact O-CG 3.43Å; R57-E61 PolarHBondContact O-N 3Å |
| 58 | G | 91.4 | Very high | 92.7 | Very high | 25 Ų | 25 | 38.8 Ų | 38.8 | 26% | 0.258 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -62.9 | -39.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | G56 L60 E61 N62 | G56-G58 PolarHBondContact O-N 2.91Å; G58-L60 VanDerWaalsContact C-N 3.31Å; G58-L60 PolarHBondContact O-N 3.27Å; G58-E61 PolarHBondContact O-N 3.48Å; G58-N62 WeakPolarHBondContact O-CB 3.12Å; G58-N62 PolarHBondContact O-N 3.25Å; G58-N62 PolarHBondContact O-ND2 3.28Å |
| 59 | L | 91.4 | Very high | 92.7 | Very high | 6 Ų | 6 | 38 Ų | 38 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.8 | -42.1 | 174.2 | -72.4 | 167.5 | 0 | 0 | 0 | 111.8 | L55 G56 R57 N62 A63 C69 L71 I98 V291 | L55-L59 WeakPolarHBondContact O-CG 3.22Å; L55-L59 PolarHBondContact O-N 3.26Å; G56-L59 WeakPolarHBondContact O-CB 3.45Å; G56-L59 PolarHBondContact O-N 2.94Å; R57-L59 PolarHBondContact O-N 2.86Å; L59-N62 PolarHBondContact O-N 3.47Å; L59-A63 PolarHBondContact O-N 2.74Å; L59-C69 HydrophobicContact CD2-CB 3.75Å; L59-C69 PolarHBondContact O-SG 3.08Å; L59-L71 HydrophobicContact CD1-CB 4.13Å; L59-L71 HydrophobicContact CD1-CD1 4.33Å; L59-L71 HydrophobicContact CD1-CD2 4.17Å; L59-L71 HydrophobicContact CD1-CG 4.45Å; L59-I98 HydrophobicContact CB-CD1 4.4Å; L59-I98 HydrophobicContact CD1-CD1 4.18Å; L59-V291 HydrophobicContact CD1-CG2 4.48Å; L59-V291 HydrophobicContact CD2-CG2 3.97Å; L59-V291 HydrophobicContact CG-CG2 4.32Å |
| 60 | L | 91.9 | Very high | 92.8 | Very high | 10 Ų | 10 | 33.1 Ų | 33.1 | 5% | 0.052 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67 | -46.4 | 178.4 | -170.8 | 63.5 | 0 | 0 | 0 | 111.7 | G56 R57 G58 N62 A63 F64 I98 E101 L102 | G56-L60 PolarHBondContact O-N 3.45Å; R57-L60 WeakPolarHBondContact O-CB 3.36Å; R57-L60 PolarHBondContact O-N 3.45Å; G58-L60 VanDerWaalsContact C-N 3.31Å; G58-L60 PolarHBondContact O-N 3.27Å; L60-N62 PolarHBondContact O-N 3.25Å; L60-A63 WeakPolarHBondContact O-CB 3.4Å; L60-A63 PolarHBondContact O-N 3.04Å; L60-A63 VanDerWaalsContact O-N 3.13Å; L60-F64 HydrophobicContact CD1-CD2 4.06Å; L60-F64 HydrophobicContact CD1-CE2 3.75Å; L60-F64 HydrophobicContact CG-CD2 4.06Å; L60-F64 HydrophobicContact CG-CE2 4.02Å; L60-F64 WeakPolarHBondContact O-CD2 3.33Å; L60-F64 PolarHBondContact O-N 3.22Å; L60-I98 HydrophobicContact CD1-CG2 4.5Å; L60-E101 HydrophobicContact CD2-CB 3.76Å; L60-E101 HydrophobicContact CD2-CG 3.49Å; L60-E101 VanDerWaalsContact CD2-CG 3.49Å; L60-L102 HydrophobicContact CD1-CB 3.85Å; L60-L102 HydrophobicContact CD1-CD1 3.97Å |
| 61 | E | 93.7 | Very high | 92.8 | Very high | 104 Ų | 104 | 28.8 Ų | 28.8 | 49% | 0.486 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -56.5 | -40.6 | 175.3 | -73 | 173 | -173.1 | 0 | 0 | 112.2 | R57 G58 F64 S65 | R57-E61 WeakPolarHBondContact O-CG 3.43Å; R57-E61 PolarHBondContact O-N 3Å; G58-E61 PolarHBondContact O-N 3.48Å; E61-F64 PolarHBondContact O-N 2.9Å; E61-S65 WeakPolarHBondContact O-CB 3.39Å; E61-S65 PolarHBondContact O-N 2.94Å; E61-S65 PolarHBondContact O-OG 2.89Å |
| 62 | N | 93.5 | Very high | 92.7 | Very high | 34 Ų | 34 | 28.4 Ų | 28.4 | 18% | 0.182 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.8 | -40.4 | 176.7 | -72.3 | -42.6 | 0 | 0 | 0 | 112.6 | G58 L59 L60 S65 G66 Y67 C69 K289 | G58-N62 WeakPolarHBondContact O-CB 3.12Å; G58-N62 PolarHBondContact O-N 3.25Å; G58-N62 PolarHBondContact O-ND2 3.28Å; L59-N62 PolarHBondContact O-N 3.47Å; L60-N62 PolarHBondContact O-N 3.25Å; N62-S65 CarbonylContact O-C 3.57Å; N62-S65 WeakPolarHBondContact O-CA 3.4Å; N62-S65 WeakPolarHBondContact O-CB 3.32Å; N62-S65 PolarHBondContact O-N 3.46Å; N62-S65 VanDerWaalsContact O-N 3.13Å; N62-G66 PolarHBondContact O-N 3.46Å; N62-Y67 WeakPolarHBondContact O-CB 3.4Å; N62-Y67 PolarHBondContact O-N 2.98Å; N62-C69 WeakPolarHBondContact CB-SG 3.39Å; N62-K289 HydrophobicContact CB-CD 3.98Å; N62-K289 VanDerWaalsContact ND2-CD 3.28Å; N62-K289 WeakPolarHBondContact ND2-CD 3.42Å; N62-K289 WeakPolarHBondContact OD1-CD 3.28Å; N62-K289 WeakPolarHBondContact OD1-CE 3.37Å; N62-K289 PolarHBondContact OD1-NZ 2.97Å |
| 63 | A | 92.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.9 | -44.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | L59 L60 S65 G66 F203 Q205 S219 I221 | L59-A63 PolarHBondContact O-N 2.74Å; L60-A63 WeakPolarHBondContact O-CB 3.4Å; L60-A63 PolarHBondContact O-N 3.04Å; L60-A63 VanDerWaalsContact O-N 3.13Å; A63-S65 PolarHBondContact O-N 3.36Å; A63-G66 PolarHBondContact O-N 2.99Å; A63-F203 HydrophobicContact CB-CD1 4.43Å; A63-Q205 PolarHBondContact O-NE2 3.46Å; A63-S219 WeakPolarHBondContact O-CB 3.37Å; A63-S219 PolarHBondContact O-OG 3.15Å; A63-I221 HydrophobicContact CB-CD1 3.81Å; A63-I221 HydrophobicContact CB-CG1 4.1Å |
| 64 | F | 92.9 | Very high | 92.6 | Very high | 20 Ų | 20 | 26.5 Ų | 26.5 | 9% | 0.088 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.1 | -25.9 | 172.8 | -84 | -84.5 | 0 | 0 | 0 | 113.2 | L60 E61 G66 L102 R105 I106 F116 F203 Q205 | L60-F64 HydrophobicContact CD1-CD2 4.06Å; L60-F64 HydrophobicContact CD1-CE2 3.75Å; L60-F64 HydrophobicContact CG-CD2 4.06Å; L60-F64 HydrophobicContact CG-CE2 4.02Å; L60-F64 WeakPolarHBondContact O-CD2 3.33Å; L60-F64 PolarHBondContact O-N 3.22Å; E61-F64 PolarHBondContact O-N 2.9Å; F64-G66 PolarHBondContact O-N 3.5Å; F64-L102 HydrophobicContact CE2-CD1 3.57Å; F64-L102 HydrophobicContact CZ-CD1 3.73Å; F64-R105 HydrophobicContact CE1-CB 4.49Å; F64-R105 HydrophobicContact CE1-CG 3.84Å; F64-R105 HydrophobicContact CE2-CB 4.2Å; F64-R105 HydrophobicContact CE2-CG 4.1Å; F64-R105 HydrophobicContact CZ-CB 3.74Å; F64-R105 VanDerWaalsContact CZ-CD 3.46Å; F64-R105 HydrophobicContact CZ-CG 3.54Å; F64-I106 HydrophobicContact CZ-CG1 4.48Å; F64-F116 HydrophobicContact CE1-CE1 4.29Å; F64-F203 AromaticContact CD1-CE1 3.9Å; F64-F203 HydrophobicContact CD1-CE1 3.9Å; F64-F203 AromaticContact CD1-CZ 3.98Å; F64-F203 HydrophobicContact CD1-CZ 3.98Å; F64-F203 HydrophobicContact CD2-CE1 4.35Å; F64-F203 AromaticContact CE1-CE1 3.95Å; F64-F203 HydrophobicContact CE1-CE1 3.95Å; F64-F203 AromaticContact CE1-CZ 3.61Å; F64-F203 HydrophobicContact CE1-CZ 3.61Å; F64-F203 HydrophobicContact CE2-CE1 4.38Å; F64-F203 HydrophobicContact CG-CE1 4.11Å; F64-F203 HydrophobicContact CZ-CE1 4.19Å; F64-F203 AromaticContact CZ-CZ 3.9Å; F64-F203 HydrophobicContact CZ-CZ 3.9Å; F64-Q205 PolarHBondContact O-NE2 2.9Å; F64-Q205 PolarHBondContact O-OE1 3.33Å |
| 65 | S | 91.9 | Very high | 92.5 | Very high | 57 Ų | 57 | 23.7 Ų | 23.7 | 40% | 0.399 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -0.9 | 172.6 | -57 | 0 | 0 | 0 | 0 | 113.3 | E61 N62 A63 | E61-S65 WeakPolarHBondContact O-CB 3.39Å; E61-S65 PolarHBondContact O-N 2.94Å; E61-S65 PolarHBondContact O-OG 2.89Å; N62-S65 CarbonylContact O-C 3.57Å; N62-S65 WeakPolarHBondContact O-CA 3.4Å; N62-S65 WeakPolarHBondContact O-CB 3.32Å; N62-S65 PolarHBondContact O-N 3.46Å; N62-S65 VanDerWaalsContact O-N 3.13Å; A63-S65 PolarHBondContact O-N 3.36Å |
| 66 | G | 90.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | 17.8 | 179 | 0 | 0 | 0 | 0 | 0 | 114.5 | N62 A63 F64 N326 | N62-G66 PolarHBondContact O-N 3.46Å; A63-G66 PolarHBondContact O-N 2.99Å; F64-G66 PolarHBondContact O-N 3.5Å; G66-N326 WeakPolarHBondContact O-CB 3.44Å; G66-N326 PolarHBondContact O-N 3.1Å |
| 67 | Y | 92.7 | Very high | 91.7 | Very high | 64 Ų | 64 | 26 Ų | 26 | 25% | 0.251 | 13% | 0.134 | S | C | . | . | trans | -90.2 | 141.8 | 173.2 | -63.5 | -68.7 | 0 | 0 | 0 | 111 | N62 S219 V323 E325 | N62-Y67 WeakPolarHBondContact O-CB 3.4Å; N62-Y67 PolarHBondContact O-N 2.98Å; Y67-S219 VanDerWaalsContact O-CB 3.28Å; Y67-S219 WeakPolarHBondContact O-CB 3.41Å; Y67-V323 HydrophobicContact CD1-CG1 3.41Å; Y67-V323 VanDerWaalsContact CD1-CG1 3.41Å; Y67-V323 HydrophobicContact CE1-CG1 3.99Å; Y67-V323 HydrophobicContact CG-CG1 4.17Å; Y67-E325 HydrophobicContact CE1-CB 4.11Å | ||
| 68 | S | 92.7 | Very high | 91.2 | Very high | 15 Ų | 15 | 24.1 Ų | 24.1 | 11% | 0.105 | 15% | 0.151 | C | C | . | . | trans | -71.7 | 142.7 | 166.2 | -62.9 | 0 | 0 | 0 | 0 | 110 | V220 N287 S288 K289 N326 | S68-V220 CarbonylContact C-O 3.31Å; S68-V220 WeakPolarHBondContact CA-O 3.42Å; S68-N287 WeakPolarHBondContact CB-O 3.37Å; S68-S288 CarbonylContact O-C 3.57Å; S68-S288 WeakPolarHBondContact O-CA 3.39Å; S68-K289 PolarHBondContact O-N 3.26Å; S68-N326 PolarHBondContact OG-ND2 3.18Å | ||
| 69 | C | 94 | Very high | 91 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 143.4 | -177.3 | -68.3 | 0 | 0 | 0 | 0 | 109.7 | L59 N62 V220 I221 N222 S288 K289 | L59-C69 HydrophobicContact CD2-CB 3.75Å; L59-C69 PolarHBondContact O-SG 3.08Å; N62-C69 WeakPolarHBondContact CB-SG 3.39Å; C69-V220 PolarHBondContact N-O 2.99Å; C69-I221 CarbonylContact O-C 3.53Å; C69-I221 WeakPolarHBondContact O-CA 3.28Å; C69-N222 PolarHBondContact O-N 3.45Å; C69-S288 VanDerWaalsContact C-OG 3.31Å; C69-K289 CarbonylContact C-O 3.5Å; C69-K289 VanDerWaalsContact CA-O 3.24Å; C69-K289 WeakPolarHBondContact CA-O 3.28Å |
| 70 | S | 93.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.007 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 127.8 | 173.2 | -61.2 | 0 | 0 | 0 | 0 | 109.3 | N222 A283 S288 K289 T290 V291 | S70-N222 CarbonylContact C-O 3.56Å; S70-N222 WeakPolarHBondContact CA-O 3.32Å; S70-N222 PolarHBondContact OG-ND2 3.47Å; S70-A283 WeakPolarHBondContact OG-CB 3.29Å; S70-S288 WeakPolarHBondContact CB-OG 3.43Å; S70-S288 PolarHBondContact N-OG 3.16Å; S70-S288 PolarHBondContact OG-OG 2.76Å; S70-K289 PolarHBondContact N-O 2.97Å; S70-T290 CarbonylContact O-C 3.55Å; S70-T290 VanDerWaalsContact O-CA 3.3Å; S70-T290 WeakPolarHBondContact O-CA 3.48Å; S70-V291 PolarHBondContact O-N 3.3Å |
| 71 | L | 93.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 121.1 | 173.2 | 177.9 | 65.7 | 0 | 0 | 0 | 107.4 | L59 M85 I94 N222 L223 V224 V291 I293 | L59-L71 HydrophobicContact CD1-CB 4.13Å; L59-L71 HydrophobicContact CD1-CD1 4.33Å; L59-L71 HydrophobicContact CD1-CD2 4.17Å; L59-L71 HydrophobicContact CD1-CG 4.45Å; L71-M85 HydrophobicContact CD2-CE 4.13Å; L71-M85 HydrophobicContact CD2-SD 3.74Å; L71-M85 HydrophobicContact CG-CE 4.19Å; L71-M85 HydrophobicContact CG-SD 3.87Å; L71-I94 HydrophobicContact CD2-CB 4.25Å; L71-I94 HydrophobicContact CD2-CD1 4.13Å; L71-I94 HydrophobicContact CD2-CG2 3.67Å; L71-N222 PolarHBondContact N-O 3.34Å; L71-L223 HydrophobicContact CB-CD2 3.99Å; L71-L223 HydrophobicContact CD2-CD2 4.13Å; L71-L223 CarbonylContact O-C 3.58Å; L71-L223 WeakPolarHBondContact O-CA 3.34Å; L71-V224 PolarHBondContact O-N 2.88Å; L71-V291 WeakPolarHBondContact CA-O 3.43Å; L71-V291 HydrophobicContact CD1-CB 3.69Å; L71-V291 HydrophobicContact CD1-CG1 3.51Å; L71-I293 HydrophobicContact CD1-CD1 3.85Å; L71-I293 HydrophobicContact CD1-CG1 3.98Å; L71-I293 HydrophobicContact CG-CD1 4.49Å |
| 72 | F | 92.9 | Very high | 90.5 | Very high | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.009 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 136.4 | 173.7 | 63.6 | -95.9 | 0 | 0 | 0 | 112.4 | V224 L226 L284 T290 V291 M292 I293 | F72-V224 CarbonylContact C-O 3.28Å; F72-V224 WeakPolarHBondContact CA-O 3.26Å; F72-V224 HydrophobicContact CB-CB 3.71Å; F72-V224 HydrophobicContact CB-CG1 4.32Å; F72-V224 HydrophobicContact CB-CG2 4.48Å; F72-L226 HydrophobicContact CD2-CD1 3.93Å; F72-L284 HydrophobicContact CE1-CD2 4.02Å; F72-L284 HydrophobicContact CZ-CD2 3.96Å; F72-T290 HydrophobicContact CD1-CG2 4.06Å; F72-T290 HydrophobicContact CE1-CG2 3.43Å; F72-T290 VanDerWaalsContact CE1-CG2 3.43Å; F72-T290 HydrophobicContact CZ-CG2 4.39Å; F72-V291 PolarHBondContact N-O 2.78Å; F72-M292 HydrophobicContact CD2-CB 4.31Å; F72-M292 HydrophobicContact CD2-CG 3.97Å; F72-M292 HydrophobicContact CE1-CB 4.42Å; F72-M292 HydrophobicContact CE2-CB 3.71Å; F72-M292 HydrophobicContact CE2-CG 3.4Å; F72-M292 VanDerWaalsContact CE2-CG 3.4Å; F72-M292 HydrophobicContact CE2-SD 3.69Å; F72-M292 HydrophobicContact CZ-CB 3.76Å; F72-M292 HydrophobicContact CZ-CG 3.96Å; F72-M292 HydrophobicContact CZ-SD 4.16Å; F72-M292 WeakPolarHBondContact O-CA 3.46Å; F72-I293 PolarHBondContact O-N 3.44Å |
| 73 | A | 93.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 132.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110 | K81 M85 V224 L226 I293 | A73-K81 HydrophobicContact CB-CB 3.88Å; A73-K81 HydrophobicContact CB-CG 4.13Å; A73-M85 HydrophobicContact CB-CG 3.71Å; A73-M85 HydrophobicContact CB-SD 4.13Å; A73-V224 PolarHBondContact N-O 2.86Å; A73-L226 VanDerWaalsContact O-CB 3.28Å; A73-L226 WeakPolarHBondContact O-CB 3.41Å; A73-L226 WeakPolarHBondContact O-CG 3.48Å; A73-L226 PolarHBondContact O-N 3.4Å; A73-I293 CarbonylContact C-O 3.42Å; A73-I293 WeakPolarHBondContact CA-O 3.28Å; A73-I293 HydrophobicContact CB-CB 4.32Å |
| 74 | Y | 93.5 | Very high | 90.2 | Very high | 13 Ų | 13 | 21.6 Ų | 21.6 | 5% | 0.051 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 141.2 | -177.3 | 178.5 | -84.6 | 0 | 0 | 0 | 110.4 | L226 S229 L252 M292 I293 A294 A295 T309 Y312 | Y74-L226 HydrophobicContact CD2-CD1 3.85Å; Y74-L226 HydrophobicContact CG-CD1 4.48Å; Y74-S229 WeakPolarHBondContact OH-CB 3.01Å; Y74-L252 HydrophobicContact CD2-CD2 4.39Å; Y74-L252 HydrophobicContact CE2-CD2 4.11Å; Y74-M292 HydrophobicContact CD1-CE 3.84Å; Y74-M292 HydrophobicContact CG-CE 3.88Å; Y74-I293 PolarHBondContact N-O 3.25Å; Y74-A294 CarbonylContact O-C 3.54Å; Y74-A294 WeakPolarHBondContact O-CA 3.22Å; Y74-A295 PolarHBondContact O-N 3.42Å; Y74-T309 HydrophobicContact CD1-CG2 3.97Å; Y74-T309 HydrophobicContact CE1-CG2 4.2Å; Y74-Y312 HydrophobicContact CD1-CD1 4.02Å; Y74-Y312 HydrophobicContact CD1-CE1 4.31Å; Y74-Y312 HydrophobicContact CD1-CG 4.4Å; Y74-Y312 HydrophobicContact CD2-CD1 4.46Å; Y74-Y312 AromaticContact CD2-CE1 3.97Å; Y74-Y312 HydrophobicContact CD2-CE1 3.97Å; Y74-Y312 AromaticContact CE1-CD1 3.93Å; Y74-Y312 HydrophobicContact CE1-CD1 3.93Å; Y74-Y312 HydrophobicContact CE1-CD2 4.27Å; Y74-Y312 HydrophobicContact CE1-CE1 4.35Å; Y74-Y312 AromaticContact CE1-CG 3.86Å; Y74-Y312 HydrophobicContact CE1-CG 3.86Å; Y74-Y312 HydrophobicContact CE2-CD1 4.33Å; Y74-Y312 HydrophobicContact CE2-CD2 4.32Å; Y74-Y312 AromaticContact CE2-CE1 3.96Å; Y74-Y312 HydrophobicContact CE2-CE1 3.96Å; Y74-Y312 AromaticContact CE2-CE2 3.96Å; Y74-Y312 HydrophobicContact CE2-CE2 3.96Å; Y74-Y312 HydrophobicContact CE2-CG 4.47Å; Y74-Y312 AromaticContact CE2-CZ 3.74Å; Y74-Y312 HydrophobicContact CG-CD1 4.3Å; Y74-Y312 HydrophobicContact CG-CE1 4.14Å; Y74-Y312 AromaticContact CZ-CD2 3.82Å; Y74-Y312 AromaticContact CZ-CE2 3.93Å; Y74-Y312 AromaticContact CZ-CG 3.88Å |
| 75 | G | 90.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | S | Bend | trans | 149.8 | 173.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | K81 S229 A295 | G75-K81 WeakPolarHBondContact O-CD 3.16Å; G75-K81 WeakPolarHBondContact O-CE 3.36Å; G75-K81 PolarHBondContact O-NZ 2.96Å; G75-S229 WeakPolarHBondContact CA-OG 3.4Å; G75-S229 PolarHBondContact O-N 2.81Å; G75-A295 WeakPolarHBondContact CA-O 3.38Å |
| 76 | Q | 85.3 | Confident | 89.8 | Confident | 16 Ų | 16 | 20 Ų | 20 | 8% | 0.075 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -63 | 160.9 | -178.8 | 66.4 | 176.9 | 93.3 | 0 | 0 | 113 | G78 S79 K81 S229 E230 N302 E305 | Q76-G78 PolarHBondContact O-N 3.48Å; Q76-S79 WeakPolarHBondContact O-CB 3.33Å; Q76-S79 PolarHBondContact O-N 2.94Å; Q76-S79 PolarHBondContact O-OG 3.42Å; Q76-K81 VanDerWaalsContact C-NZ 3.29Å; Q76-K81 PolarHBondContact O-NZ 3.04Å; Q76-S229 PolarHBondContact N-OG 3.47Å; Q76-S229 VanDerWaalsContact N-OG 3.09Å; Q76-E230 VanDerWaalsContact CA-OE2 3.25Å; Q76-E230 WeakPolarHBondContact CA-OE2 3.16Å; Q76-N302 PolarHBondContact NE2-ND2 2.92Å; Q76-N302 PolarHBondContact NE2-OD1 3.24Å; Q76-E305 HydrophobicContact CB-CB 4.43Å |
| 77 | T | 79.7 | Confident | 89.5 | Confident | 60 Ų | 60 | 20.4 Ų | 20.4 | 37% | 0.368 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 138.5 | 169.7 | -60.2 | 0 | 0 | 0 | 0 | 111 | S79 E230 | T77-S79 VanDerWaalsContact C-N 3.29Å; T77-S79 PolarHBondContact O-N 3.37Å; T77-E230 WeakPolarHBondContact CB-OE1 3.42Å; T77-E230 PolarHBondContact N-OE2 3.48Å; T77-E230 PolarHBondContact OG1-OE1 2.73Å; T77-E230 PolarHBondContact OG1-OE2 2.78Å |
| 78 | G | 81.1 | Confident | 88.8 | Confident | 78 Ų | 78 | 21.2 Ų | 21.2 | 80% | 0.804 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | 1.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q76 G80 | Q76-G78 PolarHBondContact O-N 3.48Å; G78-G80 VanDerWaalsContact C-N 3.28Å; G78-G80 PolarHBondContact O-N 3.42Å |
| 79 | S | 87.8 | Confident | 88 | Confident | 14 Ų | 14 | 24 Ų | 24 | 10% | 0.098 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -80.3 | -0.6 | 179.7 | 70.3 | 0 | 0 | 0 | 0 | 115.5 | Q76 T77 A295 | Q76-S79 WeakPolarHBondContact O-CB 3.33Å; Q76-S79 PolarHBondContact O-N 2.94Å; Q76-S79 PolarHBondContact O-OG 3.42Å; T77-S79 VanDerWaalsContact C-N 3.29Å; T77-S79 PolarHBondContact O-N 3.37Å; S79-A295 WeakPolarHBondContact CB-O 3.42Å; S79-A295 VanDerWaalsContact OG-CB 3.24Å; S79-A295 WeakPolarHBondContact OG-CB 3.46Å; S79-A295 PolarHBondContact OG-O 2.78Å |
| 80 | G | 89.2 | Confident | 87.5 | Confident | 21 Ų | 21 | 27 Ų | 27 | 22% | 0.216 | 19% | 0.187 | C | C | . | . | S | Bend | trans | 102.4 | 9.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | G78 S82 Y83 S84 | G78-G80 VanDerWaalsContact C-N 3.28Å; G78-G80 PolarHBondContact O-N 3.42Å; G80-S82 PolarHBondContact O-N 3.47Å; G80-Y83 WeakPolarHBondContact O-CB 3.35Å; G80-Y83 PolarHBondContact O-N 2.7Å; G80-S84 PolarHBondContact O-N 2.89Å; G80-S84 PolarHBondContact O-OG 3.13Å |
| 81 | K | 91.1 | Very high | 87.2 | Confident | 15 Ų | 15 | 27.8 Ų | 27.8 | 7% | 0.065 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -51.9 | -59.1 | 177.8 | -62.6 | -174.3 | -62.2 | -71.1 | 0 | 113.3 | A73 G75 Q76 Y83 S84 M85 D225 L226 A295 | A73-K81 HydrophobicContact CB-CB 3.88Å; A73-K81 HydrophobicContact CB-CG 4.13Å; G75-K81 WeakPolarHBondContact O-CD 3.16Å; G75-K81 WeakPolarHBondContact O-CE 3.36Å; G75-K81 PolarHBondContact O-NZ 2.96Å; Q76-K81 VanDerWaalsContact C-NZ 3.29Å; Q76-K81 PolarHBondContact O-NZ 3.04Å; K81-Y83 VanDerWaalsContact C-N 3.28Å; K81-Y83 PolarHBondContact O-N 3.23Å; K81-S84 PolarHBondContact O-N 2.77Å; K81-M85 WeakPolarHBondContact O-CG 3.41Å; K81-M85 PolarHBondContact O-N 3.39Å; K81-D225 WeakPolarHBondContact CB-OD1 3.48Å; K81-L226 WeakPolarHBondContact CE-O 3.33Å; K81-A295 HydrophobicContact CG-CB 3.72Å |
| 82 | S | 85.9 | Confident | 87 | Confident | 26 Ų | 26 | 30.9 Ų | 30.9 | 18% | 0.182 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.1 | -29.5 | -178.3 | -45 | 0 | 0 | 0 | 0 | 112 | G80 I86 G87 D225 | G80-S82 PolarHBondContact O-N 3.47Å; S82-I86 PolarHBondContact O-N 3.43Å; S82-G87 PolarHBondContact O-N 3.46Å; S82-G87 VanDerWaalsContact O-N 3.09Å; S82-D225 WeakPolarHBondContact CB-OD2 3.46Å; S82-D225 PolarHBondContact OG-OD2 2.84Å |
| 83 | Y | 89.1 | Confident | 87 | Confident | 30 Ų | 30 | 30.8 Ų | 30.8 | 12% | 0.118 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63 | -50.2 | 170.7 | 179.1 | -108.1 | 0 | 0 | 0 | 111.3 | Y45 Q48 G80 K81 M85 G87 Y88 N91 | Y45-Y83 PolarHBondContact OH-OH 3.02Å; Q48-Y83 HydrophobicContact CG-CE1 3.99Å; Q48-Y83 PolarHBondContact NE2-O 2.82Å; G80-Y83 WeakPolarHBondContact O-CB 3.35Å; G80-Y83 PolarHBondContact O-N 2.7Å; K81-Y83 VanDerWaalsContact C-N 3.28Å; K81-Y83 PolarHBondContact O-N 3.23Å; Y83-M85 PolarHBondContact O-N 2.75Å; Y83-G87 WeakPolarHBondContact O-CA 3.46Å; Y83-G87 PolarHBondContact O-N 2.72Å; Y83-Y88 AromaticContact CD2-CD2 3.43Å; Y83-Y88 HydrophobicContact CD2-CD2 3.43Å; Y83-Y88 VanDerWaalsContact CD2-CD2 3.43Å; Y83-Y88 AromaticContact CD2-CE2 3.88Å; Y83-Y88 HydrophobicContact CD2-CE2 3.88Å; Y83-Y88 HydrophobicContact CD2-CG 4.28Å; Y83-Y88 HydrophobicContact CE2-CD2 4.24Å; Y83-Y88 HydrophobicContact CG-CD2 4.26Å; Y83-Y88 HydrophobicContact CG-CE2 4.27Å; Y83-N91 HydrophobicContact CE2-CB 3.97Å |
| 84 | S | 91.7 | Very high | 86.9 | Confident | 21 Ų | 21 | 30.9 Ų | 30.9 | 15% | 0.147 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.8 | -38.9 | 177.9 | -59 | 0 | 0 | 0 | 0 | 112.6 | G80 K81 G93 I94 | G80-S84 PolarHBondContact O-N 2.89Å; G80-S84 PolarHBondContact O-OG 3.13Å; K81-S84 PolarHBondContact O-N 2.77Å; S84-G93 WeakPolarHBondContact O-CA 3.48Å; S84-I94 WeakPolarHBondContact O-CG1 3.39Å; S84-I94 PolarHBondContact O-N 3.43Å |
| 85 | M | 89.6 | Confident | 86.6 | Confident | 5 Ų | 5 | 30.3 Ų | 30.3 | 3% | 0.025 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -75.4 | -57.3 | -177.7 | -68.6 | -63.9 | -71.1 | 0 | 0 | 112.4 | L71 A73 K81 Y83 G93 I94 V95 L223 | L71-M85 HydrophobicContact CD2-CE 4.13Å; L71-M85 HydrophobicContact CD2-SD 3.74Å; L71-M85 HydrophobicContact CG-CE 4.19Å; L71-M85 HydrophobicContact CG-SD 3.87Å; A73-M85 HydrophobicContact CB-CG 3.71Å; A73-M85 HydrophobicContact CB-SD 4.13Å; K81-M85 WeakPolarHBondContact O-CG 3.41Å; K81-M85 PolarHBondContact O-N 3.39Å; Y83-M85 PolarHBondContact O-N 2.75Å; M85-G93 CarbonylContact O-C 3.58Å; M85-I94 PolarHBondContact O-N 2.93Å; M85-V95 HydrophobicContact CE-CG2 4.01Å; M85-V95 VanDerWaalsContact O-CB 3.23Å; M85-V95 WeakPolarHBondContact O-CB 3.11Å; M85-V95 VanDerWaalsContact O-CG2 3.28Å; M85-V95 WeakPolarHBondContact O-CG2 3.35Å; M85-V95 PolarHBondContact O-N 2.63Å; M85-L223 HydrophobicContact CE-CB 3.9Å; M85-L223 HydrophobicContact CE-CD2 4.43Å |
| 86 | I | 85.8 | Confident | 86.5 | Confident | 39 Ų | 39 | 30.6 Ų | 30.6 | 20% | 0.2 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -42.8 | -172.5 | -59.1 | 174.1 | 0 | 0 | 0 | 110.9 | S82 G93 P96 | S82-I86 PolarHBondContact O-N 3.43Å; I86-G93 WeakPolarHBondContact O-CA 3.45Å; I86-G93 PolarHBondContact O-N 3.02Å; I86-P96 VanDerWaalsContact O-CG 3.27Å; I86-P96 WeakPolarHBondContact O-CG 3.14Å |
| 87 | G | 84.6 | Confident | 86.8 | Confident | 8 Ų | 8 | 30.3 Ų | 30.3 | 8% | 0.082 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 88.8 | 175.9 | -174 | 0 | 0 | 0 | 0 | 0 | 113.8 | S82 Y83 N91 Q425 | S82-G87 PolarHBondContact O-N 3.46Å; S82-G87 VanDerWaalsContact O-N 3.09Å; Y83-G87 WeakPolarHBondContact O-CA 3.46Å; Y83-G87 PolarHBondContact O-N 2.72Å; G87-N91 CarbonylContact C-O 3.56Å; G87-N91 WeakPolarHBondContact CA-O 3.42Å; G87-Q425 PolarHBondContact O-NE2 3.16Å |
| 88 | Y | 78.3 | Confident | 87.4 | Confident | 80 Ų | 80 | 27.5 Ų | 27.5 | 31% | 0.314 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 129.1 | 179.4 | -61.9 | -56.8 | 0 | 0 | 0 | 110.9 | Y83 N91 P424 Q425 | Y83-Y88 AromaticContact CD2-CD2 3.43Å; Y83-Y88 HydrophobicContact CD2-CD2 3.43Å; Y83-Y88 VanDerWaalsContact CD2-CD2 3.43Å; Y83-Y88 AromaticContact CD2-CE2 3.88Å; Y83-Y88 HydrophobicContact CD2-CE2 3.88Å; Y83-Y88 HydrophobicContact CD2-CG 4.28Å; Y83-Y88 HydrophobicContact CE2-CD2 4.24Å; Y83-Y88 HydrophobicContact CG-CD2 4.26Å; Y83-Y88 HydrophobicContact CG-CE2 4.27Å; Y88-N91 PolarHBondContact N-O 3.25Å; Y88-N91 VanDerWaalsContact N-O 3.09Å; Y88-N91 WeakPolarHBondContact O-CB 3.42Å; Y88-N91 PolarHBondContact O-N 2.91Å; Y88-P424 HydrophobicContact CE1-CB 4.49Å; Y88-Q425 HydrophobicContact CD1-CG 3.87Å; Y88-Q425 HydrophobicContact CE1-CB 4.24Å; Y88-Q425 HydrophobicContact CE1-CG 3.53Å; Y88-Q425 VanDerWaalsContact CE1-NE2 3.34Å |
| 89 | G | 76.8 | Confident | 87.8 | Confident | 73 Ų | 73 | 23.8 Ų | 23.8 | 75% | 0.753 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | -124 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | N91 | G89-N91 VanDerWaalsContact C-N 3.26Å; G89-N91 PolarHBondContact O-N 3.47Å |
| 90 | P | 82.5 | Confident | 88 | Confident | 63 Ų | 63 | 26 Ų | 26 | 41% | 0.409 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -17.5 | 179.5 | 32.1 | -36.2 | 0 | 0 | 0 | 113.3 | D33 G34 V35 R92 | D33-P90 WeakPolarHBondContact O-CB 3.33Å; D33-P90 WeakPolarHBondContact O-CG 3.38Å; G34-P90 VanDerWaalsContact O-CG 3.28Å; G34-P90 WeakPolarHBondContact O-CG 3.5Å; V35-P90 HydrophobicContact CG2-CB 3.86Å; P90-R92 VanDerWaalsContact C-N 3.32Å; P90-R92 PolarHBondContact O-N 3.45Å |
| 91 | N | 88.6 | Confident | 88.2 | Confident | 19 Ų | 19 | 27.8 Ų | 27.8 | 10% | 0.102 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 71.8 | -178.5 | -64 | -76 | 0 | 0 | 0 | 111.1 | G34 L36 Y83 G87 Y88 G89 | G34-N91 PolarHBondContact O-ND2 3.19Å; L36-N91 PolarHBondContact N-OD1 2.88Å; Y83-N91 HydrophobicContact CE2-CB 3.97Å; G87-N91 CarbonylContact C-O 3.56Å; G87-N91 WeakPolarHBondContact CA-O 3.42Å; Y88-N91 PolarHBondContact N-O 3.25Å; Y88-N91 VanDerWaalsContact N-O 3.09Å; Y88-N91 WeakPolarHBondContact O-CB 3.42Å; Y88-N91 PolarHBondContact O-N 2.91Å; G89-N91 VanDerWaalsContact C-N 3.26Å; G89-N91 PolarHBondContact O-N 3.47Å |
| 92 | R | 89.7 | Confident | 88.3 | Confident | 66 Ų | 66 | 27.1 Ų | 27.1 | 25% | 0.249 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 133.1 | -178.7 | -67.4 | 173.6 | 66.4 | -159 | -4.4 | 111.6 | Q48 P90 P96 I97 E100 | Q48-R92 VanDerWaalsContact CB-O 3.24Å; Q48-R92 WeakPolarHBondContact CB-O 3.25Å; P90-R92 VanDerWaalsContact C-N 3.32Å; P90-R92 PolarHBondContact O-N 3.45Å; R92-P96 HydrophobicContact CB-CB 4.12Å; R92-P96 HydrophobicContact CG-CB 4.4Å; R92-P96 PolarHBondContact NH2-O 2.94Å; R92-I97 HydrophobicContact CB-CG1 4.22Å; R92-E100 IonicContact CZ-OE1 3.34Å; R92-E100 IonicContact CZ-OE2 3.27Å; R92-E100 IonicContact NH1-OE1 3.19Å; R92-E100 PolarHBondContact NH1-OE1 2.8Å; R92-E100 IonicContact NH1-OE2 3.9Å; R92-E100 PolarHBondContact NH1-OE2 3.18Å; R92-E100 IonicContact NH2-OE1 3.06Å; R92-E100 PolarHBondContact NH2-OE1 2.74Å; R92-E100 IonicContact NH2-OE2 3.72Å; R92-E100 PolarHBondContact NH2-OE2 3.45Å |
| 93 | G | 91.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -82.2 | -174.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q48 S84 M85 I86 V95 P96 I97 | Q48-G93 VanDerWaalsContact NE2-CA 3.32Å; S84-G93 WeakPolarHBondContact O-CA 3.48Å; M85-G93 CarbonylContact O-C 3.58Å; I86-G93 WeakPolarHBondContact O-CA 3.45Å; I86-G93 PolarHBondContact O-N 3.02Å; G93-V95 VanDerWaalsContact C-N 3.31Å; G93-V95 PolarHBondContact O-N 2.77Å; G93-P96 WeakPolarHBondContact O-CD 3.24Å; G93-I97 WeakPolarHBondContact O-CD1 3.39Å; G93-I97 VanDerWaalsContact O-CG1 3.26Å; G93-I97 WeakPolarHBondContact O-CG1 3.29Å; G93-I97 PolarHBondContact O-N 3.11Å | ||
| 94 | I | 91.8 | Very high | 88.9 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.2 | -40.2 | -175.2 | -64 | 167 | 0 | 0 | 0 | 111.7 | V51 L55 L71 S84 M85 I97 I98 I293 | V51-I94 HydrophobicContact CG1-CD1 3.9Å; V51-I94 HydrophobicContact CG1-CG1 4.31Å; L55-I94 HydrophobicContact CD1-CD1 4.42Å; L71-I94 HydrophobicContact CD2-CB 4.25Å; L71-I94 HydrophobicContact CD2-CD1 4.13Å; L71-I94 HydrophobicContact CD2-CG2 3.67Å; S84-I94 WeakPolarHBondContact O-CG1 3.39Å; S84-I94 PolarHBondContact O-N 3.43Å; M85-I94 PolarHBondContact O-N 2.93Å; I94-I97 PolarHBondContact O-N 2.87Å; I94-I98 HydrophobicContact CG2-CD1 3.45Å; I94-I98 VanDerWaalsContact CG2-CD1 3.45Å; I94-I98 HydrophobicContact CG2-CG1 3.96Å; I94-I98 WeakPolarHBondContact O-CB 3.36Å; I94-I98 VanDerWaalsContact O-CG1 3.31Å; I94-I98 WeakPolarHBondContact O-CG1 3.36Å; I94-I98 PolarHBondContact O-N 3.33Å; I94-I293 HydrophobicContact CD1-CD1 3.45Å; I94-I293 VanDerWaalsContact CD1-CD1 3.45Å |
| 95 | V | 88.3 | Confident | 88.9 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.012 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.6 | -54.1 | -175.9 | 172.4 | 0 | 0 | 0 | 0 | 111.8 | M85 G93 I97 I98 C99 M174 L223 | M85-V95 HydrophobicContact CE-CG2 4.01Å; M85-V95 VanDerWaalsContact O-CB 3.23Å; M85-V95 WeakPolarHBondContact O-CB 3.11Å; M85-V95 VanDerWaalsContact O-CG2 3.28Å; M85-V95 WeakPolarHBondContact O-CG2 3.35Å; M85-V95 PolarHBondContact O-N 2.63Å; G93-V95 VanDerWaalsContact C-N 3.31Å; G93-V95 PolarHBondContact O-N 2.77Å; V95-I97 VanDerWaalsContact C-N 3.28Å; V95-I97 PolarHBondContact O-N 3.31Å; V95-I98 PolarHBondContact O-N 2.75Å; V95-C99 PolarHBondContact O-N 3.4Å; V95-C99 VanDerWaalsContact O-N 3.07Å; V95-C99 PolarHBondContact O-SG 2.89Å; V95-M174 HydrophobicContact CG1-SD 3.99Å; V95-L223 HydrophobicContact CB-CD1 4.13Å; V95-L223 HydrophobicContact CG1-CD1 3.65Å; V95-L223 HydrophobicContact CG2-CB 4.05Å; V95-L223 HydrophobicContact CG2-CD1 3.56Å; V95-L223 HydrophobicContact CG2-CD2 3.93Å; V95-L223 HydrophobicContact CG2-CG 4.03Å |
| 96 | P | 89 | Confident | 89 | Confident | 6 Ų | 6 | 34.2 Ų | 34.2 | 4% | 0.039 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -53.7 | -41.3 | 173 | -32.7 | 37.6 | 0 | 0 | 0 | 114.9 | I86 R92 G93 C99 E100 Y167 | I86-P96 VanDerWaalsContact O-CG 3.27Å; I86-P96 WeakPolarHBondContact O-CG 3.14Å; R92-P96 HydrophobicContact CB-CB 4.12Å; R92-P96 HydrophobicContact CG-CB 4.4Å; R92-P96 PolarHBondContact NH2-O 2.94Å; G93-P96 WeakPolarHBondContact O-CD 3.24Å; P96-C99 PolarHBondContact O-N 2.86Å; P96-E100 WeakPolarHBondContact O-CB 3.41Å; P96-E100 PolarHBondContact O-N 2.91Å; P96-E100 VanDerWaalsContact O-N 3.07Å; P96-Y167 HydrophobicContact CB-CE2 4.01Å; P96-Y167 WeakPolarHBondContact CB-OH 3.27Å |
| 97 | I | 91.7 | Very high | 89.2 | Confident | 9 Ų | 9 | 37.4 Ų | 37.4 | 5% | 0.046 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -72.5 | -42 | -176 | -56.8 | 166.2 | 0 | 0 | 0 | 110.6 | F52 R92 G93 I94 V95 C99 E100 E101 | F52-I97 HydrophobicContact CB-CB 4.49Å; F52-I97 HydrophobicContact CB-CD1 3.94Å; F52-I97 HydrophobicContact CB-CG2 4.24Å; F52-I97 HydrophobicContact CD1-CG2 3.55Å; F52-I97 HydrophobicContact CD2-CB 3.69Å; F52-I97 HydrophobicContact CD2-CG2 3.44Å; F52-I97 VanDerWaalsContact CD2-CG2 3.44Å; F52-I97 HydrophobicContact CE1-CG2 3.65Å; F52-I97 HydrophobicContact CE2-CB 4.04Å; F52-I97 HydrophobicContact CE2-CG2 3.55Å; F52-I97 HydrophobicContact CG-CB 3.99Å; F52-I97 HydrophobicContact CG-CD1 4.31Å; F52-I97 HydrophobicContact CG-CG2 3.43Å; F52-I97 VanDerWaalsContact CG-CG2 3.43Å; F52-I97 HydrophobicContact CZ-CG2 3.65Å; R92-I97 HydrophobicContact CB-CG1 4.22Å; G93-I97 WeakPolarHBondContact O-CD1 3.39Å; G93-I97 VanDerWaalsContact O-CG1 3.26Å; G93-I97 WeakPolarHBondContact O-CG1 3.29Å; G93-I97 PolarHBondContact O-N 3.11Å; I94-I97 PolarHBondContact O-N 2.87Å; V95-I97 VanDerWaalsContact C-N 3.28Å; V95-I97 PolarHBondContact O-N 3.31Å; I97-C99 VanDerWaalsContact C-N 3.32Å; I97-C99 PolarHBondContact O-N 2.82Å; I97-E100 PolarHBondContact O-N 2.96Å; I97-E101 WeakPolarHBondContact O-CB 3.39Å; I97-E101 PolarHBondContact O-N 2.94Å |
| 98 | I | 91.3 | Very high | 89.5 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.1 | -46.8 | 173.3 | -74.9 | 176.6 | 0 | 0 | 0 | 110.6 | F52 L59 L60 I94 V95 L102 | F52-I98 HydrophobicContact CD2-CG1 4.09Å; F52-I98 HydrophobicContact CE2-CB 4.44Å; F52-I98 HydrophobicContact CE2-CG1 3.68Å; L59-I98 HydrophobicContact CB-CD1 4.4Å; L59-I98 HydrophobicContact CD1-CD1 4.18Å; L60-I98 HydrophobicContact CD1-CG2 4.5Å; I94-I98 HydrophobicContact CG2-CD1 3.45Å; I94-I98 VanDerWaalsContact CG2-CD1 3.45Å; I94-I98 HydrophobicContact CG2-CG1 3.96Å; I94-I98 WeakPolarHBondContact O-CB 3.36Å; I94-I98 VanDerWaalsContact O-CG1 3.31Å; I94-I98 WeakPolarHBondContact O-CG1 3.36Å; I94-I98 PolarHBondContact O-N 3.33Å; V95-I98 PolarHBondContact O-N 2.75Å; I98-L102 WeakPolarHBondContact O-CB 3.01Å; I98-L102 PolarHBondContact O-N 3.28Å |
| 99 | C | 91.1 | Very high | 90 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.8 | -41.4 | -177.3 | -69 | 0 | 0 | 0 | 0 | 112.3 | V95 P96 I97 F103 Y167 I170 I201 | V95-C99 PolarHBondContact O-N 3.4Å; V95-C99 VanDerWaalsContact O-N 3.07Å; V95-C99 PolarHBondContact O-SG 2.89Å; P96-C99 PolarHBondContact O-N 2.86Å; I97-C99 VanDerWaalsContact C-N 3.32Å; I97-C99 PolarHBondContact O-N 2.82Å; C99-F103 VanDerWaalsContact O-CD2 3.27Å; C99-F103 WeakPolarHBondContact O-CD2 3.47Å; C99-F103 PolarHBondContact O-N 3.26Å; C99-F103 VanDerWaalsContact O-N 3.16Å; C99-Y167 HydrophobicContact CB-CD2 3.53Å; C99-Y167 HydrophobicContact CB-CE2 4.15Å; C99-I170 HydrophobicContact CB-CD1 4.06Å; C99-I201 WeakPolarHBondContact SG-CD1 3.27Å |
| 100 | E | 91.1 | Very high | 90.5 | Very high | 61 Ų | 61 | 48.3 Ų | 48.3 | 29% | 0.285 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.8 | -52 | 175.8 | -177.9 | 176.5 | -112.4 | 0 | 0 | 111.5 | R92 P96 I97 L102 F103 D104 Y167 | R92-E100 IonicContact CZ-OE1 3.34Å; R92-E100 IonicContact CZ-OE2 3.27Å; R92-E100 IonicContact NH1-OE1 3.19Å; R92-E100 PolarHBondContact NH1-OE1 2.8Å; R92-E100 IonicContact NH1-OE2 3.9Å; R92-E100 PolarHBondContact NH1-OE2 3.18Å; R92-E100 IonicContact NH2-OE1 3.06Å; R92-E100 PolarHBondContact NH2-OE1 2.74Å; R92-E100 IonicContact NH2-OE2 3.72Å; R92-E100 PolarHBondContact NH2-OE2 3.45Å; P96-E100 WeakPolarHBondContact O-CB 3.41Å; P96-E100 PolarHBondContact O-N 2.91Å; P96-E100 VanDerWaalsContact O-N 3.07Å; I97-E100 PolarHBondContact O-N 2.96Å; E100-L102 VanDerWaalsContact C-N 3.28Å; E100-L102 PolarHBondContact O-N 2.69Å; E100-F103 PolarHBondContact O-N 3.36Å; E100-F103 VanDerWaalsContact O-N 3.13Å; E100-D104 WeakPolarHBondContact O-CB 3.42Å; E100-D104 PolarHBondContact O-N 3.5Å; E100-Y167 HydrophobicContact CB-CD1 4.35Å; E100-Y167 HydrophobicContact CB-CG 4.15Å |
| 101 | E | 92.9 | Very high | 90.8 | Very high | 59 Ų | 59 | 47.7 Ų | 47.7 | 28% | 0.276 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.8 | -32.8 | -179.4 | -164.5 | 72.7 | -146.6 | 0 | 0 | 112.2 | F52 L60 I97 R105 | F52-E101 HydrophobicContact CZ-CB 4.24Å; F52-E101 HydrophobicContact CZ-CG 4.41Å; L60-E101 HydrophobicContact CD2-CB 3.76Å; L60-E101 HydrophobicContact CD2-CG 3.49Å; L60-E101 VanDerWaalsContact CD2-CG 3.49Å; I97-E101 WeakPolarHBondContact O-CB 3.39Å; I97-E101 PolarHBondContact O-N 2.94Å; E101-R105 WeakPolarHBondContact O-CB 3.48Å; E101-R105 PolarHBondContact O-N 2.99Å |
| 102 | L | 93.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.6 | -52.2 | 171.8 | 174.5 | 65.5 | 0 | 0 | 0 | 111 | L60 F64 I98 E100 R105 I106 V118 I201 F203 | L60-L102 HydrophobicContact CD1-CB 3.85Å; L60-L102 HydrophobicContact CD1-CD1 3.97Å; F64-L102 HydrophobicContact CE2-CD1 3.57Å; F64-L102 HydrophobicContact CZ-CD1 3.73Å; I98-L102 WeakPolarHBondContact O-CB 3.01Å; I98-L102 PolarHBondContact O-N 3.28Å; E100-L102 VanDerWaalsContact C-N 3.28Å; E100-L102 PolarHBondContact O-N 2.69Å; L102-R105 PolarHBondContact O-N 2.88Å; L102-I106 HydrophobicContact CD1-CD1 4.14Å; L102-I106 HydrophobicContact CG-CD1 4.01Å; L102-I106 VanDerWaalsContact O-CG1 3.27Å; L102-I106 WeakPolarHBondContact O-CG1 3.45Å; L102-I106 PolarHBondContact O-N 2.98Å; L102-V118 HydrophobicContact CD2-CG1 4.5Å; L102-V118 HydrophobicContact CD2-CG2 4.39Å; L102-I201 HydrophobicContact CD2-CG2 4.45Å; L102-F203 HydrophobicContact CD1-CD1 4.24Å; L102-F203 HydrophobicContact CD1-CD2 4.23Å; L102-F203 HydrophobicContact CD1-CE1 4.16Å; L102-F203 HydrophobicContact CD1-CE2 4.1Å; L102-F203 HydrophobicContact CD1-CG 4.28Å; L102-F203 HydrophobicContact CD1-CZ 4.07Å |
| 103 | F | 93.6 | Very high | 90.3 | Very high | 13 Ų | 13 | 52.2 Ų | 52.2 | 6% | 0.057 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -71.4 | -34.7 | -179.3 | -81.9 | -68.7 | 0 | 0 | 0 | 112.5 | C99 E100 R105 I106 C107 V118 V164 G165 S166 I170 | C99-F103 VanDerWaalsContact O-CD2 3.27Å; C99-F103 WeakPolarHBondContact O-CD2 3.47Å; C99-F103 PolarHBondContact O-N 3.26Å; C99-F103 VanDerWaalsContact O-N 3.16Å; E100-F103 PolarHBondContact O-N 3.36Å; E100-F103 VanDerWaalsContact O-N 3.13Å; F103-R105 VanDerWaalsContact C-N 3.29Å; F103-R105 PolarHBondContact O-N 2.87Å; F103-I106 HydrophobicContact CD1-CD1 4Å; F103-I106 HydrophobicContact CE1-CD1 4.22Å; F103-I106 PolarHBondContact O-N 3.44Å; F103-C107 WeakPolarHBondContact O-CB 3.42Å; F103-C107 PolarHBondContact O-N 3.3Å; F103-C107 PolarHBondContact O-SG 2.76Å; F103-V118 HydrophobicContact CE1-CB 4.5Å; F103-V118 HydrophobicContact CE1-CG2 4.08Å; F103-V118 HydrophobicContact CZ-CB 4.01Å; F103-V118 HydrophobicContact CZ-CG1 4.19Å; F103-V118 HydrophobicContact CZ-CG2 3.95Å; F103-V164 HydrophobicContact CZ-CG2 4.21Å; F103-G165 WeakPolarHBondContact CE1-O 3.28Å; F103-S166 WeakPolarHBondContact CE2-O 3.49Å; F103-I170 HydrophobicContact CE2-CD1 3.64Å; F103-I170 HydrophobicContact CE2-CG1 4.17Å; F103-I170 HydrophobicContact CZ-CD1 4.47Å |
| 104 | D | 92.6 | Very high | 90.1 | Very high | 69 Ų | 69 | 55.9 Ų | 55.9 | 37% | 0.369 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.5 | -41.8 | 172.9 | -79.6 | -4.1 | 0 | 0 | 0 | 111.4 | E100 C107 K108 | E100-D104 WeakPolarHBondContact O-CB 3.42Å; E100-D104 PolarHBondContact O-N 3.5Å; D104-C107 PolarHBondContact O-N 2.99Å; D104-K108 WeakPolarHBondContact O-CB 3.43Å; D104-K108 VanDerWaalsContact O-CG 3.26Å; D104-K108 WeakPolarHBondContact O-CG 3.46Å; D104-K108 PolarHBondContact O-N 3.32Å |
| 105 | R | 92.5 | Very high | 90 | Very high | 118 Ų | 118 | 60.7 Ų | 60.7 | 45% | 0.445 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -71.1 | -35 | 176.2 | -174.7 | 167.4 | 174.3 | -177.7 | 4.7 | 112.8 | F64 E101 L102 F103 K108 N109 | F64-R105 HydrophobicContact CE1-CB 4.49Å; F64-R105 HydrophobicContact CE1-CG 3.84Å; F64-R105 HydrophobicContact CE2-CB 4.2Å; F64-R105 HydrophobicContact CE2-CG 4.1Å; F64-R105 HydrophobicContact CZ-CB 3.74Å; F64-R105 VanDerWaalsContact CZ-CD 3.46Å; F64-R105 HydrophobicContact CZ-CG 3.54Å; E101-R105 WeakPolarHBondContact O-CB 3.48Å; E101-R105 PolarHBondContact O-N 2.99Å; L102-R105 PolarHBondContact O-N 2.88Å; F103-R105 VanDerWaalsContact C-N 3.29Å; F103-R105 PolarHBondContact O-N 2.87Å; R105-K108 PolarHBondContact O-N 2.75Å; R105-N109 PolarHBondContact O-N 2.7Å |
| 106 | I | 92.4 | Very high | 90.2 | Very high | 31 Ų | 31 | 62.5 Ų | 62.5 | 16% | 0.159 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.6 | -45.6 | 171.9 | -71.3 | 166.3 | 0 | 0 | 0 | 110.3 | F64 L102 F103 K108 N109 F116 V118 F203 | F64-I106 HydrophobicContact CZ-CG1 4.48Å; L102-I106 HydrophobicContact CD1-CD1 4.14Å; L102-I106 HydrophobicContact CG-CD1 4.01Å; L102-I106 VanDerWaalsContact O-CG1 3.27Å; L102-I106 WeakPolarHBondContact O-CG1 3.45Å; L102-I106 PolarHBondContact O-N 2.98Å; F103-I106 HydrophobicContact CD1-CD1 4Å; F103-I106 HydrophobicContact CE1-CD1 4.22Å; F103-I106 PolarHBondContact O-N 3.44Å; I106-K108 VanDerWaalsContact C-N 3.32Å; I106-K108 PolarHBondContact O-N 3.02Å; I106-N109 WeakPolarHBondContact O-CB 3.39Å; I106-N109 PolarHBondContact O-N 3.41Å; I106-F116 HydrophobicContact CB-CD2 4.33Å; I106-F116 HydrophobicContact CD1-CB 4.13Å; I106-F116 HydrophobicContact CG1-CB 4.03Å; I106-F116 HydrophobicContact CG1-CD1 4.45Å; I106-F116 HydrophobicContact CG1-CD2 4.12Å; I106-F116 HydrophobicContact CG1-CG 3.93Å; I106-F116 HydrophobicContact CG2-CB 4.05Å; I106-F116 HydrophobicContact CG2-CD2 3.88Å; I106-F116 HydrophobicContact CG2-CG 4.23Å; I106-V118 HydrophobicContact CD1-CG2 3.9Å; I106-F203 HydrophobicContact CD1-CE2 3.85Å; I106-F203 HydrophobicContact CG1-CE2 4.21Å |
| 107 | C | 89.5 | Confident | 90.4 | Very high | 107 Ų | 107 | 62.8 Ų | 62.8 | 72% | 0.723 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -66.5 | -31.6 | -180 | -71 | 0 | 0 | 0 | 0 | 113.2 | F103 D104 N109 | F103-C107 WeakPolarHBondContact O-CB 3.42Å; F103-C107 PolarHBondContact O-N 3.3Å; F103-C107 PolarHBondContact O-SG 2.76Å; D104-C107 PolarHBondContact O-N 2.99Å; C107-N109 VanDerWaalsContact C-N 3.27Å; C107-N109 PolarHBondContact O-N 3.45Å |
| 108 | K | 91.4 | Very high | 90.6 | Very high | 150 Ų | 150 | 62.5 Ų | 62.5 | 65% | 0.652 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | 0.1 | 175.9 | -70.4 | 169.5 | -174.2 | 166.5 | 0 | 113.7 | D104 R105 I106 E110 | D104-K108 WeakPolarHBondContact O-CB 3.43Å; D104-K108 VanDerWaalsContact O-CG 3.26Å; D104-K108 WeakPolarHBondContact O-CG 3.46Å; D104-K108 PolarHBondContact O-N 3.32Å; R105-K108 PolarHBondContact O-N 2.75Å; I106-K108 VanDerWaalsContact C-N 3.32Å; I106-K108 PolarHBondContact O-N 3.02Å; K108-E110 PolarHBondContact O-N 2.82Å |
| 109 | N | 89.2 | Confident | 90.8 | Very high | 52 Ų | 52 | 63.5 Ų | 63.5 | 28% | 0.278 | 32% | 0.316 | S | S | . | . | trans | -74.5 | 112.8 | 178.9 | 177.8 | 80.3 | 0 | 0 | 0 | 111 | R105 I106 C107 D111 K114 F116 | R105-N109 PolarHBondContact O-N 2.7Å; I106-N109 WeakPolarHBondContact O-CB 3.39Å; I106-N109 PolarHBondContact O-N 3.41Å; C107-N109 VanDerWaalsContact C-N 3.27Å; C107-N109 PolarHBondContact O-N 3.45Å; N109-D111 PolarHBondContact ND2-N 2.99Å; N109-D111 PolarHBondContact ND2-O 2.98Å; N109-K114 PolarHBondContact ND2-O 3.23Å; N109-F116 HydrophobicContact CB-CE2 3.63Å; N109-F116 HydrophobicContact CB-CZ 4.32Å; N109-F116 VanDerWaalsContact CG-CE2 3.5Å | ||
| 110 | E | 86.7 | Confident | 90.9 | Very high | 187 Ų | 187 | 63.5 Ų | 63.5 | 87% | 0.874 | 32% | 0.316 | S | S | * | . | trans | -90.5 | -6.6 | 177.1 | -63.1 | 178.6 | 173.9 | 0 | 0 | 113.1 | K108 P112 | K108-E110 PolarHBondContact O-N 2.82Å; E110-P112 VanDerWaalsContact O-CD 3.29Å; E110-P112 WeakPolarHBondContact O-CD 3.49Å | ||
| 111 | D | 88 | Confident | 91 | Very high | 50 Ų | 50 | 61 Ų | 61 | 27% | 0.267 | 31% | 0.305 | S | S | . | . | trans | -81.6 | 110 | -177.3 | -173.7 | -14 | 0 | 0 | 0 | 111 | N109 D113 K114 | N109-D111 PolarHBondContact ND2-N 2.99Å; N109-D111 PolarHBondContact ND2-O 2.98Å; D111-D113 PolarHBondContact O-N 2.81Å; D111-D113 WeakPolarHBondContact OD1-CB 3.41Å; D111-D113 PolarHBondContact OD1-N 2.81Å; D111-K114 HydrophobicContact CB-CB 4.27Å; D111-K114 HydrophobicContact CB-CD 4.32Å; D111-K114 HydrophobicContact CB-CG 4.27Å; D111-K114 PolarHBondContact O-N 2.91Å; D111-K114 WeakPolarHBondContact OD2-CD 3.49Å; D111-K114 WeakPolarHBondContact OD2-CE 3.28Å; D111-K114 WeakPolarHBondContact OD2-CG 3.37Å; D111-K114 IonicContact OD2-NZ 3.98Å; D111-K114 PolarHBondContact OD2-NZ 3.24Å | ||
| 112 | P | 82.9 | Confident | 91 | Very high | 107 Ų | 107 | 58.3 Ų | 58.3 | 70% | 0.695 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -19.8 | -177.8 | 30.2 | -35.8 | 0 | 0 | 0 | 113.2 | E110 K114 | E110-P112 VanDerWaalsContact O-CD 3.29Å; E110-P112 WeakPolarHBondContact O-CD 3.49Å; P112-K114 PolarHBondContact O-N 3.28Å |
| 113 | D | 85.4 | Confident | 90.9 | Very high | 74 Ų | 74 | 58.8 Ų | 58.8 | 40% | 0.396 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -0.1 | 178.7 | -64.5 | -33.6 | 0 | 0 | 0 | 112.2 | D111 I207 G208 S209 | D111-D113 PolarHBondContact O-N 2.81Å; D111-D113 WeakPolarHBondContact OD1-CB 3.41Å; D111-D113 PolarHBondContact OD1-N 2.81Å; D113-I207 WeakPolarHBondContact O-CA 3.46Å; D113-G208 PolarHBondContact O-N 2.9Å; D113-S209 VanDerWaalsContact OD1-CB 3.28Å; D113-S209 WeakPolarHBondContact OD1-CB 3.47Å |
| 114 | K | 88.1 | Confident | 90.6 | Very high | 76 Ų | 76 | 58.3 Ų | 58.3 | 33% | 0.33 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 112.5 | 175.4 | -68.6 | -172.1 | -176.3 | 110.1 | 0 | 111.4 | N109 D111 P112 F116 L206 I207 | N109-K114 PolarHBondContact ND2-O 3.23Å; D111-K114 HydrophobicContact CB-CB 4.27Å; D111-K114 HydrophobicContact CB-CD 4.32Å; D111-K114 HydrophobicContact CB-CG 4.27Å; D111-K114 PolarHBondContact O-N 2.91Å; D111-K114 WeakPolarHBondContact OD2-CD 3.49Å; D111-K114 WeakPolarHBondContact OD2-CE 3.28Å; D111-K114 WeakPolarHBondContact OD2-CG 3.37Å; D111-K114 IonicContact OD2-NZ 3.98Å; D111-K114 PolarHBondContact OD2-NZ 3.24Å; P112-K114 PolarHBondContact O-N 3.28Å; K114-F116 HydrophobicContact CB-CE2 4.32Å; K114-F116 HydrophobicContact CB-CZ 4.09Å; K114-L206 WeakPolarHBondContact CA-O 3.38Å; K114-I207 HydrophobicContact CG-CG1 4.43Å |
| 115 | K | 88.7 | Confident | 90.4 | Very high | 103 Ų | 103 | 55.1 Ų | 55.1 | 45% | 0.448 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 147.5 | 171.5 | -64.8 | 177.3 | -178.5 | 173.8 | 0 | 110.9 | L206 | K115-L206 HydrophobicContact CB-CB 4.13Å; K115-L206 HydrophobicContact CB-CD1 4.32Å; K115-L206 PolarHBondContact N-O 3.26Å; K115-L206 PolarHBondContact O-N 2.89Å |
| 116 | F | 93.1 | Very high | 89.8 | Confident | 40 Ų | 40 | 53 Ų | 53 | 18% | 0.175 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 137 | -175.6 | -59.4 | -72.2 | 0 | 0 | 0 | 111.1 | F64 I106 N109 K114 F203 D204 Q205 | F64-F116 HydrophobicContact CE1-CE1 4.29Å; I106-F116 HydrophobicContact CB-CD2 4.33Å; I106-F116 HydrophobicContact CD1-CB 4.13Å; I106-F116 HydrophobicContact CG1-CB 4.03Å; I106-F116 HydrophobicContact CG1-CD1 4.45Å; I106-F116 HydrophobicContact CG1-CD2 4.12Å; I106-F116 HydrophobicContact CG1-CG 3.93Å; I106-F116 HydrophobicContact CG2-CB 4.05Å; I106-F116 HydrophobicContact CG2-CD2 3.88Å; I106-F116 HydrophobicContact CG2-CG 4.23Å; N109-F116 HydrophobicContact CB-CE2 3.63Å; N109-F116 HydrophobicContact CB-CZ 4.32Å; N109-F116 VanDerWaalsContact CG-CE2 3.5Å; K114-F116 HydrophobicContact CB-CE2 4.32Å; K114-F116 HydrophobicContact CB-CZ 4.09Å; F116-F203 HydrophobicContact CB-CE2 3.97Å; F116-F203 AromaticContact CD1-CE2 3.47Å; F116-F203 HydrophobicContact CD1-CE2 3.47Å; F116-F203 VanDerWaalsContact CD1-CE2 3.47Å; F116-F203 AromaticContact CD1-CZ 3.42Å; F116-F203 HydrophobicContact CD1-CZ 3.42Å; F116-F203 VanDerWaalsContact CD1-CZ 3.42Å; F116-F203 HydrophobicContact CE1-CE2 4.35Å; F116-F203 AromaticContact CE1-CZ 3.86Å; F116-F203 HydrophobicContact CE1-CZ 3.86Å; F116-F203 HydrophobicContact CG-CE2 4.04Å; F116-F203 HydrophobicContact CG-CZ 4.35Å; F116-D204 WeakPolarHBondContact CA-O 3.3Å; F116-Q205 HydrophobicContact CD1-CB 4.31Å; F116-Q205 HydrophobicContact CD1-CG 3.87Å; F116-Q205 HydrophobicContact CE1-CB 4.24Å; F116-Q205 HydrophobicContact CE1-CG 3.81Å |
| 117 | Q | 93.5 | Very high | 88.9 | Confident | 12 Ų | 12 | 55.7 Ų | 55.7 | 6% | 0.056 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 127.2 | 175.1 | -65.5 | -179.1 | -27.4 | 0 | 0 | 109 | D204 L206 F382 | Q117-D204 HydrophobicContact CB-CB 4.17Å; Q117-D204 PolarHBondContact N-O 2.67Å; Q117-D204 PolarHBondContact O-N 3.01Å; Q117-L206 HydrophobicContact CG-CD1 4.46Å; Q117-F382 HydrophobicContact CB-CD1 4.39Å; Q117-F382 HydrophobicContact CB-CD2 4.04Å; Q117-F382 HydrophobicContact CB-CE1 4.12Å; Q117-F382 HydrophobicContact CB-CE2 3.75Å; Q117-F382 HydrophobicContact CB-CG 4.36Å; Q117-F382 HydrophobicContact CB-CZ 3.8Å; Q117-F382 HydrophobicContact CG-CD1 3.83Å; Q117-F382 HydrophobicContact CG-CD2 4.2Å; Q117-F382 HydrophobicContact CG-CE1 3.88Å; Q117-F382 HydrophobicContact CG-CE2 4.24Å; Q117-F382 HydrophobicContact CG-CG 4.01Å; Q117-F382 HydrophobicContact CG-CZ 4.1Å |
| 118 | V | 95.1 | Very high | 88.7 | Confident | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.018 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 129.8 | 178.8 | -172.7 | 0 | 0 | 0 | 0 | 108.9 | L102 F103 I106 P163 V164 I201 T202 F203 | L102-V118 HydrophobicContact CD2-CG1 4.5Å; L102-V118 HydrophobicContact CD2-CG2 4.39Å; F103-V118 HydrophobicContact CE1-CB 4.5Å; F103-V118 HydrophobicContact CE1-CG2 4.08Å; F103-V118 HydrophobicContact CZ-CB 4.01Å; F103-V118 HydrophobicContact CZ-CG1 4.19Å; F103-V118 HydrophobicContact CZ-CG2 3.95Å; I106-V118 HydrophobicContact CD1-CG2 3.9Å; V118-P163 WeakPolarHBondContact O-CA 3.48Å; V118-V164 HydrophobicContact CB-CG2 3.94Å; V118-V164 HydrophobicContact CG1-CG2 3.6Å; V118-V164 PolarHBondContact O-N 3.3Å; V118-I201 HydrophobicContact CG1-CG2 3.63Å; V118-T202 WeakPolarHBondContact CA-O 3.37Å; V118-F203 HydrophobicContact CG2-CD2 3.91Å; V118-F203 HydrophobicContact CG2-CE2 4.49Å |
| 119 | T | 94.9 | Very high | 88.3 | Confident | 22 Ų | 22 | 49.1 Ų | 49.1 | 14% | 0.135 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 144.6 | 171.7 | 59.8 | 0 | 0 | 0 | 0 | 110.7 | V162 P163 I201 T202 F382 | T119-V162 CarbonylContact C-O 3.54Å; T119-V162 WeakPolarHBondContact CA-O 3.35Å; T119-P163 HydrophobicContact CG2-CB 4.37Å; T119-I201 CarbonylContact O-C 3.57Å; T119-I201 WeakPolarHBondContact O-CA 3.28Å; T119-T202 PolarHBondContact N-O 2.94Å; T119-T202 PolarHBondContact O-N 3.2Å; T119-T202 WeakPolarHBondContact OG1-CB 3.4Å; T119-F382 HydrophobicContact CG2-CD2 4.15Å; T119-F382 HydrophobicContact CG2-CE2 3.69Å |
| 120 | L | 94.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 135.7 | -177.9 | -173.7 | 72.7 | 0 | 0 | 0 | 109.8 | L134 V162 V164 I170 R173 I199 T200 I201 | L120-L134 HydrophobicContact CG-CD1 4.46Å; L120-V162 PolarHBondContact N-O 3.43Å; L120-V162 PolarHBondContact O-N 3.46Å; L120-V164 HydrophobicContact CB-CG1 4.26Å; L120-V164 HydrophobicContact CB-CG2 4.43Å; L120-I170 HydrophobicContact CD1-CG2 4.37Å; L120-I170 HydrophobicContact CD2-CG2 4.2Å; L120-R173 HydrophobicContact CD2-CB 3.69Å; L120-I199 HydrophobicContact CD1-CG2 3.6Å; L120-T200 WeakPolarHBondContact CA-O 3.45Å; L120-I201 HydrophobicContact CD1-CG1 3.85Å |
| 121 | T | 93.4 | Very high | 88.2 | Confident | 9 Ų | 9 | 42.2 Ų | 42.2 | 6% | 0.055 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 149.7 | 161.6 | 70.2 | 0 | 0 | 0 | 0 | 109 | L159 Q161 I199 T200 | T121-L159 HydrophobicContact CG2-CD2 4.16Å; T121-L159 HydrophobicContact CG2-CG 4.41Å; T121-Q161 HydrophobicContact CG2-CB 4.28Å; T121-Q161 HydrophobicContact CG2-CG 3.6Å; T121-I199 WeakPolarHBondContact O-CA 3.44Å; T121-T200 PolarHBondContact N-O 2.78Å; T121-T200 PolarHBondContact O-N 2.98Å; T121-T200 VanDerWaalsContact OG1-CB 3.23Å; T121-T200 WeakPolarHBondContact OG1-CB 3.42Å |
| 122 | M | 91.9 | Very high | 88.2 | Confident | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 122.2 | 174.2 | -172.4 | -177.5 | -175.5 | 0 | 0 | 108.2 | L133 L134 T197 I198 I199 | M122-L133 HydrophobicContact CB-CB 4.24Å; M122-L133 HydrophobicContact CE-CD1 3.85Å; M122-L133 HydrophobicContact CG-CB 3.94Å; M122-L133 HydrophobicContact CG-CD1 3.79Å; M122-L133 HydrophobicContact CG-CG 4.43Å; M122-L133 WeakPolarHBondContact O-CB 3.44Å; M122-L133 PolarHBondContact O-N 2.9Å; M122-L133 HydrophobicContact SD-CB 4.2Å; M122-L133 HydrophobicContact SD-CD1 4.18Å; M122-L134 HydrophobicContact CB-CD1 4.08Å; M122-L134 HydrophobicContact CB-CD2 3.99Å; M122-L134 HydrophobicContact CB-CG 3.85Å; M122-T197 HydrophobicContact CE-CG2 3.98Å; M122-I198 WeakPolarHBondContact CA-O 3.36Å; M122-I199 HydrophobicContact CB-CG1 4.47Å; M122-I199 HydrophobicContact CE-CD1 4.46Å; M122-I199 HydrophobicContact CE-CG1 4.48Å; M122-I199 HydrophobicContact CG-CG1 3.88Å |
| 123 | M | 91.5 | Very high | 88.4 | Confident | 9 Ų | 9 | 35.7 Ų | 35.7 | 4% | 0.044 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 155.6 | 179.2 | 63 | 179.7 | 167.9 | 0 | 0 | 111.2 | I130 R131 V156 L159 I198 L279 | M123-I130 HydrophobicContact SD-CG2 4.07Å; M123-R131 VanDerWaalsContact CA-O 3.23Å; M123-R131 WeakPolarHBondContact CA-O 2.89Å; M123-R131 VanDerWaalsContact CB-O 3.29Å; M123-R131 WeakPolarHBondContact CB-O 3.45Å; M123-V156 HydrophobicContact CE-CG2 4.32Å; M123-V156 HydrophobicContact SD-CG2 3.82Å; M123-L159 HydrophobicContact CB-CD1 3.94Å; M123-L159 HydrophobicContact SD-CD2 3.95Å; M123-I198 HydrophobicContact CE-CB 3.77Å; M123-I198 HydrophobicContact CE-CD1 3.76Å; M123-I198 HydrophobicContact CE-CG1 4.36Å; M123-I198 HydrophobicContact CE-CG2 3.61Å; M123-I198 HydrophobicContact CG-CB 3.94Å; M123-I198 PolarHBondContact N-O 2.87Å; M123-I198 PolarHBondContact O-N 3.45Å; M123-L279 HydrophobicContact CE-CD1 3.76Å; M123-L279 HydrophobicContact SD-CD1 4.42Å |
| 124 | E | 88.2 | Confident | 88.5 | Confident | 3 Ų | 3 | 32.4 Ų | 32.4 | 1% | 0.014 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 141.8 | 168.7 | 63.5 | 177.8 | -164.5 | 0 | 0 | 110.6 | R131 L133 A195 H196 | E124-R131 HydrophobicContact CG-CB 3.72Å; E124-R131 PolarHBondContact N-O 2.69Å; E124-R131 PolarHBondContact O-N 2.85Å; E124-R131 WeakPolarHBondContact OE1-CD 3.39Å; E124-R131 IonicContact OE1-NE 2.81Å; E124-R131 IonicContact OE1-NH1 3.47Å; E124-R131 PolarHBondContact OE1-NH1 2.81Å; E124-L133 HydrophobicContact CB-CD1 4.1Å; E124-L133 HydrophobicContact CB-CD2 4.4Å; E124-L133 HydrophobicContact CB-CG 4.39Å; E124-L133 HydrophobicContact CG-CD1 4.48Å; E124-L133 HydrophobicContact CG-CD2 3.9Å; E124-L133 HydrophobicContact CG-CG 4.27Å; E124-A195 HydrophobicContact CB-CB 4.39Å; E124-H196 CarbonylContact C-O 3.22Å; E124-H196 VanDerWaalsContact CA-O 3.31Å; E124-H196 WeakPolarHBondContact CA-O 3.41Å |
| 125 | I | 87.5 | Confident | 88.1 | Confident | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 114.2 | 168.7 | -55.2 | 167.6 | 0 | 0 | 0 | 107.5 | Q129 A195 H196 I198 I275 L276 L279 | I125-Q129 WeakPolarHBondContact CA-O 3.35Å; I125-A195 CarbonylContact O-C 3.6Å; I125-A195 VanDerWaalsContact O-CA 3.3Å; I125-A195 WeakPolarHBondContact O-CA 3.43Å; I125-H196 HydrophobicContact CB-CB 4.24Å; I125-H196 PolarHBondContact N-O 3.44Å; I125-H196 PolarHBondContact O-N 2.78Å; I125-I198 HydrophobicContact CD1-CD1 3.54Å; I125-I198 HydrophobicContact CG1-CD1 4.4Å; I125-I275 HydrophobicContact CD1-CG2 3.88Å; I125-I275 HydrophobicContact CG1-CG2 4.2Å; I125-I275 HydrophobicContact CG2-CB 4.48Å; I125-I275 HydrophobicContact CG2-CG2 4.07Å; I125-L276 HydrophobicContact CD1-CB 4.38Å; I125-L276 HydrophobicContact CD1-CD1 4.12Å; I125-L279 HydrophobicContact CD1-CD1 3.74Å |
| 126 | Y | 80.8 | Confident | 87.1 | Confident | 75 Ų | 75 | 29.7 Ų | 29.7 | 29% | 0.294 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 130 | 176.8 | 179.6 | -102.9 | 0 | 0 | 0 | 109.3 | E128 Q129 T191 R194 A195 | Y126-E128 VanDerWaalsContact C-N 3.3Å; Y126-E128 PolarHBondContact O-N 3.28Å; Y126-Q129 PolarHBondContact N-O 3.33Å; Y126-Q129 WeakPolarHBondContact O-CB 3.28Å; Y126-Q129 PolarHBondContact O-N 3.33Å; Y126-T191 HydrophobicContact CD2-CG2 4.17Å; Y126-T191 HydrophobicContact CG-CG2 4.16Å; Y126-R194 HydrophobicContact CD2-CB 4.15Å; Y126-R194 HydrophobicContact CE2-CB 3.76Å; Y126-A195 HydrophobicContact CD2-CB 4.13Å; Y126-A195 HydrophobicContact CG-CB 4.46Å |
| 127 | N | 73.9 | Confident | 85.7 | Confident | 86 Ų | 86 | 31.7 Ų | 31.7 | 46% | 0.46 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 45 | -178.6 | -165.6 | 22.3 | 0 | 0 | 0 | 114 | Q129 | N127-Q129 PolarHBondContact O-N 3.42Å; N127-Q129 VanDerWaalsContact O-N 3.11Å |
| 128 | E | 83.9 | Confident | 84 | Confident | 34 Ų | 34 | 39.4 Ų | 39.4 | 16% | 0.159 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 29.6 | -175.4 | -59.9 | -67.7 | 124.4 | 0 | 0 | 113.7 | Y126 S274 I275 | Y126-E128 VanDerWaalsContact C-N 3.3Å; Y126-E128 PolarHBondContact O-N 3.28Å; E128-S274 WeakPolarHBondContact OE2-CA 3.28Å; E128-I275 HydrophobicContact CB-CD1 4.29Å; E128-I275 WeakPolarHBondContact O-CD1 3.46Å; E128-I275 WeakPolarHBondContact OE2-CG1 3.23Å; E128-I275 PolarHBondContact OE2-N 3.12Å |
| 129 | Q | 83.5 | Confident | 81.9 | Confident | 85 Ų | 85 | 43.9 Ų | 43.9 | 40% | 0.397 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 143.6 | 168.6 | -54.1 | -66 | -74.7 | 0 | 0 | 109.2 | I125 Y126 N127 N143 | I125-Q129 WeakPolarHBondContact CA-O 3.35Å; Y126-Q129 PolarHBondContact N-O 3.33Å; Y126-Q129 WeakPolarHBondContact O-CB 3.28Å; Y126-Q129 PolarHBondContact O-N 3.33Å; N127-Q129 PolarHBondContact O-N 3.42Å; N127-Q129 VanDerWaalsContact O-N 3.11Å; Q129-N143 VanDerWaalsContact CA-OD1 3.31Å; Q129-N143 WeakPolarHBondContact CA-OD1 3.38Å; Q129-N143 HydrophobicContact CB-CB 4.49Å; Q129-N143 VanDerWaalsContact CD-ND2 3.32Å; Q129-N143 PolarHBondContact NE2-ND2 3.46Å; Q129-N143 PolarHBondContact OE1-ND2 3.24Å |
| 130 | I | 88.1 | Confident | 79.9 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 132 | -179.5 | -52.4 | 171.7 | 0 | 0 | 0 | 108.9 | M123 N143 L144 I146 V156 I275 | M123-I130 HydrophobicContact SD-CG2 4.07Å; I130-N143 PolarHBondContact N-OD1 2.79Å; I130-L144 HydrophobicContact CB-CB 4.01Å; I130-L144 HydrophobicContact CG2-CB 4.01Å; I130-L144 HydrophobicContact CG2-CD1 4.34Å; I130-L144 PolarHBondContact O-N 2.85Å; I130-I146 HydrophobicContact CD1-CD1 3.59Å; I130-I146 HydrophobicContact CD1-CG1 3.48Å; I130-I146 VanDerWaalsContact CD1-CG1 3.48Å; I130-V156 HydrophobicContact CD1-CG1 4.25Å; I130-V156 HydrophobicContact CD1-CG2 4.01Å; I130-V156 HydrophobicContact CG2-CG1 3.96Å; I130-V156 HydrophobicContact CG2-CG2 4.4Å; I130-I275 HydrophobicContact CD1-CD1 4.28Å; I130-I275 HydrophobicContact CD1-CG2 3.73Å; I130-I275 HydrophobicContact CG1-CD1 4.03Å; I130-I275 HydrophobicContact CG1-CG2 3.69Å |
| 131 | R | 85.4 | Confident | 78.1 | Confident | 95 Ų | 95 | 50.4 Ų | 50.4 | 36% | 0.358 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 140.7 | 174.8 | -64.4 | 166.6 | 175.6 | -176.8 | 1.1 | 110.8 | M123 E124 | M123-R131 VanDerWaalsContact CA-O 3.23Å; M123-R131 WeakPolarHBondContact CA-O 2.89Å; M123-R131 VanDerWaalsContact CB-O 3.29Å; M123-R131 WeakPolarHBondContact CB-O 3.45Å; E124-R131 HydrophobicContact CG-CB 3.72Å; E124-R131 PolarHBondContact N-O 2.69Å; E124-R131 PolarHBondContact O-N 2.85Å; E124-R131 WeakPolarHBondContact OE1-CD 3.39Å; E124-R131 IonicContact OE1-NE 2.81Å; E124-R131 IonicContact OE1-NH1 3.47Å; E124-R131 PolarHBondContact OE1-NH1 2.81Å |
| 132 | D | 89.2 | Confident | 76.8 | Confident | 15 Ų | 15 | 54.4 Ų | 54.4 | 8% | 0.08 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 123.1 | 174.6 | -174 | -20.2 | 0 | 0 | 0 | 110.3 | L134 T135 L144 L159 S160 | D132-L134 WeakPolarHBondContact OD1-CA 3.32Å; D132-L134 PolarHBondContact OD1-N 3.13Å; D132-T135 HydrophobicContact CB-CG2 3.93Å; D132-T135 PolarHBondContact OD1-N 2.97Å; D132-T135 VanDerWaalsContact OD1-N 3.16Å; D132-L144 HydrophobicContact CB-CD1 3.96Å; D132-L159 HydrophobicContact CB-CD1 4.02Å; D132-S160 WeakPolarHBondContact OD2-CA 3.28Å; D132-S160 WeakPolarHBondContact OD2-CB 3.11Å; D132-S160 PolarHBondContact OD2-N 3.5Å; D132-S160 PolarHBondContact OD2-OG 3.25Å |
| 133 | L | 87.1 | Confident | 76.2 | Confident | 5 Ų | 5 | 56.5 Ų | 56.5 | 3% | 0.026 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -87 | -11.9 | -180 | -63.8 | 179 | 0 | 0 | 0 | 112.7 | M122 E124 R180 R181 | M122-L133 HydrophobicContact CB-CB 4.24Å; M122-L133 HydrophobicContact CE-CD1 3.85Å; M122-L133 HydrophobicContact CG-CB 3.94Å; M122-L133 HydrophobicContact CG-CD1 3.79Å; M122-L133 HydrophobicContact CG-CG 4.43Å; M122-L133 WeakPolarHBondContact O-CB 3.44Å; M122-L133 PolarHBondContact O-N 2.9Å; M122-L133 HydrophobicContact SD-CB 4.2Å; M122-L133 HydrophobicContact SD-CD1 4.18Å; E124-L133 HydrophobicContact CB-CD1 4.1Å; E124-L133 HydrophobicContact CB-CD2 4.4Å; E124-L133 HydrophobicContact CB-CG 4.39Å; E124-L133 HydrophobicContact CG-CD1 4.48Å; E124-L133 HydrophobicContact CG-CD2 3.9Å; E124-L133 HydrophobicContact CG-CG 4.27Å; L133-R180 WeakPolarHBondContact O-CD 3.43Å; L133-R180 PolarHBondContact O-NH1 2.81Å; L133-R181 HydrophobicContact CD1-CG 3.76Å; L133-R181 HydrophobicContact CD2-CG 3.7Å; L133-R181 HydrophobicContact CG-CG 4.4Å |
| 134 | L | 87.5 | Confident | 76 | Confident | 5 Ų | 5 | 57.2 Ų | 57.2 | 3% | 0.026 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -102.4 | -17.4 | -177.4 | -56.3 | -177.7 | 0 | 0 | 0 | 114.5 | L120 M122 D132 V162 R173 R180 | L120-L134 HydrophobicContact CG-CD1 4.46Å; M122-L134 HydrophobicContact CB-CD1 4.08Å; M122-L134 HydrophobicContact CB-CD2 3.99Å; M122-L134 HydrophobicContact CB-CG 3.85Å; D132-L134 WeakPolarHBondContact OD1-CA 3.32Å; D132-L134 PolarHBondContact OD1-N 3.13Å; L134-V162 HydrophobicContact CB-CG2 4.1Å; L134-V162 HydrophobicContact CD1-CB 4.29Å; L134-V162 HydrophobicContact CD1-CG2 3.8Å; L134-R173 HydrophobicContact CD2-CB 4.2Å; L134-R173 WeakPolarHBondContact CD2-O 3.38Å; L134-R180 PolarHBondContact O-NH1 3.09Å |
| 135 | T | 79.7 | Confident | 76 | Confident | 26 Ų | 26 | 61.7 Ų | 61.7 | 16% | 0.16 | 31% | 0.307 | C | S | . | . | trans | -66.2 | 136.2 | -177.3 | -176.9 | 0 | 0 | 0 | 0 | 115.1 | D132 D137 S140 R180 | D132-T135 HydrophobicContact CB-CG2 3.93Å; D132-T135 PolarHBondContact OD1-N 2.97Å; D132-T135 VanDerWaalsContact OD1-N 3.16Å; T135-D137 PolarHBondContact OG1-N 3.49Å; T135-S140 PolarHBondContact OG1-OG 3.46Å; T135-R180 PolarHBondContact O-NH1 3.41Å; T135-R180 PolarHBondContact O-NH2 3.43Å | ||
| 136 | R | 66.9 | Low | 76.1 | Confident | 96 Ų | 96 | 63 Ų | 63 | 36% | 0.362 | 31% | 0.314 | S | S | . | . | trans | -68.6 | -33.6 | 177 | -78.8 | -177.5 | 171.6 | -149.4 | -8.4 | 114.1 | K138 E392 | R136-K138 PolarHBondContact O-N 3.09Å; R136-E392 PolarHBondContact NH2-O 2.98Å | ||
| 137 | D | 63.6 | Low | 76.6 | Confident | 81 Ų | 81 | 65.1 Ų | 65.1 | 43% | 0.433 | 32% | 0.321 | S | S | . | . | trans | -87.3 | 111.5 | -160.4 | -170 | -2.1 | 0 | 0 | 0 | 111.5 | T135 S139 S140 | T135-D137 PolarHBondContact OG1-N 3.49Å; D137-S139 PolarHBondContact O-N 3.12Å; D137-S139 WeakPolarHBondContact OD1-CA 3.38Å; D137-S139 VanDerWaalsContact OD1-CB 3.3Å; D137-S139 WeakPolarHBondContact OD1-CB 3.42Å; D137-S139 PolarHBondContact OD1-N 3.34Å; D137-S139 PolarHBondContact OD1-OG 2.89Å; D137-S139 PolarHBondContact OD2-OG 3.22Å; D137-S140 WeakPolarHBondContact CB-OG 3.31Å; D137-S140 PolarHBondContact O-N 2.57Å; D137-S140 VanDerWaalsContact O-N 3.12Å; D137-S140 PolarHBondContact O-OG 2.94Å | ||
| 138 | K | 57.1 | Low | 77.3 | Confident | 174 Ų | 174 | 65.9 Ų | 65.9 | 76% | 0.757 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -61.6 | -28 | 173.6 | -69.7 | -172.8 | 179.6 | -176.6 | 0 | 111.2 | R136 S140 Q141 | R136-K138 PolarHBondContact O-N 3.09Å; K138-S140 VanDerWaalsContact C-N 3.34Å; K138-Q141 WeakPolarHBondContact O-CB 3.39Å; K138-Q141 PolarHBondContact O-N 3.45Å |
| 139 | S | 52.6 | Low | 77.1 | Confident | 97 Ų | 97 | 65.8 Ų | 65.8 | 68% | 0.678 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -76.2 | -22.5 | 177.3 | 78.5 | 0 | 0 | 0 | 0 | 112.8 | D137 Q141 | D137-S139 PolarHBondContact O-N 3.12Å; D137-S139 WeakPolarHBondContact OD1-CA 3.38Å; D137-S139 VanDerWaalsContact OD1-CB 3.3Å; D137-S139 WeakPolarHBondContact OD1-CB 3.42Å; D137-S139 PolarHBondContact OD1-N 3.34Å; D137-S139 PolarHBondContact OD1-OG 2.89Å; D137-S139 PolarHBondContact OD2-OG 3.22Å; S139-Q141 VanDerWaalsContact C-N 3.29Å; S139-Q141 PolarHBondContact O-N 2.92Å |
| 140 | S | 52.6 | Low | 76.6 | Confident | 46 Ų | 46 | 68.6 Ų | 68.6 | 32% | 0.322 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -84.2 | 5.2 | 173.2 | 77 | 0 | 0 | 0 | 0 | 114.1 | T135 D137 K138 T142 | T135-S140 PolarHBondContact OG1-OG 3.46Å; D137-S140 WeakPolarHBondContact CB-OG 3.31Å; D137-S140 PolarHBondContact O-N 2.57Å; D137-S140 VanDerWaalsContact O-N 3.12Å; D137-S140 PolarHBondContact O-OG 2.94Å; K138-S140 VanDerWaalsContact C-N 3.34Å; S140-T142 PolarHBondContact O-N 3.37Å |
| 141 | Q | 56.6 | Low | 75.8 | Confident | 114 Ų | 114 | 73.4 Ų | 73.4 | 53% | 0.533 | 39% | 0.391 | S | S | . | . | trans | -73 | 46.8 | 176.7 | -69.6 | -163.4 | -34.8 | 0 | 0 | 113 | K138 S139 | K138-Q141 WeakPolarHBondContact O-CB 3.39Å; K138-Q141 PolarHBondContact O-N 3.45Å; S139-Q141 VanDerWaalsContact C-N 3.29Å; S139-Q141 PolarHBondContact O-N 2.92Å | ||
| 142 | T | 65.2 | Low | 75.2 | Confident | 92 Ų | 92 | 74.5 Ų | 74.5 | 56% | 0.564 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -84.5 | 153.8 | 168 | 60.6 | 0 | 0 | 0 | 0 | 109.5 | S140 L144 | S140-T142 PolarHBondContact O-N 3.37Å; T142-L144 PolarHBondContact O-N 2.86Å; T142-L144 VanDerWaalsContact O-N 3.15Å |
| 143 | N | 80.1 | Confident | 74.9 | Confident | 47 Ų | 47 | 74.3 Ų | 74.3 | 25% | 0.251 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 116.2 | 171.1 | 175.4 | 32.3 | 0 | 0 | 0 | 110.5 | Q129 I130 | Q129-N143 VanDerWaalsContact CA-OD1 3.31Å; Q129-N143 WeakPolarHBondContact CA-OD1 3.38Å; Q129-N143 HydrophobicContact CB-CB 4.49Å; Q129-N143 VanDerWaalsContact CD-ND2 3.32Å; Q129-N143 PolarHBondContact NE2-ND2 3.46Å; Q129-N143 PolarHBondContact OE1-ND2 3.24Å; I130-N143 PolarHBondContact N-OD1 2.79Å |
| 144 | L | 87.7 | Confident | 75 | Confident | 23 Ų | 23 | 75.1 Ų | 75.1 | 12% | 0.12 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 148.5 | 178.6 | -62.4 | -178.2 | 0 | 0 | 0 | 111.4 | I130 D132 T142 V156 L159 | I130-L144 HydrophobicContact CB-CB 4.01Å; I130-L144 HydrophobicContact CG2-CB 4.01Å; I130-L144 HydrophobicContact CG2-CD1 4.34Å; I130-L144 PolarHBondContact O-N 2.85Å; D132-L144 HydrophobicContact CB-CD1 3.96Å; T142-L144 PolarHBondContact O-N 2.86Å; T142-L144 VanDerWaalsContact O-N 3.15Å; L144-V156 HydrophobicContact CB-CG1 3.57Å; L144-V156 HydrophobicContact CD1-CG1 3.72Å; L144-V156 HydrophobicContact CG-CG1 4.31Å; L144-L159 HydrophobicContact CD1-CB 4.31Å; L144-L159 HydrophobicContact CD1-CD1 4.11Å |
| 145 | Q | 87.1 | Confident | 75.1 | Confident | 97 Ų | 97 | 78.8 Ų | 78.8 | 45% | 0.453 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 138.9 | -175.5 | -63.2 | -63 | -40.6 | 0 | 0 | 111.7 | Q157 | Q145-Q157 PolarHBondContact O-N 3.4Å |
| 146 | I | 90.8 | Very high | 75.7 | Confident | 30 Ų | 30 | 78.3 Ų | 78.3 | 15% | 0.154 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 134.9 | 170.2 | -77.6 | 167.8 | 0 | 0 | 0 | 110.4 | I130 F154 Y155 V156 I275 K278 L279 | I130-I146 HydrophobicContact CD1-CD1 3.59Å; I130-I146 HydrophobicContact CD1-CG1 3.48Å; I130-I146 VanDerWaalsContact CD1-CG1 3.48Å; I146-F154 HydrophobicContact CG2-CB 4.2Å; I146-F154 HydrophobicContact CG2-CD1 3.7Å; I146-F154 HydrophobicContact CG2-CG 4.37Å; I146-Y155 WeakPolarHBondContact CA-O 3.25Å; I146-V156 HydrophobicContact CG1-CG2 4.25Å; I146-I275 HydrophobicContact CD1-CB 3.87Å; I146-I275 HydrophobicContact CD1-CG1 3.94Å; I146-I275 HydrophobicContact CD1-CG2 3.31Å; I146-K278 HydrophobicContact CG2-CD 4.19Å; I146-L279 HydrophobicContact CD1-CD1 4.12Å; I146-L279 HydrophobicContact CD1-CD2 4.21Å; I146-L279 HydrophobicContact CD1-CG 3.98Å; I146-L279 HydrophobicContact CG1-CD2 4.38Å |
| 147 | R | 91.1 | Very high | 76.7 | Confident | 119 Ų | 119 | 78.4 Ų | 78.4 | 45% | 0.449 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 164.9 | 171.8 | -61.7 | -60.8 | -179.1 | -150.6 | 4.3 | 109.9 | F154 Y155 Q157 | R147-F154 CarbonylContact O-C 3.59Å; R147-F154 VanDerWaalsContact O-CA 3.28Å; R147-F154 WeakPolarHBondContact O-CA 3.37Å; R147-Y155 HydrophobicContact CB-CD1 4.21Å; R147-Y155 HydrophobicContact CB-CE1 3.59Å; R147-Y155 HydrophobicContact CB-CE2 4.04Å; R147-Y155 VanDerWaalsContact CB-CZ 3.5Å; R147-Y155 PolarHBondContact N-O 3.08Å; R147-Y155 PolarHBondContact O-N 3.27Å; R147-Q157 HydrophobicContact CG-CB 4.06Å |
| 148 | Q | 87.6 | Confident | 77.8 | Confident | 102 Ų | 102 | 77.6 Ų | 77.6 | 48% | 0.477 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 129.2 | 177.7 | -170.9 | 176.5 | 2.9 | 0 | 0 | 109.1 | F154 | Q148-F154 HydrophobicContact CB-CD1 3.85Å; Q148-F154 HydrophobicContact CB-CE1 3.82Å; Q148-F154 HydrophobicContact CG-CD1 4.1Å; Q148-F154 HydrophobicContact CG-CE1 3.96Å; Q148-F154 HydrophobicContact CG-CZ 4.24Å |
| 149 | S | 80 | Confident | 79.4 | Confident | 33 Ų | 33 | 70.5 Ų | 70.5 | 23% | 0.231 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 139.4 | 172.1 | 167.1 | 0 | 0 | 0 | 0 | 109.4 | A151 Q152 G153 | S149-A151 PolarHBondContact O-N 3.38Å; S149-A151 PolarHBondContact OG-N 3.03Å; S149-Q152 PolarHBondContact O-N 3.23Å; S149-G153 PolarHBondContact N-O 2.85Å; S149-G153 WeakPolarHBondContact O-CA 3.4Å; S149-G153 PolarHBondContact O-N 2.99Å |
| 150 | P | 73.4 | Confident | 81.2 | Confident | 143 Ų | 143 | 67.5 Ų | 67.5 | 93% | 0.929 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -33.7 | 175.2 | -25.7 | 34.7 | 0 | 0 | 0 | 113.7 | ||
| 151 | A | 71.3 | Confident | 83 | Confident | 102 Ų | 102 | 71.2 Ų | 71.2 | 84% | 0.843 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -31.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S149 | S149-A151 PolarHBondContact O-N 3.38Å; S149-A151 PolarHBondContact OG-N 3.03Å |
| 152 | Q | 72.6 | Confident | 84.7 | Confident | 117 Ų | 117 | 66.3 Ų | 66.3 | 55% | 0.547 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -19.3 | -173.5 | -172.5 | 175.6 | -5.1 | 0 | 0 | 113.1 | S149 N282 | S149-Q152 PolarHBondContact O-N 3.23Å; Q152-N282 PolarHBondContact O-ND2 3.27Å |
| 153 | G | 81.7 | Confident | 86.1 | Confident | 11 Ų | 11 | 62.3 Ų | 62.3 | 11% | 0.113 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 80.5 | -149.2 | -167.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S149 | S149-G153 PolarHBondContact N-O 2.85Å; S149-G153 WeakPolarHBondContact O-CA 3.4Å; S149-G153 PolarHBondContact O-N 2.99Å |
| 154 | F | 90.3 | Very high | 86.7 | Confident | 23 Ų | 23 | 60.2 Ų | 60.2 | 10% | 0.101 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 135.8 | 176.2 | -66.5 | -79.9 | 0 | 0 | 0 | 111.6 | I146 R147 Q148 R272 K278 Q281 | I146-F154 HydrophobicContact CG2-CB 4.2Å; I146-F154 HydrophobicContact CG2-CD1 3.7Å; I146-F154 HydrophobicContact CG2-CG 4.37Å; R147-F154 CarbonylContact O-C 3.59Å; R147-F154 VanDerWaalsContact O-CA 3.28Å; R147-F154 WeakPolarHBondContact O-CA 3.37Å; Q148-F154 HydrophobicContact CB-CD1 3.85Å; Q148-F154 HydrophobicContact CB-CE1 3.82Å; Q148-F154 HydrophobicContact CG-CD1 4.1Å; Q148-F154 HydrophobicContact CG-CE1 3.96Å; Q148-F154 HydrophobicContact CG-CZ 4.24Å; F154-R272 HydrophobicContact CZ-CG 4.25Å; F154-K278 HydrophobicContact CB-CB 4.12Å; F154-K278 WeakPolarHBondContact CB-O 3.32Å; F154-K278 HydrophobicContact CD1-CB 4.06Å; F154-K278 HydrophobicContact CD1-CD 4.24Å; F154-K278 HydrophobicContact CD1-CG 4.22Å; F154-K278 HydrophobicContact CD2-CB 3.89Å; F154-K278 HydrophobicContact CD2-CG 4.33Å; F154-K278 VanDerWaalsContact CD2-O 3.28Å; F154-K278 WeakPolarHBondContact CD2-O 3.24Å; F154-K278 HydrophobicContact CE1-CB 4.46Å; F154-K278 HydrophobicContact CE1-CD 4.13Å; F154-K278 HydrophobicContact CE1-CG 4.15Å; F154-K278 HydrophobicContact CE2-CB 4.31Å; F154-K278 HydrophobicContact CE2-CG 4.26Å; F154-K278 HydrophobicContact CG-CB 3.75Å; F154-K278 HydrophobicContact CG-CG 4.31Å; F154-K278 HydrophobicContact CZ-CG 4.17Å; F154-Q281 HydrophobicContact CD2-CB 4.41Å; F154-Q281 VanDerWaalsContact CD2-OE1 3.26Å |
| 155 | Y | 89.8 | Confident | 86.7 | Confident | 81 Ų | 81 | 60.6 Ų | 60.6 | 32% | 0.318 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 156.9 | 177.5 | 70.7 | -82.4 | 0 | 0 | 0 | 111 | I146 R147 | I146-Y155 WeakPolarHBondContact CA-O 3.25Å; R147-Y155 HydrophobicContact CB-CD1 4.21Å; R147-Y155 HydrophobicContact CB-CE1 3.59Å; R147-Y155 HydrophobicContact CB-CE2 4.04Å; R147-Y155 VanDerWaalsContact CB-CZ 3.5Å; R147-Y155 PolarHBondContact N-O 3.08Å; R147-Y155 PolarHBondContact O-N 3.27Å |
| 156 | V | 91.8 | Very high | 86.7 | Confident | 17 Ų | 17 | 58 Ų | 58 | 10% | 0.103 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 120.6 | 178.9 | -175.6 | 0 | 0 | 0 | 0 | 109.5 | M123 I130 L144 I146 L159 L279 | M123-V156 HydrophobicContact CE-CG2 4.32Å; M123-V156 HydrophobicContact SD-CG2 3.82Å; I130-V156 HydrophobicContact CD1-CG1 4.25Å; I130-V156 HydrophobicContact CD1-CG2 4.01Å; I130-V156 HydrophobicContact CG2-CG1 3.96Å; I130-V156 HydrophobicContact CG2-CG2 4.4Å; L144-V156 HydrophobicContact CB-CG1 3.57Å; L144-V156 HydrophobicContact CD1-CG1 3.72Å; L144-V156 HydrophobicContact CG-CG1 4.31Å; I146-V156 HydrophobicContact CG1-CG2 4.25Å; V156-L159 HydrophobicContact CB-CB 4.07Å; V156-L159 HydrophobicContact CB-CD2 4.29Å; V156-L159 HydrophobicContact CG1-CB 4.02Å; V156-L279 HydrophobicContact CG2-CD1 4.22Å; V156-L279 HydrophobicContact CG2-CD2 3.78Å |
| 157 | Q | 88.6 | Confident | 86.5 | Confident | 98 Ų | 98 | 58 Ų | 58 | 46% | 0.458 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 131.1 | 177.4 | -176.5 | 175.8 | 9.1 | 0 | 0 | 110.1 | Q145 R147 L159 | Q145-Q157 PolarHBondContact O-N 3.4Å; R147-Q157 HydrophobicContact CG-CB 4.06Å; Q157-L159 VanDerWaalsContact C-N 3.33Å |
| 158 | G | 86.8 | Confident | 86.3 | Confident | 63 Ų | 63 | 53.8 Ų | 53.8 | 65% | 0.649 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.8 | 6.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115 | S160 | G158-S160 PolarHBondContact O-N 3.47Š|
| 159 | L | 90.2 | Very high | 86.3 | Confident | 26 Ų | 26 | 50 Ų | 50 | 14% | 0.136 | 31% | 0.311 | C | S | . | . | trans | -69.1 | 127.8 | 175.2 | -176.4 | 64.2 | 0 | 0 | 0 | 111 | T121 M123 D132 L144 V156 Q157 Q161 | T121-L159 HydrophobicContact CG2-CD2 4.16Å; T121-L159 HydrophobicContact CG2-CG 4.41Å; M123-L159 HydrophobicContact CB-CD1 3.94Å; M123-L159 HydrophobicContact SD-CD2 3.95Å; D132-L159 HydrophobicContact CB-CD1 4.02Å; L144-L159 HydrophobicContact CD1-CB 4.31Å; L144-L159 HydrophobicContact CD1-CD1 4.11Å; V156-L159 HydrophobicContact CB-CB 4.07Å; V156-L159 HydrophobicContact CB-CD2 4.29Å; V156-L159 HydrophobicContact CG1-CB 4.02Å; Q157-L159 VanDerWaalsContact C-N 3.33Å; L159-Q161 PolarHBondContact O-N 2.85Å | ||
| 160 | S | 90.2 | Very high | 86.6 | Confident | 34 Ų | 34 | 48.5 Ų | 48.5 | 24% | 0.238 | 30% | 0.3 | C | S | . | . | trans | -64.3 | 123.3 | 178.7 | -58.5 | 0 | 0 | 0 | 0 | 111.1 | D132 G158 | D132-S160 WeakPolarHBondContact OD2-CA 3.28Å; D132-S160 WeakPolarHBondContact OD2-CB 3.11Å; D132-S160 PolarHBondContact OD2-N 3.5Å; D132-S160 PolarHBondContact OD2-OG 3.25Å; G158-S160 PolarHBondContact O-N 3.47Å | ||
| 161 | Q | 91 | Very high | 87.2 | Confident | 124 Ų | 124 | 45.4 Ų | 45.4 | 58% | 0.579 | 27% | 0.273 | S | S | * | . | trans | -107.5 | 109.5 | 172.4 | -66.3 | 178.4 | 33.7 | 0 | 0 | 108.9 | T121 L159 | T121-Q161 HydrophobicContact CG2-CB 4.28Å; T121-Q161 HydrophobicContact CG2-CG 3.6Å; L159-Q161 PolarHBondContact O-N 2.85Å | ||
| 162 | V | 92.3 | Very high | 87.7 | Confident | 11 Ų | 11 | 45.1 Ų | 45.1 | 7% | 0.067 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 117.2 | -174.2 | -178.5 | 0 | 0 | 0 | 0 | 109.5 | T119 L120 L134 R173 A389 | T119-V162 CarbonylContact C-O 3.54Å; T119-V162 WeakPolarHBondContact CA-O 3.35Å; L120-V162 PolarHBondContact N-O 3.43Å; L120-V162 PolarHBondContact O-N 3.46Å; L134-V162 HydrophobicContact CB-CG2 4.1Å; L134-V162 HydrophobicContact CD1-CB 4.29Å; L134-V162 HydrophobicContact CD1-CG2 3.8Å; V162-R173 HydrophobicContact CG1-CG 4.32Å; V162-A389 HydrophobicContact CG1-CB 3.98Å |
| 163 | P | 93.5 | Very high | 88.4 | Confident | 7 Ų | 7 | 39.7 Ų | 39.7 | 5% | 0.045 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 141.9 | 171.8 | 29 | -35.6 | 0 | 0 | 0 | 111.3 | V118 T119 F382 K385 L386 A389 | V118-P163 WeakPolarHBondContact O-CA 3.48Å; T119-P163 HydrophobicContact CG2-CB 4.37Å; P163-F382 HydrophobicContact CB-CD2 4.1Å; P163-F382 HydrophobicContact CB-CE2 3.55Å; P163-F382 HydrophobicContact CB-CZ 3.81Å; P163-K385 HydrophobicContact CG-CB 3.76Å; P163-K385 WeakPolarHBondContact CG-O 3.28Å; P163-L386 HydrophobicContact CB-CB 4.04Å; P163-L386 HydrophobicContact CB-CD1 4.03Å; P163-L386 VanDerWaalsContact CG-CA 3.48Å; P163-L386 HydrophobicContact CG-CB 4.09Å; P163-L386 HydrophobicContact CG-CD1 4.43Å; P163-L386 VanDerWaalsContact CG-N 3.35Å; P163-A389 HydrophobicContact CG-CB 4.05Å |
| 164 | V | 92.4 | Very high | 88.4 | Confident | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.024 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 140.8 | -177.4 | -70.3 | 0 | 0 | 0 | 0 | 110.1 | F103 V118 L120 E169 I170 | F103-V164 HydrophobicContact CZ-CG2 4.21Å; V118-V164 HydrophobicContact CB-CG2 3.94Å; V118-V164 HydrophobicContact CG1-CG2 3.6Å; V118-V164 PolarHBondContact O-N 3.3Å; L120-V164 HydrophobicContact CB-CG1 4.26Å; L120-V164 HydrophobicContact CB-CG2 4.43Å; V164-E169 WeakPolarHBondContact CA-OE2 3.48Å; V164-E169 HydrophobicContact CB-CB 4.34Å; V164-E169 HydrophobicContact CG1-CB 4.31Å; V164-I170 HydrophobicContact CB-CG1 3.96Å; V164-I170 HydrophobicContact CG1-CG1 4.09Å; V164-I170 HydrophobicContact CG2-CD1 4.02Å; V164-I170 HydrophobicContact CG2-CG1 3.7Å |
| 165 | G | 88.1 | Confident | 87.9 | Confident | 30 Ų | 30 | 43.1 Ų | 43.1 | 31% | 0.309 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -116.3 | -0.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | F103 E169 | F103-G165 WeakPolarHBondContact CE1-O 3.28Å; G165-E169 PolarHBondContact N-OE2 2.82Å |
| 166 | S | 88.1 | Confident | 87.3 | Confident | 43 Ų | 43 | 40.5 Ų | 40.5 | 30% | 0.301 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -158.1 | 164.8 | 175.4 | 66.3 | 0 | 0 | 0 | 0 | 111.8 | F103 G168 E169 I170 | F103-S166 WeakPolarHBondContact CE2-O 3.49Å; S166-G168 VanDerWaalsContact C-N 3.29Å; S166-G168 PolarHBondContact O-N 2.75Å; S166-E169 PolarHBondContact O-N 3.2Å; S166-E169 WeakPolarHBondContact OG-CG 3.28Å; S166-E169 PolarHBondContact OG-N 2.85Å; S166-I170 PolarHBondContact O-N 2.81Å |
| 167 | Y | 86.6 | Confident | 86.6 | Confident | 31 Ų | 31 | 39.7 Ų | 39.7 | 12% | 0.122 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.8 | -41.6 | 171.5 | 168.5 | -115.2 | 0 | 0 | 0 | 111.8 | P96 C99 E100 E169 I170 E171 | P96-Y167 HydrophobicContact CB-CE2 4.01Å; P96-Y167 WeakPolarHBondContact CB-OH 3.27Å; C99-Y167 HydrophobicContact CB-CD2 3.53Å; C99-Y167 HydrophobicContact CB-CE2 4.15Å; E100-Y167 HydrophobicContact CB-CD1 4.35Å; E100-Y167 HydrophobicContact CB-CG 4.15Å; Y167-E169 VanDerWaalsContact C-N 3.26Å; Y167-E169 PolarHBondContact O-N 2.62Å; Y167-I170 WeakPolarHBondContact O-CA 3.37Å; Y167-I170 WeakPolarHBondContact O-CB 3.37Å; Y167-I170 PolarHBondContact O-N 2.89Å; Y167-E171 HydrophobicContact CE2-CB 4.3Å; Y167-E171 PolarHBondContact O-N 3.21Å; Y167-E171 PolarHBondContact OH-OE1 3.45Å |
| 168 | G | 85.6 | Confident | 85.9 | Confident | 30 Ų | 30 | 35.8 Ų | 35.8 | 31% | 0.309 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.4 | -35.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | S166 Q172 | S166-G168 VanDerWaalsContact C-N 3.29Å; S166-G168 PolarHBondContact O-N 2.75Å; G168-Q172 WeakPolarHBondContact O-CB 3.32Å; G168-Q172 VanDerWaalsContact O-CG 3.22Å; G168-Q172 WeakPolarHBondContact O-CG 3.47Å; G168-Q172 PolarHBondContact O-N 3.49Å |
| 169 | E | 87.8 | Confident | 85 | Confident | 23 Ų | 23 | 34.4 Ų | 34.4 | 11% | 0.107 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.3 | -39.4 | 173.3 | -70.9 | 175.6 | -150.3 | 0 | 0 | 112.1 | V164 G165 S166 Y167 R173 R390 | V164-E169 WeakPolarHBondContact CA-OE2 3.48Å; V164-E169 HydrophobicContact CB-CB 4.34Å; V164-E169 HydrophobicContact CG1-CB 4.31Å; G165-E169 PolarHBondContact N-OE2 2.82Å; S166-E169 PolarHBondContact O-N 3.2Å; S166-E169 WeakPolarHBondContact OG-CG 3.28Å; S166-E169 PolarHBondContact OG-N 2.85Å; Y167-E169 VanDerWaalsContact C-N 3.26Å; Y167-E169 PolarHBondContact O-N 2.62Å; E169-R173 VanDerWaalsContact O-CG 3.3Å; E169-R173 WeakPolarHBondContact O-CG 3.48Å; E169-R173 PolarHBondContact O-N 3.47Å; E169-R173 VanDerWaalsContact O-N 3.07Å; E169-R390 IonicContact OE1-CZ 2.69Å; E169-R390 VanDerWaalsContact OE1-CZ 3.29Å; E169-R390 IonicContact OE1-NE 2.81Å; E169-R390 PolarHBondContact OE1-NE 3.02Å; E169-R390 IonicContact OE1-NH2 2.97Å; E169-R390 PolarHBondContact OE1-NH2 2.82Å; E169-R390 IonicContact OE2-NE 3.8Å |
| 170 | I | 87 | Confident | 84 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.1 | -49.1 | 173.4 | -67.5 | -174.9 | 0 | 0 | 0 | 110.4 | C99 F103 L120 V164 S166 Y167 Q172 R173 M174 | C99-I170 HydrophobicContact CB-CD1 4.06Å; F103-I170 HydrophobicContact CE2-CD1 3.64Å; F103-I170 HydrophobicContact CE2-CG1 4.17Å; F103-I170 HydrophobicContact CZ-CD1 4.47Å; L120-I170 HydrophobicContact CD1-CG2 4.37Å; L120-I170 HydrophobicContact CD2-CG2 4.2Å; V164-I170 HydrophobicContact CB-CG1 3.96Å; V164-I170 HydrophobicContact CG1-CG1 4.09Å; V164-I170 HydrophobicContact CG2-CD1 4.02Å; V164-I170 HydrophobicContact CG2-CG1 3.7Å; S166-I170 PolarHBondContact O-N 2.81Å; Y167-I170 WeakPolarHBondContact O-CA 3.37Å; Y167-I170 WeakPolarHBondContact O-CB 3.37Å; Y167-I170 PolarHBondContact O-N 2.89Å; I170-Q172 VanDerWaalsContact C-N 3.32Å; I170-Q172 PolarHBondContact O-N 3.19Å; I170-R173 PolarHBondContact O-N 3.15Å; I170-R173 VanDerWaalsContact O-N 3.12Å; I170-M174 HydrophobicContact CG2-CE 3.98Å; I170-M174 HydrophobicContact CG2-CG 4.12Å; I170-M174 HydrophobicContact CG2-SD 4.07Å; I170-M174 WeakPolarHBondContact O-CG 3.29Å; I170-M174 PolarHBondContact O-N 3.02Å |
| 171 | E | 84.5 | Confident | 82.8 | Confident | 78 Ų | 78 | 34.9 Ų | 34.9 | 36% | 0.364 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -58.8 | -43.3 | -179.8 | -174.2 | 178.6 | -112.6 | 0 | 0 | 111.6 | Y167 R173 M174 N175 | Y167-E171 HydrophobicContact CE2-CB 4.3Å; Y167-E171 PolarHBondContact O-N 3.21Å; Y167-E171 PolarHBondContact OH-OE1 3.45Å; E171-R173 PolarHBondContact O-N 2.82Å; E171-M174 PolarHBondContact O-N 3.31Å; E171-N175 WeakPolarHBondContact O-CB 3.16Å; E171-N175 PolarHBondContact O-N 3.43Å; E171-N175 PolarHBondContact O-ND2 2.96Å |
| 172 | Q | 83.8 | Confident | 81 | Confident | 96 Ų | 96 | 29.2 Ų | 29.2 | 45% | 0.449 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -60.7 | -43.5 | 174.3 | -74.8 | 172.3 | -1.5 | 0 | 0 | 112.5 | G168 I170 N175 Q176 I393 | G168-Q172 WeakPolarHBondContact O-CB 3.32Å; G168-Q172 VanDerWaalsContact O-CG 3.22Å; G168-Q172 WeakPolarHBondContact O-CG 3.47Å; G168-Q172 PolarHBondContact O-N 3.49Å; I170-Q172 VanDerWaalsContact C-N 3.32Å; I170-Q172 PolarHBondContact O-N 3.19Å; Q172-N175 PolarHBondContact O-N 3.43Å; Q172-Q176 WeakPolarHBondContact O-CB 3.15Å; Q172-Q176 PolarHBondContact O-N 3.41Å; Q172-I393 VanDerWaalsContact OE1-CG2 3.27Å |
| 173 | R | 86.1 | Confident | 78.9 | Confident | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.6 | -37.8 | 177.5 | -68.7 | -61.6 | -174.1 | 163.4 | 6.9 | 112.3 | L120 L134 V162 E169 I170 E171 Q176 G177 A389 E392 I393 | L120-R173 HydrophobicContact CD2-CB 3.69Å; L134-R173 HydrophobicContact CD2-CB 4.2Å; L134-R173 WeakPolarHBondContact CD2-O 3.38Å; V162-R173 HydrophobicContact CG1-CG 4.32Å; E169-R173 VanDerWaalsContact O-CG 3.3Å; E169-R173 WeakPolarHBondContact O-CG 3.48Å; E169-R173 PolarHBondContact O-N 3.47Å; E169-R173 VanDerWaalsContact O-N 3.07Å; I170-R173 PolarHBondContact O-N 3.15Å; I170-R173 VanDerWaalsContact O-N 3.12Å; E171-R173 PolarHBondContact O-N 2.82Å; R173-Q176 VanDerWaalsContact NH1-OE1 3.09Å; R173-Q176 WeakPolarHBondContact O-CB 3.42Å; R173-Q176 PolarHBondContact O-N 3.03Å; R173-G177 PolarHBondContact O-N 3.13Å; R173-A389 PolarHBondContact NH2-O 3.44Å; R173-E392 IonicContact CZ-OE2 3.17Å; R173-E392 IonicContact NH1-OE2 3.79Å; R173-E392 IonicContact NH2-OE2 3.56Å; R173-E392 PolarHBondContact NH2-OE2 3.37Å; R173-I393 HydrophobicContact CG-CD1 4.49Å |
| 174 | M | 82.5 | Confident | 76.4 | Confident | 12 Ų | 12 | 35.1 Ų | 35.1 | 6% | 0.059 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.8 | -46.9 | 173 | -70.9 | -168.1 | -55.3 | 0 | 0 | 111 | V95 I170 E171 Q176 G177 T178 I199 | V95-M174 HydrophobicContact CG1-SD 3.99Å; I170-M174 HydrophobicContact CG2-CE 3.98Å; I170-M174 HydrophobicContact CG2-CG 4.12Å; I170-M174 HydrophobicContact CG2-SD 4.07Å; I170-M174 WeakPolarHBondContact O-CG 3.29Å; I170-M174 PolarHBondContact O-N 3.02Å; E171-M174 PolarHBondContact O-N 3.31Å; M174-Q176 VanDerWaalsContact C-N 3.3Å; M174-Q176 PolarHBondContact O-N 3.48Å; M174-G177 CarbonylContact O-C 3.56Å; M174-G177 WeakPolarHBondContact O-CA 3.45Å; M174-G177 PolarHBondContact O-N 3.5Å; M174-G177 VanDerWaalsContact O-N 3.07Å; M174-T178 PolarHBondContact O-N 3.21Å; M174-T178 PolarHBondContact O-OG1 3.43Å; M174-T178 VanDerWaalsContact O-OG1 3.09Å; M174-I199 HydrophobicContact SD-CD1 4.07Å |
| 175 | N | 79.1 | Confident | 73.9 | Confident | 95 Ų | 95 | 35.7 Ų | 35.7 | 51% | 0.508 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.6 | -39.4 | 176.4 | -72.2 | -23.9 | 0 | 0 | 0 | 112 | E171 Q172 T178 A179 | E171-N175 WeakPolarHBondContact O-CB 3.16Å; E171-N175 PolarHBondContact O-N 3.43Å; E171-N175 PolarHBondContact O-ND2 2.96Å; Q172-N175 PolarHBondContact O-N 3.43Å; N175-T178 PolarHBondContact O-N 3Å; N175-A179 WeakPolarHBondContact O-CB 3.36Å; N175-A179 PolarHBondContact O-N 3.02Å |
| 176 | Q | 78.1 | Confident | 71.7 | Confident | 26 Ų | 26 | 37.4 Ų | 37.4 | 12% | 0.121 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.7 | -45.8 | 172.2 | -174.3 | -163.7 | -7.4 | 0 | 0 | 111.3 | Q172 R173 M174 R180 | Q172-Q176 WeakPolarHBondContact O-CB 3.15Å; Q172-Q176 PolarHBondContact O-N 3.41Å; R173-Q176 VanDerWaalsContact NH1-OE1 3.09Å; R173-Q176 WeakPolarHBondContact O-CB 3.42Å; R173-Q176 PolarHBondContact O-N 3.03Å; M174-Q176 VanDerWaalsContact C-N 3.3Å; M174-Q176 PolarHBondContact O-N 3.48Å; Q176-R180 WeakPolarHBondContact O-CG 3.47Å; Q176-R180 PolarHBondContact O-N 2.9Å |
| 177 | G | 77 | Confident | 69.4 | Low | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.7 | -46.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | R173 M174 R180 R181 | R173-G177 PolarHBondContact O-N 3.13Å; M174-G177 CarbonylContact O-C 3.56Å; M174-G177 WeakPolarHBondContact O-CA 3.45Å; M174-G177 PolarHBondContact O-N 3.5Å; M174-G177 VanDerWaalsContact O-N 3.07Å; G177-R180 WeakPolarHBondContact O-CB 3.49Å; G177-R180 PolarHBondContact O-N 2.79Å; G177-R181 WeakPolarHBondContact O-CG 3.47Å; G177-R181 PolarHBondContact O-N 3.05Å |
| 178 | T | 72.6 | Confident | 67.2 | Low | 16 Ų | 16 | 36.1 Ų | 36.1 | 10% | 0.098 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.9 | -46.8 | 176.9 | -58.3 | 0 | 0 | 0 | 0 | 111.9 | M174 N175 R180 R181 T182 L426 | M174-T178 PolarHBondContact O-N 3.21Å; M174-T178 PolarHBondContact O-OG1 3.43Å; M174-T178 VanDerWaalsContact O-OG1 3.09Å; N175-T178 PolarHBondContact O-N 3Å; T178-R180 PolarHBondContact O-N 3.1Å; T178-R181 WeakPolarHBondContact O-CB 3.43Å; T178-R181 PolarHBondContact O-N 3.29Å; T178-R181 VanDerWaalsContact O-N 3.09Å; T178-T182 PolarHBondContact O-N 3.36Å; T178-T182 PolarHBondContact O-OG1 3Å; T178-L426 HydrophobicContact CG2-CD2 3.97Å |
| 179 | A | 68.6 | Low | 65.1 | Low | 33 Ų | 33 | 35.7 Ų | 35.7 | 27% | 0.273 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -59.8 | -33.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | N175 T182 V183 I429 | N175-A179 WeakPolarHBondContact O-CB 3.36Å; N175-A179 PolarHBondContact O-N 3.02Å; A179-T182 WeakPolarHBondContact O-CB 3.39Å; A179-T182 PolarHBondContact O-N 2.87Å; A179-V183 WeakPolarHBondContact O-CG2 3.29Å; A179-V183 PolarHBondContact O-N 3.34Å; A179-V183 VanDerWaalsContact O-N 3.08Å; A179-I429 HydrophobicContact CB-CG2 4.14Å |
| 180 | R | 69.3 | Low | 63.1 | Low | 58 Ų | 58 | 36.1 Ų | 36.1 | 22% | 0.219 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -74.9 | -33.8 | 176 | -76.6 | 171.4 | 170.4 | -172.9 | -13.8 | 113.6 | L133 L134 T135 Q176 G177 T178 T182 V183 A184 | L133-R180 WeakPolarHBondContact O-CD 3.43Å; L133-R180 PolarHBondContact O-NH1 2.81Å; L134-R180 PolarHBondContact O-NH1 3.09Å; T135-R180 PolarHBondContact O-NH1 3.41Å; T135-R180 PolarHBondContact O-NH2 3.43Å; Q176-R180 WeakPolarHBondContact O-CG 3.47Å; Q176-R180 PolarHBondContact O-N 2.9Å; G177-R180 WeakPolarHBondContact O-CB 3.49Å; G177-R180 PolarHBondContact O-N 2.79Å; T178-R180 PolarHBondContact O-N 3.1Å; R180-T182 PolarHBondContact O-N 2.69Å; R180-V183 PolarHBondContact O-N 3.34Å; R180-A184 WeakPolarHBondContact O-CB 3.45Å; R180-A184 PolarHBondContact O-N 2.95Å |
| 181 | R | 64.9 | Low | 61.5 | Low | 13 Ų | 13 | 37 Ų | 37 | 5% | 0.049 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -55.3 | -38.8 | 168.9 | -65 | 176.4 | 74.4 | -162.8 | 2.3 | 110.1 | L133 G177 T178 S192 T197 | L133-R181 HydrophobicContact CD1-CG 3.76Å; L133-R181 HydrophobicContact CD2-CG 3.7Å; L133-R181 HydrophobicContact CG-CG 4.4Å; G177-R181 WeakPolarHBondContact O-CG 3.47Å; G177-R181 PolarHBondContact O-N 3.05Å; T178-R181 WeakPolarHBondContact O-CB 3.43Å; T178-R181 PolarHBondContact O-N 3.29Å; T178-R181 VanDerWaalsContact O-N 3.09Å; R181-S192 VanDerWaalsContact NH2-CA 3.33Å; R181-S192 PolarHBondContact NH2-O 3.46Å; R181-S192 VanDerWaalsContact NH2-O 3.16Å; R181-T197 PolarHBondContact NH1-OG1 3.22Å; R181-T197 PolarHBondContact NH2-OG1 3.1Å |
| 182 | T | 52.3 | Low | 60.3 | Low | 4 Ų | 4 | 34.6 Ų | 34.6 | 3% | 0.025 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.1 | -47.9 | 175.9 | -35.5 | 0 | 0 | 0 | 0 | 113 | T178 A179 R180 A185 L426 I430 | T178-T182 PolarHBondContact O-N 3.36Å; T178-T182 PolarHBondContact O-OG1 3Å; A179-T182 WeakPolarHBondContact O-CB 3.39Å; A179-T182 PolarHBondContact O-N 2.87Å; R180-T182 PolarHBondContact O-N 2.69Å; T182-A185 WeakPolarHBondContact O-CB 3.2Å; T182-A185 PolarHBondContact O-N 3.33Å; T182-L426 WeakPolarHBondContact OG1-CD2 3.45Å; T182-I430 HydrophobicContact CG2-CD1 4.02Å; T182-I430 HydrophobicContact CG2-CG1 4.41Å |
| 183 | V | 48.2 | Very low | 59.5 | Low | 103 Ų | 103 | 31.8 Ų | 31.8 | 62% | 0.624 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -76.2 | -30.8 | -172.3 | 175.6 | 0 | 0 | 0 | 0 | 113.3 | A179 R180 A185 | A179-V183 WeakPolarHBondContact O-CG2 3.29Å; A179-V183 PolarHBondContact O-N 3.34Å; A179-V183 VanDerWaalsContact O-N 3.08Å; R180-V183 PolarHBondContact O-N 3.34Å; V183-A185 PolarHBondContact O-N 2.8Å |
| 184 | A | 42.4 | Very low | 58.6 | Low | 39 Ų | 39 | 33.9 Ų | 33.9 | 32% | 0.322 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -71.5 | -18.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R180 T186 | R180-A184 WeakPolarHBondContact O-CB 3.45Å; R180-A184 PolarHBondContact O-N 2.95Å; A184-T186 PolarHBondContact O-N 3.45Å |
| 185 | A | 39.1 | Very low | 58.5 | Low | 17 Ų | 17 | 33.4 Ų | 33.4 | 14% | 0.14 | 19% | 0.193 | C | C | . | . | trans | -77.7 | 87.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | T182 V183 N187 | T182-A185 WeakPolarHBondContact O-CB 3.2Å; T182-A185 PolarHBondContact O-N 3.33Å; V183-A185 PolarHBondContact O-N 2.8Å; A185-N187 VanDerWaalsContact CB-O 3.29Å; A185-N187 WeakPolarHBondContact CB-O 3.47Å; A185-N187 CarbonylContact O-C 3.58Å; A185-N187 PolarHBondContact O-N 2.81Å | ||
| 186 | T | 42.5 | Very low | 58.9 | Low | 65 Ų | 65 | 29 Ų | 29 | 40% | 0.399 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -56.9 | -14.6 | 170.9 | 38.7 | 0 | 0 | 0 | 0 | 113 | A184 | A184-T186 PolarHBondContact O-N 3.45Š|
| 187 | N | 39.9 | Very low | 59.4 | Low | 36 Ų | 36 | 28 Ų | 28 | 19% | 0.193 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -120.5 | 117.8 | 157.8 | -85.5 | -27.1 | 0 | 0 | 0 | 108.7 | A185 N189 | A185-N187 VanDerWaalsContact CB-O 3.29Å; A185-N187 WeakPolarHBondContact CB-O 3.47Å; A185-N187 CarbonylContact O-C 3.58Å; A185-N187 PolarHBondContact O-N 2.81Å; N187-N189 PolarHBondContact O-N 3.38Å |
| 188 | M | 39.2 | Very low | 60.1 | Low | 12 Ų | 12 | 28.2 Ų | 28.2 | 6% | 0.059 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -6.1 | -164.1 | -155.2 | 172.6 | 71.4 | 0 | 0 | 117.1 | L420 N421 Q521 | M188-L420 WeakPolarHBondContact CE-O 3.23Å; M188-N421 PolarHBondContact O-ND2 3.11Å; M188-Q521 PolarHBondContact SD-OE1 2.83Å |
| 189 | N | 42.6 | Very low | 61.1 | Low | 21 Ų | 21 | 27.9 Ų | 27.9 | 11% | 0.112 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.6 | 9.7 | -151.1 | -74.3 | -7.2 | 0 | 0 | 0 | 118.9 | N187 N421 Y520 | N187-N189 PolarHBondContact O-N 3.38Å; N189-N421 PolarHBondContact OD1-ND2 3.47Å; N189-Y520 VanDerWaalsContact ND2-CD1 3.31Å; N189-Y520 WeakPolarHBondContact ND2-CD1 3.39Å |
| 190 | E | 46 | Very low | 62.2 | Low | 31 Ų | 31 | 27.1 Ų | 27.1 | 15% | 0.145 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -150.3 | -6.5 | -173.8 | -129.9 | 162.6 | -151.2 | 0 | 0 | 119.6 | R194 R649 F650 Q653 | E190-R194 IonicContact OE1-CZ 3.78Å; E190-R194 IonicContact OE1-NH1 3.81Å; E190-R194 IonicContact OE1-NH2 2.83Å; E190-R194 PolarHBondContact OE1-NH2 3.05Å; E190-R194 IonicContact OE2-CZ 3.75Å; E190-R194 IonicContact OE2-NH1 2.87Å; E190-R194 PolarHBondContact OE2-NH1 3.36Å; E190-R194 IonicContact OE2-NH2 3.29Å; E190-R194 PolarHBondContact OE2-NH2 3.47Å; E190-R649 IonicContact OE1-CZ 2.89Å; E190-R649 IonicContact OE1-NH1 3.83Å; E190-R649 PolarHBondContact OE1-NH1 3.18Å; E190-R649 IonicContact OE1-NH2 2.7Å; E190-F650 WeakPolarHBondContact OE1-CE1 3.3Å; E190-Q653 PolarHBondContact OE2-NE2 2.93Å; E190-Q653 PolarHBondContact OE2-OE1 2.92Å; E190-Q653 VanDerWaalsContact OE2-OE1 3.1Å |
| 191 | T | 51.9 | Low | 63.4 | Low | 21 Ų | 21 | 24.3 Ų | 24.3 | 13% | 0.129 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -72.4 | -31.9 | 179.1 | -45.3 | 0 | 0 | 0 | 0 | 111.3 | Y126 R194 A195 | Y126-T191 HydrophobicContact CD2-CG2 4.17Å; Y126-T191 HydrophobicContact CG-CG2 4.16Å; T191-R194 PolarHBondContact O-N 3.16Å; T191-A195 HydrophobicContact CG2-CB 4.08Å; T191-A195 WeakPolarHBondContact O-CB 3.49Å; T191-A195 PolarHBondContact O-N 3.27Å |
| 192 | S | 60.7 | Low | 64.8 | Low | 27 Ų | 27 | 24.8 Ų | 24.8 | 19% | 0.189 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -71.5 | -40.4 | -171.3 | 65.4 | 0 | 0 | 0 | 0 | 114.2 | R181 R194 D423 | R181-S192 VanDerWaalsContact NH2-CA 3.33Å; R181-S192 PolarHBondContact NH2-O 3.46Å; R181-S192 VanDerWaalsContact NH2-O 3.16Å; S192-R194 VanDerWaalsContact C-N 3.34Å; S192-D423 PolarHBondContact OG-OD2 3.01Å; S192-D423 VanDerWaalsContact OG-OD2 3.11Å |
| 193 | S | 65.4 | Low | 66.8 | Low | 36 Ų | 36 | 24.6 Ų | 24.6 | 25% | 0.252 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -73.7 | -24.4 | 178.1 | 57.1 | 0 | 0 | 0 | 0 | 113.4 | A227 G228 | S193-A227 CarbonylContact O-C 3.53Å; S193-A227 WeakPolarHBondContact O-CA 3.17Å; S193-G228 PolarHBondContact O-N 2.93Å |
| 194 | R | 68.4 | Low | 69 | Low | 47 Ų | 47 | 20.2 Ų | 20.2 | 18% | 0.177 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -104.7 | -15.5 | -175.2 | -67.8 | -168.1 | 174.5 | 128.3 | 37.2 | 115.3 | Y126 E190 T191 S192 A227 F650 | Y126-R194 HydrophobicContact CD2-CB 4.15Å; Y126-R194 HydrophobicContact CE2-CB 3.76Å; E190-R194 IonicContact OE1-CZ 3.78Å; E190-R194 IonicContact OE1-NH1 3.81Å; E190-R194 IonicContact OE1-NH2 2.83Å; E190-R194 PolarHBondContact OE1-NH2 3.05Å; E190-R194 IonicContact OE2-CZ 3.75Å; E190-R194 IonicContact OE2-NH1 2.87Å; E190-R194 PolarHBondContact OE2-NH1 3.36Å; E190-R194 IonicContact OE2-NH2 3.29Å; E190-R194 PolarHBondContact OE2-NH2 3.47Å; T191-R194 PolarHBondContact O-N 3.16Å; S192-R194 VanDerWaalsContact C-N 3.34Å; R194-A227 VanDerWaalsContact O-CB 3.29Å; R194-A227 WeakPolarHBondContact O-CB 3.4Å; R194-F650 VanDerWaalsContact CZ-CD1 3.48Å; R194-F650 VanDerWaalsContact CZ-CE1 3.44Å; R194-F650 VanDerWaalsContact NH2-CD1 3.3Å |
| 195 | A | 80.7 | Confident | 71.3 | Confident | 2 Ų | 2 | 19 Ų | 19 | 2% | 0.017 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -93.2 | 136.5 | 177 | 0 | 0 | 0 | 0 | 0 | 110.3 | E124 I125 Y126 T191 | E124-A195 HydrophobicContact CB-CB 4.39Å; I125-A195 CarbonylContact O-C 3.6Å; I125-A195 VanDerWaalsContact O-CA 3.3Å; I125-A195 WeakPolarHBondContact O-CA 3.43Å; Y126-A195 HydrophobicContact CD2-CB 4.13Å; Y126-A195 HydrophobicContact CG-CB 4.46Å; T191-A195 HydrophobicContact CG2-CB 4.08Å; T191-A195 WeakPolarHBondContact O-CB 3.49Å; T191-A195 PolarHBondContact O-N 3.27Å |
| 196 | H | 87.5 | Confident | 73.7 | Confident | 2 Ų | 2 | 18.7 Ų | 18.7 | 1% | 0.009 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 126.4 | 168.4 | -50.9 | -75.5 | 0 | 0 | 0 | 108.4 | E124 I125 D225 L226 A227 S251 L276 | E124-H196 CarbonylContact C-O 3.22Å; E124-H196 VanDerWaalsContact CA-O 3.31Å; E124-H196 WeakPolarHBondContact CA-O 3.41Å; I125-H196 HydrophobicContact CB-CB 4.24Å; I125-H196 PolarHBondContact N-O 3.44Å; I125-H196 PolarHBondContact O-N 2.78Å; H196-D225 CarbonylContact C-O 3.56Å; H196-D225 WeakPolarHBondContact CA-O 3.25Å; H196-L226 HydrophobicContact CB-CD2 4.47Å; H196-L226 WeakPolarHBondContact ND1-CA 3.5Å; H196-L226 WeakPolarHBondContact ND1-CD2 3.34Å; H196-A227 WeakPolarHBondContact CE1-CB 3.41Å; H196-A227 PolarHBondContact CE1-N 2.89Å; H196-A227 PolarHBondContact ND1-N 2.97Å; H196-S251 WeakPolarHBondContact NE2-CB 3.44Å; H196-S251 PolarHBondContact NE2-OG 3.26Å; H196-L276 HydrophobicContact CB-CD1 4.24Å |
| 197 | T | 88.6 | Confident | 75.8 | Confident | 4 Ų | 4 | 17.9 Ų | 17.9 | 3% | 0.025 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 123.9 | 174 | -56.8 | 0 | 0 | 0 | 0 | 108.9 | M122 R181 I199 V224 D225 | M122-T197 HydrophobicContact CE-CG2 3.98Å; R181-T197 PolarHBondContact NH1-OG1 3.22Å; R181-T197 PolarHBondContact NH2-OG1 3.1Å; T197-I199 HydrophobicContact CG2-CG1 4.42Å; T197-V224 WeakPolarHBondContact O-CA 3.49Å; T197-D225 PolarHBondContact N-O 3.43Å; T197-D225 PolarHBondContact O-N 3.01Å |
| 198 | I | 92.4 | Very high | 77.6 | Confident | 6 Ų | 6 | 17.2 Ų | 17.2 | 3% | 0.031 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 113.7 | 178 | -62.1 | 168.5 | 0 | 0 | 0 | 108 | M122 M123 I125 V224 L276 L279 | M122-I198 WeakPolarHBondContact CA-O 3.36Å; M123-I198 HydrophobicContact CE-CB 3.77Å; M123-I198 HydrophobicContact CE-CD1 3.76Å; M123-I198 HydrophobicContact CE-CG1 4.36Å; M123-I198 HydrophobicContact CE-CG2 3.61Å; M123-I198 HydrophobicContact CG-CB 3.94Å; M123-I198 PolarHBondContact N-O 2.87Å; M123-I198 PolarHBondContact O-N 3.45Å; I125-I198 HydrophobicContact CD1-CD1 3.54Å; I125-I198 HydrophobicContact CG1-CD1 4.4Å; I198-V224 HydrophobicContact CG1-CB 4.38Å; I198-V224 HydrophobicContact CG1-CG1 3.81Å; I198-V224 HydrophobicContact CG1-CG2 4Å; I198-V224 HydrophobicContact CG2-CG2 4.21Å; I198-L276 HydrophobicContact CD1-CD1 4.21Å; I198-L279 HydrophobicContact CD1-CD1 4.33Å |
| 199 | I | 91.6 | Very high | 78.9 | Confident | 8 Ų | 8 | 18.2 Ų | 18.2 | 4% | 0.041 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 124.8 | 169.5 | -63.1 | 163.2 | 0 | 0 | 0 | 106.7 | L120 T121 M122 M174 T197 L223 | L120-I199 HydrophobicContact CD1-CG2 3.6Å; T121-I199 WeakPolarHBondContact O-CA 3.44Å; M122-I199 HydrophobicContact CB-CG1 4.47Å; M122-I199 HydrophobicContact CE-CD1 4.46Å; M122-I199 HydrophobicContact CE-CG1 4.48Å; M122-I199 HydrophobicContact CG-CG1 3.88Å; M174-I199 HydrophobicContact SD-CD1 4.07Å; T197-I199 HydrophobicContact CG2-CG1 4.42Å; I199-L223 HydrophobicContact CB-CB 4.18Å; I199-L223 HydrophobicContact CG2-CD1 4.27Å; I199-L223 PolarHBondContact N-O 3.31Å; I199-L223 WeakPolarHBondContact O-CB 3.4Å; I199-L223 PolarHBondContact O-N 3.39Å |
| 200 | T | 93.4 | Very high | 79.7 | Confident | 17 Ų | 17 | 24.4 Ų | 24.4 | 10% | 0.104 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 123 | 176 | -49.2 | 0 | 0 | 0 | 0 | 109.7 | L120 T121 V220 I221 N222 | L120-T200 WeakPolarHBondContact CA-O 3.45Å; T121-T200 PolarHBondContact N-O 2.78Å; T121-T200 PolarHBondContact O-N 2.98Å; T121-T200 VanDerWaalsContact OG1-CB 3.23Å; T121-T200 WeakPolarHBondContact OG1-CB 3.42Å; T200-V220 HydrophobicContact CG2-CG1 3.41Å; T200-V220 VanDerWaalsContact CG2-CG1 3.41Å; T200-I221 WeakPolarHBondContact CA-O 3.47Å; T200-N222 WeakPolarHBondContact CG2-OD1 3.43Å; T200-N222 PolarHBondContact OG1-OD1 2.85Å |
| 201 | I | 93.7 | Very high | 80.2 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 115.6 | 172 | -56.7 | 170.5 | 0 | 0 | 0 | 107.2 | C99 L102 V118 T119 L120 I221 L223 | C99-I201 WeakPolarHBondContact SG-CD1 3.27Å; L102-I201 HydrophobicContact CD2-CG2 4.45Å; V118-I201 HydrophobicContact CG1-CG2 3.63Å; T119-I201 CarbonylContact O-C 3.57Å; T119-I201 WeakPolarHBondContact O-CA 3.28Å; L120-I201 HydrophobicContact CD1-CG1 3.85Å; I201-I221 HydrophobicContact CB-CB 4.25Å; I201-I221 PolarHBondContact N-O 3.23Å; I201-I221 PolarHBondContact O-N 3.19Å; I201-L223 HydrophobicContact CD1-CD1 3.85Å; I201-L223 HydrophobicContact CG1-CD1 4.41Å |
| 202 | T | 94 | Very high | 80.4 | Confident | 23 Ų | 23 | 33.9 Ų | 33.9 | 14% | 0.141 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 119 | 170.6 | -53.9 | 0 | 0 | 0 | 0 | 108.3 | V118 T119 R218 V220 | V118-T202 WeakPolarHBondContact CA-O 3.37Å; T119-T202 PolarHBondContact N-O 2.94Å; T119-T202 PolarHBondContact O-N 3.2Å; T119-T202 WeakPolarHBondContact OG1-CB 3.4Å; T202-R218 HydrophobicContact CG2-CG 4.13Å; T202-V220 HydrophobicContact CG2-CG2 4.36Å |
| 203 | F | 95 | Very high | 80.7 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 111.1 | -178.2 | 170.6 | -125.6 | 0 | 0 | 0 | 110.1 | A63 F64 L102 I106 F116 V118 Q205 S219 | A63-F203 HydrophobicContact CB-CD1 4.43Å; F64-F203 AromaticContact CD1-CE1 3.9Å; F64-F203 HydrophobicContact CD1-CE1 3.9Å; F64-F203 AromaticContact CD1-CZ 3.98Å; F64-F203 HydrophobicContact CD1-CZ 3.98Å; F64-F203 HydrophobicContact CD2-CE1 4.35Å; F64-F203 AromaticContact CE1-CE1 3.95Å; F64-F203 HydrophobicContact CE1-CE1 3.95Å; F64-F203 AromaticContact CE1-CZ 3.61Å; F64-F203 HydrophobicContact CE1-CZ 3.61Å; F64-F203 HydrophobicContact CE2-CE1 4.38Å; F64-F203 HydrophobicContact CG-CE1 4.11Å; F64-F203 HydrophobicContact CZ-CE1 4.19Å; F64-F203 AromaticContact CZ-CZ 3.9Å; F64-F203 HydrophobicContact CZ-CZ 3.9Å; L102-F203 HydrophobicContact CD1-CD1 4.24Å; L102-F203 HydrophobicContact CD1-CD2 4.23Å; L102-F203 HydrophobicContact CD1-CE1 4.16Å; L102-F203 HydrophobicContact CD1-CE2 4.1Å; L102-F203 HydrophobicContact CD1-CG 4.28Å; L102-F203 HydrophobicContact CD1-CZ 4.07Å; I106-F203 HydrophobicContact CD1-CE2 3.85Å; I106-F203 HydrophobicContact CG1-CE2 4.21Å; F116-F203 HydrophobicContact CB-CE2 3.97Å; F116-F203 AromaticContact CD1-CE2 3.47Å; F116-F203 HydrophobicContact CD1-CE2 3.47Å; F116-F203 VanDerWaalsContact CD1-CE2 3.47Å; F116-F203 AromaticContact CD1-CZ 3.42Å; F116-F203 HydrophobicContact CD1-CZ 3.42Å; F116-F203 VanDerWaalsContact CD1-CZ 3.42Å; F116-F203 HydrophobicContact CE1-CE2 4.35Å; F116-F203 AromaticContact CE1-CZ 3.86Å; F116-F203 HydrophobicContact CE1-CZ 3.86Å; F116-F203 HydrophobicContact CG-CE2 4.04Å; F116-F203 HydrophobicContact CG-CZ 4.35Å; V118-F203 HydrophobicContact CG2-CD2 3.91Å; V118-F203 HydrophobicContact CG2-CE2 4.49Å; F203-Q205 HydrophobicContact CD1-CG 4.37Å; F203-Q205 HydrophobicContact CE1-CG 3.69Å; F203-Q205 HydrophobicContact CE2-CG 4.32Å; F203-Q205 HydrophobicContact CZ-CG 3.67Å; F203-S219 WeakPolarHBondContact CB-OG 3.31Å; F203-S219 VanDerWaalsContact CD1-OG 3.28Å; F203-S219 WeakPolarHBondContact CD1-OG 3.14Å; F203-S219 PolarHBondContact N-O 2.97Å; F203-S219 PolarHBondContact O-N 3.19Å; F203-S219 PolarHBondContact O-OG 2.92Å; F203-S219 VanDerWaalsContact O-OG 3.08Å |
| 204 | D | 93.2 | Very high | 81 | Confident | 11 Ų | 11 | 39.1 Ų | 39.1 | 6% | 0.059 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 129.5 | 179.7 | -77.2 | -29.3 | 0 | 0 | 0 | 110.7 | F116 Q117 R216 K217 R218 | F116-D204 WeakPolarHBondContact CA-O 3.3Å; Q117-D204 HydrophobicContact CB-CB 4.17Å; Q117-D204 PolarHBondContact N-O 2.67Å; Q117-D204 PolarHBondContact O-N 3.01Å; D204-R216 HydrophobicContact CB-CG 4.46Å; D204-R216 VanDerWaalsContact CG-NH1 3.29Å; D204-R216 IonicContact OD2-CZ 3.16Å; D204-R216 IonicContact OD2-NH1 3.99Å; D204-R216 PolarHBondContact OD2-NH1 2.9Å; D204-K217 WeakPolarHBondContact CA-O 3.5Å; D204-R218 WeakPolarHBondContact OD1-CA 3.34Å; D204-R218 WeakPolarHBondContact OD1-CB 3.33Å; D204-R218 WeakPolarHBondContact OD1-CG 3.14Å; D204-R218 IonicContact OD1-CZ 3.09Å; D204-R218 IonicContact OD1-NE 2.74Å; D204-R218 PolarHBondContact OD1-NE 3.34Å; D204-R218 IonicContact OD1-NH2 2.77Å; D204-R218 IonicContact OD2-CZ 2.91Å; D204-R218 IonicContact OD2-NE 3.31Å; D204-R218 PolarHBondContact OD2-NE 2.92Å; D204-R218 IonicContact OD2-NH2 2.63Å; D204-R218 PolarHBondContact OD2-NH2 3.48Å |
| 205 | Q | 92.5 | Very high | 81.6 | Confident | 13 Ų | 13 | 37.2 Ų | 37.2 | 6% | 0.061 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 115.8 | 172.4 | -51.6 | 176.8 | 67.3 | 0 | 0 | 108.2 | A63 F64 F116 F203 I207 R216 K217 | A63-Q205 PolarHBondContact O-NE2 3.46Å; F64-Q205 PolarHBondContact O-NE2 2.9Å; F64-Q205 PolarHBondContact O-OE1 3.33Å; F116-Q205 HydrophobicContact CD1-CB 4.31Å; F116-Q205 HydrophobicContact CD1-CG 3.87Å; F116-Q205 HydrophobicContact CE1-CB 4.24Å; F116-Q205 HydrophobicContact CE1-CG 3.81Å; F203-Q205 HydrophobicContact CD1-CG 4.37Å; F203-Q205 HydrophobicContact CE1-CG 3.69Å; F203-Q205 HydrophobicContact CE2-CG 4.32Å; F203-Q205 HydrophobicContact CZ-CG 3.67Å; Q205-I207 HydrophobicContact CB-CG1 4.39Å; Q205-R216 WeakPolarHBondContact O-CA 3.47Å; Q205-K217 HydrophobicContact CB-CB 4.27Å; Q205-K217 PolarHBondContact N-O 3.21Å; Q205-K217 PolarHBondContact O-N 3.14Å |
| 206 | L | 88.8 | Confident | 81.9 | Confident | 11 Ų | 11 | 37.7 Ų | 37.7 | 6% | 0.058 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 114.6 | 172.7 | -64.7 | 170.9 | 0 | 0 | 0 | 107.3 | K114 K115 Q117 R216 Q379 | K114-L206 WeakPolarHBondContact CA-O 3.38Å; K115-L206 HydrophobicContact CB-CB 4.13Å; K115-L206 HydrophobicContact CB-CD1 4.32Å; K115-L206 PolarHBondContact N-O 3.26Å; K115-L206 PolarHBondContact O-N 2.89Å; Q117-L206 HydrophobicContact CG-CD1 4.46Å; L206-R216 HydrophobicContact CD2-CB 4.16Å; L206-R216 HydrophobicContact CD2-CG 4.15Å; L206-Q379 HydrophobicContact CD1-CG 4.41Å |
| 207 | I | 85.4 | Confident | 82.1 | Confident | 47 Ų | 47 | 39.5 Ų | 39.5 | 24% | 0.241 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 113.1 | -174.9 | -55.8 | 168.8 | 0 | 0 | 0 | 107.4 | D113 K114 Q205 S215 K217 | D113-I207 WeakPolarHBondContact O-CA 3.46Å; K114-I207 HydrophobicContact CG-CG1 4.43Å; Q205-I207 HydrophobicContact CB-CG1 4.39Å; I207-S215 PolarHBondContact N-O 3.13Å; I207-S215 PolarHBondContact O-N 2.81Å; I207-K217 HydrophobicContact CD1-CD 3.63Å; I207-K217 HydrophobicContact CD1-CG 3.88Å |
| 208 | G | 78.6 | Confident | 82.2 | Confident | 23 Ų | 23 | 44.7 Ų | 44.7 | 24% | 0.237 | 23% | 0.234 | C | C | . | . | trans | 144.1 | 152.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D113 | D113-G208 PolarHBondContact O-N 2.9Š| ||
| 209 | S | 66.1 | Low | 82.2 | Confident | 32 Ų | 32 | 44.4 Ų | 44.4 | 22% | 0.224 | 23% | 0.232 | C | C | . | . | trans | -91.4 | 167.9 | 175 | 79 | 0 | 0 | 0 | 0 | 111.5 | D113 E211 S212 | D113-S209 VanDerWaalsContact OD1-CB 3.28Å; D113-S209 WeakPolarHBondContact OD1-CB 3.47Å; S209-E211 PolarHBondContact O-N 3.19Å; S209-E211 VanDerWaalsContact O-N 3.13Å; S209-E211 PolarHBondContact OG-N 2.86Å; S209-S212 WeakPolarHBondContact CB-OG 3.43Å; S209-S212 PolarHBondContact N-OG 3.48Å; S209-S212 PolarHBondContact O-N 2.89Å; S209-S212 VanDerWaalsContact O-N 3.08Å; S209-S212 PolarHBondContact OG-N 2.8Å; S209-S212 PolarHBondContact OG-OG 2.94Å | ||
| 210 | V | 59 | Low | 82.3 | Confident | 151 Ų | 151 | 45.6 Ų | 45.6 | 92% | 0.915 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -26.2 | 176.5 | -178.2 | 0 | 0 | 0 | 0 | 112.4 | ||
| 211 | E | 56.7 | Low | 82.3 | Confident | 193 Ų | 193 | 44.9 Ų | 44.9 | 90% | 0.902 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -12.7 | -179.8 | -65.1 | 179 | 171.4 | 0 | 0 | 113.6 | S209 | S209-E211 PolarHBondContact O-N 3.19Å; S209-E211 VanDerWaalsContact O-N 3.13Å; S209-E211 PolarHBondContact OG-N 2.86Å |
| 212 | S | 57 | Low | 82.3 | Confident | 59 Ų | 59 | 46.1 Ų | 46.1 | 41% | 0.413 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -119.2 | 169.5 | -174 | 61.5 | 0 | 0 | 0 | 0 | 112.7 | S209 I214 | S209-S212 WeakPolarHBondContact CB-OG 3.43Å; S209-S212 PolarHBondContact N-OG 3.48Å; S209-S212 PolarHBondContact O-N 2.89Å; S209-S212 VanDerWaalsContact O-N 3.08Å; S209-S212 PolarHBondContact OG-N 2.8Å; S209-S212 PolarHBondContact OG-OG 2.94Å; S212-I214 PolarHBondContact O-N 2.78Å |
| 213 | K | 66.4 | Low | 82.2 | Confident | 128 Ų | 128 | 45.1 Ų | 45.1 | 56% | 0.557 | 24% | 0.236 | S | C | * | . | trans | -57.9 | 107.7 | -178.8 | -65.1 | -177.2 | 179.1 | -158 | 0 | 110.9 | S215 L329 E368 | K213-S215 PolarHBondContact O-N 3.16Å; K213-L329 HydrophobicContact CB-CD1 4.08Å; K213-E368 WeakPolarHBondContact CE-OE1 3.5Å; K213-E368 IonicContact NZ-OE1 3.16Å; K213-E368 PolarHBondContact NZ-OE1 2.65Å | ||
| 214 | I | 72.7 | Confident | 82.1 | Confident | 45 Ų | 45 | 45.1 Ų | 45.1 | 23% | 0.231 | 24% | 0.236 | C | C | . | . | trans | -74.4 | 108.8 | 172.6 | -57.6 | 176.1 | 0 | 0 | 0 | 108.9 | S212 L329 A372 E375 | S212-I214 PolarHBondContact O-N 2.78Å; I214-L329 WeakPolarHBondContact O-CD1 3.26Å; I214-A372 HydrophobicContact CD1-CB 4.33Å; I214-E375 HydrophobicContact CG2-CB 4.03Å; I214-E375 HydrophobicContact CG2-CG 4.12Å | ||
| 215 | S | 81.2 | Confident | 81.9 | Confident | 7 Ų | 7 | 45.4 Ų | 45.4 | 5% | 0.049 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 135.3 | 174.2 | -170.3 | 0 | 0 | 0 | 0 | 111.2 | I207 K213 E327 | I207-S215 PolarHBondContact N-O 3.13Å; I207-S215 PolarHBondContact O-N 2.81Å; K213-S215 PolarHBondContact O-N 3.16Å; S215-E327 VanDerWaalsContact OG-CG 3.26Å; S215-E327 WeakPolarHBondContact OG-CG 3.26Å; S215-E327 PolarHBondContact OG-OE1 3.23Å |
| 216 | R | 86.7 | Confident | 81.8 | Confident | 12 Ų | 12 | 44.9 Ų | 44.9 | 5% | 0.045 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 120.4 | 170.4 | -174 | -177.3 | -71.2 | -101.9 | -3.3 | 109.4 | D204 Q205 L206 R328 E375 | D204-R216 HydrophobicContact CB-CG 4.46Å; D204-R216 VanDerWaalsContact CG-NH1 3.29Å; D204-R216 IonicContact OD2-CZ 3.16Å; D204-R216 IonicContact OD2-NH1 3.99Å; D204-R216 PolarHBondContact OD2-NH1 2.9Å; Q205-R216 WeakPolarHBondContact O-CA 3.47Å; L206-R216 HydrophobicContact CD2-CB 4.16Å; L206-R216 HydrophobicContact CD2-CG 4.15Å; R216-R328 HydrophobicContact CB-CB 4.48Å; R216-R328 PolarHBondContact O-N 3.46Å; R216-E375 IonicContact CZ-OE2 2.68Å; R216-E375 IonicContact NE-OE1 3.55Å; R216-E375 PolarHBondContact NE-OE1 2.75Å; R216-E375 IonicContact NE-OE2 2.63Å; R216-E375 PolarHBondContact NE-OE2 3.48Å; R216-E375 IonicContact NH2-OE2 2.7Å; R216-E375 PolarHBondContact NH2-OE2 3.16Å |
| 217 | K | 90.3 | Very high | 81.6 | Confident | 39 Ų | 39 | 44.7 Ų | 44.7 | 17% | 0.17 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 121.6 | 164.5 | -61.7 | -169.9 | -176 | -163.3 | 0 | 109.3 | D204 Q205 I207 E325 N326 E327 | D204-K217 WeakPolarHBondContact CA-O 3.5Å; Q205-K217 HydrophobicContact CB-CB 4.27Å; Q205-K217 PolarHBondContact N-O 3.21Å; Q205-K217 PolarHBondContact O-N 3.14Å; I207-K217 HydrophobicContact CD1-CD 3.63Å; I207-K217 HydrophobicContact CD1-CG 3.88Å; K217-E325 WeakPolarHBondContact CE-OE1 3.45Å; K217-E325 IonicContact NZ-OE1 3Å; K217-E325 PolarHBondContact NZ-OE1 3.2Å; K217-N326 WeakPolarHBondContact CA-O 3.01Å; K217-E327 WeakPolarHBondContact CE-OE2 3.23Å; K217-E327 HydrophobicContact CG-CB 4.11Å; K217-E327 HydrophobicContact CG-CG 4Å; K217-E327 IonicContact NZ-OE2 2.79Å |
| 218 | R | 91.3 | Very high | 81.5 | Confident | 114 Ų | 114 | 42.8 Ų | 42.8 | 43% | 0.43 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 122.7 | -178.1 | 175.4 | 164.5 | -69.1 | 168.8 | -2.4 | 110.9 | T202 D204 V220 N326 | T202-R218 HydrophobicContact CG2-CG 4.13Å; D204-R218 WeakPolarHBondContact OD1-CA 3.34Å; D204-R218 WeakPolarHBondContact OD1-CB 3.33Å; D204-R218 WeakPolarHBondContact OD1-CG 3.14Å; D204-R218 IonicContact OD1-CZ 3.09Å; D204-R218 IonicContact OD1-NE 2.74Å; D204-R218 PolarHBondContact OD1-NE 3.34Å; D204-R218 IonicContact OD1-NH2 2.77Å; D204-R218 IonicContact OD2-CZ 2.91Å; D204-R218 IonicContact OD2-NE 3.31Å; D204-R218 PolarHBondContact OD2-NE 2.92Å; D204-R218 IonicContact OD2-NH2 2.63Å; D204-R218 PolarHBondContact OD2-NH2 3.48Å; R218-V220 HydrophobicContact CG-CG2 4.42Å; R218-N326 PolarHBondContact N-O 3.01Å; R218-N326 WeakPolarHBondContact O-CB 3.48Å |
| 219 | S | 93.2 | Very high | 81.7 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 145.5 | 166.8 | 62.7 | 0 | 0 | 0 | 0 | 110.1 | A63 Y67 F203 | A63-S219 WeakPolarHBondContact O-CB 3.37Å; A63-S219 PolarHBondContact O-OG 3.15Å; Y67-S219 VanDerWaalsContact O-CB 3.28Å; Y67-S219 WeakPolarHBondContact O-CB 3.41Å; F203-S219 WeakPolarHBondContact CB-OG 3.31Å; F203-S219 VanDerWaalsContact CD1-OG 3.28Å; F203-S219 WeakPolarHBondContact CD1-OG 3.14Å; F203-S219 PolarHBondContact N-O 2.97Å; F203-S219 PolarHBondContact O-N 3.19Å; F203-S219 PolarHBondContact O-OG 2.92Å; F203-S219 VanDerWaalsContact O-OG 3.08Å |
| 220 | V | 92.8 | Very high | 82 | Confident | 33 Ų | 33 | 43.8 Ų | 43.8 | 20% | 0.2 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 120.4 | 175.2 | -179.8 | 0 | 0 | 0 | 0 | 106.8 | S68 C69 T200 T202 R218 N222 | S68-V220 CarbonylContact C-O 3.31Å; S68-V220 WeakPolarHBondContact CA-O 3.42Å; C69-V220 PolarHBondContact N-O 2.99Å; T200-V220 HydrophobicContact CG2-CG1 3.41Å; T200-V220 VanDerWaalsContact CG2-CG1 3.41Å; T202-V220 HydrophobicContact CG2-CG2 4.36Å; R218-V220 HydrophobicContact CG-CG2 4.42Å; V220-N222 WeakPolarHBondContact CG1-OD1 3.04Å |
| 221 | I | 93.5 | Very high | 82.1 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 104.4 | 176.1 | -50.9 | 171.7 | 0 | 0 | 0 | 107 | A63 C69 T200 I201 L223 | A63-I221 HydrophobicContact CB-CD1 3.81Å; A63-I221 HydrophobicContact CB-CG1 4.1Å; C69-I221 CarbonylContact O-C 3.53Å; C69-I221 WeakPolarHBondContact O-CA 3.28Å; T200-I221 WeakPolarHBondContact CA-O 3.47Å; I201-I221 HydrophobicContact CB-CB 4.25Å; I201-I221 PolarHBondContact N-O 3.23Å; I201-I221 PolarHBondContact O-N 3.19Å; I221-L223 HydrophobicContact CG2-CD2 3.88Å; I221-L223 HydrophobicContact CG2-CG 4.07Å |
| 222 | N | 93.1 | Very high | 81.9 | Confident | 27 Ų | 27 | 36 Ų | 36 | 14% | 0.144 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 124.8 | 173.5 | -59.9 | -45.1 | 0 | 0 | 0 | 109.1 | C69 S70 L71 T200 V220 V224 | C69-N222 PolarHBondContact O-N 3.45Å; S70-N222 CarbonylContact C-O 3.56Å; S70-N222 WeakPolarHBondContact CA-O 3.32Å; S70-N222 PolarHBondContact OG-ND2 3.47Å; L71-N222 PolarHBondContact N-O 3.34Å; T200-N222 WeakPolarHBondContact CG2-OD1 3.43Å; T200-N222 PolarHBondContact OG1-OD1 2.85Å; V220-N222 WeakPolarHBondContact CG1-OD1 3.04Å; N222-V224 HydrophobicContact CB-CG2 4.46Å |
| 223 | L | 92.3 | Very high | 81.4 | Confident | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 110.7 | 179.5 | -58.4 | 165.8 | 0 | 0 | 0 | 107.1 | L71 M85 V95 I199 I201 I221 | L71-L223 HydrophobicContact CB-CD2 3.99Å; L71-L223 HydrophobicContact CD2-CD2 4.13Å; L71-L223 CarbonylContact O-C 3.58Å; L71-L223 WeakPolarHBondContact O-CA 3.34Å; M85-L223 HydrophobicContact CE-CB 3.9Å; M85-L223 HydrophobicContact CE-CD2 4.43Å; V95-L223 HydrophobicContact CB-CD1 4.13Å; V95-L223 HydrophobicContact CG1-CD1 3.65Å; V95-L223 HydrophobicContact CG2-CB 4.05Å; V95-L223 HydrophobicContact CG2-CD1 3.56Å; V95-L223 HydrophobicContact CG2-CD2 3.93Å; V95-L223 HydrophobicContact CG2-CG 4.03Å; I199-L223 HydrophobicContact CB-CB 4.18Å; I199-L223 HydrophobicContact CG2-CD1 4.27Å; I199-L223 PolarHBondContact N-O 3.31Å; I199-L223 WeakPolarHBondContact O-CB 3.4Å; I199-L223 PolarHBondContact O-N 3.39Å; I201-L223 HydrophobicContact CD1-CD1 3.85Å; I201-L223 HydrophobicContact CG1-CD1 4.41Å; I221-L223 HydrophobicContact CG2-CD2 3.88Å; I221-L223 HydrophobicContact CG2-CG 4.07Å |
| 224 | V | 92.4 | Very high | 80.2 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 114.7 | -168.3 | -174.6 | 0 | 0 | 0 | 0 | 110.2 | L71 F72 A73 T197 I198 N222 L226 L280 | L71-V224 PolarHBondContact O-N 2.88Å; F72-V224 CarbonylContact C-O 3.28Å; F72-V224 WeakPolarHBondContact CA-O 3.26Å; F72-V224 HydrophobicContact CB-CB 3.71Å; F72-V224 HydrophobicContact CB-CG1 4.32Å; F72-V224 HydrophobicContact CB-CG2 4.48Å; A73-V224 PolarHBondContact N-O 2.86Å; T197-V224 WeakPolarHBondContact O-CA 3.49Å; I198-V224 HydrophobicContact CG1-CB 4.38Å; I198-V224 HydrophobicContact CG1-CG1 3.81Å; I198-V224 HydrophobicContact CG1-CG2 4Å; I198-V224 HydrophobicContact CG2-CG2 4.21Å; N222-V224 HydrophobicContact CB-CG2 4.46Å; V224-L226 HydrophobicContact CG1-CD2 3.55Å; V224-L226 HydrophobicContact CG1-CG 4.05Å; V224-L280 HydrophobicContact CG2-CD2 4.08Å |
| 225 | D | 89.8 | Confident | 78.8 | Confident | 16 Ų | 16 | 35.8 Ų | 35.8 | 9% | 0.086 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 106.3 | 167.5 | -167.8 | 5.2 | 0 | 0 | 0 | 107.7 | K81 S82 H196 T197 | K81-D225 WeakPolarHBondContact CB-OD1 3.48Å; S82-D225 WeakPolarHBondContact CB-OD2 3.46Å; S82-D225 PolarHBondContact OG-OD2 2.84Å; H196-D225 CarbonylContact C-O 3.56Å; H196-D225 WeakPolarHBondContact CA-O 3.25Å; T197-D225 PolarHBondContact N-O 3.43Å; T197-D225 PolarHBondContact O-N 3.01Å |
| 226 | L | 90.6 | Very high | 76.8 | Confident | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -78.4 | 153.8 | -178.3 | -62.7 | 173.5 | 0 | 0 | 0 | 110.7 | F72 A73 Y74 K81 H196 V224 L252 L255 L276 | F72-L226 HydrophobicContact CD2-CD1 3.93Å; A73-L226 VanDerWaalsContact O-CB 3.28Å; A73-L226 WeakPolarHBondContact O-CB 3.41Å; A73-L226 WeakPolarHBondContact O-CG 3.48Å; A73-L226 PolarHBondContact O-N 3.4Å; Y74-L226 HydrophobicContact CD2-CD1 3.85Å; Y74-L226 HydrophobicContact CG-CD1 4.48Å; K81-L226 WeakPolarHBondContact CE-O 3.33Å; H196-L226 HydrophobicContact CB-CD2 4.47Å; H196-L226 WeakPolarHBondContact ND1-CA 3.5Å; H196-L226 WeakPolarHBondContact ND1-CD2 3.34Å; V224-L226 HydrophobicContact CG1-CD2 3.55Å; V224-L226 HydrophobicContact CG1-CG 4.05Å; L226-L252 HydrophobicContact CB-CD2 4.42Å; L226-L255 HydrophobicContact CD1-CD2 3.9Å; L226-L276 HydrophobicContact CD2-CD1 3.89Å; L226-L276 HydrophobicContact CD2-CD2 3.76Å; L226-L276 HydrophobicContact CD2-CG 4.4Å |
| 227 | A | 84.3 | Confident | 74.4 | Confident | 7 Ų | 7 | 39.8 Ų | 39.8 | 6% | 0.058 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -55 | 158.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S193 R194 H196 S229 L252 | S193-A227 CarbonylContact O-C 3.53Å; S193-A227 WeakPolarHBondContact O-CA 3.17Å; R194-A227 VanDerWaalsContact O-CB 3.29Å; R194-A227 WeakPolarHBondContact O-CB 3.4Å; H196-A227 WeakPolarHBondContact CE1-CB 3.41Å; H196-A227 PolarHBondContact CE1-N 2.89Å; H196-A227 PolarHBondContact ND1-N 2.97Å; A227-S229 PolarHBondContact O-N 2.84Å; A227-L252 HydrophobicContact CB-CD1 4.45Å |
| 228 | G | 83.3 | Confident | 71.7 | Confident | 6 Ų | 6 | 43.8 Ų | 43.8 | 6% | 0.062 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -49.9 | 132 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S193 E230 L252 | S193-G228 PolarHBondContact O-N 2.93Å; G228-E230 VanDerWaalsContact C-N 3.31Å; G228-E230 WeakPolarHBondContact CA-OE2 3.46Å; G228-L252 WeakPolarHBondContact O-CD1 3.41Å |
| 229 | S | 84.3 | Confident | 69.6 | Low | 8 Ų | 8 | 40.7 Ų | 40.7 | 6% | 0.056 | 25% | 0.253 | C | S | . | . | trans | -83.3 | -2.4 | -178.6 | 69 | 0 | 0 | 0 | 0 | 115.2 | Y74 G75 Q76 A227 R231 | Y74-S229 WeakPolarHBondContact OH-CB 3.01Å; G75-S229 WeakPolarHBondContact CA-OG 3.4Å; G75-S229 PolarHBondContact O-N 2.81Å; Q76-S229 PolarHBondContact N-OG 3.47Å; Q76-S229 VanDerWaalsContact N-OG 3.09Å; A227-S229 PolarHBondContact O-N 2.84Å; S229-R231 PolarHBondContact O-N 3.23Å | ||
| 230 | E | 72.2 | Confident | 66.9 | Low | 68 Ų | 68 | 44.5 Ų | 44.5 | 32% | 0.318 | 27% | 0.273 | S | S | . | . | trans | -56.5 | 136.1 | -178.5 | 59.2 | -83.7 | -168.5 | 0 | 0 | 112.4 | Q76 T77 G228 N249 E305 | Q76-E230 VanDerWaalsContact CA-OE2 3.25Å; Q76-E230 WeakPolarHBondContact CA-OE2 3.16Å; T77-E230 WeakPolarHBondContact CB-OE1 3.42Å; T77-E230 PolarHBondContact N-OE2 3.48Å; T77-E230 PolarHBondContact OG1-OE1 2.73Å; T77-E230 PolarHBondContact OG1-OE2 2.78Å; G228-E230 VanDerWaalsContact C-N 3.31Å; G228-E230 WeakPolarHBondContact CA-OE2 3.46Å; E230-N249 PolarHBondContact O-ND2 2.83Å; E230-E305 HydrophobicContact CB-CG 4.44Å | ||
| 231 | R | 61.2 | Low | 64.2 | Low | 151 Ų | 151 | 44.8 Ų | 44.8 | 57% | 0.57 | 27% | 0.271 | S | S | * | . | trans | -80.8 | 134.3 | 178.6 | -62.5 | -175.7 | -175.2 | -176.3 | 3.9 | 110.3 | S229 E233 E305 | S229-R231 PolarHBondContact O-N 3.23Å; R231-E233 PolarHBondContact O-N 3.24Å; R231-E305 PolarHBondContact N-OE1 2.92Å | ||
| 232 | A | 51.8 | Low | 61.8 | Low | 30 Ų | 30 | 48.6 Ų | 48.6 | 25% | 0.248 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -70.5 | -14.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S234 T235 N249 T647 | A232-S234 VanDerWaalsContact C-N 3.32Å; A232-S234 PolarHBondContact O-N 3.02Å; A232-T235 WeakPolarHBondContact O-CG2 3.46Å; A232-T235 PolarHBondContact O-OG1 2.58Å; A232-N249 PolarHBondContact N-ND2 2.9Å; A232-T647 PolarHBondContact O-OG1 2.72Å |
| 233 | E | 47.2 | Very low | 59.5 | Low | 128 Ų | 128 | 54 Ų | 54 | 60% | 0.598 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -77.9 | 1 | -166.6 | -76.3 | -175.1 | 169.8 | 0 | 0 | 116.2 | R231 T235 L242 | R231-E233 PolarHBondContact O-N 3.24Å; E233-T235 PolarHBondContact O-N 2.96Å; E233-L242 HydrophobicContact CG-CD1 4.36Å |
| 234 | S | 40.3 | Very low | 57 | Low | 74 Ų | 74 | 56.3 Ų | 56.3 | 52% | 0.517 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -69.8 | 9 | 170.5 | -48.3 | 0 | 0 | 0 | 0 | 113.6 | A232 E643 | A232-S234 VanDerWaalsContact C-N 3.32Å; A232-S234 PolarHBondContact O-N 3.02Å; S234-E643 WeakPolarHBondContact CB-OE2 3.47Å |
| 235 | T | 42.4 | Very low | 54.8 | Low | 25 Ų | 25 | 57.1 Ų | 57.1 | 15% | 0.153 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -100.1 | -1.5 | -169.8 | 54.3 | 0 | 0 | 0 | 0 | 116.9 | A232 E233 A237 E643 T647 | A232-T235 WeakPolarHBondContact O-CG2 3.46Å; A232-T235 PolarHBondContact O-OG1 2.58Å; E233-T235 PolarHBondContact O-N 2.96Å; T235-A237 PolarHBondContact O-N 2.83Å; T235-A237 VanDerWaalsContact O-N 3.16Å; T235-E643 VanDerWaalsContact CG2-C 3.42Å; T235-E643 HydrophobicContact CG2-CB 4.21Å; T235-E643 WeakPolarHBondContact CG2-O 3.38Å; T235-T647 VanDerWaalsContact CG2-CB 3.44Å; T235-T647 HydrophobicContact CG2-CG2 4.23Å; T235-T647 WeakPolarHBondContact CG2-OG1 3.33Å |
| 236 | G | 39.7 | Very low | 52.9 | Low | 72 Ų | 72 | 58.6 Ų | 58.6 | 74% | 0.742 | 35% | 0.347 | S | S | * | . | trans | 63.1 | 18.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 237 | A | 36.5 | Very low | 51 | Low | 32 Ų | 32 | 64.1 Ų | 64.1 | 26% | 0.264 | 37% | 0.371 | S | S | . | . | trans | -76.7 | 134.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | T235 R241 | T235-A237 PolarHBondContact O-N 2.83Å; T235-A237 VanDerWaalsContact O-N 3.16Å; A237-R241 HydrophobicContact CB-CB 4.1Å | ||
| 238 | T | 32.7 | Very low | 49.6 | Very low | 122 Ų | 122 | 67.2 Ų | 67.2 | 75% | 0.748 | 39% | 0.385 | S | S | * | . | trans | -116.4 | 160.1 | 174.6 | 52.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 239 | G | 48.4 | Very low | 48.6 | Very low | 50 Ų | 50 | 68.4 Ų | 68.4 | 52% | 0.515 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | -144.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | R241 L242 | G239-R241 PolarHBondContact O-N 3.2Å; G239-L242 WeakPolarHBondContact O-CB 3.38Å; G239-L242 PolarHBondContact O-N 2.88Å |
| 240 | D | 36.2 | Very low | 48.3 | Very low | 79 Ų | 79 | 74 Ų | 74 | 42% | 0.422 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.2 | -23.6 | -179.3 | -71.8 | -32.9 | 0 | 0 | 0 | 113.1 | L242 K243 E244 | D240-L242 VanDerWaalsContact C-N 3.3Å; D240-L242 PolarHBondContact O-N 3.3Å; D240-K243 WeakPolarHBondContact O-CB 3.41Å; D240-K243 PolarHBondContact O-N 3.35Å; D240-K243 VanDerWaalsContact O-N 3.1Å; D240-K243 WeakPolarHBondContact OD1-CD 3.42Å; D240-K243 WeakPolarHBondContact OD1-CE 3.12Å; D240-K243 IonicContact OD1-NZ 3.83Å; D240-K243 PolarHBondContact OD1-NZ 2.78Å; D240-E244 PolarHBondContact O-N 3.02Å |
| 241 | R | 35.2 | Very low | 48.9 | Very low | 39 Ų | 39 | 71.1 Ų | 71.1 | 15% | 0.147 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.2 | -33 | 171.8 | -69.7 | 179.4 | 170.8 | 145.3 | -0.1 | 113.2 | A237 G239 G245 R648 L651 E670 D672 W675 | A237-R241 HydrophobicContact CB-CB 4.1Å; G239-R241 PolarHBondContact O-N 3.2Å; R241-G245 PolarHBondContact O-N 2.98Å; R241-R648 VanDerWaalsContact NE-CZ 3.3Å; R241-R648 VanDerWaalsContact NH2-NH2 3.12Å; R241-L651 HydrophobicContact CG-CD1 4.5Å; R241-E670 PolarHBondContact NE-O 3.41Å; R241-E670 PolarHBondContact NH1-O 3.18Å; R241-E670 PolarHBondContact NH2-O 3.39Å; R241-D672 PolarHBondContact NH2-O 2.81Å; R241-W675 PolarHBondContact NH2-O 3.48Å; R241-W675 VanDerWaalsContact NH2-O 3.12Å |
| 242 | L | 43 | Very low | 50.1 | Low | 82 Ų | 82 | 64.5 Ų | 64.5 | 43% | 0.429 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -70.2 | -38.2 | 172.7 | -172.3 | 71.7 | 0 | 0 | 0 | 110.8 | E233 G239 D240 E244 A246 | E233-L242 HydrophobicContact CG-CD1 4.36Å; G239-L242 WeakPolarHBondContact O-CB 3.38Å; G239-L242 PolarHBondContact O-N 2.88Å; D240-L242 VanDerWaalsContact C-N 3.3Å; D240-L242 PolarHBondContact O-N 3.3Å; L242-E244 VanDerWaalsContact C-N 3.27Å; L242-E244 PolarHBondContact O-N 2.97Å; L242-A246 WeakPolarHBondContact O-CB 3.48Å; L242-A246 PolarHBondContact O-N 3.45Å |
| 243 | K | 44.8 | Very low | 51.7 | Low | 141 Ų | 141 | 66.1 Ų | 66.1 | 61% | 0.613 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -64.3 | -31.1 | 179.5 | -64.4 | 179.7 | -173.5 | 155.9 | 0 | 112.5 | D240 K247 | D240-K243 WeakPolarHBondContact O-CB 3.41Å; D240-K243 PolarHBondContact O-N 3.35Å; D240-K243 VanDerWaalsContact O-N 3.1Å; D240-K243 WeakPolarHBondContact OD1-CD 3.42Å; D240-K243 WeakPolarHBondContact OD1-CE 3.12Å; D240-K243 IonicContact OD1-NZ 3.83Å; D240-K243 PolarHBondContact OD1-NZ 2.78Å; K243-K247 PolarHBondContact O-N 3.05Å |
| 244 | E | 39.8 | Very low | 53.7 | Low | 49 Ų | 49 | 60.2 Ų | 60.2 | 23% | 0.229 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -85.7 | -44.3 | -178 | -166.1 | 160.3 | -143.6 | 0 | 0 | 113 | D240 L242 A246 K247 L651 K658 | D240-E244 PolarHBondContact O-N 3.02Å; L242-E244 VanDerWaalsContact C-N 3.27Å; L242-E244 PolarHBondContact O-N 2.97Å; E244-A246 PolarHBondContact O-N 3.19Å; E244-K247 WeakPolarHBondContact O-CB 3.38Å; E244-K247 PolarHBondContact O-N 2.76Å; E244-L651 HydrophobicContact CB-CD2 4.23Å; E244-L651 HydrophobicContact CG-CD2 3.89Å; E244-L651 WeakPolarHBondContact OE2-CD2 3.06Å; E244-K658 IonicContact OE1-NZ 2.73Å; E244-K658 PolarHBondContact OE1-NZ 3.35Å |
| 245 | G | 46.6 | Very low | 56.1 | Low | 17 Ų | 17 | 56.7 Ų | 56.7 | 18% | 0.175 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -57.9 | -34 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R241 K247 I248 N249 | R241-G245 PolarHBondContact O-N 2.98Å; G245-K247 VanDerWaalsContact C-N 3.28Å; G245-K247 PolarHBondContact O-N 3.42Å; G245-I248 PolarHBondContact O-N 2.96Å; G245-N249 PolarHBondContact O-N 2.83Å |
| 246 | A | 49.4 | Very low | 58.3 | Low | 48 Ų | 48 | 56 Ų | 56 | 40% | 0.397 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.6 | -25.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L242 E244 R250 | L242-A246 WeakPolarHBondContact O-CB 3.48Å; L242-A246 PolarHBondContact O-N 3.45Å; E244-A246 PolarHBondContact O-N 3.19Å; A246-R250 VanDerWaalsContact O-CA 3.29Å; A246-R250 WeakPolarHBondContact O-CA 3.5Å; A246-R250 VanDerWaalsContact O-CB 3.3Å; A246-R250 WeakPolarHBondContact O-CB 3.44Å; A246-R250 PolarHBondContact O-N 3.42Å |
| 247 | K | 52.7 | Low | 60.7 | Low | 119 Ų | 119 | 56.8 Ų | 56.8 | 52% | 0.517 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -70.9 | -40.4 | 176.7 | -75.1 | 178.8 | -176.6 | 172.8 | 0 | 112.1 | K243 E244 G245 R250 | K243-K247 PolarHBondContact O-N 3.05Å; E244-K247 WeakPolarHBondContact O-CB 3.38Å; E244-K247 PolarHBondContact O-N 2.76Å; G245-K247 VanDerWaalsContact C-N 3.28Å; G245-K247 PolarHBondContact O-N 3.42Å; K247-R250 WeakPolarHBondContact O-CB 3.46Å; K247-R250 PolarHBondContact O-N 3.1Å |
| 248 | I | 52.8 | Low | 63.4 | Low | 72 Ų | 72 | 55.3 Ų | 55.3 | 37% | 0.369 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.2 | -47.1 | 179.4 | -61.7 | 175.6 | 0 | 0 | 0 | 109.9 | G245 R250 | G245-I248 PolarHBondContact O-N 2.96Å; I248-R250 VanDerWaalsContact C-N 3.29Å; I248-R250 PolarHBondContact O-N 3.24Å |
| 249 | N | 63.7 | Low | 66.2 | Low | 30 Ų | 30 | 49.5 Ų | 49.5 | 16% | 0.16 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 7.5 | 178.6 | -74.7 | -12.3 | 0 | 0 | 0 | 113.8 | E230 A232 G245 S251 L252 S253 | E230-N249 PolarHBondContact O-ND2 2.83Å; A232-N249 PolarHBondContact N-ND2 2.9Å; G245-N249 PolarHBondContact O-N 2.83Å; N249-S251 VanDerWaalsContact C-N 3.34Å; N249-S251 PolarHBondContact O-N 3.44Å; N249-L252 PolarHBondContact O-N 2.83Å; N249-S253 WeakPolarHBondContact O-CB 3.2Å; N249-S253 PolarHBondContact O-N 2.93Å; N249-S253 PolarHBondContact O-OG 2.78Å |
| 250 | R | 77.1 | Confident | 68.2 | Low | 125 Ų | 125 | 48 Ų | 48 | 47% | 0.472 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.9 | -46.8 | -177.6 | -178.8 | 178.1 | 173.5 | 168 | 2.4 | 111.6 | A246 K247 I248 L252 S253 A254 D273 | A246-R250 VanDerWaalsContact O-CA 3.29Å; A246-R250 WeakPolarHBondContact O-CA 3.5Å; A246-R250 VanDerWaalsContact O-CB 3.3Å; A246-R250 WeakPolarHBondContact O-CB 3.44Å; A246-R250 PolarHBondContact O-N 3.42Å; K247-R250 WeakPolarHBondContact O-CB 3.46Å; K247-R250 PolarHBondContact O-N 3.1Å; I248-R250 VanDerWaalsContact C-N 3.29Å; I248-R250 PolarHBondContact O-N 3.24Å; R250-L252 PolarHBondContact O-N 2.85Å; R250-S253 PolarHBondContact O-N 3.21Å; R250-A254 WeakPolarHBondContact O-CB 3.43Å; R250-A254 PolarHBondContact O-N 3.24Å; R250-D273 PolarHBondContact NE-O 3.25Å; R250-D273 PolarHBondContact NH2-O 2.89Å |
| 251 | S | 86.1 | Confident | 70.9 | Confident | 9 Ų | 9 | 44.4 Ų | 44.4 | 6% | 0.063 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.5 | -46.8 | -178.4 | 53.5 | 0 | 0 | 0 | 0 | 112 | H196 N249 L255 | H196-S251 WeakPolarHBondContact NE2-CB 3.44Å; H196-S251 PolarHBondContact NE2-OG 3.26Å; N249-S251 VanDerWaalsContact C-N 3.34Å; N249-S251 PolarHBondContact O-N 3.44Å; S251-L255 WeakPolarHBondContact O-CB 3.18Å; S251-L255 PolarHBondContact O-N 2.86Å |
| 252 | L | 86.3 | Confident | 73.6 | Confident | 11 Ų | 11 | 43.6 Ų | 43.6 | 6% | 0.058 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -73.7 | -36.7 | 178.1 | -67.6 | -179.2 | 0 | 0 | 0 | 113 | Y74 L226 A227 G228 N249 R250 L255 G256 | Y74-L252 HydrophobicContact CD2-CD2 4.39Å; Y74-L252 HydrophobicContact CE2-CD2 4.11Å; L226-L252 HydrophobicContact CB-CD2 4.42Å; A227-L252 HydrophobicContact CB-CD1 4.45Å; G228-L252 WeakPolarHBondContact O-CD1 3.41Å; N249-L252 PolarHBondContact O-N 2.83Å; R250-L252 PolarHBondContact O-N 2.85Å; L252-L255 WeakPolarHBondContact O-CB 3.36Å; L252-L255 PolarHBondContact O-N 3.44Å; L252-G256 PolarHBondContact O-N 2.87Å |
| 253 | S | 84.8 | Confident | 75.8 | Confident | 65 Ų | 65 | 40.3 Ų | 40.3 | 46% | 0.455 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.8 | -44.4 | 175.4 | -59.2 | 0 | 0 | 0 | 0 | 111 | N249 R250 L255 G256 N257 | N249-S253 WeakPolarHBondContact O-CB 3.2Å; N249-S253 PolarHBondContact O-N 2.93Å; N249-S253 PolarHBondContact O-OG 2.78Å; R250-S253 PolarHBondContact O-N 3.21Å; S253-L255 VanDerWaalsContact C-N 3.3Å; S253-L255 PolarHBondContact O-N 2.77Å; S253-G256 PolarHBondContact O-N 3.21Å; S253-N257 PolarHBondContact O-N 3.25Å |
| 254 | A | 88.3 | Confident | 78 | Confident | 4 Ų | 4 | 39.3 Ų | 39.3 | 3% | 0.033 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60 | -41.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | R250 N257 V258 D273 T277 | R250-A254 WeakPolarHBondContact O-CB 3.43Å; R250-A254 PolarHBondContact O-N 3.24Å; A254-N257 PolarHBondContact O-N 2.81Å; A254-V258 WeakPolarHBondContact O-CG2 3.43Å; A254-V258 PolarHBondContact O-N 3.25Å; A254-D273 HydrophobicContact CB-CB 3.87Å; A254-T277 HydrophobicContact CB-CG2 4.01Å |
| 255 | L | 91.5 | Very high | 80.3 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.7 | -44 | 175 | -164.5 | 66.8 | 0 | 0 | 0 | 111.6 | L226 S251 L252 S253 N257 V258 I259 L276 T277 L280 L284 Y312 | L226-L255 HydrophobicContact CD1-CD2 3.9Å; S251-L255 WeakPolarHBondContact O-CB 3.18Å; S251-L255 PolarHBondContact O-N 2.86Å; L252-L255 WeakPolarHBondContact O-CB 3.36Å; L252-L255 PolarHBondContact O-N 3.44Å; S253-L255 VanDerWaalsContact C-N 3.3Å; S253-L255 PolarHBondContact O-N 2.77Å; L255-N257 VanDerWaalsContact C-N 3.32Å; L255-N257 PolarHBondContact O-N 2.73Å; L255-V258 PolarHBondContact O-N 3.07Å; L255-I259 WeakPolarHBondContact O-CG1 3.44Å; L255-I259 PolarHBondContact O-N 3.31Å; L255-L276 HydrophobicContact CD2-CD2 4.23Å; L255-T277 HydrophobicContact CB-CG2 4.08Å; L255-T277 HydrophobicContact CD1-CG2 3.84Å; L255-L280 HydrophobicContact CD1-CD1 3.74Å; L255-L280 HydrophobicContact CD2-CD1 4.32Å; L255-L284 HydrophobicContact CD1-CD1 3.4Å; L255-L284 VanDerWaalsContact CD1-CD1 3.4Å; L255-L284 HydrophobicContact CG-CD1 4.39Å; L255-Y312 WeakPolarHBondContact CD2-OH 3.49Å; L255-Y312 WeakPolarHBondContact CG-OH 3.27Å |
| 256 | G | 89.1 | Confident | 82.3 | Confident | 9 Ų | 9 | 47.7 Ų | 47.7 | 9% | 0.093 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.5 | -38.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L252 S253 S260 | L252-G256 PolarHBondContact O-N 2.87Å; S253-G256 PolarHBondContact O-N 3.21Å; G256-S260 WeakPolarHBondContact O-CB 3.44Å; G256-S260 PolarHBondContact O-N 3.4Å; G256-S260 PolarHBondContact O-OG 3.25Å |
| 257 | N | 89.9 | Confident | 84.1 | Confident | 90 Ų | 90 | 55.8 Ų | 55.8 | 48% | 0.481 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.4 | -42.3 | 174.9 | -70.5 | -17.2 | 0 | 0 | 0 | 111.9 | S253 A254 L255 S260 A261 P270 | S253-N257 PolarHBondContact O-N 3.25Å; A254-N257 PolarHBondContact O-N 2.81Å; L255-N257 VanDerWaalsContact C-N 3.32Å; L255-N257 PolarHBondContact O-N 2.73Å; N257-S260 PolarHBondContact O-N 2.87Å; N257-A261 VanDerWaalsContact O-CB 3.25Å; N257-A261 WeakPolarHBondContact O-CB 3.48Å; N257-A261 PolarHBondContact O-N 3.05Å; N257-P270 HydrophobicContact CB-CG 4.2Å |
| 258 | V | 92.8 | Very high | 85.9 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.2 | -47.2 | 174.5 | 166.3 | 0 | 0 | 0 | 0 | 110.8 | A254 L255 A261 L262 I269 P270 Y271 T277 L284 | A254-V258 WeakPolarHBondContact O-CG2 3.43Å; A254-V258 PolarHBondContact O-N 3.25Å; L255-V258 PolarHBondContact O-N 3.07Å; V258-A261 PolarHBondContact O-N 3.5Å; V258-L262 HydrophobicContact CG1-CD1 3.72Å; V258-L262 HydrophobicContact CG1-CG 4.43Å; V258-L262 WeakPolarHBondContact O-CB 3.31Å; V258-L262 VanDerWaalsContact O-CG 3.32Å; V258-L262 WeakPolarHBondContact O-CG 3.2Å; V258-L262 PolarHBondContact O-N 3.42Å; V258-I269 HydrophobicContact CB-CG2 4.39Å; V258-I269 HydrophobicContact CG1-CG2 3.85Å; V258-I269 HydrophobicContact CG2-CG2 4.29Å; V258-P270 HydrophobicContact CG2-CG 4Å; V258-Y271 HydrophobicContact CG1-CD1 3.86Å; V258-Y271 HydrophobicContact CG1-CE1 3.6Å; V258-Y271 HydrophobicContact CG2-CD1 4.23Å; V258-T277 HydrophobicContact CB-CG2 4.39Å; V258-T277 HydrophobicContact CG2-CG2 3.81Å; V258-L284 HydrophobicContact CG1-CD1 4.36Å |
| 259 | I | 91.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 178.7 | -72.8 | -178.5 | 0 | 0 | 0 | 111.3 | L255 A261 L262 A263 L284 Y312 R315 A316 I319 | L255-I259 WeakPolarHBondContact O-CG1 3.44Å; L255-I259 PolarHBondContact O-N 3.31Å; I259-A261 VanDerWaalsContact C-N 3.34Å; I259-A261 PolarHBondContact O-N 3.34Å; I259-L262 PolarHBondContact O-N 3.45Å; I259-A263 VanDerWaalsContact O-CB 3.31Å; I259-A263 WeakPolarHBondContact O-CB 3.48Å; I259-A263 PolarHBondContact O-N 2.93Å; I259-L284 HydrophobicContact CG1-CD1 4.29Å; I259-Y312 HydrophobicContact CD1-CD1 4.18Å; I259-Y312 HydrophobicContact CD1-CE1 3.28Å; I259-Y312 HydrophobicContact CD1-CE2 4.22Å; I259-Y312 WeakPolarHBondContact CD1-OH 3.46Å; I259-R315 HydrophobicContact CG2-CB 3.86Å; I259-A316 HydrophobicContact CD1-CB 4.06Å; I259-A316 HydrophobicContact CG2-CB 4.19Å; I259-I319 HydrophobicContact CB-CD1 4.19Å; I259-I319 HydrophobicContact CG1-CD1 3.9Å; I259-I319 HydrophobicContact CG2-CD1 4.09Å |
| 260 | S | 90.6 | Very high | 89.2 | Confident | 17 Ų | 17 | 54.3 Ų | 54.3 | 12% | 0.119 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 177.9 | -52.9 | 0 | 0 | 0 | 0 | 111.2 | G256 N257 L262 A263 E264 R315 | G256-S260 WeakPolarHBondContact O-CB 3.44Å; G256-S260 PolarHBondContact O-N 3.4Å; G256-S260 PolarHBondContact O-OG 3.25Å; N257-S260 PolarHBondContact O-N 2.87Å; S260-L262 VanDerWaalsContact C-N 3.34Å; S260-L262 PolarHBondContact O-N 3.33Å; S260-A263 PolarHBondContact O-N 3.31Å; S260-E264 VanDerWaalsContact O-CB 3.31Å; S260-E264 WeakPolarHBondContact O-CB 3.14Å; S260-E264 VanDerWaalsContact O-CG 3.27Å; S260-E264 WeakPolarHBondContact O-CG 3.27Å; S260-E264 PolarHBondContact O-N 3.47Å; S260-R315 PolarHBondContact OG-NH1 3.38Å |
| 261 | A | 92.6 | Very high | 89.9 | Confident | 4 Ų | 4 | 49.8 Ų | 49.8 | 3% | 0.033 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.6 | -38.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | N257 V258 I259 N265 K266 I269 | N257-A261 VanDerWaalsContact O-CB 3.25Å; N257-A261 WeakPolarHBondContact O-CB 3.48Å; N257-A261 PolarHBondContact O-N 3.05Å; V258-A261 PolarHBondContact O-N 3.5Å; I259-A261 VanDerWaalsContact C-N 3.34Å; I259-A261 PolarHBondContact O-N 3.34Å; A261-N265 PolarHBondContact O-N 2.87Å; A261-K266 HydrophobicContact CB-CB 4.17Å; A261-K266 HydrophobicContact CB-CD 3.98Å; A261-K266 HydrophobicContact CB-CG 4.39Å; A261-K266 WeakPolarHBondContact O-CB 3.05Å; A261-K266 PolarHBondContact O-N 3.07Å; A261-I269 HydrophobicContact CB-CD1 3.78Å |
| 262 | L | 92.4 | Very high | 90.1 | Very high | 23 Ų | 23 | 56.8 Ų | 56.8 | 12% | 0.12 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -71.1 | -44.2 | 176.9 | -75.1 | 168.2 | 0 | 0 | 0 | 112.3 | V258 I259 S260 E264 N265 I269 Y271 L284 I319 | V258-L262 HydrophobicContact CG1-CD1 3.72Å; V258-L262 HydrophobicContact CG1-CG 4.43Å; V258-L262 WeakPolarHBondContact O-CB 3.31Å; V258-L262 VanDerWaalsContact O-CG 3.32Å; V258-L262 WeakPolarHBondContact O-CG 3.2Å; V258-L262 PolarHBondContact O-N 3.42Å; I259-L262 PolarHBondContact O-N 3.45Å; S260-L262 VanDerWaalsContact C-N 3.34Å; S260-L262 PolarHBondContact O-N 3.33Å; L262-E264 VanDerWaalsContact C-N 3.28Å; L262-E264 PolarHBondContact O-N 3.33Å; L262-N265 PolarHBondContact O-N 2.98Å; L262-I269 HydrophobicContact CD1-CG2 4.43Å; L262-I269 HydrophobicContact CD2-CD1 3.8Å; L262-I269 HydrophobicContact CD2-CG1 3.84Å; L262-I269 HydrophobicContact CD2-CG2 4.22Å; L262-I269 HydrophobicContact CG-CD1 4.04Å; L262-I269 HydrophobicContact CG-CG1 4.35Å; L262-I269 HydrophobicContact CG-CG2 3.98Å; L262-Y271 HydrophobicContact CD1-CE1 4.45Å; L262-L284 HydrophobicContact CD1-CB 3.84Å; L262-L284 WeakPolarHBondContact CD1-O 3.46Å; L262-I319 HydrophobicContact CB-CD1 3.93Å; L262-I319 HydrophobicContact CB-CG1 3.8Å; L262-I319 HydrophobicContact CB-CG2 4.19Å; L262-I319 HydrophobicContact CD1-CD1 4.01Å; L262-I319 HydrophobicContact CD1-CG2 4.16Å |
| 263 | A | 89.7 | Confident | 90.2 | Very high | 13 Ų | 13 | 59.7 Ų | 59.7 | 11% | 0.107 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.9 | -38.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I259 S260 N265 Q318 | I259-A263 VanDerWaalsContact O-CB 3.31Å; I259-A263 WeakPolarHBondContact O-CB 3.48Å; I259-A263 PolarHBondContact O-N 2.93Å; S260-A263 PolarHBondContact O-N 3.31Å; A263-N265 PolarHBondContact O-N 3.39Å; A263-Q318 HydrophobicContact CB-CB 4.14Å |
| 264 | E | 90.2 | Very high | 90.6 | Very high | 119 Ų | 119 | 56.7 Ų | 56.7 | 56% | 0.556 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | 2.7 | 175.8 | -67 | 168.6 | -159.3 | 0 | 0 | 113.7 | S260 L262 K266 | S260-E264 VanDerWaalsContact O-CB 3.31Å; S260-E264 WeakPolarHBondContact O-CB 3.14Å; S260-E264 VanDerWaalsContact O-CG 3.27Å; S260-E264 WeakPolarHBondContact O-CG 3.27Å; S260-E264 PolarHBondContact O-N 3.47Å; L262-E264 VanDerWaalsContact C-N 3.28Å; L262-E264 PolarHBondContact O-N 3.33Å; E264-K266 VanDerWaalsContact C-N 3.27Å; E264-K266 HydrophobicContact CB-CG 4.25Å; E264-K266 PolarHBondContact O-N 2.94Å; E264-K266 WeakPolarHBondContact OE2-CE 3.04Å; E264-K266 IonicContact OE2-NZ 2.75Å; E264-K266 PolarHBondContact OE2-NZ 3.49Å |
| 265 | N | 88.2 | Confident | 90.7 | Very high | 135 Ų | 135 | 57.6 Ų | 57.6 | 72% | 0.722 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 40.9 | -176.5 | -62.1 | -75.6 | 0 | 0 | 0 | 113.9 | A261 L262 A263 | A261-N265 PolarHBondContact O-N 2.87Å; L262-N265 PolarHBondContact O-N 2.98Å; A263-N265 PolarHBondContact O-N 3.39Å |
| 266 | K | 89.3 | Confident | 90.8 | Very high | 108 Ų | 108 | 57.6 Ų | 57.6 | 47% | 0.47 | 29% | 0.286 | S | S | . | . | trans | -64.3 | 145.8 | 175.7 | -70 | -173.1 | 175.9 | 145.8 | 0 | 111 | A261 E264 I269 | A261-K266 HydrophobicContact CB-CB 4.17Å; A261-K266 HydrophobicContact CB-CD 3.98Å; A261-K266 HydrophobicContact CB-CG 4.39Å; A261-K266 WeakPolarHBondContact O-CB 3.05Å; A261-K266 PolarHBondContact O-N 3.07Å; E264-K266 VanDerWaalsContact C-N 3.27Å; E264-K266 HydrophobicContact CB-CG 4.25Å; E264-K266 PolarHBondContact O-N 2.94Å; E264-K266 WeakPolarHBondContact OE2-CE 3.04Å; E264-K266 IonicContact OE2-NZ 2.75Å; E264-K266 PolarHBondContact OE2-NZ 3.49Å; K266-I269 HydrophobicContact CB-CD1 4.27Å; K266-I269 VanDerWaalsContact O-CD1 3.24Å; K266-I269 WeakPolarHBondContact O-CD1 3.46Å | ||
| 267 | K | 86.6 | Confident | 90.9 | Very high | 217 Ų | 217 | 57.2 Ų | 57.2 | 94% | 0.943 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -68.1 | -34.7 | 177.6 | -66.5 | -174.8 | -179.9 | -179.4 | 0 | 113.3 | ||
| 268 | V | 90.3 | Very high | 91.1 | Very high | 123 Ų | 123 | 55.4 Ų | 55.4 | 75% | 0.745 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -110.5 | 114.6 | -179.6 | -178 | 0 | 0 | 0 | 0 | 108.2 | ||
| 269 | I | 92.8 | Very high | 91.1 | Very high | 36 Ų | 36 | 56.8 Ų | 56.8 | 19% | 0.185 | 28% | 0.277 | C | S | . | . | trans | -101.9 | 125.3 | 177.6 | -50.4 | -58.3 | 0 | 0 | 0 | 109 | V258 A261 L262 K266 Y271 | V258-I269 HydrophobicContact CB-CG2 4.39Å; V258-I269 HydrophobicContact CG1-CG2 3.85Å; V258-I269 HydrophobicContact CG2-CG2 4.29Å; A261-I269 HydrophobicContact CB-CD1 3.78Å; L262-I269 HydrophobicContact CD1-CG2 4.43Å; L262-I269 HydrophobicContact CD2-CD1 3.8Å; L262-I269 HydrophobicContact CD2-CG1 3.84Å; L262-I269 HydrophobicContact CD2-CG2 4.22Å; L262-I269 HydrophobicContact CG-CD1 4.04Å; L262-I269 HydrophobicContact CG-CG1 4.35Å; L262-I269 HydrophobicContact CG-CG2 3.98Å; K266-I269 HydrophobicContact CB-CD1 4.27Å; K266-I269 VanDerWaalsContact O-CD1 3.24Å; K266-I269 WeakPolarHBondContact O-CD1 3.46Å; I269-Y271 HydrophobicContact CB-CD2 3.79Å; I269-Y271 HydrophobicContact CB-CE2 3.41Å; I269-Y271 VanDerWaalsContact CB-CE2 3.41Å; I269-Y271 HydrophobicContact CG1-CE2 4.14Å; I269-Y271 HydrophobicContact CG2-CD1 4.21Å; I269-Y271 HydrophobicContact CG2-CD2 3.7Å; I269-Y271 HydrophobicContact CG2-CE1 3.86Å; I269-Y271 HydrophobicContact CG2-CE2 3.32Å; I269-Y271 HydrophobicContact CG2-CG 4.13Å; I269-Y271 VanDerWaalsContact CG2-CZ 3.4Å; I269-Y271 PolarHBondContact O-N 2.97Å | ||
| 270 | P | 92.7 | Very high | 91.1 | Very high | 32 Ų | 32 | 57 Ų | 57 | 21% | 0.208 | 28% | 0.278 | C | S | . | . | trans | -80.5 | 48.6 | -171.1 | 33.2 | -36.9 | 0 | 0 | 0 | 113.9 | N257 V258 R272 D273 | N257-P270 HydrophobicContact CB-CG 4.2Å; V258-P270 HydrophobicContact CG2-CG 4Å; P270-R272 PolarHBondContact O-N 3.37Å; P270-D273 WeakPolarHBondContact CB-OD2 3.41Å; P270-D273 PolarHBondContact O-N 3.36Å | ||
| 271 | Y | 92.7 | Very high | 91.1 | Very high | 29 Ų | 29 | 58.4 Ų | 58.4 | 11% | 0.114 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -16.5 | 179.2 | -63.3 | -73.3 | 0 | 0 | 0 | 114.3 | V258 L262 I269 T277 K278 Q281 L284 | V258-Y271 HydrophobicContact CG1-CD1 3.86Å; V258-Y271 HydrophobicContact CG1-CE1 3.6Å; V258-Y271 HydrophobicContact CG2-CD1 4.23Å; L262-Y271 HydrophobicContact CD1-CE1 4.45Å; I269-Y271 HydrophobicContact CB-CD2 3.79Å; I269-Y271 HydrophobicContact CB-CE2 3.41Å; I269-Y271 VanDerWaalsContact CB-CE2 3.41Å; I269-Y271 HydrophobicContact CG1-CE2 4.14Å; I269-Y271 HydrophobicContact CG2-CD1 4.21Å; I269-Y271 HydrophobicContact CG2-CD2 3.7Å; I269-Y271 HydrophobicContact CG2-CE1 3.86Å; I269-Y271 HydrophobicContact CG2-CE2 3.32Å; I269-Y271 HydrophobicContact CG2-CG 4.13Å; I269-Y271 VanDerWaalsContact CG2-CZ 3.4Å; I269-Y271 PolarHBondContact O-N 2.97Å; Y271-T277 CarbonylContact O-C 3.52Å; Y271-T277 PolarHBondContact O-OG1 2.77Å; Y271-K278 WeakPolarHBondContact O-CA 3.23Å; Y271-K278 WeakPolarHBondContact O-CG 3.43Å; Y271-K278 PolarHBondContact O-N 2.93Å; Y271-Q281 HydrophobicContact CD1-CB 3.97Å; Y271-Q281 HydrophobicContact CD1-CG 4.03Å; Y271-Q281 HydrophobicContact CD2-CG 4.16Å; Y271-Q281 HydrophobicContact CE1-CB 4.23Å; Y271-Q281 HydrophobicContact CE1-CG 4.06Å; Y271-Q281 HydrophobicContact CE2-CG 4.16Å; Y271-Q281 HydrophobicContact CG-CB 4.3Å; Y271-Q281 HydrophobicContact CG-CG 4.07Å; Y271-L284 VanDerWaalsContact CE1-O 3.28Å; Y271-L284 WeakPolarHBondContact CE1-O 3.31Å; Y271-L284 VanDerWaalsContact CZ-O 3.31Å; Y271-L284 PolarHBondContact OH-O 2.97Å |
| 272 | R | 90.8 | Very high | 90.8 | Very high | 156 Ų | 156 | 61.1 Ų | 61.1 | 59% | 0.589 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -7.6 | -174.5 | -71.3 | -169.4 | 170.3 | 100.8 | -0.8 | 113.6 | F154 P270 S274 K278 | F154-R272 HydrophobicContact CZ-CG 4.25Å; P270-R272 PolarHBondContact O-N 3.37Å; R272-S274 VanDerWaalsContact C-N 3.28Å; R272-S274 PolarHBondContact O-N 2.99Å; R272-K278 WeakPolarHBondContact O-CE 3.31Å |
| 273 | D | 88.4 | Confident | 90.6 | Very high | 73 Ų | 73 | 60 Ų | 60 | 39% | 0.39 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -71 | -23.8 | -171.4 | -72.4 | 5.6 | 0 | 0 | 0 | 113.3 | R250 A254 P270 | R250-D273 PolarHBondContact NE-O 3.25Å; R250-D273 PolarHBondContact NH2-O 2.89Å; A254-D273 HydrophobicContact CB-CB 3.87Å; P270-D273 WeakPolarHBondContact CB-OD2 3.41Å; P270-D273 PolarHBondContact O-N 3.36Å |
| 274 | S | 91.8 | Very high | 90.5 | Very high | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.007 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -141.3 | 159.4 | 173.4 | 70.5 | 0 | 0 | 0 | 0 | 112.7 | E128 R272 L276 T277 K278 | E128-S274 WeakPolarHBondContact OE2-CA 3.28Å; R272-S274 VanDerWaalsContact C-N 3.28Å; R272-S274 PolarHBondContact O-N 2.99Å; S274-L276 VanDerWaalsContact C-N 3.31Å; S274-T277 PolarHBondContact N-OG1 2.9Å; S274-T277 PolarHBondContact O-OG1 3.4Å; S274-T277 WeakPolarHBondContact OG-CB 3.36Å; S274-T277 WeakPolarHBondContact OG-CG2 3.29Å; S274-T277 PolarHBondContact OG-N 2.91Å; S274-T277 VanDerWaalsContact OG-N 3.1Å; S274-T277 PolarHBondContact OG-OG1 2.77Å; S274-K278 WeakPolarHBondContact O-CG 3.22Å; S274-K278 PolarHBondContact O-N 3.07Å |
| 275 | I | 92.1 | Very high | 90.3 | Very high | 23 Ų | 23 | 55.4 Ų | 55.4 | 12% | 0.118 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.4 | -44.9 | 171.2 | -71.1 | -176.7 | 0 | 0 | 0 | 110.7 | I125 E128 I130 I146 T277 K278 L279 | I125-I275 HydrophobicContact CD1-CG2 3.88Å; I125-I275 HydrophobicContact CG1-CG2 4.2Å; I125-I275 HydrophobicContact CG2-CB 4.48Å; I125-I275 HydrophobicContact CG2-CG2 4.07Å; E128-I275 HydrophobicContact CB-CD1 4.29Å; E128-I275 WeakPolarHBondContact O-CD1 3.46Å; E128-I275 WeakPolarHBondContact OE2-CG1 3.23Å; E128-I275 PolarHBondContact OE2-N 3.12Å; I130-I275 HydrophobicContact CD1-CD1 4.28Å; I130-I275 HydrophobicContact CD1-CG2 3.73Å; I130-I275 HydrophobicContact CG1-CD1 4.03Å; I130-I275 HydrophobicContact CG1-CG2 3.69Å; I146-I275 HydrophobicContact CD1-CB 3.87Å; I146-I275 HydrophobicContact CD1-CG1 3.94Å; I146-I275 HydrophobicContact CD1-CG2 3.31Å; I275-T277 PolarHBondContact O-N 3.49Å; I275-K278 WeakPolarHBondContact O-CB 3.44Å; I275-K278 PolarHBondContact O-N 3.22Å; I275-L279 HydrophobicContact CG2-CD1 3.98Å; I275-L279 WeakPolarHBondContact O-CG 3.34Å; I275-L279 PolarHBondContact O-N 3.43Å; I275-L279 VanDerWaalsContact O-N 3.1Å |
| 276 | L | 92 | Very high | 90.2 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58 | -47.3 | -179.8 | 179.2 | 67.4 | 0 | 0 | 0 | 111.7 | I125 H196 I198 L226 L255 S274 K278 L279 L280 | I125-L276 HydrophobicContact CD1-CB 4.38Å; I125-L276 HydrophobicContact CD1-CD1 4.12Å; H196-L276 HydrophobicContact CB-CD1 4.24Å; I198-L276 HydrophobicContact CD1-CD1 4.21Å; L226-L276 HydrophobicContact CD2-CD1 3.89Å; L226-L276 HydrophobicContact CD2-CD2 3.76Å; L226-L276 HydrophobicContact CD2-CG 4.4Å; L255-L276 HydrophobicContact CD2-CD2 4.23Å; S274-L276 VanDerWaalsContact C-N 3.31Å; L276-K278 VanDerWaalsContact C-N 3.35Å; L276-K278 PolarHBondContact O-N 3.12Å; L276-L279 PolarHBondContact O-N 2.82Å; L276-L280 HydrophobicContact CD1-CD1 3.79Å; L276-L280 HydrophobicContact CD1-CG 4.15Å; L276-L280 HydrophobicContact CG-CD1 3.88Å; L276-L280 HydrophobicContact CG-CG 4.45Å; L276-L280 WeakPolarHBondContact O-CB 3.2Å; L276-L280 WeakPolarHBondContact O-CG 3.3Å; L276-L280 PolarHBondContact O-N 2.83Å |
| 277 | T | 92.5 | Very high | 90.2 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.7 | -31.7 | -179.2 | 49.7 | 0 | 0 | 0 | 0 | 113.1 | A254 L255 V258 Y271 S274 I275 Q281 | A254-T277 HydrophobicContact CB-CG2 4.01Å; L255-T277 HydrophobicContact CB-CG2 4.08Å; L255-T277 HydrophobicContact CD1-CG2 3.84Å; V258-T277 HydrophobicContact CB-CG2 4.39Å; V258-T277 HydrophobicContact CG2-CG2 3.81Å; Y271-T277 CarbonylContact O-C 3.52Å; Y271-T277 PolarHBondContact O-OG1 2.77Å; S274-T277 PolarHBondContact N-OG1 2.9Å; S274-T277 PolarHBondContact O-OG1 3.4Å; S274-T277 WeakPolarHBondContact OG-CB 3.36Å; S274-T277 WeakPolarHBondContact OG-CG2 3.29Å; S274-T277 PolarHBondContact OG-N 2.91Å; S274-T277 VanDerWaalsContact OG-N 3.1Å; S274-T277 PolarHBondContact OG-OG1 2.77Å; I275-T277 PolarHBondContact O-N 3.49Å; T277-Q281 PolarHBondContact O-N 3.15Å; T277-Q281 VanDerWaalsContact O-N 3.16Å |
| 278 | K | 93.2 | Very high | 90.5 | Very high | 53 Ų | 53 | 36 Ų | 36 | 23% | 0.23 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.4 | -47.9 | 170 | -71.1 | 174.2 | -171.4 | 168.9 | 0 | 110.9 | I146 F154 Y271 R272 S274 I275 L276 Q281 | I146-K278 HydrophobicContact CG2-CD 4.19Å; F154-K278 HydrophobicContact CB-CB 4.12Å; F154-K278 WeakPolarHBondContact CB-O 3.32Å; F154-K278 HydrophobicContact CD1-CB 4.06Å; F154-K278 HydrophobicContact CD1-CD 4.24Å; F154-K278 HydrophobicContact CD1-CG 4.22Å; F154-K278 HydrophobicContact CD2-CB 3.89Å; F154-K278 HydrophobicContact CD2-CG 4.33Å; F154-K278 VanDerWaalsContact CD2-O 3.28Å; F154-K278 WeakPolarHBondContact CD2-O 3.24Å; F154-K278 HydrophobicContact CE1-CB 4.46Å; F154-K278 HydrophobicContact CE1-CD 4.13Å; F154-K278 HydrophobicContact CE1-CG 4.15Å; F154-K278 HydrophobicContact CE2-CB 4.31Å; F154-K278 HydrophobicContact CE2-CG 4.26Å; F154-K278 HydrophobicContact CG-CB 3.75Å; F154-K278 HydrophobicContact CG-CG 4.31Å; F154-K278 HydrophobicContact CZ-CG 4.17Å; Y271-K278 WeakPolarHBondContact O-CA 3.23Å; Y271-K278 WeakPolarHBondContact O-CG 3.43Å; Y271-K278 PolarHBondContact O-N 2.93Å; R272-K278 WeakPolarHBondContact O-CE 3.31Å; S274-K278 WeakPolarHBondContact O-CG 3.22Å; S274-K278 PolarHBondContact O-N 3.07Å; I275-K278 WeakPolarHBondContact O-CB 3.44Å; I275-K278 PolarHBondContact O-N 3.22Å; L276-K278 VanDerWaalsContact C-N 3.35Å; L276-K278 PolarHBondContact O-N 3.12Å; K278-Q281 VanDerWaalsContact O-CB 3.28Å; K278-Q281 WeakPolarHBondContact O-CB 3.47Å; K278-Q281 PolarHBondContact O-N 3.02Å |
| 279 | L | 92.6 | Very high | 90.5 | Very high | 29 Ų | 29 | 33.6 Ų | 33.6 | 15% | 0.152 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -72 | -32.9 | -177.4 | -65.9 | 170.2 | 0 | 0 | 0 | 112.6 | M123 I125 I146 V156 I198 I275 L276 Q281 | M123-L279 HydrophobicContact CE-CD1 3.76Å; M123-L279 HydrophobicContact SD-CD1 4.42Å; I125-L279 HydrophobicContact CD1-CD1 3.74Å; I146-L279 HydrophobicContact CD1-CD1 4.12Å; I146-L279 HydrophobicContact CD1-CD2 4.21Å; I146-L279 HydrophobicContact CD1-CG 3.98Å; I146-L279 HydrophobicContact CG1-CD2 4.38Å; V156-L279 HydrophobicContact CG2-CD1 4.22Å; V156-L279 HydrophobicContact CG2-CD2 3.78Å; I198-L279 HydrophobicContact CD1-CD1 4.33Å; I275-L279 HydrophobicContact CG2-CD1 3.98Å; I275-L279 WeakPolarHBondContact O-CG 3.34Å; I275-L279 PolarHBondContact O-N 3.43Å; I275-L279 VanDerWaalsContact O-N 3.1Å; L276-L279 PolarHBondContact O-N 2.82Å; L279-Q281 VanDerWaalsContact C-N 3.29Å; L279-Q281 PolarHBondContact O-N 3.48Å |
| 280 | L | 91.5 | Very high | 90.6 | Very high | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.026 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 3.6 | 175.8 | -67.6 | -178.8 | 0 | 0 | 0 | 114.1 | V224 L255 L276 N282 A283 L284 | V224-L280 HydrophobicContact CG2-CD2 4.08Å; L255-L280 HydrophobicContact CD1-CD1 3.74Å; L255-L280 HydrophobicContact CD2-CD1 4.32Å; L276-L280 HydrophobicContact CD1-CD1 3.79Å; L276-L280 HydrophobicContact CD1-CG 4.15Å; L276-L280 HydrophobicContact CG-CD1 3.88Å; L276-L280 HydrophobicContact CG-CG 4.45Å; L276-L280 WeakPolarHBondContact O-CB 3.2Å; L276-L280 WeakPolarHBondContact O-CG 3.3Å; L276-L280 PolarHBondContact O-N 2.83Å; L280-N282 VanDerWaalsContact C-N 3.27Å; L280-N282 PolarHBondContact O-N 2.62Å; L280-A283 HydrophobicContact CB-CB 4.44Å; L280-A283 HydrophobicContact CD2-CB 4.15Å; L280-A283 CarbonylContact O-C 3.6Å; L280-A283 WeakPolarHBondContact O-CA 3.2Å; L280-A283 WeakPolarHBondContact O-CB 3.48Å; L280-A283 PolarHBondContact O-N 3.04Å; L280-L284 HydrophobicContact CB-CD1 4.32Å; L280-L284 PolarHBondContact O-N 2.92Å |
| 281 | Q | 90.6 | Very high | 90.6 | Very high | 46 Ų | 46 | 34.3 Ų | 34.3 | 22% | 0.215 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -42.5 | -179.8 | 179.2 | 178.1 | 54.4 | 0 | 0 | 112.5 | F154 Y271 T277 K278 L279 A283 L284 | F154-Q281 HydrophobicContact CD2-CB 4.41Å; F154-Q281 VanDerWaalsContact CD2-OE1 3.26Å; Y271-Q281 HydrophobicContact CD1-CB 3.97Å; Y271-Q281 HydrophobicContact CD1-CG 4.03Å; Y271-Q281 HydrophobicContact CD2-CG 4.16Å; Y271-Q281 HydrophobicContact CE1-CB 4.23Å; Y271-Q281 HydrophobicContact CE1-CG 4.06Å; Y271-Q281 HydrophobicContact CE2-CG 4.16Å; Y271-Q281 HydrophobicContact CG-CB 4.3Å; Y271-Q281 HydrophobicContact CG-CG 4.07Å; T277-Q281 PolarHBondContact O-N 3.15Å; T277-Q281 VanDerWaalsContact O-N 3.16Å; K278-Q281 VanDerWaalsContact O-CB 3.28Å; K278-Q281 WeakPolarHBondContact O-CB 3.47Å; K278-Q281 PolarHBondContact O-N 3.02Å; L279-Q281 VanDerWaalsContact C-N 3.29Å; L279-Q281 PolarHBondContact O-N 3.48Å; Q281-A283 VanDerWaalsContact C-N 3.29Å; Q281-A283 PolarHBondContact O-N 2.7Å; Q281-L284 CarbonylContact O-C 3.52Å; Q281-L284 PolarHBondContact O-N 3.11Å |
| 282 | N | 86.7 | Confident | 90.7 | Very high | 62 Ų | 62 | 35 Ų | 35 | 33% | 0.332 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -29.7 | 177.4 | -74.4 | -27.3 | 0 | 0 | 0 | 112.3 | Q152 L280 G286 N287 S288 | Q152-N282 PolarHBondContact O-ND2 3.27Å; L280-N282 VanDerWaalsContact C-N 3.27Å; L280-N282 PolarHBondContact O-N 2.62Å; N282-G286 CarbonylContact O-C 3.54Å; N282-G286 VanDerWaalsContact O-C 3.31Å; N282-G286 WeakPolarHBondContact O-CA 3.48Å; N282-N287 PolarHBondContact O-N 2.94Å; N282-S288 WeakPolarHBondContact O-CB 3.4Å; N282-S288 PolarHBondContact O-N 2.87Å |
| 283 | A | 87.3 | Confident | 90.9 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -31.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S70 L280 Q281 T290 N321 | S70-A283 WeakPolarHBondContact OG-CB 3.29Å; L280-A283 HydrophobicContact CB-CB 4.44Å; L280-A283 HydrophobicContact CD2-CB 4.15Å; L280-A283 CarbonylContact O-C 3.6Å; L280-A283 WeakPolarHBondContact O-CA 3.2Å; L280-A283 WeakPolarHBondContact O-CB 3.48Å; L280-A283 PolarHBondContact O-N 3.04Å; Q281-A283 VanDerWaalsContact C-N 3.29Å; Q281-A283 PolarHBondContact O-N 2.7Å; A283-T290 HydrophobicContact CB-CG2 4.44Å; A283-T290 VanDerWaalsContact O-CB 3.32Å; A283-T290 WeakPolarHBondContact O-CB 3.41Å; A283-T290 WeakPolarHBondContact O-CG2 3.3Å; A283-T290 PolarHBondContact O-OG1 3.16Å; A283-N321 PolarHBondContact O-ND2 3.36Å |
| 284 | L | 88.6 | Confident | 91.2 | Very high | 7 Ų | 7 | 26.8 Ų | 26.8 | 4% | 0.037 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -119.1 | 93.9 | -173.9 | -63.6 | 174.1 | 0 | 0 | 0 | 110.1 | F72 L255 V258 I259 L262 Y271 L280 Q281 I319 | F72-L284 HydrophobicContact CE1-CD2 4.02Å; F72-L284 HydrophobicContact CZ-CD2 3.96Å; L255-L284 HydrophobicContact CD1-CD1 3.4Å; L255-L284 VanDerWaalsContact CD1-CD1 3.4Å; L255-L284 HydrophobicContact CG-CD1 4.39Å; V258-L284 HydrophobicContact CG1-CD1 4.36Å; I259-L284 HydrophobicContact CG1-CD1 4.29Å; L262-L284 HydrophobicContact CD1-CB 3.84Å; L262-L284 WeakPolarHBondContact CD1-O 3.46Å; Y271-L284 VanDerWaalsContact CE1-O 3.28Å; Y271-L284 WeakPolarHBondContact CE1-O 3.31Å; Y271-L284 VanDerWaalsContact CZ-O 3.31Å; Y271-L284 PolarHBondContact OH-O 2.97Å; L280-L284 HydrophobicContact CB-CD1 4.32Å; L280-L284 PolarHBondContact O-N 2.92Å; Q281-L284 CarbonylContact O-C 3.52Å; Q281-L284 PolarHBondContact O-N 3.11Å; L284-I319 HydrophobicContact CD2-CD1 4.22Å |
| 285 | G | 85.2 | Confident | 91.4 | Very high | 27 Ų | 27 | 27.1 Ų | 27.1 | 28% | 0.278 | 16% | 0.155 | S | C | . | . | S | Bend | trans | 90.4 | -0.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | N321 | G285-N321 VanDerWaalsContact CA-OD1 3.25Å; G285-N321 WeakPolarHBondContact CA-OD1 3.3Å; G285-N321 PolarHBondContact N-OD1 2.65Å |
| 286 | G | 87.2 | Confident | 91.5 | Very high | 16 Ų | 16 | 29.3 Ų | 29.3 | 17% | 0.165 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -107.3 | -155.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | N282 S288 N321 T322 | N282-G286 CarbonylContact O-C 3.54Å; N282-G286 VanDerWaalsContact O-C 3.31Å; N282-G286 WeakPolarHBondContact O-CA 3.48Å; G286-S288 PolarHBondContact O-N 2.97Å; G286-N321 WeakPolarHBondContact O-CB 3.45Å; G286-T322 PolarHBondContact O-N 3.37Å |
| 287 | N | 89.1 | Confident | 91.4 | Very high | 36 Ų | 36 | 30.3 Ų | 30.3 | 19% | 0.193 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -88.6 | 72.9 | 178.9 | -177.7 | 21 | 0 | 0 | 0 | 111.8 | S68 N282 T322 V323 A324 N326 | S68-N287 WeakPolarHBondContact CB-O 3.37Å; N282-N287 PolarHBondContact O-N 2.94Å; N287-T322 WeakPolarHBondContact CA-O 3.3Å; N287-V323 WeakPolarHBondContact OD1-CA 3.48Å; N287-A324 PolarHBondContact OD1-N 2.85Å; N287-A324 PolarHBondContact OD1-O 3.42Å; N287-N326 PolarHBondContact ND2-OD1 2.65Å |
| 288 | S | 91.5 | Very high | 91.2 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.007 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -154.1 | 138.4 | 172.7 | -175.8 | 0 | 0 | 0 | 0 | 110.2 | S68 C69 S70 N282 G286 T290 N321 | S68-S288 CarbonylContact O-C 3.57Å; S68-S288 WeakPolarHBondContact O-CA 3.39Å; C69-S288 VanDerWaalsContact C-OG 3.31Å; S70-S288 WeakPolarHBondContact CB-OG 3.43Å; S70-S288 PolarHBondContact N-OG 3.16Å; S70-S288 PolarHBondContact OG-OG 2.76Å; N282-S288 WeakPolarHBondContact O-CB 3.4Å; N282-S288 PolarHBondContact O-N 2.87Å; G286-S288 PolarHBondContact O-N 2.97Å; S288-T290 PolarHBondContact O-OG1 3.13Å; S288-N321 PolarHBondContact O-ND2 2.97Å |
| 289 | K | 92.1 | Very high | 90.7 | Very high | 72 Ų | 72 | 32.8 Ų | 32.8 | 31% | 0.313 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 123.6 | 161.1 | -66.5 | -172.1 | 176.6 | -166.6 | 0 | 107.7 | N62 S68 C69 S70 V323 | N62-K289 HydrophobicContact CB-CD 3.98Å; N62-K289 VanDerWaalsContact ND2-CD 3.28Å; N62-K289 WeakPolarHBondContact ND2-CD 3.42Å; N62-K289 WeakPolarHBondContact OD1-CD 3.28Å; N62-K289 WeakPolarHBondContact OD1-CE 3.37Å; N62-K289 PolarHBondContact OD1-NZ 2.97Å; S68-K289 PolarHBondContact O-N 3.26Å; C69-K289 CarbonylContact C-O 3.5Å; C69-K289 VanDerWaalsContact CA-O 3.24Å; C69-K289 WeakPolarHBondContact CA-O 3.28Å; S70-K289 PolarHBondContact N-O 2.97Å; K289-V323 HydrophobicContact CG-CB 4.49Å; K289-V323 HydrophobicContact CG-CG1 3.89Å; K289-V323 HydrophobicContact CG-CG2 4.01Å |
| 290 | T | 93.2 | Very high | 90.2 | Very high | 46 Ų | 46 | 35.5 Ų | 35.5 | 28% | 0.282 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 128.9 | -167 | -63.1 | 0 | 0 | 0 | 0 | 110.5 | S70 F72 A283 S288 N321 | S70-T290 CarbonylContact O-C 3.55Å; S70-T290 VanDerWaalsContact O-CA 3.3Å; S70-T290 WeakPolarHBondContact O-CA 3.48Å; F72-T290 HydrophobicContact CD1-CG2 4.06Å; F72-T290 HydrophobicContact CE1-CG2 3.43Å; F72-T290 VanDerWaalsContact CE1-CG2 3.43Å; F72-T290 HydrophobicContact CZ-CG2 4.39Å; A283-T290 HydrophobicContact CB-CG2 4.44Å; A283-T290 VanDerWaalsContact O-CB 3.32Å; A283-T290 WeakPolarHBondContact O-CB 3.41Å; A283-T290 WeakPolarHBondContact O-CG2 3.3Å; A283-T290 PolarHBondContact O-OG1 3.16Å; S288-T290 PolarHBondContact O-OG1 3.13Å; T290-N321 PolarHBondContact OG1-ND2 2.91Å |
| 291 | V | 93.9 | Very high | 89.5 | Confident | 37 Ų | 37 | 39.5 Ų | 39.5 | 22% | 0.224 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 130.4 | 175.2 | 178.1 | 0 | 0 | 0 | 0 | 107.7 | L55 L59 S70 L71 F72 | L55-V291 HydrophobicContact CD1-CG1 4.29Å; L55-V291 HydrophobicContact CD2-CG1 4.28Å; L59-V291 HydrophobicContact CD1-CG2 4.48Å; L59-V291 HydrophobicContact CD2-CG2 3.97Å; L59-V291 HydrophobicContact CG-CG2 4.32Å; S70-V291 PolarHBondContact O-N 3.3Å; L71-V291 WeakPolarHBondContact CA-O 3.43Å; L71-V291 HydrophobicContact CD1-CB 3.69Å; L71-V291 HydrophobicContact CD1-CG1 3.51Å; F72-V291 PolarHBondContact N-O 2.78Å |
| 292 | M | 94.2 | Very high | 89.1 | Confident | 43 Ų | 43 | 39 Ų | 39 | 21% | 0.212 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 127 | 173.3 | 175.9 | 179.8 | 168.7 | 0 | 0 | 108.9 | F72 Y74 A294 Y312 A313 A316 | F72-M292 HydrophobicContact CD2-CB 4.31Å; F72-M292 HydrophobicContact CD2-CG 3.97Å; F72-M292 HydrophobicContact CE1-CB 4.42Å; F72-M292 HydrophobicContact CE2-CB 3.71Å; F72-M292 HydrophobicContact CE2-CG 3.4Å; F72-M292 VanDerWaalsContact CE2-CG 3.4Å; F72-M292 HydrophobicContact CE2-SD 3.69Å; F72-M292 HydrophobicContact CZ-CB 3.76Å; F72-M292 HydrophobicContact CZ-CG 3.96Å; F72-M292 HydrophobicContact CZ-SD 4.16Å; F72-M292 WeakPolarHBondContact O-CA 3.46Å; Y74-M292 HydrophobicContact CD1-CE 3.84Å; Y74-M292 HydrophobicContact CG-CE 3.88Å; M292-A294 HydrophobicContact CE-CB 4.28Å; M292-Y312 HydrophobicContact CE-CD1 3.47Å; M292-Y312 VanDerWaalsContact CE-CD1 3.47Å; M292-Y312 HydrophobicContact CE-CE1 3.81Å; M292-Y312 HydrophobicContact SD-CD1 4.19Å; M292-Y312 HydrophobicContact SD-CE1 4.22Å; M292-A313 HydrophobicContact CE-CB 4.02Å; M292-A313 HydrophobicContact SD-CB 4.44Å; M292-A316 HydrophobicContact SD-CB 3.64Å |
| 293 | I | 95.4 | Very high | 89 | Confident | 20 Ų | 20 | 41.1 Ų | 41.1 | 10% | 0.103 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 115.5 | 168.4 | -64.8 | 174.8 | 0 | 0 | 0 | 107.8 | L55 L71 F72 A73 Y74 I94 | L55-I293 HydrophobicContact CD1-CD1 4.16Å; L55-I293 HydrophobicContact CD1-CG1 4.07Å; L71-I293 HydrophobicContact CD1-CD1 3.85Å; L71-I293 HydrophobicContact CD1-CG1 3.98Å; L71-I293 HydrophobicContact CG-CD1 4.49Å; F72-I293 PolarHBondContact O-N 3.44Å; A73-I293 CarbonylContact C-O 3.42Å; A73-I293 WeakPolarHBondContact CA-O 3.28Å; A73-I293 HydrophobicContact CB-CB 4.32Å; Y74-I293 PolarHBondContact N-O 3.25Å; I94-I293 HydrophobicContact CD1-CD1 3.45Å; I94-I293 VanDerWaalsContact CD1-CD1 3.45Å |
| 294 | A | 95.6 | Very high | 88.8 | Confident | 37 Ų | 37 | 47.2 Ų | 47.2 | 31% | 0.306 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 99.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y74 M292 T309 A313 | Y74-A294 CarbonylContact O-C 3.54Å; Y74-A294 WeakPolarHBondContact O-CA 3.22Å; M292-A294 HydrophobicContact CE-CB 4.28Å; A294-T309 HydrophobicContact CB-CG2 4.07Å; A294-A313 HydrophobicContact CB-CB 3.77Å |
| 295 | A | 94.7 | Very high | 88.7 | Confident | 8 Ų | 8 | 48.3 Ų | 48.3 | 7% | 0.066 | 27% | 0.27 | C | S | . | . | trans | -89.2 | 116.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y74 G75 S79 K81 | Y74-A295 PolarHBondContact O-N 3.42Å; G75-A295 WeakPolarHBondContact CA-O 3.38Å; S79-A295 WeakPolarHBondContact CB-O 3.42Å; S79-A295 VanDerWaalsContact OG-CB 3.24Å; S79-A295 WeakPolarHBondContact OG-CB 3.46Å; S79-A295 PolarHBondContact OG-O 2.78Å; K81-A295 HydrophobicContact CG-CB 3.72Å | ||
| 296 | I | 94.5 | Very high | 88.9 | Confident | 70 Ų | 70 | 47.9 Ų | 47.9 | 36% | 0.359 | 26% | 0.262 | S | S | . | . | trans | -119.8 | 156.3 | -174.6 | 58 | 167.5 | 0 | 0 | 0 | 111.8 | T306 T309 L310 | I296-T306 HydrophobicContact CB-CG2 3.86Å; I296-T306 HydrophobicContact CD1-CG2 4.09Å; I296-T306 HydrophobicContact CG2-CG2 4.04Å; I296-T309 HydrophobicContact CG2-CG2 3.64Å; I296-L310 HydrophobicContact CD1-CD2 4.34Å; I296-L310 HydrophobicContact CG2-CD2 4.35Å; I296-L310 HydrophobicContact CG2-CG 4.31Å | ||
| 297 | S | 89.2 | Confident | 89.1 | Confident | 20 Ų | 20 | 47.4 Ų | 47.4 | 14% | 0.14 | 26% | 0.255 | C | S | . | . | trans | -100.2 | 134.9 | 174.5 | -176.2 | 0 | 0 | 0 | 0 | 110.6 | A299 N302 T306 | S297-A299 PolarHBondContact O-N 3.3Å; S297-A299 PolarHBondContact OG-N 3.06Å; S297-N302 WeakPolarHBondContact CB-ND2 3.23Å; S297-N302 PolarHBondContact OG-ND2 3.38Å; S297-T306 PolarHBondContact N-OG1 2.97Å; S297-T306 PolarHBondContact O-OG1 3.41Å | ||
| 298 | P | 89.4 | Confident | 89.1 | Confident | 70 Ų | 70 | 46.5 Ų | 46.5 | 46% | 0.455 | 25% | 0.252 | S | S | . | . | trans | -77.3 | -5.8 | 174.2 | 32.3 | -35.2 | 0 | 0 | 0 | 113.2 | W23 H25 | W23-P298 HydrophobicContact CH2-CB 3.92Å; W23-P298 HydrophobicContact CZ3-CB 4.37Å; H25-P298 HydrophobicContact CB-CG 4.06Å | ||
| 299 | A | 82.4 | Confident | 89.2 | Confident | 37 Ų | 37 | 46.5 Ų | 46.5 | 31% | 0.306 | 25% | 0.252 | S | S | . | . | trans | -70.2 | 136.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S297 I301 N302 | S297-A299 PolarHBondContact O-N 3.3Å; S297-A299 PolarHBondContact OG-N 3.06Å; A299-I301 VanDerWaalsContact C-N 3.3Å; A299-I301 HydrophobicContact CB-CG1 3.94Å; A299-I301 PolarHBondContact O-N 3.41Å; A299-N302 HydrophobicContact CB-CB 4.45Å; A299-N302 WeakPolarHBondContact O-CB 3.36Å; A299-N302 PolarHBondContact O-N 2.89Å | ||
| 300 | D | 81.2 | Confident | 89.3 | Confident | 85 Ų | 85 | 44.5 Ų | 44.5 | 46% | 0.455 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -64.5 | -33 | -179 | 56.7 | -21.2 | 0 | 0 | 0 | 113.1 | N302 Y303 K571 | D300-N302 PolarHBondContact O-N 3.49Å; D300-N302 VanDerWaalsContact O-N 3.16Å; D300-Y303 VanDerWaalsContact O-CB 3.32Å; D300-Y303 WeakPolarHBondContact O-CB 3.37Å; D300-Y303 PolarHBondContact O-N 3.41Å; D300-Y303 VanDerWaalsContact O-N 3.16Å; D300-K571 IonicContact OD1-NZ 3.1Å; D300-K571 IonicContact OD2-NZ 3.58Å; D300-K571 PolarHBondContact OD2-NZ 2.76Å |
| 301 | I | 77.8 | Confident | 89.2 | Confident | 89 Ų | 89 | 48.1 Ų | 48.1 | 46% | 0.456 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -60.4 | -21.2 | 172.7 | 58.9 | 166.4 | 0 | 0 | 0 | 113.3 | A299 | A299-I301 VanDerWaalsContact C-N 3.3Å; A299-I301 HydrophobicContact CB-CG1 3.94Å; A299-I301 PolarHBondContact O-N 3.41Å |
| 302 | N | 81.6 | Confident | 89.1 | Confident | 36 Ų | 36 | 46.6 Ų | 46.6 | 19% | 0.193 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -101.8 | 8.7 | -177.7 | -70.6 | -26.3 | 0 | 0 | 0 | 112.5 | Q76 S297 A299 D300 E304 E305 T306 | Q76-N302 PolarHBondContact NE2-ND2 2.92Å; Q76-N302 PolarHBondContact NE2-OD1 3.24Å; S297-N302 WeakPolarHBondContact CB-ND2 3.23Å; S297-N302 PolarHBondContact OG-ND2 3.38Å; A299-N302 HydrophobicContact CB-CB 4.45Å; A299-N302 WeakPolarHBondContact O-CB 3.36Å; A299-N302 PolarHBondContact O-N 2.89Å; D300-N302 PolarHBondContact O-N 3.49Å; D300-N302 VanDerWaalsContact O-N 3.16Å; N302-E304 VanDerWaalsContact C-N 3.33Å; N302-E304 PolarHBondContact O-N 3.42Å; N302-E305 PolarHBondContact O-N 2.79Å; N302-E305 VanDerWaalsContact O-N 3.16Å; N302-T306 WeakPolarHBondContact O-CB 3.28Å; N302-T306 PolarHBondContact O-N 2.85Å; N302-T306 PolarHBondContact O-OG1 3.37Å |
| 303 | Y | 85 | Confident | 89 | Confident | 106 Ų | 106 | 44.9 Ų | 44.9 | 42% | 0.416 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -52.3 | -46.4 | -173.9 | 174.6 | -92.7 | 0 | 0 | 0 | 113.3 | K14 D300 E305 T306 L307 | K14-Y303 PolarHBondContact NZ-OH 2.93Å; D300-Y303 VanDerWaalsContact O-CB 3.32Å; D300-Y303 WeakPolarHBondContact O-CB 3.37Å; D300-Y303 PolarHBondContact O-N 3.41Å; D300-Y303 VanDerWaalsContact O-N 3.16Å; Y303-E305 PolarHBondContact O-N 2.75Å; Y303-T306 PolarHBondContact O-N 2.9Å; Y303-L307 HydrophobicContact CE1-CD2 4.03Å; Y303-L307 VanDerWaalsContact O-CB 3.25Å; Y303-L307 WeakPolarHBondContact O-CB 3.27Å; Y303-L307 PolarHBondContact O-N 3.47Å |
| 304 | E | 84 | Confident | 88.9 | Confident | 128 Ų | 128 | 46.8 Ų | 46.8 | 60% | 0.598 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -65.3 | -39.7 | -178.1 | -69.9 | -57.7 | 145.7 | 0 | 0 | 112.4 | N302 L307 S308 | N302-E304 VanDerWaalsContact C-N 3.33Å; N302-E304 PolarHBondContact O-N 3.42Å; E304-L307 PolarHBondContact O-N 2.94Å; E304-S308 VanDerWaalsContact O-CB 3.29Å; E304-S308 WeakPolarHBondContact O-CB 3.37Å; E304-S308 PolarHBondContact O-N 3.28Å |
| 305 | E | 85.2 | Confident | 88.7 | Confident | 30 Ų | 30 | 49.2 Ų | 49.2 | 14% | 0.14 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -72.5 | -40.6 | 178 | -71.4 | -59 | 161.9 | 0 | 0 | 112.2 | Q76 E230 R231 N302 Y303 L307 S308 T309 | Q76-E305 HydrophobicContact CB-CB 4.43Å; E230-E305 HydrophobicContact CB-CG 4.44Å; R231-E305 PolarHBondContact N-OE1 2.92Å; N302-E305 PolarHBondContact O-N 2.79Å; N302-E305 VanDerWaalsContact O-N 3.16Å; Y303-E305 PolarHBondContact O-N 2.75Å; E305-L307 VanDerWaalsContact C-N 3.34Å; E305-L307 PolarHBondContact O-N 2.82Å; E305-S308 PolarHBondContact O-N 2.83Å; E305-T309 WeakPolarHBondContact O-CB 3.35Å; E305-T309 PolarHBondContact O-N 3.35Å; E305-T309 PolarHBondContact O-OG1 3.39Å |
| 306 | T | 90.7 | Very high | 88.6 | Confident | 18 Ų | 18 | 49.6 Ų | 49.6 | 11% | 0.11 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.4 | -46.1 | 170.9 | -75.8 | 0 | 0 | 0 | 0 | 110.7 | I296 S297 N302 Y303 S308 T309 L310 | I296-T306 HydrophobicContact CB-CG2 3.86Å; I296-T306 HydrophobicContact CD1-CG2 4.09Å; I296-T306 HydrophobicContact CG2-CG2 4.04Å; S297-T306 PolarHBondContact N-OG1 2.97Å; S297-T306 PolarHBondContact O-OG1 3.41Å; N302-T306 WeakPolarHBondContact O-CB 3.28Å; N302-T306 PolarHBondContact O-N 2.85Å; N302-T306 PolarHBondContact O-OG1 3.37Å; Y303-T306 PolarHBondContact O-N 2.9Å; T306-S308 PolarHBondContact O-N 2.97Å; T306-T309 WeakPolarHBondContact O-CB 3.33Å; T306-T309 PolarHBondContact O-N 2.8Å; T306-L310 HydrophobicContact CG2-CD1 3.95Å; T306-L310 HydrophobicContact CG2-CG 4.48Å; T306-L310 VanDerWaalsContact O-CG 3.26Å; T306-L310 WeakPolarHBondContact O-CG 3.37Å; T306-L310 PolarHBondContact O-N 3.01Å |
| 307 | L | 90.6 | Very high | 88.4 | Confident | 6 Ų | 6 | 50.6 Ų | 50.6 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 177.8 | 177.1 | 62.1 | 0 | 0 | 0 | 112.4 | K14 F16 Y303 E304 E305 T309 L310 R311 | K14-L307 HydrophobicContact CD-CD1 3.58Å; K14-L307 HydrophobicContact CD-CD2 4.13Å; F16-L307 HydrophobicContact CE2-CD1 4.01Å; F16-L307 HydrophobicContact CZ-CD1 3.76Å; Y303-L307 HydrophobicContact CE1-CD2 4.03Å; Y303-L307 VanDerWaalsContact O-CB 3.25Å; Y303-L307 WeakPolarHBondContact O-CB 3.27Å; Y303-L307 PolarHBondContact O-N 3.47Å; E304-L307 PolarHBondContact O-N 2.94Å; E305-L307 VanDerWaalsContact C-N 3.34Å; E305-L307 PolarHBondContact O-N 2.82Å; L307-T309 VanDerWaalsContact C-N 3.31Å; L307-T309 PolarHBondContact O-N 3.12Å; L307-L310 PolarHBondContact O-N 3.07Å; L307-R311 HydrophobicContact CD1-CG 4.35Å; L307-R311 WeakPolarHBondContact O-CG 3.46Å; L307-R311 PolarHBondContact O-N 3.38Å |
| 308 | S | 89.3 | Confident | 88.5 | Confident | 18 Ų | 18 | 54.7 Ų | 54.7 | 13% | 0.126 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.9 | -45.8 | 174.4 | -178.1 | 0 | 0 | 0 | 0 | 110.9 | E304 E305 T306 R311 Y312 | E304-S308 VanDerWaalsContact O-CB 3.29Å; E304-S308 WeakPolarHBondContact O-CB 3.37Å; E304-S308 PolarHBondContact O-N 3.28Å; E305-S308 PolarHBondContact O-N 2.83Å; T306-S308 PolarHBondContact O-N 2.97Å; S308-R311 PolarHBondContact O-N 2.88Å; S308-Y312 WeakPolarHBondContact O-CB 3.48Å; S308-Y312 PolarHBondContact O-N 3.02Å |
| 309 | T | 93 | Very high | 88.6 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 177.4 | -62.4 | 0 | 0 | 0 | 0 | 112.5 | Y74 A294 I296 E305 T306 L307 Y312 A313 | Y74-T309 HydrophobicContact CD1-CG2 3.97Å; Y74-T309 HydrophobicContact CE1-CG2 4.2Å; A294-T309 HydrophobicContact CB-CG2 4.07Å; I296-T309 HydrophobicContact CG2-CG2 3.64Å; E305-T309 WeakPolarHBondContact O-CB 3.35Å; E305-T309 PolarHBondContact O-N 3.35Å; E305-T309 PolarHBondContact O-OG1 3.39Å; T306-T309 WeakPolarHBondContact O-CB 3.33Å; T306-T309 PolarHBondContact O-N 2.8Å; L307-T309 VanDerWaalsContact C-N 3.31Å; L307-T309 PolarHBondContact O-N 3.12Å; T309-Y312 WeakPolarHBondContact O-CB 3.49Å; T309-Y312 PolarHBondContact O-N 3.28Å; T309-A313 PolarHBondContact O-N 2.78Å |
| 310 | L | 93.8 | Very high | 89 | Confident | 29 Ų | 29 | 59.7 Ų | 59.7 | 15% | 0.152 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64 | -44.5 | 177.9 | -69.6 | 169.9 | 0 | 0 | 0 | 112.3 | F16 F18 I296 T306 L307 Y312 A313 D314 | F16-L310 HydrophobicContact CD1-CB 4.06Å; F16-L310 HydrophobicContact CD2-CB 4.01Å; F16-L310 HydrophobicContact CD2-CD1 3.91Å; F16-L310 HydrophobicContact CD2-CG 4.43Å; F16-L310 HydrophobicContact CE1-CB 3.92Å; F16-L310 HydrophobicContact CE2-CB 3.86Å; F16-L310 HydrophobicContact CE2-CD1 3.92Å; F16-L310 HydrophobicContact CG-CB 4.11Å; F16-L310 HydrophobicContact CZ-CB 3.82Å; F18-L310 HydrophobicContact CE2-CD2 3.53Å; F18-L310 HydrophobicContact CZ-CB 4.47Å; F18-L310 HydrophobicContact CZ-CD2 3.67Å; I296-L310 HydrophobicContact CD1-CD2 4.34Å; I296-L310 HydrophobicContact CG2-CD2 4.35Å; I296-L310 HydrophobicContact CG2-CG 4.31Å; T306-L310 HydrophobicContact CG2-CD1 3.95Å; T306-L310 HydrophobicContact CG2-CG 4.48Å; T306-L310 VanDerWaalsContact O-CG 3.26Å; T306-L310 WeakPolarHBondContact O-CG 3.37Å; T306-L310 PolarHBondContact O-N 3.01Å; L307-L310 PolarHBondContact O-N 3.07Å; L310-Y312 PolarHBondContact O-N 2.84Å; L310-A313 PolarHBondContact O-N 3.01Å; L310-D314 WeakPolarHBondContact O-CB 3.49Å; L310-D314 PolarHBondContact O-N 3.39Å |
| 311 | R | 91.6 | Very high | 89.4 | Confident | 122 Ų | 122 | 57.7 Ų | 57.7 | 46% | 0.46 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64 | -31.4 | 174.1 | -73.1 | 173.2 | 170.3 | 163.5 | -5.6 | 112.7 | F16 L307 S308 R315 | F16-R311 HydrophobicContact CE1-CG 4Å; F16-R311 HydrophobicContact CZ-CG 4.01Å; L307-R311 HydrophobicContact CD1-CG 4.35Å; L307-R311 WeakPolarHBondContact O-CG 3.46Å; L307-R311 PolarHBondContact O-N 3.38Å; S308-R311 PolarHBondContact O-N 2.88Å; R311-R315 WeakPolarHBondContact O-CG 3.5Å; R311-R315 PolarHBondContact O-N 2.85Å; R311-R315 PolarHBondContact O-NE 2.95Å |
| 312 | Y | 91.1 | Very high | 90 | Very high | 5 Ų | 5 | 59 Ų | 59 | 2% | 0.02 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.9 | -47.8 | 175.3 | -171.4 | -79.5 | 0 | 0 | 0 | 111 | Y74 L255 I259 M292 S308 T309 L310 D314 R315 A316 | Y74-Y312 HydrophobicContact CD1-CD1 4.02Å; Y74-Y312 HydrophobicContact CD1-CE1 4.31Å; Y74-Y312 HydrophobicContact CD1-CG 4.4Å; Y74-Y312 HydrophobicContact CD2-CD1 4.46Å; Y74-Y312 AromaticContact CD2-CE1 3.97Å; Y74-Y312 HydrophobicContact CD2-CE1 3.97Å; Y74-Y312 AromaticContact CE1-CD1 3.93Å; Y74-Y312 HydrophobicContact CE1-CD1 3.93Å; Y74-Y312 HydrophobicContact CE1-CD2 4.27Å; Y74-Y312 HydrophobicContact CE1-CE1 4.35Å; Y74-Y312 AromaticContact CE1-CG 3.86Å; Y74-Y312 HydrophobicContact CE1-CG 3.86Å; Y74-Y312 HydrophobicContact CE2-CD1 4.33Å; Y74-Y312 HydrophobicContact CE2-CD2 4.32Å; Y74-Y312 AromaticContact CE2-CE1 3.96Å; Y74-Y312 HydrophobicContact CE2-CE1 3.96Å; Y74-Y312 AromaticContact CE2-CE2 3.96Å; Y74-Y312 HydrophobicContact CE2-CE2 3.96Å; Y74-Y312 HydrophobicContact CE2-CG 4.47Å; Y74-Y312 AromaticContact CE2-CZ 3.74Å; Y74-Y312 HydrophobicContact CG-CD1 4.3Å; Y74-Y312 HydrophobicContact CG-CE1 4.14Å; Y74-Y312 AromaticContact CZ-CD2 3.82Å; Y74-Y312 AromaticContact CZ-CE2 3.93Å; Y74-Y312 AromaticContact CZ-CG 3.88Å; L255-Y312 WeakPolarHBondContact CD2-OH 3.49Å; L255-Y312 WeakPolarHBondContact CG-OH 3.27Å; I259-Y312 HydrophobicContact CD1-CD1 4.18Å; I259-Y312 HydrophobicContact CD1-CE1 3.28Å; I259-Y312 HydrophobicContact CD1-CE2 4.22Å; I259-Y312 WeakPolarHBondContact CD1-OH 3.46Å; M292-Y312 HydrophobicContact CE-CD1 3.47Å; M292-Y312 VanDerWaalsContact CE-CD1 3.47Å; M292-Y312 HydrophobicContact CE-CE1 3.81Å; M292-Y312 HydrophobicContact SD-CD1 4.19Å; M292-Y312 HydrophobicContact SD-CE1 4.22Å; S308-Y312 WeakPolarHBondContact O-CB 3.48Å; S308-Y312 PolarHBondContact O-N 3.02Å; T309-Y312 WeakPolarHBondContact O-CB 3.49Å; T309-Y312 PolarHBondContact O-N 3.28Å; L310-Y312 PolarHBondContact O-N 2.84Å; Y312-D314 VanDerWaalsContact C-N 3.35Å; Y312-D314 PolarHBondContact O-N 2.96Å; Y312-R315 PolarHBondContact O-N 3.49Å; Y312-A316 PolarHBondContact O-N 2.93Å |
| 313 | A | 93 | Very high | 90.2 | Very high | 8 Ų | 8 | 59.6 Ų | 59.6 | 7% | 0.066 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62 | -40.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F18 M292 A294 T309 L310 R315 A316 K317 | F18-A313 HydrophobicContact CD1-CB 4.42Å; F18-A313 HydrophobicContact CE1-CB 3.67Å; F18-A313 HydrophobicContact CZ-CB 4.25Å; M292-A313 HydrophobicContact CE-CB 4.02Å; M292-A313 HydrophobicContact SD-CB 4.44Å; A294-A313 HydrophobicContact CB-CB 3.77Å; T309-A313 PolarHBondContact O-N 2.78Å; L310-A313 PolarHBondContact O-N 3.01Å; A313-R315 PolarHBondContact O-N 3.2Å; A313-A316 PolarHBondContact O-N 2.9Å; A313-K317 PolarHBondContact O-N 3.27Å |
| 314 | D | 92.8 | Very high | 90.3 | Very high | 60 Ų | 60 | 56.8 Ų | 56.8 | 32% | 0.321 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.1 | -42.9 | 177 | -173.9 | 66 | 0 | 0 | 0 | 112.3 | F16 L310 Y312 K317 | F16-D314 HydrophobicContact CD1-CB 4.24Å; L310-D314 WeakPolarHBondContact O-CB 3.49Å; L310-D314 PolarHBondContact O-N 3.39Å; Y312-D314 VanDerWaalsContact C-N 3.35Å; Y312-D314 PolarHBondContact O-N 2.96Å; D314-K317 PolarHBondContact O-N 3.45Å |
| 315 | R | 91.6 | Very high | 90.4 | Very high | 88 Ų | 88 | 53.3 Ų | 53.3 | 33% | 0.332 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.3 | -43 | 172.8 | -72.2 | -179.7 | -69.3 | 168.6 | -2.2 | 112.2 | I259 S260 R311 Y312 A313 K317 Q318 | I259-R315 HydrophobicContact CG2-CB 3.86Å; S260-R315 PolarHBondContact OG-NH1 3.38Å; R311-R315 WeakPolarHBondContact O-CG 3.5Å; R311-R315 PolarHBondContact O-N 2.85Å; R311-R315 PolarHBondContact O-NE 2.95Å; Y312-R315 PolarHBondContact O-N 3.49Å; A313-R315 PolarHBondContact O-N 3.2Å; R315-K317 PolarHBondContact O-N 2.82Å; R315-Q318 WeakPolarHBondContact O-CB 3.26Å; R315-Q318 PolarHBondContact O-N 2.85Å; R315-Q318 VanDerWaalsContact O-N 3.14Å |
| 316 | A | 92.2 | Very high | 90.3 | Very high | 15 Ų | 15 | 52.9 Ų | 52.9 | 12% | 0.124 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.3 | -36.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I259 M292 Y312 A313 Q318 I319 | I259-A316 HydrophobicContact CD1-CB 4.06Å; I259-A316 HydrophobicContact CG2-CB 4.19Å; M292-A316 HydrophobicContact SD-CB 3.64Å; Y312-A316 PolarHBondContact O-N 2.93Å; A313-A316 PolarHBondContact O-N 2.9Å; A316-Q318 PolarHBondContact O-N 3.33Å; A316-I319 WeakPolarHBondContact O-CB 3.26Å; A316-I319 WeakPolarHBondContact O-CG1 3.42Å; A316-I319 PolarHBondContact O-N 3.25Å; A316-I319 VanDerWaalsContact O-N 3.15Å |
| 317 | K | 91.7 | Very high | 89.9 | Confident | 91 Ų | 91 | 53.1 Ų | 53.1 | 40% | 0.396 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.5 | -25.1 | 177.3 | -170.4 | 173.4 | -171.7 | 174.7 | 0 | 113.5 | T17 D19 A313 D314 R315 I319 | T17-K317 PolarHBondContact O-NZ 2.96Å; D19-K317 WeakPolarHBondContact OD1-CE 3.42Å; D19-K317 IonicContact OD1-NZ 3.78Å; D19-K317 PolarHBondContact OD1-NZ 3.46Å; D19-K317 IonicContact OD2-NZ 2.87Å; A313-K317 PolarHBondContact O-N 3.27Å; D314-K317 PolarHBondContact O-N 3.45Å; R315-K317 PolarHBondContact O-N 2.82Å; K317-I319 VanDerWaalsContact C-N 3.28Å; K317-I319 PolarHBondContact O-N 2.94Å |
| 318 | Q | 90.9 | Very high | 89 | Confident | 107 Ų | 107 | 57.8 Ų | 57.8 | 50% | 0.5 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -10.7 | -179.3 | -60.7 | 176 | 10 | 0 | 0 | 113.2 | A263 R315 A316 | A263-Q318 HydrophobicContact CB-CB 4.14Å; R315-Q318 WeakPolarHBondContact O-CB 3.26Å; R315-Q318 PolarHBondContact O-N 2.85Å; R315-Q318 VanDerWaalsContact O-N 3.14Å; A316-Q318 PolarHBondContact O-N 3.33Å |
| 319 | I | 91.9 | Very high | 87.8 | Confident | 26 Ų | 26 | 57.9 Ų | 57.9 | 13% | 0.133 | 28% | 0.282 | C | S | . | . | trans | -73.5 | 130.7 | -178.3 | -58.6 | 175.4 | 0 | 0 | 0 | 110.2 | I259 L262 L284 A316 K317 | I259-I319 HydrophobicContact CB-CD1 4.19Å; I259-I319 HydrophobicContact CG1-CD1 3.9Å; I259-I319 HydrophobicContact CG2-CD1 4.09Å; L262-I319 HydrophobicContact CB-CD1 3.93Å; L262-I319 HydrophobicContact CB-CG1 3.8Å; L262-I319 HydrophobicContact CB-CG2 4.19Å; L262-I319 HydrophobicContact CD1-CD1 4.01Å; L262-I319 HydrophobicContact CD1-CG2 4.16Å; L284-I319 HydrophobicContact CD2-CD1 4.22Å; A316-I319 WeakPolarHBondContact O-CB 3.26Å; A316-I319 WeakPolarHBondContact O-CG1 3.42Å; A316-I319 PolarHBondContact O-N 3.25Å; A316-I319 VanDerWaalsContact O-N 3.15Å; K317-I319 VanDerWaalsContact C-N 3.28Å; K317-I319 PolarHBondContact O-N 2.94Å | ||
| 320 | K | 90.5 | Very high | 86.6 | Confident | 185 Ų | 185 | 62.1 Ų | 62.1 | 80% | 0.804 | 30% | 0.3 | S | S | * | . | trans | -105.7 | 122 | 174.3 | -63.7 | -178.1 | -178.1 | 178.8 | 0 | 110.4 | ||||
| 321 | N | 90.3 | Very high | 85.4 | Confident | 43 Ų | 43 | 65.6 Ų | 65.6 | 23% | 0.23 | 31% | 0.314 | C | S | . | . | trans | -94.1 | 146.4 | 175.5 | -74 | 2.3 | 0 | 0 | 0 | 111.4 | A283 G285 G286 S288 T290 V323 | A283-N321 PolarHBondContact O-ND2 3.36Å; G285-N321 VanDerWaalsContact CA-OD1 3.25Å; G285-N321 WeakPolarHBondContact CA-OD1 3.3Å; G285-N321 PolarHBondContact N-OD1 2.65Å; G286-N321 WeakPolarHBondContact O-CB 3.45Å; S288-N321 PolarHBondContact O-ND2 2.97Å; T290-N321 PolarHBondContact OG1-ND2 2.91Å; N321-V323 HydrophobicContact CB-CG2 4.12Å | ||
| 322 | T | 88.6 | Confident | 84.2 | Confident | 116 Ų | 116 | 60.5 Ų | 60.5 | 71% | 0.712 | 30% | 0.298 | S | S | * | . | trans | -100.3 | 96.3 | 173.9 | -55.2 | 0 | 0 | 0 | 0 | 108.9 | G286 N287 | G286-T322 PolarHBondContact O-N 3.37Å; N287-T322 WeakPolarHBondContact CA-O 3.3Å | ||
| 323 | V | 87.2 | Confident | 82.9 | Confident | 50 Ų | 50 | 63.8 Ų | 63.8 | 30% | 0.303 | 32% | 0.316 | S | S | . | . | trans | -96.3 | 134 | -172.7 | -175.4 | 0 | 0 | 0 | 0 | 110.7 | Y67 N287 K289 N321 | Y67-V323 HydrophobicContact CD1-CG1 3.41Å; Y67-V323 VanDerWaalsContact CD1-CG1 3.41Å; Y67-V323 HydrophobicContact CE1-CG1 3.99Å; Y67-V323 HydrophobicContact CG-CG1 4.17Å; N287-V323 WeakPolarHBondContact OD1-CA 3.48Å; K289-V323 HydrophobicContact CG-CB 4.49Å; K289-V323 HydrophobicContact CG-CG1 3.89Å; K289-V323 HydrophobicContact CG-CG2 4.01Å; N321-V323 HydrophobicContact CB-CG2 4.12Å | ||
| 324 | A | 86.3 | Confident | 81.6 | Confident | 47 Ų | 47 | 70 Ų | 70 | 39% | 0.388 | 35% | 0.348 | S | S | . | . | trans | -131.3 | 144 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | N287 N326 | N287-A324 PolarHBondContact OD1-N 2.85Å; N287-A324 PolarHBondContact OD1-O 3.42Å; A324-N326 PolarHBondContact O-N 3.45Å | ||
| 325 | E | 85.3 | Confident | 80.2 | Confident | 55 Ų | 55 | 71.2 Ų | 71.2 | 26% | 0.257 | 36% | 0.361 | S | S | . | . | trans | -64.2 | 126.7 | 173.6 | -173.5 | -176.2 | -175.2 | 0 | 0 | 109.8 | Y67 K217 E327 K330 | Y67-E325 HydrophobicContact CE1-CB 4.11Å; K217-E325 WeakPolarHBondContact CE-OE1 3.45Å; K217-E325 IonicContact NZ-OE1 3Å; K217-E325 PolarHBondContact NZ-OE1 3.2Å; E325-E327 VanDerWaalsContact C-N 3.3Å; E325-E327 HydrophobicContact CG-CB 4.49Å; E325-E327 PolarHBondContact O-N 2.95Å; E325-E327 VanDerWaalsContact O-N 3.11Å; E325-K330 IonicContact OE1-NZ 2.75Å; E325-K330 PolarHBondContact OE1-NZ 2.74Å; E325-K330 IonicContact OE2-NZ 2.99Å; E325-K330 PolarHBondContact OE2-NZ 3.1Å | ||
| 326 | N | 83.6 | Confident | 78.6 | Confident | 20 Ų | 20 | 68.9 Ų | 68.9 | 11% | 0.107 | 36% | 0.356 | C | S | . | . | trans | -91.5 | 63.7 | -175.7 | -70.8 | -43.9 | 0 | 0 | 0 | 111.6 | G66 S68 K217 R218 N287 A324 K331 | G66-N326 WeakPolarHBondContact O-CB 3.44Å; G66-N326 PolarHBondContact O-N 3.1Å; S68-N326 PolarHBondContact OG-ND2 3.18Å; K217-N326 WeakPolarHBondContact CA-O 3.01Å; R218-N326 PolarHBondContact N-O 3.01Å; R218-N326 WeakPolarHBondContact O-CB 3.48Å; N287-N326 PolarHBondContact ND2-OD1 2.65Å; A324-N326 PolarHBondContact O-N 3.45Å; N326-K331 PolarHBondContact OD1-NZ 2.98Å | ||
| 327 | E | 82 | Confident | 76.7 | Confident | 24 Ų | 24 | 76.6 Ų | 76.6 | 11% | 0.112 | 39% | 0.39 | C | S | . | . | B | Isolated β-bridge | trans | -98.7 | 118.4 | 174.1 | -175.2 | 167.8 | -176.9 | 0 | 0 | 110.8 | S215 K217 E325 L329 K330 K331 | S215-E327 VanDerWaalsContact OG-CG 3.26Å; S215-E327 WeakPolarHBondContact OG-CG 3.26Å; S215-E327 PolarHBondContact OG-OE1 3.23Å; K217-E327 WeakPolarHBondContact CE-OE2 3.23Å; K217-E327 HydrophobicContact CG-CB 4.11Å; K217-E327 HydrophobicContact CG-CG 4Å; K217-E327 IonicContact NZ-OE2 2.79Å; E325-E327 VanDerWaalsContact C-N 3.3Å; E325-E327 HydrophobicContact CG-CB 4.49Å; E325-E327 PolarHBondContact O-N 2.95Å; E325-E327 VanDerWaalsContact O-N 3.11Å; E327-L329 PolarHBondContact O-N 3.3Å; E327-K330 HydrophobicContact CB-CB 4.13Å; E327-K330 HydrophobicContact CB-CD 4.11Å; E327-K330 HydrophobicContact CB-CG 4.24Å; E327-K330 HydrophobicContact CG-CB 4.24Å; E327-K330 HydrophobicContact CG-CD 4.31Å; E327-K330 HydrophobicContact CG-CG 4.08Å; E327-K330 PolarHBondContact O-N 3.38Å; E327-K330 WeakPolarHBondContact OE2-CD 3.39Å; E327-K330 WeakPolarHBondContact OE2-CE 3.09Å; E327-K330 IonicContact OE2-NZ 3.43Å; E327-K330 PolarHBondContact OE2-NZ 3.49Å; E327-K331 WeakPolarHBondContact O-CG 3.39Å; E327-K331 PolarHBondContact O-N 3.36Å |
| 328 | R | 71.6 | Confident | 75 | Confident | 103 Ų | 103 | 74.1 Ų | 74.1 | 39% | 0.389 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63 | -44.1 | -173.1 | -168.6 | 178.4 | -176.7 | -174.7 | 0.8 | 111.9 | R216 K331 A332 E375 | R216-R328 HydrophobicContact CB-CB 4.48Å; R216-R328 PolarHBondContact O-N 3.46Å; R328-K331 PolarHBondContact O-N 3.44Å; R328-A332 VanDerWaalsContact O-CB 3.28Å; R328-A332 WeakPolarHBondContact O-CB 3.49Å; R328-A332 PolarHBondContact O-N 3.4Å; R328-E375 IonicContact CZ-OE1 2.72Å; R328-E375 IonicContact NH1-OE1 3.82Å; R328-E375 PolarHBondContact NH1-OE1 2.86Å |
| 329 | L | 65.5 | Low | 73.1 | Confident | 20 Ų | 20 | 73.1 Ų | 73.1 | 11% | 0.105 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.8 | -47.6 | -179.7 | -111.8 | 167 | 0 | 0 | 0 | 111.6 | K213 I214 E327 K331 A332 L333 L371 | K213-L329 HydrophobicContact CB-CD1 4.08Å; I214-L329 WeakPolarHBondContact O-CD1 3.26Å; E327-L329 PolarHBondContact O-N 3.3Å; L329-K331 PolarHBondContact O-N 2.93Å; L329-A332 PolarHBondContact O-N 3.23Å; L329-L333 HydrophobicContact CD2-CD1 4.19Å; L329-L333 HydrophobicContact CD2-CG 4.43Å; L329-L333 WeakPolarHBondContact O-CB 3.35Å; L329-L333 VanDerWaalsContact O-CG 3.28Å; L329-L333 WeakPolarHBondContact O-CG 3.46Å; L329-L333 PolarHBondContact O-N 3.01Å; L329-L371 HydrophobicContact CD2-CD1 4.36Å |
| 330 | K | 67.9 | Low | 71.4 | Confident | 90 Ų | 90 | 78 Ų | 78 | 39% | 0.391 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -58.3 | -44.5 | 174.7 | -75.5 | -177.9 | -179.7 | 143.5 | 0 | 112.4 | E325 E327 A332 N334 | E325-K330 IonicContact OE1-NZ 2.75Å; E325-K330 PolarHBondContact OE1-NZ 2.74Å; E325-K330 IonicContact OE2-NZ 2.99Å; E325-K330 PolarHBondContact OE2-NZ 3.1Å; E327-K330 HydrophobicContact CB-CB 4.13Å; E327-K330 HydrophobicContact CB-CD 4.11Å; E327-K330 HydrophobicContact CB-CG 4.24Å; E327-K330 HydrophobicContact CG-CB 4.24Å; E327-K330 HydrophobicContact CG-CD 4.31Å; E327-K330 HydrophobicContact CG-CG 4.08Å; E327-K330 PolarHBondContact O-N 3.38Å; E327-K330 WeakPolarHBondContact OE2-CD 3.39Å; E327-K330 WeakPolarHBondContact OE2-CE 3.09Å; E327-K330 IonicContact OE2-NZ 3.43Å; E327-K330 PolarHBondContact OE2-NZ 3.49Å; K330-A332 VanDerWaalsContact C-N 3.35Å; K330-N334 WeakPolarHBondContact O-CB 3.34Å; K330-N334 PolarHBondContact O-N 3.33Å; K330-N334 PolarHBondContact O-ND2 2.75Å |
| 331 | K | 67.9 | Low | 69.7 | Low | 102 Ų | 102 | 73.8 Ų | 73.8 | 44% | 0.443 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.9 | -43 | 177.6 | -75.5 | -176.4 | -179 | -178.4 | 0 | 111.9 | N326 E327 R328 L329 N334 S335 | N326-K331 PolarHBondContact OD1-NZ 2.98Å; E327-K331 WeakPolarHBondContact O-CG 3.39Å; E327-K331 PolarHBondContact O-N 3.36Å; R328-K331 PolarHBondContact O-N 3.44Å; L329-K331 PolarHBondContact O-N 2.93Å; K331-N334 PolarHBondContact O-N 3.35Å; K331-S335 PolarHBondContact O-N 3.27Å; K331-S335 PolarHBondContact O-OG 2.72Å |
| 332 | A | 66.2 | Low | 68.1 | Low | 15 Ų | 15 | 74.6 Ų | 74.6 | 12% | 0.124 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -67 | -44.5 | -179 | 0 | 0 | 0 | 0 | 0 | 111.5 | R328 L329 K330 N334 S335 T336 M367 | R328-A332 VanDerWaalsContact O-CB 3.28Å; R328-A332 WeakPolarHBondContact O-CB 3.49Å; R328-A332 PolarHBondContact O-N 3.4Å; L329-A332 PolarHBondContact O-N 3.23Å; K330-A332 VanDerWaalsContact C-N 3.35Å; A332-N334 PolarHBondContact O-N 3.23Å; A332-S335 WeakPolarHBondContact CA-OG 3.2Å; A332-S335 PolarHBondContact O-N 3.17Å; A332-S335 VanDerWaalsContact O-N 3.15Å; A332-S335 PolarHBondContact O-OG 3.46Å; A332-T336 PolarHBondContact O-N 2.86Å; A332-T336 PolarHBondContact O-OG1 3.03Å; A332-M367 HydrophobicContact CB-CE 3.49Å; A332-M367 VanDerWaalsContact CB-CE 3.49Å |
| 333 | L | 64.9 | Low | 66.4 | Low | 75 Ų | 75 | 74.6 Ų | 74.6 | 39% | 0.393 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.1 | -44.7 | 173.9 | -72.8 | 165.4 | 0 | 0 | 0 | 111.8 | L329 S335 T336 M364 | L329-L333 HydrophobicContact CD2-CD1 4.19Å; L329-L333 HydrophobicContact CD2-CG 4.43Å; L329-L333 WeakPolarHBondContact O-CB 3.35Å; L329-L333 VanDerWaalsContact O-CG 3.28Å; L329-L333 WeakPolarHBondContact O-CG 3.46Å; L329-L333 PolarHBondContact O-N 3.01Å; L333-S335 VanDerWaalsContact C-N 3.28Å; L333-S335 PolarHBondContact O-N 2.59Å; L333-T336 WeakPolarHBondContact O-CB 3.02Å; L333-T336 PolarHBondContact O-N 3.45Å; L333-T336 PolarHBondContact O-OG1 3.43Å; L333-M364 HydrophobicContact CD2-SD 4.28Å |
| 334 | N | 64.6 | Low | 65.2 | Low | 139 Ų | 139 | 74.7 Ų | 74.7 | 74% | 0.743 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -66.9 | -26.9 | 177.3 | -70.7 | -8.2 | 0 | 0 | 0 | 113.4 | K330 K331 A332 T336 | K330-N334 WeakPolarHBondContact O-CB 3.34Å; K330-N334 PolarHBondContact O-N 3.33Å; K330-N334 PolarHBondContact O-ND2 2.75Å; K331-N334 PolarHBondContact O-N 3.35Å; A332-N334 PolarHBondContact O-N 3.23Å; N334-T336 VanDerWaalsContact C-N 3.27Å; N334-T336 PolarHBondContact O-N 2.88Å |
| 335 | S | 63.6 | Low | 63.6 | Low | 85 Ų | 85 | 81.8 Ų | 81.8 | 59% | 0.594 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -0.9 | 177.8 | 62.3 | 0 | 0 | 0 | 0 | 114.5 | K331 A332 L333 E337 | K331-S335 PolarHBondContact O-N 3.27Å; K331-S335 PolarHBondContact O-OG 2.72Å; A332-S335 WeakPolarHBondContact CA-OG 3.2Å; A332-S335 PolarHBondContact O-N 3.17Å; A332-S335 VanDerWaalsContact O-N 3.15Å; A332-S335 PolarHBondContact O-OG 3.46Å; L333-S335 VanDerWaalsContact C-N 3.28Å; L333-S335 PolarHBondContact O-N 2.59Å; S335-E337 PolarHBondContact O-N 3.08Å |
| 336 | T | 57 | Low | 62.7 | Low | 38 Ų | 38 | 83.2 Ų | 83.2 | 23% | 0.233 | 47% | 0.472 | C | S | . | . | trans | -83.5 | 58 | -175.1 | -44.7 | 0 | 0 | 0 | 0 | 111.4 | A332 L333 N334 M363 | A332-T336 PolarHBondContact O-N 2.86Å; A332-T336 PolarHBondContact O-OG1 3.03Å; L333-T336 WeakPolarHBondContact O-CB 3.02Å; L333-T336 PolarHBondContact O-N 3.45Å; L333-T336 PolarHBondContact O-OG1 3.43Å; N334-T336 VanDerWaalsContact C-N 3.27Å; N334-T336 PolarHBondContact O-N 2.88Å; T336-M363 HydrophobicContact CG2-CE 3.25Å | ||
| 337 | E | 53.7 | Low | 62.2 | Low | 177 Ų | 177 | 85.5 Ų | 85.5 | 83% | 0.827 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -82.6 | 121.1 | 161.5 | -70.8 | -169.5 | 170.5 | 0 | 0 | 108.6 | S335 | S335-E337 PolarHBondContact O-N 3.08Š|
| 338 | L | 55.9 | Low | 61.9 | Low | 39 Ų | 39 | 87.8 Ų | 87.8 | 20% | 0.204 | 50% | 0.5 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 137.7 | 173.3 | -79.4 | 153.6 | 0 | 0 | 0 | 109.3 | S340 K356 R360 | L338-S340 PolarHBondContact O-N 2.81Å; L338-K356 HydrophobicContact CD1-CB 4.11Å; L338-K356 HydrophobicContact CD1-CD 4.45Å; L338-K356 HydrophobicContact CD1-CG 4.08Å; L338-R360 HydrophobicContact CD1-CG 3.87Å; L338-R360 VanDerWaalsContact CD1-NE 3.29Å; L338-R360 HydrophobicContact CG-CG 4.35Å |
| 339 | P | 51.4 | Low | 62 | Low | 86 Ų | 86 | 88.3 Ų | 88.3 | 56% | 0.558 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -52.8 | 131.7 | 174 | -23.4 | 31.9 | 0 | 0 | 0 | 111.2 | S341 V342 | P339-S341 PolarHBondContact O-N 3.07Å; P339-V342 PolarHBondContact O-N 2.92Å |
| 340 | S | 55.1 | Low | 62.6 | Low | 130 Ų | 130 | 95.2 Ų | 95.2 | 91% | 0.909 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -7.8 | 176.7 | 46.9 | 0 | 0 | 0 | 0 | 113.9 | L338 V342 | L338-S340 PolarHBondContact O-N 2.81Å; S340-V342 VanDerWaalsContact C-N 3.35Å; S340-V342 PolarHBondContact O-N 2.9Å |
| 341 | S | 54.7 | Low | 63 | Low | 96 Ų | 96 | 95.3 Ų | 95.3 | 67% | 0.671 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | 3.7 | -179.1 | 55.7 | 0 | 0 | 0 | 0 | 115.3 | P339 V343 | P339-S341 PolarHBondContact O-N 3.07Å; S341-V343 PolarHBondContact O-N 3.38Å |
| 342 | V | 56.7 | Low | 63.3 | Low | 60 Ų | 60 | 92.4 Ų | 92.4 | 36% | 0.364 | 54% | 0.536 | S | S | . | . | trans | -74 | 77.2 | 171.1 | -173.6 | 0 | 0 | 0 | 0 | 109.4 | P339 S340 V344 | P339-V342 PolarHBondContact O-N 2.92Å; S340-V342 VanDerWaalsContact C-N 3.35Å; S340-V342 PolarHBondContact O-N 2.9Å; V342-V344 HydrophobicContact CG1-CG2 3.56Å; V342-V344 PolarHBondContact O-N 3.09Å | ||
| 343 | V | 54.2 | Low | 63.7 | Low | 116 Ų | 116 | 95.6 Ų | 95.6 | 70% | 0.703 | 55% | 0.551 | S | S | * | * | trans | -84.9 | 90.9 | 169.3 | -177.8 | 0 | 0 | 0 | 0 | 107.8 | S341 K345 | S341-V343 PolarHBondContact O-N 3.38Å; V343-K345 HydrophobicContact CG1-CG 4.29Å; V343-K345 PolarHBondContact O-N 3.45Å | ||
| 344 | V | 60.1 | Low | 64.4 | Low | 52 Ų | 52 | 96.9 Ų | 96.9 | 32% | 0.315 | 56% | 0.559 | S | S | . | * | trans | -86.5 | 102.9 | 171.1 | -160 | 0 | 0 | 0 | 0 | 108.3 | V342 L347 | V342-V344 HydrophobicContact CG1-CG2 3.56Å; V342-V344 PolarHBondContact O-N 3.09Å; V344-L347 HydrophobicContact CB-CD1 4.39Å; V344-L347 HydrophobicContact CG1-CD1 3.55Å; V344-L347 HydrophobicContact CG1-CG 3.95Å | ||
| 345 | K | 53.9 | Low | 64.9 | Low | 196 Ų | 196 | 93.6 Ų | 93.6 | 85% | 0.852 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | 126.3 | 171.7 | -76.7 | -176.8 | 175.9 | 178.9 | 0 | 109.3 | V343 | V343-K345 HydrophobicContact CG1-CG 4.29Å; V343-K345 PolarHBondContact O-N 3.45Å |
| 346 | G | 66.5 | Low | 65.5 | Low | 85 Ų | 85 | 93.1 Ų | 93.1 | 88% | 0.876 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 108.2 | -1.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 347 | L | 73.3 | Confident | 66.4 | Low | 67 Ų | 67 | 94.5 Ų | 94.5 | 35% | 0.351 | 53% | 0.534 | S | S | . | . | trans | -102.8 | 151 | 177.7 | -69.1 | -179.4 | 0 | 0 | 0 | 112.5 | V344 E351 I352 L355 | V344-L347 HydrophobicContact CB-CD1 4.39Å; V344-L347 HydrophobicContact CG1-CD1 3.55Å; V344-L347 HydrophobicContact CG1-CG 3.95Å; L347-E351 HydrophobicContact CB-CB 4.1Å; L347-E351 HydrophobicContact CD1-CB 4.38Å; L347-E351 HydrophobicContact CD2-CB 4.17Å; L347-E351 HydrophobicContact CG-CB 4.46Å; L347-I352 HydrophobicContact CB-CD1 4.33Å; L347-I352 HydrophobicContact CB-CG1 3.73Å; L347-I352 HydrophobicContact CD1-CG1 4.48Å; L347-L355 HydrophobicContact CD1-CD2 4.16Å | ||
| 348 | T | 75 | Confident | 67.6 | Low | 73 Ų | 73 | 91.3 Ų | 91.3 | 45% | 0.448 | 52% | 0.519 | S | S | . | . | trans | -68.9 | 156.8 | 171.9 | 63.7 | 0 | 0 | 0 | 0 | 111.2 | K350 E351 I352 | T348-K350 PolarHBondContact O-N 3.3Å; T348-K350 VanDerWaalsContact O-N 3.11Å; T348-E351 WeakPolarHBondContact CB-OE2 3.36Å; T348-E351 PolarHBondContact N-OE2 3.16Å; T348-E351 PolarHBondContact O-N 3.48Å; T348-E351 VanDerWaalsContact O-N 3.14Å; T348-E351 VanDerWaalsContact OG1-CD 3.22Å; T348-E351 VanDerWaalsContact OG1-CG 3.3Å; T348-E351 WeakPolarHBondContact OG1-CG 3.45Å; T348-E351 PolarHBondContact OG1-N 3.4Å; T348-E351 PolarHBondContact OG1-OE2 3.02Å; T348-I352 WeakPolarHBondContact O-CG1 3.29Å; T348-I352 PolarHBondContact O-N 2.9Å | ||
| 349 | P | 74.2 | Confident | 68.4 | Low | 114 Ų | 114 | 93.4 Ų | 93.4 | 74% | 0.74 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -54.7 | -30.9 | 177.5 | -27.7 | 35.2 | 0 | 0 | 0 | 114.5 | D353 | P349-D353 PolarHBondContact O-N 3.24Å |
| 350 | K | 77.8 | Confident | 69.3 | Low | 164 Ų | 164 | 93.9 Ų | 93.9 | 71% | 0.713 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -72.2 | -46.9 | 176.1 | -76.9 | -172.1 | 174.6 | -175.8 | 0 | 112.4 | T348 I352 D353 D354 | T348-K350 PolarHBondContact O-N 3.3Å; T348-K350 VanDerWaalsContact O-N 3.11Å; K350-I352 VanDerWaalsContact C-N 3.26Å; K350-I352 PolarHBondContact O-N 3.27Å; K350-D353 PolarHBondContact O-N 3.49Å; K350-D354 PolarHBondContact O-N 3.04Å |
| 351 | E | 76.3 | Confident | 70.3 | Confident | 92 Ų | 92 | 93.7 Ų | 93.7 | 43% | 0.43 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.2 | -34.8 | 178.1 | -69.8 | 162 | 151.9 | 0 | 0 | 111.8 | L347 T348 D353 L355 | L347-E351 HydrophobicContact CB-CB 4.1Å; L347-E351 HydrophobicContact CD1-CB 4.38Å; L347-E351 HydrophobicContact CD2-CB 4.17Å; L347-E351 HydrophobicContact CG-CB 4.46Å; T348-E351 WeakPolarHBondContact CB-OE2 3.36Å; T348-E351 PolarHBondContact N-OE2 3.16Å; T348-E351 PolarHBondContact O-N 3.48Å; T348-E351 VanDerWaalsContact O-N 3.14Å; T348-E351 VanDerWaalsContact OG1-CD 3.22Å; T348-E351 VanDerWaalsContact OG1-CG 3.3Å; T348-E351 WeakPolarHBondContact OG1-CG 3.45Å; T348-E351 PolarHBondContact OG1-N 3.4Å; T348-E351 PolarHBondContact OG1-OE2 3.02Å; E351-D353 VanDerWaalsContact C-N 3.33Å; E351-L355 WeakPolarHBondContact O-CB 3.47Å; E351-L355 PolarHBondContact O-N 2.78Å |
| 352 | I | 73.3 | Confident | 71.3 | Confident | 42 Ų | 42 | 94.1 Ų | 94.1 | 22% | 0.215 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -64 | -40.2 | 172.7 | -66.3 | 173.4 | 0 | 0 | 0 | 110.8 | L347 T348 K350 K356 | L347-I352 HydrophobicContact CB-CD1 4.33Å; L347-I352 HydrophobicContact CB-CG1 3.73Å; L347-I352 HydrophobicContact CD1-CG1 4.48Å; T348-I352 WeakPolarHBondContact O-CG1 3.29Å; T348-I352 PolarHBondContact O-N 2.9Å; K350-I352 VanDerWaalsContact C-N 3.26Å; K350-I352 PolarHBondContact O-N 3.27Å; I352-K356 HydrophobicContact CG2-CD 4.09Å; I352-K356 VanDerWaalsContact O-CB 3.32Å; I352-K356 WeakPolarHBondContact O-CB 3.19Å; I352-K356 WeakPolarHBondContact O-CG 3.25Å; I352-K356 PolarHBondContact O-N 2.85Å |
| 353 | D | 75.7 | Confident | 72.1 | Confident | 81 Ų | 81 | 94.9 Ų | 94.9 | 43% | 0.433 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -70.9 | -45.6 | 179.1 | -164.1 | 66.1 | 0 | 0 | 0 | 112 | P349 K350 E351 L355 K356 N357 | P349-D353 PolarHBondContact O-N 3.24Å; K350-D353 PolarHBondContact O-N 3.49Å; E351-D353 VanDerWaalsContact C-N 3.33Å; D353-L355 PolarHBondContact O-N 2.66Å; D353-K356 CarbonylContact O-C 3.55Å; D353-K356 WeakPolarHBondContact O-CB 3.33Å; D353-K356 PolarHBondContact O-N 3.09Å; D353-N357 WeakPolarHBondContact O-CB 3.45Å; D353-N357 PolarHBondContact O-N 2.87Å; D353-N357 PolarHBondContact O-ND2 3.46Å; D353-N357 PolarHBondContact OD2-ND2 3.09Å |
| 354 | D | 78.8 | Confident | 72.9 | Confident | 103 Ų | 103 | 92.7 Ų | 92.7 | 55% | 0.551 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.3 | -44 | 176.5 | -70.3 | -27.9 | 0 | 0 | 0 | 111.2 | K350 N357 Q358 | K350-D354 PolarHBondContact O-N 3.04Å; D354-N357 PolarHBondContact O-N 3.5Å; D354-Q358 WeakPolarHBondContact O-CB 3.41Å; D354-Q358 PolarHBondContact O-N 2.79Å |
| 355 | L | 75.9 | Confident | 73.6 | Confident | 69 Ų | 69 | 94.7 Ų | 94.7 | 36% | 0.361 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 175.5 | -173.2 | 65.6 | 0 | 0 | 0 | 111.3 | L347 E351 D353 N357 Q358 M359 | L347-L355 HydrophobicContact CD1-CD2 4.16Å; E351-L355 WeakPolarHBondContact O-CB 3.47Å; E351-L355 PolarHBondContact O-N 2.78Å; D353-L355 PolarHBondContact O-N 2.66Å; L355-N357 VanDerWaalsContact C-N 3.32Å; L355-N357 PolarHBondContact O-N 3.35Å; L355-Q358 PolarHBondContact O-N 3.49Å; L355-M359 HydrophobicContact CD1-CG 4.49Å; L355-M359 HydrophobicContact CG-CG 4.43Å; L355-M359 HydrophobicContact CG-SD 4.25Å; L355-M359 VanDerWaalsContact O-CB 3.27Å; L355-M359 WeakPolarHBondContact O-CB 3.18Å; L355-M359 WeakPolarHBondContact O-CG 3.4Å; L355-M359 PolarHBondContact O-N 2.86Å |
| 356 | K | 75 | Confident | 74.6 | Confident | 76 Ų | 76 | 91.6 Ų | 91.6 | 33% | 0.33 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.1 | -39.5 | 173.2 | -79.9 | 174.1 | 179.9 | 177.8 | 0 | 111.8 | L338 I352 D353 R360 | L338-K356 HydrophobicContact CD1-CB 4.11Å; L338-K356 HydrophobicContact CD1-CD 4.45Å; L338-K356 HydrophobicContact CD1-CG 4.08Å; I352-K356 HydrophobicContact CG2-CD 4.09Å; I352-K356 VanDerWaalsContact O-CB 3.32Å; I352-K356 WeakPolarHBondContact O-CB 3.19Å; I352-K356 WeakPolarHBondContact O-CG 3.25Å; I352-K356 PolarHBondContact O-N 2.85Å; D353-K356 CarbonylContact O-C 3.55Å; D353-K356 WeakPolarHBondContact O-CB 3.33Å; D353-K356 PolarHBondContact O-N 3.09Å; K356-R360 VanDerWaalsContact O-CB 3.26Å; K356-R360 WeakPolarHBondContact O-CB 3.05Å; K356-R360 WeakPolarHBondContact O-CD 3.37Å; K356-R360 WeakPolarHBondContact O-CG 3.34Å; K356-R360 PolarHBondContact O-N 3.47Å |
| 357 | N | 77.3 | Confident | 74.8 | Confident | 66 Ų | 66 | 90.5 Ų | 90.5 | 35% | 0.353 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -70.7 | -39.9 | 179.2 | -70.1 | -29.4 | 0 | 0 | 0 | 111.7 | D353 D354 L355 R360 K361 | D353-N357 WeakPolarHBondContact O-CB 3.45Å; D353-N357 PolarHBondContact O-N 2.87Å; D353-N357 PolarHBondContact O-ND2 3.46Å; D353-N357 PolarHBondContact OD2-ND2 3.09Å; D354-N357 PolarHBondContact O-N 3.5Å; L355-N357 VanDerWaalsContact C-N 3.32Å; L355-N357 PolarHBondContact O-N 3.35Å; N357-R360 WeakPolarHBondContact O-CB 3.29Å; N357-R360 PolarHBondContact O-N 3.49Å; N357-R360 PolarHBondContact OD1-NH1 2.9Å; N357-K361 WeakPolarHBondContact O-CB 3.24Å; N357-K361 PolarHBondContact O-N 3.18Å |
| 358 | Q | 78.4 | Confident | 74.8 | Confident | 110 Ų | 110 | 90.3 Ų | 90.3 | 51% | 0.514 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.5 | -49.4 | 173.2 | -174.8 | 178.6 | -6.7 | 0 | 0 | 111.3 | D354 L355 R360 K361 E362 | D354-Q358 WeakPolarHBondContact O-CB 3.41Å; D354-Q358 PolarHBondContact O-N 2.79Å; L355-Q358 PolarHBondContact O-N 3.49Å; Q358-R360 VanDerWaalsContact C-N 3.26Å; Q358-R360 PolarHBondContact O-N 2.81Å; Q358-K361 WeakPolarHBondContact O-CB 3.48Å; Q358-K361 PolarHBondContact O-N 3.23Å; Q358-E362 WeakPolarHBondContact CG-OE1 3.14Å; Q358-E362 PolarHBondContact NE2-OE1 3.02Å; Q358-E362 PolarHBondContact O-N 2.86Å |
| 359 | M | 72.6 | Confident | 74.8 | Confident | 84 Ų | 84 | 92.1 Ų | 92.1 | 41% | 0.414 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -58.4 | -39.7 | 175.6 | -74.2 | -177.2 | 74.4 | 0 | 0 | 111.5 | L355 M363 | L355-M359 HydrophobicContact CD1-CG 4.49Å; L355-M359 HydrophobicContact CG-CG 4.43Å; L355-M359 HydrophobicContact CG-SD 4.25Å; L355-M359 VanDerWaalsContact O-CB 3.27Å; L355-M359 WeakPolarHBondContact O-CB 3.18Å; L355-M359 WeakPolarHBondContact O-CG 3.4Å; L355-M359 PolarHBondContact O-N 2.86Å; M359-M363 WeakPolarHBondContact O-CB 3.43Å; M359-M363 PolarHBondContact O-N 2.89Å |
| 360 | R | 71.2 | Confident | 74.9 | Confident | 96 Ų | 96 | 90.7 Ų | 90.7 | 36% | 0.362 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.1 | -44.9 | 172.8 | -83.1 | 168.5 | 174 | 166.3 | -1.8 | 111.7 | L338 K356 N357 Q358 M364 | L338-R360 HydrophobicContact CD1-CG 3.87Å; L338-R360 VanDerWaalsContact CD1-NE 3.29Å; L338-R360 HydrophobicContact CG-CG 4.35Å; K356-R360 VanDerWaalsContact O-CB 3.26Å; K356-R360 WeakPolarHBondContact O-CB 3.05Å; K356-R360 WeakPolarHBondContact O-CD 3.37Å; K356-R360 WeakPolarHBondContact O-CG 3.34Å; K356-R360 PolarHBondContact O-N 3.47Å; N357-R360 WeakPolarHBondContact O-CB 3.29Å; N357-R360 PolarHBondContact O-N 3.49Å; N357-R360 PolarHBondContact OD1-NH1 2.9Å; Q358-R360 VanDerWaalsContact C-N 3.26Å; Q358-R360 PolarHBondContact O-N 2.81Å; R360-M364 VanDerWaalsContact O-CB 3.28Å; R360-M364 WeakPolarHBondContact O-CB 3.4Å; R360-M364 VanDerWaalsContact O-CG 3.23Å; R360-M364 WeakPolarHBondContact O-CG 3.2Å; R360-M364 PolarHBondContact O-N 3.06Å |
| 361 | K | 75.7 | Confident | 74.8 | Confident | 126 Ų | 126 | 83.8 Ų | 83.8 | 55% | 0.548 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65 | -49.5 | -178.9 | -169.2 | -175.5 | 176.4 | -166.2 | 0 | 111.6 | N357 Q358 M363 M364 E365 | N357-K361 WeakPolarHBondContact O-CB 3.24Å; N357-K361 PolarHBondContact O-N 3.18Å; Q358-K361 WeakPolarHBondContact O-CB 3.48Å; Q358-K361 PolarHBondContact O-N 3.23Å; K361-M363 PolarHBondContact O-N 2.88Å; K361-M364 PolarHBondContact O-N 3.39Å; K361-E365 VanDerWaalsContact CE-OE1 3.25Å; K361-E365 WeakPolarHBondContact CE-OE1 3.43Å; K361-E365 WeakPolarHBondContact O-CG 3.43Å; K361-E365 PolarHBondContact O-N 3.27Å |
| 362 | E | 76.3 | Confident | 74.8 | Confident | 104 Ų | 104 | 81.1 Ų | 81.1 | 49% | 0.486 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 177.2 | -70.7 | 174 | -169.5 | 0 | 0 | 111.4 | Q358 M364 E365 Q366 | Q358-E362 WeakPolarHBondContact CG-OE1 3.14Å; Q358-E362 PolarHBondContact NE2-OE1 3.02Å; Q358-E362 PolarHBondContact O-N 2.86Å; E362-M364 VanDerWaalsContact C-N 3.34Å; E362-M364 PolarHBondContact O-N 2.85Å; E362-E365 PolarHBondContact O-N 2.97Å; E362-Q366 WeakPolarHBondContact O-CB 3.37Å; E362-Q366 PolarHBondContact O-N 2.76Å |
| 363 | M | 72.3 | Confident | 75 | Confident | 76 Ų | 76 | 82.5 Ų | 82.5 | 37% | 0.374 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.7 | -39.2 | 176 | -173.9 | 179.3 | 67 | 0 | 0 | 111.6 | T336 M359 K361 M367 | T336-M363 HydrophobicContact CG2-CE 3.25Å; M359-M363 WeakPolarHBondContact O-CB 3.43Å; M359-M363 PolarHBondContact O-N 2.89Å; K361-M363 PolarHBondContact O-N 2.88Å; M363-M367 WeakPolarHBondContact O-CB 3.12Å; M363-M367 PolarHBondContact O-N 3.09Å |
| 364 | M | 71.6 | Confident | 75.2 | Confident | 70 Ų | 70 | 81.6 Ų | 81.6 | 35% | 0.345 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.9 | -47.1 | 174.5 | -80.3 | -171.1 | -64.3 | 0 | 0 | 111.6 | L333 R360 K361 E362 Q366 M367 E368 | L333-M364 HydrophobicContact CD2-SD 4.28Å; R360-M364 VanDerWaalsContact O-CB 3.28Å; R360-M364 WeakPolarHBondContact O-CB 3.4Å; R360-M364 VanDerWaalsContact O-CG 3.23Å; R360-M364 WeakPolarHBondContact O-CG 3.2Å; R360-M364 PolarHBondContact O-N 3.06Å; K361-M364 PolarHBondContact O-N 3.39Å; E362-M364 VanDerWaalsContact C-N 3.34Å; E362-M364 PolarHBondContact O-N 2.85Å; M364-Q366 PolarHBondContact O-N 2.85Å; M364-M367 PolarHBondContact O-N 3.21Å; M364-E368 WeakPolarHBondContact O-CB 3.25Å; M364-E368 VanDerWaalsContact O-CG 3.23Å; M364-E368 WeakPolarHBondContact O-CG 3.24Å; M364-E368 PolarHBondContact O-N 2.84Å |
| 365 | E | 74.9 | Confident | 75.3 | Confident | 95 Ų | 95 | 77 Ų | 77 | 44% | 0.444 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.9 | -45.5 | 177.8 | -74.5 | 174.7 | -169.4 | 0 | 0 | 111.4 | K361 E362 M367 E368 I369 | K361-E365 VanDerWaalsContact CE-OE1 3.25Å; K361-E365 WeakPolarHBondContact CE-OE1 3.43Å; K361-E365 WeakPolarHBondContact O-CG 3.43Å; K361-E365 PolarHBondContact O-N 3.27Å; E362-E365 PolarHBondContact O-N 2.97Å; E365-M367 PolarHBondContact O-N 3.41Å; E365-E368 PolarHBondContact O-N 3.27Å; E365-I369 WeakPolarHBondContact O-CG1 3.41Å; E365-I369 PolarHBondContact O-N 3.05Å |
| 366 | Q | 75 | Confident | 75.5 | Confident | 130 Ų | 130 | 76.4 Ų | 76.4 | 61% | 0.607 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -64.4 | -40.7 | 176.6 | -169 | 179 | 9.8 | 0 | 0 | 111.8 | E362 M364 E368 N370 | E362-Q366 WeakPolarHBondContact O-CB 3.37Å; E362-Q366 PolarHBondContact O-N 2.76Å; M364-Q366 PolarHBondContact O-N 2.85Å; Q366-E368 VanDerWaalsContact C-N 3.34Å; Q366-N370 WeakPolarHBondContact O-CB 3.45Å; Q366-N370 PolarHBondContact O-N 3.07Å; Q366-N370 PolarHBondContact O-ND2 3.23Å |
| 367 | M | 71.2 | Confident | 75.8 | Confident | 63 Ų | 63 | 78.8 Ų | 78.8 | 31% | 0.31 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.4 | -38.7 | 175.6 | -175.8 | 176.8 | -167.8 | 0 | 0 | 111.8 | A332 M363 M364 E365 N370 L371 | A332-M367 HydrophobicContact CB-CE 3.49Å; A332-M367 VanDerWaalsContact CB-CE 3.49Å; M363-M367 WeakPolarHBondContact O-CB 3.12Å; M363-M367 PolarHBondContact O-N 3.09Å; M364-M367 PolarHBondContact O-N 3.21Å; E365-M367 PolarHBondContact O-N 3.41Å; M367-N370 PolarHBondContact O-N 3.01Å; M367-L371 HydrophobicContact CG-CD1 4.17Å; M367-L371 WeakPolarHBondContact O-CB 3.32Å; M367-L371 VanDerWaalsContact O-CG 3.22Å; M367-L371 WeakPolarHBondContact O-CG 3.48Å; M367-L371 PolarHBondContact O-N 3.29Å |
| 368 | E | 72.2 | Confident | 76.1 | Confident | 62 Ų | 62 | 78.8 Ų | 78.8 | 29% | 0.29 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.6 | -47.4 | 176.8 | -77.3 | 178.4 | 172.5 | 0 | 0 | 111.6 | K213 M364 E365 Q366 N370 L371 A372 | K213-E368 WeakPolarHBondContact CE-OE1 3.5Å; K213-E368 IonicContact NZ-OE1 3.16Å; K213-E368 PolarHBondContact NZ-OE1 2.65Å; M364-E368 WeakPolarHBondContact O-CB 3.25Å; M364-E368 VanDerWaalsContact O-CG 3.23Å; M364-E368 WeakPolarHBondContact O-CG 3.24Å; M364-E368 PolarHBondContact O-N 2.84Å; E365-E368 PolarHBondContact O-N 3.27Å; Q366-E368 VanDerWaalsContact C-N 3.34Å; E368-N370 VanDerWaalsContact C-N 3.34Å; E368-N370 PolarHBondContact O-N 3.41Å; E368-L371 PolarHBondContact O-N 3.28Å; E368-A372 PolarHBondContact O-N 3.47Å |
| 369 | I | 76.1 | Confident | 76.3 | Confident | 111 Ų | 111 | 76.1 Ų | 76.1 | 57% | 0.569 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -61.7 | -43.4 | 175.8 | -66 | 168.6 | 0 | 0 | 0 | 110.8 | E365 A372 T373 | E365-I369 WeakPolarHBondContact O-CG1 3.41Å; E365-I369 PolarHBondContact O-N 3.05Å; I369-A372 PolarHBondContact O-N 3.41Å; I369-T373 WeakPolarHBondContact O-CB 3.44Å; I369-T373 PolarHBondContact O-N 3.33Å; I369-T373 PolarHBondContact O-OG1 2.96Å |
| 370 | N | 75.2 | Confident | 77 | Confident | 84 Ų | 84 | 75 Ų | 75 | 45% | 0.449 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 177.1 | -75.2 | -20.2 | 0 | 0 | 0 | 111.4 | Q366 M367 E368 T373 I374 | Q366-N370 WeakPolarHBondContact O-CB 3.45Å; Q366-N370 PolarHBondContact O-N 3.07Å; Q366-N370 PolarHBondContact O-ND2 3.23Å; M367-N370 PolarHBondContact O-N 3.01Å; E368-N370 VanDerWaalsContact C-N 3.34Å; E368-N370 PolarHBondContact O-N 3.41Å; N370-T373 PolarHBondContact O-N 3.03Å; N370-I374 WeakPolarHBondContact O-CB 3.5Å; N370-I374 WeakPolarHBondContact O-CD1 3.49Å; N370-I374 WeakPolarHBondContact O-CG1 3.27Å; N370-I374 PolarHBondContact O-N 3.21Å |
| 371 | L | 76.6 | Confident | 77.7 | Confident | 20 Ų | 20 | 72.8 Ų | 72.8 | 11% | 0.105 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.8 | -47.9 | 176.8 | -76.5 | 172.4 | 0 | 0 | 0 | 111.6 | L329 M367 E368 T373 I374 E375 | L329-L371 HydrophobicContact CD2-CD1 4.36Å; M367-L371 HydrophobicContact CG-CD1 4.17Å; M367-L371 WeakPolarHBondContact O-CB 3.32Å; M367-L371 VanDerWaalsContact O-CG 3.22Å; M367-L371 WeakPolarHBondContact O-CG 3.48Å; M367-L371 PolarHBondContact O-N 3.29Å; E368-L371 PolarHBondContact O-N 3.28Å; L371-T373 VanDerWaalsContact C-N 3.33Å; L371-T373 PolarHBondContact O-N 3.29Å; L371-I374 PolarHBondContact O-N 3.27Å; L371-E375 WeakPolarHBondContact O-CG 3.48Å; L371-E375 PolarHBondContact O-N 3.42Å |
| 372 | A | 75 | Confident | 78.4 | Confident | 36 Ų | 36 | 67.9 Ų | 67.9 | 30% | 0.298 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60 | -42.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I214 E368 I369 E375 A376 | I214-A372 HydrophobicContact CD1-CB 4.33Å; E368-A372 PolarHBondContact O-N 3.47Å; I369-A372 PolarHBondContact O-N 3.41Å; A372-E375 PolarHBondContact O-N 3.22Å; A372-A376 PolarHBondContact O-N 3.2Å |
| 373 | T | 78.8 | Confident | 78.9 | Confident | 70 Ų | 70 | 66.7 Ų | 66.7 | 43% | 0.429 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.8 | -44.8 | 176.6 | -55 | 0 | 0 | 0 | 0 | 111.4 | I369 N370 L371 E375 A376 Q377 | I369-T373 WeakPolarHBondContact O-CB 3.44Å; I369-T373 PolarHBondContact O-N 3.33Å; I369-T373 PolarHBondContact O-OG1 2.96Å; N370-T373 PolarHBondContact O-N 3.03Å; L371-T373 VanDerWaalsContact C-N 3.33Å; L371-T373 PolarHBondContact O-N 3.29Å; T373-E375 VanDerWaalsContact C-N 3.32Å; T373-E375 PolarHBondContact O-N 3.22Å; T373-A376 PolarHBondContact O-N 3.09Å; T373-Q377 WeakPolarHBondContact O-CG 3.05Å; T373-Q377 PolarHBondContact O-N 2.95Å |
| 374 | I | 80.1 | Confident | 79.8 | Confident | 62 Ų | 62 | 66.5 Ų | 66.5 | 32% | 0.318 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.9 | -40.8 | 175.4 | -71.8 | 164.8 | 0 | 0 | 0 | 110.9 | N370 L371 Q377 N378 | N370-I374 WeakPolarHBondContact O-CB 3.5Å; N370-I374 WeakPolarHBondContact O-CD1 3.49Å; N370-I374 WeakPolarHBondContact O-CG1 3.27Å; N370-I374 PolarHBondContact O-N 3.21Å; L371-I374 PolarHBondContact O-N 3.27Å; I374-Q377 PolarHBondContact O-N 3.27Å; I374-N378 WeakPolarHBondContact CG2-ND2 3.18Å; I374-N378 WeakPolarHBondContact O-CB 3.01Å; I374-N378 PolarHBondContact O-N 3.08Å; I374-N378 PolarHBondContact O-ND2 3.32Å |
| 375 | E | 80.5 | Confident | 80.6 | Confident | 6 Ų | 6 | 68.9 Ų | 68.9 | 3% | 0.028 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -68.4 | -40.7 | 179.6 | -68.6 | -56.8 | 163.5 | 0 | 0 | 112.3 | I214 R216 R328 L371 A372 T373 N378 Q379 | I214-E375 HydrophobicContact CG2-CB 4.03Å; I214-E375 HydrophobicContact CG2-CG 4.12Å; R216-E375 IonicContact CZ-OE2 2.68Å; R216-E375 IonicContact NE-OE1 3.55Å; R216-E375 PolarHBondContact NE-OE1 2.75Å; R216-E375 IonicContact NE-OE2 2.63Å; R216-E375 PolarHBondContact NE-OE2 3.48Å; R216-E375 IonicContact NH2-OE2 2.7Å; R216-E375 PolarHBondContact NH2-OE2 3.16Å; R328-E375 IonicContact CZ-OE1 2.72Å; R328-E375 IonicContact NH1-OE1 3.82Å; R328-E375 PolarHBondContact NH1-OE1 2.86Å; L371-E375 WeakPolarHBondContact O-CG 3.48Å; L371-E375 PolarHBondContact O-N 3.42Å; A372-E375 PolarHBondContact O-N 3.22Å; T373-E375 VanDerWaalsContact C-N 3.32Å; T373-E375 PolarHBondContact O-N 3.22Å; E375-N378 PolarHBondContact O-N 3.18Å; E375-Q379 WeakPolarHBondContact O-CB 3.11Å; E375-Q379 PolarHBondContact O-N 3.34Å |
| 376 | A | 79.2 | Confident | 81.3 | Confident | 57 Ų | 57 | 65.4 Ų | 65.4 | 47% | 0.471 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A372 T373 Q379 A380 | A372-A376 PolarHBondContact O-N 3.2Å; T373-A376 PolarHBondContact O-N 3.09Å; A376-Q379 PolarHBondContact O-N 3Å; A376-A380 PolarHBondContact O-N 3.11Å |
| 377 | Q | 81.3 | Confident | 82 | Confident | 127 Ų | 127 | 65.2 Ų | 65.2 | 59% | 0.593 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -63 | -44.5 | 174.6 | -73.4 | 177.6 | -5.6 | 0 | 0 | 112 | T373 I374 Q379 A380 A381 | T373-Q377 WeakPolarHBondContact O-CG 3.05Å; T373-Q377 PolarHBondContact O-N 2.95Å; I374-Q377 PolarHBondContact O-N 3.27Å; Q377-Q379 VanDerWaalsContact C-N 3.28Å; Q377-Q379 PolarHBondContact O-N 2.73Å; Q377-A380 PolarHBondContact O-N 2.98Å; Q377-A381 WeakPolarHBondContact O-CB 3.33Å; Q377-A381 PolarHBondContact O-N 3.26Å |
| 378 | N | 84.1 | Confident | 82.7 | Confident | 66 Ų | 66 | 66.3 Ų | 66.3 | 35% | 0.353 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.3 | -36.8 | 176.1 | -73.1 | -25.5 | 0 | 0 | 0 | 111.8 | I374 E375 F382 | I374-N378 WeakPolarHBondContact CG2-ND2 3.18Å; I374-N378 WeakPolarHBondContact O-CB 3.01Å; I374-N378 PolarHBondContact O-N 3.08Å; I374-N378 PolarHBondContact O-ND2 3.32Å; E375-N378 PolarHBondContact O-N 3.18Å; N378-F382 WeakPolarHBondContact O-CB 3.3Å; N378-F382 PolarHBondContact O-N 3.37Å |
| 379 | Q | 83.6 | Confident | 83.3 | Confident | 53 Ų | 53 | 63.7 Ų | 63.7 | 25% | 0.248 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.5 | -50.8 | 177.5 | -162.9 | -165.7 | -38.8 | 0 | 0 | 111.4 | L206 E375 A376 Q377 A381 F382 D383 | L206-Q379 HydrophobicContact CD1-CG 4.41Å; E375-Q379 WeakPolarHBondContact O-CB 3.11Å; E375-Q379 PolarHBondContact O-N 3.34Å; A376-Q379 PolarHBondContact O-N 3Å; Q377-Q379 VanDerWaalsContact C-N 3.28Å; Q377-Q379 PolarHBondContact O-N 2.73Å; Q379-A381 VanDerWaalsContact C-N 3.29Å; Q379-A381 PolarHBondContact O-N 3.47Å; Q379-F382 WeakPolarHBondContact O-CB 3.39Å; Q379-F382 PolarHBondContact O-N 3.34Å; Q379-F382 VanDerWaalsContact O-N 3.09Å; Q379-D383 PolarHBondContact O-N 2.89Å |
| 380 | A | 85.9 | Confident | 83.8 | Confident | 61 Ų | 61 | 63.7 Ų | 63.7 | 50% | 0.504 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.8 | -40.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A376 Q377 F382 D383 E384 | A376-A380 PolarHBondContact O-N 3.11Å; Q377-A380 PolarHBondContact O-N 2.98Å; A380-F382 VanDerWaalsContact C-N 3.34Å; A380-F382 PolarHBondContact O-N 3.25Å; A380-D383 PolarHBondContact O-N 3.47Å; A380-E384 PolarHBondContact O-N 2.96Å; A380-E384 VanDerWaalsContact O-N 3.09Å |
| 381 | A | 87.3 | Confident | 84.2 | Confident | 49 Ų | 49 | 63.5 Ų | 63.5 | 41% | 0.405 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.7 | -35.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q377 Q379 K385 | Q377-A381 WeakPolarHBondContact O-CB 3.33Å; Q377-A381 PolarHBondContact O-N 3.26Å; Q379-A381 VanDerWaalsContact C-N 3.29Å; Q379-A381 PolarHBondContact O-N 3.47Å; A381-K385 WeakPolarHBondContact O-CB 3.35Å; A381-K385 VanDerWaalsContact O-CG 3.29Å; A381-K385 WeakPolarHBondContact O-CG 3.44Å; A381-K385 PolarHBondContact O-N 2.87Å; A381-K385 VanDerWaalsContact O-N 3.12Å |
| 382 | F | 88.8 | Confident | 84.4 | Confident | 23 Ų | 23 | 65.2 Ų | 65.2 | 10% | 0.101 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.6 | -47.4 | 174.7 | 177.1 | -88.5 | 0 | 0 | 0 | 111.3 | Q117 T119 P163 N378 Q379 A380 E384 K385 L386 | Q117-F382 HydrophobicContact CB-CD1 4.39Å; Q117-F382 HydrophobicContact CB-CD2 4.04Å; Q117-F382 HydrophobicContact CB-CE1 4.12Å; Q117-F382 HydrophobicContact CB-CE2 3.75Å; Q117-F382 HydrophobicContact CB-CG 4.36Å; Q117-F382 HydrophobicContact CB-CZ 3.8Å; Q117-F382 HydrophobicContact CG-CD1 3.83Å; Q117-F382 HydrophobicContact CG-CD2 4.2Å; Q117-F382 HydrophobicContact CG-CE1 3.88Å; Q117-F382 HydrophobicContact CG-CE2 4.24Å; Q117-F382 HydrophobicContact CG-CG 4.01Å; Q117-F382 HydrophobicContact CG-CZ 4.1Å; T119-F382 HydrophobicContact CG2-CD2 4.15Å; T119-F382 HydrophobicContact CG2-CE2 3.69Å; P163-F382 HydrophobicContact CB-CD2 4.1Å; P163-F382 HydrophobicContact CB-CE2 3.55Å; P163-F382 HydrophobicContact CB-CZ 3.81Å; N378-F382 WeakPolarHBondContact O-CB 3.3Å; N378-F382 PolarHBondContact O-N 3.37Å; Q379-F382 WeakPolarHBondContact O-CB 3.39Å; Q379-F382 PolarHBondContact O-N 3.34Å; Q379-F382 VanDerWaalsContact O-N 3.09Å; A380-F382 VanDerWaalsContact C-N 3.34Å; A380-F382 PolarHBondContact O-N 3.25Å; F382-E384 VanDerWaalsContact C-N 3.32Å; F382-E384 PolarHBondContact O-N 3.4Å; F382-K385 CarbonylContact O-C 3.59Å; F382-K385 PolarHBondContact O-N 3.16Å; F382-L386 HydrophobicContact CE1-CB 4.43Å; F382-L386 HydrophobicContact CE1-CD2 4.1Å; F382-L386 WeakPolarHBondContact O-CB 3.39Å; F382-L386 PolarHBondContact O-N 3.22Å |
| 383 | D | 88.2 | Confident | 84.4 | Confident | 79 Ų | 79 | 64.4 Ų | 64.4 | 42% | 0.422 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62 | -41.2 | -178.4 | -66.7 | -26.2 | 0 | 0 | 0 | 111.4 | Q379 A380 L386 R387 | Q379-D383 PolarHBondContact O-N 2.89Å; A380-D383 PolarHBondContact O-N 3.47Å; D383-L386 PolarHBondContact O-N 3.21Å; D383-R387 WeakPolarHBondContact O-CB 3.24Å; D383-R387 PolarHBondContact O-N 3.4Å |
| 384 | E | 90 | Very high | 84.2 | Confident | 72 Ų | 72 | 65.3 Ų | 65.3 | 34% | 0.336 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.8 | -43.8 | 174.6 | 175.4 | 54.3 | -162.2 | 0 | 0 | 111.9 | A380 F382 L386 R387 Q388 | A380-E384 PolarHBondContact O-N 2.96Å; A380-E384 VanDerWaalsContact O-N 3.09Å; F382-E384 VanDerWaalsContact C-N 3.32Å; F382-E384 PolarHBondContact O-N 3.4Å; E384-L386 VanDerWaalsContact C-N 3.32Å; E384-L386 PolarHBondContact O-N 3.36Å; E384-R387 VanDerWaalsContact CD-NH2 3.3Å; E384-R387 WeakPolarHBondContact O-CB 3.05Å; E384-R387 PolarHBondContact O-N 2.94Å; E384-R387 IonicContact OE1-CZ 3.46Å; E384-R387 IonicContact OE1-NE 3.32Å; E384-R387 IonicContact OE1-NH2 2.76Å; E384-R387 PolarHBondContact OE1-NH2 3.02Å; E384-R387 IonicContact OE2-CZ 2.69Å; E384-R387 IonicContact OE2-NE 3.62Å; E384-R387 PolarHBondContact OE2-NE 3.16Å; E384-R387 IonicContact OE2-NH2 3.62Å; E384-R387 PolarHBondContact OE2-NH2 3.37Å; E384-R387 VanDerWaalsContact OE2-NH2 3.1Å; E384-Q388 VanDerWaalsContact O-CG 3.32Å; E384-Q388 WeakPolarHBondContact O-CG 3.49Å; E384-Q388 PolarHBondContact O-N 3.25Å; E384-Q388 PolarHBondContact OE1-NE2 3.37Å |
| 385 | K | 89.5 | Confident | 83.8 | Confident | 120 Ų | 120 | 66.3 Ų | 66.3 | 52% | 0.522 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.7 | -35.7 | 175 | -74.6 | 179.4 | 178 | -177.2 | 0 | 112.3 | P163 A381 F382 Q388 A389 | P163-K385 HydrophobicContact CG-CB 3.76Å; P163-K385 WeakPolarHBondContact CG-O 3.28Å; A381-K385 WeakPolarHBondContact O-CB 3.35Å; A381-K385 VanDerWaalsContact O-CG 3.29Å; A381-K385 WeakPolarHBondContact O-CG 3.44Å; A381-K385 PolarHBondContact O-N 2.87Å; A381-K385 VanDerWaalsContact O-N 3.12Å; F382-K385 CarbonylContact O-C 3.59Å; F382-K385 PolarHBondContact O-N 3.16Å; K385-Q388 PolarHBondContact O-N 3.49Å; K385-A389 VanDerWaalsContact O-CB 3.29Å; K385-A389 WeakPolarHBondContact O-CB 3.09Å; K385-A389 PolarHBondContact O-N 3.47Å |
| 386 | L | 88.9 | Confident | 83 | Confident | 22 Ų | 22 | 68.2 Ų | 68.2 | 12% | 0.115 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66 | -42.9 | 176.5 | -178.1 | 62.8 | 0 | 0 | 0 | 110.9 | P163 F382 D383 E384 A389 R390 | P163-L386 HydrophobicContact CB-CB 4.04Å; P163-L386 HydrophobicContact CB-CD1 4.03Å; P163-L386 VanDerWaalsContact CG-CA 3.48Å; P163-L386 HydrophobicContact CG-CB 4.09Å; P163-L386 HydrophobicContact CG-CD1 4.43Å; P163-L386 VanDerWaalsContact CG-N 3.35Å; F382-L386 HydrophobicContact CE1-CB 4.43Å; F382-L386 HydrophobicContact CE1-CD2 4.1Å; F382-L386 WeakPolarHBondContact O-CB 3.39Å; F382-L386 PolarHBondContact O-N 3.22Å; D383-L386 PolarHBondContact O-N 3.21Å; E384-L386 VanDerWaalsContact C-N 3.32Å; E384-L386 PolarHBondContact O-N 3.36Å; L386-A389 PolarHBondContact O-N 2.8Å; L386-R390 WeakPolarHBondContact O-CG 3.44Å; L386-R390 PolarHBondContact O-N 2.98Å |
| 387 | R | 88.7 | Confident | 82 | Confident | 127 Ų | 127 | 70.1 Ų | 70.1 | 48% | 0.479 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.8 | -45.8 | 173 | -169.9 | -171.9 | 69.6 | 79.9 | 2.8 | 111.3 | D383 E384 R390 L391 | D383-R387 WeakPolarHBondContact O-CB 3.24Å; D383-R387 PolarHBondContact O-N 3.4Å; E384-R387 VanDerWaalsContact CD-NH2 3.3Å; E384-R387 WeakPolarHBondContact O-CB 3.05Å; E384-R387 PolarHBondContact O-N 2.94Å; E384-R387 IonicContact OE1-CZ 3.46Å; E384-R387 IonicContact OE1-NE 3.32Å; E384-R387 IonicContact OE1-NH2 2.76Å; E384-R387 PolarHBondContact OE1-NH2 3.02Å; E384-R387 IonicContact OE2-CZ 2.69Å; E384-R387 IonicContact OE2-NE 3.62Å; E384-R387 PolarHBondContact OE2-NE 3.16Å; E384-R387 IonicContact OE2-NH2 3.62Å; E384-R387 PolarHBondContact OE2-NH2 3.37Å; E384-R387 VanDerWaalsContact OE2-NH2 3.1Å; R387-R390 PolarHBondContact O-N 2.96Å; R387-L391 HydrophobicContact CG-CD1 4.43Å; R387-L391 VanDerWaalsContact NH1-CD1 3.25Å; R387-L391 WeakPolarHBondContact O-CB 3.42Å; R387-L391 WeakPolarHBondContact O-CG 3.37Å; R387-L391 PolarHBondContact O-N 3.11Å |
| 388 | Q | 86.3 | Confident | 80.7 | Confident | 86 Ų | 86 | 67 Ų | 67 | 40% | 0.402 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.7 | -48.1 | 175.3 | -71 | 175.4 | 6.9 | 0 | 0 | 111.5 | E384 K385 R390 L391 E392 | E384-Q388 VanDerWaalsContact O-CG 3.32Å; E384-Q388 WeakPolarHBondContact O-CG 3.49Å; E384-Q388 PolarHBondContact O-N 3.25Å; E384-Q388 PolarHBondContact OE1-NE2 3.37Å; K385-Q388 PolarHBondContact O-N 3.49Å; Q388-R390 VanDerWaalsContact C-N 3.29Å; Q388-R390 PolarHBondContact O-N 2.9Å; Q388-L391 CarbonylContact O-C 3.46Å; Q388-L391 WeakPolarHBondContact O-CB 3.34Å; Q388-L391 PolarHBondContact O-N 3.37Å; Q388-E392 WeakPolarHBondContact O-CB 3.43Å; Q388-E392 VanDerWaalsContact O-CG 3.28Å; Q388-E392 WeakPolarHBondContact O-CG 3.32Å; Q388-E392 PolarHBondContact O-N 3.41Å |
| 389 | A | 85.5 | Confident | 78.7 | Confident | 6 Ų | 6 | 69.7 Ų | 69.7 | 5% | 0.05 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.6 | -35.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | V162 P163 R173 K385 L386 E392 I393 | V162-A389 HydrophobicContact CG1-CB 3.98Å; P163-A389 HydrophobicContact CG-CB 4.05Å; R173-A389 PolarHBondContact NH2-O 3.44Å; K385-A389 VanDerWaalsContact O-CB 3.29Å; K385-A389 WeakPolarHBondContact O-CB 3.09Å; K385-A389 PolarHBondContact O-N 3.47Å; L386-A389 PolarHBondContact O-N 2.8Å; A389-E392 WeakPolarHBondContact O-CB 3.48Å; A389-I393 WeakPolarHBondContact O-CG1 3.43Å; A389-I393 PolarHBondContact O-N 2.9Å; A389-I393 VanDerWaalsContact O-N 3.16Å |
| 390 | R | 86.6 | Confident | 76.7 | Confident | 111 Ų | 111 | 73 Ų | 73 | 42% | 0.419 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -70.9 | -46.4 | 173.9 | -75.1 | 174.2 | 169.8 | 170.7 | -2.8 | 112 | E169 L386 R387 Q388 E392 I393 T394 | E169-R390 IonicContact OE1-CZ 2.69Å; E169-R390 VanDerWaalsContact OE1-CZ 3.29Å; E169-R390 IonicContact OE1-NE 2.81Å; E169-R390 PolarHBondContact OE1-NE 3.02Å; E169-R390 IonicContact OE1-NH2 2.97Å; E169-R390 PolarHBondContact OE1-NH2 2.82Å; E169-R390 IonicContact OE2-NE 3.8Å; L386-R390 WeakPolarHBondContact O-CG 3.44Å; L386-R390 PolarHBondContact O-N 2.98Å; R387-R390 PolarHBondContact O-N 2.96Å; Q388-R390 VanDerWaalsContact C-N 3.29Å; Q388-R390 PolarHBondContact O-N 2.9Å; R390-E392 PolarHBondContact O-N 2.55Å; R390-I393 PolarHBondContact O-N 2.85Å; R390-I393 VanDerWaalsContact O-N 3.13Å; R390-T394 PolarHBondContact O-N 2.83Å; R390-T394 PolarHBondContact O-OG1 3.27Å; R390-T394 VanDerWaalsContact O-OG1 3.06Å |
| 391 | L | 84.3 | Confident | 74.4 | Confident | 80 Ų | 80 | 72.4 Ų | 72.4 | 42% | 0.419 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -57.9 | -37.2 | 173.2 | -75 | 171.9 | 0 | 0 | 0 | 111.4 | R387 Q388 T394 Q395 | R387-L391 HydrophobicContact CG-CD1 4.43Å; R387-L391 VanDerWaalsContact NH1-CD1 3.25Å; R387-L391 WeakPolarHBondContact O-CB 3.42Å; R387-L391 WeakPolarHBondContact O-CG 3.37Å; R387-L391 PolarHBondContact O-N 3.11Å; Q388-L391 CarbonylContact O-C 3.46Å; Q388-L391 WeakPolarHBondContact O-CB 3.34Å; Q388-L391 PolarHBondContact O-N 3.37Å; L391-T394 PolarHBondContact O-N 2.99Å; L391-Q395 VanDerWaalsContact O-CB 3.23Å; L391-Q395 WeakPolarHBondContact O-CB 3.39Å; L391-Q395 VanDerWaalsContact O-CG 3.23Å; L391-Q395 WeakPolarHBondContact O-CG 3.38Å; L391-Q395 PolarHBondContact O-N 2.69Å |
| 392 | E | 80.5 | Confident | 71.7 | Confident | 57 Ų | 57 | 80.2 Ų | 80.2 | 27% | 0.266 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 176.6 | -77.4 | -179.2 | 177.5 | 0 | 0 | 112.5 | R136 R173 Q388 A389 R390 Q396 | R136-E392 PolarHBondContact NH2-O 2.98Å; R173-E392 IonicContact CZ-OE2 3.17Å; R173-E392 IonicContact NH1-OE2 3.79Å; R173-E392 IonicContact NH2-OE2 3.56Å; R173-E392 PolarHBondContact NH2-OE2 3.37Å; Q388-E392 WeakPolarHBondContact O-CB 3.43Å; Q388-E392 VanDerWaalsContact O-CG 3.28Å; Q388-E392 WeakPolarHBondContact O-CG 3.32Å; Q388-E392 PolarHBondContact O-N 3.41Å; A389-E392 WeakPolarHBondContact O-CB 3.48Å; R390-E392 PolarHBondContact O-N 2.55Å; E392-Q396 WeakPolarHBondContact O-CB 3.42Å; E392-Q396 VanDerWaalsContact O-CG 3.22Å; E392-Q396 WeakPolarHBondContact O-CG 3.41Å; E392-Q396 PolarHBondContact O-N 2.86Å |
| 393 | I | 73.9 | Confident | 69.2 | Low | 19 Ų | 19 | 88.4 Ų | 88.4 | 10% | 0.097 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -67 | -45.8 | 175.8 | -70.9 | 170.8 | 0 | 0 | 0 | 109.5 | Q172 R173 A389 R390 Q395 Q396 T397 | Q172-I393 VanDerWaalsContact OE1-CG2 3.27Å; R173-I393 HydrophobicContact CG-CD1 4.49Å; A389-I393 WeakPolarHBondContact O-CG1 3.43Å; A389-I393 PolarHBondContact O-N 2.9Å; A389-I393 VanDerWaalsContact O-N 3.16Å; R390-I393 PolarHBondContact O-N 2.85Å; R390-I393 VanDerWaalsContact O-N 3.13Å; I393-Q395 VanDerWaalsContact C-N 3.33Å; I393-Q395 PolarHBondContact O-N 2.66Å; I393-Q396 CarbonylContact O-C 3.49Å; I393-Q396 PolarHBondContact O-N 3.3Å; I393-T397 WeakPolarHBondContact O-CB 3.28Å; I393-T397 PolarHBondContact O-N 2.93Å; I393-T397 PolarHBondContact O-OG1 3.05Å |
| 394 | T | 75.2 | Confident | 66.7 | Low | 89 Ų | 89 | 87.8 Ų | 87.8 | 55% | 0.546 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.2 | -44.8 | 176.9 | -53.9 | 0 | 0 | 0 | 0 | 111 | R390 L391 T397 A398 | R390-T394 PolarHBondContact O-N 2.83Å; R390-T394 PolarHBondContact O-OG1 3.27Å; R390-T394 VanDerWaalsContact O-OG1 3.06Å; L391-T394 PolarHBondContact O-N 2.99Å; T394-T397 PolarHBondContact O-N 3.12Å; T394-A398 WeakPolarHBondContact O-CB 3.45Å; T394-A398 PolarHBondContact O-N 3.3Å |
| 395 | Q | 71.2 | Confident | 63.8 | Low | 82 Ų | 82 | 86.4 Ų | 86.4 | 38% | 0.383 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.2 | -46.6 | 171.9 | -78.3 | 174.5 | -3.2 | 0 | 0 | 110.8 | L391 I393 T397 A398 E399 | L391-Q395 VanDerWaalsContact O-CB 3.23Å; L391-Q395 WeakPolarHBondContact O-CB 3.39Å; L391-Q395 VanDerWaalsContact O-CG 3.23Å; L391-Q395 WeakPolarHBondContact O-CG 3.38Å; L391-Q395 PolarHBondContact O-N 2.69Å; I393-Q395 VanDerWaalsContact C-N 3.33Å; I393-Q395 PolarHBondContact O-N 2.66Å; Q395-T397 VanDerWaalsContact C-N 3.26Å; Q395-T397 PolarHBondContact O-N 3.41Å; Q395-A398 CarbonylContact O-C 3.36Å; Q395-A398 PolarHBondContact O-N 3.47Å; Q395-A398 VanDerWaalsContact O-N 3.08Å; Q395-E399 HydrophobicContact CB-CG 4.48Å; Q395-E399 VanDerWaalsContact O-CA 3.3Å; Q395-E399 WeakPolarHBondContact O-CA 3.34Å; Q395-E399 WeakPolarHBondContact O-CB 3.47Å; Q395-E399 VanDerWaalsContact O-CG 3.26Å; Q395-E399 WeakPolarHBondContact O-CG 3.4Å; Q395-E399 PolarHBondContact O-N 2.81Å |
| 396 | Q | 64.3 | Low | 61.3 | Low | 47 Ų | 47 | 85.4 Ų | 85.4 | 22% | 0.22 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -62.5 | -35.5 | 176.5 | -78.1 | 173.1 | 13.8 | 0 | 0 | 112.1 | E392 I393 A398 L400 | E392-Q396 WeakPolarHBondContact O-CB 3.42Å; E392-Q396 VanDerWaalsContact O-CG 3.22Å; E392-Q396 WeakPolarHBondContact O-CG 3.41Å; E392-Q396 PolarHBondContact O-N 2.86Å; I393-Q396 CarbonylContact O-C 3.49Å; I393-Q396 PolarHBondContact O-N 3.3Å; Q396-A398 VanDerWaalsContact C-N 3.29Å; Q396-L400 WeakPolarHBondContact O-CA 3.27Å; Q396-L400 WeakPolarHBondContact O-CB 3.19Å; Q396-L400 VanDerWaalsContact O-CD1 3.24Å; Q396-L400 WeakPolarHBondContact O-CD1 3.25Å; Q396-L400 WeakPolarHBondContact O-CG 3.31Å; Q396-L400 PolarHBondContact O-N 3.07Å |
| 397 | T | 58.4 | Low | 59.1 | Low | 96 Ų | 96 | 86.8 Ų | 86.8 | 59% | 0.589 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -71.2 | -28.3 | 176.6 | -50.5 | 0 | 0 | 0 | 0 | 111.2 | I393 T394 Q395 | I393-T397 WeakPolarHBondContact O-CB 3.28Å; I393-T397 PolarHBondContact O-N 2.93Å; I393-T397 PolarHBondContact O-OG1 3.05Å; T394-T397 PolarHBondContact O-N 3.12Å; Q395-T397 VanDerWaalsContact C-N 3.26Å; Q395-T397 PolarHBondContact O-N 3.41Å |
| 398 | A | 52.6 | Low | 57 | Low | 63 Ų | 63 | 91.1 Ų | 91.1 | 52% | 0.521 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -95.9 | -26 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | T394 Q395 Q396 | T394-A398 WeakPolarHBondContact O-CB 3.45Å; T394-A398 PolarHBondContact O-N 3.3Å; Q395-A398 CarbonylContact O-C 3.36Å; Q395-A398 PolarHBondContact O-N 3.47Å; Q395-A398 VanDerWaalsContact O-N 3.08Å; Q396-A398 VanDerWaalsContact C-N 3.29Å |
| 399 | E | 43.7 | Very low | 55.2 | Low | 122 Ų | 122 | 92.1 Ų | 92.1 | 57% | 0.57 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -100.2 | -8.4 | 177.5 | -65 | -177.3 | 168.2 | 0 | 0 | 111.4 | Q395 P401 | Q395-E399 HydrophobicContact CB-CG 4.48Å; Q395-E399 VanDerWaalsContact O-CA 3.3Å; Q395-E399 WeakPolarHBondContact O-CA 3.34Å; Q395-E399 WeakPolarHBondContact O-CB 3.47Å; Q395-E399 VanDerWaalsContact O-CG 3.26Å; Q395-E399 WeakPolarHBondContact O-CG 3.4Å; Q395-E399 PolarHBondContact O-N 2.81Å; E399-P401 VanDerWaalsContact C-N 3.26Å; E399-P401 WeakPolarHBondContact O-CA 3.42Å; E399-P401 WeakPolarHBondContact O-CB 3.38Å; E399-P401 VanDerWaalsContact O-CD 3.27Å; E399-P401 WeakPolarHBondContact O-CD 3.42Å; E399-P401 WeakPolarHBondContact O-CG 3.31Å |
| 400 | L | 41.6 | Very low | 53.8 | Low | 122 Ų | 122 | 92.3 Ų | 92.3 | 64% | 0.639 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -53.5 | 101 | 144.2 | -90 | 159.2 | 0 | 0 | 0 | 104.7 | Q396 | Q396-L400 WeakPolarHBondContact O-CA 3.27Å; Q396-L400 WeakPolarHBondContact O-CB 3.19Å; Q396-L400 VanDerWaalsContact O-CD1 3.24Å; Q396-L400 WeakPolarHBondContact O-CD1 3.25Å; Q396-L400 WeakPolarHBondContact O-CG 3.31Å; Q396-L400 PolarHBondContact O-N 3.07Å |
| 401 | P | 37 | Very low | 52.8 | Low | 49 Ų | 49 | 88 Ų | 88 | 32% | 0.318 | 46% | 0.46 | S | S | . | . | -76.3 | 151.9 | -128 | -17.8 | 29.2 | 0 | 0 | 0 | 112.7 | E399 K403 S404 | E399-P401 VanDerWaalsContact C-N 3.26Å; E399-P401 WeakPolarHBondContact O-CA 3.42Å; E399-P401 WeakPolarHBondContact O-CB 3.38Å; E399-P401 VanDerWaalsContact O-CD 3.27Å; E399-P401 WeakPolarHBondContact O-CD 3.42Å; E399-P401 WeakPolarHBondContact O-CG 3.31Å; P401-K403 HydrophobicContact CB-CB 3.84Å; P401-K403 VanDerWaalsContact CB-N 3.32Å; P401-K403 PolarHBondContact O-N 3.18Å; P401-S404 WeakPolarHBondContact CD-OG 3.05Å; P401-S404 CarbonylContact O-C 3.57Å; P401-S404 WeakPolarHBondContact O-CA 3.3Å; P401-S404 PolarHBondContact O-N 2.83Å | |||
| 402 | K | 31 | Very low | 52.1 | Low | 212 Ų | 212 | 92.4 Ų | 92.4 | 92% | 0.922 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -0.7 | 150 | -69.2 | 177.4 | 176.7 | 175.8 | 0 | 113.6 | ||
| 403 | K | 35.6 | Very low | 52.1 | Low | 196 Ų | 196 | 92.7 Ų | 92.7 | 85% | 0.852 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -10 | 163.1 | -69.8 | -172.6 | 175.1 | -179 | 0 | 114.4 | P401 | P401-K403 HydrophobicContact CB-CB 3.84Å; P401-K403 VanDerWaalsContact CB-N 3.32Å; P401-K403 PolarHBondContact O-N 3.18Å |
| 404 | S | 35.1 | Very low | 52.8 | Low | 65 Ų | 65 | 94.9 Ų | 94.9 | 46% | 0.455 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -136.3 | 69.9 | 177.7 | -29.2 | 0 | 0 | 0 | 0 | 107.9 | P401 D406 | P401-S404 WeakPolarHBondContact CD-OG 3.05Å; P401-S404 CarbonylContact O-C 3.57Å; P401-S404 WeakPolarHBondContact O-CA 3.3Å; P401-S404 PolarHBondContact O-N 2.83Å; S404-D406 PolarHBondContact O-N 3.37Å; S404-D406 VanDerWaalsContact O-N 3.16Å |
| 405 | G | 30.5 | Very low | 53.7 | Low | 44 Ų | 44 | 90.6 Ų | 90.6 | 45% | 0.454 | 47% | 0.467 | S | S | . | . | trans | -46.9 | 122.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | T407 | G405-T407 PolarHBondContact O-N 2.94Å; G405-T407 VanDerWaalsContact O-N 3.16Å | ||
| 406 | D | 36.2 | Very low | 54.7 | Low | 99 Ų | 99 | 88.2 Ų | 88.2 | 53% | 0.529 | 45% | 0.454 | S | S | . | . | trans | 45.2 | 59.6 | 147.3 | -130.9 | -13.3 | 0 | 0 | 0 | 114.2 | S404 R408 I409 S410 | S404-D406 PolarHBondContact O-N 3.37Å; S404-D406 VanDerWaalsContact O-N 3.16Å; D406-R408 VanDerWaalsContact C-N 3.28Å; D406-R408 PolarHBondContact O-N 3.45Å; D406-I409 HydrophobicContact CB-CB 4.16Å; D406-I409 PolarHBondContact O-N 2.99Å; D406-I409 VanDerWaalsContact O-N 3.13Å; D406-I409 WeakPolarHBondContact OD1-CD1 3.43Å; D406-I409 WeakPolarHBondContact OD2-CD1 3.37Å; D406-S410 WeakPolarHBondContact O-CA 3.49Å; D406-S410 WeakPolarHBondContact O-CB 3.39Å; D406-S410 PolarHBondContact O-N 3.46Å | ||
| 407 | T | 43.6 | Very low | 56.1 | Low | 50 Ų | 50 | 86 Ų | 86 | 31% | 0.307 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -55.3 | -40.1 | -171.3 | -46.5 | 0 | 0 | 0 | 0 | 112.6 | G405 T411 I431 V433 | G405-T407 PolarHBondContact O-N 2.94Å; G405-T407 VanDerWaalsContact O-N 3.16Å; T407-T411 HydrophobicContact CG2-CG2 4.34Å; T407-T411 VanDerWaalsContact O-CB 3.32Å; T407-T411 WeakPolarHBondContact O-CB 3.47Å; T407-T411 WeakPolarHBondContact O-CG2 3.44Å; T407-T411 PolarHBondContact O-N 3.15Å; T407-T411 PolarHBondContact O-OG1 3.28Å; T407-T411 VanDerWaalsContact O-OG1 3.05Å; T407-I431 HydrophobicContact CG2-CB 3.89Å; T407-I431 HydrophobicContact CG2-CD1 4.4Å; T407-I431 HydrophobicContact CG2-CG2 3.61Å; T407-V433 HydrophobicContact CG2-CG2 3.88Å |
| 408 | R | 44.4 | Very low | 57.7 | Low | 219 Ų | 219 | 81.9 Ų | 81.9 | 83% | 0.826 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -77.9 | -24.6 | -179.9 | -68.7 | -176 | -173.4 | 173.4 | 1.2 | 114.8 | D406 T411 | D406-R408 VanDerWaalsContact C-N 3.28Å; D406-R408 PolarHBondContact O-N 3.45Å; R408-T411 PolarHBondContact O-OG1 2.93Å; R408-T411 VanDerWaalsContact O-OG1 3.12Å |
| 409 | I | 47.5 | Very low | 59.4 | Low | 106 Ų | 106 | 79 Ų | 79 | 54% | 0.544 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -87.6 | -36.7 | 174.7 | -63.9 | -178.3 | 0 | 0 | 0 | 109.8 | D406 K412 | D406-I409 HydrophobicContact CB-CB 4.16Å; D406-I409 PolarHBondContact O-N 2.99Å; D406-I409 VanDerWaalsContact O-N 3.13Å; D406-I409 WeakPolarHBondContact OD1-CD1 3.43Å; D406-I409 WeakPolarHBondContact OD2-CD1 3.37Å; I409-K412 WeakPolarHBondContact O-CB 3.3Å; I409-K412 PolarHBondContact O-N 3.36Å |
| 410 | S | 55.9 | Low | 61.5 | Low | 11 Ų | 11 | 73.4 Ų | 73.4 | 8% | 0.077 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -74.6 | -28.1 | 177.8 | -165.3 | 0 | 0 | 0 | 0 | 112.9 | D406 K412 S413 K414 V433 | D406-S410 WeakPolarHBondContact O-CA 3.49Å; D406-S410 WeakPolarHBondContact O-CB 3.39Å; D406-S410 PolarHBondContact O-N 3.46Å; S410-K412 PolarHBondContact O-N 2.87Å; S410-S413 PolarHBondContact O-N 3.04Å; S410-S413 VanDerWaalsContact O-N 3.07Å; S410-S413 PolarHBondContact O-OG 3.19Å; S410-K414 PolarHBondContact O-N 3.36Å; S410-K414 WeakPolarHBondContact OG-CD 3.49Å; S410-V433 WeakPolarHBondContact OG-CG1 3.35Å |
| 411 | T | 66.1 | Low | 63.3 | Low | 21 Ų | 21 | 67.8 Ų | 67.8 | 13% | 0.129 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -15.2 | 169.7 | 53 | 0 | 0 | 0 | 0 | 112.7 | T407 R408 Y416 I431 V433 P528 | T407-T411 HydrophobicContact CG2-CG2 4.34Å; T407-T411 VanDerWaalsContact O-CB 3.32Å; T407-T411 WeakPolarHBondContact O-CB 3.47Å; T407-T411 WeakPolarHBondContact O-CG2 3.44Å; T407-T411 PolarHBondContact O-N 3.15Å; T407-T411 PolarHBondContact O-OG1 3.28Å; T407-T411 VanDerWaalsContact O-OG1 3.05Å; R408-T411 PolarHBondContact O-OG1 2.93Å; R408-T411 VanDerWaalsContact O-OG1 3.12Å; T411-Y416 HydrophobicContact CG2-CD1 3.78Å; T411-Y416 HydrophobicContact CG2-CD2 3.98Å; T411-Y416 HydrophobicContact CG2-CE1 3.86Å; T411-Y416 HydrophobicContact CG2-CE2 4.03Å; T411-Y416 HydrophobicContact CG2-CG 3.85Å; T411-Y416 VanDerWaalsContact O-CE1 3.29Å; T411-Y416 WeakPolarHBondContact O-CE1 3.29Å; T411-I431 HydrophobicContact CG2-CG2 3.97Å; T411-V433 HydrophobicContact CG2-CG2 4.3Å; T411-P528 WeakPolarHBondContact O-CG 3.4Å |
| 412 | K | 69.7 | Low | 64.9 | Low | 172 Ų | 172 | 70.2 Ų | 70.2 | 75% | 0.748 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -13.2 | 171.9 | -64.5 | -172.8 | 176 | -174.8 | 0 | 113.7 | I409 S410 | I409-K412 WeakPolarHBondContact O-CB 3.3Å; I409-K412 PolarHBondContact O-N 3.36Å; S410-K412 PolarHBondContact O-N 2.87Å |
| 413 | S | 81.3 | Confident | 66.5 | Low | 62 Ų | 62 | 61.5 Ų | 61.5 | 43% | 0.434 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.4 | -9.4 | -169.4 | 57.4 | 0 | 0 | 0 | 0 | 115.2 | S410 | S410-S413 PolarHBondContact O-N 3.04Å; S410-S413 VanDerWaalsContact O-N 3.07Å; S410-S413 PolarHBondContact O-OG 3.19Å |
| 414 | K | 88.4 | Confident | 68 | Low | 65 Ų | 65 | 56.3 Ų | 56.3 | 28% | 0.283 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -137.9 | 150.3 | -179.5 | -62.9 | -171.6 | -169.6 | 171.4 | 0 | 111.5 | S410 Y416 V433 S435 P528 | S410-K414 PolarHBondContact O-N 3.36Å; S410-K414 WeakPolarHBondContact OG-CD 3.49Å; K414-Y416 WeakPolarHBondContact O-CD1 3.46Å; K414-V433 HydrophobicContact CB-CG1 4.05Å; K414-V433 HydrophobicContact CD-CG1 4.38Å; K414-S435 PolarHBondContact NZ-OG 3.03Å; K414-P528 VanDerWaalsContact O-CD 3.31Å; K414-P528 WeakPolarHBondContact O-CD 3.45Å; K414-P528 WeakPolarHBondContact O-CG 2.89Å |
| 415 | P | 93 | Very high | 69.2 | Low | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | -60.4 | 145.5 | 173 | -19 | 30.8 | 0 | 0 | 0 | 112.2 | L434 V484 F525 H526 L529 | P415-L434 HydrophobicContact CB-CD1 4.32Å; P415-L434 WeakPolarHBondContact O-CB 3.36Å; P415-L434 PolarHBondContact O-N 2.73Å; P415-V484 HydrophobicContact CB-CG2 3.96Å; P415-V484 HydrophobicContact CG-CG2 3.81Å; P415-F525 HydrophobicContact CB-CE2 3.61Å; P415-F525 HydrophobicContact CB-CZ 3.78Å; P415-H526 CarbonylContact C-O 3.52Å; P415-H526 VanDerWaalsContact CA-O 3.22Å; P415-H526 WeakPolarHBondContact CA-O 3.41Å; P415-L529 HydrophobicContact CG-CD1 4.46Å | ||
| 416 | Y | 92.9 | Very high | 71 | Confident | 31 Ų | 31 | 53 Ų | 53 | 12% | 0.122 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 160.5 | -179.4 | 64.9 | -85.9 | 0 | 0 | 0 | 112.1 | T411 K414 I431 H432 H526 P528 | T411-Y416 HydrophobicContact CG2-CD1 3.78Å; T411-Y416 HydrophobicContact CG2-CD2 3.98Å; T411-Y416 HydrophobicContact CG2-CE1 3.86Å; T411-Y416 HydrophobicContact CG2-CE2 4.03Å; T411-Y416 HydrophobicContact CG2-CG 3.85Å; T411-Y416 VanDerWaalsContact O-CE1 3.29Å; T411-Y416 WeakPolarHBondContact O-CE1 3.29Å; K414-Y416 WeakPolarHBondContact O-CD1 3.46Å; Y416-I431 HydrophobicContact CD2-CG2 3.81Å; Y416-I431 HydrophobicContact CG-CG2 4.33Å; Y416-H432 CarbonylContact C-O 3.52Å; Y416-H432 WeakPolarHBondContact CA-O 3.07Å; Y416-H432 WeakPolarHBondContact CB-O 3.48Å; Y416-H526 HydrophobicContact CD1-CB 3.73Å; Y416-H526 HydrophobicContact CD2-CB 3.86Å; Y416-H526 AromaticContact CD2-CD2 3.82Å; Y416-H526 HydrophobicContact CE1-CB 3.33Å; Y416-H526 HydrophobicContact CE2-CB 3.49Å; Y416-H526 VanDerWaalsContact CE2-CB 3.49Å; Y416-H526 AromaticContact CE2-CD2 3.31Å; Y416-H526 WeakPolarHBondContact CE2-CD2 3.44Å; Y416-H526 AromaticContact CE2-CG 3.44Å; Y416-H526 VanDerWaalsContact CE2-CG 3.44Å; Y416-H526 HydrophobicContact CG-CB 3.98Å; Y416-H526 AromaticContact CZ-CD2 3.84Å; Y416-H526 AromaticContact CZ-CG 3.44Å; Y416-H526 VanDerWaalsContact CZ-CG 3.44Å; Y416-H526 PolarHBondContact N-O 2.95Å; Y416-H526 PolarHBondContact O-N 3.48Å; Y416-P528 HydrophobicContact CD1-CG 4.17Å; Y416-P528 HydrophobicContact CE1-CG 3.88Å |
| 417 | L | 94 | Very high | 73.1 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 137.4 | 170.9 | -59.1 | 175.7 | 0 | 0 | 0 | 109.6 | I431 H432 I441 L474 I515 F517 Y523 I524 F525 | L417-I431 CarbonylContact O-C 3.55Å; L417-I431 VanDerWaalsContact O-CA 3.29Å; L417-I431 WeakPolarHBondContact O-CA 3.4Å; L417-H432 HydrophobicContact CB-CB 4.25Å; L417-H432 PolarHBondContact N-O 2.69Å; L417-H432 PolarHBondContact O-N 3.49Å; L417-I441 HydrophobicContact CD1-CD1 4.02Å; L417-L474 HydrophobicContact CD1-CD1 3.79Å; L417-I515 HydrophobicContact CD2-CD1 3.77Å; L417-F517 HydrophobicContact CD1-CE2 4.34Å; L417-Y523 HydrophobicContact CB-CD1 3.78Å; L417-Y523 HydrophobicContact CB-CG 4.25Å; L417-I524 WeakPolarHBondContact CA-O 3.49Å; L417-F525 HydrophobicContact CD2-CB 3.87Å; L417-F525 HydrophobicContact CD2-CD2 3.77Å; L417-F525 HydrophobicContact CD2-CG 4.29Å |
| 418 | S | 91 | Very high | 74.8 | Confident | 11 Ų | 11 | 49 Ų | 49 | 8% | 0.077 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 132.8 | 168.6 | 66.1 | 0 | 0 | 0 | 0 | 109.7 | I430 Y523 I524 H526 | S418-I430 WeakPolarHBondContact CA-O 3.48Å; S418-Y523 CarbonylContact O-C 3.53Å; S418-Y523 VanDerWaalsContact O-CA 3.28Å; S418-Y523 WeakPolarHBondContact O-CA 3.29Å; S418-I524 PolarHBondContact N-O 2.85Å; S418-I524 PolarHBondContact O-N 3Å; S418-H526 PolarHBondContact OG-CD2 3.18Å; S418-H526 PolarHBondContact OG-NE2 2.87Å |
| 419 | N | 90 | Very high | 76.2 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 153.2 | 179.2 | 73.6 | -56.5 | 0 | 0 | 0 | 112 | L426 G428 I429 I430 L522 Y523 | N419-L426 PolarHBondContact ND2-O 3.37Å; N419-G428 PolarHBondContact O-N 3.35Å; N419-G428 PolarHBondContact OD1-N 3.25Å; N419-I429 PolarHBondContact OD1-N 2.96Å; N419-I429 VanDerWaalsContact OD1-N 3.1Å; N419-I430 HydrophobicContact CB-CB 3.95Å; N419-I430 HydrophobicContact CB-CD1 4.36Å; N419-I430 HydrophobicContact CB-CG1 4.47Å; N419-I430 PolarHBondContact N-O 3.5Å; N419-I430 WeakPolarHBondContact OD1-CA 3.46Å; N419-I430 WeakPolarHBondContact OD1-CB 3.1Å; N419-I430 PolarHBondContact OD1-N 3.11Å; N419-I430 PolarHBondContact OD1-O 3.1Å; N419-L522 WeakPolarHBondContact CA-O 3.29Å; N419-Y523 HydrophobicContact CB-CD1 4.04Å; N419-Y523 HydrophobicContact CB-CE1 3.73Å |
| 420 | L | 87.1 | Confident | 77.7 | Confident | 5 Ų | 5 | 39.1 Ų | 39.1 | 3% | 0.026 | 21% | 0.213 | C | C | . | . | trans | -118.4 | 133.5 | 169.3 | -165 | 62 | 0 | 0 | 0 | 108.5 | M188 L522 I524 I546 D547 W548 A551 | M188-L420 WeakPolarHBondContact CE-O 3.23Å; L420-L522 HydrophobicContact CB-CB 4.45Å; L420-L522 HydrophobicContact CB-CD2 4.06Å; L420-L522 HydrophobicContact CB-CG 4.07Å; L420-L522 HydrophobicContact CD2-CD2 3.67Å; L420-L522 HydrophobicContact CD2-CG 4.28Å; L420-L522 HydrophobicContact CG-CD2 4.25Å; L420-L522 PolarHBondContact N-O 3.39Å; L420-I524 HydrophobicContact CD1-CD1 4.04Å; L420-I524 HydrophobicContact CD2-CD1 4.42Å; L420-I524 HydrophobicContact CD2-CG1 4.5Å; L420-I546 HydrophobicContact CD2-CG2 4.42Å; L420-D547 WeakPolarHBondContact CD2-O 3.4Å; L420-W548 HydrophobicContact CG-CE3 4.49Å; L420-A551 HydrophobicContact CD2-CB 3.73Å | ||
| 421 | N | 79.3 | Confident | 79.1 | Confident | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | trans | -133.4 | 151.7 | -175.1 | -164.7 | -85.1 | 0 | 0 | 0 | 110.5 | M188 N189 D423 L426 S427 W548 | M188-N421 PolarHBondContact O-ND2 3.11Å; N189-N421 PolarHBondContact OD1-ND2 3.47Å; N421-D423 PolarHBondContact O-N 3.43Å; N421-D423 PolarHBondContact OD1-N 3.29Å; N421-L426 HydrophobicContact CB-CB 3.82Å; N421-S427 PolarHBondContact N-OG 3.48Å; N421-S427 PolarHBondContact O-OG 3.42Å; N421-W548 WeakPolarHBondContact O-CB 3.34Å | ||
| 422 | E | 71.3 | Confident | 80.2 | Confident | 101 Ų | 101 | 42.5 Ų | 42.5 | 47% | 0.472 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -57.9 | -37.5 | 174.4 | -175.2 | 173.8 | -174.2 | 0 | 0 | 112.2 | P424 W548 | E422-P424 WeakPolarHBondContact O-CD 3.21Å; E422-W548 HydrophobicContact CB-CD2 4.09Å; E422-W548 HydrophobicContact CB-CG 4.16Å; E422-W548 HydrophobicContact CB-CZ2 4.36Å |
| 423 | D | 63.4 | Low | 81.1 | Confident | 29 Ų | 29 | 35.7 Ų | 35.7 | 16% | 0.155 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -80.8 | 116.6 | 169.1 | -171.3 | -16.5 | 0 | 0 | 0 | 109.9 | S192 N421 Q425 L426 S427 | S192-D423 PolarHBondContact OG-OD2 3.01Å; S192-D423 VanDerWaalsContact OG-OD2 3.11Å; N421-D423 PolarHBondContact O-N 3.43Å; N421-D423 PolarHBondContact OD1-N 3.29Å; D423-Q425 PolarHBondContact O-N 2.9Å; D423-Q425 VanDerWaalsContact O-N 3.12Å; D423-Q425 WeakPolarHBondContact OD1-CB 2.92Å; D423-Q425 PolarHBondContact OD1-N 2.88Å; D423-L426 HydrophobicContact CB-CB 4.26Å; D423-L426 HydrophobicContact CB-CD1 4.1Å; D423-L426 HydrophobicContact CB-CG 3.92Å; D423-L426 PolarHBondContact O-N 3.16Å; D423-S427 PolarHBondContact O-N 3.25Å |
| 424 | P | 67.6 | Low | 81.6 | Confident | 86 Ų | 86 | 32.8 Ų | 32.8 | 56% | 0.558 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -27.6 | 177.5 | -25.2 | 35.9 | 0 | 0 | 0 | 113.5 | Y88 E422 L426 S427 | Y88-P424 HydrophobicContact CE1-CB 4.49Å; E422-P424 WeakPolarHBondContact O-CD 3.21Å; P424-L426 VanDerWaalsContact C-N 3.25Å; P424-L426 PolarHBondContact O-N 3.43Å; P424-S427 PolarHBondContact O-N 3.47Å |
| 425 | Q | 60.2 | Low | 81.4 | Confident | 31 Ų | 31 | 31.9 Ų | 31.9 | 15% | 0.145 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -23.7 | 176.1 | -102.1 | 160.6 | 22 | 0 | 0 | 113.4 | G87 Y88 D423 I429 | G87-Q425 PolarHBondContact O-NE2 3.16Å; Y88-Q425 HydrophobicContact CD1-CG 3.87Å; Y88-Q425 HydrophobicContact CE1-CB 4.24Å; Y88-Q425 HydrophobicContact CE1-CG 3.53Å; Y88-Q425 VanDerWaalsContact CE1-NE2 3.34Å; D423-Q425 PolarHBondContact O-N 2.9Å; D423-Q425 VanDerWaalsContact O-N 3.12Å; D423-Q425 WeakPolarHBondContact OD1-CB 2.92Å; D423-Q425 PolarHBondContact OD1-N 2.88Å; Q425-I429 WeakPolarHBondContact O-CG1 3.16Å |
| 426 | L | 69 | Low | 81.1 | Confident | 8 Ų | 8 | 35.5 Ų | 35.5 | 4% | 0.042 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -10.9 | -178.4 | -57.7 | -171.5 | 0 | 0 | 0 | 112.3 | T178 T182 N419 N421 D423 P424 | T178-L426 HydrophobicContact CG2-CD2 3.97Å; T182-L426 WeakPolarHBondContact OG1-CD2 3.45Å; N419-L426 PolarHBondContact ND2-O 3.37Å; N421-L426 HydrophobicContact CB-CB 3.82Å; D423-L426 HydrophobicContact CB-CB 4.26Å; D423-L426 HydrophobicContact CB-CD1 4.1Å; D423-L426 HydrophobicContact CB-CG 3.92Å; D423-L426 PolarHBondContact O-N 3.16Å; P424-L426 VanDerWaalsContact C-N 3.25Å; P424-L426 PolarHBondContact O-N 3.43Å |
| 427 | S | 79.5 | Confident | 80.9 | Confident | 32 Ų | 32 | 42.3 Ų | 42.3 | 22% | 0.224 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | 139.5 | 174.6 | -70.2 | 0 | 0 | 0 | 0 | 111.5 | N421 D423 P424 I429 | N421-S427 PolarHBondContact N-OG 3.48Å; N421-S427 PolarHBondContact O-OG 3.42Å; D423-S427 PolarHBondContact O-N 3.25Å; P424-S427 PolarHBondContact O-N 3.47Å; S427-I429 PolarHBondContact O-N 3.43Å |
| 428 | G | 78.9 | Confident | 80.8 | Confident | 34 Ų | 34 | 44.7 Ų | 44.7 | 35% | 0.351 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 0.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | N419 | N419-G428 PolarHBondContact O-N 3.35Å; N419-G428 PolarHBondContact OD1-N 3.25Å |
| 429 | I | 73.8 | Confident | 81 | Confident | 78 Ų | 78 | 44.2 Ų | 44.2 | 40% | 0.4 | 24% | 0.236 | S | C | . | . | trans | -74.5 | -39.1 | -179.4 | -59 | -57.5 | 0 | 0 | 0 | 111.6 | A179 N419 Q425 S427 | A179-I429 HydrophobicContact CB-CG2 4.14Å; N419-I429 PolarHBondContact OD1-N 2.96Å; N419-I429 VanDerWaalsContact OD1-N 3.1Å; Q425-I429 WeakPolarHBondContact O-CG1 3.16Å; S427-I429 PolarHBondContact O-N 3.43Å | ||
| 430 | I | 80.1 | Confident | 81.1 | Confident | 39 Ų | 39 | 44.2 Ų | 44.2 | 20% | 0.2 | 24% | 0.236 | C | C | . | . | trans | -91.4 | 115.5 | 178.8 | -53.6 | 173.2 | 0 | 0 | 0 | 108.4 | T182 S418 N419 H432 Y523 | T182-I430 HydrophobicContact CG2-CD1 4.02Å; T182-I430 HydrophobicContact CG2-CG1 4.41Å; S418-I430 WeakPolarHBondContact CA-O 3.48Å; N419-I430 HydrophobicContact CB-CB 3.95Å; N419-I430 HydrophobicContact CB-CD1 4.36Å; N419-I430 HydrophobicContact CB-CG1 4.47Å; N419-I430 PolarHBondContact N-O 3.5Å; N419-I430 WeakPolarHBondContact OD1-CA 3.46Å; N419-I430 WeakPolarHBondContact OD1-CB 3.1Å; N419-I430 PolarHBondContact OD1-N 3.11Å; N419-I430 PolarHBondContact OD1-O 3.1Å; I430-H432 VanDerWaalsContact CG2-NE2 3.32Å; I430-H432 WeakPolarHBondContact CG2-NE2 3.33Å; I430-Y523 HydrophobicContact CG2-CE1 4.27Å | ||
| 431 | I | 85 | Confident | 81.4 | Confident | 64 Ų | 64 | 44 Ų | 44 | 33% | 0.328 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 122 | 179.1 | -58.4 | 177.2 | 0 | 0 | 0 | 110.2 | T407 T411 Y416 L417 V433 | T407-I431 HydrophobicContact CG2-CB 3.89Å; T407-I431 HydrophobicContact CG2-CD1 4.4Å; T407-I431 HydrophobicContact CG2-CG2 3.61Å; T411-I431 HydrophobicContact CG2-CG2 3.97Å; Y416-I431 HydrophobicContact CD2-CG2 3.81Å; Y416-I431 HydrophobicContact CG-CG2 4.33Å; L417-I431 CarbonylContact O-C 3.55Å; L417-I431 VanDerWaalsContact O-CA 3.29Å; L417-I431 WeakPolarHBondContact O-CA 3.4Å; I431-V433 HydrophobicContact CG2-CG2 4.15Å |
| 432 | H | 88.8 | Confident | 81.9 | Confident | 39 Ų | 39 | 43.8 Ų | 43.8 | 18% | 0.181 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 101.4 | 174 | -60.1 | -61.5 | 0 | 0 | 0 | 110.9 | Y416 L417 I430 I460 Y523 | Y416-H432 CarbonylContact C-O 3.52Å; Y416-H432 WeakPolarHBondContact CA-O 3.07Å; Y416-H432 WeakPolarHBondContact CB-O 3.48Å; L417-H432 HydrophobicContact CB-CB 4.25Å; L417-H432 PolarHBondContact N-O 2.69Å; L417-H432 PolarHBondContact O-N 3.49Å; I430-H432 VanDerWaalsContact CG2-NE2 3.32Å; I430-H432 WeakPolarHBondContact CG2-NE2 3.33Å; H432-I460 HydrophobicContact CB-CD1 3.73Å; H432-Y523 AromaticContact CD2-CE1 3.44Å; H432-Y523 VanDerWaalsContact CD2-CE1 3.44Å; H432-Y523 WeakPolarHBondContact CD2-CE1 2.98Å; H432-Y523 AromaticContact CD2-CZ 3.88Å; H432-Y523 AromaticContact NE2-CE1 3.75Å; H432-Y523 AromaticContact NE2-CZ 3.82Å; H432-Y523 PolarHBondContact NE2-OH 3.1Å |
| 433 | V | 89.6 | Confident | 82.5 | Confident | 29 Ų | 29 | 42.3 Ų | 42.3 | 18% | 0.176 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 125.4 | 176.8 | -178 | 0 | 0 | 0 | 0 | 110.5 | T407 S410 T411 K414 I431 S435 | T407-V433 HydrophobicContact CG2-CG2 3.88Å; S410-V433 WeakPolarHBondContact OG-CG1 3.35Å; T411-V433 HydrophobicContact CG2-CG2 4.3Å; K414-V433 HydrophobicContact CB-CG1 4.05Å; K414-V433 HydrophobicContact CD-CG1 4.38Å; I431-V433 HydrophobicContact CG2-CG2 4.15Å; V433-S435 PolarHBondContact O-N 3.32Å |
| 434 | L | 90.7 | Very high | 83.5 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | trans | -81 | 69.1 | -178.1 | -53.1 | -175 | 0 | 0 | 0 | 111.1 | P415 T439 L474 R476 V484 F525 | P415-L434 HydrophobicContact CB-CD1 4.32Å; P415-L434 WeakPolarHBondContact O-CB 3.36Å; P415-L434 PolarHBondContact O-N 2.73Å; L434-T439 HydrophobicContact CD2-CG2 4.1Å; L434-L474 HydrophobicContact CD1-CB 4.29Å; L434-L474 HydrophobicContact CD1-CD1 4.32Å; L434-L474 HydrophobicContact CD1-CD2 4.27Å; L434-L474 HydrophobicContact CD2-CD1 3.86Å; L434-R476 WeakPolarHBondContact O-CD 2.93Å; L434-R476 PolarHBondContact O-NH1 3.35Å; L434-V484 HydrophobicContact CD1-CG1 3.93Å; L434-F525 HydrophobicContact CD1-CE2 3.93Å | ||
| 435 | S | 85.1 | Confident | 84.2 | Confident | 46 Ų | 46 | 44.7 Ų | 44.7 | 32% | 0.322 | 23% | 0.232 | S | C | . | . | trans | -75 | -23.1 | -177.5 | -78.2 | 0 | 0 | 0 | 0 | 114.1 | K414 V433 | K414-S435 PolarHBondContact NZ-OG 3.03Å; V433-S435 PolarHBondContact O-N 3.32Å | ||
| 436 | H | 86.1 | Confident | 85.3 | Confident | 76 Ų | 76 | 45 Ų | 45 | 35% | 0.352 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -95.4 | 157.2 | -176 | -59 | 88.8 | 0 | 0 | 0 | 111.6 | Q438 F458 R476 | H436-Q438 WeakPolarHBondContact CB-O 3.35Å; H436-Q438 PolarHBondContact O-N 3.23Å; H436-F458 HydrophobicContact CB-CB 3.94Å; H436-F458 AromaticContact CE1-CD1 3.87Å; H436-F458 AromaticContact CE1-CD2 3.3Å; H436-F458 WeakPolarHBondContact CE1-CD2 3.24Å; H436-F458 AromaticContact CE1-CE2 3.9Å; H436-F458 AromaticContact CE1-CG 3.29Å; H436-F458 WeakPolarHBondContact CE1-CG 3.26Å; H436-F458 AromaticContact CG-CG 3.97Å; H436-F458 VanDerWaalsContact ND1-CB 3.25Å; H436-F458 WeakPolarHBondContact ND1-CB 3.45Å; H436-F458 AromaticContact ND1-CD1 3.66Å; H436-F458 AromaticContact ND1-CD2 3.83Å; H436-F458 AromaticContact ND1-CG 3.29Å; H436-F458 VanDerWaalsContact ND1-CG 3.29Å; H436-F458 WeakPolarHBondContact ND1-CG 3.11Å; H436-F458 AromaticContact NE2-CD2 3.77Å; H436-F458 AromaticContact NE2-CG 3.95Å; H436-R476 WeakPolarHBondContact O-CD 3.32Å |
| 437 | K | 89 | Confident | 85.7 | Confident | 175 Ų | 175 | 47.2 Ų | 47.2 | 76% | 0.761 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -61.1 | -36.1 | 173.2 | -73.2 | -171.1 | 177.2 | -176.9 | 0 | 111.9 | R476 | K437-R476 PolarHBondContact O-N 2.98Š|
| 438 | Q | 91.7 | Very high | 85.1 | Confident | 50 Ų | 50 | 54.2 Ų | 54.2 | 23% | 0.234 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 126.7 | 175.2 | -68.5 | -176.5 | -18.9 | 0 | 0 | 109 | H436 V457 F458 L474 I475 | H436-Q438 WeakPolarHBondContact CB-O 3.35Å; H436-Q438 PolarHBondContact O-N 3.23Å; Q438-V457 HydrophobicContact CB-CG1 4.48Å; Q438-V457 HydrophobicContact CB-CG2 4.08Å; Q438-F458 PolarHBondContact O-N 3.18Å; Q438-L474 WeakPolarHBondContact CA-O 3.32Å; Q438-I475 HydrophobicContact CG-CG1 4.27Å; Q438-I475 HydrophobicContact CG-CG2 4.24Å |
| 439 | T | 94.1 | Very high | 84 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 116.6 | 176.1 | -57.2 | 0 | 0 | 0 | 0 | 108.2 | L434 F458 I460 L474 | L434-T439 HydrophobicContact CD2-CG2 4.1Å; T439-F458 CarbonylContact C-O 3.6Å; T439-F458 WeakPolarHBondContact CA-O 3.14Å; T439-F458 HydrophobicContact CG2-CD1 4.26Å; T439-I460 HydrophobicContact CG2-CD1 3.46Å; T439-I460 VanDerWaalsContact CG2-CD1 3.46Å; T439-I460 HydrophobicContact CG2-CG1 3.88Å; T439-L474 PolarHBondContact N-O 2.79Å; T439-L474 PolarHBondContact O-N 3.17Å |
| 440 | G | 93 | Very high | 83 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 147.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | F458 W459 I460 A472 | G440-F458 PolarHBondContact N-O 3.28Å; G440-W459 CarbonylContact O-C 3.59Å; G440-W459 WeakPolarHBondContact O-CA 3.4Å; G440-I460 PolarHBondContact O-N 2.75Å; G440-A472 CarbonylContact C-O 3.59Å; G440-A472 WeakPolarHBondContact CA-O 3.44Å |
| 441 | I | 92.7 | Very high | 81.7 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 136.2 | 174.5 | -65.6 | 175.1 | 0 | 0 | 0 | 107.5 | L417 I460 M462 H471 A472 L474 F517 | L417-I441 HydrophobicContact CD1-CD1 4.02Å; I441-I460 WeakPolarHBondContact CA-O 3.44Å; I441-I460 HydrophobicContact CG1-CB 4.35Å; I441-M462 HydrophobicContact CD1-CE 4.08Å; I441-M462 HydrophobicContact CG1-CE 4.29Å; I441-M462 HydrophobicContact CG2-CE 3.96Å; I441-M462 HydrophobicContact CG2-CG 4.12Å; I441-M462 HydrophobicContact CG2-SD 3.53Å; I441-M462 VanDerWaalsContact CG2-SD 3.53Å; I441-H471 WeakPolarHBondContact O-CA 3.31Å; I441-H471 VanDerWaalsContact O-CB 3.24Å; I441-H471 WeakPolarHBondContact O-CB 3.34Å; I441-H471 PolarHBondContact O-N 3.01Å; I441-A472 PolarHBondContact N-O 3.12Å; I441-A472 PolarHBondContact O-N 3.41Å; I441-L474 HydrophobicContact CD1-CD1 3.52Å; I441-L474 HydrophobicContact CG1-CD1 4.3Å; I441-F517 HydrophobicContact CD1-CD2 4.23Å; I441-F517 HydrophobicContact CD1-CE1 4.24Å; I441-F517 HydrophobicContact CD1-CE2 3.46Å; I441-F517 VanDerWaalsContact CD1-CE2 3.46Å; I441-F517 HydrophobicContact CD1-CZ 3.45Å; I441-F517 VanDerWaalsContact CD1-CZ 3.45Å; I441-F517 HydrophobicContact CG2-CD2 4.38Å; I441-F517 HydrophobicContact CG2-CG 4.4Å |
| 442 | G | 90 | Very high | 80.1 | Confident | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.9 | -175.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | I460 Q461 M462 V468 D469 | G442-I460 PolarHBondContact N-O 3.2Å; G442-Q461 CarbonylContact O-C 3.54Å; G442-Q461 VanDerWaalsContact O-CA 3.28Å; G442-Q461 WeakPolarHBondContact O-CA 3.44Å; G442-M462 PolarHBondContact O-N 3.4Å; G442-V468 CarbonylContact C-O 3.6Å; G442-V468 VanDerWaalsContact CA-O 3.27Å; G442-V468 WeakPolarHBondContact CA-O 3.32Å; G442-D469 CarbonylContact C-O 3.5Å; G442-D469 VanDerWaalsContact C-O 3.28Å; G442-D469 WeakPolarHBondContact CA-O 3.44Å |
| 443 | R | 85 | Confident | 78.4 | Confident | 69 Ų | 69 | 74 Ų | 74 | 26% | 0.26 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -69.1 | -45.3 | -175.2 | -174.1 | -169.3 | -64.7 | -159.2 | -10.3 | 111.7 | M462 M467 V468 D469 E596 | R443-M462 VanDerWaalsContact CA-O 3.28Å; R443-M462 WeakPolarHBondContact CA-O 3.19Å; R443-M467 HydrophobicContact CB-CG 4.2Å; R443-M467 VanDerWaalsContact CZ-O 3.24Å; R443-M467 PolarHBondContact NE-O 3.18Å; R443-M467 PolarHBondContact NH2-O 2.92Å; R443-V468 PolarHBondContact N-O 3.39Å; R443-D469 WeakPolarHBondContact CD-OD1 3.36Å; R443-D469 PolarHBondContact N-O 2.63Å; R443-E596 IonicContact CZ-OE1 2.79Å; R443-E596 IonicContact NH1-OE1 3.58Å; R443-E596 PolarHBondContact NH1-OE1 2.76Å; R443-E596 VanDerWaalsContact NH1-OE1 3.16Å; R443-E596 IonicContact NH2-OE1 3.38Å; R443-E596 PolarHBondContact NH2-OE1 2.84Å; R443-E596 IonicContact NH2-OE2 3.76Å |
| 444 | E | 82.9 | Confident | 76.7 | Confident | 110 Ų | 110 | 82.3 Ų | 82.3 | 51% | 0.514 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -142.9 | 136.4 | 179.3 | -68.6 | -167.7 | 175.5 | 0 | 0 | 110.6 | D469 | E444-D469 HydrophobicContact CB-CB 4.47Å; E444-D469 PolarHBondContact N-O 3.37Å; E444-D469 CarbonylContact O-C 3.48Å; E444-D469 VanDerWaalsContact O-C 3.22Å |
| 445 | P | 83.3 | Confident | 75.2 | Confident | 55 Ų | 55 | 85.6 Ų | 85.6 | 36% | 0.357 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -63 | 152.1 | 172.8 | 29.7 | -34.8 | 0 | 0 | 0 | 110.3 | W459 | P445-W459 HydrophobicContact CB-CB 3.88Å; P445-W459 HydrophobicContact CB-CD2 4.23Å; P445-W459 HydrophobicContact CB-CG 3.71Å |
| 446 | P | 83.1 | Confident | 74.9 | Confident | 37 Ų | 37 | 93 Ų | 93 | 24% | 0.24 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -60 | 141.8 | 175.7 | 22.9 | -30.2 | 0 | 0 | 0 | 110.8 | W459 E470 | P446-W459 HydrophobicContact CG-CZ2 3.7Å; P446-E470 HydrophobicContact CB-CG 4.48Å |
| 447 | S | 77.6 | Confident | 74.9 | Confident | 56 Ų | 56 | 91 Ų | 91 | 39% | 0.392 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -52.1 | 140.9 | 175.7 | 61.3 | 0 | 0 | 0 | 0 | 111.7 | S449 Q450 | S447-S449 PolarHBondContact O-N 3.31Å; S447-S449 PolarHBondContact OG-OG 3.19Å; S447-Q450 PolarHBondContact O-N 3.43Å |
| 448 | E | 66.8 | Low | 74.8 | Confident | 178 Ų | 178 | 87.1 Ų | 87.1 | 83% | 0.832 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -52 | -32.6 | -176.7 | -69.1 | -176.8 | 164.4 | 0 | 0 | 112.8 | Q450 S451 | E448-Q450 PolarHBondContact O-N 2.94Å; E448-S451 PolarHBondContact O-N 3.4Å; E448-S451 PolarHBondContact O-OG 3.12Å |
| 449 | S | 55.7 | Low | 74.6 | Confident | 112 Ų | 112 | 87.3 Ų | 87.3 | 78% | 0.783 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -61.1 | -17.5 | 175.6 | 36.9 | 0 | 0 | 0 | 0 | 116 | S447 | S447-S449 PolarHBondContact O-N 3.31Å; S447-S449 PolarHBondContact OG-OG 3.19Å |
| 450 | Q | 53.3 | Low | 74.4 | Confident | 141 Ų | 141 | 88.1 Ų | 88.1 | 66% | 0.659 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -108.2 | -1.9 | 179.9 | -64.6 | -177.6 | 15.8 | 0 | 0 | 113.1 | S447 E448 N452 | S447-Q450 PolarHBondContact O-N 3.43Å; E448-Q450 PolarHBondContact O-N 2.94Å; Q450-N452 PolarHBondContact O-N 3.16Å |
| 451 | S | 51.5 | Low | 74 | Confident | 75 Ų | 75 | 94 Ų | 94 | 52% | 0.524 | 48% | 0.476 | S | S | . | . | trans | -77.5 | 109.7 | -177.7 | 71 | 0 | 0 | 0 | 0 | 111.1 | E448 E453 | E448-S451 PolarHBondContact O-N 3.4Å; E448-S451 PolarHBondContact O-OG 3.12Å; S451-E453 PolarHBondContact O-N 2.95Å; S451-E453 VanDerWaalsContact O-N 3.16Å | ||
| 452 | N | 52.4 | Low | 73.6 | Confident | 144 Ų | 144 | 94.4 Ų | 94.4 | 77% | 0.77 | 48% | 0.478 | S | S | * | . | trans | -63.2 | 115.2 | 167.2 | -87 | -34.9 | 0 | 0 | 0 | 108.6 | Q450 K454 S455 | Q450-N452 PolarHBondContact O-N 3.16Å; N452-K454 PolarHBondContact O-N 2.82Å; N452-S455 PolarHBondContact O-N 2.9Å | ||
| 453 | E | 53 | Low | 72.8 | Confident | 199 Ų | 199 | 100.4 Ų | 100.4 | 93% | 0.93 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | -16.3 | -178.7 | -81.1 | -176.8 | 145.7 | 0 | 0 | 115.1 | S451 S455 | S451-E453 PolarHBondContact O-N 2.95Å; S451-E453 VanDerWaalsContact O-N 3.16Å; E453-S455 PolarHBondContact O-N 2.68Å |
| 454 | K | 52.8 | Low | 72.2 | Confident | 203 Ų | 203 | 97.7 Ų | 97.7 | 88% | 0.883 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -9.6 | -173.7 | -72.6 | -176.6 | 177.2 | 176.4 | 0 | 115.4 | N452 | N452-K454 PolarHBondContact O-N 2.82Š|
| 455 | S | 59.8 | Low | 71.8 | Confident | 70 Ų | 70 | 92.6 Ų | 92.6 | 49% | 0.49 | 47% | 0.474 | S | S | . | . | trans | -144.6 | 98.8 | -179.1 | -58.2 | 0 | 0 | 0 | 0 | 111.7 | N452 E453 V457 | N452-S455 PolarHBondContact O-N 2.9Å; E453-S455 PolarHBondContact O-N 2.68Å; S455-V457 PolarHBondContact O-N 3.08Å | ||
| 456 | K | 79.3 | Confident | 71.5 | Confident | 202 Ų | 202 | 91.6 Ų | 91.6 | 88% | 0.878 | 47% | 0.468 | S | S | * | . | trans | -74.2 | 93.8 | 178.1 | -162.6 | 174.2 | -173 | 174 | 0 | 110.1 | ||||
| 457 | V | 85.7 | Confident | 71.6 | Confident | 34 Ų | 34 | 89.9 Ų | 89.9 | 21% | 0.206 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -79.6 | 131.6 | 172.2 | -177.6 | 0 | 0 | 0 | 0 | 109.1 | Q438 S455 W459 L473 | Q438-V457 HydrophobicContact CB-CG1 4.48Å; Q438-V457 HydrophobicContact CB-CG2 4.08Å; S455-V457 PolarHBondContact O-N 3.08Å; V457-W459 HydrophobicContact CG1-CD2 4.21Å; V457-W459 HydrophobicContact CG1-CG 4.47Å; V457-W459 HydrophobicContact CG1-CZ2 4.06Å; V457-L473 HydrophobicContact CG1-CD2 4.01Å |
| 458 | F | 87.9 | Confident | 71.9 | Confident | 92 Ų | 92 | 89.1 Ų | 89.1 | 40% | 0.404 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 121.8 | 170.4 | 177.8 | -96.1 | 0 | 0 | 0 | 109.9 | H436 Q438 T439 G440 I460 | H436-F458 HydrophobicContact CB-CB 3.94Å; H436-F458 AromaticContact CE1-CD1 3.87Å; H436-F458 AromaticContact CE1-CD2 3.3Å; H436-F458 WeakPolarHBondContact CE1-CD2 3.24Å; H436-F458 AromaticContact CE1-CE2 3.9Å; H436-F458 AromaticContact CE1-CG 3.29Å; H436-F458 WeakPolarHBondContact CE1-CG 3.26Å; H436-F458 AromaticContact CG-CG 3.97Å; H436-F458 VanDerWaalsContact ND1-CB 3.25Å; H436-F458 WeakPolarHBondContact ND1-CB 3.45Å; H436-F458 AromaticContact ND1-CD1 3.66Å; H436-F458 AromaticContact ND1-CD2 3.83Å; H436-F458 AromaticContact ND1-CG 3.29Å; H436-F458 VanDerWaalsContact ND1-CG 3.29Å; H436-F458 WeakPolarHBondContact ND1-CG 3.11Å; H436-F458 AromaticContact NE2-CD2 3.77Å; H436-F458 AromaticContact NE2-CG 3.95Å; Q438-F458 PolarHBondContact O-N 3.18Å; T439-F458 CarbonylContact C-O 3.6Å; T439-F458 WeakPolarHBondContact CA-O 3.14Å; T439-F458 HydrophobicContact CG2-CD1 4.26Å; G440-F458 PolarHBondContact N-O 3.28Å; F458-I460 HydrophobicContact CD1-CG1 4.25Å; F458-I460 HydrophobicContact CE1-CG1 3.96Å |
| 459 | W | 87.9 | Confident | 73 | Confident | 54 Ų | 54 | 84.4 Ų | 84.4 | 21% | 0.205 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 128.1 | -174.9 | -69.8 | 94.6 | 0 | 0 | 0 | 112.3 | G440 P445 P446 V457 E470 L473 | G440-W459 CarbonylContact O-C 3.59Å; G440-W459 WeakPolarHBondContact O-CA 3.4Å; P445-W459 HydrophobicContact CB-CB 3.88Å; P445-W459 HydrophobicContact CB-CD2 4.23Å; P445-W459 HydrophobicContact CB-CG 3.71Å; P446-W459 HydrophobicContact CG-CZ2 3.7Å; V457-W459 HydrophobicContact CG1-CD2 4.21Å; V457-W459 HydrophobicContact CG1-CG 4.47Å; V457-W459 HydrophobicContact CG1-CZ2 4.06Å; W459-E470 HydrophobicContact CH2-CB 3.91Å; W459-E470 HydrophobicContact CH2-CG 3.77Å; W459-E470 HydrophobicContact CZ2-CG 4.43Å; W459-E470 HydrophobicContact CZ3-CB 4.22Å; W459-E470 HydrophobicContact CZ3-CG 4.22Å; W459-L473 HydrophobicContact CH2-CD2 4.1Å; W459-L473 HydrophobicContact CZ2-CD2 4.41Å |
| 460 | I | 88.7 | Confident | 74.6 | Confident | 18 Ų | 18 | 82.5 Ų | 82.5 | 9% | 0.092 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 111.1 | 167.8 | -59.7 | 169.9 | 0 | 0 | 0 | 106.8 | H432 T439 G440 I441 G442 F458 M462 | H432-I460 HydrophobicContact CB-CD1 3.73Å; T439-I460 HydrophobicContact CG2-CD1 3.46Å; T439-I460 VanDerWaalsContact CG2-CD1 3.46Å; T439-I460 HydrophobicContact CG2-CG1 3.88Å; G440-I460 PolarHBondContact O-N 2.75Å; I441-I460 WeakPolarHBondContact CA-O 3.44Å; I441-I460 HydrophobicContact CG1-CB 4.35Å; G442-I460 PolarHBondContact N-O 3.2Å; F458-I460 HydrophobicContact CD1-CG1 4.25Å; F458-I460 HydrophobicContact CE1-CG1 3.96Å; I460-M462 HydrophobicContact CG2-CE 3.71Å; I460-M462 HydrophobicContact CG2-CG 4.18Å |
| 461 | Q | 84.4 | Confident | 76.4 | Confident | 123 Ų | 123 | 75.8 Ų | 75.8 | 58% | 0.575 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 124.5 | 174.5 | -75.4 | 179.3 | -44.5 | 0 | 0 | 110.3 | G442 | G442-Q461 CarbonylContact O-C 3.54Å; G442-Q461 VanDerWaalsContact O-CA 3.28Å; G442-Q461 WeakPolarHBondContact O-CA 3.44Å |
| 462 | M | 84.1 | Confident | 78.5 | Confident | 9 Ų | 9 | 72.2 Ų | 72.2 | 4% | 0.044 | 35% | 0.353 | C | S | . | . | trans | -126 | 133.1 | 172.6 | -62.8 | -175.2 | -175.7 | 0 | 0 | 108 | I441 G442 R443 I460 M467 F517 Y523 | I441-M462 HydrophobicContact CD1-CE 4.08Å; I441-M462 HydrophobicContact CG1-CE 4.29Å; I441-M462 HydrophobicContact CG2-CE 3.96Å; I441-M462 HydrophobicContact CG2-CG 4.12Å; I441-M462 HydrophobicContact CG2-SD 3.53Å; I441-M462 VanDerWaalsContact CG2-SD 3.53Å; G442-M462 PolarHBondContact O-N 3.4Å; R443-M462 VanDerWaalsContact CA-O 3.28Å; R443-M462 WeakPolarHBondContact CA-O 3.19Å; I460-M462 HydrophobicContact CG2-CE 3.71Å; I460-M462 HydrophobicContact CG2-CG 4.18Å; M462-M467 HydrophobicContact CB-CE 3.78Å; M462-M467 HydrophobicContact CB-SD 4.43Å; M462-M467 VanDerWaalsContact O-CG 3.31Å; M462-M467 WeakPolarHBondContact O-CG 3.4Å; M462-M467 HydrophobicContact SD-CE 4.35Å; M462-F517 HydrophobicContact SD-CD2 4.47Å; M462-Y523 HydrophobicContact CE-CE1 4.38Å; M462-Y523 HydrophobicContact CE-CE2 3.79Å; M462-Y523 WeakPolarHBondContact CE-OH 3.39Å; M462-Y523 HydrophobicContact SD-CE2 3.82Å | ||
| 463 | K | 74.6 | Confident | 80.5 | Confident | 127 Ų | 127 | 66.5 Ų | 66.5 | 55% | 0.552 | 32% | 0.322 | S | S | * | . | trans | -105.3 | 149.1 | 172.9 | -65.7 | -173.5 | 177.5 | -171.8 | 0 | 109.1 | Q521 | K463-Q521 PolarHBondContact O-NE2 2.85Š| ||
| 464 | G | 72.1 | Confident | 82.6 | Confident | 12 Ų | 12 | 57.1 Ų | 57.1 | 12% | 0.124 | 28% | 0.278 | C | S | . | . | trans | 158.8 | 162.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | M467 | G464-M467 WeakPolarHBondContact O-CB 3.26Å; G464-M467 PolarHBondContact O-N 3.23Å; G464-M467 VanDerWaalsContact O-N 3.1Å | ||
| 465 | L | 73.4 | Confident | 84.6 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 139.6 | 174.3 | -76.9 | 156.7 | 0 | 0 | 0 | 111.3 | M467 S519 E589 A592 I593 Y656 | L465-M467 PolarHBondContact O-N 2.84Å; L465-S519 PolarHBondContact O-N 3.26Å; L465-S519 PolarHBondContact O-OG 3.36Å; L465-E589 HydrophobicContact CD1-CG 3.6Å; L465-A592 HydrophobicContact CB-CB 4Å; L465-A592 HydrophobicContact CD2-CB 4.06Å; L465-I593 HydrophobicContact CD1-CD1 3.95Å; L465-I593 HydrophobicContact CD1-CG1 3.51Å; L465-I593 HydrophobicContact CD2-CB 4.37Å; L465-I593 HydrophobicContact CD2-CG1 3.57Å; L465-I593 HydrophobicContact CG-CG1 4.21Å; L465-Y656 HydrophobicContact CD1-CE1 4.37Å; L465-Y656 HydrophobicContact CD2-CD1 4.28Å; L465-Y656 HydrophobicContact CD2-CD2 4.22Å; L465-Y656 HydrophobicContact CD2-CE1 3.78Å; L465-Y656 HydrophobicContact CD2-CE2 3.73Å; L465-Y656 HydrophobicContact CD2-CG 4.47Å; L465-Y656 VanDerWaalsContact CD2-CZ 3.47Å; L465-Y656 HydrophobicContact CG-CD1 4.46Å; L465-Y656 HydrophobicContact CG-CE1 3.86Å |
| 466 | C | 78.5 | Confident | 86.1 | Confident | 35 Ų | 35 | 46.7 Ų | 46.7 | 24% | 0.236 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57 | 10.3 | -174.2 | -68.1 | 0 | 0 | 0 | 0 | 115.8 | M495 A592 | C466-M495 HydrophobicContact CB-CG 4.06Å; C466-M495 HydrophobicContact CB-SD 3.8Å; C466-A592 WeakPolarHBondContact SG-CB 3.49Å |
| 467 | M | 84.1 | Confident | 86.7 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | trans | -78.1 | 125.2 | 168.8 | -169 | 65.8 | 66.7 | 0 | 0 | 109.2 | R443 M462 G464 L465 H471 F517 Q521 | R443-M467 HydrophobicContact CB-CG 4.2Å; R443-M467 VanDerWaalsContact CZ-O 3.24Å; R443-M467 PolarHBondContact NE-O 3.18Å; R443-M467 PolarHBondContact NH2-O 2.92Å; M462-M467 HydrophobicContact CB-CE 3.78Å; M462-M467 HydrophobicContact CB-SD 4.43Å; M462-M467 VanDerWaalsContact O-CG 3.31Å; M462-M467 WeakPolarHBondContact O-CG 3.4Å; M462-M467 HydrophobicContact SD-CE 4.35Å; G464-M467 WeakPolarHBondContact O-CB 3.26Å; G464-M467 PolarHBondContact O-N 3.23Å; G464-M467 VanDerWaalsContact O-N 3.1Å; L465-M467 PolarHBondContact O-N 2.84Å; M467-H471 HydrophobicContact SD-CB 3.73Å; M467-H471 VanDerWaalsContact SD-CG 3.59Å; M467-F517 HydrophobicContact CE-CB 3.7Å; M467-F517 HydrophobicContact SD-CB 4.35Å; M467-Q521 HydrophobicContact CE-CB 3.88Å; M467-Q521 HydrophobicContact CE-CG 3.59Å | ||
| 468 | V | 84.6 | Confident | 86.7 | Confident | 39 Ų | 39 | 42.3 Ų | 42.3 | 24% | 0.236 | 22% | 0.223 | C | C | . | . | trans | -95 | 152.1 | -179.8 | -177.1 | 0 | 0 | 0 | 0 | 108.3 | G442 R443 E470 H471 N491 A492 | G442-V468 CarbonylContact C-O 3.6Å; G442-V468 VanDerWaalsContact CA-O 3.27Å; G442-V468 WeakPolarHBondContact CA-O 3.32Å; R443-V468 PolarHBondContact N-O 3.39Å; V468-E470 VanDerWaalsContact C-N 3.3Å; V468-E470 PolarHBondContact O-N 2.71Å; V468-H471 HydrophobicContact CB-CB 4.49Å; V468-H471 PolarHBondContact N-ND1 2.93Å; V468-N491 HydrophobicContact CG1-CB 4.08Å; V468-A492 HydrophobicContact CG2-CB 4.24Å | ||
| 469 | D | 88.2 | Confident | 86.4 | Confident | 79 Ų | 79 | 48.5 Ų | 48.5 | 42% | 0.422 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -47 | -54.8 | 178.2 | -61.9 | -20.9 | 0 | 0 | 0 | 111.5 | G442 R443 E444 | G442-D469 CarbonylContact C-O 3.5Å; G442-D469 VanDerWaalsContact C-O 3.28Å; G442-D469 WeakPolarHBondContact CA-O 3.44Å; R443-D469 WeakPolarHBondContact CD-OD1 3.36Å; R443-D469 PolarHBondContact N-O 2.63Å; E444-D469 HydrophobicContact CB-CB 4.47Å; E444-D469 PolarHBondContact N-O 3.37Å; E444-D469 CarbonylContact O-C 3.48Å; E444-D469 VanDerWaalsContact O-C 3.22Å |
| 470 | E | 91 | Very high | 86 | Confident | 73 Ų | 73 | 50.5 Ų | 50.5 | 34% | 0.341 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -110.6 | 100.2 | 169.2 | -56.8 | -179.5 | -99.4 | 0 | 0 | 108.7 | P446 W459 V468 L489 | P446-E470 HydrophobicContact CB-CG 4.48Å; W459-E470 HydrophobicContact CH2-CB 3.91Å; W459-E470 HydrophobicContact CH2-CG 3.77Å; W459-E470 HydrophobicContact CZ2-CG 4.43Å; W459-E470 HydrophobicContact CZ3-CB 4.22Å; W459-E470 HydrophobicContact CZ3-CG 4.22Å; V468-E470 VanDerWaalsContact C-N 3.3Å; V468-E470 PolarHBondContact O-N 2.71Å; E470-L489 HydrophobicContact CB-CD1 3.47Å; E470-L489 VanDerWaalsContact CB-CD1 3.47Å; E470-L489 WeakPolarHBondContact O-CD1 3.39Å |
| 471 | H | 91.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | trans | -94.9 | -54.3 | -172 | -163.5 | 90.9 | 0 | 0 | 0 | 112.6 | I441 M467 V468 L489 A492 M495 T496 F517 G518 | I441-H471 WeakPolarHBondContact O-CA 3.31Å; I441-H471 VanDerWaalsContact O-CB 3.24Å; I441-H471 WeakPolarHBondContact O-CB 3.34Å; I441-H471 PolarHBondContact O-N 3.01Å; M467-H471 HydrophobicContact SD-CB 3.73Å; M467-H471 VanDerWaalsContact SD-CG 3.59Å; V468-H471 HydrophobicContact CB-CB 4.49Å; V468-H471 PolarHBondContact N-ND1 2.93Å; H471-L489 PolarHBondContact O-N 2.82Å; H471-A492 HydrophobicContact CB-CB 4.32Å; H471-A492 WeakPolarHBondContact O-CB 3.32Å; H471-M495 PolarHBondContact NE2-O 3.13Å; H471-T496 PolarHBondContact CD2-OG1 3.42Å; H471-T496 PolarHBondContact NE2-OG1 3.04Å; H471-F517 AromaticContact CD2-CD1 3.6Å; H471-F517 AromaticContact NE2-CD1 3.98Å; H471-G518 PolarHBondContact CE1-N 2.99Å; H471-G518 VanDerWaalsContact CE1-N 3.25Å; H471-G518 PolarHBondContact NE2-N 2.86Å; H471-G518 VanDerWaalsContact NE2-N 3.18Å | ||
| 472 | A | 94.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 159.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G440 I441 L486 R487 F517 | G440-A472 CarbonylContact C-O 3.59Å; G440-A472 WeakPolarHBondContact CA-O 3.44Å; I441-A472 PolarHBondContact N-O 3.12Å; I441-A472 PolarHBondContact O-N 3.41Å; A472-L486 HydrophobicContact CB-CD1 3.96Å; A472-R487 CarbonylContact C-O 3.49Å; A472-R487 VanDerWaalsContact CA-O 3.32Å; A472-R487 WeakPolarHBondContact CA-O 3.36Å; A472-F517 HydrophobicContact CB-CD1 4.16Å; A472-F517 HydrophobicContact CB-CE1 3.66Å |
| 473 | L | 95.1 | Very high | 86.1 | Confident | 24 Ų | 24 | 50.8 Ų | 50.8 | 13% | 0.126 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 130.8 | 174.3 | -63.1 | 173 | 0 | 0 | 0 | 109.9 | V457 W459 I475 L486 R487 L489 | V457-L473 HydrophobicContact CG1-CD2 4.01Å; W459-L473 HydrophobicContact CH2-CD2 4.1Å; W459-L473 HydrophobicContact CZ2-CD2 4.41Å; L473-I475 HydrophobicContact CB-CG1 4.31Å; L473-L486 CarbonylContact O-C 3.54Å; L473-R487 HydrophobicContact CB-CB 4.36Å; L473-R487 PolarHBondContact N-O 2.91Å; L473-R487 PolarHBondContact O-N 2.79Å; L473-L489 HydrophobicContact CD1-CD2 4.12Å; L473-L489 HydrophobicContact CG-CD2 4.38Å |
| 474 | L | 95.7 | Very high | 87.1 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 115.7 | 169.3 | -72 | 151.5 | 0 | 0 | 0 | 108.5 | L417 L434 Q438 T439 I441 V484 E485 L486 L509 | L417-L474 HydrophobicContact CD1-CD1 3.79Å; L434-L474 HydrophobicContact CD1-CB 4.29Å; L434-L474 HydrophobicContact CD1-CD1 4.32Å; L434-L474 HydrophobicContact CD1-CD2 4.27Å; L434-L474 HydrophobicContact CD2-CD1 3.86Å; Q438-L474 WeakPolarHBondContact CA-O 3.32Å; T439-L474 PolarHBondContact N-O 2.79Å; T439-L474 PolarHBondContact O-N 3.17Å; I441-L474 HydrophobicContact CD1-CD1 3.52Å; I441-L474 HydrophobicContact CG1-CD1 4.3Å; L474-V484 HydrophobicContact CD2-CG1 4.04Å; L474-E485 CarbonylContact C-O 3.6Å; L474-E485 WeakPolarHBondContact CA-O 3.5Å; L474-L486 HydrophobicContact CD2-CB 4.38Å; L474-L486 HydrophobicContact CD2-CD1 3.85Å; L474-L486 HydrophobicContact CG-CD1 4.02Å; L474-L509 HydrophobicContact CD2-CD1 3.49Å; L474-L509 VanDerWaalsContact CD2-CD1 3.49Å |
| 475 | I | 94.9 | Very high | 88.2 | Confident | 11 Ų | 11 | 45.3 Ų | 45.3 | 6% | 0.056 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 119.8 | -172.1 | -53.1 | 174.3 | 0 | 0 | 0 | 108.5 | Q438 L473 V484 E485 R487 | Q438-I475 HydrophobicContact CG-CG1 4.27Å; Q438-I475 HydrophobicContact CG-CG2 4.24Å; L473-I475 HydrophobicContact CB-CG1 4.31Å; I475-V484 CarbonylContact O-C 3.56Å; I475-V484 WeakPolarHBondContact O-CA 3.49Å; I475-E485 HydrophobicContact CB-CB 4.36Å; I475-E485 PolarHBondContact N-O 2.81Å; I475-E485 PolarHBondContact O-N 3.13Å; I475-R487 VanDerWaalsContact CD1-CZ 3.48Å |
| 476 | R | 92.6 | Very high | 89.4 | Confident | 43 Ų | 43 | 45.1 Ų | 45.1 | 16% | 0.162 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 121.3 | 176.1 | -68 | -178.1 | 58.8 | -142.9 | -3.8 | 110.2 | L434 H436 K437 T480 G481 E483 V484 | L434-R476 WeakPolarHBondContact O-CD 2.93Å; L434-R476 PolarHBondContact O-NH1 3.35Å; H436-R476 WeakPolarHBondContact O-CD 3.32Å; K437-R476 PolarHBondContact O-N 2.98Å; R476-T480 PolarHBondContact NH2-O 3.07Å; R476-G481 PolarHBondContact NE-O 2.89Å; R476-G481 VanDerWaalsContact NE-O 3.08Å; R476-G481 PolarHBondContact NH2-O 3.32Å; R476-E483 WeakPolarHBondContact CA-O 3.29Å; R476-V484 HydrophobicContact CG-CG2 4.09Å |
| 477 | H | 91.5 | Very high | 90.2 | Very high | 74 Ų | 74 | 48.1 Ų | 48.1 | 34% | 0.343 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 149.4 | -178.8 | -67.5 | -70.1 | 0 | 0 | 0 | 112.4 | G481 E483 E485 | H477-G481 WeakPolarHBondContact O-CA 3.46Å; H477-G481 PolarHBondContact O-N 3.48Å; H477-E483 HydrophobicContact CB-CB 4.12Å; H477-E483 PolarHBondContact N-O 2.88Å; H477-E485 IonicContact CD2-OE2 2.75Å; H477-E485 IonicContact CE1-OE2 3.67Å; H477-E485 PolarHBondContact CE1-OE2 3.04Å; H477-E485 IonicContact NE2-OE2 2.72Å; H477-E485 PolarHBondContact NE2-OE2 3.2Å |
| 478 | G | 86 | Confident | 90.6 | Very high | 71 Ų | 71 | 48.4 Ų | 48.4 | 73% | 0.732 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.7 | 179.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 479 | K | 80.3 | Confident | 91 | Very high | 221 Ų | 221 | 48.1 Ų | 48.1 | 96% | 0.961 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -36.9 | -177.5 | -69 | -177 | 179.6 | 178.5 | 0 | 112.9 | ||
| 480 | T | 80.5 | Confident | 90.9 | Very high | 96 Ų | 96 | 49.7 Ų | 49.7 | 59% | 0.589 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -24.9 | 177.2 | 56.1 | 0 | 0 | 0 | 0 | 111.6 | R476 A482 L529 | R476-T480 PolarHBondContact NH2-O 3.07Å; T480-A482 VanDerWaalsContact C-N 3.27Å; T480-A482 PolarHBondContact OG1-N 3.26Å; T480-L529 WeakPolarHBondContact O-CD1 3.13Å |
| 481 | G | 82.2 | Confident | 90.5 | Very high | 3 Ų | 3 | 52.9 Ų | 52.9 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | trans | 64.4 | 33.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R476 H477 | R476-G481 PolarHBondContact NE-O 2.89Å; R476-G481 VanDerWaalsContact NE-O 3.08Å; R476-G481 PolarHBondContact NH2-O 3.32Å; H477-G481 WeakPolarHBondContact O-CA 3.46Å; H477-G481 PolarHBondContact O-N 3.48Å | ||
| 482 | A | 85.1 | Confident | 90.3 | Very high | 26 Ų | 26 | 52.9 Ų | 52.9 | 22% | 0.215 | 29% | 0.286 | C | S | . | . | trans | -78 | -32.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | T480 N527 L529 | T480-A482 VanDerWaalsContact C-N 3.27Å; T480-A482 PolarHBondContact OG1-N 3.26Å; A482-N527 PolarHBondContact O-ND2 3.47Å; A482-L529 HydrophobicContact CB-CB 3.76Å; A482-L529 HydrophobicContact CB-CD1 4.14Å | ||
| 483 | E | 92 | Very high | 89.9 | Confident | 128 Ų | 128 | 54.8 Ų | 54.8 | 60% | 0.598 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 126.1 | 172.6 | -72 | 175.4 | -170.4 | 0 | 0 | 109.4 | R476 H477 | R476-E483 WeakPolarHBondContact CA-O 3.29Å; H477-E483 HydrophobicContact CB-CB 4.12Å; H477-E483 PolarHBondContact N-O 2.88Å |
| 484 | V | 95.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 118.2 | 179 | -172 | 0 | 0 | 0 | 0 | 109 | P415 L434 L474 I475 R476 L509 F525 | P415-V484 HydrophobicContact CB-CG2 3.96Å; P415-V484 HydrophobicContact CG-CG2 3.81Å; L434-V484 HydrophobicContact CD1-CG1 3.93Å; L474-V484 HydrophobicContact CD2-CG1 4.04Å; I475-V484 CarbonylContact O-C 3.56Å; I475-V484 WeakPolarHBondContact O-CA 3.49Å; R476-V484 HydrophobicContact CG-CG2 4.09Å; V484-L509 HydrophobicContact CG1-CD1 4.15Å; V484-L509 PolarHBondContact O-N 3.16Å; V484-F525 HydrophobicContact CB-CE1 4.46Å; V484-F525 HydrophobicContact CB-CE2 4.23Å; V484-F525 HydrophobicContact CB-CZ 3.69Å; V484-F525 HydrophobicContact CG1-CE2 4.26Å; V484-F525 HydrophobicContact CG1-CZ 4.22Å; V484-F525 HydrophobicContact CG2-CE2 4.13Å; V484-F525 HydrophobicContact CG2-CZ 3.58Å |
| 485 | E | 96.3 | Very high | 88.7 | Confident | 23 Ų | 23 | 66.6 Ų | 66.6 | 11% | 0.107 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 126.9 | 173.7 | 178.9 | -167.4 | 164.7 | 0 | 0 | 109.2 | L474 I475 H477 R487 S506 V507 | L474-E485 CarbonylContact C-O 3.6Å; L474-E485 WeakPolarHBondContact CA-O 3.5Å; I475-E485 HydrophobicContact CB-CB 4.36Å; I475-E485 PolarHBondContact N-O 2.81Å; I475-E485 PolarHBondContact O-N 3.13Å; H477-E485 IonicContact CD2-OE2 2.75Å; H477-E485 IonicContact CE1-OE2 3.67Å; H477-E485 PolarHBondContact CE1-OE2 3.04Å; H477-E485 IonicContact NE2-OE2 2.72Å; H477-E485 PolarHBondContact NE2-OE2 3.2Å; E485-R487 IonicContact OE1-CZ 3.43Å; E485-R487 IonicContact OE1-NE 3.43Å; E485-R487 PolarHBondContact OE1-NE 3.25Å; E485-R487 IonicContact OE1-NH2 3.49Å; E485-R487 PolarHBondContact OE1-NH2 2.68Å; E485-R487 IonicContact OE2-NH2 2.66Å; E485-R487 PolarHBondContact OE2-NH2 3Å; E485-S506 WeakPolarHBondContact OE1-CB 3.36Å; E485-S506 PolarHBondContact OE1-OG 2.85Å; E485-V507 WeakPolarHBondContact CA-O 3.28Å |
| 486 | L | 97 | Very high | 88.6 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 123.2 | 165 | 179.1 | 63.9 | 0 | 0 | 0 | 109.3 | A472 L473 L474 T496 V498 V503 S506 V507 L509 I515 F517 | A472-L486 HydrophobicContact CB-CD1 3.96Å; L473-L486 CarbonylContact O-C 3.54Å; L474-L486 HydrophobicContact CD2-CB 4.38Å; L474-L486 HydrophobicContact CD2-CD1 3.85Å; L474-L486 HydrophobicContact CG-CD1 4.02Å; L486-T496 HydrophobicContact CD2-CG2 3.92Å; L486-T496 HydrophobicContact CG-CG2 4.45Å; L486-V498 HydrophobicContact CD2-CG2 3.51Å; L486-V503 HydrophobicContact CD2-CG2 4.31Å; L486-S506 CarbonylContact O-C 3.59Å; L486-S506 WeakPolarHBondContact O-CA 3.3Å; L486-S506 VanDerWaalsContact O-CB 3.24Å; L486-S506 WeakPolarHBondContact O-CB 3.43Å; L486-V507 HydrophobicContact CB-CG1 4.04Å; L486-V507 HydrophobicContact CD2-CG1 4.42Å; L486-V507 PolarHBondContact N-O 2.85Å; L486-V507 PolarHBondContact O-N 3.01Å; L486-L509 HydrophobicContact CB-CD1 3.95Å; L486-L509 HydrophobicContact CB-CD2 3.91Å; L486-L509 HydrophobicContact CB-CG 3.88Å; L486-L509 HydrophobicContact CD2-CD2 4.23Å; L486-I515 HydrophobicContact CD2-CD1 4.38Å; L486-I515 HydrophobicContact CD2-CG2 3.63Å; L486-F517 HydrophobicContact CD1-CE1 3.97Å; L486-F517 HydrophobicContact CD1-CZ 4.15Å |
| 487 | R | 95.8 | Very high | 88.6 | Confident | 98 Ų | 98 | 65.5 Ų | 65.5 | 37% | 0.37 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 118.3 | 173.9 | -176.2 | 177.4 | -59.6 | 162 | 4.8 | 110.1 | A472 L473 I475 E485 N505 | A472-R487 CarbonylContact C-O 3.49Å; A472-R487 VanDerWaalsContact CA-O 3.32Å; A472-R487 WeakPolarHBondContact CA-O 3.36Å; L473-R487 HydrophobicContact CB-CB 4.36Å; L473-R487 PolarHBondContact N-O 2.91Å; L473-R487 PolarHBondContact O-N 2.79Å; I475-R487 VanDerWaalsContact CD1-CZ 3.48Å; E485-R487 IonicContact OE1-CZ 3.43Å; E485-R487 IonicContact OE1-NE 3.43Å; E485-R487 PolarHBondContact OE1-NE 3.25Å; E485-R487 IonicContact OE1-NH2 3.49Å; E485-R487 PolarHBondContact OE1-NH2 2.68Å; E485-R487 IonicContact OE2-NH2 2.66Å; E485-R487 PolarHBondContact OE2-NH2 3Å; R487-N505 WeakPolarHBondContact CA-O 3.47Å |
| 488 | A | 93.1 | Very high | 88.8 | Confident | 7 Ų | 7 | 62.6 Ų | 62.6 | 6% | 0.058 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 133.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | V493 T496 V503 N505 | A488-V493 HydrophobicContact CB-CG2 4.37Å; A488-T496 HydrophobicContact CB-CG2 3.98Å; A488-V503 HydrophobicContact CB-CB 4.07Å; A488-V503 HydrophobicContact CB-CG1 4.05Å; A488-N505 PolarHBondContact N-O 2.83Å |
| 489 | L | 92.1 | Very high | 89.1 | Confident | 32 Ų | 32 | 61.2 Ų | 61.2 | 17% | 0.168 | 30% | 0.303 | C | S | . | . | trans | -80 | 156 | 176.5 | -67 | 176.7 | 0 | 0 | 0 | 110.7 | E470 H471 L473 N491 A492 V493 | E470-L489 HydrophobicContact CB-CD1 3.47Å; E470-L489 VanDerWaalsContact CB-CD1 3.47Å; E470-L489 WeakPolarHBondContact O-CD1 3.39Å; H471-L489 PolarHBondContact O-N 2.82Å; L473-L489 HydrophobicContact CD1-CD2 4.12Å; L473-L489 HydrophobicContact CG-CD2 4.38Å; L489-N491 VanDerWaalsContact C-N 3.27Å; L489-N491 PolarHBondContact O-N 2.99Å; L489-N491 VanDerWaalsContact O-N 3.07Å; L489-A492 CarbonylContact O-C 3.55Å; L489-A492 WeakPolarHBondContact O-CA 3.16Å; L489-A492 PolarHBondContact O-N 3.26Å; L489-V493 WeakPolarHBondContact O-CG2 3.25Å; L489-V493 PolarHBondContact O-N 3.38Å; L489-V493 VanDerWaalsContact O-N 3.08Å | ||
| 490 | P | 86.1 | Confident | 89.4 | Confident | 113 Ų | 113 | 51.1 Ų | 51.1 | 73% | 0.734 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | -38.9 | -167.9 | -30.5 | 36.2 | 0 | 0 | 0 | 115.2 | A492 | P490-A492 VanDerWaalsContact C-N 3.26Å; P490-A492 PolarHBondContact O-N 3.1Å |
| 491 | N | 83.9 | Confident | 89.9 | Confident | 140 Ų | 140 | 50.6 Ų | 50.6 | 75% | 0.749 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -6.3 | -179.9 | -64.8 | -20.8 | 0 | 0 | 0 | 113.5 | V468 L489 | V468-N491 HydrophobicContact CG1-CB 4.08Å; L489-N491 VanDerWaalsContact C-N 3.27Å; L489-N491 PolarHBondContact O-N 2.99Å; L489-N491 VanDerWaalsContact O-N 3.07Å |
| 492 | A | 86.9 | Confident | 90.3 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.9 | -4.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | V468 H471 L489 P490 R494 M495 T496 | V468-A492 HydrophobicContact CG2-CB 4.24Å; H471-A492 HydrophobicContact CB-CB 4.32Å; H471-A492 WeakPolarHBondContact O-CB 3.32Å; L489-A492 CarbonylContact O-C 3.55Å; L489-A492 WeakPolarHBondContact O-CA 3.16Å; L489-A492 PolarHBondContact O-N 3.26Å; P490-A492 VanDerWaalsContact C-N 3.26Å; P490-A492 PolarHBondContact O-N 3.1Å; A492-R494 VanDerWaalsContact C-N 3.3Å; A492-R494 PolarHBondContact O-N 3.05Å; A492-M495 CarbonylContact O-C 3.54Å; A492-M495 WeakPolarHBondContact O-CA 3.46Å; A492-M495 PolarHBondContact O-N 2.91Å; A492-T496 PolarHBondContact O-N 3.21Å; A492-T496 PolarHBondContact O-OG1 2.84Å; A492-T496 VanDerWaalsContact O-OG1 3.1Å |
| 493 | V | 85.7 | Confident | 90.5 | Very high | 39 Ų | 39 | 52.6 Ų | 52.6 | 24% | 0.236 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -46.3 | -48.4 | 179.8 | 174 | 0 | 0 | 0 | 0 | 112.8 | A488 L489 M495 V503 | A488-V493 HydrophobicContact CB-CG2 4.37Å; L489-V493 WeakPolarHBondContact O-CG2 3.25Å; L489-V493 PolarHBondContact O-N 3.38Å; L489-V493 VanDerWaalsContact O-N 3.08Å; V493-M495 VanDerWaalsContact C-N 3.28Å; V493-M495 PolarHBondContact O-N 2.71Å; V493-V503 WeakPolarHBondContact CG1-O 3.43Å |
| 494 | R | 80.3 | Confident | 90.2 | Very high | 207 Ų | 207 | 55.1 Ų | 55.1 | 78% | 0.781 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -73.1 | -21.2 | -179.4 | -66.8 | -174.6 | 173.5 | -168.2 | -1.5 | 113.8 | A492 | A492-R494 VanDerWaalsContact C-N 3.3Å; A492-R494 PolarHBondContact O-N 3.05Å |
| 495 | M | 85.2 | Confident | 89.7 | Confident | 67 Ų | 67 | 61 Ų | 61 | 33% | 0.33 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -102.8 | -3 | -175.4 | -57.3 | -58.7 | 133.8 | 0 | 0 | 112.4 | C466 H471 A492 V493 F517 G518 | C466-M495 HydrophobicContact CB-CG 4.06Å; C466-M495 HydrophobicContact CB-SD 3.8Å; H471-M495 PolarHBondContact NE2-O 3.13Å; A492-M495 CarbonylContact O-C 3.54Å; A492-M495 WeakPolarHBondContact O-CA 3.46Å; A492-M495 PolarHBondContact O-N 2.91Å; V493-M495 VanDerWaalsContact C-N 3.28Å; V493-M495 PolarHBondContact O-N 2.71Å; M495-F517 CarbonylContact O-C 3.56Å; M495-G518 PolarHBondContact O-N 3.23Å |
| 496 | T | 92.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 113.2 | 172.6 | -56.8 | 0 | 0 | 0 | 0 | 108.3 | H471 L486 A488 A492 P502 V503 L516 F517 | H471-T496 PolarHBondContact CD2-OG1 3.42Å; H471-T496 PolarHBondContact NE2-OG1 3.04Å; L486-T496 HydrophobicContact CD2-CG2 3.92Å; L486-T496 HydrophobicContact CG-CG2 4.45Å; A488-T496 HydrophobicContact CB-CG2 3.98Å; A492-T496 PolarHBondContact O-N 3.21Å; A492-T496 PolarHBondContact O-OG1 2.84Å; A492-T496 VanDerWaalsContact O-OG1 3.1Å; T496-P502 WeakPolarHBondContact O-CA 3.28Å; T496-V503 HydrophobicContact CG2-CB 4.31Å; T496-V503 HydrophobicContact CG2-CG2 3.99Å; T496-V503 PolarHBondContact O-N 3.07Å; T496-L516 CarbonylContact C-O 3.59Å; T496-L516 WeakPolarHBondContact CA-O 3.27Å; T496-F517 HydrophobicContact CG2-CD1 4.17Å; T496-F517 HydrophobicContact CG2-CE1 4.13Å |
| 497 | K | 92.8 | Very high | 89.5 | Confident | 31 Ų | 31 | 65 Ų | 65 | 14% | 0.135 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 142.2 | 178.8 | -54.5 | 178 | -177 | 172.6 | 0 | 110.6 | V501 P502 I515 L516 L555 | K497-V501 CarbonylContact C-O 3.45Å; K497-V501 WeakPolarHBondContact CA-O 3.38Å; K497-P502 HydrophobicContact CG-CG 4.34Å; K497-I515 CarbonylContact O-C 3.48Å; K497-I515 WeakPolarHBondContact O-CA 3.49Å; K497-L516 HydrophobicContact CB-CB 4.21Å; K497-L516 HydrophobicContact CD-CD2 4.12Å; K497-L516 PolarHBondContact N-O 2.9Å; K497-L516 PolarHBondContact O-N 2.98Å; K497-L555 HydrophobicContact CD-CD1 3.6Å |
| 498 | V | 94.9 | Very high | 89.5 | Confident | 13 Ų | 13 | 63.9 Ų | 63.9 | 8% | 0.079 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 127.1 | 168.1 | 177.8 | 0 | 0 | 0 | 0 | 107.9 | L486 G500 V501 V503 V507 L509 D513 R514 I515 | L486-V498 HydrophobicContact CD2-CG2 3.51Å; V498-G500 PolarHBondContact O-N 3.47Å; V498-V501 PolarHBondContact N-O 2.98Å; V498-V501 PolarHBondContact O-N 3.15Å; V498-V503 HydrophobicContact CB-CG2 4.33Å; V498-V503 HydrophobicContact CG2-CG2 3.7Å; V498-V507 HydrophobicContact CB-CG1 4.38Å; V498-V507 HydrophobicContact CG2-CG1 3.75Å; V498-L509 HydrophobicContact CG1-CD2 4.29Å; V498-L509 HydrophobicContact CG2-CD2 4.02Å; V498-D513 HydrophobicContact CG1-CB 4.12Å; V498-R514 CarbonylContact C-O 3.59Å; V498-R514 VanDerWaalsContact CA-O 3.32Å; V498-R514 WeakPolarHBondContact CA-O 3.31Å; V498-I515 HydrophobicContact CG2-CG1 4.33Å; V498-I515 HydrophobicContact CG2-CG2 4.47Å |
| 499 | N | 93.1 | Very high | 89.7 | Confident | 41 Ų | 41 | 63.8 Ų | 63.8 | 22% | 0.219 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 44.9 | -178.3 | -58.9 | -21.3 | 0 | 0 | 0 | 111.6 | V501 D513 R514 E554 | N499-V501 PolarHBondContact O-N 3.2Å; N499-V501 VanDerWaalsContact O-N 3.16Å; N499-D513 PolarHBondContact ND2-OD1 2.63Å; N499-D513 WeakPolarHBondContact OD1-CA 3.33Å; N499-R514 PolarHBondContact N-O 3.07Å; N499-R514 PolarHBondContact OD1-N 2.81Å; N499-R514 PolarHBondContact OD1-NE 3.44Å; N499-R514 PolarHBondContact OD1-NH1 2.88Å; N499-R514 PolarHBondContact OD1-NH2 3.16Å; N499-E554 VanDerWaalsContact CA-OE2 3.26Å; N499-E554 WeakPolarHBondContact CA-OE2 3.36Å; N499-E554 WeakPolarHBondContact CB-OE1 3.29Å; N499-E554 WeakPolarHBondContact O-CG 2.95Å |
| 500 | G | 87.6 | Confident | 89.8 | Confident | 9 Ų | 9 | 66.8 Ų | 66.8 | 9% | 0.093 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | -14.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116 | V498 A558 | V498-G500 PolarHBondContact O-N 3.47Å; G500-A558 WeakPolarHBondContact O-CB 3.41Å |
| 501 | V | 90.6 | Very high | 90.1 | Very high | 85 Ų | 85 | 62.2 Ų | 62.2 | 52% | 0.515 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 130.8 | -173.8 | -177 | 0 | 0 | 0 | 0 | 111.6 | K497 V498 N499 V503 A558 | K497-V501 CarbonylContact C-O 3.45Å; K497-V501 WeakPolarHBondContact CA-O 3.38Å; V498-V501 PolarHBondContact N-O 2.98Å; V498-V501 PolarHBondContact O-N 3.15Å; N499-V501 PolarHBondContact O-N 3.2Å; N499-V501 VanDerWaalsContact O-N 3.16Å; V501-V503 PolarHBondContact O-N 2.89Å; V501-A558 HydrophobicContact CG2-CB 4.11Å |
| 502 | P | 89.3 | Confident | 90.5 | Very high | 65 Ų | 65 | 57.7 Ų | 57.7 | 42% | 0.422 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 133.2 | 175.3 | -23.6 | 33.5 | 0 | 0 | 0 | 113.3 | T496 K497 K504 | T496-P502 WeakPolarHBondContact O-CA 3.28Å; K497-P502 HydrophobicContact CG-CG 4.34Å; P502-K504 PolarHBondContact O-N 3Å |
| 503 | V | 91.1 | Very high | 90.9 | Very high | 7 Ų | 7 | 58.4 Ų | 58.4 | 4% | 0.042 | 30% | 0.299 | C | S | . | . | trans | -77.3 | 115.2 | 178 | 179.4 | 0 | 0 | 0 | 0 | 109 | L486 A488 V493 T496 V498 V501 V507 | L486-V503 HydrophobicContact CD2-CG2 4.31Å; A488-V503 HydrophobicContact CB-CB 4.07Å; A488-V503 HydrophobicContact CB-CG1 4.05Å; V493-V503 WeakPolarHBondContact CG1-O 3.43Å; T496-V503 HydrophobicContact CG2-CB 4.31Å; T496-V503 HydrophobicContact CG2-CG2 3.99Å; T496-V503 PolarHBondContact O-N 3.07Å; V498-V503 HydrophobicContact CB-CG2 4.33Å; V498-V503 HydrophobicContact CG2-CG2 3.7Å; V501-V503 PolarHBondContact O-N 2.89Å; V503-V507 HydrophobicContact CG1-CG1 4.13Å; V503-V507 HydrophobicContact CG2-CG1 3.95Å | ||
| 504 | K | 85.3 | Confident | 91.4 | Very high | 181 Ų | 181 | 58 Ų | 58 | 79% | 0.787 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -65.9 | -41.6 | -178.8 | -70.7 | -177 | 179.4 | 177.3 | 0 | 113.6 | P502 | P502-K504 PolarHBondContact O-N 3Š|
| 505 | N | 84.6 | Confident | 92.1 | Very high | 122 Ų | 122 | 48.1 Ų | 48.1 | 65% | 0.652 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -147.8 | -67.7 | 177.9 | -72.9 | -43.5 | 0 | 0 | 0 | 109.5 | R487 A488 | R487-N505 WeakPolarHBondContact CA-O 3.47Å; A488-N505 PolarHBondContact N-O 2.83Å |
| 506 | S | 94.1 | Very high | 92.4 | Very high | 59 Ų | 59 | 45.6 Ų | 45.6 | 41% | 0.413 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 160.9 | 172.7 | 63.6 | 0 | 0 | 0 | 0 | 112.6 | E485 L486 | E485-S506 WeakPolarHBondContact OE1-CB 3.36Å; E485-S506 PolarHBondContact OE1-OG 2.85Å; L486-S506 CarbonylContact O-C 3.59Å; L486-S506 WeakPolarHBondContact O-CA 3.3Å; L486-S506 VanDerWaalsContact O-CB 3.24Å; L486-S506 WeakPolarHBondContact O-CB 3.43Å |
| 507 | V | 95.7 | Very high | 92.3 | Very high | 50 Ų | 50 | 45.6 Ų | 45.6 | 30% | 0.303 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 140.1 | -179.4 | 61.3 | 0 | 0 | 0 | 0 | 109.5 | E485 L486 V498 V503 L509 | E485-V507 WeakPolarHBondContact CA-O 3.28Å; L486-V507 HydrophobicContact CB-CG1 4.04Å; L486-V507 HydrophobicContact CD2-CG1 4.42Å; L486-V507 PolarHBondContact N-O 2.85Å; L486-V507 PolarHBondContact O-N 3.01Å; V498-V507 HydrophobicContact CB-CG1 4.38Å; V498-V507 HydrophobicContact CG2-CG1 3.75Å; V503-V507 HydrophobicContact CG1-CG1 4.13Å; V503-V507 HydrophobicContact CG2-CG1 3.95Å; V507-L509 HydrophobicContact CG1-CD2 4.38Å |
| 508 | T | 95.9 | Very high | 92 | Very high | 74 Ų | 74 | 44.2 Ų | 44.2 | 45% | 0.454 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 125.9 | 171.3 | -56.8 | 0 | 0 | 0 | 0 | 109.3 | H510 | T508-H510 PolarHBondContact O-CE1 3.45Å; T508-H510 PolarHBondContact O-ND1 3.23Å |
| 509 | L | 96.2 | Very high | 91.2 | Very high | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 137.5 | -178.1 | -61.7 | 175.5 | 0 | 0 | 0 | 111.7 | L474 V484 L486 V498 V507 D513 I515 F525 | L474-L509 HydrophobicContact CD2-CD1 3.49Å; L474-L509 VanDerWaalsContact CD2-CD1 3.49Å; V484-L509 HydrophobicContact CG1-CD1 4.15Å; V484-L509 PolarHBondContact O-N 3.16Å; L486-L509 HydrophobicContact CB-CD1 3.95Å; L486-L509 HydrophobicContact CB-CD2 3.91Å; L486-L509 HydrophobicContact CB-CG 3.88Å; L486-L509 HydrophobicContact CD2-CD2 4.23Å; V498-L509 HydrophobicContact CG1-CD2 4.29Å; V498-L509 HydrophobicContact CG2-CD2 4.02Å; V507-L509 HydrophobicContact CG1-CD2 4.38Å; L509-D513 WeakPolarHBondContact CA-OD2 3.17Å; L509-D513 HydrophobicContact CD2-CB 4.41Å; L509-I515 HydrophobicContact CD1-CD1 3.55Å; L509-I515 HydrophobicContact CD2-CD1 3.76Å; L509-I515 HydrophobicContact CD2-CG1 4.11Å; L509-I515 HydrophobicContact CG-CD1 4.31Å; L509-F525 HydrophobicContact CB-CD1 3.49Å; L509-F525 VanDerWaalsContact CB-CD1 3.49Å; L509-F525 HydrophobicContact CB-CE1 3.48Å; L509-F525 VanDerWaalsContact CB-CE1 3.48Å; L509-F525 HydrophobicContact CB-CG 4.19Å; L509-F525 HydrophobicContact CB-CZ 4.17Å; L509-F525 HydrophobicContact CD1-CD1 4.21Å; L509-F525 HydrophobicContact CD1-CD2 4.16Å; L509-F525 HydrophobicContact CD1-CE1 4.42Å; L509-F525 HydrophobicContact CD1-CE2 4.37Å; L509-F525 HydrophobicContact CD1-CG 4.08Å; L509-F525 HydrophobicContact CG-CD1 4.45Å |
| 510 | H | 94.2 | Very high | 90.3 | Very high | 96 Ų | 96 | 43.3 Ų | 43.3 | 44% | 0.444 | 23% | 0.234 | S | C | . | . | trans | -113.2 | 159.2 | 176.9 | -60.9 | 80.3 | 0 | 0 | 0 | 110.7 | T508 K512 D513 F525 E532 | T508-H510 PolarHBondContact O-CE1 3.45Å; T508-H510 PolarHBondContact O-ND1 3.23Å; H510-K512 PolarHBondContact O-N 3.36Å; H510-D513 PolarHBondContact N-OD2 3.22Å; H510-D513 WeakPolarHBondContact O-CB 3.44Å; H510-D513 PolarHBondContact O-N 3.12Å; H510-D513 VanDerWaalsContact O-N 3.12Å; H510-F525 VanDerWaalsContact O-CD1 3.29Å; H510-F525 WeakPolarHBondContact O-CD1 3.3Å; H510-E532 IonicContact CD2-OE1 2.81Å | ||
| 511 | H | 93.3 | Very high | 90.2 | Very high | 17 Ų | 17 | 43.9 Ų | 43.9 | 8% | 0.079 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 137 | -178.5 | -177 | 36.3 | 0 | 0 | 0 | 110.1 | D513 H526 N527 E532 F533 E536 | H511-D513 VanDerWaalsContact C-N 3.34Å; H511-H526 AromaticContact CE1-ND1 3.48Å; H511-H526 PolarHBondContact CE1-ND1 3.35Å; H511-N527 HydrophobicContact CB-CB 4.35Å; H511-N527 PolarHBondContact ND1-N 3.31Å; H511-E532 HydrophobicContact CB-CB 3.98Å; H511-E532 VanDerWaalsContact CB-OE2 3.3Å; H511-E532 WeakPolarHBondContact CB-OE2 3.37Å; H511-E532 PolarHBondContact N-OE2 3.39Å; H511-F533 AromaticContact CE1-CD2 3.52Å; H511-F533 AromaticContact NE2-CD2 3.46Å; H511-F533 WeakPolarHBondContact NE2-CD2 3.36Å; H511-E536 IonicContact CD2-OE2 2.65Å; H511-E536 IonicContact NE2-OE2 2.91Å; H511-E536 PolarHBondContact NE2-OE2 2.7Å |
| 512 | K | 91.7 | Very high | 90.2 | Very high | 45 Ų | 45 | 40.3 Ų | 40.3 | 20% | 0.196 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 7.8 | -176 | -66.5 | -176.8 | 172 | 175.2 | 0 | 116 | H510 R514 F525 E536 I546 | H510-K512 PolarHBondContact O-N 3.36Å; K512-R514 VanDerWaalsContact O-CD 3.31Å; K512-R514 WeakPolarHBondContact O-CD 3.28Å; K512-R514 PolarHBondContact O-N 3.06Å; K512-R514 PolarHBondContact O-NH1 3Å; K512-F525 WeakPolarHBondContact CA-O 3.3Å; K512-F525 PolarHBondContact N-O 2.78Å; K512-E536 VanDerWaalsContact CE-OE1 3.29Å; K512-E536 WeakPolarHBondContact CE-OE1 3.43Å; K512-E536 WeakPolarHBondContact CE-OE2 3.2Å; K512-E536 IonicContact NZ-OE1 3.48Å; K512-E536 PolarHBondContact NZ-OE1 3.2Å; K512-E536 IonicContact NZ-OE2 2.78Å; K512-E536 PolarHBondContact NZ-OE2 2.84Å; K512-I546 HydrophobicContact CB-CD1 3.6Å; K512-I546 HydrophobicContact CD-CD1 3.85Å; K512-I546 HydrophobicContact CG-CD1 3.91Å |
| 513 | D | 95.5 | Very high | 90.5 | Very high | 15 Ų | 15 | 37.4 Ų | 37.4 | 8% | 0.08 | 19% | 0.192 | C | C | . | . | trans | -59.6 | 133.7 | 171.9 | -82.1 | -15.4 | 0 | 0 | 0 | 111.8 | V498 N499 L509 H510 H511 F525 | V498-D513 HydrophobicContact CG1-CB 4.12Å; N499-D513 PolarHBondContact ND2-OD1 2.63Å; N499-D513 WeakPolarHBondContact OD1-CA 3.33Å; L509-D513 WeakPolarHBondContact CA-OD2 3.17Å; L509-D513 HydrophobicContact CD2-CB 4.41Å; H510-D513 PolarHBondContact N-OD2 3.22Å; H510-D513 WeakPolarHBondContact O-CB 3.44Å; H510-D513 PolarHBondContact O-N 3.12Å; H510-D513 VanDerWaalsContact O-N 3.12Å; H511-D513 VanDerWaalsContact C-N 3.34Å; D513-F525 HydrophobicContact CB-CB 4.4Å; D513-F525 PolarHBondContact O-N 3.26Å | ||
| 514 | R | 95 | Very high | 90.6 | Very high | 30 Ų | 30 | 37.7 Ų | 37.7 | 11% | 0.113 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 118.9 | 174.6 | -71.9 | 71.4 | 57 | -159.5 | 9.9 | 108.5 | V498 N499 K512 L522 Y523 I546 A551 E554 | V498-R514 CarbonylContact C-O 3.59Å; V498-R514 VanDerWaalsContact CA-O 3.32Å; V498-R514 WeakPolarHBondContact CA-O 3.31Å; N499-R514 PolarHBondContact N-O 3.07Å; N499-R514 PolarHBondContact OD1-N 2.81Å; N499-R514 PolarHBondContact OD1-NE 3.44Å; N499-R514 PolarHBondContact OD1-NH1 2.88Å; N499-R514 PolarHBondContact OD1-NH2 3.16Å; K512-R514 VanDerWaalsContact O-CD 3.31Å; K512-R514 WeakPolarHBondContact O-CD 3.28Å; K512-R514 PolarHBondContact O-N 3.06Å; K512-R514 PolarHBondContact O-NH1 3Å; R514-L522 HydrophobicContact CB-CD1 4.33Å; R514-Y523 CarbonylContact C-O 3.54Å; R514-Y523 WeakPolarHBondContact CA-O 3.25Å; R514-I546 HydrophobicContact CG-CG2 4.05Å; R514-A551 HydrophobicContact CG-CB 4.15Å; R514-E554 IonicContact CZ-OE1 3.57Å; R514-E554 IonicContact CZ-OE2 2.78Å; R514-E554 IonicContact NE-OE1 3.2Å; R514-E554 IonicContact NE-OE2 2.95Å; R514-E554 PolarHBondContact NE-OE2 3.26Å; R514-E554 IonicContact NH2-OE1 2.77Å; R514-E554 PolarHBondContact NH2-OE1 3.38Å; R514-E554 IonicContact NH2-OE2 3.45Å; R514-E554 PolarHBondContact NH2-OE2 3Å; R514-E554 VanDerWaalsContact NH2-OE2 3.17Å |
| 515 | I | 95.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 118.9 | -179.3 | -49.3 | 172.3 | 0 | 0 | 0 | 108.7 | L417 L486 K497 V498 L509 F517 L522 Y523 F525 | L417-I515 HydrophobicContact CD2-CD1 3.77Å; L486-I515 HydrophobicContact CD2-CD1 4.38Å; L486-I515 HydrophobicContact CD2-CG2 3.63Å; K497-I515 CarbonylContact O-C 3.48Å; K497-I515 WeakPolarHBondContact O-CA 3.49Å; V498-I515 HydrophobicContact CG2-CG1 4.33Å; V498-I515 HydrophobicContact CG2-CG2 4.47Å; L509-I515 HydrophobicContact CD1-CD1 3.55Å; L509-I515 HydrophobicContact CD2-CD1 3.76Å; L509-I515 HydrophobicContact CD2-CG1 4.11Å; L509-I515 HydrophobicContact CG-CD1 4.31Å; I515-F517 HydrophobicContact CB-CE2 4.35Å; I515-F517 HydrophobicContact CB-CZ 4.34Å; I515-F517 HydrophobicContact CG2-CD1 4.2Å; I515-F517 HydrophobicContact CG2-CD2 4.29Å; I515-F517 HydrophobicContact CG2-CE1 3.6Å; I515-F517 HydrophobicContact CG2-CE2 3.68Å; I515-F517 HydrophobicContact CG2-CZ 3.31Å; I515-L522 CarbonylContact O-C 3.57Å; I515-L522 WeakPolarHBondContact O-CA 3.3Å; I515-Y523 PolarHBondContact N-O 3.44Å; I515-Y523 PolarHBondContact O-N 2.95Å; I515-F525 HydrophobicContact CD1-CB 3.97Å |
| 516 | L | 91.9 | Very high | 91.5 | Very high | 13 Ų | 13 | 24.8 Ų | 24.8 | 7% | 0.068 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 122.4 | 172.6 | -176.5 | 71.2 | 0 | 0 | 0 | 109.4 | T496 K497 L522 L555 | T496-L516 CarbonylContact C-O 3.59Å; T496-L516 WeakPolarHBondContact CA-O 3.27Å; K497-L516 HydrophobicContact CB-CB 4.21Å; K497-L516 HydrophobicContact CD-CD2 4.12Å; K497-L516 PolarHBondContact N-O 2.9Å; K497-L516 PolarHBondContact O-N 2.98Å; L516-L522 HydrophobicContact CB-CD1 4.03Å; L516-L522 HydrophobicContact CD1-CB 4.01Å; L516-L522 HydrophobicContact CD1-CD1 4.13Å; L516-L555 HydrophobicContact CD2-CD1 4.34Å; L516-L555 HydrophobicContact CD2-CD2 4.23Å |
| 517 | F | 91.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 134.2 | 168.6 | -56 | -66.1 | 0 | 0 | 0 | 110.2 | L417 I441 M462 M467 H471 A472 L486 M495 T496 I515 Q521 Y523 | L417-F517 HydrophobicContact CD1-CE2 4.34Å; I441-F517 HydrophobicContact CD1-CD2 4.23Å; I441-F517 HydrophobicContact CD1-CE1 4.24Å; I441-F517 HydrophobicContact CD1-CE2 3.46Å; I441-F517 VanDerWaalsContact CD1-CE2 3.46Å; I441-F517 HydrophobicContact CD1-CZ 3.45Å; I441-F517 VanDerWaalsContact CD1-CZ 3.45Å; I441-F517 HydrophobicContact CG2-CD2 4.38Å; I441-F517 HydrophobicContact CG2-CG 4.4Å; M462-F517 HydrophobicContact SD-CD2 4.47Å; M467-F517 HydrophobicContact CE-CB 3.7Å; M467-F517 HydrophobicContact SD-CB 4.35Å; H471-F517 AromaticContact CD2-CD1 3.6Å; H471-F517 AromaticContact NE2-CD1 3.98Å; A472-F517 HydrophobicContact CB-CD1 4.16Å; A472-F517 HydrophobicContact CB-CE1 3.66Å; L486-F517 HydrophobicContact CD1-CE1 3.97Å; L486-F517 HydrophobicContact CD1-CZ 4.15Å; M495-F517 CarbonylContact O-C 3.56Å; T496-F517 HydrophobicContact CG2-CD1 4.17Å; T496-F517 HydrophobicContact CG2-CE1 4.13Å; I515-F517 HydrophobicContact CB-CE2 4.35Å; I515-F517 HydrophobicContact CB-CZ 4.34Å; I515-F517 HydrophobicContact CG2-CD1 4.2Å; I515-F517 HydrophobicContact CG2-CD2 4.29Å; I515-F517 HydrophobicContact CG2-CE1 3.6Å; I515-F517 HydrophobicContact CG2-CE2 3.68Å; I515-F517 HydrophobicContact CG2-CZ 3.31Å; F517-Q521 HydrophobicContact CB-CB 4Å; F517-Q521 PolarHBondContact N-O 3.43Å; F517-Q521 VanDerWaalsContact O-CB 3.29Å; F517-Q521 WeakPolarHBondContact O-CB 3.42Å; F517-Q521 PolarHBondContact O-N 3.3Å; F517-Y523 HydrophobicContact CD2-CD2 4.04Å; F517-Y523 HydrophobicContact CD2-CE2 4.45Å; F517-Y523 HydrophobicContact CE2-CD2 4.29Å |
| 518 | G | 85.9 | Confident | 91.2 | Very high | 3 Ų | 3 | 21 Ų | 21 | 3% | 0.031 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | -138 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | H471 M495 | H471-G518 PolarHBondContact CE1-N 2.99Å; H471-G518 VanDerWaalsContact CE1-N 3.25Å; H471-G518 PolarHBondContact NE2-N 2.86Å; H471-G518 VanDerWaalsContact NE2-N 3.18Å; M495-G518 PolarHBondContact O-N 3.23Å |
| 519 | S | 76.8 | Confident | 91 | Very high | 18 Ų | 18 | 20.7 Ų | 20.7 | 13% | 0.126 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -23.1 | 177.3 | 59.7 | 0 | 0 | 0 | 0 | 114.1 | L465 | L465-S519 PolarHBondContact O-N 3.26Å; L465-S519 PolarHBondContact O-OG 3.36Å |
| 520 | Y | 74.7 | Confident | 90.6 | Very high | 17 Ų | 17 | 21.5 Ų | 21.5 | 7% | 0.067 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -143.1 | -14.1 | -165.4 | -73 | -60.5 | 0 | 0 | 0 | 117.4 | N189 L522 W548 P585 E589 | N189-Y520 VanDerWaalsContact ND2-CD1 3.31Å; N189-Y520 WeakPolarHBondContact ND2-CD1 3.39Å; Y520-L522 VanDerWaalsContact C-N 3.26Å; Y520-L522 PolarHBondContact O-N 3.39Å; Y520-W548 HydrophobicContact CD1-CH2 4.46Å; Y520-P585 HydrophobicContact CE1-CB 3.99Å; Y520-P585 PolarHBondContact OH-O 3.12Å; Y520-E589 HydrophobicContact CE2-CB 3.34Å; Y520-E589 HydrophobicContact CE2-CG 3.44Å; Y520-E589 VanDerWaalsContact CE2-CG 3.44Å; Y520-E589 VanDerWaalsContact CE2-OE1 3.26Å; Y520-E589 WeakPolarHBondContact CE2-OE1 3.38Å; Y520-E589 VanDerWaalsContact CZ-CB 3.4Å; Y520-E589 WeakPolarHBondContact OH-CB 3.48Å; Y520-E589 WeakPolarHBondContact OH-CG 3.26Å; Y520-E589 PolarHBondContact OH-OE2 3.05Å |
| 521 | Q | 86.1 | Confident | 90.2 | Very high | 20 Ų | 20 | 25.2 Ų | 25.2 | 9% | 0.093 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 83.7 | -174.2 | -68 | -67.9 | -10.1 | 0 | 0 | 108.6 | M188 K463 M467 F517 Y523 | M188-Q521 PolarHBondContact SD-OE1 2.83Å; K463-Q521 PolarHBondContact O-NE2 2.85Å; M467-Q521 HydrophobicContact CE-CB 3.88Å; M467-Q521 HydrophobicContact CE-CG 3.59Å; F517-Q521 HydrophobicContact CB-CB 4Å; F517-Q521 PolarHBondContact N-O 3.43Å; F517-Q521 VanDerWaalsContact O-CB 3.29Å; F517-Q521 WeakPolarHBondContact O-CB 3.42Å; F517-Q521 PolarHBondContact O-N 3.3Å; Q521-Y523 HydrophobicContact CB-CE2 4.06Å |
| 522 | L | 90.7 | Very high | 89.8 | Confident | 10 Ų | 10 | 28.8 Ų | 28.8 | 5% | 0.052 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 128.4 | -174.8 | -173.1 | 64.4 | 0 | 0 | 0 | 110.3 | N419 L420 R514 I515 L516 Y520 W548 A551 | N419-L522 WeakPolarHBondContact CA-O 3.29Å; L420-L522 HydrophobicContact CB-CB 4.45Å; L420-L522 HydrophobicContact CB-CD2 4.06Å; L420-L522 HydrophobicContact CB-CG 4.07Å; L420-L522 HydrophobicContact CD2-CD2 3.67Å; L420-L522 HydrophobicContact CD2-CG 4.28Å; L420-L522 HydrophobicContact CG-CD2 4.25Å; L420-L522 PolarHBondContact N-O 3.39Å; R514-L522 HydrophobicContact CB-CD1 4.33Å; I515-L522 CarbonylContact O-C 3.57Å; I515-L522 WeakPolarHBondContact O-CA 3.3Å; L516-L522 HydrophobicContact CB-CD1 4.03Å; L516-L522 HydrophobicContact CD1-CB 4.01Å; L516-L522 HydrophobicContact CD1-CD1 4.13Å; Y520-L522 VanDerWaalsContact C-N 3.26Å; Y520-L522 PolarHBondContact O-N 3.39Å; L522-W548 HydrophobicContact CB-CZ3 4.22Å; L522-W548 HydrophobicContact CD2-CE3 3.9Å; L522-W548 HydrophobicContact CD2-CZ3 3.87Å; L522-A551 HydrophobicContact CD2-CB 3.56Å |
| 523 | Y | 94.3 | Very high | 89.5 | Confident | 4 Ų | 4 | 28.3 Ų | 28.3 | 2% | 0.016 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 146 | -177.2 | -72.4 | -94.1 | 0 | 0 | 0 | 110.9 | L417 S418 N419 I430 H432 M462 R514 I515 F517 Q521 | L417-Y523 HydrophobicContact CB-CD1 3.78Å; L417-Y523 HydrophobicContact CB-CG 4.25Å; S418-Y523 CarbonylContact O-C 3.53Å; S418-Y523 VanDerWaalsContact O-CA 3.28Å; S418-Y523 WeakPolarHBondContact O-CA 3.29Å; N419-Y523 HydrophobicContact CB-CD1 4.04Å; N419-Y523 HydrophobicContact CB-CE1 3.73Å; I430-Y523 HydrophobicContact CG2-CE1 4.27Å; H432-Y523 AromaticContact CD2-CE1 3.44Å; H432-Y523 VanDerWaalsContact CD2-CE1 3.44Å; H432-Y523 WeakPolarHBondContact CD2-CE1 2.98Å; H432-Y523 AromaticContact CD2-CZ 3.88Å; H432-Y523 AromaticContact NE2-CE1 3.75Å; H432-Y523 AromaticContact NE2-CZ 3.82Å; H432-Y523 PolarHBondContact NE2-OH 3.1Å; M462-Y523 HydrophobicContact CE-CE1 4.38Å; M462-Y523 HydrophobicContact CE-CE2 3.79Å; M462-Y523 WeakPolarHBondContact CE-OH 3.39Å; M462-Y523 HydrophobicContact SD-CE2 3.82Å; R514-Y523 CarbonylContact C-O 3.54Å; R514-Y523 WeakPolarHBondContact CA-O 3.25Å; I515-Y523 PolarHBondContact N-O 3.44Å; I515-Y523 PolarHBondContact O-N 2.95Å; F517-Y523 HydrophobicContact CD2-CD2 4.04Å; F517-Y523 HydrophobicContact CD2-CE2 4.45Å; F517-Y523 HydrophobicContact CE2-CD2 4.29Å; Q521-Y523 HydrophobicContact CB-CE2 4.06Å |
| 524 | I | 94.4 | Very high | 88.9 | Confident | 14 Ų | 14 | 29.4 Ų | 29.4 | 7% | 0.072 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 129.9 | 167.7 | -56.6 | 172.3 | 0 | 0 | 0 | 107.7 | L417 S418 L420 H526 I546 | L417-I524 WeakPolarHBondContact CA-O 3.49Å; S418-I524 PolarHBondContact N-O 2.85Å; S418-I524 PolarHBondContact O-N 3Å; L420-I524 HydrophobicContact CD1-CD1 4.04Å; L420-I524 HydrophobicContact CD2-CD1 4.42Å; L420-I524 HydrophobicContact CD2-CG1 4.5Å; I524-H526 PolarHBondContact O-CD2 2.83Å; I524-I546 HydrophobicContact CD1-CB 3.95Å; I524-I546 HydrophobicContact CD1-CG2 3.63Å; I524-I546 HydrophobicContact CG1-CG2 4.11Å |
| 525 | F | 95.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 123.8 | 174.7 | 177.1 | -113.9 | 0 | 0 | 0 | 111.6 | P415 L417 L434 V484 L509 H510 K512 D513 I515 N527 | P415-F525 HydrophobicContact CB-CE2 3.61Å; P415-F525 HydrophobicContact CB-CZ 3.78Å; L417-F525 HydrophobicContact CD2-CB 3.87Å; L417-F525 HydrophobicContact CD2-CD2 3.77Å; L417-F525 HydrophobicContact CD2-CG 4.29Å; L434-F525 HydrophobicContact CD1-CE2 3.93Å; V484-F525 HydrophobicContact CB-CE1 4.46Å; V484-F525 HydrophobicContact CB-CE2 4.23Å; V484-F525 HydrophobicContact CB-CZ 3.69Å; V484-F525 HydrophobicContact CG1-CE2 4.26Å; V484-F525 HydrophobicContact CG1-CZ 4.22Å; V484-F525 HydrophobicContact CG2-CE2 4.13Å; V484-F525 HydrophobicContact CG2-CZ 3.58Å; L509-F525 HydrophobicContact CB-CD1 3.49Å; L509-F525 VanDerWaalsContact CB-CD1 3.49Å; L509-F525 HydrophobicContact CB-CE1 3.48Å; L509-F525 VanDerWaalsContact CB-CE1 3.48Å; L509-F525 HydrophobicContact CB-CG 4.19Å; L509-F525 HydrophobicContact CB-CZ 4.17Å; L509-F525 HydrophobicContact CD1-CD1 4.21Å; L509-F525 HydrophobicContact CD1-CD2 4.16Å; L509-F525 HydrophobicContact CD1-CE1 4.42Å; L509-F525 HydrophobicContact CD1-CE2 4.37Å; L509-F525 HydrophobicContact CD1-CG 4.08Å; L509-F525 HydrophobicContact CG-CD1 4.45Å; H510-F525 VanDerWaalsContact O-CD1 3.29Å; H510-F525 WeakPolarHBondContact O-CD1 3.3Å; K512-F525 WeakPolarHBondContact CA-O 3.3Å; K512-F525 PolarHBondContact N-O 2.78Å; D513-F525 HydrophobicContact CB-CB 4.4Å; D513-F525 PolarHBondContact O-N 3.26Å; I515-F525 HydrophobicContact CD1-CB 3.97Å; F525-N527 HydrophobicContact CE1-CB 3.84Å; F525-N527 HydrophobicContact CZ-CB 4Å |
| 526 | H | 93.2 | Very high | 87.4 | Confident | 31 Ų | 31 | 35.3 Ų | 35.3 | 14% | 0.144 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 128.1 | 178.9 | -64.2 | -83.7 | 0 | 0 | 0 | 109.7 | P415 Y416 S418 H511 I524 P528 | P415-H526 CarbonylContact C-O 3.52Å; P415-H526 VanDerWaalsContact CA-O 3.22Å; P415-H526 WeakPolarHBondContact CA-O 3.41Å; Y416-H526 HydrophobicContact CD1-CB 3.73Å; Y416-H526 HydrophobicContact CD2-CB 3.86Å; Y416-H526 AromaticContact CD2-CD2 3.82Å; Y416-H526 HydrophobicContact CE1-CB 3.33Å; Y416-H526 HydrophobicContact CE2-CB 3.49Å; Y416-H526 VanDerWaalsContact CE2-CB 3.49Å; Y416-H526 AromaticContact CE2-CD2 3.31Å; Y416-H526 WeakPolarHBondContact CE2-CD2 3.44Å; Y416-H526 AromaticContact CE2-CG 3.44Å; Y416-H526 VanDerWaalsContact CE2-CG 3.44Å; Y416-H526 HydrophobicContact CG-CB 3.98Å; Y416-H526 AromaticContact CZ-CD2 3.84Å; Y416-H526 AromaticContact CZ-CG 3.44Å; Y416-H526 VanDerWaalsContact CZ-CG 3.44Å; Y416-H526 PolarHBondContact N-O 2.95Å; Y416-H526 PolarHBondContact O-N 3.48Å; S418-H526 PolarHBondContact OG-CD2 3.18Å; S418-H526 PolarHBondContact OG-NE2 2.87Å; H511-H526 AromaticContact CE1-ND1 3.48Å; H511-H526 PolarHBondContact CE1-ND1 3.35Å; I524-H526 PolarHBondContact O-CD2 2.83Å; H526-P528 WeakPolarHBondContact O-CD 3.43Å |
| 527 | N | 93.5 | Very high | 86.6 | Confident | 10 Ų | 10 | 41 Ų | 41 | 5% | 0.053 | 21% | 0.21 | C | C | . | . | trans | -124.1 | 88.3 | 179.8 | -169.4 | -2.6 | 0 | 0 | 0 | 111.4 | A482 H511 F525 L529 S530 F533 | A482-N527 PolarHBondContact O-ND2 3.47Å; H511-N527 HydrophobicContact CB-CB 4.35Å; H511-N527 PolarHBondContact ND1-N 3.31Å; F525-N527 HydrophobicContact CE1-CB 3.84Å; F525-N527 HydrophobicContact CZ-CB 4Å; N527-L529 PolarHBondContact O-N 2.98Å; N527-L529 WeakPolarHBondContact OD1-CB 3.29Å; N527-L529 PolarHBondContact OD1-N 2.99Å; N527-L529 VanDerWaalsContact OD1-N 3.16Å; N527-S530 WeakPolarHBondContact O-CB 3.42Å; N527-S530 PolarHBondContact O-N 3.02Å; N527-S530 PolarHBondContact O-OG 3.04Å; N527-F533 WeakPolarHBondContact O-CB 3.46Å | ||
| 528 | P | 90.4 | Very high | 85.9 | Confident | 19 Ų | 19 | 48.9 Ų | 48.9 | 12% | 0.123 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -15.3 | 176.9 | -23.6 | 34.3 | 0 | 0 | 0 | 115 | T411 K414 Y416 H526 F533 | T411-P528 WeakPolarHBondContact O-CG 3.4Å; K414-P528 VanDerWaalsContact O-CD 3.31Å; K414-P528 WeakPolarHBondContact O-CD 3.45Å; K414-P528 WeakPolarHBondContact O-CG 2.89Å; Y416-P528 HydrophobicContact CD1-CG 4.17Å; Y416-P528 HydrophobicContact CE1-CG 3.88Å; H526-P528 WeakPolarHBondContact O-CD 3.43Å; P528-F533 HydrophobicContact CB-CD1 4.2Å; P528-F533 HydrophobicContact CB-CE1 4.01Å; P528-F533 HydrophobicContact CB-CZ 4.29Å; P528-F533 HydrophobicContact CG-CE1 4.49Å; P528-F533 HydrophobicContact CG-CE2 4.41Å; P528-F533 HydrophobicContact CG-CZ 4.28Å |
| 529 | L | 90.2 | Very high | 85.2 | Confident | 69 Ų | 69 | 51.9 Ų | 51.9 | 36% | 0.361 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -4.4 | 178.9 | -58.2 | 174.9 | 0 | 0 | 0 | 112.6 | P415 T480 A482 N527 | P415-L529 HydrophobicContact CG-CD1 4.46Å; T480-L529 WeakPolarHBondContact O-CD1 3.13Å; A482-L529 HydrophobicContact CB-CB 3.76Å; A482-L529 HydrophobicContact CB-CD1 4.14Å; N527-L529 PolarHBondContact O-N 2.98Å; N527-L529 WeakPolarHBondContact OD1-CB 3.29Å; N527-L529 PolarHBondContact OD1-N 2.99Å; N527-L529 VanDerWaalsContact OD1-N 3.16Å |
| 530 | S | 89 | Confident | 84.4 | Confident | 20 Ų | 20 | 54.8 Ų | 54.8 | 14% | 0.14 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -82.2 | 154 | 178.2 | 70.1 | 0 | 0 | 0 | 0 | 111.8 | N527 E532 F533 A534 | N527-S530 WeakPolarHBondContact O-CB 3.42Å; N527-S530 PolarHBondContact O-N 3.02Å; N527-S530 PolarHBondContact O-OG 3.04Å; S530-E532 VanDerWaalsContact C-N 3.31Å; S530-F533 WeakPolarHBondContact OG-CB 3.38Å; S530-F533 PolarHBondContact OG-N 3.29Å; S530-F533 VanDerWaalsContact OG-N 3.13Å; S530-A534 PolarHBondContact O-N 3.28Å |
| 531 | K | 86.1 | Confident | 83.5 | Confident | 175 Ų | 175 | 61 Ų | 61 | 76% | 0.761 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -63.4 | -40.6 | 170.5 | -69.8 | -176.5 | 178.1 | 179.8 | 0 | 111.3 | F533 A534 D535 | K531-F533 VanDerWaalsContact C-N 3.34Å; K531-F533 PolarHBondContact O-N 3.36Å; K531-A534 WeakPolarHBondContact O-CB 3.22Å; K531-A534 PolarHBondContact O-N 3.06Å; K531-D535 VanDerWaalsContact O-CG 3.3Å; K531-D535 PolarHBondContact O-N 2.88Å |
| 532 | E | 84.7 | Confident | 82 | Confident | 92 Ų | 92 | 67.4 Ų | 67.4 | 43% | 0.43 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -52 | -49.1 | 178.3 | -65.8 | 157.4 | -173.3 | 0 | 0 | 111.9 | H510 H511 S530 A534 D535 E536 | H510-E532 IonicContact CD2-OE1 2.81Å; H511-E532 HydrophobicContact CB-CB 3.98Å; H511-E532 VanDerWaalsContact CB-OE2 3.3Å; H511-E532 WeakPolarHBondContact CB-OE2 3.37Å; H511-E532 PolarHBondContact N-OE2 3.39Å; S530-E532 VanDerWaalsContact C-N 3.31Å; E532-A534 PolarHBondContact O-N 3.47Å; E532-D535 PolarHBondContact O-N 3.28Å; E532-E536 WeakPolarHBondContact O-CB 3.5Å; E532-E536 PolarHBondContact O-N 2.96Å |
| 533 | F | 84.4 | Confident | 80.5 | Confident | 35 Ų | 35 | 70.3 Ų | 70.3 | 15% | 0.154 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64 | -38.9 | 177.1 | -172.3 | -85.7 | 0 | 0 | 0 | 112.8 | H511 N527 P528 S530 K531 L537 | H511-F533 AromaticContact CE1-CD2 3.52Å; H511-F533 AromaticContact NE2-CD2 3.46Å; H511-F533 WeakPolarHBondContact NE2-CD2 3.36Å; N527-F533 WeakPolarHBondContact O-CB 3.46Å; P528-F533 HydrophobicContact CB-CD1 4.2Å; P528-F533 HydrophobicContact CB-CE1 4.01Å; P528-F533 HydrophobicContact CB-CZ 4.29Å; P528-F533 HydrophobicContact CG-CE1 4.49Å; P528-F533 HydrophobicContact CG-CE2 4.41Å; P528-F533 HydrophobicContact CG-CZ 4.28Å; S530-F533 WeakPolarHBondContact OG-CB 3.38Å; S530-F533 PolarHBondContact OG-N 3.29Å; S530-F533 VanDerWaalsContact OG-N 3.13Å; K531-F533 VanDerWaalsContact C-N 3.34Å; K531-F533 PolarHBondContact O-N 3.36Å; F533-L537 HydrophobicContact CD1-CD1 3.84Å; F533-L537 HydrophobicContact CD1-CG 4.44Å; F533-L537 HydrophobicContact CE1-CD1 3.52Å; F533-L537 HydrophobicContact CE1-CG 4.24Å; F533-L537 HydrophobicContact CZ-CD1 4.45Å; F533-L537 PolarHBondContact O-N 2.83Å |
| 534 | A | 83.1 | Confident | 79.1 | Confident | 38 Ų | 38 | 77 Ų | 77 | 31% | 0.314 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -70.9 | -35.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S530 K531 E532 K538 | S530-A534 PolarHBondContact O-N 3.28Å; K531-A534 WeakPolarHBondContact O-CB 3.22Å; K531-A534 PolarHBondContact O-N 3.06Å; E532-A534 PolarHBondContact O-N 3.47Å; A534-K538 WeakPolarHBondContact O-CG 3.4Å; A534-K538 PolarHBondContact O-N 3.42Å |
| 535 | D | 82.8 | Confident | 78 | Confident | 94 Ų | 94 | 81.6 Ų | 81.6 | 50% | 0.503 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -72.1 | -38 | 177.5 | -67.7 | -23.9 | 0 | 0 | 0 | 111 | K531 E532 K538 S539 | K531-D535 VanDerWaalsContact O-CG 3.3Å; K531-D535 PolarHBondContact O-N 2.88Å; E532-D535 PolarHBondContact O-N 3.28Å; D535-K538 PolarHBondContact O-N 2.84Å; D535-K538 VanDerWaalsContact O-N 3.14Å; D535-S539 WeakPolarHBondContact O-CB 3.42Å; D535-S539 PolarHBondContact O-N 2.83Å |
| 536 | E | 77.3 | Confident | 77.4 | Confident | 60 Ų | 60 | 83.1 Ų | 83.1 | 28% | 0.28 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.5 | -46.7 | 173.5 | -179.3 | 169.4 | 177.5 | 0 | 0 | 112.4 | H511 K512 E532 K538 S539 P543 | H511-E536 IonicContact CD2-OE2 2.65Å; H511-E536 IonicContact NE2-OE2 2.91Å; H511-E536 PolarHBondContact NE2-OE2 2.7Å; K512-E536 VanDerWaalsContact CE-OE1 3.29Å; K512-E536 WeakPolarHBondContact CE-OE1 3.43Å; K512-E536 WeakPolarHBondContact CE-OE2 3.2Å; K512-E536 IonicContact NZ-OE1 3.48Å; K512-E536 PolarHBondContact NZ-OE1 3.2Å; K512-E536 IonicContact NZ-OE2 2.78Å; K512-E536 PolarHBondContact NZ-OE2 2.84Å; E532-E536 WeakPolarHBondContact O-CB 3.5Å; E532-E536 PolarHBondContact O-N 2.96Å; E536-K538 PolarHBondContact O-N 3.31Å; E536-K538 VanDerWaalsContact O-N 3.17Å; E536-S539 PolarHBondContact O-N 2.87Å; E536-P543 VanDerWaalsContact OE1-CB 3.26Å; E536-P543 WeakPolarHBondContact OE1-CB 3.5Å; E536-P543 WeakPolarHBondContact OE1-CG 3.48Å |
| 537 | L | 73.4 | Confident | 77 | Confident | 133 Ų | 133 | 84.9 Ų | 84.9 | 70% | 0.696 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -59.9 | -26.4 | 175.3 | -77.5 | 172.7 | 0 | 0 | 0 | 113.4 | F533 | F533-L537 HydrophobicContact CD1-CD1 3.84Å; F533-L537 HydrophobicContact CD1-CG 4.44Å; F533-L537 HydrophobicContact CE1-CD1 3.52Å; F533-L537 HydrophobicContact CE1-CG 4.24Å; F533-L537 HydrophobicContact CZ-CD1 4.45Å; F533-L537 PolarHBondContact O-N 2.83Å |
| 538 | K | 77 | Confident | 76.5 | Confident | 164 Ų | 164 | 86 Ų | 86 | 71% | 0.713 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -90.1 | -26.4 | 179 | -69.9 | 171.7 | -173.7 | 170.5 | 0 | 113.3 | A534 D535 E536 G540 | A534-K538 WeakPolarHBondContact O-CG 3.4Å; A534-K538 PolarHBondContact O-N 3.42Å; D535-K538 PolarHBondContact O-N 2.84Å; D535-K538 VanDerWaalsContact O-N 3.14Å; E536-K538 PolarHBondContact O-N 3.31Å; E536-K538 VanDerWaalsContact O-N 3.17Å; K538-G540 PolarHBondContact O-N 2.87Å |
| 539 | S | 72 | Confident | 76 | Confident | 67 Ų | 67 | 89.9 Ų | 89.9 | 47% | 0.469 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.2 | -30.8 | -170.6 | 175.1 | 0 | 0 | 0 | 0 | 112.8 | D535 E536 M541 | D535-S539 WeakPolarHBondContact O-CB 3.42Å; D535-S539 PolarHBondContact O-N 2.83Å; E536-S539 PolarHBondContact O-N 2.87Å; S539-M541 PolarHBondContact O-N 2.91Å |
| 540 | G | 59.6 | Low | 75.8 | Confident | 78 Ų | 78 | 88.6 Ų | 88.6 | 80% | 0.804 | 47% | 0.468 | S | S | * | . | trans | 62.7 | -4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | K538 | K538-G540 PolarHBondContact O-N 2.87Š| ||
| 541 | M | 55.4 | Low | 75.7 | Confident | 149 Ų | 149 | 87.8 Ų | 87.8 | 73% | 0.734 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -77.7 | 147.7 | 169.7 | -64.7 | -172.5 | 178.5 | 0 | 0 | 109.5 | S539 P543 | S539-M541 PolarHBondContact O-N 2.91Å; M541-P543 WeakPolarHBondContact O-CD 3.13Å |
| 542 | E | 54.5 | Low | 75.6 | Confident | 154 Ų | 154 | 80.1 Ų | 80.1 | 72% | 0.72 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 125 | 171.1 | -75 | -171.6 | 155 | 0 | 0 | 109.4 | E544 | E542-E544 PolarHBondContact O-N 3.46Š|
| 543 | P | 58.6 | Low | 75.5 | Confident | 70 Ų | 70 | 79.9 Ų | 79.9 | 46% | 0.455 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 140.6 | 172.3 | -26.1 | 34.7 | 0 | 0 | 0 | 110.9 | E536 M541 T545 | E536-P543 VanDerWaalsContact OE1-CB 3.26Å; E536-P543 WeakPolarHBondContact OE1-CB 3.5Å; E536-P543 WeakPolarHBondContact OE1-CG 3.48Å; M541-P543 WeakPolarHBondContact O-CD 3.13Å; P543-T545 PolarHBondContact O-N 2.86Å |
| 544 | E | 65.8 | Low | 75.5 | Confident | 146 Ų | 146 | 79.6 Ų | 79.6 | 68% | 0.682 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -55.3 | 118.4 | 164.1 | -168.5 | 174.5 | -162.8 | 0 | 0 | 108.5 | E542 I546 | E542-E544 PolarHBondContact O-N 3.46Å; E544-I546 PolarHBondContact O-N 3.07Å |
| 545 | T | 70.8 | Confident | 75.5 | Confident | 110 Ų | 110 | 78.7 Ų | 78.7 | 68% | 0.675 | 41% | 0.414 | S | S | * | . | trans | -74.8 | 110.1 | -175.4 | 46.9 | 0 | 0 | 0 | 0 | 109.4 | P543 D547 | P543-T545 PolarHBondContact O-N 2.86Å; T545-D547 PolarHBondContact O-N 3.24Å | ||
| 546 | I | 83.9 | Confident | 75.2 | Confident | 31 Ų | 31 | 74.3 Ų | 74.3 | 16% | 0.159 | 39% | 0.391 | C | S | . | . | trans | -85.3 | 94.8 | 171.6 | -60.5 | 175.9 | 0 | 0 | 0 | 107.5 | L420 K512 R514 I524 E544 F550 | L420-I546 HydrophobicContact CD2-CG2 4.42Å; K512-I546 HydrophobicContact CB-CD1 3.6Å; K512-I546 HydrophobicContact CD-CD1 3.85Å; K512-I546 HydrophobicContact CG-CD1 3.91Å; R514-I546 HydrophobicContact CG-CG2 4.05Å; I524-I546 HydrophobicContact CD1-CB 3.95Å; I524-I546 HydrophobicContact CD1-CG2 3.63Å; I524-I546 HydrophobicContact CG1-CG2 4.11Å; E544-I546 PolarHBondContact O-N 3.07Å; I546-F550 HydrophobicContact CG1-CD1 4.5Å; I546-F550 HydrophobicContact CG2-CD1 3.97Å | ||
| 547 | D | 84.8 | Confident | 75.3 | Confident | 69 Ų | 69 | 75.3 Ų | 75.3 | 37% | 0.369 | 40% | 0.395 | S | S | . | . | trans | -100.9 | 176.5 | 173.5 | 64.1 | 19.2 | 0 | 0 | 0 | 111.8 | L420 T545 E549 F550 A551 | L420-D547 WeakPolarHBondContact CD2-O 3.4Å; T545-D547 PolarHBondContact O-N 3.24Å; D547-E549 VanDerWaalsContact C-N 3.26Å; D547-E549 PolarHBondContact O-N 3.27Å; D547-E549 PolarHBondContact OD1-N 3.38Å; D547-F550 WeakPolarHBondContact O-CB 3.28Å; D547-F550 PolarHBondContact O-N 2.77Å; D547-F550 WeakPolarHBondContact OD1-CB 3.31Å; D547-F550 PolarHBondContact OD1-N 2.93Å; D547-A551 PolarHBondContact O-N 3.36Å | ||
| 548 | W | 82 | Confident | 75.4 | Confident | 34 Ų | 34 | 71 Ų | 71 | 13% | 0.129 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -55 | -42.8 | 177.6 | 178 | -102.6 | 0 | 0 | 0 | 112.2 | L420 N421 E422 Y520 L522 F550 A551 Q552 | L420-W548 HydrophobicContact CG-CE3 4.49Å; N421-W548 WeakPolarHBondContact O-CB 3.34Å; E422-W548 HydrophobicContact CB-CD2 4.09Å; E422-W548 HydrophobicContact CB-CG 4.16Å; E422-W548 HydrophobicContact CB-CZ2 4.36Å; Y520-W548 HydrophobicContact CD1-CH2 4.46Å; L522-W548 HydrophobicContact CB-CZ3 4.22Å; L522-W548 HydrophobicContact CD2-CE3 3.9Å; L522-W548 HydrophobicContact CD2-CZ3 3.87Å; W548-F550 PolarHBondContact O-N 2.85Å; W548-A551 PolarHBondContact O-N 2.79Å; W548-Q552 HydrophobicContact CD2-CG 4.29Å; W548-Q552 VanDerWaalsContact CE2-NE2 3.29Å; W548-Q552 HydrophobicContact CG-CG 4.34Å; W548-Q552 HydrophobicContact CZ2-CG 4.37Å; W548-Q552 WeakPolarHBondContact O-CG 3.47Å; W548-Q552 PolarHBondContact O-N 2.82Å |
| 549 | E | 80.6 | Confident | 75.1 | Confident | 99 Ų | 99 | 64.9 Ų | 64.9 | 46% | 0.463 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.3 | -42 | -178.1 | -163.7 | -166.8 | 136.8 | 0 | 0 | 111.7 | D547 A551 Q552 R553 L581 | D547-E549 VanDerWaalsContact C-N 3.26Å; D547-E549 PolarHBondContact O-N 3.27Å; D547-E549 PolarHBondContact OD1-N 3.38Å; E549-A551 VanDerWaalsContact C-N 3.33Å; E549-A551 PolarHBondContact O-N 2.76Å; E549-Q552 PolarHBondContact O-N 3.41Å; E549-R553 WeakPolarHBondContact O-CG 3.31Å; E549-R553 PolarHBondContact O-N 3.4Å; E549-R553 IonicContact OE1-CZ 2.9Å; E549-R553 IonicContact OE1-NH1 3.47Å; E549-R553 PolarHBondContact OE1-NH1 2.98Å; E549-L581 HydrophobicContact CG-CD1 4.26Å |
| 550 | F | 85.9 | Confident | 74.9 | Confident | 42 Ų | 42 | 62.1 Ų | 62.1 | 18% | 0.184 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -54.2 | -51.2 | 173.2 | 177.3 | -82.3 | 0 | 0 | 0 | 111.1 | I546 D547 W548 Q552 R553 E554 | I546-F550 HydrophobicContact CG1-CD1 4.5Å; I546-F550 HydrophobicContact CG2-CD1 3.97Å; D547-F550 WeakPolarHBondContact O-CB 3.28Å; D547-F550 PolarHBondContact O-N 2.77Å; D547-F550 WeakPolarHBondContact OD1-CB 3.31Å; D547-F550 PolarHBondContact OD1-N 2.93Å; W548-F550 PolarHBondContact O-N 2.85Å; F550-Q552 VanDerWaalsContact C-N 3.33Å; F550-Q552 PolarHBondContact O-N 2.99Å; F550-R553 PolarHBondContact O-N 3.05Å; F550-E554 PolarHBondContact O-N 2.95Å |
| 551 | A | 87.1 | Confident | 75.3 | Confident | 4 Ų | 4 | 58.7 Ų | 58.7 | 3% | 0.033 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.1 | -33.1 | -178 | 0 | 0 | 0 | 0 | 0 | 112.6 | L420 R514 L522 D547 W548 E549 L555 | L420-A551 HydrophobicContact CD2-CB 3.73Å; R514-A551 HydrophobicContact CG-CB 4.15Å; L522-A551 HydrophobicContact CD2-CB 3.56Å; D547-A551 PolarHBondContact O-N 3.36Å; W548-A551 PolarHBondContact O-N 2.79Å; E549-A551 VanDerWaalsContact C-N 3.33Å; E549-A551 PolarHBondContact O-N 2.76Å; A551-L555 WeakPolarHBondContact O-CB 3.49Å; A551-L555 PolarHBondContact O-N 2.91Å |
| 552 | Q | 83.8 | Confident | 75.3 | Confident | 13 Ų | 13 | 55.5 Ų | 55.5 | 6% | 0.061 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.8 | -40.1 | 173.2 | -68 | -49.2 | -29.9 | 0 | 0 | 112.4 | W548 E549 F550 E554 L555 A556 L581 P585 | W548-Q552 HydrophobicContact CD2-CG 4.29Å; W548-Q552 VanDerWaalsContact CE2-NE2 3.29Å; W548-Q552 HydrophobicContact CG-CG 4.34Å; W548-Q552 HydrophobicContact CZ2-CG 4.37Å; W548-Q552 WeakPolarHBondContact O-CG 3.47Å; W548-Q552 PolarHBondContact O-N 2.82Å; E549-Q552 PolarHBondContact O-N 3.41Å; F550-Q552 VanDerWaalsContact C-N 3.33Å; F550-Q552 PolarHBondContact O-N 2.99Å; Q552-E554 VanDerWaalsContact C-N 3.33Å; Q552-E554 PolarHBondContact O-N 3.26Å; Q552-L555 PolarHBondContact O-N 3.07Å; Q552-A556 WeakPolarHBondContact O-CB 3.33Å; Q552-A556 PolarHBondContact O-N 3.27Å; Q552-L581 VanDerWaalsContact C-CD2 3.49Å; Q552-L581 HydrophobicContact CB-CD2 3.97Å; Q552-P585 HydrophobicContact CG-CG 4.39Å |
| 553 | R | 82.3 | Confident | 75.5 | Confident | 87 Ų | 87 | 50 Ų | 50 | 33% | 0.328 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.2 | -46.4 | 174.5 | -75.5 | -173.5 | -56.5 | -135.8 | 5.5 | 111.2 | E549 F550 A556 Q557 F564 L581 | E549-R553 WeakPolarHBondContact O-CG 3.31Å; E549-R553 PolarHBondContact O-N 3.4Å; E549-R553 IonicContact OE1-CZ 2.9Å; E549-R553 IonicContact OE1-NH1 3.47Å; E549-R553 PolarHBondContact OE1-NH1 2.98Å; F550-R553 PolarHBondContact O-N 3.05Å; R553-A556 PolarHBondContact O-N 3.24Å; R553-Q557 VanDerWaalsContact O-CG 3.27Å; R553-Q557 WeakPolarHBondContact O-CG 3.34Å; R553-Q557 PolarHBondContact O-N 3.26Å; R553-F564 HydrophobicContact CG-CD1 4.12Å; R553-L581 VanDerWaalsContact CA-CD2 3.45Å; R553-L581 HydrophobicContact CB-CD2 4.12Å; R553-L581 HydrophobicContact CG-CD1 3.54Å; R553-L581 HydrophobicContact CG-CD2 3.56Å; R553-L581 HydrophobicContact CG-CG 4.19Å |
| 554 | E | 85.7 | Confident | 75.5 | Confident | 30 Ų | 30 | 47.1 Ų | 47.1 | 14% | 0.14 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.2 | -48 | 175.4 | 168.4 | 168.2 | -108.2 | 0 | 0 | 112.6 | N499 R514 F550 Q552 A556 Q557 A558 | N499-E554 VanDerWaalsContact CA-OE2 3.26Å; N499-E554 WeakPolarHBondContact CA-OE2 3.36Å; N499-E554 WeakPolarHBondContact CB-OE1 3.29Å; N499-E554 WeakPolarHBondContact O-CG 2.95Å; R514-E554 IonicContact CZ-OE1 3.57Å; R514-E554 IonicContact CZ-OE2 2.78Å; R514-E554 IonicContact NE-OE1 3.2Å; R514-E554 IonicContact NE-OE2 2.95Å; R514-E554 PolarHBondContact NE-OE2 3.26Å; R514-E554 IonicContact NH2-OE1 2.77Å; R514-E554 PolarHBondContact NH2-OE1 3.38Å; R514-E554 IonicContact NH2-OE2 3.45Å; R514-E554 PolarHBondContact NH2-OE2 3Å; R514-E554 VanDerWaalsContact NH2-OE2 3.17Å; F550-E554 PolarHBondContact O-N 2.95Å; Q552-E554 VanDerWaalsContact C-N 3.33Å; Q552-E554 PolarHBondContact O-N 3.26Å; E554-A556 VanDerWaalsContact C-N 3.27Å; E554-A556 PolarHBondContact O-N 3.44Å; E554-Q557 WeakPolarHBondContact O-CB 3.4Å; E554-Q557 PolarHBondContact O-N 3.19Å; E554-A558 PolarHBondContact O-N 3.31Å |
| 555 | L | 81.9 | Confident | 75 | Confident | 18 Ų | 18 | 44 Ų | 44 | 9% | 0.094 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.4 | -42.2 | 178 | -177.4 | 63.5 | 0 | 0 | 0 | 111.1 | K497 L516 A551 Q552 A558 T559 | K497-L555 HydrophobicContact CD-CD1 3.6Å; L516-L555 HydrophobicContact CD2-CD1 4.34Å; L516-L555 HydrophobicContact CD2-CD2 4.23Å; A551-L555 WeakPolarHBondContact O-CB 3.49Å; A551-L555 PolarHBondContact O-N 2.91Å; Q552-L555 PolarHBondContact O-N 3.07Å; L555-A558 PolarHBondContact O-N 3.44Å; L555-T559 WeakPolarHBondContact O-CG2 3.48Å; L555-T559 PolarHBondContact O-N 2.63Å; L555-T559 PolarHBondContact O-OG1 3.47Å |
| 556 | A | 77.4 | Confident | 74.5 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 2% | 0.017 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.3 | -45.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q552 R553 E554 A558 T559 G560 Y561 F564 L581 L584 | Q552-A556 WeakPolarHBondContact O-CB 3.33Å; Q552-A556 PolarHBondContact O-N 3.27Å; R553-A556 PolarHBondContact O-N 3.24Å; E554-A556 VanDerWaalsContact C-N 3.27Å; E554-A556 PolarHBondContact O-N 3.44Å; A556-A558 PolarHBondContact O-N 3.48Å; A556-T559 WeakPolarHBondContact CA-OG1 3.46Å; A556-T559 PolarHBondContact O-N 2.65Å; A556-T559 PolarHBondContact O-OG1 3.39Å; A556-G560 PolarHBondContact O-N 3.23Å; A556-Y561 HydrophobicContact CB-CD2 4.28Å; A556-Y561 WeakPolarHBondContact O-CB 3.46Å; A556-Y561 WeakPolarHBondContact O-CD2 3.28Å; A556-Y561 PolarHBondContact O-N 3.37Å; A556-Y561 VanDerWaalsContact O-N 3.08Å; A556-F564 HydrophobicContact CB-CD2 3.55Å; A556-F564 HydrophobicContact CB-CE2 3.4Å; A556-F564 HydrophobicContact CB-CG 4.45Å; A556-F564 HydrophobicContact CB-CZ 4.16Å; A556-L581 HydrophobicContact CB-CD2 4.26Å; A556-L584 HydrophobicContact CB-CD1 3.62Å |
| 557 | Q | 78.5 | Confident | 73.5 | Confident | 81 Ų | 81 | 51.1 Ų | 51.1 | 38% | 0.379 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -56.7 | -49.4 | 174.7 | -72.1 | 172.2 | 3 | 0 | 0 | 111.6 | R553 E554 T559 G560 F564 | R553-Q557 VanDerWaalsContact O-CG 3.27Å; R553-Q557 WeakPolarHBondContact O-CG 3.34Å; R553-Q557 PolarHBondContact O-N 3.26Å; E554-Q557 WeakPolarHBondContact O-CB 3.4Å; E554-Q557 PolarHBondContact O-N 3.19Å; Q557-T559 PolarHBondContact O-N 3.26Å; Q557-G560 PolarHBondContact O-N 3.34Å; Q557-F564 HydrophobicContact CG-CB 3.49Å; Q557-F564 VanDerWaalsContact CG-CB 3.49Å; Q557-F564 VanDerWaalsContact NE2-C 3.32Å; Q557-F564 PolarHBondContact NE2-O 3.48Å |
| 558 | A | 75.6 | Confident | 72.5 | Confident | 42 Ų | 42 | 50.2 Ų | 50.2 | 35% | 0.347 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64 | -27.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | G500 V501 E554 L555 A556 G560 | G500-A558 WeakPolarHBondContact O-CB 3.41Å; V501-A558 HydrophobicContact CG2-CB 4.11Å; E554-A558 PolarHBondContact O-N 3.31Å; L555-A558 PolarHBondContact O-N 3.44Å; A556-A558 PolarHBondContact O-N 3.48Å; A558-G560 VanDerWaalsContact C-N 3.28Å |
| 559 | T | 71.7 | Confident | 71.8 | Confident | 37 Ų | 37 | 58.7 Ų | 58.7 | 23% | 0.227 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -3.4 | 174.3 | 61.9 | 0 | 0 | 0 | 0 | 114.1 | L555 A556 Q557 Y561 | L555-T559 WeakPolarHBondContact O-CG2 3.48Å; L555-T559 PolarHBondContact O-N 2.63Å; L555-T559 PolarHBondContact O-OG1 3.47Å; A556-T559 WeakPolarHBondContact CA-OG1 3.46Å; A556-T559 PolarHBondContact O-N 2.65Å; A556-T559 PolarHBondContact O-OG1 3.39Å; Q557-T559 PolarHBondContact O-N 3.26Å; T559-Y561 WeakPolarHBondContact OG1-CD2 3.35Å |
| 560 | G | 66.7 | Low | 71.5 | Confident | 9 Ų | 9 | 60.6 Ų | 60.6 | 9% | 0.093 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 110 | 7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | A556 Q557 A558 E562 R853 | A556-G560 PolarHBondContact O-N 3.23Å; Q557-G560 PolarHBondContact O-N 3.34Å; A558-G560 VanDerWaalsContact C-N 3.28Å; G560-E562 VanDerWaalsContact C-N 3.35Å; G560-E562 PolarHBondContact O-N 2.99Å; G560-E562 VanDerWaalsContact O-N 3.15Å; G560-R853 PolarHBondContact O-N 3.13Å |
| 561 | Y | 67.4 | Low | 70.9 | Confident | 5 Ų | 5 | 64.9 Ų | 64.9 | 2% | 0.02 | 31% | 0.313 | C | S | . | . | trans | -84.4 | 73.7 | 172.9 | -64.7 | -84 | 0 | 0 | 0 | 111 | A556 T559 Q563 F564 L580 L584 R853 | A556-Y561 HydrophobicContact CB-CD2 4.28Å; A556-Y561 WeakPolarHBondContact O-CB 3.46Å; A556-Y561 WeakPolarHBondContact O-CD2 3.28Å; A556-Y561 PolarHBondContact O-N 3.37Å; A556-Y561 VanDerWaalsContact O-N 3.08Å; T559-Y561 WeakPolarHBondContact OG1-CD2 3.35Å; Y561-Q563 PolarHBondContact O-N 2.87Å; Y561-F564 VanDerWaalsContact CB-CD2 3.48Å; Y561-F564 HydrophobicContact CG-CD2 4.49Å; Y561-F564 HydrophobicContact CG-CE2 4.1Å; Y561-F564 WeakPolarHBondContact O-CD2 3.44Å; Y561-F564 PolarHBondContact O-N 3.25Å; Y561-L580 HydrophobicContact CD1-CD1 4.1Å; Y561-L580 HydrophobicContact CE1-CD1 4.23Å; Y561-L580 HydrophobicContact CE1-CD2 4.03Å; Y561-L584 HydrophobicContact CD2-CD1 3.67Å; Y561-L584 HydrophobicContact CD2-CD2 4.4Å; Y561-L584 HydrophobicContact CE2-CD1 3.47Å; Y561-L584 VanDerWaalsContact CE2-CD1 3.47Å; Y561-L584 HydrophobicContact CE2-CD2 3.39Å; Y561-L584 HydrophobicContact CE2-CG 4.04Å; Y561-L584 HydrophobicContact CG-CD1 4.46Å; Y561-L584 WeakPolarHBondContact OH-CD2 3.46Å; Y561-R853 PolarHBondContact OH-NH1 3.5Å | ||
| 562 | E | 56.7 | Low | 70.2 | Confident | 83 Ų | 83 | 69.2 Ų | 69.2 | 39% | 0.388 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -58.2 | -18.9 | 179.7 | -74.2 | -176.8 | 175 | 0 | 0 | 114 | G560 F564 S565 S852 R854 | G560-E562 VanDerWaalsContact C-N 3.35Å; G560-E562 PolarHBondContact O-N 2.99Å; G560-E562 VanDerWaalsContact O-N 3.15Å; E562-F564 PolarHBondContact O-N 3.22Å; E562-F564 VanDerWaalsContact O-N 3.1Å; E562-S565 VanDerWaalsContact O-CB 3.3Å; E562-S565 WeakPolarHBondContact O-CB 3.42Å; E562-S565 PolarHBondContact O-N 3.49Å; E562-S565 PolarHBondContact O-OG 2.94Å; E562-S852 PolarHBondContact OE1-OG 3.41Å; E562-S852 PolarHBondContact OE2-OG 3.45Å; E562-R854 IonicContact OE2-CZ 2.63Å; E562-R854 IonicContact OE2-NE 3.32Å; E562-R854 PolarHBondContact OE2-NE 2.87Å; E562-R854 IonicContact OE2-NH2 3.45Å; E562-R854 PolarHBondContact OE2-NH2 3.38Å |
| 563 | Q | 58.3 | Low | 69.7 | Low | 37 Ų | 37 | 71.1 Ų | 71.1 | 17% | 0.173 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -58.4 | -21.3 | 177.3 | -69.1 | -177 | -9.4 | 0 | 0 | 113.1 | Y561 S565 Q577 Y855 | Y561-Q563 PolarHBondContact O-N 2.87Å; Q563-S565 VanDerWaalsContact C-N 3.27Å; Q563-S565 PolarHBondContact O-N 2.8Å; Q563-Q577 PolarHBondContact O-NE2 3.07Å; Q563-Y855 VanDerWaalsContact NE2-CZ 3.29Å |
| 564 | F | 58.8 | Low | 69.3 | Low | 11 Ų | 11 | 68.7 Ų | 68.7 | 5% | 0.048 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -78.2 | -3.4 | 174.9 | -68.6 | -70.1 | 0 | 0 | 0 | 114 | R553 A556 Q557 Y561 E562 N566 Q577 L580 L581 | R553-F564 HydrophobicContact CG-CD1 4.12Å; A556-F564 HydrophobicContact CB-CD2 3.55Å; A556-F564 HydrophobicContact CB-CE2 3.4Å; A556-F564 HydrophobicContact CB-CG 4.45Å; A556-F564 HydrophobicContact CB-CZ 4.16Å; Q557-F564 HydrophobicContact CG-CB 3.49Å; Q557-F564 VanDerWaalsContact CG-CB 3.49Å; Q557-F564 VanDerWaalsContact NE2-C 3.32Å; Q557-F564 PolarHBondContact NE2-O 3.48Å; Y561-F564 VanDerWaalsContact CB-CD2 3.48Å; Y561-F564 HydrophobicContact CG-CD2 4.49Å; Y561-F564 HydrophobicContact CG-CE2 4.1Å; Y561-F564 WeakPolarHBondContact O-CD2 3.44Å; Y561-F564 PolarHBondContact O-N 3.25Å; E562-F564 PolarHBondContact O-N 3.22Å; E562-F564 VanDerWaalsContact O-N 3.1Å; F564-N566 VanDerWaalsContact C-N 3.34Å; F564-Q577 HydrophobicContact CD1-CB 4.22Å; F564-Q577 HydrophobicContact CD1-CG 3.91Å; F564-Q577 HydrophobicContact CE1-CB 3.6Å; F564-Q577 HydrophobicContact CE1-CG 3.69Å; F564-Q577 HydrophobicContact CZ-CB 4.38Å; F564-Q577 HydrophobicContact CZ-CG 4.42Å; F564-L580 HydrophobicContact CE2-CB 4.39Å; F564-L580 HydrophobicContact CZ-CB 3.81Å; F564-L580 HydrophobicContact CZ-CD1 4.38Å; F564-L581 HydrophobicContact CD1-CD1 4.42Å; F564-L581 HydrophobicContact CD1-CD2 4.21Å; F564-L581 HydrophobicContact CD1-CG 4.38Å; F564-L581 HydrophobicContact CE1-CD1 3.75Å; F564-L581 HydrophobicContact CE1-CD2 3.62Å; F564-L581 HydrophobicContact CE1-CG 3.45Å; F564-L581 VanDerWaalsContact CE1-CG 3.45Å; F564-L581 HydrophobicContact CE2-CD2 4.47Å; F564-L581 HydrophobicContact CZ-CD1 4.5Å; F564-L581 HydrophobicContact CZ-CD2 3.77Å; F564-L581 HydrophobicContact CZ-CG 3.72Å |
| 565 | S | 56 | Low | 68.9 | Low | 79 Ų | 79 | 68.6 Ų | 68.6 | 55% | 0.552 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -69.1 | -29.7 | 179.8 | 58.5 | 0 | 0 | 0 | 0 | 113.6 | E562 Q563 | E562-S565 VanDerWaalsContact O-CB 3.3Å; E562-S565 WeakPolarHBondContact O-CB 3.42Å; E562-S565 PolarHBondContact O-N 3.49Å; E562-S565 PolarHBondContact O-OG 2.94Å; Q563-S565 VanDerWaalsContact C-N 3.27Å; Q563-S565 PolarHBondContact O-N 2.8Å |
| 566 | N | 59.4 | Low | 68.8 | Low | 99 Ų | 99 | 68.3 Ų | 68.3 | 53% | 0.529 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -118.4 | 146.9 | -177.2 | -73 | -46 | 0 | 0 | 0 | 110.7 | F564 | F564-N566 VanDerWaalsContact C-N 3.34Š|
| 567 | K | 63.3 | Low | 68.8 | Low | 192 Ų | 192 | 69.3 Ų | 69.3 | 84% | 0.835 | 34% | 0.343 | S | S | * | . | trans | -54.1 | 136.2 | 167.8 | -76.1 | -173.7 | 178.4 | -178.2 | 0 | 109.2 | R569 | K567-R569 PolarHBondContact O-N 3.06Š| ||
| 568 | P | 63.4 | Low | 68.8 | Low | 51 Ų | 51 | 70.7 Ų | 70.7 | 33% | 0.331 | 35% | 0.35 | S | S | . | . | trans | -58.6 | 129.9 | -179.6 | 23.5 | -31.6 | 0 | 0 | 0 | 109.4 | E573 A574 | P568-E573 HydrophobicContact CB-CB 3.93Å; P568-A574 HydrophobicContact CB-CB 3.72Å; P568-A574 HydrophobicContact CG-CB 3.58Å | ||
| 569 | R | 68.3 | Low | 69.2 | Low | 212 Ų | 212 | 70.3 Ų | 70.3 | 80% | 0.8 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -85.1 | -30 | -177.7 | -63.3 | 179.8 | -177.1 | 170.8 | 1.5 | 111.3 | K567 E573 | K567-R569 PolarHBondContact O-N 3.06Å; R569-E573 PolarHBondContact N-OE2 3.22Å |
| 570 | K | 73 | Confident | 69.7 | Low | 138 Ų | 138 | 68.6 Ų | 68.6 | 60% | 0.6 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -117.4 | 150.7 | 179.2 | -63.4 | 178.5 | -179.1 | 175.7 | 0 | 110.3 | E572 E573 A574 | K570-E572 PolarHBondContact O-N 2.97Å; K570-E573 HydrophobicContact CB-CG 4.28Å; K570-E573 PolarHBondContact N-OE2 2.63Å; K570-E573 WeakPolarHBondContact O-CB 3.26Å; K570-E573 PolarHBondContact O-N 2.76Å; K570-E573 VanDerWaalsContact O-N 3.12Å; K570-A574 PolarHBondContact O-N 3.07Å |
| 571 | K | 73.8 | Confident | 70.2 | Confident | 133 Ų | 133 | 69 Ų | 69 | 58% | 0.578 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -54.5 | -36.9 | 175.1 | -175.5 | 178.5 | 174.7 | -175.1 | 0 | 112.3 | D300 A574 I575 | D300-K571 IonicContact OD1-NZ 3.1Å; D300-K571 IonicContact OD2-NZ 3.58Å; D300-K571 PolarHBondContact OD2-NZ 2.76Å; K571-A574 WeakPolarHBondContact O-CB 3.03Å; K571-A574 PolarHBondContact O-N 3.06Å; K571-I575 HydrophobicContact CG-CD1 4.14Å; K571-I575 WeakPolarHBondContact O-CG1 3.29Å; K571-I575 PolarHBondContact O-N 3.4Å; K571-I575 VanDerWaalsContact O-N 3.07Å |
| 572 | E | 72.1 | Confident | 70.9 | Confident | 94 Ų | 94 | 72.6 Ų | 72.6 | 44% | 0.439 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -68.2 | -37.5 | 179.9 | -64.2 | 174.4 | 163.1 | 0 | 0 | 112.6 | K570 A574 I575 L576 R622 | K570-E572 PolarHBondContact O-N 2.97Å; E572-A574 VanDerWaalsContact C-N 3.33Å; E572-I575 PolarHBondContact O-N 3.18Å; E572-L576 WeakPolarHBondContact O-CB 3.36Å; E572-L576 PolarHBondContact O-N 3.03Å; E572-R622 IonicContact OE1-NE 2.97Å |
| 573 | E | 73.6 | Confident | 72.1 | Confident | 53 Ų | 53 | 68.7 Ų | 68.7 | 25% | 0.248 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.8 | -38.4 | 174.1 | -66.9 | 172 | 173.9 | 0 | 0 | 110.9 | P568 R569 K570 L576 Q577 | P568-E573 HydrophobicContact CB-CB 3.93Å; R569-E573 PolarHBondContact N-OE2 3.22Å; K570-E573 HydrophobicContact CB-CG 4.28Å; K570-E573 PolarHBondContact N-OE2 2.63Å; K570-E573 WeakPolarHBondContact O-CB 3.26Å; K570-E573 PolarHBondContact O-N 2.76Å; K570-E573 VanDerWaalsContact O-N 3.12Å; E573-L576 PolarHBondContact O-N 3.26Å; E573-Q577 WeakPolarHBondContact O-CB 3.45Å; E573-Q577 VanDerWaalsContact O-CG 3.3Å; E573-Q577 WeakPolarHBondContact O-CG 3.33Å; E573-Q577 PolarHBondContact O-N 3.5Å |
| 574 | A | 73.8 | Confident | 73.3 | Confident | 37 Ų | 37 | 67.8 Ų | 67.8 | 31% | 0.306 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64 | -45.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | P568 K570 K571 E572 L576 Q577 Q578 | P568-A574 HydrophobicContact CB-CB 3.72Å; P568-A574 HydrophobicContact CG-CB 3.58Å; K570-A574 PolarHBondContact O-N 3.07Å; K571-A574 WeakPolarHBondContact O-CB 3.03Å; K571-A574 PolarHBondContact O-N 3.06Å; E572-A574 VanDerWaalsContact C-N 3.33Å; A574-L576 VanDerWaalsContact C-N 3.34Å; A574-L576 PolarHBondContact O-N 2.97Å; A574-Q577 PolarHBondContact O-N 3.45Å; A574-Q578 WeakPolarHBondContact O-CB 3.23Å; A574-Q578 PolarHBondContact O-N 3.19Å |
| 575 | I | 78.4 | Confident | 74.1 | Confident | 27 Ų | 27 | 67.8 Ų | 67.8 | 14% | 0.138 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 176.4 | -66.2 | 165.3 | 0 | 0 | 0 | 110.4 | K571 E572 Q578 Q579 | K571-I575 HydrophobicContact CG-CD1 4.14Å; K571-I575 WeakPolarHBondContact O-CG1 3.29Å; K571-I575 PolarHBondContact O-N 3.4Å; K571-I575 VanDerWaalsContact O-N 3.07Å; E572-I575 PolarHBondContact O-N 3.18Å; I575-Q578 PolarHBondContact O-N 2.94Å; I575-Q579 WeakPolarHBondContact O-CG 3.37Å; I575-Q579 PolarHBondContact O-N 2.83Å |
| 576 | L | 79 | Confident | 75.4 | Confident | 12 Ų | 12 | 64.7 Ų | 64.7 | 6% | 0.063 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.4 | -46.8 | 177.8 | -178.3 | 65.1 | 0 | 0 | 0 | 111.6 | E572 E573 A574 Q579 L580 L607 T623 V625 | E572-L576 WeakPolarHBondContact O-CB 3.36Å; E572-L576 PolarHBondContact O-N 3.03Å; E573-L576 PolarHBondContact O-N 3.26Å; A574-L576 VanDerWaalsContact C-N 3.34Å; A574-L576 PolarHBondContact O-N 2.97Å; L576-Q579 PolarHBondContact O-N 3.39Å; L576-L580 HydrophobicContact CG-CD1 4.3Å; L576-L580 WeakPolarHBondContact O-CB 3.44Å; L576-L580 WeakPolarHBondContact O-CG 3.48Å; L576-L580 PolarHBondContact O-N 3.49Å; L576-L607 HydrophobicContact CD1-CD2 3.84Å; L576-T623 HydrophobicContact CD1-CG2 4.27Å; L576-V625 HydrophobicContact CD1-CG2 3.4Å; L576-V625 VanDerWaalsContact CD1-CG2 3.4Å |
| 577 | Q | 77 | Confident | 76.8 | Confident | 23 Ų | 23 | 60.2 Ų | 60.2 | 11% | 0.107 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58 | -47.6 | 175.8 | -81.2 | -179.7 | -9.6 | 0 | 0 | 111.3 | Q563 F564 E573 A574 Q579 L580 L581 | Q563-Q577 PolarHBondContact O-NE2 3.07Å; F564-Q577 HydrophobicContact CD1-CB 4.22Å; F564-Q577 HydrophobicContact CD1-CG 3.91Å; F564-Q577 HydrophobicContact CE1-CB 3.6Å; F564-Q577 HydrophobicContact CE1-CG 3.69Å; F564-Q577 HydrophobicContact CZ-CB 4.38Å; F564-Q577 HydrophobicContact CZ-CG 4.42Å; E573-Q577 WeakPolarHBondContact O-CB 3.45Å; E573-Q577 VanDerWaalsContact O-CG 3.3Å; E573-Q577 WeakPolarHBondContact O-CG 3.33Å; E573-Q577 PolarHBondContact O-N 3.5Å; A574-Q577 PolarHBondContact O-N 3.45Å; Q577-Q579 PolarHBondContact O-N 3.32Å; Q577-L580 PolarHBondContact O-N 3.27Å; Q577-L581 VanDerWaalsContact O-CG 3.28Å; Q577-L581 WeakPolarHBondContact O-CG 3.11Å; Q577-L581 PolarHBondContact O-N 2.9Å |
| 578 | Q | 78.3 | Confident | 77.7 | Confident | 111 Ų | 111 | 54.1 Ų | 54.1 | 52% | 0.519 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.1 | -47.3 | 178.7 | -173.5 | 177.8 | 8.2 | 0 | 0 | 111.9 | A574 I575 L580 L581 E582 | A574-Q578 WeakPolarHBondContact O-CB 3.23Å; A574-Q578 PolarHBondContact O-N 3.19Å; I575-Q578 PolarHBondContact O-N 2.94Å; Q578-L580 VanDerWaalsContact C-N 3.3Å; Q578-L580 PolarHBondContact O-N 3.2Å; Q578-L581 PolarHBondContact O-N 3.17Å; Q578-E582 PolarHBondContact O-N 3.14Å |
| 579 | Q | 83.5 | Confident | 78.6 | Confident | 34 Ų | 34 | 51.8 Ų | 51.8 | 16% | 0.159 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.2 | -36.8 | 178 | -72.6 | 178.5 | 0.4 | 0 | 0 | 112.5 | I575 L576 Q577 L583 V625 | I575-Q579 WeakPolarHBondContact O-CG 3.37Å; I575-Q579 PolarHBondContact O-N 2.83Å; L576-Q579 PolarHBondContact O-N 3.39Å; Q577-Q579 PolarHBondContact O-N 3.32Å; Q579-L583 WeakPolarHBondContact O-CB 3.48Å; Q579-L583 PolarHBondContact O-N 3.21Å; Q579-V625 HydrophobicContact CB-CG2 3.94Å |
| 580 | L | 82.8 | Confident | 79.5 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68 | -44 | 175.6 | -77.2 | 174.4 | 0 | 0 | 0 | 112.1 | Y561 F564 L576 Q577 Q578 E582 L583 L584 V605 L607 V625 | Y561-L580 HydrophobicContact CD1-CD1 4.1Å; Y561-L580 HydrophobicContact CE1-CD1 4.23Å; Y561-L580 HydrophobicContact CE1-CD2 4.03Å; F564-L580 HydrophobicContact CE2-CB 4.39Å; F564-L580 HydrophobicContact CZ-CB 3.81Å; F564-L580 HydrophobicContact CZ-CD1 4.38Å; L576-L580 HydrophobicContact CG-CD1 4.3Å; L576-L580 WeakPolarHBondContact O-CB 3.44Å; L576-L580 WeakPolarHBondContact O-CG 3.48Å; L576-L580 PolarHBondContact O-N 3.49Å; Q577-L580 PolarHBondContact O-N 3.27Å; Q578-L580 VanDerWaalsContact C-N 3.3Å; Q578-L580 PolarHBondContact O-N 3.2Å; L580-E582 VanDerWaalsContact C-N 3.27Å; L580-E582 PolarHBondContact O-N 3.28Å; L580-L583 PolarHBondContact O-N 2.89Å; L580-L584 WeakPolarHBondContact O-CB 3.46Å; L580-L584 WeakPolarHBondContact O-CG 3.2Å; L580-L584 PolarHBondContact O-N 3.42Å; L580-V605 HydrophobicContact CD2-CG1 3.6Å; L580-L607 HydrophobicContact CD1-CD2 4.35Å; L580-L607 HydrophobicContact CD2-CD2 3.93Å; L580-L607 HydrophobicContact CG-CD2 4.4Å; L580-V625 HydrophobicContact CD2-CG1 4.04Å; L580-V625 HydrophobicContact CD2-CG2 4.43Å; L580-V625 HydrophobicContact CG-CG2 4.41Å |
| 581 | L | 78.2 | Confident | 80.3 | Confident | 19 Ų | 19 | 36.3 Ų | 36.3 | 10% | 0.099 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.5 | -37.4 | 178.2 | -69.8 | 168.6 | 0 | 0 | 0 | 112.3 | E549 Q552 R553 A556 F564 Q577 Q578 P585 | E549-L581 HydrophobicContact CG-CD1 4.26Å; Q552-L581 VanDerWaalsContact C-CD2 3.49Å; Q552-L581 HydrophobicContact CB-CD2 3.97Å; R553-L581 VanDerWaalsContact CA-CD2 3.45Å; R553-L581 HydrophobicContact CB-CD2 4.12Å; R553-L581 HydrophobicContact CG-CD1 3.54Å; R553-L581 HydrophobicContact CG-CD2 3.56Å; R553-L581 HydrophobicContact CG-CG 4.19Å; A556-L581 HydrophobicContact CB-CD2 4.26Å; F564-L581 HydrophobicContact CD1-CD1 4.42Å; F564-L581 HydrophobicContact CD1-CD2 4.21Å; F564-L581 HydrophobicContact CD1-CG 4.38Å; F564-L581 HydrophobicContact CE1-CD1 3.75Å; F564-L581 HydrophobicContact CE1-CD2 3.62Å; F564-L581 HydrophobicContact CE1-CG 3.45Å; F564-L581 VanDerWaalsContact CE1-CG 3.45Å; F564-L581 HydrophobicContact CE2-CD2 4.47Å; F564-L581 HydrophobicContact CZ-CD1 4.5Å; F564-L581 HydrophobicContact CZ-CD2 3.77Å; F564-L581 HydrophobicContact CZ-CG 3.72Å; Q577-L581 VanDerWaalsContact O-CG 3.28Å; Q577-L581 WeakPolarHBondContact O-CG 3.11Å; Q577-L581 PolarHBondContact O-N 2.9Å; Q578-L581 PolarHBondContact O-N 3.17Å; L581-P585 WeakPolarHBondContact O-CD 3.19Å |
| 582 | E | 80.4 | Confident | 80.8 | Confident | 80 Ų | 80 | 30.1 Ų | 30.1 | 37% | 0.374 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -68.6 | -45 | 175.4 | -174.3 | -176.4 | -169.9 | 0 | 0 | 111.6 | Q578 L580 P585 M586 M646 | Q578-E582 PolarHBondContact O-N 3.14Å; L580-E582 VanDerWaalsContact C-N 3.27Å; L580-E582 PolarHBondContact O-N 3.28Å; E582-P585 WeakPolarHBondContact O-CD 3.02Å; E582-M586 HydrophobicContact CG-CE 3.86Å; E582-M586 WeakPolarHBondContact O-CG 3.3Å; E582-M646 HydrophobicContact CG-CE 4.17Å; E582-M646 WeakPolarHBondContact OE1-CE 3.34Å |
| 583 | L | 83.7 | Confident | 81.5 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -82.9 | -30.8 | -168.8 | -165.3 | 66.4 | 0 | 0 | 0 | 114.3 | Q579 L580 M586 V587 V605 V625 V627 R642 F645 M646 | Q579-L583 WeakPolarHBondContact O-CB 3.48Å; Q579-L583 PolarHBondContact O-N 3.21Å; L580-L583 PolarHBondContact O-N 2.89Å; L583-M586 WeakPolarHBondContact O-CB 3.3Å; L583-M586 PolarHBondContact O-N 3.42Å; L583-V587 HydrophobicContact CG-CG2 4.26Å; L583-V587 PolarHBondContact O-N 3.16Å; L583-V605 HydrophobicContact CB-CG2 4.47Å; L583-V605 HydrophobicContact CD2-CG1 4.03Å; L583-V605 HydrophobicContact CD2-CG2 3.86Å; L583-V605 HydrophobicContact CG-CG2 3.96Å; L583-V625 HydrophobicContact CD2-CG1 3.4Å; L583-V625 VanDerWaalsContact CD2-CG1 3.4Å; L583-V627 HydrophobicContact CD1-CG2 3.92Å; L583-V627 HydrophobicContact CD2-CG2 3.64Å; L583-V627 HydrophobicContact CG-CG2 4Å; L583-R642 HydrophobicContact CD1-CG 4.3Å; L583-F645 HydrophobicContact CD1-CD1 3.38Å; L583-F645 HydrophobicContact CD1-CE1 3.63Å; L583-F645 HydrophobicContact CD1-CG 4.4Å; L583-M646 HydrophobicContact CD1-SD 4.33Å |
| 584 | L | 83.1 | Confident | 82.3 | Confident | 19 Ų | 19 | 23.1 Ų | 23.1 | 10% | 0.099 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.8 | -47.3 | -175.9 | -77 | 169.3 | 0 | 0 | 0 | 114.2 | A556 Y561 L580 M586 V587 N588 V605 | A556-L584 HydrophobicContact CB-CD1 3.62Å; Y561-L584 HydrophobicContact CD2-CD1 3.67Å; Y561-L584 HydrophobicContact CD2-CD2 4.4Å; Y561-L584 HydrophobicContact CE2-CD1 3.47Å; Y561-L584 VanDerWaalsContact CE2-CD1 3.47Å; Y561-L584 HydrophobicContact CE2-CD2 3.39Å; Y561-L584 HydrophobicContact CE2-CG 4.04Å; Y561-L584 HydrophobicContact CG-CD1 4.46Å; Y561-L584 WeakPolarHBondContact OH-CD2 3.46Å; L580-L584 WeakPolarHBondContact O-CB 3.46Å; L580-L584 WeakPolarHBondContact O-CG 3.2Å; L580-L584 PolarHBondContact O-N 3.42Å; L584-M586 PolarHBondContact O-N 3.35Å; L584-V587 PolarHBondContact O-N 2.9Å; L584-N588 PolarHBondContact O-N 3Å; L584-N588 PolarHBondContact O-ND2 3.24Å; L584-V605 HydrophobicContact CD2-CB 4.39Å; L584-V605 HydrophobicContact CD2-CG2 3.98Å |
| 585 | P | 75.8 | Confident | 82.9 | Confident | 10 Ų | 10 | 27 Ų | 27 | 7% | 0.065 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62 | -38.2 | 177.3 | -23.7 | 37.4 | 0 | 0 | 0 | 111.4 | Y520 Q552 L581 E582 N588 E589 | Y520-P585 HydrophobicContact CE1-CB 3.99Å; Y520-P585 PolarHBondContact OH-O 3.12Å; Q552-P585 HydrophobicContact CG-CG 4.39Å; L581-P585 WeakPolarHBondContact O-CD 3.19Å; E582-P585 WeakPolarHBondContact O-CD 3.02Å; P585-N588 PolarHBondContact O-N 2.8Å; P585-E589 PolarHBondContact O-N 2.93Å |
| 586 | M | 82.9 | Confident | 83.2 | Confident | 14 Ų | 14 | 29.3 Ų | 29.3 | 7% | 0.069 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.8 | -41.5 | -178.6 | -63 | -169.3 | -172.7 | 0 | 0 | 112.5 | E582 L583 L584 N588 E589 V590 F645 M646 R649 | E582-M586 HydrophobicContact CG-CE 3.86Å; E582-M586 WeakPolarHBondContact O-CG 3.3Å; L583-M586 WeakPolarHBondContact O-CB 3.3Å; L583-M586 PolarHBondContact O-N 3.42Å; L584-M586 PolarHBondContact O-N 3.35Å; M586-N588 VanDerWaalsContact C-N 3.34Å; M586-E589 PolarHBondContact O-N 3.2Å; M586-V590 WeakPolarHBondContact O-CG2 3.31Å; M586-V590 PolarHBondContact O-N 3Å; M586-F645 HydrophobicContact CB-CE1 3.82Å; M586-F645 HydrophobicContact CB-CZ 4.36Å; M586-M646 HydrophobicContact CE-CE 3.65Å; M586-M646 HydrophobicContact CE-SD 4.19Å; M586-M646 HydrophobicContact SD-CE 3.54Å; M586-M646 VanDerWaalsContact SD-CE 3.54Å; M586-M646 HydrophobicContact SD-SD 3.22Å; M586-R649 PolarHBondContact SD-NH1 3.38Å |
| 587 | V | 88 | Confident | 83.6 | Confident | 6 Ų | 6 | 30.2 Ų | 30.2 | 4% | 0.036 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.6 | -39.5 | 174.3 | 166.6 | 0 | 0 | 0 | 0 | 111.5 | L583 L584 E589 V590 N591 F603 V605 V627 F645 | L583-V587 HydrophobicContact CG-CG2 4.26Å; L583-V587 PolarHBondContact O-N 3.16Å; L584-V587 PolarHBondContact O-N 2.9Å; V587-E589 VanDerWaalsContact C-N 3.33Å; V587-E589 PolarHBondContact O-N 2.78Å; V587-V590 PolarHBondContact O-N 2.85Å; V587-N591 WeakPolarHBondContact O-CB 3.1Å; V587-N591 VanDerWaalsContact O-CG 3.29Å; V587-N591 PolarHBondContact O-N 2.79Å; V587-N591 PolarHBondContact O-ND2 2.89Å; V587-F603 HydrophobicContact CG1-CB 3.97Å; V587-F603 WeakPolarHBondContact CG1-O 3.19Å; V587-V605 HydrophobicContact CB-CG2 4.19Å; V587-V605 HydrophobicContact CG2-CG2 3.66Å; V587-V627 HydrophobicContact CG2-CG1 4.1Å; V587-V627 HydrophobicContact CG2-CG2 4.04Å; V587-F645 HydrophobicContact CB-CZ 4.32Å; V587-F645 HydrophobicContact CG2-CE1 3.88Å; V587-F645 HydrophobicContact CG2-CE2 4.07Å; V587-F645 HydrophobicContact CG2-CZ 3.53Å |
| 588 | N | 82.7 | Confident | 84.2 | Confident | 63 Ų | 63 | 34.6 Ų | 34.6 | 34% | 0.337 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -63.4 | -39.5 | 176.3 | -69.6 | -31.6 | 0 | 0 | 0 | 112.2 | L584 P585 M586 A592 | L584-N588 PolarHBondContact O-N 3Å; L584-N588 PolarHBondContact O-ND2 3.24Å; P585-N588 PolarHBondContact O-N 2.8Å; M586-N588 VanDerWaalsContact C-N 3.34Å; N588-A592 PolarHBondContact O-N 3.04Å |
| 589 | E | 81.4 | Confident | 84.7 | Confident | 3 Ų | 3 | 31.8 Ų | 31.8 | 1% | 0.014 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.5 | -49.2 | 174.8 | 174.2 | -178 | -127.5 | 0 | 0 | 113.5 | L465 Y520 P585 M586 V587 N591 A592 I593 R649 Q653 | L465-E589 HydrophobicContact CD1-CG 3.6Å; Y520-E589 HydrophobicContact CE2-CB 3.34Å; Y520-E589 HydrophobicContact CE2-CG 3.44Å; Y520-E589 VanDerWaalsContact CE2-CG 3.44Å; Y520-E589 VanDerWaalsContact CE2-OE1 3.26Å; Y520-E589 WeakPolarHBondContact CE2-OE1 3.38Å; Y520-E589 VanDerWaalsContact CZ-CB 3.4Å; Y520-E589 WeakPolarHBondContact OH-CB 3.48Å; Y520-E589 WeakPolarHBondContact OH-CG 3.26Å; Y520-E589 PolarHBondContact OH-OE2 3.05Å; P585-E589 PolarHBondContact O-N 2.93Å; M586-E589 PolarHBondContact O-N 3.2Å; V587-E589 VanDerWaalsContact C-N 3.33Å; V587-E589 PolarHBondContact O-N 2.78Å; E589-N591 PolarHBondContact O-N 3.09Å; E589-A592 CarbonylContact O-C 3.37Å; E589-A592 WeakPolarHBondContact O-CA 3.17Å; E589-A592 VanDerWaalsContact O-CB 3.3Å; E589-A592 WeakPolarHBondContact O-CB 3.24Å; E589-A592 PolarHBondContact O-N 3.35Å; E589-I593 HydrophobicContact CG-CD1 3.85Å; E589-I593 HydrophobicContact CG-CG1 4.36Å; E589-I593 WeakPolarHBondContact O-CG1 3.37Å; E589-I593 PolarHBondContact O-N 3.13Å; E589-R649 IonicContact OE1-NH2 3.99Å; E589-R649 IonicContact OE2-CZ 2.9Å; E589-R649 IonicContact OE2-NE 3.56Å; E589-R649 PolarHBondContact OE2-NE 3.35Å; E589-R649 IonicContact OE2-NH2 3.96Å; E589-R649 PolarHBondContact OE2-NH2 2.85Å; E589-Q653 VanDerWaalsContact CD-NE2 3.26Å; E589-Q653 PolarHBondContact OE1-NE2 3.32Å; E589-Q653 PolarHBondContact OE2-NE2 3.3Å |
| 590 | V | 88.9 | Confident | 85 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.7 | -37 | -179 | 166.5 | 0 | 0 | 0 | 0 | 110.4 | M586 V587 I593 A594 F603 F645 R649 M652 F674 | M586-V590 WeakPolarHBondContact O-CG2 3.31Å; M586-V590 PolarHBondContact O-N 3Å; V587-V590 PolarHBondContact O-N 2.85Å; V590-I593 PolarHBondContact O-N 2.97Å; V590-A594 WeakPolarHBondContact O-CB 3.27Å; V590-A594 PolarHBondContact O-N 2.89Å; V590-F603 HydrophobicContact CB-CD2 4.49Å; V590-F603 HydrophobicContact CG1-CD1 4.08Å; V590-F603 HydrophobicContact CG1-CD2 3.42Å; V590-F603 VanDerWaalsContact CG1-CD2 3.42Å; V590-F603 HydrophobicContact CG1-CE1 3.99Å; V590-F603 HydrophobicContact CG1-CE2 3.34Å; V590-F603 HydrophobicContact CG1-CG 3.79Å; V590-F603 HydrophobicContact CG1-CZ 3.62Å; V590-F645 HydrophobicContact CB-CE2 4.17Å; V590-F645 HydrophobicContact CB-CZ 4.13Å; V590-F645 HydrophobicContact CG1-CE2 4.18Å; V590-F645 HydrophobicContact CG2-CE2 4.04Å; V590-F645 HydrophobicContact CG2-CZ 3.8Å; V590-R649 HydrophobicContact CG2-CB 3.74Å; V590-R649 HydrophobicContact CG2-CG 3.67Å; V590-M652 HydrophobicContact CB-SD 4.22Å; V590-M652 HydrophobicContact CG1-CE 4.3Å; V590-M652 HydrophobicContact CG1-SD 3.26Å; V590-M652 WeakPolarHBondContact CG1-SD 3.43Å; V590-M652 HydrophobicContact CG2-SD 3.95Å; V590-F674 HydrophobicContact CG1-CE1 4.39Å |
| 591 | N | 89.4 | Confident | 85.4 | Confident | 24 Ų | 24 | 36 Ų | 36 | 13% | 0.128 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.9 | -46.5 | 169.8 | -77.9 | -37.5 | 0 | 0 | 0 | 112.2 | V587 E589 I593 A594 D595 K602 F603 | V587-N591 WeakPolarHBondContact O-CB 3.1Å; V587-N591 VanDerWaalsContact O-CG 3.29Å; V587-N591 PolarHBondContact O-N 2.79Å; V587-N591 PolarHBondContact O-ND2 2.89Å; E589-N591 PolarHBondContact O-N 3.09Å; N591-I593 VanDerWaalsContact C-N 3.33Å; N591-I593 PolarHBondContact O-N 2.92Å; N591-A594 PolarHBondContact O-N 2.81Å; N591-D595 WeakPolarHBondContact O-CB 3.22Å; N591-D595 PolarHBondContact O-N 2.78Å; N591-K602 WeakPolarHBondContact OD1-CA 3.47Å; N591-F603 PolarHBondContact ND2-O 2.77Å; N591-F603 PolarHBondContact OD1-N 3.32Å |
| 592 | A | 83.7 | Confident | 86.1 | Confident | 4 Ų | 4 | 38.8 Ų | 38.8 | 3% | 0.033 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60 | -42.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L465 C466 N588 E589 D595 E596 | L465-A592 HydrophobicContact CB-CB 4Å; L465-A592 HydrophobicContact CD2-CB 4.06Å; C466-A592 WeakPolarHBondContact SG-CB 3.49Å; N588-A592 PolarHBondContact O-N 3.04Å; E589-A592 CarbonylContact O-C 3.37Å; E589-A592 WeakPolarHBondContact O-CA 3.17Å; E589-A592 VanDerWaalsContact O-CB 3.3Å; E589-A592 WeakPolarHBondContact O-CB 3.24Å; E589-A592 PolarHBondContact O-N 3.35Å; A592-D595 PolarHBondContact O-N 3.39Å; A592-E596 WeakPolarHBondContact O-CB 3.48Å; A592-E596 PolarHBondContact O-N 3.36Å |
| 593 | I | 86.8 | Confident | 86.7 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.2 | -46 | 175.9 | -64.6 | 167.8 | 0 | 0 | 0 | 110 | L465 E589 V590 N591 D595 E596 L597 M652 Q653 Y656 F674 | L465-I593 HydrophobicContact CD1-CD1 3.95Å; L465-I593 HydrophobicContact CD1-CG1 3.51Å; L465-I593 HydrophobicContact CD2-CB 4.37Å; L465-I593 HydrophobicContact CD2-CG1 3.57Å; L465-I593 HydrophobicContact CG-CG1 4.21Å; E589-I593 HydrophobicContact CG-CD1 3.85Å; E589-I593 HydrophobicContact CG-CG1 4.36Å; E589-I593 WeakPolarHBondContact O-CG1 3.37Å; E589-I593 PolarHBondContact O-N 3.13Å; V590-I593 PolarHBondContact O-N 2.97Å; N591-I593 VanDerWaalsContact C-N 3.33Å; N591-I593 PolarHBondContact O-N 2.92Å; I593-D595 VanDerWaalsContact C-N 3.27Å; I593-D595 PolarHBondContact O-N 3.36Å; I593-E596 PolarHBondContact O-N 3Å; I593-L597 HydrophobicContact CG2-CD1 3.59Å; I593-L597 HydrophobicContact CG2-CG 4.08Å; I593-L597 VanDerWaalsContact O-CB 3.3Å; I593-L597 WeakPolarHBondContact O-CB 3.45Å; I593-L597 WeakPolarHBondContact O-CG 3.39Å; I593-L597 PolarHBondContact O-N 3.04Å; I593-M652 HydrophobicContact CD1-CB 4.46Å; I593-M652 HydrophobicContact CG2-CB 4.42Å; I593-Q653 HydrophobicContact CD1-CB 4.43Å; I593-Q653 HydrophobicContact CD1-CG 3.73Å; I593-Y656 HydrophobicContact CG1-CG 4.29Å; I593-Y656 HydrophobicContact CG2-CD2 4.26Å; I593-Y656 HydrophobicContact CG2-CG 4.31Å; I593-F674 HydrophobicContact CB-CZ 4.49Å; I593-F674 HydrophobicContact CG2-CE2 4.45Å; I593-F674 HydrophobicContact CG2-CZ 3.83Å |
| 594 | A | 90.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.3 | -41.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | V590 N591 N598 K599 R601 F603 F674 | V590-A594 WeakPolarHBondContact O-CB 3.27Å; V590-A594 PolarHBondContact O-N 2.89Å; N591-A594 PolarHBondContact O-N 2.81Å; A594-N598 CarbonylContact O-C 3.55Å; A594-N598 WeakPolarHBondContact O-CA 3.35Å; A594-N598 PolarHBondContact O-N 2.84Å; A594-K599 HydrophobicContact CB-CB 4.38Å; A594-K599 PolarHBondContact O-N 2.9Å; A594-R601 HydrophobicContact CB-CB 4.24Å; A594-R601 WeakPolarHBondContact CB-O 3.41Å; A594-F603 HydrophobicContact CB-CE2 4.39Å; A594-F674 HydrophobicContact CB-CD1 4.23Å; A594-F674 HydrophobicContact CB-CE1 3.66Å; A594-F674 HydrophobicContact CB-CZ 4.37Å |
| 595 | D | 86.3 | Confident | 87.1 | Confident | 118 Ų | 118 | 35.8 Ų | 35.8 | 63% | 0.631 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -67.7 | -48.4 | 177.4 | -72.9 | -19.6 | 0 | 0 | 0 | 111.4 | N591 A592 I593 L597 N598 | N591-D595 WeakPolarHBondContact O-CB 3.22Å; N591-D595 PolarHBondContact O-N 2.78Å; A592-D595 PolarHBondContact O-N 3.39Å; I593-D595 VanDerWaalsContact C-N 3.27Å; I593-D595 PolarHBondContact O-N 3.36Å; D595-L597 VanDerWaalsContact C-N 3.35Å; D595-L597 PolarHBondContact O-N 2.79Å; D595-N598 PolarHBondContact O-N 2.72Å; D595-N598 VanDerWaalsContact O-N 3.07Å |
| 596 | E | 84.2 | Confident | 87.5 | Confident | 76 Ų | 76 | 35.7 Ų | 35.7 | 36% | 0.355 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -69.8 | -30.1 | -177.9 | -165.4 | 161.5 | -159 | 0 | 0 | 112.7 | R443 A592 I593 N598 Y656 | R443-E596 IonicContact CZ-OE1 2.79Å; R443-E596 IonicContact NH1-OE1 3.58Å; R443-E596 PolarHBondContact NH1-OE1 2.76Å; R443-E596 VanDerWaalsContact NH1-OE1 3.16Å; R443-E596 IonicContact NH2-OE1 3.38Å; R443-E596 PolarHBondContact NH2-OE1 2.84Å; R443-E596 IonicContact NH2-OE2 3.76Å; A592-E596 WeakPolarHBondContact O-CB 3.48Å; A592-E596 PolarHBondContact O-N 3.36Å; I593-E596 PolarHBondContact O-N 3Å; E596-N598 VanDerWaalsContact C-N 3.34Å; E596-Y656 HydrophobicContact CB-CE2 4.21Å; E596-Y656 HydrophobicContact CG-CE2 3.99Å; E596-Y656 WeakPolarHBondContact OE2-CE2 3.33Å; E596-Y656 VanDerWaalsContact OE2-CZ 3.26Å; E596-Y656 PolarHBondContact OE2-OH 2.94Å |
| 597 | L | 88 | Confident | 87.4 | Confident | 31 Ų | 31 | 36.1 Ų | 36.1 | 16% | 0.162 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 2.8 | 171.9 | -61.3 | -177.7 | 0 | 0 | 0 | 113.5 | I593 D595 K599 M655 Y656 F674 | I593-L597 HydrophobicContact CG2-CD1 3.59Å; I593-L597 HydrophobicContact CG2-CG 4.08Å; I593-L597 VanDerWaalsContact O-CB 3.3Å; I593-L597 WeakPolarHBondContact O-CB 3.45Å; I593-L597 WeakPolarHBondContact O-CG 3.39Å; I593-L597 PolarHBondContact O-N 3.04Å; D595-L597 VanDerWaalsContact C-N 3.35Å; D595-L597 PolarHBondContact O-N 2.79Å; L597-K599 HydrophobicContact CB-CG 3.87Å; L597-K599 PolarHBondContact O-N 3.25Å; L597-M655 HydrophobicContact CD1-CG 3.88Å; L597-M655 HydrophobicContact CD1-SD 3.94Å; L597-Y656 HydrophobicContact CD2-CD2 4.15Å; L597-Y656 HydrophobicContact CG-CD2 4.24Å; L597-F674 HydrophobicContact CD1-CE2 4.33Å |
| 598 | N | 88.3 | Confident | 87.1 | Confident | 114 Ų | 114 | 36.8 Ų | 36.8 | 61% | 0.61 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51 | 39.6 | -178.7 | -166.2 | 29.5 | 0 | 0 | 0 | 114 | A594 D595 E596 Q600 | A594-N598 CarbonylContact O-C 3.55Å; A594-N598 WeakPolarHBondContact O-CA 3.35Å; A594-N598 PolarHBondContact O-N 2.84Å; D595-N598 PolarHBondContact O-N 2.72Å; D595-N598 VanDerWaalsContact O-N 3.07Å; E596-N598 VanDerWaalsContact C-N 3.34Å; N598-Q600 PolarHBondContact O-N 2.69Å; N598-Q600 PolarHBondContact OD1-NE2 3.04Å |
| 599 | K | 89.8 | Confident | 86.9 | Confident | 53 Ų | 53 | 34.1 Ų | 34.1 | 23% | 0.23 | 17% | 0.168 | C | C | . | . | trans | -76.6 | -7.9 | -177.3 | -71.1 | -71.5 | -171.8 | 174.8 | 0 | 114 | A594 L597 R601 M655 D672 F674 | A594-K599 HydrophobicContact CB-CB 4.38Å; A594-K599 PolarHBondContact O-N 2.9Å; L597-K599 HydrophobicContact CB-CG 3.87Å; L597-K599 PolarHBondContact O-N 3.25Å; K599-R601 VanDerWaalsContact C-N 3.29Å; K599-R601 HydrophobicContact CB-CG 4.49Å; K599-R601 PolarHBondContact O-N 3.37Å; K599-R601 PolarHBondContact O-NH1 2.98Å; K599-M655 WeakPolarHBondContact CE-SD 3.41Å; K599-D672 IonicContact NZ-OD1 3.83Å; K599-D672 IonicContact NZ-OD2 2.64Å; K599-D672 PolarHBondContact NZ-OD2 3.46Å; K599-F674 HydrophobicContact CB-CB 4.26Å; K599-F674 HydrophobicContact CB-CD1 4.03Å; K599-F674 HydrophobicContact CB-CD2 4.16Å; K599-F674 HydrophobicContact CB-CE1 4.45Å; K599-F674 HydrophobicContact CB-CG 3.87Å; K599-F674 HydrophobicContact CD-CB 4.23Å; K599-F674 HydrophobicContact CD-CD2 3.72Å; K599-F674 HydrophobicContact CD-CE2 4.35Å; K599-F674 HydrophobicContact CD-CG 4.07Å; K599-F674 HydrophobicContact CG-CB 4.38Å; K599-F674 HydrophobicContact CG-CD1 4.29Å; K599-F674 HydrophobicContact CG-CD2 3.55Å; K599-F674 HydrophobicContact CG-CE2 3.8Å; K599-F674 HydrophobicContact CG-CG 3.81Å; K599-F674 HydrophobicContact CG-CZ 4.28Å | ||
| 600 | Q | 89.5 | Confident | 86.9 | Confident | 80 Ų | 80 | 35.5 Ų | 35.5 | 37% | 0.374 | 18% | 0.177 | S | C | . | . | trans | 54.7 | 46.7 | 179.6 | -60.9 | -65.4 | -39.3 | 0 | 0 | 111.6 | N598 T632 | N598-Q600 PolarHBondContact O-N 2.69Å; N598-Q600 PolarHBondContact OD1-NE2 3.04Å; Q600-T632 WeakPolarHBondContact CA-OG1 3.49Å; Q600-T632 VanDerWaalsContact CB-OG1 3.3Å; Q600-T632 WeakPolarHBondContact CB-OG1 3.07Å; Q600-T632 PolarHBondContact O-N 3.18Å; Q600-T632 PolarHBondContact O-OG1 3.41Å; Q600-T632 VanDerWaalsContact O-OG1 3.13Å; Q600-T632 PolarHBondContact OE1-OG1 3.18Å | ||
| 601 | R | 92.4 | Very high | 86.5 | Confident | 41 Ų | 41 | 36.6 Ų | 36.6 | 16% | 0.155 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 143.6 | 178.3 | -65 | -59.7 | 178.2 | -99.2 | 9.9 | 110.3 | A594 K599 F603 I630 C631 F674 | A594-R601 HydrophobicContact CB-CB 4.24Å; A594-R601 WeakPolarHBondContact CB-O 3.41Å; K599-R601 VanDerWaalsContact C-N 3.29Å; K599-R601 HydrophobicContact CB-CG 4.49Å; K599-R601 PolarHBondContact O-N 3.37Å; K599-R601 PolarHBondContact O-NH1 2.98Å; R601-F603 HydrophobicContact CB-CE2 3.77Å; R601-F603 HydrophobicContact CB-CZ 4.3Å; R601-I630 CarbonylContact C-O 3.58Å; R601-I630 VanDerWaalsContact CA-O 3.31Å; R601-I630 WeakPolarHBondContact CA-O 3.4Å; R601-C631 VanDerWaalsContact CZ-SG 3.52Å; R601-C631 PolarHBondContact NH1-SG 2.83Å; R601-F674 HydrophobicContact CB-CD1 4.13Å; R601-F674 HydrophobicContact CG-CB 3.99Å; R601-F674 HydrophobicContact CG-CD1 4.07Å; R601-F674 HydrophobicContact CG-CG 4.47Å; R601-F674 PolarHBondContact NE-O 3.1Å |
| 602 | K | 91.5 | Very high | 86.1 | Confident | 79 Ų | 79 | 35.7 Ų | 35.7 | 34% | 0.343 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 142 | 171.8 | -169.2 | -174.6 | -175.1 | -159.5 | 0 | 109.9 | N591 E604 M629 I630 T632 | N591-K602 WeakPolarHBondContact OD1-CA 3.47Å; K602-E604 WeakPolarHBondContact CE-OE1 3.42Å; K602-E604 IonicContact NZ-OE1 3.54Å; K602-E604 PolarHBondContact NZ-OE1 2.76Å; K602-M629 CarbonylContact O-C 3.54Å; K602-M629 WeakPolarHBondContact O-CA 3.44Å; K602-I630 HydrophobicContact CB-CB 4.4Å; K602-I630 PolarHBondContact N-O 3.04Å; K602-I630 PolarHBondContact O-N 3.38Å; K602-T632 HydrophobicContact CB-CG2 3.94Å |
| 603 | F | 92.8 | Very high | 86.2 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 137.1 | -176.4 | -62 | -100.7 | 0 | 0 | 0 | 109.2 | V587 V590 N591 A594 R601 V627 R628 M629 W640 F645 M652 F674 | V587-F603 HydrophobicContact CG1-CB 3.97Å; V587-F603 WeakPolarHBondContact CG1-O 3.19Å; V590-F603 HydrophobicContact CB-CD2 4.49Å; V590-F603 HydrophobicContact CG1-CD1 4.08Å; V590-F603 HydrophobicContact CG1-CD2 3.42Å; V590-F603 VanDerWaalsContact CG1-CD2 3.42Å; V590-F603 HydrophobicContact CG1-CE1 3.99Å; V590-F603 HydrophobicContact CG1-CE2 3.34Å; V590-F603 HydrophobicContact CG1-CG 3.79Å; V590-F603 HydrophobicContact CG1-CZ 3.62Å; N591-F603 PolarHBondContact ND2-O 2.77Å; N591-F603 PolarHBondContact OD1-N 3.32Å; A594-F603 HydrophobicContact CB-CE2 4.39Å; R601-F603 HydrophobicContact CB-CE2 3.77Å; R601-F603 HydrophobicContact CB-CZ 4.3Å; F603-V627 HydrophobicContact CB-CG1 4.09Å; F603-V627 HydrophobicContact CD1-CG1 4.06Å; F603-R628 CarbonylContact C-O 3.57Å; F603-R628 VanDerWaalsContact CA-O 3.26Å; F603-R628 WeakPolarHBondContact CA-O 3.32Å; F603-M629 HydrophobicContact CD1-CB 4.03Å; F603-M629 HydrophobicContact CD1-CG 4.26Å; F603-M629 HydrophobicContact CE1-CB 3.93Å; F603-M629 HydrophobicContact CE1-CE 3.4Å; F603-M629 VanDerWaalsContact CE1-CE 3.4Å; F603-M629 HydrophobicContact CE1-CG 3.82Å; F603-M629 HydrophobicContact CE1-SD 4.49Å; F603-M629 HydrophobicContact CZ-CE 3.48Å; F603-M629 VanDerWaalsContact CZ-CE 3.48Å; F603-M629 HydrophobicContact CZ-CG 4.03Å; F603-W640 HydrophobicContact CE1-CE3 4.33Å; F603-W640 HydrophobicContact CE1-CH2 4.21Å; F603-W640 AromaticContact CE1-CZ3 3.77Å; F603-W640 HydrophobicContact CE1-CZ3 3.77Å; F603-F645 HydrophobicContact CB-CE2 4.49Å; F603-F645 HydrophobicContact CD1-CD2 4.17Å; F603-F645 AromaticContact CD1-CE2 3.88Å; F603-F645 HydrophobicContact CD1-CE2 3.88Å; F603-F645 HydrophobicContact CE1-CE2 4.44Å; F603-F645 HydrophobicContact CG-CE2 4.37Å; F603-M652 HydrophobicContact CE1-CE 3.9Å; F603-M652 HydrophobicContact CZ-CE 3.51Å; F603-M652 HydrophobicContact CZ-SD 4.13Å; F603-F674 AromaticContact CE2-CD1 4Å; F603-F674 HydrophobicContact CE2-CD1 4Å; F603-F674 HydrophobicContact CE2-CE1 4Å; F603-F674 AromaticContact CZ-CD1 3.91Å; F603-F674 HydrophobicContact CZ-CD1 3.91Å; F603-F674 HydrophobicContact CZ-CE1 4.16Å |
| 604 | E | 89.3 | Confident | 86.1 | Confident | 26 Ų | 26 | 38 Ų | 38 | 12% | 0.121 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 133 | -178.2 | -62.1 | -173.5 | 176 | 0 | 0 | 110.5 | K602 I606 R628 | K602-E604 WeakPolarHBondContact CE-OE1 3.42Å; K602-E604 IonicContact NZ-OE1 3.54Å; K602-E604 PolarHBondContact NZ-OE1 2.76Å; E604-I606 PolarHBondContact O-N 2.85Å; E604-R628 PolarHBondContact N-O 2.82Å; E604-R628 PolarHBondContact O-N 2.86Å; E604-R628 IonicContact OE2-CZ 3.23Å; E604-R628 IonicContact OE2-NE 3.33Å; E604-R628 IonicContact OE2-NH2 2.65Å; E604-R628 PolarHBondContact OE2-NH2 3.16Å |
| 605 | V | 87.2 | Confident | 85.9 | Confident | 8 Ų | 8 | 39.9 Ų | 39.9 | 5% | 0.048 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 129.3 | 172 | -178.2 | 0 | 0 | 0 | 0 | 109.2 | L580 L583 L584 V587 V625 R853 | L580-V605 HydrophobicContact CD2-CG1 3.6Å; L583-V605 HydrophobicContact CB-CG2 4.47Å; L583-V605 HydrophobicContact CD2-CG1 4.03Å; L583-V605 HydrophobicContact CD2-CG2 3.86Å; L583-V605 HydrophobicContact CG-CG2 3.96Å; L584-V605 HydrophobicContact CD2-CB 4.39Å; L584-V605 HydrophobicContact CD2-CG2 3.98Å; V587-V605 HydrophobicContact CB-CG2 4.19Å; V587-V605 HydrophobicContact CG2-CG2 3.66Å; V605-V625 HydrophobicContact CG1-CG1 3.66Å; V605-R853 PolarHBondContact O-NH1 2.97Å |
| 606 | I | 83.1 | Confident | 86 | Confident | 8 Ų | 8 | 38 Ų | 38 | 4% | 0.041 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 150.4 | 172.8 | 69.1 | 166 | 0 | 0 | 0 | 110.3 | E604 M626 R628 L639 F708 | E604-I606 PolarHBondContact O-N 2.85Å; I606-M626 HydrophobicContact CD1-CB 4.22Å; I606-M626 HydrophobicContact CG1-CB 3.76Å; I606-M626 PolarHBondContact N-O 3.4Å; I606-M626 PolarHBondContact O-N 2.83Å; I606-R628 HydrophobicContact CG2-CB 3.99Å; I606-L639 HydrophobicContact CD1-CD1 4.21Å; I606-L639 HydrophobicContact CD1-CD2 3.38Å; I606-L639 HydrophobicContact CD1-CG 4.41Å; I606-L639 HydrophobicContact CG1-CD2 4.47Å; I606-F708 HydrophobicContact CB-CE2 4.33Å; I606-F708 HydrophobicContact CG2-CE2 4Å; I606-F708 HydrophobicContact CG2-CZ 4.24Å |
| 607 | L | 81.4 | Confident | 86.1 | Confident | 24 Ų | 24 | 37.1 Ų | 37.1 | 13% | 0.126 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 112.2 | 174.7 | -63.9 | -175.6 | 0 | 0 | 0 | 108.5 | L576 L580 P609 T623 V625 | L576-L607 HydrophobicContact CD1-CD2 3.84Å; L580-L607 HydrophobicContact CD1-CD2 4.35Å; L580-L607 HydrophobicContact CD2-CD2 3.93Å; L580-L607 HydrophobicContact CG-CD2 4.4Å; L607-P609 WeakPolarHBondContact O-CD 3.26Å; L607-T623 HydrophobicContact CB-CG2 3.98Å; L607-T623 HydrophobicContact CD2-CG2 4.43Å; L607-V625 HydrophobicContact CD2-CG1 4.47Å; L607-V625 HydrophobicContact CD2-CG2 3.92Å |
| 608 | L | 81.8 | Confident | 86 | Confident | 20 Ų | 20 | 39.2 Ų | 39.2 | 11% | 0.105 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 111.1 | 178.4 | -166.2 | 68.1 | 0 | 0 | 0 | 109 | A612 Q613 T623 K624 M626 | L608-A612 HydrophobicContact CD1-CB 3.53Å; L608-A612 HydrophobicContact CG-CB 4.11Å; L608-Q613 HydrophobicContact CB-CG 4.39Å; L608-Q613 HydrophobicContact CD2-CB 4.46Å; L608-Q613 HydrophobicContact CD2-CG 3.48Å; L608-Q613 VanDerWaalsContact CD2-CG 3.48Å; L608-Q613 HydrophobicContact CG-CG 3.75Å; L608-Q613 PolarHBondContact O-NE2 3.24Å; L608-T623 WeakPolarHBondContact O-CA 3.13Å; L608-K624 HydrophobicContact CB-CB 4.4Å; L608-K624 PolarHBondContact N-O 2.82Å; L608-K624 PolarHBondContact O-N 2.88Å; L608-M626 HydrophobicContact CB-CG 4.25Å |
| 609 | P | 78.2 | Confident | 85.8 | Confident | 7 Ų | 7 | 37.7 Ų | 37.7 | 5% | 0.045 | 20% | 0.203 | C | C | . | . | trans | -66.5 | 159.2 | 178.1 | 31.5 | -39.5 | 0 | 0 | 0 | 111 | L607 T611 A612 Q613 L858 | L607-P609 WeakPolarHBondContact O-CD 3.26Å; P609-T611 PolarHBondContact O-N 2.95Å; P609-A612 HydrophobicContact CG-CB 3.91Å; P609-A612 PolarHBondContact O-N 2.86Å; P609-Q613 WeakPolarHBondContact O-CG 3.38Å; P609-Q613 PolarHBondContact O-NE2 2.91Å; P609-L858 HydrophobicContact CG-CD1 3.6Å | ||
| 610 | P | 82.1 | Confident | 85.2 | Confident | 31 Ų | 31 | 38.5 Ų | 38.5 | 20% | 0.201 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -52 | -32 | 177.5 | -27.6 | 34.7 | 0 | 0 | 0 | 114.1 | A612 Q613 L615 K621 | P610-A612 VanDerWaalsContact C-N 3.34Å; P610-A612 PolarHBondContact O-N 2.85Å; P610-Q613 PolarHBondContact O-N 3.04Å; P610-L615 HydrophobicContact CB-CD1 3.8Å; P610-K621 HydrophobicContact CB-CB 3.86Å; P610-K621 HydrophobicContact CB-CG 4.34Å; P610-K621 VanDerWaalsContact CG-C 3.5Å; P610-K621 HydrophobicContact CG-CB 4.07Å |
| 611 | T | 79.3 | Confident | 84.7 | Confident | 24 Ų | 24 | 40.1 Ų | 40.1 | 15% | 0.147 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -71.8 | -26.7 | -177 | 57.3 | 0 | 0 | 0 | 0 | 113.2 | P609 F824 C826 V860 | P609-T611 PolarHBondContact O-N 2.95Å; T611-F824 HydrophobicContact CG2-CE1 4.31Å; T611-F824 HydrophobicContact CG2-CE2 4.46Å; T611-F824 HydrophobicContact CG2-CZ 3.59Å; T611-C826 PolarHBondContact O-SG 3.29Å; T611-V860 HydrophobicContact CG2-CB 3.86Å; T611-V860 HydrophobicContact CG2-CG1 4.07Å; T611-V860 HydrophobicContact CG2-CG2 3.5Å |
| 612 | A | 81.8 | Confident | 84.2 | Confident | 5 Ų | 5 | 44 Ų | 44 | 4% | 0.041 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -96.5 | 6.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L608 P609 P610 F682 I685 | L608-A612 HydrophobicContact CD1-CB 3.53Å; L608-A612 HydrophobicContact CG-CB 4.11Å; P609-A612 HydrophobicContact CG-CB 3.91Å; P609-A612 PolarHBondContact O-N 2.86Å; P610-A612 VanDerWaalsContact C-N 3.34Å; P610-A612 PolarHBondContact O-N 2.85Å; A612-F682 HydrophobicContact CB-CZ 4.07Å; A612-I685 HydrophobicContact CB-CG2 4.02Å |
| 613 | Q | 85.5 | Confident | 83.7 | Confident | 25 Ų | 25 | 42.4 Ų | 42.4 | 12% | 0.117 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -1.3 | -175.3 | -81.6 | 177.2 | 53 | 0 | 0 | 114.9 | L608 P609 P610 L615 R622 K624 | L608-Q613 HydrophobicContact CB-CG 4.39Å; L608-Q613 HydrophobicContact CD2-CB 4.46Å; L608-Q613 HydrophobicContact CD2-CG 3.48Å; L608-Q613 VanDerWaalsContact CD2-CG 3.48Å; L608-Q613 HydrophobicContact CG-CG 3.75Å; L608-Q613 PolarHBondContact O-NE2 3.24Å; P609-Q613 WeakPolarHBondContact O-CG 3.38Å; P609-Q613 PolarHBondContact O-NE2 2.91Å; P610-Q613 PolarHBondContact O-N 3.04Å; Q613-L615 HydrophobicContact CB-CD1 4.34Å; Q613-L615 HydrophobicContact CB-CD2 3.93Å; Q613-L615 HydrophobicContact CB-CG 3.73Å; Q613-L615 PolarHBondContact O-N 3.19Å; Q613-R622 PolarHBondContact NE2-O 2.84Å; Q613-K624 HydrophobicContact CG-CD 4.21Å; Q613-K624 VanDerWaalsContact OE1-CG 3.3Å |
| 614 | A | 84.9 | Confident | 83.3 | Confident | 26 Ų | 26 | 46.6 Ų | 46.6 | 22% | 0.215 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 58.6 | -170.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | R785 L792 M828 | A614-R785 PolarHBondContact O-NH1 2.55Å; A614-R785 PolarHBondContact O-NH2 3.24Å; A614-L792 HydrophobicContact CB-CD1 4.33Å; A614-L792 HydrophobicContact CB-CD2 4.32Å; A614-M828 HydrophobicContact CB-CE 3.47Å; A614-M828 VanDerWaalsContact CB-CE 3.47Å; A614-M828 HydrophobicContact CB-SD 3.51Å; A614-M828 VanDerWaalsContact CB-SD 3.51Å |
| 615 | L | 86.4 | Confident | 83.1 | Confident | 41 Ų | 41 | 45.6 Ų | 45.6 | 22% | 0.215 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -86.7 | 132.1 | 179.2 | -64.5 | 177.8 | 0 | 0 | 0 | 114 | P610 Q613 E619 S620 R785 | P610-L615 HydrophobicContact CB-CD1 3.8Å; Q613-L615 HydrophobicContact CB-CD1 4.34Å; Q613-L615 HydrophobicContact CB-CD2 3.93Å; Q613-L615 HydrophobicContact CB-CG 3.73Å; Q613-L615 PolarHBondContact O-N 3.19Å; L615-E619 WeakPolarHBondContact CA-OE2 3.4Å; L615-E619 HydrophobicContact CB-CB 4.28Å; L615-S620 WeakPolarHBondContact CD1-O 3.39Å; L615-R785 VanDerWaalsContact CA-NH2 3.28Å; L615-R785 VanDerWaalsContact N-NH2 3.11Å; L615-R785 PolarHBondContact O-NH2 2.79Å |
| 616 | K | 88.1 | Confident | 83.1 | Confident | 78 Ų | 78 | 46.2 Ų | 46.2 | 34% | 0.339 | 25% | 0.249 | S | C | . | . | P | Polyproline II helix | trans | -65.4 | 156.2 | -177.7 | -64.8 | 177.2 | -172 | 167 | 0 | 109.4 | G618 E619 R785 | K616-G618 PolarHBondContact O-N 3Å; K616-E619 VanDerWaalsContact CB-CD 3.49Å; K616-E619 HydrophobicContact CB-CG 3.86Å; K616-E619 WeakPolarHBondContact CB-OE1 3.36Å; K616-E619 VanDerWaalsContact CD-OE1 3.27Å; K616-E619 WeakPolarHBondContact CD-OE1 3.19Å; K616-E619 VanDerWaalsContact CG-OE1 3.28Å; K616-E619 WeakPolarHBondContact CG-OE1 3.41Å; K616-E619 VanDerWaalsContact N-CD 3.3Å; K616-E619 PolarHBondContact N-OE2 3.08Å; K616-E619 WeakPolarHBondContact O-CB 3.22Å; K616-E619 PolarHBondContact O-N 3.49Å; K616-R785 VanDerWaalsContact CA-CZ 3.46Å |
| 617 | Y | 88 | Confident | 83.5 | Confident | 58 Ų | 58 | 45.8 Ų | 45.8 | 23% | 0.227 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 126.5 | 171.3 | 178.9 | -105.9 | 0 | 0 | 0 | 109.8 | F787 K788 E815 Y819 E823 | Y617-F787 AromaticContact CD1-CD2 3.98Å; Y617-F787 HydrophobicContact CD1-CD2 3.98Å; Y617-F787 AromaticContact CD1-CE2 3.66Å; Y617-F787 HydrophobicContact CD1-CE2 3.66Å; Y617-F787 HydrophobicContact CE1-CD2 4.39Å; Y617-F787 AromaticContact CE1-CE2 3.7Å; Y617-F787 HydrophobicContact CE1-CE2 3.7Å; Y617-F787 HydrophobicContact CG-CD2 4.17Å; Y617-F787 HydrophobicContact CG-CE2 4.27Å; Y617-K788 HydrophobicContact CD1-CG 4.15Å; Y617-E815 HydrophobicContact CE1-CG 3.76Å; Y617-Y819 AromaticContact CD2-CD2 3.47Å; Y617-Y819 HydrophobicContact CD2-CD2 3.47Å; Y617-Y819 VanDerWaalsContact CD2-CD2 3.47Å; Y617-Y819 HydrophobicContact CD2-CE2 4.16Å; Y617-Y819 HydrophobicContact CD2-CG 4.41Å; Y617-Y819 AromaticContact CE2-CD2 3.87Å; Y617-Y819 HydrophobicContact CE2-CD2 3.87Å; Y617-Y819 HydrophobicContact CE2-CG 4.5Å; Y617-Y819 HydrophobicContact CG-CD2 4.02Å; Y617-E823 HydrophobicContact CD2-CG 3.93Å; Y617-E823 HydrophobicContact CE2-CG 3.87Å |
| 618 | G | 84.5 | Confident | 83.8 | Confident | 75 Ų | 75 | 45.4 Ų | 45.4 | 77% | 0.773 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.7 | -6.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | K616 | K616-G618 PolarHBondContact O-N 3Š|
| 619 | E | 84 | Confident | 84.2 | Confident | 82 Ų | 82 | 44.8 Ų | 44.8 | 38% | 0.383 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -72.7 | 155 | 172.9 | -78.4 | 177.2 | -173.2 | 0 | 0 | 112.2 | L615 K616 K621 | L615-E619 WeakPolarHBondContact CA-OE2 3.4Å; L615-E619 HydrophobicContact CB-CB 4.28Å; K616-E619 VanDerWaalsContact CB-CD 3.49Å; K616-E619 HydrophobicContact CB-CG 3.86Å; K616-E619 WeakPolarHBondContact CB-OE1 3.36Å; K616-E619 VanDerWaalsContact CD-OE1 3.27Å; K616-E619 WeakPolarHBondContact CD-OE1 3.19Å; K616-E619 VanDerWaalsContact CG-OE1 3.28Å; K616-E619 WeakPolarHBondContact CG-OE1 3.41Å; K616-E619 VanDerWaalsContact N-CD 3.3Å; K616-E619 PolarHBondContact N-OE2 3.08Å; K616-E619 WeakPolarHBondContact O-CB 3.22Å; K616-E619 PolarHBondContact O-N 3.49Å; E619-K621 PolarHBondContact O-N 2.8Å |
| 620 | S | 78 | Confident | 84.7 | Confident | 70 Ų | 70 | 45.5 Ų | 45.5 | 49% | 0.49 | 24% | 0.243 | S | C | . | . | trans | -66.9 | 120.2 | -177.2 | -169.8 | 0 | 0 | 0 | 0 | 111.6 | L615 R622 | L615-S620 WeakPolarHBondContact CD1-O 3.39Å; S620-R622 PolarHBondContact O-N 2.89Å; S620-R622 PolarHBondContact OG-NE 3.49Å | ||
| 621 | K | 79.4 | Confident | 84.9 | Confident | 114 Ų | 114 | 44.4 Ų | 44.4 | 50% | 0.496 | 24% | 0.236 | S | C | . | . | trans | -80.4 | 73.4 | 179.1 | -65 | -179.2 | 175.4 | -179.8 | 0 | 111.5 | P610 E619 E823 | P610-K621 HydrophobicContact CB-CB 3.86Å; P610-K621 HydrophobicContact CB-CG 4.34Å; P610-K621 VanDerWaalsContact CG-C 3.5Å; P610-K621 HydrophobicContact CG-CB 4.07Å; E619-K621 PolarHBondContact O-N 2.8Å; K621-E823 IonicContact NZ-OE1 3.88Å; K621-E823 PolarHBondContact NZ-OE1 2.68Å; K621-E823 IonicContact NZ-OE2 3.02Å; K621-E823 PolarHBondContact NZ-OE2 2.88Å | ||
| 622 | R | 81.3 | Confident | 85.2 | Confident | 122 Ų | 122 | 45.4 Ų | 45.4 | 46% | 0.46 | 24% | 0.242 | S | C | . | . | trans | -109 | 144.4 | 176.6 | -63.1 | -178.7 | -174.4 | 177.9 | 5.3 | 111.8 | E572 Q613 S620 | E572-R622 IonicContact OE1-NE 2.97Å; Q613-R622 PolarHBondContact NE2-O 2.84Å; S620-R622 PolarHBondContact O-N 2.89Å; S620-R622 PolarHBondContact OG-NE 3.49Å | ||
| 623 | T | 80.9 | Confident | 85.2 | Confident | 45 Ų | 45 | 49.1 Ų | 49.1 | 28% | 0.276 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 131 | 169.6 | -57.5 | 0 | 0 | 0 | 0 | 110 | L576 L607 L608 | L576-T623 HydrophobicContact CD1-CG2 4.27Å; L607-T623 HydrophobicContact CB-CG2 3.98Å; L607-T623 HydrophobicContact CD2-CG2 4.43Å; L608-T623 WeakPolarHBondContact O-CA 3.13Å |
| 624 | K | 84.1 | Confident | 84.9 | Confident | 89 Ų | 89 | 48.9 Ų | 48.9 | 39% | 0.387 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 135.9 | 175 | -78.5 | -176.2 | -178.3 | -173.6 | 0 | 110.6 | L608 Q613 M626 | L608-K624 HydrophobicContact CB-CB 4.4Å; L608-K624 PolarHBondContact N-O 2.82Å; L608-K624 PolarHBondContact O-N 2.88Å; Q613-K624 HydrophobicContact CG-CD 4.21Å; Q613-K624 VanDerWaalsContact OE1-CG 3.3Å; K624-M626 HydrophobicContact CB-CG 4.46Å |
| 625 | V | 85.7 | Confident | 84.5 | Confident | 6 Ų | 6 | 48.1 Ų | 48.1 | 4% | 0.036 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 122.9 | 169.4 | -171.5 | 0 | 0 | 0 | 0 | 108.8 | L576 Q579 L580 L583 V605 L607 | L576-V625 HydrophobicContact CD1-CG2 3.4Å; L576-V625 VanDerWaalsContact CD1-CG2 3.4Å; Q579-V625 HydrophobicContact CB-CG2 3.94Å; L580-V625 HydrophobicContact CD2-CG1 4.04Å; L580-V625 HydrophobicContact CD2-CG2 4.43Å; L580-V625 HydrophobicContact CG-CG2 4.41Å; L583-V625 HydrophobicContact CD2-CG1 3.4Å; L583-V625 VanDerWaalsContact CD2-CG1 3.4Å; V605-V625 HydrophobicContact CG1-CG1 3.66Å; L607-V625 HydrophobicContact CD2-CG1 4.47Å; L607-V625 HydrophobicContact CD2-CG2 3.92Å |
| 626 | M | 87.7 | Confident | 84.2 | Confident | 20 Ų | 20 | 47.2 Ų | 47.2 | 10% | 0.099 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 159.3 | -179.4 | -56.1 | -74 | -72 | 0 | 0 | 109.6 | I606 L608 K624 W640 E641 | I606-M626 HydrophobicContact CD1-CB 4.22Å; I606-M626 HydrophobicContact CG1-CB 3.76Å; I606-M626 PolarHBondContact N-O 3.4Å; I606-M626 PolarHBondContact O-N 2.83Å; L608-M626 HydrophobicContact CB-CG 4.25Å; K624-M626 HydrophobicContact CB-CG 4.46Å; M626-W640 WeakPolarHBondContact CA-O 3.35Å; M626-E641 HydrophobicContact CE-CB 4.31Å; M626-E641 HydrophobicContact CE-CG 3.62Å; M626-E641 HydrophobicContact SD-CB 4.26Å; M626-E641 HydrophobicContact SD-CG 3.84Å |
| 627 | V | 90.7 | Very high | 83.9 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 122.6 | 171.4 | -177.1 | 0 | 0 | 0 | 0 | 109.4 | L583 V587 F603 W640 F645 | L583-V627 HydrophobicContact CD1-CG2 3.92Å; L583-V627 HydrophobicContact CD2-CG2 3.64Å; L583-V627 HydrophobicContact CG-CG2 4Å; V587-V627 HydrophobicContact CG2-CG1 4.1Å; V587-V627 HydrophobicContact CG2-CG2 4.04Å; F603-V627 HydrophobicContact CB-CG1 4.09Å; F603-V627 HydrophobicContact CD1-CG1 4.06Å; V627-W640 PolarHBondContact N-O 3.31Å; V627-W640 WeakPolarHBondContact O-CB 3.16Å; V627-W640 PolarHBondContact O-N 3.17Å; V627-F645 HydrophobicContact CB-CB 4.04Å; V627-F645 HydrophobicContact CB-CD2 3.88Å; V627-F645 HydrophobicContact CB-CG 3.95Å; V627-F645 HydrophobicContact CG1-CD2 3.58Å; V627-F645 HydrophobicContact CG1-CE2 3.89Å; V627-F645 HydrophobicContact CG1-CG 4.15Å; V627-F645 HydrophobicContact CG2-CB 3.8Å; V627-F645 HydrophobicContact CG2-CD1 3.84Å; V627-F645 HydrophobicContact CG2-CD2 3.87Å; V627-F645 HydrophobicContact CG2-CE1 4.38Å; V627-F645 HydrophobicContact CG2-CE2 4.42Å; V627-F645 HydrophobicContact CG2-CG 3.53Å |
| 628 | R | 88 | Confident | 83.9 | Confident | 15 Ų | 15 | 42.4 Ų | 42.4 | 6% | 0.057 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 124.9 | 170.4 | 177.2 | 173.3 | 61.8 | 175.6 | -4.1 | 109.3 | F603 E604 I606 I630 M637 C638 L639 | F603-R628 CarbonylContact C-O 3.57Å; F603-R628 VanDerWaalsContact CA-O 3.26Å; F603-R628 WeakPolarHBondContact CA-O 3.32Å; E604-R628 PolarHBondContact N-O 2.82Å; E604-R628 PolarHBondContact O-N 2.86Å; E604-R628 IonicContact OE2-CZ 3.23Å; E604-R628 IonicContact OE2-NE 3.33Å; E604-R628 IonicContact OE2-NH2 2.65Å; E604-R628 PolarHBondContact OE2-NH2 3.16Å; I606-R628 HydrophobicContact CG2-CB 3.99Å; R628-I630 HydrophobicContact CG-CD1 4.49Å; R628-I630 HydrophobicContact CG-CG1 3.96Å; R628-M637 HydrophobicContact CG-SD 4.48Å; R628-C638 WeakPolarHBondContact CA-O 3.34Å; R628-L639 HydrophobicContact CB-CD2 3.74Å; R628-L639 HydrophobicContact CG-CD2 3.97Å |
| 629 | M | 90.7 | Very high | 83.9 | Confident | 8 Ų | 8 | 41.4 Ų | 41.4 | 4% | 0.039 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 137.1 | 166 | 178.2 | -159.4 | -79.5 | 0 | 0 | 109 | K602 F603 M637 C638 W640 M652 | K602-M629 CarbonylContact O-C 3.54Å; K602-M629 WeakPolarHBondContact O-CA 3.44Å; F603-M629 HydrophobicContact CD1-CB 4.03Å; F603-M629 HydrophobicContact CD1-CG 4.26Å; F603-M629 HydrophobicContact CE1-CB 3.93Å; F603-M629 HydrophobicContact CE1-CE 3.4Å; F603-M629 VanDerWaalsContact CE1-CE 3.4Å; F603-M629 HydrophobicContact CE1-CG 3.82Å; F603-M629 HydrophobicContact CE1-SD 4.49Å; F603-M629 HydrophobicContact CZ-CE 3.48Å; F603-M629 VanDerWaalsContact CZ-CE 3.48Å; F603-M629 HydrophobicContact CZ-CG 4.03Å; M629-M637 CarbonylContact O-C 3.53Å; M629-M637 WeakPolarHBondContact O-CA 3.3Å; M629-C638 PolarHBondContact N-O 2.78Å; M629-C638 PolarHBondContact O-N 3.04Å; M629-W640 HydrophobicContact CE-CH2 3.04Å; M629-W640 HydrophobicContact CE-CZ2 3.13Å; M629-W640 HydrophobicContact CE-CZ3 3.81Å; M629-W640 HydrophobicContact SD-CZ2 4.24Å; M629-M652 HydrophobicContact CE-CE 4.45Å |
| 630 | I | 88.3 | Confident | 84.2 | Confident | 22 Ų | 22 | 37.6 Ų | 37.6 | 11% | 0.113 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 128.8 | -179.6 | -52.1 | 173.9 | 0 | 0 | 0 | 108.4 | R601 K602 R628 T632 Q636 M637 | R601-I630 CarbonylContact C-O 3.58Å; R601-I630 VanDerWaalsContact CA-O 3.31Å; R601-I630 WeakPolarHBondContact CA-O 3.4Å; K602-I630 HydrophobicContact CB-CB 4.4Å; K602-I630 PolarHBondContact N-O 3.04Å; K602-I630 PolarHBondContact O-N 3.38Å; R628-I630 HydrophobicContact CG-CD1 4.49Å; R628-I630 HydrophobicContact CG-CG1 3.96Å; I630-T632 PolarHBondContact O-N 3.36Å; I630-Q636 CarbonylContact C-O 3.58Å; I630-Q636 WeakPolarHBondContact CA-O 3.46Å; I630-M637 HydrophobicContact CB-CG 4.37Å; I630-M637 HydrophobicContact CD1-CE 4.04Å; I630-M637 HydrophobicContact CD1-SD 4.22Å; I630-M637 HydrophobicContact CG1-CE 4.11Å; I630-M637 HydrophobicContact CG1-CG 4Å; I630-M637 HydrophobicContact CG1-SD 3.93Å; I630-M637 HydrophobicContact CG2-CE 3.88Å; I630-M637 HydrophobicContact CG2-CG 4.15Å |
| 631 | C | 86.9 | Confident | 84.6 | Confident | 8 Ų | 8 | 39.2 Ų | 39.2 | 5% | 0.054 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 110.1 | 170.8 | -165.4 | 0 | 0 | 0 | 0 | 108.9 | R601 N633 T634 G635 Q636 | R601-C631 VanDerWaalsContact CZ-SG 3.52Å; R601-C631 PolarHBondContact NH1-SG 2.83Å; C631-N633 PolarHBondContact O-N 3.07Å; C631-N633 PolarHBondContact SG-OD1 3.34Å; C631-T634 VanDerWaalsContact CB-OG1 3.26Å; C631-T634 WeakPolarHBondContact CB-OG1 3.29Å; C631-T634 PolarHBondContact SG-OG1 2.89Å; C631-G635 VanDerWaalsContact O-CA 3.23Å; C631-G635 WeakPolarHBondContact O-CA 3.47Å; C631-G635 PolarHBondContact O-N 3.32Å; C631-Q636 HydrophobicContact CB-CB 3.98Å; C631-Q636 WeakPolarHBondContact CB-O 3.47Å; C631-Q636 PolarHBondContact N-O 2.83Å |
| 632 | T | 84 | Confident | 84.8 | Confident | 44 Ų | 44 | 37 Ų | 37 | 27% | 0.27 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -12.3 | -168.5 | 53.5 | 0 | 0 | 0 | 0 | 114.2 | Q600 K602 I630 K839 | Q600-T632 WeakPolarHBondContact CA-OG1 3.49Å; Q600-T632 VanDerWaalsContact CB-OG1 3.3Å; Q600-T632 WeakPolarHBondContact CB-OG1 3.07Å; Q600-T632 PolarHBondContact O-N 3.18Å; Q600-T632 PolarHBondContact O-OG1 3.41Å; Q600-T632 VanDerWaalsContact O-OG1 3.13Å; Q600-T632 PolarHBondContact OE1-OG1 3.18Å; K602-T632 HydrophobicContact CB-CG2 3.94Å; I630-T632 PolarHBondContact O-N 3.36Å; T632-K839 WeakPolarHBondContact O-CE 3.49Å; T632-K839 PolarHBondContact O-NZ 2.9Å |
| 633 | N | 82.1 | Confident | 84.6 | Confident | 84 Ų | 84 | 34.7 Ų | 34.7 | 45% | 0.449 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | -35.7 | 178.4 | 61.7 | -24.1 | 0 | 0 | 0 | 113.5 | C631 K839 | C631-N633 PolarHBondContact O-N 3.07Å; C631-N633 PolarHBondContact SG-OD1 3.34Å; N633-K839 WeakPolarHBondContact O-CG 3.3Å |
| 634 | T | 79.9 | Confident | 84.7 | Confident | 20 Ų | 20 | 35 Ų | 35 | 12% | 0.123 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -21 | 179.2 | 63 | 0 | 0 | 0 | 0 | 112.9 | C631 Q636 D837 | C631-T634 VanDerWaalsContact CB-OG1 3.26Å; C631-T634 WeakPolarHBondContact CB-OG1 3.29Å; C631-T634 PolarHBondContact SG-OG1 2.89Å; T634-Q636 PolarHBondContact O-N 2.89Å; T634-Q636 WeakPolarHBondContact OG1-CB 3.36Å; T634-Q636 VanDerWaalsContact OG1-CG 3.32Å; T634-Q636 WeakPolarHBondContact OG1-CG 3.48Å; T634-Q636 PolarHBondContact OG1-N 3.26Å; T634-Q636 PolarHBondContact OG1-OE1 2.93Å; T634-D837 WeakPolarHBondContact CA-O 3.47Å; T634-D837 WeakPolarHBondContact CB-O 3.36Å |
| 635 | G | 75.9 | Confident | 84.8 | Confident | 9 Ų | 9 | 30.7 Ų | 30.7 | 9% | 0.093 | 15% | 0.154 | C | C | . | . | trans | 77.5 | -1.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | C631 M637 F842 | C631-G635 VanDerWaalsContact O-CA 3.23Å; C631-G635 WeakPolarHBondContact O-CA 3.47Å; C631-G635 PolarHBondContact O-N 3.32Å; G635-M637 VanDerWaalsContact O-CG 3.27Å; G635-M637 WeakPolarHBondContact O-CG 3.33Å; G635-F842 WeakPolarHBondContact O-CB 3.27Å; G635-F842 WeakPolarHBondContact O-CG 3.31Å | ||
| 636 | Q | 80.4 | Confident | 84.5 | Confident | 23 Ų | 23 | 31.9 Ų | 31.9 | 11% | 0.107 | 16% | 0.159 | C | C | . | . | trans | -57.2 | 145 | 176.3 | -71.2 | 156.9 | -16.5 | 0 | 0 | 111.1 | I630 C631 T634 L678 F834 E835 F842 | I630-Q636 CarbonylContact C-O 3.58Å; I630-Q636 WeakPolarHBondContact CA-O 3.46Å; C631-Q636 HydrophobicContact CB-CB 3.98Å; C631-Q636 WeakPolarHBondContact CB-O 3.47Å; C631-Q636 PolarHBondContact N-O 2.83Å; T634-Q636 PolarHBondContact O-N 2.89Å; T634-Q636 WeakPolarHBondContact OG1-CB 3.36Å; T634-Q636 VanDerWaalsContact OG1-CG 3.32Å; T634-Q636 WeakPolarHBondContact OG1-CG 3.48Å; T634-Q636 PolarHBondContact OG1-N 3.26Å; T634-Q636 PolarHBondContact OG1-OE1 2.93Å; Q636-L678 HydrophobicContact CB-CD2 4.17Å; Q636-L678 HydrophobicContact CG-CD2 4.01Å; Q636-F834 PolarHBondContact NE2-O 3.49Å; Q636-E835 VanDerWaalsContact NE2-CA 3.35Å; Q636-E835 PolarHBondContact NE2-O 2.86Å; Q636-F842 HydrophobicContact CG-CE2 4.39Å | ||
| 637 | M | 82.6 | Confident | 83.9 | Confident | 17 Ų | 17 | 32 Ų | 32 | 8% | 0.084 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 148 | -177.3 | -50.2 | -170 | -178.9 | 0 | 0 | 111.6 | R628 M629 I630 G635 L681 Q833 Y845 | R628-M637 HydrophobicContact CG-SD 4.48Å; M629-M637 CarbonylContact O-C 3.53Å; M629-M637 WeakPolarHBondContact O-CA 3.3Å; I630-M637 HydrophobicContact CB-CG 4.37Å; I630-M637 HydrophobicContact CD1-CE 4.04Å; I630-M637 HydrophobicContact CD1-SD 4.22Å; I630-M637 HydrophobicContact CG1-CE 4.11Å; I630-M637 HydrophobicContact CG1-CG 4Å; I630-M637 HydrophobicContact CG1-SD 3.93Å; I630-M637 HydrophobicContact CG2-CE 3.88Å; I630-M637 HydrophobicContact CG2-CG 4.15Å; G635-M637 VanDerWaalsContact O-CG 3.27Å; G635-M637 WeakPolarHBondContact O-CG 3.33Å; M637-L681 HydrophobicContact CB-CD1 3.89Å; M637-Q833 VanDerWaalsContact N-OE1 3.07Å; M637-Q833 PolarHBondContact O-NE2 3.4Å; M637-Q833 PolarHBondContact O-OE1 2.85Å; M637-Y845 HydrophobicContact CE-CD2 4.29Å; M637-Y845 HydrophobicContact SD-CD2 4.18Å |
| 638 | C | 86.4 | Confident | 83.5 | Confident | 17 Ų | 17 | 32.5 Ų | 32.5 | 12% | 0.115 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 152.5 | 168.5 | 65 | 0 | 0 | 0 | 0 | 110.6 | R628 M629 W640 | R628-C638 WeakPolarHBondContact CA-O 3.34Å; M629-C638 PolarHBondContact N-O 2.78Å; M629-C638 PolarHBondContact O-N 3.04Å; C638-W640 PolarHBondContact SG-NE1 2.74Å; C638-W640 VanDerWaalsContact SG-NE1 3.39Å |
| 639 | L | 86.1 | Confident | 83.2 | Confident | 55 Ų | 55 | 32.3 Ų | 32.3 | 29% | 0.288 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 125.8 | -179.2 | -64.6 | -177.1 | 0 | 0 | 0 | 109.6 | I606 R628 F682 | I606-L639 HydrophobicContact CD1-CD1 4.21Å; I606-L639 HydrophobicContact CD1-CD2 3.38Å; I606-L639 HydrophobicContact CD1-CG 4.41Å; I606-L639 HydrophobicContact CG1-CD2 4.47Å; R628-L639 HydrophobicContact CB-CD2 3.74Å; R628-L639 HydrophobicContact CG-CD2 3.97Å; L639-F682 HydrophobicContact CD1-CB 4.43Å |
| 640 | W | 88.4 | Confident | 82.2 | Confident | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 135.4 | 179.5 | -69.1 | -2.6 | 0 | 0 | 0 | 110.6 | F603 M626 V627 M629 C638 K644 F645 R648 M652 E676 | F603-W640 HydrophobicContact CE1-CE3 4.33Å; F603-W640 HydrophobicContact CE1-CH2 4.21Å; F603-W640 AromaticContact CE1-CZ3 3.77Å; F603-W640 HydrophobicContact CE1-CZ3 3.77Å; M626-W640 WeakPolarHBondContact CA-O 3.35Å; V627-W640 PolarHBondContact N-O 3.31Å; V627-W640 WeakPolarHBondContact O-CB 3.16Å; V627-W640 PolarHBondContact O-N 3.17Å; M629-W640 HydrophobicContact CE-CH2 3.04Å; M629-W640 HydrophobicContact CE-CZ2 3.13Å; M629-W640 HydrophobicContact CE-CZ3 3.81Å; M629-W640 HydrophobicContact SD-CZ2 4.24Å; C638-W640 PolarHBondContact SG-NE1 2.74Å; C638-W640 VanDerWaalsContact SG-NE1 3.39Å; W640-K644 HydrophobicContact CB-CB 4.5Å; W640-K644 HydrophobicContact CB-CD 4.39Å; W640-K644 HydrophobicContact CD2-CD 4.42Å; W640-K644 HydrophobicContact CD2-CG 4.42Å; W640-K644 HydrophobicContact CG-CD 4.02Å; W640-K644 HydrophobicContact CG-CG 4.32Å; W640-F645 HydrophobicContact CE3-CB 4.13Å; W640-F645 HydrophobicContact CE3-CD2 4.05Å; W640-F645 HydrophobicContact CZ3-CD2 4.34Å; W640-R648 HydrophobicContact CE3-CB 4.43Å; W640-R648 HydrophobicContact CE3-CG 4.45Å; W640-R648 HydrophobicContact CH2-CB 3.84Å; W640-R648 HydrophobicContact CH2-CG 3.68Å; W640-R648 HydrophobicContact CZ2-CG 4.41Å; W640-R648 HydrophobicContact CZ3-CB 3.54Å; W640-R648 HydrophobicContact CZ3-CG 3.73Å; W640-M652 HydrophobicContact CH2-CE 3.95Å; W640-M652 HydrophobicContact CZ3-CE 4Å; W640-E676 WeakPolarHBondContact CZ2-OE2 3.09Å; W640-E676 PolarHBondContact NE1-OE2 2.86Å |
| 641 | E | 87.7 | Confident | 81.7 | Confident | 103 Ų | 103 | 33.5 Ų | 33.5 | 48% | 0.481 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 152.5 | 165.2 | -66 | -165.4 | 153 | 0 | 0 | 110.5 | M626 E643 K644 F645 | M626-E641 HydrophobicContact CE-CB 4.31Å; M626-E641 HydrophobicContact CE-CG 3.62Å; M626-E641 HydrophobicContact SD-CB 4.26Å; M626-E641 HydrophobicContact SD-CG 3.84Å; E641-E643 VanDerWaalsContact C-N 3.25Å; E641-E643 PolarHBondContact O-N 3.27Å; E641-K644 PolarHBondContact O-N 2.99Å; E641-K644 VanDerWaalsContact O-N 3.15Å; E641-F645 PolarHBondContact O-N 2.93Å; E641-F645 VanDerWaalsContact O-N 3.07Å |
| 642 | R | 83.7 | Confident | 81.6 | Confident | 68 Ų | 68 | 33.1 Ų | 33.1 | 26% | 0.257 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -45.5 | -52 | 179.9 | -169.7 | -179.3 | 84.9 | -97.8 | -7.4 | 111.2 | L583 K644 F645 M646 | L583-R642 HydrophobicContact CD1-CG 4.3Å; R642-K644 PolarHBondContact O-N 3.43Å; R642-F645 WeakPolarHBondContact O-CB 3.46Å; R642-F645 PolarHBondContact O-N 3.06Å; R642-M646 VanDerWaalsContact O-CG 3.25Å; R642-M646 WeakPolarHBondContact O-CG 3.19Å; R642-M646 PolarHBondContact O-N 3.32Å |
| 643 | E | 77.6 | Confident | 81.2 | Confident | 74 Ų | 74 | 32.2 Ų | 32.2 | 35% | 0.346 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -62.4 | -45.6 | -175.5 | -64.7 | 173.9 | -172.8 | 0 | 0 | 112.3 | S234 T235 E641 F645 M646 T647 | S234-E643 WeakPolarHBondContact CB-OE2 3.47Å; T235-E643 VanDerWaalsContact CG2-C 3.42Å; T235-E643 HydrophobicContact CG2-CB 4.21Å; T235-E643 WeakPolarHBondContact CG2-O 3.38Å; E641-E643 VanDerWaalsContact C-N 3.25Å; E641-E643 PolarHBondContact O-N 3.27Å; E643-F645 VanDerWaalsContact C-N 3.32Å; E643-F645 PolarHBondContact O-N 2.68Å; E643-M646 WeakPolarHBondContact O-CB 3.47Å; E643-M646 PolarHBondContact O-N 3.13Å; E643-T647 PolarHBondContact O-N 2.76Å; E643-T647 VanDerWaalsContact O-N 3.11Å |
| 644 | K | 81.9 | Confident | 80.8 | Confident | 50 Ų | 50 | 30.5 Ų | 30.5 | 22% | 0.217 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -56.6 | -46.6 | 175.4 | -176.9 | 174.7 | -177.7 | 172.7 | 0 | 111 | W640 E641 R642 T647 R648 E676 | W640-K644 HydrophobicContact CB-CB 4.5Å; W640-K644 HydrophobicContact CB-CD 4.39Å; W640-K644 HydrophobicContact CD2-CD 4.42Å; W640-K644 HydrophobicContact CD2-CG 4.42Å; W640-K644 HydrophobicContact CG-CD 4.02Å; W640-K644 HydrophobicContact CG-CG 4.32Å; E641-K644 PolarHBondContact O-N 2.99Å; E641-K644 VanDerWaalsContact O-N 3.15Å; R642-K644 PolarHBondContact O-N 3.43Å; K644-T647 PolarHBondContact O-N 3.38Å; K644-R648 WeakPolarHBondContact O-CG 3.47Å; K644-R648 PolarHBondContact O-N 3.06Å; K644-E676 WeakPolarHBondContact CE-OE2 3.39Å; K644-E676 IonicContact NZ-OE1 3.77Å; K644-E676 PolarHBondContact NZ-OE1 2.85Å; K644-E676 IonicContact NZ-OE2 2.59Å; K644-E676 PolarHBondContact NZ-OE2 3.41Å |
| 645 | F | 87 | Confident | 80.7 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61 | -45.3 | 176.8 | 173.3 | -96.7 | 0 | 0 | 0 | 112.2 | L583 M586 V587 V590 F603 V627 W640 E641 R642 E643 T647 R648 R649 | L583-F645 HydrophobicContact CD1-CD1 3.38Å; L583-F645 HydrophobicContact CD1-CE1 3.63Å; L583-F645 HydrophobicContact CD1-CG 4.4Å; M586-F645 HydrophobicContact CB-CE1 3.82Å; M586-F645 HydrophobicContact CB-CZ 4.36Å; V587-F645 HydrophobicContact CB-CZ 4.32Å; V587-F645 HydrophobicContact CG2-CE1 3.88Å; V587-F645 HydrophobicContact CG2-CE2 4.07Å; V587-F645 HydrophobicContact CG2-CZ 3.53Å; V590-F645 HydrophobicContact CB-CE2 4.17Å; V590-F645 HydrophobicContact CB-CZ 4.13Å; V590-F645 HydrophobicContact CG1-CE2 4.18Å; V590-F645 HydrophobicContact CG2-CE2 4.04Å; V590-F645 HydrophobicContact CG2-CZ 3.8Å; F603-F645 HydrophobicContact CB-CE2 4.49Å; F603-F645 HydrophobicContact CD1-CD2 4.17Å; F603-F645 AromaticContact CD1-CE2 3.88Å; F603-F645 HydrophobicContact CD1-CE2 3.88Å; F603-F645 HydrophobicContact CE1-CE2 4.44Å; F603-F645 HydrophobicContact CG-CE2 4.37Å; V627-F645 HydrophobicContact CB-CB 4.04Å; V627-F645 HydrophobicContact CB-CD2 3.88Å; V627-F645 HydrophobicContact CB-CG 3.95Å; V627-F645 HydrophobicContact CG1-CD2 3.58Å; V627-F645 HydrophobicContact CG1-CE2 3.89Å; V627-F645 HydrophobicContact CG1-CG 4.15Å; V627-F645 HydrophobicContact CG2-CB 3.8Å; V627-F645 HydrophobicContact CG2-CD1 3.84Å; V627-F645 HydrophobicContact CG2-CD2 3.87Å; V627-F645 HydrophobicContact CG2-CE1 4.38Å; V627-F645 HydrophobicContact CG2-CE2 4.42Å; V627-F645 HydrophobicContact CG2-CG 3.53Å; W640-F645 HydrophobicContact CE3-CB 4.13Å; W640-F645 HydrophobicContact CE3-CD2 4.05Å; W640-F645 HydrophobicContact CZ3-CD2 4.34Å; E641-F645 PolarHBondContact O-N 2.93Å; E641-F645 VanDerWaalsContact O-N 3.07Å; R642-F645 WeakPolarHBondContact O-CB 3.46Å; R642-F645 PolarHBondContact O-N 3.06Å; E643-F645 VanDerWaalsContact C-N 3.32Å; E643-F645 PolarHBondContact O-N 2.68Å; F645-T647 VanDerWaalsContact C-N 3.32Å; F645-T647 PolarHBondContact O-N 3.38Å; F645-R648 PolarHBondContact O-N 3.05Å; F645-R649 WeakPolarHBondContact O-CB 3.48Å; F645-R649 PolarHBondContact O-N 3.46Å |
| 646 | M | 79 | Confident | 81 | Confident | 30 Ų | 30 | 29.6 Ų | 29.6 | 15% | 0.148 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -56.2 | -46.4 | 179.2 | -63.3 | -66.1 | -94.5 | 0 | 0 | 111.5 | E582 L583 M586 R642 E643 R649 F650 | E582-M646 HydrophobicContact CG-CE 4.17Å; E582-M646 WeakPolarHBondContact OE1-CE 3.34Å; L583-M646 HydrophobicContact CD1-SD 4.33Å; M586-M646 HydrophobicContact CE-CE 3.65Å; M586-M646 HydrophobicContact CE-SD 4.19Å; M586-M646 HydrophobicContact SD-CE 3.54Å; M586-M646 VanDerWaalsContact SD-CE 3.54Å; M586-M646 HydrophobicContact SD-SD 3.22Å; R642-M646 VanDerWaalsContact O-CG 3.25Å; R642-M646 WeakPolarHBondContact O-CG 3.19Å; R642-M646 PolarHBondContact O-N 3.32Å; E643-M646 WeakPolarHBondContact O-CB 3.47Å; E643-M646 PolarHBondContact O-N 3.13Å; M646-R649 WeakPolarHBondContact O-CB 3.35Å; M646-R649 PolarHBondContact O-N 3.19Å; M646-F650 WeakPolarHBondContact O-CD2 3.5Å; M646-F650 WeakPolarHBondContact O-CE2 3.46Å; M646-F650 PolarHBondContact O-N 3.42Å |
| 647 | T | 75.4 | Confident | 80.6 | Confident | 22 Ų | 22 | 31.4 Ų | 31.4 | 14% | 0.135 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68.6 | -40.5 | 178.7 | -67.4 | 0 | 0 | 0 | 0 | 112.5 | A232 T235 E643 K644 F645 R649 F650 L651 | A232-T647 PolarHBondContact O-OG1 2.72Å; T235-T647 VanDerWaalsContact CG2-CB 3.44Å; T235-T647 HydrophobicContact CG2-CG2 4.23Å; T235-T647 WeakPolarHBondContact CG2-OG1 3.33Å; E643-T647 PolarHBondContact O-N 2.76Å; E643-T647 VanDerWaalsContact O-N 3.11Å; K644-T647 PolarHBondContact O-N 3.38Å; F645-T647 VanDerWaalsContact C-N 3.32Å; F645-T647 PolarHBondContact O-N 3.38Å; T647-R649 VanDerWaalsContact C-N 3.34Å; T647-R649 PolarHBondContact O-N 2.86Å; T647-F650 PolarHBondContact O-N 2.89Å; T647-L651 PolarHBondContact O-N 2.79Å |
| 648 | R | 82.4 | Confident | 80.3 | Confident | 12 Ų | 12 | 32.9 Ų | 32.9 | 5% | 0.045 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.8 | -37.3 | 178.1 | -71.3 | -53.3 | -162.5 | 98.3 | 17.1 | 112.6 | R241 W640 K644 F645 F650 L651 M652 D672 P673 W675 E676 | R241-R648 VanDerWaalsContact NE-CZ 3.3Å; R241-R648 VanDerWaalsContact NH2-NH2 3.12Å; W640-R648 HydrophobicContact CE3-CB 4.43Å; W640-R648 HydrophobicContact CE3-CG 4.45Å; W640-R648 HydrophobicContact CH2-CB 3.84Å; W640-R648 HydrophobicContact CH2-CG 3.68Å; W640-R648 HydrophobicContact CZ2-CG 4.41Å; W640-R648 HydrophobicContact CZ3-CB 3.54Å; W640-R648 HydrophobicContact CZ3-CG 3.73Å; K644-R648 WeakPolarHBondContact O-CG 3.47Å; K644-R648 PolarHBondContact O-N 3.06Å; F645-R648 PolarHBondContact O-N 3.05Å; R648-F650 VanDerWaalsContact C-N 3.26Å; R648-F650 PolarHBondContact O-N 2.97Å; R648-L651 WeakPolarHBondContact O-CB 3.34Å; R648-L651 PolarHBondContact O-N 2.77Å; R648-L651 VanDerWaalsContact O-N 3.11Å; R648-M652 HydrophobicContact CB-CE 4.08Å; R648-M652 VanDerWaalsContact O-CG 3.24Å; R648-M652 WeakPolarHBondContact O-CG 3.5Å; R648-M652 PolarHBondContact O-N 2.89Å; R648-D672 PolarHBondContact NH1-O 3.06Å; R648-P673 VanDerWaalsContact NH1-CA 3.28Å; R648-P673 PolarHBondContact NH1-O 3.02Å; R648-W675 PolarHBondContact NH1-O 3.41Å; R648-E676 IonicContact CZ-OE2 3.81Å; R648-E676 IonicContact NH2-OE2 2.67Å; R648-E676 PolarHBondContact NH2-OE2 3.18Å |
| 649 | R | 81.2 | Confident | 79.9 | Confident | 10 Ų | 10 | 34.1 Ų | 34.1 | 4% | 0.038 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -52.1 | -44.5 | 172.5 | 166.7 | 178 | 176.5 | -107.6 | -14 | 111.7 | E190 M586 E589 V590 F645 M646 T647 L651 M652 Q653 | E190-R649 IonicContact OE1-CZ 2.89Å; E190-R649 IonicContact OE1-NH1 3.83Å; E190-R649 PolarHBondContact OE1-NH1 3.18Å; E190-R649 IonicContact OE1-NH2 2.7Å; M586-R649 PolarHBondContact SD-NH1 3.38Å; E589-R649 IonicContact OE1-NH2 3.99Å; E589-R649 IonicContact OE2-CZ 2.9Å; E589-R649 IonicContact OE2-NE 3.56Å; E589-R649 PolarHBondContact OE2-NE 3.35Å; E589-R649 IonicContact OE2-NH2 3.96Å; E589-R649 PolarHBondContact OE2-NH2 2.85Å; V590-R649 HydrophobicContact CG2-CB 3.74Å; V590-R649 HydrophobicContact CG2-CG 3.67Å; F645-R649 WeakPolarHBondContact O-CB 3.48Å; F645-R649 PolarHBondContact O-N 3.46Å; M646-R649 WeakPolarHBondContact O-CB 3.35Å; M646-R649 PolarHBondContact O-N 3.19Å; T647-R649 VanDerWaalsContact C-N 3.34Å; T647-R649 PolarHBondContact O-N 2.86Å; R649-L651 VanDerWaalsContact C-N 3.34Å; R649-L651 PolarHBondContact O-N 3.23Å; R649-M652 WeakPolarHBondContact O-CB 3.34Å; R649-M652 PolarHBondContact O-N 2.7Å; R649-M652 VanDerWaalsContact O-N 3.13Å; R649-Q653 HydrophobicContact CG-CG 4.48Å; R649-Q653 VanDerWaalsContact NH2-NE2 3.19Å; R649-Q653 WeakPolarHBondContact O-CG 3.34Å; R649-Q653 PolarHBondContact O-N 3.03Å |
| 650 | F | 69.5 | Low | 79.2 | Confident | 40 Ų | 40 | 35.6 Ų | 35.6 | 18% | 0.175 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61 | -42.9 | 178 | -59.4 | -42.4 | 0 | 0 | 0 | 112.8 | E190 R194 M646 T647 R648 M652 Q653 D654 | E190-F650 WeakPolarHBondContact OE1-CE1 3.3Å; R194-F650 VanDerWaalsContact CZ-CD1 3.48Å; R194-F650 VanDerWaalsContact CZ-CE1 3.44Å; R194-F650 VanDerWaalsContact NH2-CD1 3.3Å; M646-F650 WeakPolarHBondContact O-CD2 3.5Å; M646-F650 WeakPolarHBondContact O-CE2 3.46Å; M646-F650 PolarHBondContact O-N 3.42Å; T647-F650 PolarHBondContact O-N 2.89Å; R648-F650 VanDerWaalsContact C-N 3.26Å; R648-F650 PolarHBondContact O-N 2.97Å; F650-M652 VanDerWaalsContact C-N 3.28Å; F650-M652 PolarHBondContact O-N 3.12Å; F650-Q653 VanDerWaalsContact CD1-OE1 3.3Å; F650-Q653 PolarHBondContact O-N 2.82Å; F650-D654 PolarHBondContact O-N 2.96Å |
| 651 | L | 78 | Confident | 78.5 | Confident | 16 Ų | 16 | 39.6 Ų | 39.6 | 8% | 0.084 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.2 | -36.2 | 176.5 | -57.6 | 179.8 | 0 | 0 | 0 | 111.6 | R241 E244 T647 R648 R649 M655 P673 | R241-L651 HydrophobicContact CG-CD1 4.5Å; E244-L651 HydrophobicContact CB-CD2 4.23Å; E244-L651 HydrophobicContact CG-CD2 3.89Å; E244-L651 WeakPolarHBondContact OE2-CD2 3.06Å; T647-L651 PolarHBondContact O-N 2.79Å; R648-L651 WeakPolarHBondContact O-CB 3.34Å; R648-L651 PolarHBondContact O-N 2.77Å; R648-L651 VanDerWaalsContact O-N 3.11Å; R649-L651 VanDerWaalsContact C-N 3.34Å; R649-L651 PolarHBondContact O-N 3.23Å; L651-M655 VanDerWaalsContact O-CB 3.3Å; L651-M655 WeakPolarHBondContact O-CB 3.45Å; L651-M655 PolarHBondContact O-N 2.94Å; L651-P673 HydrophobicContact CB-CB 3.59Å; L651-P673 HydrophobicContact CB-CG 4.16Å; L651-P673 HydrophobicContact CD1-CB 4.43Å |
| 652 | M | 84.2 | Confident | 77.8 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.1 | -41.7 | 175.4 | -62.4 | 165.4 | 179.4 | 0 | 0 | 111.6 | V590 I593 F603 M629 W640 R648 R649 F650 M655 Y656 P673 F674 | V590-M652 HydrophobicContact CB-SD 4.22Å; V590-M652 HydrophobicContact CG1-CE 4.3Å; V590-M652 HydrophobicContact CG1-SD 3.26Å; V590-M652 WeakPolarHBondContact CG1-SD 3.43Å; V590-M652 HydrophobicContact CG2-SD 3.95Å; I593-M652 HydrophobicContact CD1-CB 4.46Å; I593-M652 HydrophobicContact CG2-CB 4.42Å; F603-M652 HydrophobicContact CE1-CE 3.9Å; F603-M652 HydrophobicContact CZ-CE 3.51Å; F603-M652 HydrophobicContact CZ-SD 4.13Å; M629-M652 HydrophobicContact CE-CE 4.45Å; W640-M652 HydrophobicContact CH2-CE 3.95Å; W640-M652 HydrophobicContact CZ3-CE 4Å; R648-M652 HydrophobicContact CB-CE 4.08Å; R648-M652 VanDerWaalsContact O-CG 3.24Å; R648-M652 WeakPolarHBondContact O-CG 3.5Å; R648-M652 PolarHBondContact O-N 2.89Å; R649-M652 WeakPolarHBondContact O-CB 3.34Å; R649-M652 PolarHBondContact O-N 2.7Å; R649-M652 VanDerWaalsContact O-N 3.13Å; F650-M652 VanDerWaalsContact C-N 3.28Å; F650-M652 PolarHBondContact O-N 3.12Å; M652-M655 PolarHBondContact O-N 3.49Å; M652-Y656 WeakPolarHBondContact O-CB 3.49Å; M652-Y656 PolarHBondContact O-N 3.3Å; M652-P673 HydrophobicContact CE-CB 4.36Å; M652-P673 WeakPolarHBondContact CE-O 3.42Å; M652-P673 HydrophobicContact CG-CB 3.75Å; M652-P673 HydrophobicContact CG-CG 3.94Å; M652-F674 HydrophobicContact CB-CE1 4.39Å; M652-F674 HydrophobicContact CB-CE2 3.97Å; M652-F674 HydrophobicContact CB-CZ 3.64Å; M652-F674 HydrophobicContact CE-CD1 3.83Å; M652-F674 HydrophobicContact CE-CE1 3.92Å; M652-F674 HydrophobicContact CE-CG 4.27Å; M652-F674 HydrophobicContact CE-CZ 4.46Å; M652-F674 HydrophobicContact CG-CD1 4.37Å; M652-F674 HydrophobicContact CG-CD2 4.2Å; M652-F674 HydrophobicContact CG-CE1 3.79Å; M652-F674 HydrophobicContact CG-CE2 3.62Å; M652-F674 HydrophobicContact CG-CZ 3.39Å; M652-F674 HydrophobicContact SD-CD1 4.19Å; M652-F674 HydrophobicContact SD-CE1 3.65Å; M652-F674 HydrophobicContact SD-CZ 3.87Å |
| 653 | Q | 75.7 | Confident | 77.4 | Confident | 24 Ų | 24 | 47 Ų | 47 | 11% | 0.112 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.5 | -42 | 175.4 | -71.7 | 170.7 | -51.4 | 0 | 0 | 112 | E190 E589 I593 R649 F650 Y656 Q657 | E190-Q653 PolarHBondContact OE2-NE2 2.93Å; E190-Q653 PolarHBondContact OE2-OE1 2.92Å; E190-Q653 VanDerWaalsContact OE2-OE1 3.1Å; E589-Q653 VanDerWaalsContact CD-NE2 3.26Å; E589-Q653 PolarHBondContact OE1-NE2 3.32Å; E589-Q653 PolarHBondContact OE2-NE2 3.3Å; I593-Q653 HydrophobicContact CD1-CB 4.43Å; I593-Q653 HydrophobicContact CD1-CG 3.73Å; R649-Q653 HydrophobicContact CG-CG 4.48Å; R649-Q653 VanDerWaalsContact NH2-NE2 3.19Å; R649-Q653 WeakPolarHBondContact O-CG 3.34Å; R649-Q653 PolarHBondContact O-N 3.03Å; F650-Q653 VanDerWaalsContact CD1-OE1 3.3Å; F650-Q653 PolarHBondContact O-N 2.82Å; Q653-Y656 WeakPolarHBondContact O-CB 3.35Å; Q653-Y656 PolarHBondContact O-N 2.85Å; Q653-Q657 WeakPolarHBondContact O-CB 3.37Å; Q653-Q657 PolarHBondContact O-N 3.36Å |
| 654 | D | 73.4 | Confident | 77.1 | Confident | 49 Ų | 49 | 47.6 Ų | 47.6 | 26% | 0.262 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.4 | -43.8 | 176 | -178.1 | 73.5 | 0 | 0 | 0 | 111.5 | F650 Y656 Q657 K658 | F650-D654 PolarHBondContact O-N 2.96Å; D654-Y656 VanDerWaalsContact C-N 3.29Å; D654-Y656 PolarHBondContact O-N 3.44Å; D654-Q657 PolarHBondContact O-N 3.17Å; D654-K658 WeakPolarHBondContact O-CG 3.44Å; D654-K658 PolarHBondContact O-N 3.46Å; D654-K658 WeakPolarHBondContact OD2-CD 3.49Å; D654-K658 WeakPolarHBondContact OD2-CE 3.44Å; D654-K658 IonicContact OD2-NZ 3.56Å; D654-K658 PolarHBondContact OD2-NZ 2.84Å |
| 655 | M | 78.9 | Confident | 76.8 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56.5 | -43.2 | 171.9 | -179.9 | -177 | -87.7 | 0 | 0 | 111.6 | L597 K599 L651 M652 K658 S659 L664 Y667 P673 F674 | L597-M655 HydrophobicContact CD1-CG 3.88Å; L597-M655 HydrophobicContact CD1-SD 3.94Å; K599-M655 WeakPolarHBondContact CE-SD 3.41Å; L651-M655 VanDerWaalsContact O-CB 3.3Å; L651-M655 WeakPolarHBondContact O-CB 3.45Å; L651-M655 PolarHBondContact O-N 2.94Å; M652-M655 PolarHBondContact O-N 3.49Å; M655-K658 PolarHBondContact O-N 3Å; M655-S659 PolarHBondContact O-N 3.17Å; M655-L664 HydrophobicContact CG-CD1 3.69Å; M655-L664 WeakPolarHBondContact O-CD1 3.35Å; M655-Y667 HydrophobicContact CE-CD1 3.77Å; M655-Y667 HydrophobicContact CE-CD2 3.49Å; M655-Y667 VanDerWaalsContact CE-CD2 3.49Å; M655-Y667 HydrophobicContact CE-CE1 3.71Å; M655-Y667 HydrophobicContact CE-CE2 3.45Å; M655-Y667 VanDerWaalsContact CE-CE2 3.45Å; M655-Y667 HydrophobicContact CE-CG 3.67Å; M655-Y667 HydrophobicContact CG-CE2 4.18Å; M655-P673 HydrophobicContact CE-CG 3.84Å; M655-P673 HydrophobicContact SD-CG 4.1Å; M655-F674 HydrophobicContact SD-CD2 4.06Å; M655-F674 HydrophobicContact SD-CE2 3.88Å |
| 656 | Y | 80.6 | Confident | 76.2 | Confident | 9 Ų | 9 | 60.3 Ų | 60.3 | 4% | 0.035 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.3 | -44.7 | 175.5 | -178 | -109.2 | 0 | 0 | 0 | 112.4 | L465 I593 E596 L597 M652 Q653 D654 K658 S659 L660 | L465-Y656 HydrophobicContact CD1-CE1 4.37Å; L465-Y656 HydrophobicContact CD2-CD1 4.28Å; L465-Y656 HydrophobicContact CD2-CD2 4.22Å; L465-Y656 HydrophobicContact CD2-CE1 3.78Å; L465-Y656 HydrophobicContact CD2-CE2 3.73Å; L465-Y656 HydrophobicContact CD2-CG 4.47Å; L465-Y656 VanDerWaalsContact CD2-CZ 3.47Å; L465-Y656 HydrophobicContact CG-CD1 4.46Å; L465-Y656 HydrophobicContact CG-CE1 3.86Å; I593-Y656 HydrophobicContact CG1-CG 4.29Å; I593-Y656 HydrophobicContact CG2-CD2 4.26Å; I593-Y656 HydrophobicContact CG2-CG 4.31Å; E596-Y656 HydrophobicContact CB-CE2 4.21Å; E596-Y656 HydrophobicContact CG-CE2 3.99Å; E596-Y656 WeakPolarHBondContact OE2-CE2 3.33Å; E596-Y656 VanDerWaalsContact OE2-CZ 3.26Å; E596-Y656 PolarHBondContact OE2-OH 2.94Å; L597-Y656 HydrophobicContact CD2-CD2 4.15Å; L597-Y656 HydrophobicContact CG-CD2 4.24Å; M652-Y656 WeakPolarHBondContact O-CB 3.49Å; M652-Y656 PolarHBondContact O-N 3.3Å; Q653-Y656 WeakPolarHBondContact O-CB 3.35Å; Q653-Y656 PolarHBondContact O-N 2.85Å; D654-Y656 VanDerWaalsContact C-N 3.29Å; D654-Y656 PolarHBondContact O-N 3.44Å; Y656-K658 PolarHBondContact O-N 2.99Å; Y656-S659 WeakPolarHBondContact O-CB 3.48Å; Y656-S659 PolarHBondContact O-N 2.86Å; Y656-S659 VanDerWaalsContact O-N 3.15Å; Y656-L660 HydrophobicContact CD1-CD1 3.98Å; Y656-L660 HydrophobicContact CD1-CG 4.43Å; Y656-L660 HydrophobicContact CE1-CD1 3.49Å; Y656-L660 VanDerWaalsContact CE1-CD1 3.49Å; Y656-L660 HydrophobicContact CE1-CG 4.06Å; Y656-L660 PolarHBondContact O-N 3.1Å |
| 657 | Q | 72.1 | Confident | 75.8 | Confident | 61 Ų | 61 | 61.7 Ų | 61.7 | 29% | 0.285 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 178 | -172.4 | 63.9 | 48 | 0 | 0 | 111.9 | Q653 D654 S659 L660 N661 | Q653-Q657 WeakPolarHBondContact O-CB 3.37Å; Q653-Q657 PolarHBondContact O-N 3.36Å; D654-Q657 PolarHBondContact O-N 3.17Å; Q657-S659 VanDerWaalsContact C-N 3.34Å; Q657-L660 PolarHBondContact O-N 3.16Å; Q657-N661 WeakPolarHBondContact O-CB 3.5Å; Q657-N661 PolarHBondContact O-N 3.39Å; Q657-N661 PolarHBondContact O-ND2 3.24Å |
| 658 | K | 76.6 | Confident | 75.8 | Confident | 47 Ų | 47 | 66.8 Ų | 66.8 | 20% | 0.204 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61 | -41.7 | 172.5 | -76.2 | 170 | 176 | 158.5 | 0 | 111.4 | E244 D654 M655 Y656 N661 K662 Q663 L664 Y667 | E244-K658 IonicContact OE1-NZ 2.73Å; E244-K658 PolarHBondContact OE1-NZ 3.35Å; D654-K658 WeakPolarHBondContact O-CG 3.44Å; D654-K658 PolarHBondContact O-N 3.46Å; D654-K658 WeakPolarHBondContact OD2-CD 3.49Å; D654-K658 WeakPolarHBondContact OD2-CE 3.44Å; D654-K658 IonicContact OD2-NZ 3.56Å; D654-K658 PolarHBondContact OD2-NZ 2.84Å; M655-K658 PolarHBondContact O-N 3Å; Y656-K658 PolarHBondContact O-N 2.99Å; K658-N661 CarbonylContact O-C 3.6Å; K658-N661 PolarHBondContact O-N 3.33Å; K658-K662 PolarHBondContact O-N 2.82Å; K658-K662 VanDerWaalsContact O-N 3.12Å; K658-Q663 CarbonylContact O-C 3.52Å; K658-Q663 PolarHBondContact O-N 3.13Å; K658-L664 HydrophobicContact CB-CD1 4.45Å; K658-L664 PolarHBondContact O-N 3.45Å; K658-Y667 WeakPolarHBondContact CD-OH 3.35Å |
| 659 | S | 77.6 | Confident | 75.5 | Confident | 44 Ų | 44 | 71.6 Ų | 71.6 | 31% | 0.308 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.1 | -48.2 | 174.1 | -174.8 | 0 | 0 | 0 | 0 | 112.5 | M655 Y656 Q657 N661 K662 | M655-S659 PolarHBondContact O-N 3.17Å; Y656-S659 WeakPolarHBondContact O-CB 3.48Å; Y656-S659 PolarHBondContact O-N 2.86Å; Y656-S659 VanDerWaalsContact O-N 3.15Å; Q657-S659 VanDerWaalsContact C-N 3.34Å; S659-N661 PolarHBondContact O-N 3.06Å; S659-K662 PolarHBondContact O-N 3.37Å |
| 660 | L | 72.6 | Confident | 75.1 | Confident | 85 Ų | 85 | 78.2 Ų | 78.2 | 45% | 0.445 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -58.3 | -37.7 | 176 | -71.8 | 177.7 | 0 | 0 | 0 | 112.5 | Y656 Q657 K662 | Y656-L660 HydrophobicContact CD1-CD1 3.98Å; Y656-L660 HydrophobicContact CD1-CG 4.43Å; Y656-L660 HydrophobicContact CE1-CD1 3.49Å; Y656-L660 VanDerWaalsContact CE1-CD1 3.49Å; Y656-L660 HydrophobicContact CE1-CG 4.06Å; Y656-L660 PolarHBondContact O-N 3.1Å; Q657-L660 PolarHBondContact O-N 3.16Å; L660-K662 PolarHBondContact O-N 3.49Å |
| 661 | N | 72.8 | Confident | 75.4 | Confident | 86 Ų | 86 | 77.7 Ų | 77.7 | 46% | 0.46 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 0.8 | 177.3 | -68.3 | -17.5 | 0 | 0 | 0 | 113.6 | Q657 K658 S659 Q663 | Q657-N661 WeakPolarHBondContact O-CB 3.5Å; Q657-N661 PolarHBondContact O-N 3.39Å; Q657-N661 PolarHBondContact O-ND2 3.24Å; K658-N661 CarbonylContact O-C 3.6Å; K658-N661 PolarHBondContact O-N 3.33Å; S659-N661 PolarHBondContact O-N 3.06Å; N661-Q663 HydrophobicContact CB-CB 4.47Å; N661-Q663 HydrophobicContact CB-CG 4.23Å; N661-Q663 PolarHBondContact O-N 3.26Å |
| 662 | K | 74.6 | Confident | 75.7 | Confident | 198 Ų | 198 | 78.2 Ų | 78.2 | 86% | 0.861 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 30.8 | -172.9 | -53.9 | -179.1 | 179.9 | -179 | 0 | 113.6 | K658 S659 L660 | K658-K662 PolarHBondContact O-N 2.82Å; K658-K662 VanDerWaalsContact O-N 3.12Å; S659-K662 PolarHBondContact O-N 3.37Å; L660-K662 PolarHBondContact O-N 3.49Å |
| 663 | Q | 73.5 | Confident | 75.8 | Confident | 128 Ų | 128 | 78.3 Ų | 78.3 | 60% | 0.598 | 39% | 0.387 | S | S | * | . | trans | -110.9 | 24.4 | 177.6 | -67.3 | 179.4 | -18.6 | 0 | 0 | 111.5 | K658 N661 E665 | K658-Q663 CarbonylContact O-C 3.52Å; K658-Q663 PolarHBondContact O-N 3.13Å; N661-Q663 HydrophobicContact CB-CB 4.47Å; N661-Q663 HydrophobicContact CB-CG 4.23Å; N661-Q663 PolarHBondContact O-N 3.26Å; Q663-E665 PolarHBondContact O-N 3.46Å | ||
| 664 | L | 73.3 | Confident | 76.4 | Confident | 87 Ų | 87 | 77.2 Ų | 77.2 | 46% | 0.455 | 38% | 0.382 | S | S | . | . | trans | -72.2 | 116.6 | 178.3 | -165.3 | 72.3 | 0 | 0 | 0 | 109.1 | M655 K658 Y667 | M655-L664 HydrophobicContact CG-CD1 3.69Å; M655-L664 WeakPolarHBondContact O-CD1 3.35Å; K658-L664 HydrophobicContact CB-CD1 4.45Å; K658-L664 PolarHBondContact O-N 3.45Å; L664-Y667 HydrophobicContact CD1-CE2 3.86Å; L664-Y667 HydrophobicContact CG-CE2 4.45Å | ||
| 665 | E | 74.3 | Confident | 77 | Confident | 144 Ų | 144 | 77.7 Ų | 77.7 | 67% | 0.673 | 38% | 0.38 | S | S | * | . | trans | -86.9 | 160.7 | 174.8 | -65.5 | 175.9 | 178.3 | 0 | 0 | 110.6 | Q663 Y667 | Q663-E665 PolarHBondContact O-N 3.46Å; E665-Y667 WeakPolarHBondContact O-CD2 3.32Å; E665-Y667 VanDerWaalsContact O-CE2 3.3Å; E665-Y667 WeakPolarHBondContact O-CE2 3.32Å; E665-Y667 PolarHBondContact O-N 2.87Å | ||
| 666 | D | 73.7 | Confident | 77.2 | Confident | 174 Ų | 174 | 79 Ų | 79 | 93% | 0.93 | 39% | 0.386 | S | S | * | . | trans | -71.7 | 114.9 | 169.3 | -74.6 | -33.4 | 0 | 0 | 0 | 109.4 | ||||
| 667 | Y | 72 | Confident | 77.2 | Confident | 59 Ų | 59 | 81.4 Ų | 81.4 | 23% | 0.231 | 40% | 0.402 | C | S | . | . | trans | -83.5 | 133.2 | 178.1 | -70.2 | -103.5 | 0 | 0 | 0 | 110 | M655 K658 L664 E665 | M655-Y667 HydrophobicContact CE-CD1 3.77Å; M655-Y667 HydrophobicContact CE-CD2 3.49Å; M655-Y667 VanDerWaalsContact CE-CD2 3.49Å; M655-Y667 HydrophobicContact CE-CE1 3.71Å; M655-Y667 HydrophobicContact CE-CE2 3.45Å; M655-Y667 VanDerWaalsContact CE-CE2 3.45Å; M655-Y667 HydrophobicContact CE-CG 3.67Å; M655-Y667 HydrophobicContact CG-CE2 4.18Å; K658-Y667 WeakPolarHBondContact CD-OH 3.35Å; L664-Y667 HydrophobicContact CD1-CE2 3.86Å; L664-Y667 HydrophobicContact CG-CE2 4.45Å; E665-Y667 WeakPolarHBondContact O-CD2 3.32Å; E665-Y667 VanDerWaalsContact O-CE2 3.3Å; E665-Y667 WeakPolarHBondContact O-CE2 3.32Å; E665-Y667 PolarHBondContact O-N 2.87Å | ||
| 668 | L | 75.5 | Confident | 77.6 | Confident | 128 Ų | 128 | 81.8 Ų | 81.8 | 67% | 0.67 | 41% | 0.406 | S | S | * | . | trans | -58.9 | 145.6 | 159.2 | -66.5 | 175.3 | 0 | 0 | 0 | 108.9 | E670 S671 D672 | L668-E670 PolarHBondContact O-N 3.17Å; L668-S671 CarbonylContact O-C 3.59Å; L668-S671 WeakPolarHBondContact O-CA 3.45Å; L668-S671 WeakPolarHBondContact O-CB 3.45Å; L668-S671 PolarHBondContact O-N 2.8Å; L668-D672 PolarHBondContact O-N 3.31Å | ||
| 669 | Q | 74.8 | Confident | 77.9 | Confident | 114 Ų | 114 | 84.7 Ų | 84.7 | 53% | 0.533 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -52.4 | -41.6 | -178.4 | 178.9 | 173.2 | -42.4 | 0 | 0 | 112.7 | S671 D672 W675 | Q669-S671 PolarHBondContact O-N 3.48Å; Q669-D672 PolarHBondContact O-N 3.41Å; Q669-W675 HydrophobicContact CG-CD2 3.48Å; Q669-W675 VanDerWaalsContact CG-CD2 3.48Å; Q669-W675 VanDerWaalsContact CG-CE2 3.5Å; Q669-W675 HydrophobicContact CG-CE3 3.98Å; Q669-W675 HydrophobicContact CG-CG 3.73Å; Q669-W675 HydrophobicContact CG-CH2 4.47Å; Q669-W675 HydrophobicContact CG-CZ2 4.05Å; Q669-W675 HydrophobicContact CG-CZ3 4.43Å; Q669-W675 VanDerWaalsContact NE2-NE1 3.2Å |
| 670 | E | 73.6 | Confident | 78.2 | Confident | 148 Ų | 148 | 85.6 Ų | 85.6 | 69% | 0.692 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -68.7 | -22.2 | 177.1 | -63.3 | -179.8 | -178 | 0 | 0 | 113.6 | R241 L668 W675 | R241-E670 PolarHBondContact NE-O 3.41Å; R241-E670 PolarHBondContact NH1-O 3.18Å; R241-E670 PolarHBondContact NH2-O 3.39Å; L668-E670 PolarHBondContact O-N 3.17Å; E670-W675 HydrophobicContact CG-CZ3 4.39Å |
| 671 | S | 76.4 | Confident | 78.7 | Confident | 29 Ų | 29 | 82.1 Ų | 82.1 | 20% | 0.203 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -91.1 | -11.8 | 176.4 | -58.8 | 0 | 0 | 0 | 0 | 112.5 | L668 Q669 P673 | L668-S671 CarbonylContact O-C 3.59Å; L668-S671 WeakPolarHBondContact O-CA 3.45Å; L668-S671 WeakPolarHBondContact O-CB 3.45Å; L668-S671 PolarHBondContact O-N 2.8Å; Q669-S671 PolarHBondContact O-N 3.48Å; S671-P673 WeakPolarHBondContact O-CD 3.23Å |
| 672 | D | 83.6 | Confident | 79.3 | Confident | 27 Ų | 27 | 78.7 Ų | 78.7 | 14% | 0.144 | 39% | 0.385 | C | S | . | . | trans | -68.8 | 120.7 | 176.6 | -169 | -24.8 | 0 | 0 | 0 | 109.8 | R241 K599 R648 L668 Q669 F674 W675 | R241-D672 PolarHBondContact NH2-O 2.81Å; K599-D672 IonicContact NZ-OD1 3.83Å; K599-D672 IonicContact NZ-OD2 2.64Å; K599-D672 PolarHBondContact NZ-OD2 3.46Å; R648-D672 PolarHBondContact NH1-O 3.06Å; L668-D672 PolarHBondContact O-N 3.31Å; Q669-D672 PolarHBondContact O-N 3.41Å; D672-F674 PolarHBondContact O-N 2.83Å; D672-F674 WeakPolarHBondContact OD1-CB 2.72Å; D672-F674 PolarHBondContact OD1-N 3.05Å; D672-W675 HydrophobicContact CB-CB 3.93Å; D672-W675 PolarHBondContact O-N 3.41Å | ||
| 673 | P | 85.8 | Confident | 79.8 | Confident | 2 Ų | 2 | 69.4 Ų | 69.4 | 1% | 0.013 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -20.1 | 178 | 28.8 | -35.9 | 0 | 0 | 0 | 113.7 | R648 L651 M652 M655 S671 W675 | R648-P673 VanDerWaalsContact NH1-CA 3.28Å; R648-P673 PolarHBondContact NH1-O 3.02Å; L651-P673 HydrophobicContact CB-CB 3.59Å; L651-P673 HydrophobicContact CB-CG 4.16Å; L651-P673 HydrophobicContact CD1-CB 4.43Å; M652-P673 HydrophobicContact CE-CB 4.36Å; M652-P673 WeakPolarHBondContact CE-O 3.42Å; M652-P673 HydrophobicContact CG-CB 3.75Å; M652-P673 HydrophobicContact CG-CG 3.94Å; M655-P673 HydrophobicContact CE-CG 3.84Å; M655-P673 HydrophobicContact SD-CG 4.1Å; S671-P673 WeakPolarHBondContact O-CD 3.23Å; P673-W675 VanDerWaalsContact C-N 3.35Å |
| 674 | F | 89.4 | Confident | 80.5 | Confident | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.009 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 1.6 | 177.4 | -66.3 | -81.7 | 0 | 0 | 0 | 113.9 | V590 I593 A594 L597 K599 R601 F603 M652 M655 D672 | V590-F674 HydrophobicContact CG1-CE1 4.39Å; I593-F674 HydrophobicContact CB-CZ 4.49Å; I593-F674 HydrophobicContact CG2-CE2 4.45Å; I593-F674 HydrophobicContact CG2-CZ 3.83Å; A594-F674 HydrophobicContact CB-CD1 4.23Å; A594-F674 HydrophobicContact CB-CE1 3.66Å; A594-F674 HydrophobicContact CB-CZ 4.37Å; L597-F674 HydrophobicContact CD1-CE2 4.33Å; K599-F674 HydrophobicContact CB-CB 4.26Å; K599-F674 HydrophobicContact CB-CD1 4.03Å; K599-F674 HydrophobicContact CB-CD2 4.16Å; K599-F674 HydrophobicContact CB-CE1 4.45Å; K599-F674 HydrophobicContact CB-CG 3.87Å; K599-F674 HydrophobicContact CD-CB 4.23Å; K599-F674 HydrophobicContact CD-CD2 3.72Å; K599-F674 HydrophobicContact CD-CE2 4.35Å; K599-F674 HydrophobicContact CD-CG 4.07Å; K599-F674 HydrophobicContact CG-CB 4.38Å; K599-F674 HydrophobicContact CG-CD1 4.29Å; K599-F674 HydrophobicContact CG-CD2 3.55Å; K599-F674 HydrophobicContact CG-CE2 3.8Å; K599-F674 HydrophobicContact CG-CG 3.81Å; K599-F674 HydrophobicContact CG-CZ 4.28Å; R601-F674 HydrophobicContact CB-CD1 4.13Å; R601-F674 HydrophobicContact CG-CB 3.99Å; R601-F674 HydrophobicContact CG-CD1 4.07Å; R601-F674 HydrophobicContact CG-CG 4.47Å; R601-F674 PolarHBondContact NE-O 3.1Å; F603-F674 AromaticContact CE2-CD1 4Å; F603-F674 HydrophobicContact CE2-CD1 4Å; F603-F674 HydrophobicContact CE2-CE1 4Å; F603-F674 AromaticContact CZ-CD1 3.91Å; F603-F674 HydrophobicContact CZ-CD1 3.91Å; F603-F674 HydrophobicContact CZ-CE1 4.16Å; M652-F674 HydrophobicContact CB-CE1 4.39Å; M652-F674 HydrophobicContact CB-CE2 3.97Å; M652-F674 HydrophobicContact CB-CZ 3.64Å; M652-F674 HydrophobicContact CE-CD1 3.83Å; M652-F674 HydrophobicContact CE-CE1 3.92Å; M652-F674 HydrophobicContact CE-CG 4.27Å; M652-F674 HydrophobicContact CE-CZ 4.46Å; M652-F674 HydrophobicContact CG-CD1 4.37Å; M652-F674 HydrophobicContact CG-CD2 4.2Å; M652-F674 HydrophobicContact CG-CE1 3.79Å; M652-F674 HydrophobicContact CG-CE2 3.62Å; M652-F674 HydrophobicContact CG-CZ 3.39Å; M652-F674 HydrophobicContact SD-CD1 4.19Å; M652-F674 HydrophobicContact SD-CE1 3.65Å; M652-F674 HydrophobicContact SD-CZ 3.87Å; M655-F674 HydrophobicContact SD-CD2 4.06Å; M655-F674 HydrophobicContact SD-CE2 3.88Å; D672-F674 PolarHBondContact O-N 2.83Å; D672-F674 WeakPolarHBondContact OD1-CB 2.72Å; D672-F674 PolarHBondContact OD1-N 3.05Å |
| 675 | W | 84.9 | Confident | 81.4 | Confident | 59 Ų | 59 | 59.2 Ų | 59.2 | 22% | 0.223 | 30% | 0.295 | C | S | . | . | trans | -113.6 | 142.3 | -178.8 | -171 | 90.1 | 0 | 0 | 0 | 112.7 | R241 R648 Q669 E670 D672 P673 P677 | R241-W675 PolarHBondContact NH2-O 3.48Å; R241-W675 VanDerWaalsContact NH2-O 3.12Å; R648-W675 PolarHBondContact NH1-O 3.41Å; Q669-W675 HydrophobicContact CG-CD2 3.48Å; Q669-W675 VanDerWaalsContact CG-CD2 3.48Å; Q669-W675 VanDerWaalsContact CG-CE2 3.5Å; Q669-W675 HydrophobicContact CG-CE3 3.98Å; Q669-W675 HydrophobicContact CG-CG 3.73Å; Q669-W675 HydrophobicContact CG-CH2 4.47Å; Q669-W675 HydrophobicContact CG-CZ2 4.05Å; Q669-W675 HydrophobicContact CG-CZ3 4.43Å; Q669-W675 VanDerWaalsContact NE2-NE1 3.2Å; E670-W675 HydrophobicContact CG-CZ3 4.39Å; D672-W675 HydrophobicContact CB-CB 3.93Å; D672-W675 PolarHBondContact O-N 3.41Å; P673-W675 VanDerWaalsContact C-N 3.35Å; W675-P677 HydrophobicContact CH2-CB 4.07Å | ||
| 676 | E | 83.6 | Confident | 82.2 | Confident | 29 Ų | 29 | 52.4 Ų | 52.4 | 14% | 0.136 | 26% | 0.263 | C | S | . | . | trans | -144 | 142.8 | 177.2 | -162.3 | 70.6 | -135.1 | 0 | 0 | 108.9 | W640 K644 R648 | W640-E676 WeakPolarHBondContact CZ2-OE2 3.09Å; W640-E676 PolarHBondContact NE1-OE2 2.86Å; K644-E676 WeakPolarHBondContact CE-OE2 3.39Å; K644-E676 IonicContact NZ-OE1 3.77Å; K644-E676 PolarHBondContact NZ-OE1 2.85Å; K644-E676 IonicContact NZ-OE2 2.59Å; K644-E676 PolarHBondContact NZ-OE2 3.41Å; R648-E676 IonicContact CZ-OE2 3.81Å; R648-E676 IonicContact NH2-OE2 2.67Å; R648-E676 PolarHBondContact NH2-OE2 3.18Å | ||
| 677 | P | 80.9 | Confident | 83.1 | Confident | 58 Ų | 58 | 44.4 Ų | 44.4 | 38% | 0.377 | 22% | 0.22 | S | C | . | . | trans | -57.4 | 147.2 | 168.1 | 25.6 | -35.7 | 0 | 0 | 0 | 110.9 | W675 E679 | W675-P677 HydrophobicContact CH2-CB 4.07Å; P677-E679 PolarHBondContact O-N 3.1Å | ||
| 678 | L | 79.6 | Confident | 84.1 | Confident | 69 Ų | 69 | 41.7 Ų | 41.7 | 36% | 0.361 | 21% | 0.21 | S | C | . | . | trans | -70.6 | 122.3 | 176.7 | -65.6 | 176.9 | 0 | 0 | 0 | 110.1 | Q636 Q833 E835 | Q636-L678 HydrophobicContact CB-CD2 4.17Å; Q636-L678 HydrophobicContact CG-CD2 4.01Å; L678-Q833 HydrophobicContact CB-CB 4.46Å; L678-Q833 HydrophobicContact CD2-CB 4.42Å; L678-E835 HydrophobicContact CD1-CG 3.81Å | ||
| 679 | E | 83 | Confident | 84.9 | Confident | 108 Ų | 108 | 36.3 Ų | 36.3 | 51% | 0.505 | 18% | 0.181 | S | C | . | . | trans | -106.7 | 163 | 170.8 | -65.9 | 178.1 | 179.5 | 0 | 0 | 109.6 | P677 L681 Q833 | P677-E679 PolarHBondContact O-N 3.1Å; E679-L681 PolarHBondContact O-N 2.81Å; E679-Q833 PolarHBondContact O-NE2 2.79Å | ||
| 680 | D | 83.7 | Confident | 85.8 | Confident | 63 Ų | 63 | 30.9 Ų | 30.9 | 34% | 0.337 | 16% | 0.156 | S | C | . | . | P | Polyproline II helix | trans | -60.4 | 130.8 | 173.4 | -71.9 | -13 | 0 | 0 | 0 | 109.8 | Y830 C831 S832 | D680-Y830 HydrophobicContact CB-CD1 4.12Å; D680-Y830 WeakPolarHBondContact O-CD1 3.41Å; D680-C831 CarbonylContact C-O 3.53Å; D680-C831 WeakPolarHBondContact CA-O 3.32Å; D680-S832 WeakPolarHBondContact OD1-CA 3.49Å |
| 681 | L | 84.4 | Confident | 86.8 | Confident | 13 Ų | 13 | 25 Ų | 25 | 7% | 0.068 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 127.4 | -179.9 | -179 | 64.3 | 0 | 0 | 0 | 110.4 | M637 E679 I683 Y830 C831 Q833 F842 | M637-L681 HydrophobicContact CB-CD1 3.89Å; E679-L681 PolarHBondContact O-N 2.81Å; L681-I683 HydrophobicContact CD2-CD1 4Å; L681-I683 HydrophobicContact CG-CD1 4.24Å; L681-I683 PolarHBondContact O-N 2.85Å; L681-Y830 CarbonylContact O-C 3.53Å; L681-Y830 WeakPolarHBondContact O-CA 3.49Å; L681-C831 PolarHBondContact N-O 2.86Å; L681-C831 PolarHBondContact O-N 2.95Å; L681-Q833 HydrophobicContact CB-CG 3.84Å; L681-F842 HydrophobicContact CD2-CD1 3.67Å; L681-F842 HydrophobicContact CD2-CE1 3.33Å; L681-F842 HydrophobicContact CD2-CZ 4.42Å |
| 682 | F | 84.7 | Confident | 87.5 | Confident | 13 Ų | 13 | 23.8 Ų | 23.8 | 6% | 0.057 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 118.9 | 167.1 | 176.5 | -99.5 | 0 | 0 | 0 | 110.5 | A612 L639 G684 I685 M828 Y830 | A612-F682 HydrophobicContact CB-CZ 4.07Å; L639-F682 HydrophobicContact CD1-CB 4.43Å; F682-G684 WeakPolarHBondContact CE2-O 3.47Å; F682-I685 HydrophobicContact CE2-CG2 3.9Å; F682-I685 HydrophobicContact CZ-CG2 3.67Å; F682-M828 HydrophobicContact CE2-CB 4.29Å; F682-Y830 HydrophobicContact CB-CD1 4.18Å; F682-Y830 HydrophobicContact CB-CE1 3.72Å; F682-Y830 HydrophobicContact CD2-CD2 4.37Å; F682-Y830 HydrophobicContact CD2-CE1 4.23Å; F682-Y830 AromaticContact CD2-CE2 3.77Å; F682-Y830 HydrophobicContact CD2-CE2 3.77Å; F682-Y830 AromaticContact CD2-CZ 3.68Å; F682-Y830 HydrophobicContact CG-CE1 4.49Å |
| 683 | I | 85.5 | Confident | 88 | Confident | 4 Ų | 4 | 22.5 Ų | 22.5 | 2% | 0.021 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | -51.2 | 179 | -60.1 | -60 | 0 | 0 | 0 | 110.3 | L681 L713 L770 Y780 I829 C831 | L681-I683 HydrophobicContact CD2-CD1 4Å; L681-I683 HydrophobicContact CG-CD1 4.24Å; L681-I683 PolarHBondContact O-N 2.85Å; I683-L713 HydrophobicContact CG2-CD1 3.59Å; I683-L713 WeakPolarHBondContact O-CD1 3.49Å; I683-L770 HydrophobicContact CG2-CD1 4.48Å; I683-L770 HydrophobicContact CG2-CD2 4.47Å; I683-Y780 HydrophobicContact CG1-CE1 4.29Å; I683-I829 HydrophobicContact CB-CB 4.31Å; I683-I829 HydrophobicContact CB-CG2 4.03Å; I683-I829 WeakPolarHBondContact CB-O 3.39Å; I683-I829 HydrophobicContact CG1-CG2 4.33Å; I683-I829 HydrophobicContact CG2-CG2 4.42Å; I683-I829 PolarHBondContact N-O 3.22Å; I683-C831 HydrophobicContact CD1-CB 3.72Å; I683-C831 HydrophobicContact CG1-CB 3.68Å |
| 684 | G | 88.4 | Confident | 88.3 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.8 | -177.7 | -175 | 0 | 0 | 0 | 0 | 0 | 114.4 | F682 M706 I829 | F682-G684 WeakPolarHBondContact CE2-O 3.47Å; G684-M706 CarbonylContact C-O 3.51Å; G684-M706 WeakPolarHBondContact CA-O 3.21Å; G684-I829 PolarHBondContact N-O 3.31Å; G684-I829 PolarHBondContact O-N 3.41Å |
| 685 | I | 90.8 | Very high | 88.4 | Confident | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 150.7 | 176.4 | 65.6 | 174 | 0 | 0 | 0 | 112.2 | A612 F682 M706 F827 M828 L858 | A612-I685 HydrophobicContact CB-CG2 4.02Å; F682-I685 HydrophobicContact CE2-CG2 3.9Å; F682-I685 HydrophobicContact CZ-CG2 3.67Å; I685-M706 HydrophobicContact CG1-CE 4.49Å; I685-M706 PolarHBondContact N-O 2.75Å; I685-M706 PolarHBondContact O-N 3.45Å; I685-F827 CarbonylContact C-O 3.46Å; I685-F827 WeakPolarHBondContact CA-O 3.45Å; I685-M828 HydrophobicContact CG2-CG 4.11Å; I685-L858 HydrophobicContact CD1-CD2 3.68Å; I685-L858 HydrophobicContact CG1-CD2 4.12Å |
| 686 | A | 92.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 102.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | L703 I716 F827 I829 | A686-L703 HydrophobicContact CB-CB 4.03Å; A686-L703 HydrophobicContact CB-CD1 4.47Å; A686-I716 HydrophobicContact CB-CG2 3.47Å; A686-I716 VanDerWaalsContact CB-CG2 3.47Å; A686-F827 HydrophobicContact CB-CB 4.37Å; A686-F827 PolarHBondContact N-O 2.95Å; A686-F827 WeakPolarHBondContact O-CD2 3.2Å; A686-F827 PolarHBondContact O-N 2.81Å; A686-I829 HydrophobicContact CB-CD1 4.33Å |
| 687 | P | 91.4 | Very high | 89 | Confident | 7 Ų | 7 | 22.2 Ų | 22.2 | 5% | 0.045 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 122.4 | -177.9 | 30.9 | -32.3 | 0 | 0 | 0 | 112.1 | M706 F824 L863 | P687-M706 HydrophobicContact CG-CE 4.14Å; P687-F824 HydrophobicContact CB-CB 4.41Å; P687-F824 HydrophobicContact CB-CD2 3.5Å; P687-F824 HydrophobicContact CB-CE2 3.91Å; P687-F824 HydrophobicContact CB-CG 3.99Å; P687-L863 HydrophobicContact CG-CD1 3.95Å |
| 688 | A | 93 | Very high | 89.3 | Confident | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.008 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 106.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L703 L720 F824 I825 F827 | A688-L703 HydrophobicContact CB-CD1 3.63Å; A688-L720 HydrophobicContact CB-CD1 4.22Å; A688-F824 CarbonylContact O-C 3.04Å; A688-F824 WeakPolarHBondContact O-CA 3.2Å; A688-F824 VanDerWaalsContact O-CB 3.27Å; A688-F824 WeakPolarHBondContact O-CB 3.45Å; A688-I825 PolarHBondContact N-O 2.99Å; A688-I825 PolarHBondContact O-N 2.77Å; A688-F827 HydrophobicContact CB-CD2 4.17Å; A688-F827 HydrophobicContact CB-CE2 3.63Å |
| 689 | F | 92.8 | Very high | 89.8 | Confident | 16 Ų | 16 | 17.9 Ų | 17.9 | 7% | 0.07 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 139.2 | -177.4 | -64.8 | -83.3 | 0 | 0 | 0 | 112.6 | F824 V860 L863 D864 S867 | F689-F824 HydrophobicContact CD1-CB 3.87Å; F689-F824 HydrophobicContact CD1-CD1 4.26Å; F689-F824 HydrophobicContact CD1-CG 4.46Å; F689-F824 HydrophobicContact CE1-CB 4.17Å; F689-F824 AromaticContact CE1-CD1 3.84Å; F689-F824 HydrophobicContact CE1-CD1 3.84Å; F689-F824 HydrophobicContact CE1-CG 4.28Å; F689-F824 HydrophobicContact CG-CB 4.24Å; F689-V860 HydrophobicContact CE1-CG1 4.22Å; F689-V860 HydrophobicContact CZ-CG1 3.82Å; F689-L863 VanDerWaalsContact CE2-C 3.5Å; F689-L863 HydrophobicContact CE2-CB 3.77Å; F689-L863 WeakPolarHBondContact CE2-O 3.12Å; F689-L863 HydrophobicContact CZ-CB 4.01Å; F689-D864 HydrophobicContact CD1-CB 4.09Å; F689-D864 WeakPolarHBondContact CD1-OD1 3.39Å; F689-D864 VanDerWaalsContact CE1-CA 3.46Å; F689-D864 HydrophobicContact CE1-CB 3.34Å; F689-D864 WeakPolarHBondContact CE1-OD1 3.32Å; F689-D864 HydrophobicContact CZ-CB 3.59Å; F689-S867 VanDerWaalsContact CB-OG 3.29Å; F689-S867 WeakPolarHBondContact CB-OG 3.27Å |
| 690 | L | 94.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.066 | C | C | . | . | trans | -95.5 | -4.1 | -169.3 | -58.5 | 176.3 | 0 | 0 | 0 | 114.2 | A692 L693 L720 Y819 F820 E823 I825 | L690-A692 PolarHBondContact O-N 2.83Å; L690-A692 VanDerWaalsContact O-N 3.12Å; L690-L693 HydrophobicContact CB-CD1 4.49Å; L690-L693 HydrophobicContact CD2-CD1 3.85Å; L690-L693 VanDerWaalsContact O-CB 3.29Å; L690-L693 WeakPolarHBondContact O-CB 3.48Å; L690-L693 PolarHBondContact O-N 2.91Å; L690-L720 HydrophobicContact CD2-CD1 3.8Å; L690-Y819 HydrophobicContact CD1-CD1 3.85Å; L690-Y819 HydrophobicContact CD1-CE1 3.22Å; L690-Y819 HydrophobicContact CD1-CE2 4.15Å; L690-F820 CarbonylContact C-O 3.49Å; L690-F820 HydrophobicContact CB-CB 4.49Å; L690-F820 HydrophobicContact CB-CD1 4.18Å; L690-F820 HydrophobicContact CD1-CD1 4.34Å; L690-E823 PolarHBondContact N-O 3.46Å; L690-E823 VanDerWaalsContact N-O 3.14Å; L690-I825 HydrophobicContact CD1-CG1 4.16Å; L690-I825 HydrophobicContact CD2-CB 4.43Å; L690-I825 HydrophobicContact CD2-CD1 3.65Å; L690-I825 HydrophobicContact CD2-CG1 3.75Å; L690-I825 HydrophobicContact CG-CG1 4.41Å | ||
| 691 | R | 93.7 | Very high | 90.4 | Very high | 25 Ų | 25 | 12.3 Ų | 12.3 | 9% | 0.094 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -54.5 | -40.1 | -172.4 | -174.2 | 179.3 | -77 | -156.4 | -6 | 112.5 | L693 A694 Y695 F820 H821 K868 T871 E872 | R691-L693 PolarHBondContact O-N 2.82Å; R691-A694 VanDerWaalsContact O-CB 3.26Å; R691-A694 WeakPolarHBondContact O-CB 3.4Å; R691-A694 PolarHBondContact O-N 3.48Å; R691-Y695 HydrophobicContact CG-CE2 4.22Å; R691-Y695 WeakPolarHBondContact O-CD2 3.35Å; R691-F820 WeakPolarHBondContact CA-O 3.22Å; R691-F820 PolarHBondContact N-O 3.26Å; R691-H821 VanDerWaalsContact CZ-CE1 3.46Å; R691-H821 PolarHBondContact NE-O 3.12Å; R691-H821 PolarHBondContact NH2-CE1 2.83Å; R691-H821 PolarHBondContact NH2-NE2 3.19Å; R691-H821 PolarHBondContact NH2-O 3.4Å; R691-K868 VanDerWaalsContact NH1-CG 3.3Å; R691-T871 HydrophobicContact CB-CG2 4.43Å; R691-T871 HydrophobicContact CG-CG2 3.99Å; R691-E872 IonicContact NH1-OE1 3.86Å |
| 692 | A | 92.4 | Very high | 90.8 | Very high | 2 Ų | 2 | 17.7 Ų | 17.7 | 2% | 0.017 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -55.2 | -36.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L690 A694 Y695 R696 L697 V699 T871 L927 | L690-A692 PolarHBondContact O-N 2.83Å; L690-A692 VanDerWaalsContact O-N 3.12Å; A692-A694 VanDerWaalsContact C-N 3.28Å; A692-A694 PolarHBondContact O-N 3.46Å; A692-Y695 PolarHBondContact O-N 2.64Å; A692-Y695 VanDerWaalsContact O-N 3.12Å; A692-R696 PolarHBondContact O-N 3.4Å; A692-L697 HydrophobicContact CB-CB 4.09Å; A692-L697 WeakPolarHBondContact O-CB 3.43Å; A692-L697 PolarHBondContact O-N 2.67Å; A692-V699 HydrophobicContact CB-CG2 3.55Å; A692-T871 HydrophobicContact CB-CG2 4.46Å; A692-L927 HydrophobicContact CB-CD1 3.43Å; A692-L927 VanDerWaalsContact CB-CD1 3.43Å |
| 693 | L | 93.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -66.7 | -29.3 | 179.1 | -60.9 | 178.9 | 0 | 0 | 0 | 112 | L690 R691 Y695 R696 L720 P722 Y759 F761 | L690-L693 HydrophobicContact CB-CD1 4.49Å; L690-L693 HydrophobicContact CD2-CD1 3.85Å; L690-L693 VanDerWaalsContact O-CB 3.29Å; L690-L693 WeakPolarHBondContact O-CB 3.48Å; L690-L693 PolarHBondContact O-N 2.91Å; R691-L693 PolarHBondContact O-N 2.82Å; L693-Y695 PolarHBondContact O-N 2.83Å; L693-Y695 VanDerWaalsContact O-N 3.15Å; L693-R696 PolarHBondContact O-N 2.91Å; L693-R696 VanDerWaalsContact O-N 3.09Å; L693-L720 HydrophobicContact CD1-CB 4.37Å; L693-L720 HydrophobicContact CD1-CD1 4.32Å; L693-L720 HydrophobicContact CD2-CB 3.99Å; L693-P722 HydrophobicContact CD2-CG 3.78Å; L693-Y759 PolarHBondContact O-OH 3.48Å; L693-F761 HydrophobicContact CD1-CD1 4.22Å; L693-F761 HydrophobicContact CD1-CD2 3.86Å; L693-F761 HydrophobicContact CD1-CE1 4.19Å; L693-F761 HydrophobicContact CD1-CE2 3.85Å; L693-F761 HydrophobicContact CD1-CG 4.05Å; L693-F761 HydrophobicContact CD1-CZ 4.02Å; L693-F761 HydrophobicContact CD2-CB 4.38Å; L693-F761 HydrophobicContact CD2-CG 4.49Å |
| 694 | A | 92.7 | Very high | 91.3 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.008 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.8 | -24.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | R691 A692 P751 L754 F820 | R691-A694 VanDerWaalsContact O-CB 3.26Å; R691-A694 WeakPolarHBondContact O-CB 3.4Å; R691-A694 PolarHBondContact O-N 3.48Å; A692-A694 VanDerWaalsContact C-N 3.28Å; A692-A694 PolarHBondContact O-N 3.46Å; A694-P751 HydrophobicContact CB-CB 4Å; A694-P751 HydrophobicContact CB-CG 4Å; A694-P751 WeakPolarHBondContact O-CB 3.37Å; A694-L754 WeakPolarHBondContact O-CD1 3.09Å; A694-F820 HydrophobicContact CB-CB 3.99Å |
| 695 | Y | 91.5 | Very high | 91.4 | Very high | 36 Ų | 36 | 22.8 Ų | 22.8 | 14% | 0.141 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 9.6 | -180 | -58.8 | -91.8 | 0 | 0 | 0 | 113 | R691 A692 L693 L697 F747 I748 E749 P751 T871 I875 | R691-Y695 HydrophobicContact CG-CE2 4.22Å; R691-Y695 WeakPolarHBondContact O-CD2 3.35Å; A692-Y695 PolarHBondContact O-N 2.64Å; A692-Y695 VanDerWaalsContact O-N 3.12Å; L693-Y695 PolarHBondContact O-N 2.83Å; L693-Y695 VanDerWaalsContact O-N 3.15Å; Y695-L697 VanDerWaalsContact C-N 3.3Å; Y695-L697 PolarHBondContact O-N 3.43Å; Y695-F747 WeakPolarHBondContact O-CD2 3.3Å; Y695-I748 WeakPolarHBondContact CD1-O 3.34Å; Y695-I748 PolarHBondContact O-N 2.84Å; Y695-E749 WeakPolarHBondContact CE1-O 3.27Å; Y695-P751 HydrophobicContact CD1-CG 3.93Å; Y695-P751 HydrophobicContact CD2-CG 4.33Å; Y695-P751 HydrophobicContact CE1-CG 3.51Å; Y695-P751 HydrophobicContact CE2-CG 3.93Å; Y695-P751 HydrophobicContact CG-CG 4.32Å; Y695-P751 VanDerWaalsContact CZ-CG 3.49Å; Y695-T871 HydrophobicContact CD2-CG2 4.43Å; Y695-I875 HydrophobicContact CD1-CD1 3.69Å; Y695-I875 HydrophobicContact CD1-CG1 4.06Å; Y695-I875 HydrophobicContact CD2-CD1 3.67Å; Y695-I875 HydrophobicContact CD2-CG1 4.44Å; Y695-I875 HydrophobicContact CE1-CD1 3.61Å; Y695-I875 HydrophobicContact CE1-CG1 4.38Å; Y695-I875 HydrophobicContact CE2-CD1 3.61Å; Y695-I875 HydrophobicContact CG-CD1 3.72Å; Y695-I875 HydrophobicContact CG-CG1 4.09Å |
| 696 | R | 89.5 | Confident | 91.1 | Very high | 50 Ų | 50 | 23.7 Ų | 23.7 | 19% | 0.189 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 41.3 | -171.7 | -69.7 | 178.6 | 168.6 | -163.6 | -1.5 | 113.1 | A692 L693 P722 V745 T746 I748 Y759 S924 | A692-R696 PolarHBondContact O-N 3.4Å; L693-R696 PolarHBondContact O-N 2.91Å; L693-R696 VanDerWaalsContact O-N 3.09Å; R696-P722 HydrophobicContact CB-CB 4.37Å; R696-P722 HydrophobicContact CB-CG 4.47Å; R696-V745 HydrophobicContact CB-CG1 3.96Å; R696-V745 HydrophobicContact CG-CG1 4.13Å; R696-T746 WeakPolarHBondContact CD-O 3.21Å; R696-I748 HydrophobicContact CG-CD1 4.15Å; R696-Y759 HydrophobicContact CG-CE2 3.64Å; R696-S924 WeakPolarHBondContact O-CB 3.4Å |
| 697 | L | 90.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | P | Polyproline II helix | trans | -95.9 | 141.7 | 172.7 | -64.2 | 172.2 | 0 | 0 | 0 | 110.2 | A692 Y695 F747 T874 I875 L927 | A692-L697 HydrophobicContact CB-CB 4.09Å; A692-L697 WeakPolarHBondContact O-CB 3.43Å; A692-L697 PolarHBondContact O-N 2.67Å; Y695-L697 VanDerWaalsContact C-N 3.3Å; Y695-L697 PolarHBondContact O-N 3.43Å; L697-F747 HydrophobicContact CD1-CE2 4.45Å; L697-F747 HydrophobicContact CD2-CD2 3.74Å; L697-F747 HydrophobicContact CD2-CE2 4.23Å; L697-F747 HydrophobicContact CG-CD2 4.21Å; L697-F747 HydrophobicContact CG-CE2 4.43Å; L697-T874 HydrophobicContact CD1-CG2 3.85Å; L697-T874 HydrophobicContact CD2-CG2 4.23Å; L697-I875 HydrophobicContact CD1-CG1 4.13Å; L697-L927 HydrophobicContact CB-CD1 4.3Å |
| 698 | D | 88.8 | Confident | 89.7 | Confident | 28 Ų | 28 | 24.2 Ų | 24.2 | 15% | 0.15 | 11% | 0.11 | C | C | . | . | B | Isolated β-bridge | trans | -76.5 | 132.7 | 175 | -46.7 | -28.4 | 0 | 0 | 0 | 109 | L720 P722 L927 | D698-L720 WeakPolarHBondContact CA-O 3.43Å; D698-P722 WeakPolarHBondContact OD1-CD 3.4Å; D698-L927 WeakPolarHBondContact O-CD1 3.5Å; D698-L927 PolarHBondContact O-N 2.78Å; D698-L927 VanDerWaalsContact O-N 3.15Å |
| 699 | V | 89.4 | Confident | 88.5 | Confident | 7 Ų | 7 | 26.8 Ų | 26.8 | 4% | 0.042 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 127 | 167.4 | -174.8 | 0 | 0 | 0 | 0 | 107.2 | A692 E701 K719 L720 L927 | A692-V699 HydrophobicContact CB-CG2 3.55Å; V699-E701 HydrophobicContact CG1-CB 4.5Å; V699-E701 HydrophobicContact CG1-CG 3.99Å; V699-K719 CarbonylContact O-C 3.48Å; V699-K719 WeakPolarHBondContact O-CA 3.38Å; V699-L720 HydrophobicContact CB-CB 3.88Å; V699-L720 HydrophobicContact CB-CD1 4.23Å; V699-L720 HydrophobicContact CB-CG 4.12Å; V699-L720 HydrophobicContact CG1-CD1 4.5Å; V699-L720 HydrophobicContact CG2-CB 4.17Å; V699-L720 HydrophobicContact CG2-CD1 4.2Å; V699-L720 PolarHBondContact N-O 2.94Å; V699-L720 PolarHBondContact O-N 3.45Å; V699-L927 HydrophobicContact CG2-CD1 4.24Å |
| 700 | D | 91.3 | Very high | 87.4 | Confident | 24 Ų | 24 | 26.9 Ų | 26.9 | 13% | 0.128 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 90.8 | 175.8 | -168.6 | -9 | 0 | 0 | 0 | 106.9 | H717 K719 N926 S928 | D700-H717 IonicContact OD1-CD2 3.01Å; D700-H717 IonicContact OD1-CE1 3.96Å; D700-H717 PolarHBondContact OD1-CE1 2.84Å; D700-H717 IonicContact OD1-NE2 3.57Å; D700-H717 PolarHBondContact OD1-NE2 3.25Å; D700-K719 HydrophobicContact CB-CD 4.47Å; D700-K719 HydrophobicContact CB-CG 4.38Å; D700-K719 WeakPolarHBondContact OD1-CE 3.46Å; D700-K719 WeakPolarHBondContact OD1-CG 3.43Å; D700-K719 IonicContact OD1-NZ 2.75Å; D700-K719 PolarHBondContact OD1-NZ 2.86Å; D700-K719 WeakPolarHBondContact OD2-CE 3.46Å; D700-K719 IonicContact OD2-NZ 2.68Å; D700-K719 PolarHBondContact OD2-NZ 3.08Å; D700-N926 WeakPolarHBondContact CB-ND2 3.45Å; D700-N926 WeakPolarHBondContact CB-OD1 3.21Å; D700-N926 PolarHBondContact N-OD1 2.86Å; D700-N926 PolarHBondContact OD2-ND2 3.34Å; D700-S928 WeakPolarHBondContact O-CB 3.29Å; D700-S928 PolarHBondContact O-OG 3.03Å; D700-S928 VanDerWaalsContact O-OG 3.07Å |
| 701 | E | 88.9 | Confident | 86.8 | Confident | 31 Ų | 31 | 30.2 Ų | 30.2 | 15% | 0.145 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 142.6 | -168.3 | -64.4 | -164.4 | 133.8 | 0 | 0 | 111.3 | V699 L703 H717 I718 K870 | V699-E701 HydrophobicContact CG1-CB 4.5Å; V699-E701 HydrophobicContact CG1-CG 3.99Å; E701-L703 HydrophobicContact CB-CD2 3.76Å; E701-L703 PolarHBondContact O-N 3.31Å; E701-H717 PolarHBondContact O-CD2 2.85Å; E701-I718 PolarHBondContact N-O 2.86Å; E701-I718 PolarHBondContact O-N 2.85Å; E701-K870 IonicContact OE1-NZ 3.4Å; E701-K870 PolarHBondContact OE1-NZ 3.48Å |
| 702 | E | 91 | Very high | 86.4 | Confident | 126 Ų | 126 | 32.2 Ų | 32.2 | 59% | 0.589 | 16% | 0.157 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 102.8 | 165 | -175.5 | 169.9 | -159.7 | 0 | 0 | 108.2 | T715 | E702-T715 VanDerWaalsContact CG-CB 3.46Å; E702-T715 HydrophobicContact CG-CG2 3.85Å; E702-T715 VanDerWaalsContact OE1-CB 3.23Å; E702-T715 WeakPolarHBondContact OE1-CB 3.42Å; E702-T715 PolarHBondContact OE1-OG1 2.85Å |
| 703 | L | 91.3 | Very high | 86.1 | Confident | 18 Ų | 18 | 33.2 Ų | 33.2 | 9% | 0.094 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 139.6 | -177.3 | -57.9 | -171.9 | 0 | 0 | 0 | 110.5 | A686 A688 E701 T715 I716 I718 | A686-L703 HydrophobicContact CB-CB 4.03Å; A686-L703 HydrophobicContact CB-CD1 4.47Å; A688-L703 HydrophobicContact CB-CD1 3.63Å; E701-L703 HydrophobicContact CB-CD2 3.76Å; E701-L703 PolarHBondContact O-N 3.31Å; L703-T715 CarbonylContact O-C 3.48Å; L703-T715 WeakPolarHBondContact O-CA 2.9Å; L703-I716 HydrophobicContact CB-CG2 4.21Å; L703-I716 PolarHBondContact N-O 3.12Å; L703-I716 PolarHBondContact O-N 3.34Å; L703-I718 HydrophobicContact CB-CD1 4.42Å; L703-I718 HydrophobicContact CD1-CB 4.46Å; L703-I718 HydrophobicContact CD1-CD1 3.41Å; L703-I718 VanDerWaalsContact CD1-CD1 3.41Å; L703-I718 HydrophobicContact CG-CD1 4.03Å |
| 704 | K | 90.7 | Very high | 86 | Confident | 106 Ų | 106 | 33.2 Ų | 33.2 | 46% | 0.461 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 128.3 | 174 | -65.4 | -179.1 | 167.3 | -151.7 | 0 | 110.2 | E712 | K704-E712 HydrophobicContact CB-CG 4.11Å; K704-E712 VanDerWaalsContact CD-CD 3.48Å; K704-E712 HydrophobicContact CD-CG 4.27Å; K704-E712 WeakPolarHBondContact CD-OE2 3.49Å; K704-E712 WeakPolarHBondContact CE-OE1 3.39Å; K704-E712 VanDerWaalsContact CE-OE2 3.26Å; K704-E712 WeakPolarHBondContact CE-OE2 3.33Å; K704-E712 HydrophobicContact CG-CG 4.27Å; K704-E712 WeakPolarHBondContact CG-OE1 3.41Å; K704-E712 IonicContact NZ-OE1 2.69Å; K704-E712 IonicContact NZ-OE2 3.67Å; K704-E712 PolarHBondContact NZ-OE2 3.16Å |
| 705 | I | 90.1 | Very high | 85.9 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 117.2 | 170.2 | -59.5 | 168.8 | 0 | 0 | 0 | 106.8 | L713 G714 I716 L768 L770 I829 | I705-L713 HydrophobicContact CG2-CB 4.34Å; I705-L713 PolarHBondContact O-N 2.94Å; I705-G714 PolarHBondContact N-O 2.79Å; I705-I716 HydrophobicContact CD1-CB 4.18Å; I705-I716 HydrophobicContact CD1-CG2 4.45Å; I705-I716 HydrophobicContact CG1-CB 4.27Å; I705-I716 HydrophobicContact CG1-CG2 4Å; I705-L768 HydrophobicContact CD1-CD1 4.41Å; I705-L768 HydrophobicContact CD1-CG 4.02Å; I705-L770 HydrophobicContact CD1-CD2 3.77Å; I705-I829 HydrophobicContact CD1-CD1 4.43Å; I705-I829 HydrophobicContact CD1-CG1 4.23Å; I705-I829 HydrophobicContact CG1-CD1 4.11Å; I705-I829 HydrophobicContact CG1-CG1 4.44Å; I705-I829 HydrophobicContact CG2-CD1 4.06Å; I705-I829 HydrophobicContact CG2-CG1 4.38Å |
| 706 | M | 85.1 | Confident | 86 | Confident | 19 Ų | 19 | 32.2 Ų | 32.2 | 9% | 0.094 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 141 | 179.3 | -57.9 | 172.2 | -69.2 | 0 | 0 | 110.4 | G684 I685 P687 D711 L858 L863 | G684-M706 CarbonylContact C-O 3.51Å; G684-M706 WeakPolarHBondContact CA-O 3.21Å; I685-M706 HydrophobicContact CG1-CE 4.49Å; I685-M706 PolarHBondContact N-O 2.75Å; I685-M706 PolarHBondContact O-N 3.45Å; P687-M706 HydrophobicContact CG-CE 4.14Å; M706-D711 VanDerWaalsContact CA-O 3.31Å; M706-D711 WeakPolarHBondContact CA-O 3.34Å; M706-L858 HydrophobicContact CB-CD2 4.46Å; M706-L858 HydrophobicContact CE-CD2 3.78Å; M706-L858 HydrophobicContact SD-CD2 4.27Å; M706-L863 HydrophobicContact CE-CD1 3.32Å; M706-L863 HydrophobicContact SD-CD1 3.82Å |
| 707 | D | 80.8 | Confident | 86.1 | Confident | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.011 | 16% | 0.162 | C | C | . | . | trans | -73.5 | -175.6 | 170.4 | 75.5 | 2.7 | 0 | 0 | 0 | 112.1 | I709 G710 D711 L713 Y845 L858 | D707-I709 PolarHBondContact O-N 3.06Å; D707-I709 VanDerWaalsContact OD1-CA 3.29Å; D707-I709 WeakPolarHBondContact OD1-CA 3.43Å; D707-I709 WeakPolarHBondContact OD1-CB 3.41Å; D707-I709 PolarHBondContact OD1-N 3.26Å; D707-G710 PolarHBondContact O-N 3.43Å; D707-G710 PolarHBondContact OD1-N 2.89Å; D707-D711 PolarHBondContact N-O 3.28Å; D707-D711 PolarHBondContact OD1-N 2.75Å; D707-L713 HydrophobicContact CB-CD1 3.85Å; D707-L713 HydrophobicContact CB-CD2 4.41Å; D707-L713 HydrophobicContact CB-CG 4.12Å; D707-Y845 HydrophobicContact CB-CE1 3.85Å; D707-Y845 WeakPolarHBondContact OD2-CE1 3.4Å; D707-L858 WeakPolarHBondContact O-CD1 3.47Å | ||
| 708 | F | 72.2 | Confident | 86.3 | Confident | 17 Ų | 17 | 32.5 Ų | 32.5 | 8% | 0.075 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -72.6 | -13.1 | 176.7 | 60.7 | -94.5 | 0 | 0 | 0 | 113.9 | I606 Y845 S856 | I606-F708 HydrophobicContact CB-CE2 4.33Å; I606-F708 HydrophobicContact CG2-CE2 4Å; I606-F708 HydrophobicContact CG2-CZ 4.24Å; F708-Y845 HydrophobicContact CD1-CE1 4.16Å; F708-Y845 HydrophobicContact CE1-CD1 4.1Å; F708-Y845 AromaticContact CE1-CE1 3.38Å; F708-Y845 HydrophobicContact CE1-CE1 3.38Å; F708-Y845 HydrophobicContact CE1-CE2 4.1Å; F708-Y845 AromaticContact CE1-CZ 3.41Å; F708-Y845 VanDerWaalsContact CE1-CZ 3.41Å; F708-Y845 AromaticContact CZ-CD1 3.95Å; F708-Y845 HydrophobicContact CZ-CD1 3.95Å; F708-Y845 AromaticContact CZ-CE1 3.68Å; F708-Y845 HydrophobicContact CZ-CE1 3.68Å; F708-S856 WeakPolarHBondContact O-CB 3.2Å |
| 709 | I | 67.5 | Low | 86.5 | Confident | 54 Ų | 54 | 34 Ų | 34 | 28% | 0.277 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -88.2 | -19.5 | 175.6 | -52.1 | -178.7 | 0 | 0 | 0 | 110.1 | D707 Y845 S856 R857 | D707-I709 PolarHBondContact O-N 3.06Å; D707-I709 VanDerWaalsContact OD1-CA 3.29Å; D707-I709 WeakPolarHBondContact OD1-CA 3.43Å; D707-I709 WeakPolarHBondContact OD1-CB 3.41Å; D707-I709 PolarHBondContact OD1-N 3.26Å; I709-Y845 HydrophobicContact CD1-CD1 4.18Å; I709-S856 CarbonylContact O-C 3.58Å; I709-R857 WeakPolarHBondContact O-CB 3.19Å; I709-R857 PolarHBondContact O-N 3.18Å |
| 710 | G | 71 | Confident | 86.7 | Confident | 18 Ų | 18 | 33.7 Ų | 33.7 | 19% | 0.186 | 17% | 0.166 | C | C | . | . | trans | 94.6 | 11.9 | -175 | 0 | 0 | 0 | 0 | 0 | 113.8 | D707 | D707-G710 PolarHBondContact O-N 3.43Å; D707-G710 PolarHBondContact OD1-N 2.89Å | ||
| 711 | D | 81.1 | Confident | 86.8 | Confident | 71 Ų | 71 | 34.6 Ų | 34.6 | 38% | 0.38 | 17% | 0.171 | S | C | . | . | trans | -79.5 | 141.3 | 173.7 | -68 | -30.5 | 0 | 0 | 0 | 110.3 | M706 D707 R857 | M706-D711 VanDerWaalsContact CA-O 3.31Å; M706-D711 WeakPolarHBondContact CA-O 3.34Å; D707-D711 PolarHBondContact N-O 3.28Å; D707-D711 PolarHBondContact OD1-N 2.75Å; D711-R857 IonicContact OD1-NH1 3.32Å | ||
| 712 | E | 86.1 | Confident | 87 | Confident | 66 Ų | 66 | 33.3 Ų | 33.3 | 31% | 0.308 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 119 | -176.3 | -165.2 | -179.8 | 154.6 | 0 | 0 | 110.7 | K704 Y771 | K704-E712 HydrophobicContact CB-CG 4.11Å; K704-E712 VanDerWaalsContact CD-CD 3.48Å; K704-E712 HydrophobicContact CD-CG 4.27Å; K704-E712 WeakPolarHBondContact CD-OE2 3.49Å; K704-E712 WeakPolarHBondContact CE-OE1 3.39Å; K704-E712 VanDerWaalsContact CE-OE2 3.26Å; K704-E712 WeakPolarHBondContact CE-OE2 3.33Å; K704-E712 HydrophobicContact CG-CG 4.27Å; K704-E712 WeakPolarHBondContact CG-OE1 3.41Å; K704-E712 IonicContact NZ-OE1 2.69Å; K704-E712 IonicContact NZ-OE2 3.67Å; K704-E712 PolarHBondContact NZ-OE2 3.16Å; E712-Y771 HydrophobicContact CB-CE2 4.24Å; E712-Y771 HydrophobicContact CG-CE2 3.77Å; E712-Y771 WeakPolarHBondContact O-CD2 3.26Å; E712-Y771 PolarHBondContact OE1-OH 3.11Å |
| 713 | L | 85.8 | Confident | 86.7 | Confident | 23 Ų | 23 | 28 Ų | 28 | 12% | 0.12 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | -18.2 | -177.1 | -59.9 | -175.3 | 0 | 0 | 0 | 113.5 | I683 I705 D707 L770 Y771 V844 | I683-L713 HydrophobicContact CG2-CD1 3.59Å; I683-L713 WeakPolarHBondContact O-CD1 3.49Å; I705-L713 HydrophobicContact CG2-CB 4.34Å; I705-L713 PolarHBondContact O-N 2.94Å; D707-L713 HydrophobicContact CB-CD1 3.85Å; D707-L713 HydrophobicContact CB-CD2 4.41Å; D707-L713 HydrophobicContact CB-CG 4.12Å; L713-L770 HydrophobicContact CB-CD2 4.32Å; L713-L770 WeakPolarHBondContact O-CA 3.44Å; L713-Y771 VanDerWaalsContact C-CD2 3.45Å; L713-Y771 PolarHBondContact O-N 3.25Å; L713-V844 HydrophobicContact CD1-CG1 4.34Å; L713-V844 HydrophobicContact CD2-CG1 3.83Å |
| 714 | G | 90.1 | Very high | 85.9 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 161 | -158.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I705 N769 | I705-G714 PolarHBondContact N-O 2.79Å; G714-N769 CarbonylContact C-O 3.42Å; G714-N769 WeakPolarHBondContact CA-O 3.07Å |
| 715 | T | 92.2 | Very high | 84.5 | Confident | 16 Ų | 16 | 27 Ų | 27 | 10% | 0.098 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 152.2 | -177.3 | 62.8 | 0 | 0 | 0 | 0 | 113.1 | E702 L703 N769 | E702-T715 VanDerWaalsContact CG-CB 3.46Å; E702-T715 HydrophobicContact CG-CG2 3.85Å; E702-T715 VanDerWaalsContact OE1-CB 3.23Å; E702-T715 WeakPolarHBondContact OE1-CB 3.42Å; E702-T715 PolarHBondContact OE1-OG1 2.85Å; L703-T715 CarbonylContact O-C 3.48Å; L703-T715 WeakPolarHBondContact O-CA 2.9Å; T715-N769 PolarHBondContact N-O 2.74Å; T715-N769 PolarHBondContact O-N 2.99Å |
| 716 | I | 92.1 | Very high | 82.7 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 128.6 | 170.8 | -174.7 | 173.1 | 0 | 0 | 0 | 109.7 | A686 L703 I705 I718 S767 L768 V782 I797 | A686-I716 HydrophobicContact CB-CG2 3.47Å; A686-I716 VanDerWaalsContact CB-CG2 3.47Å; L703-I716 HydrophobicContact CB-CG2 4.21Å; L703-I716 PolarHBondContact N-O 3.12Å; L703-I716 PolarHBondContact O-N 3.34Å; I705-I716 HydrophobicContact CD1-CB 4.18Å; I705-I716 HydrophobicContact CD1-CG2 4.45Å; I705-I716 HydrophobicContact CG1-CB 4.27Å; I705-I716 HydrophobicContact CG1-CG2 4Å; I716-I718 HydrophobicContact CG1-CD1 4.42Å; I716-I718 HydrophobicContact CG1-CG1 4.31Å; I716-I718 HydrophobicContact CG2-CD1 3.81Å; I716-S767 WeakPolarHBondContact CA-O 3.03Å; I716-L768 HydrophobicContact CD1-CD1 4.38Å; I716-L768 HydrophobicContact CG1-CB 4.4Å; I716-V782 HydrophobicContact CD1-CG2 4.14Å; I716-I797 HydrophobicContact CD1-CD1 4.09Å |
| 717 | H | 92.9 | Very high | 80.7 | Confident | 54 Ų | 54 | 34.4 Ų | 34.4 | 25% | 0.25 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 122.6 | 177.4 | -171 | -169.9 | 0 | 0 | 0 | 110.4 | D700 E701 G766 S767 | D700-H717 IonicContact OD1-CD2 3.01Å; D700-H717 IonicContact OD1-CE1 3.96Å; D700-H717 PolarHBondContact OD1-CE1 2.84Å; D700-H717 IonicContact OD1-NE2 3.57Å; D700-H717 PolarHBondContact OD1-NE2 3.25Å; E701-H717 PolarHBondContact O-CD2 2.85Å; H717-G766 WeakPolarHBondContact O-CA 3.24Å; H717-G766 PolarHBondContact O-N 3.01Å; H717-S767 PolarHBondContact N-O 3.18Å |
| 718 | I | 93.4 | Very high | 79 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 139.8 | 180 | -69.5 | 151.5 | 0 | 0 | 0 | 110.3 | E701 L703 I716 L720 I764 L765 F827 | E701-I718 PolarHBondContact N-O 2.86Å; E701-I718 PolarHBondContact O-N 2.85Å; L703-I718 HydrophobicContact CB-CD1 4.42Å; L703-I718 HydrophobicContact CD1-CB 4.46Å; L703-I718 HydrophobicContact CD1-CD1 3.41Å; L703-I718 VanDerWaalsContact CD1-CD1 3.41Å; L703-I718 HydrophobicContact CG-CD1 4.03Å; I716-I718 HydrophobicContact CG1-CD1 4.42Å; I716-I718 HydrophobicContact CG1-CG1 4.31Å; I716-I718 HydrophobicContact CG2-CD1 3.81Å; I718-L720 HydrophobicContact CG2-CD2 4.11Å; I718-L720 HydrophobicContact CG2-CG 4.31Å; I718-I764 WeakPolarHBondContact CA-O 3.14Å; I718-L765 HydrophobicContact CD1-CD2 4.49Å; I718-L765 HydrophobicContact CG1-CD2 3.73Å; I718-F827 HydrophobicContact CD1-CB 4.43Å; I718-F827 HydrophobicContact CD1-CD2 3.23Å; I718-F827 HydrophobicContact CD1-CE2 3.49Å; I718-F827 VanDerWaalsContact CD1-CE2 3.49Å; I718-F827 HydrophobicContact CD1-CG 3.84Å; I718-F827 HydrophobicContact CD1-CZ 4.29Å; I718-F827 HydrophobicContact CG1-CD2 4.21Å; I718-F827 HydrophobicContact CG1-CE2 4.08Å; I718-F827 HydrophobicContact CG1-CZ 4.47Å; I718-F827 HydrophobicContact CG2-CE2 3.84Å; I718-F827 HydrophobicContact CG2-CZ 4.04Å |
| 719 | K | 93.7 | Very high | 77.4 | Confident | 61 Ų | 61 | 45.4 Ų | 45.4 | 27% | 0.265 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 133.3 | 167.2 | -40 | -167.6 | -179.8 | -146.5 | 0 | 112.2 | V699 D700 I721 I763 I764 | V699-K719 CarbonylContact O-C 3.48Å; V699-K719 WeakPolarHBondContact O-CA 3.38Å; D700-K719 HydrophobicContact CB-CD 4.47Å; D700-K719 HydrophobicContact CB-CG 4.38Å; D700-K719 WeakPolarHBondContact OD1-CE 3.46Å; D700-K719 WeakPolarHBondContact OD1-CG 3.43Å; D700-K719 IonicContact OD1-NZ 2.75Å; D700-K719 PolarHBondContact OD1-NZ 2.86Å; D700-K719 WeakPolarHBondContact OD2-CE 3.46Å; D700-K719 IonicContact OD2-NZ 2.68Å; D700-K719 PolarHBondContact OD2-NZ 3.08Å; K719-I721 HydrophobicContact CB-CD1 4.18Å; K719-I721 HydrophobicContact CB-CG1 4.08Å; K719-I721 HydrophobicContact CD-CD1 4.39Å; K719-I763 WeakPolarHBondContact O-CA 3.4Å; K719-I764 HydrophobicContact CB-CB 4.06Å; K719-I764 HydrophobicContact CB-CD1 4.46Å; K719-I764 HydrophobicContact CG-CB 4.43Å; K719-I764 PolarHBondContact N-O 3.23Å; K719-I764 PolarHBondContact O-N 2.91Å |
| 720 | L | 94.4 | Very high | 76 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 106.5 | 169.4 | -47.8 | 175.2 | 0 | 0 | 0 | 107.8 | A688 L690 L693 D698 V699 I718 K762 I763 I825 | A688-L720 HydrophobicContact CB-CD1 4.22Å; L690-L720 HydrophobicContact CD2-CD1 3.8Å; L693-L720 HydrophobicContact CD1-CB 4.37Å; L693-L720 HydrophobicContact CD1-CD1 4.32Å; L693-L720 HydrophobicContact CD2-CB 3.99Å; D698-L720 WeakPolarHBondContact CA-O 3.43Å; V699-L720 HydrophobicContact CB-CB 3.88Å; V699-L720 HydrophobicContact CB-CD1 4.23Å; V699-L720 HydrophobicContact CB-CG 4.12Å; V699-L720 HydrophobicContact CG1-CD1 4.5Å; V699-L720 HydrophobicContact CG2-CB 4.17Å; V699-L720 HydrophobicContact CG2-CD1 4.2Å; V699-L720 PolarHBondContact N-O 2.94Å; V699-L720 PolarHBondContact O-N 3.45Å; I718-L720 HydrophobicContact CG2-CD2 4.11Å; I718-L720 HydrophobicContact CG2-CG 4.31Å; L720-K762 CarbonylContact C-O 3.52Å; L720-K762 WeakPolarHBondContact CA-O 3.42Å; L720-I763 HydrophobicContact CD2-CB 4.26Å; L720-I763 HydrophobicContact CD2-CG1 3.83Å; L720-I763 HydrophobicContact CD2-CG2 4.03Å; L720-I825 HydrophobicContact CD2-CD1 4.37Å |
| 721 | I | 92.5 | Very high | 74.3 | Confident | 43 Ų | 43 | 49.8 Ų | 49.8 | 22% | 0.221 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 107.5 | -170.3 | -55.6 | 178.3 | 0 | 0 | 0 | 109.7 | K719 C723 F761 K762 I764 | K719-I721 HydrophobicContact CB-CD1 4.18Å; K719-I721 HydrophobicContact CB-CG1 4.08Å; K719-I721 HydrophobicContact CD-CD1 4.39Å; I721-C723 PolarHBondContact O-N 2.98Å; I721-C723 PolarHBondContact O-SG 3.2Å; I721-C723 VanDerWaalsContact O-SG 3.32Å; I721-F761 CarbonylContact O-C 3.43Å; I721-F761 WeakPolarHBondContact O-CA 3.29Å; I721-F761 WeakPolarHBondContact O-CB 3.43Å; I721-K762 PolarHBondContact N-O 3.25Å; I721-K762 PolarHBondContact O-N 3.4Å; I721-I764 HydrophobicContact CD1-CD1 3.77Å |
| 722 | P | 92 | Very high | 72.1 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.019 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -50.4 | 135.6 | 167.3 | -28.1 | 36.7 | 0 | 0 | 0 | 112.3 | L693 R696 D698 V745 Y759 | L693-P722 HydrophobicContact CD2-CG 3.78Å; R696-P722 HydrophobicContact CB-CB 4.37Å; R696-P722 HydrophobicContact CB-CG 4.47Å; D698-P722 WeakPolarHBondContact OD1-CD 3.4Å; P722-V745 HydrophobicContact CB-CG1 3.96Å; P722-Y759 WeakPolarHBondContact CG-OH 3.33Å |
| 723 | C | 84.9 | Confident | 69.5 | Low | 16 Ų | 16 | 55.5 Ų | 55.5 | 11% | 0.108 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 148.1 | -176.9 | -69.5 | 0 | 0 | 0 | 0 | 110.8 | I721 S760 | I721-C723 PolarHBondContact O-N 2.98Å; I721-C723 PolarHBondContact O-SG 3.2Å; I721-C723 VanDerWaalsContact O-SG 3.32Å; C723-S760 PolarHBondContact N-O 2.86Å; C723-S760 VanDerWaalsContact O-O 3.1Å |
| 724 | S | 74.9 | Confident | 66.9 | Low | 55 Ų | 55 | 59 Ų | 59 | 39% | 0.385 | 36% | 0.355 | S | S | . | . | trans | -72.6 | 140.4 | 171.1 | -179 | 0 | 0 | 0 | 0 | 111.2 | S726 | S724-S726 PolarHBondContact O-N 3.33Å; S724-S726 VanDerWaalsContact O-N 3.15Å; S724-S726 PolarHBondContact OG-N 2.59Å; S724-S726 PolarHBondContact OG-OG 3.3Å; S724-S726 VanDerWaalsContact OG-OG 3.12Å | ||
| 725 | A | 61.5 | Low | 64 | Low | 46 Ų | 46 | 67 Ų | 67 | 38% | 0.38 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -60.8 | -21.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | N727 S728 P758 | A725-N727 PolarHBondContact O-N 2.8Å; A725-S728 PolarHBondContact O-OG 3Å; A725-P758 HydrophobicContact CB-CB 4.48Å |
| 726 | S | 52.7 | Low | 61 | Low | 92 Ų | 92 | 72.4 Ų | 72.4 | 64% | 0.643 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -72.6 | -21.2 | -172.9 | 60.6 | 0 | 0 | 0 | 0 | 115.4 | S724 | S724-S726 PolarHBondContact O-N 3.33Å; S724-S726 VanDerWaalsContact O-N 3.15Å; S724-S726 PolarHBondContact OG-N 2.59Å; S724-S726 PolarHBondContact OG-OG 3.3Å; S724-S726 VanDerWaalsContact OG-OG 3.12Å |
| 727 | N | 43.9 | Very low | 58.3 | Low | 83 Ų | 83 | 77.9 Ų | 77.9 | 44% | 0.444 | 47% | 0.472 | S | S | . | . | G | 310 helix | trans | -104.4 | 7.4 | -176.1 | -76.2 | -6.8 | 0 | 0 | 0 | 114.1 | A725 | A725-N727 PolarHBondContact O-N 2.8Š|
| 728 | S | 44 | Very low | 55.4 | Low | 44 Ų | 44 | 80.3 Ų | 80.3 | 31% | 0.308 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -22 | -175.9 | 56 | 0 | 0 | 0 | 0 | 114.4 | A725 | A725-S728 PolarHBondContact O-OG 3Š|
| 729 | K | 39 | Very low | 52.4 | Low | 206 Ų | 206 | 85.1 Ų | 85.1 | 90% | 0.896 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -14.4 | -177.9 | -72.3 | -173.3 | 178.6 | 179.5 | 0 | 115.7 | ||
| 730 | S | 37.5 | Very low | 49.4 | Very low | 86 Ų | 86 | 90.4 Ų | 90.4 | 60% | 0.601 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.1 | -7.1 | -177.1 | 65.9 | 0 | 0 | 0 | 0 | 115.4 | ||
| 731 | A | 36.2 | Very low | 46.6 | Very low | 78 Ų | 78 | 99.3 Ų | 99.3 | 65% | 0.645 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | 1.3 | -175 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 732 | L | 34 | Very low | 44.2 | Very low | 163 Ų | 163 | 106.5 Ų | 106.5 | 85% | 0.853 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | 1.5 | 179.2 | -87.5 | 144 | 0 | 0 | 0 | 114.2 | ||
| 733 | S | 32.4 | Very low | 42.2 | Very low | 94 Ų | 94 | 110 Ų | 110 | 66% | 0.657 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -149.7 | 83.6 | 177.3 | 60.2 | 0 | 0 | 0 | 0 | 111.9 | ||
| 734 | S | 30 | Very low | 40.8 | Very low | 97 Ų | 97 | 116.7 Ų | 116.7 | 68% | 0.678 | 68% | 0.681 | S | S | * | * | trans | 164.1 | 122.5 | 140.1 | 48.5 | 0 | 0 | 0 | 0 | 110.9 | N736 | S734-N736 VanDerWaalsContact C-N 3.26Å; S734-N736 PolarHBondContact O-N 2.86Å | ||
| 735 | N | 29.8 | Very low | 40.3 | Very low | 169 Ų | 169 | 114.3 Ų | 114.3 | 90% | 0.904 | 66% | 0.664 | S | S | * | * | trans | -68.2 | 82.4 | 164.5 | -74.4 | -21.7 | 0 | 0 | 0 | 109 | ||||
| 736 | N | 28.6 | Very low | 41 | Very low | 129 Ų | 129 | 114 Ų | 114 | 69% | 0.69 | 66% | 0.658 | S | S | * | * | trans | -136.7 | 95.6 | 167.3 | -84.8 | -29 | 0 | 0 | 0 | 109.5 | S734 S738 | S734-N736 VanDerWaalsContact C-N 3.26Å; S734-N736 PolarHBondContact O-N 2.86Å; N736-S738 PolarHBondContact O-N 2.84Å | ||
| 737 | A | 36.5 | Very low | 42.3 | Very low | 115 Ų | 115 | 110 Ų | 110 | 95% | 0.95 | 63% | 0.629 | S | S | * | * | trans | -72.9 | 68.6 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 738 | S | 31.4 | Very low | 44.2 | Very low | 104 Ų | 104 | 106.4 Ų | 106.4 | 73% | 0.727 | 61% | 0.61 | S | S | * | * | trans | -163.5 | 59.1 | 171.9 | 65.7 | 0 | 0 | 0 | 0 | 113.1 | N736 | N736-S738 PolarHBondContact O-N 2.84Š| ||
| 739 | S | 30.3 | Very low | 45.9 | Very low | 104 Ų | 104 | 109.4 Ų | 109.4 | 73% | 0.727 | 62% | 0.619 | S | S | * | * | trans | -151.9 | 83.8 | 155.5 | 71.3 | 0 | 0 | 0 | 0 | 110.7 | K741 | S739-K741 PolarHBondContact O-N 3.02Š| ||
| 740 | N | 30.8 | Very low | 48.2 | Very low | 172 Ų | 172 | 102.9 Ų | 102.9 | 92% | 0.92 | 59% | 0.594 | S | S | * | * | trans | -71 | 56.4 | 172 | -82.5 | -19.8 | 0 | 0 | 0 | 112 | K742 | N740-K742 VanDerWaalsContact C-N 3.26Å; N740-K742 PolarHBondContact O-N 3.15Å | ||
| 741 | K | 35.9 | Very low | 50.8 | Low | 186 Ų | 186 | 99.7 Ų | 99.7 | 81% | 0.809 | 57% | 0.571 | S | S | * | * | trans | -72.7 | 94.6 | 155.1 | -81 | -172.4 | 178.3 | -179.6 | 0 | 105.6 | S739 D743 | S739-K741 PolarHBondContact O-N 3.02Å; K741-D743 PolarHBondContact O-N 3.48Å; K741-D743 VanDerWaalsContact O-N 3.13Å | ||
| 742 | K | 41.4 | Very low | 53.4 | Low | 194 Ų | 194 | 104.4 Ų | 104.4 | 84% | 0.843 | 57% | 0.572 | S | S | * | * | trans | -44.9 | 120.5 | 168.7 | -89.1 | 179.2 | 170.6 | 177 | 0 | 107.7 | N740 D744 | N740-K742 VanDerWaalsContact C-N 3.26Å; N740-K742 PolarHBondContact O-N 3.15Å; K742-D744 PolarHBondContact O-N 3.02Å | ||
| 743 | D | 49.7 | Very low | 56.1 | Low | 77 Ų | 77 | 100 Ų | 100 | 41% | 0.412 | 55% | 0.547 | S | S | . | . | trans | -53.2 | 123.6 | 177.7 | -75.3 | -48.3 | 0 | 0 | 0 | 109.3 | K741 V745 | K741-D743 PolarHBondContact O-N 3.48Å; K741-D743 VanDerWaalsContact O-N 3.13Å; D743-V745 HydrophobicContact CB-CG2 4.33Å; D743-V745 PolarHBondContact O-N 3.21Å | ||
| 744 | D | 56.2 | Low | 58.8 | Low | 156 Ų | 156 | 95.6 Ų | 95.6 | 83% | 0.834 | 52% | 0.516 | S | S | * | . | trans | -73.3 | 38.7 | -178.4 | -102.2 | -19.6 | 0 | 0 | 0 | 112.2 | K742 T746 | K742-D744 PolarHBondContact O-N 3.02Å; D744-T746 PolarHBondContact O-N 3.1Å | ||
| 745 | V | 65.2 | Low | 61.9 | Low | 5 Ų | 5 | 93.8 Ų | 93.8 | 3% | 0.03 | 50% | 0.498 | C | S | . | . | trans | -80.6 | 110.1 | 174.3 | -174.9 | 0 | 0 | 0 | 0 | 107.5 | R696 P722 D743 S924 | R696-V745 HydrophobicContact CB-CG1 3.96Å; R696-V745 HydrophobicContact CG-CG1 4.13Å; P722-V745 HydrophobicContact CB-CG1 3.96Å; D743-V745 HydrophobicContact CB-CG2 4.33Å; D743-V745 PolarHBondContact O-N 3.21Å; V745-S924 WeakPolarHBondContact O-CB 3.33Å; V745-S924 PolarHBondContact O-N 2.77Å; V745-S924 PolarHBondContact O-OG 2.95Å; V745-S924 VanDerWaalsContact O-OG 3.09Å | ||
| 746 | T | 74.5 | Confident | 64.8 | Low | 40 Ų | 40 | 87.6 Ų | 87.6 | 25% | 0.245 | 47% | 0.474 | C | S | . | . | B | Isolated β-bridge | trans | -89.6 | 140 | 177.1 | 58.8 | 0 | 0 | 0 | 0 | 111.1 | R696 D744 K921 I922 | R696-T746 WeakPolarHBondContact CD-O 3.21Å; D744-T746 PolarHBondContact O-N 3.1Å; T746-K921 HydrophobicContact CG2-CB 4.06Å; T746-I922 CarbonylContact C-O 3.05Å; T746-I922 WeakPolarHBondContact CA-O 3.48Å |
| 747 | F | 81 | Confident | 67.8 | Low | 9 Ų | 9 | 85.9 Ų | 85.9 | 4% | 0.039 | 46% | 0.461 | C | S | . | . | trans | -53.5 | 146.1 | 166.7 | 169.1 | -107.7 | 0 | 0 | 0 | 111.1 | Y695 L697 E749 I875 I922 | Y695-F747 WeakPolarHBondContact O-CD2 3.3Å; L697-F747 HydrophobicContact CD1-CE2 4.45Å; L697-F747 HydrophobicContact CD2-CD2 3.74Å; L697-F747 HydrophobicContact CD2-CE2 4.23Å; L697-F747 HydrophobicContact CG-CD2 4.21Å; L697-F747 HydrophobicContact CG-CE2 4.43Å; F747-E749 HydrophobicContact CD1-CG 4.37Å; F747-E749 HydrophobicContact CE1-CG 3.51Å; F747-E749 HydrophobicContact CZ-CG 4.1Å; F747-I875 HydrophobicContact CE2-CG1 4.28Å; F747-I875 HydrophobicContact CZ-CG2 4.23Å; F747-I922 PolarHBondContact N-O 2.97Å | ||
| 748 | I | 83 | Confident | 70.4 | Confident | 6 Ų | 6 | 84 Ų | 84 | 3% | 0.031 | 44% | 0.438 | C | S | . | . | trans | -125 | 132.2 | 178.1 | -67.1 | 174.5 | 0 | 0 | 0 | 108.1 | Y695 R696 D750 E753 L754 | Y695-I748 WeakPolarHBondContact CD1-O 3.34Å; Y695-I748 PolarHBondContact O-N 2.84Å; R696-I748 HydrophobicContact CG-CD1 4.15Å; I748-D750 WeakPolarHBondContact CG2-O 3.27Å; I748-E753 HydrophobicContact CG2-CB 3.88Å; I748-E753 HydrophobicContact CG2-CG 4.24Å; I748-L754 HydrophobicContact CD1-CD2 3.32Å; I748-L754 HydrophobicContact CD1-CG 3.86Å | ||
| 749 | E | 80.6 | Confident | 73.3 | Confident | 107 Ų | 107 | 79.2 Ų | 79.2 | 50% | 0.5 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -81.7 | -40.1 | 178 | -71.4 | 177.9 | -171.2 | 0 | 0 | 112.3 | Y695 F747 L882 | Y695-E749 WeakPolarHBondContact CE1-O 3.27Å; F747-E749 HydrophobicContact CD1-CG 4.37Å; F747-E749 HydrophobicContact CE1-CG 3.51Å; F747-E749 HydrophobicContact CZ-CG 4.1Å; E749-L882 WeakPolarHBondContact OE1-CD2 3.3Å |
| 750 | D | 87.7 | Confident | 76.3 | Confident | 69 Ų | 69 | 74.5 Ų | 74.5 | 37% | 0.369 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -110.3 | 110.9 | 175.3 | -177.3 | 0.7 | 0 | 0 | 0 | 110.9 | I748 R752 E753 | I748-D750 WeakPolarHBondContact CG2-O 3.27Å; D750-R752 PolarHBondContact O-N 2.85Å; D750-R752 WeakPolarHBondContact OD1-CB 3.43Å; D750-R752 VanDerWaalsContact OD1-CG 3.29Å; D750-R752 WeakPolarHBondContact OD1-CG 3.15Å; D750-R752 PolarHBondContact OD1-N 2.87Å; D750-E753 WeakPolarHBondContact O-CB 3.46Å; D750-E753 PolarHBondContact O-N 3.44Å |
| 751 | P | 90.8 | Very high | 79.3 | Confident | 19 Ų | 19 | 66.3 Ų | 66.3 | 12% | 0.123 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -52.7 | -24.4 | 177.3 | -28.9 | 36.7 | 0 | 0 | 0 | 114.7 | A694 Y695 E753 L754 L817 | A694-P751 HydrophobicContact CB-CB 4Å; A694-P751 HydrophobicContact CB-CG 4Å; A694-P751 WeakPolarHBondContact O-CB 3.37Å; Y695-P751 HydrophobicContact CD1-CG 3.93Å; Y695-P751 HydrophobicContact CD2-CG 4.33Å; Y695-P751 HydrophobicContact CE1-CG 3.51Å; Y695-P751 HydrophobicContact CE2-CG 3.93Å; Y695-P751 HydrophobicContact CG-CG 4.32Å; Y695-P751 VanDerWaalsContact CZ-CG 3.49Å; P751-E753 PolarHBondContact O-N 2.89Å; P751-L754 VanDerWaalsContact O-CB 3.29Å; P751-L754 WeakPolarHBondContact O-CB 3.19Å; P751-L754 PolarHBondContact O-N 2.78Å; P751-L817 HydrophobicContact CB-CD2 4.14Å |
| 752 | R | 92.2 | Very high | 82.1 | Confident | 178 Ų | 178 | 60.9 Ų | 60.9 | 67% | 0.672 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -61.2 | -22.8 | 176.8 | -63.2 | 170.7 | -178.4 | 172.7 | 1.4 | 112.8 | D750 L754 I755 | D750-R752 PolarHBondContact O-N 2.85Å; D750-R752 WeakPolarHBondContact OD1-CB 3.43Å; D750-R752 VanDerWaalsContact OD1-CG 3.29Å; D750-R752 WeakPolarHBondContact OD1-CG 3.15Å; D750-R752 PolarHBondContact OD1-N 2.87Å; R752-L754 PolarHBondContact O-N 3.43Å; R752-L754 VanDerWaalsContact O-N 3.11Å; R752-I755 HydrophobicContact CB-CD1 4.1Å; R752-I755 HydrophobicContact CG-CD1 4.37Å; R752-I755 WeakPolarHBondContact O-CB 3.42Å; R752-I755 WeakPolarHBondContact O-CG1 3.36Å; R752-I755 PolarHBondContact O-N 3.15Å; R752-I755 VanDerWaalsContact O-N 3.1Å |
| 753 | E | 89.4 | Confident | 84.6 | Confident | 71 Ų | 71 | 51.6 Ų | 51.6 | 33% | 0.332 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -59.9 | -19.2 | 172.4 | -73 | -172.4 | -142.5 | 0 | 0 | 113.2 | I748 D750 P751 K757 K921 | I748-E753 HydrophobicContact CG2-CB 3.88Å; I748-E753 HydrophobicContact CG2-CG 4.24Å; D750-E753 WeakPolarHBondContact O-CB 3.46Å; D750-E753 PolarHBondContact O-N 3.44Å; P751-E753 PolarHBondContact O-N 2.89Å; E753-K757 VanDerWaalsContact O-CD 3.31Å; E753-K757 WeakPolarHBondContact O-CD 3.16Å; E753-K757 WeakPolarHBondContact O-CE 3.31Å; E753-K757 PolarHBondContact O-NZ 3.12Å; E753-K921 IonicContact OE2-NZ 3.75Å; E753-K921 PolarHBondContact OE2-NZ 3.47Å |
| 754 | L | 90.7 | Very high | 86.7 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -78.4 | -21.5 | 178.2 | -66.4 | 177.3 | 0 | 0 | 0 | 113.1 | A694 I748 P751 R752 G756 K757 Y759 I812 L817 | A694-L754 WeakPolarHBondContact O-CD1 3.09Å; I748-L754 HydrophobicContact CD1-CD2 3.32Å; I748-L754 HydrophobicContact CD1-CG 3.86Å; P751-L754 VanDerWaalsContact O-CB 3.29Å; P751-L754 WeakPolarHBondContact O-CB 3.19Å; P751-L754 PolarHBondContact O-N 2.78Å; R752-L754 PolarHBondContact O-N 3.43Å; R752-L754 VanDerWaalsContact O-N 3.11Å; L754-G756 PolarHBondContact O-N 2.95Å; L754-K757 WeakPolarHBondContact O-CB 3.34Å; L754-K757 PolarHBondContact O-N 3.14Å; L754-Y759 HydrophobicContact CD1-CD2 4.07Å; L754-Y759 HydrophobicContact CD1-CE2 3.86Å; L754-Y759 HydrophobicContact CD2-CD2 3.77Å; L754-Y759 HydrophobicContact CD2-CE2 3.93Å; L754-I812 HydrophobicContact CB-CB 4.33Å; L754-I812 HydrophobicContact CB-CG1 4.33Å; L754-I812 HydrophobicContact CB-CG2 3.97Å; L754-I812 WeakPolarHBondContact O-CB 3.3Å; L754-L817 HydrophobicContact CB-CD2 4.33Å; L754-L817 HydrophobicContact CD1-CD2 4.22Å |
| 755 | I | 93.7 | Very high | 88.5 | Confident | 58 Ų | 58 | 42.3 Ų | 42.3 | 30% | 0.297 | 21% | 0.214 | S | C | . | . | B | Isolated β-bridge | trans | -56.6 | 131.9 | -174 | -62.3 | 169.7 | 0 | 0 | 0 | 110.5 | R752 K757 I812 H814 L817 | R752-I755 HydrophobicContact CB-CD1 4.1Å; R752-I755 HydrophobicContact CG-CD1 4.37Å; R752-I755 WeakPolarHBondContact O-CB 3.42Å; R752-I755 WeakPolarHBondContact O-CG1 3.36Å; R752-I755 PolarHBondContact O-N 3.15Å; R752-I755 VanDerWaalsContact O-N 3.1Å; I755-K757 PolarHBondContact O-N 3.05Å; I755-I812 WeakPolarHBondContact CA-O 3.26Å; I755-H814 WeakPolarHBondContact CD1-NE2 3.29Å; I755-L817 HydrophobicContact CD1-CD1 3.89Å; I755-L817 HydrophobicContact CG1-CD1 3.59Å |
| 756 | G | 91.5 | Very high | 89.6 | Confident | 39 Ų | 39 | 43 Ų | 43 | 40% | 0.402 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | -1.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115 | L754 I812 | L754-G756 PolarHBondContact O-N 2.95Å; G756-I812 PolarHBondContact N-O 2.82Å |
| 757 | K | 91 | Very high | 90.1 | Very high | 94 Ų | 94 | 44.1 Ų | 44.1 | 41% | 0.409 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -99.2 | 149.7 | 179.1 | -60.5 | 177.8 | -176.6 | 160.2 | 0 | 111.4 | E753 L754 I755 I812 | E753-K757 VanDerWaalsContact O-CD 3.31Å; E753-K757 WeakPolarHBondContact O-CD 3.16Å; E753-K757 WeakPolarHBondContact O-CE 3.31Å; E753-K757 PolarHBondContact O-NZ 3.12Å; L754-K757 WeakPolarHBondContact O-CB 3.34Å; L754-K757 PolarHBondContact O-N 3.14Å; I755-K757 PolarHBondContact O-N 3.05Å; K757-I812 PolarHBondContact O-N 2.88Å |
| 758 | P | 91.7 | Very high | 90.5 | Very high | 74 Ų | 74 | 44.5 Ų | 44.5 | 48% | 0.481 | 23% | 0.234 | S | C | . | . | trans | -66 | 141.3 | 168.4 | 28.8 | -34.3 | 0 | 0 | 0 | 110 | A725 I809 D810 | A725-P758 HydrophobicContact CB-CB 4.48Å; P758-I809 WeakPolarHBondContact CA-O 3.39Å; P758-D810 WeakPolarHBondContact CA-O 3.29Å; P758-D810 WeakPolarHBondContact CB-O 3.48Å | ||
| 759 | Y | 92.3 | Very high | 90.7 | Very high | 5 Ų | 5 | 47.9 Ų | 47.9 | 2% | 0.02 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 135.4 | -179.4 | -167 | -90 | 0 | 0 | 0 | 109.5 | L693 R696 P722 L754 F761 I809 I812 F820 | L693-Y759 PolarHBondContact O-OH 3.48Å; R696-Y759 HydrophobicContact CG-CE2 3.64Å; P722-Y759 WeakPolarHBondContact CG-OH 3.33Å; L754-Y759 HydrophobicContact CD1-CD2 4.07Å; L754-Y759 HydrophobicContact CD1-CE2 3.86Å; L754-Y759 HydrophobicContact CD2-CD2 3.77Å; L754-Y759 HydrophobicContact CD2-CE2 3.93Å; Y759-F761 HydrophobicContact CD1-CD1 4.14Å; Y759-F761 HydrophobicContact CE1-CB 4.36Å; Y759-F761 AromaticContact CE1-CD1 3.88Å; Y759-F761 HydrophobicContact CE1-CD1 3.88Å; Y759-I809 PolarHBondContact N-O 2.95Å; Y759-I809 PolarHBondContact O-N 3.36Å; Y759-I812 VanDerWaalsContact CB-CG1 3.47Å; Y759-I812 HydrophobicContact CD1-CD1 4.41Å; Y759-I812 HydrophobicContact CG-CD1 4.04Å; Y759-I812 HydrophobicContact CG-CG1 4.17Å; Y759-F820 HydrophobicContact CD1-CE2 4.2Å; Y759-F820 HydrophobicContact CD1-CZ 4.13Å; Y759-F820 HydrophobicContact CE1-CE2 4.18Å; Y759-F820 HydrophobicContact CE1-CZ 4.16Å |
| 760 | S | 93.2 | Very high | 90.8 | Very high | 5 Ų | 5 | 43.1 Ų | 43.1 | 4% | 0.035 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 148.9 | 175.3 | -60.5 | 0 | 0 | 0 | 0 | 110 | C723 Y807 S808 | C723-S760 PolarHBondContact N-O 2.86Å; C723-S760 VanDerWaalsContact O-O 3.1Å; S760-Y807 CarbonylContact C-O 3.59Å; S760-Y807 WeakPolarHBondContact CA-O 3.37Å; S760-Y807 WeakPolarHBondContact CB-O 3.34Å; S760-S808 WeakPolarHBondContact OG-CA 3.24Å; S760-S808 WeakPolarHBondContact OG-CB 3.44Å; S760-S808 PolarHBondContact OG-OG 3.5Å |
| 761 | F | 94.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 148.2 | 172.2 | 64 | -85.3 | 0 | 0 | 0 | 110.3 | L693 I721 Y759 I763 I786 Y807 F820 I825 | L693-F761 HydrophobicContact CD1-CD1 4.22Å; L693-F761 HydrophobicContact CD1-CD2 3.86Å; L693-F761 HydrophobicContact CD1-CE1 4.19Å; L693-F761 HydrophobicContact CD1-CE2 3.85Å; L693-F761 HydrophobicContact CD1-CG 4.05Å; L693-F761 HydrophobicContact CD1-CZ 4.02Å; L693-F761 HydrophobicContact CD2-CB 4.38Å; L693-F761 HydrophobicContact CD2-CG 4.49Å; I721-F761 CarbonylContact O-C 3.43Å; I721-F761 WeakPolarHBondContact O-CA 3.29Å; I721-F761 WeakPolarHBondContact O-CB 3.43Å; Y759-F761 HydrophobicContact CD1-CD1 4.14Å; Y759-F761 HydrophobicContact CE1-CB 4.36Å; Y759-F761 AromaticContact CE1-CD1 3.88Å; Y759-F761 HydrophobicContact CE1-CD1 3.88Å; F761-I763 HydrophobicContact CD2-CG1 3.95Å; F761-I763 HydrophobicContact CE2-CD1 3.86Å; F761-I763 HydrophobicContact CE2-CG1 3.66Å; F761-I786 HydrophobicContact CZ-CG2 4.22Å; F761-Y807 HydrophobicContact CD1-CD1 4.2Å; F761-Y807 AromaticContact CE1-CD1 3.4Å; F761-Y807 HydrophobicContact CE1-CD1 3.4Å; F761-Y807 HydrophobicContact CE1-CE1 4.18Å; F761-Y807 HydrophobicContact CE1-CG 4.18Å; F761-Y807 AromaticContact CZ-CD1 3.73Å; F761-Y807 HydrophobicContact CZ-CD1 3.73Å; F761-Y807 HydrophobicContact CZ-CG 4.18Å; F761-Y807 PolarHBondContact N-O 2.77Å; F761-Y807 PolarHBondContact O-N 3.48Å; F761-F820 HydrophobicContact CE1-CE1 4.07Å; F761-F820 HydrophobicContact CE1-CZ 4.15Å; F761-I825 HydrophobicContact CE2-CD1 4.25Å |
| 762 | K | 93.7 | Very high | 89.7 | Confident | 71 Ų | 71 | 48 Ų | 48 | 31% | 0.309 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 135.9 | 174.7 | -68.6 | 173.5 | -174.8 | 168.9 | 0 | 109.3 | L720 I721 I764 T804 R805 L806 | L720-K762 CarbonylContact C-O 3.52Å; L720-K762 WeakPolarHBondContact CA-O 3.42Å; I721-K762 PolarHBondContact N-O 3.25Å; I721-K762 PolarHBondContact O-N 3.4Å; K762-I764 HydrophobicContact CB-CG1 4.44Å; K762-T804 HydrophobicContact CB-CG2 4.48Å; K762-T804 HydrophobicContact CD-CG2 4.49Å; K762-R805 CarbonylContact C-O 3.58Å; K762-R805 WeakPolarHBondContact CA-O 3.29Å; K762-L806 HydrophobicContact CG-CD1 3.85Å |
| 763 | I | 95 | Very high | 88.5 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 118.1 | 169.3 | -58.3 | 166.2 | 0 | 0 | 0 | 106.4 | K719 L720 F761 L765 Y784 I786 T804 R805 I825 F827 | K719-I763 WeakPolarHBondContact O-CA 3.4Å; L720-I763 HydrophobicContact CD2-CB 4.26Å; L720-I763 HydrophobicContact CD2-CG1 3.83Å; L720-I763 HydrophobicContact CD2-CG2 4.03Å; F761-I763 HydrophobicContact CD2-CG1 3.95Å; F761-I763 HydrophobicContact CE2-CD1 3.86Å; F761-I763 HydrophobicContact CE2-CG1 3.66Å; I763-L765 HydrophobicContact CG2-CD2 4.5Å; I763-Y784 HydrophobicContact CD1-CE2 3.89Å; I763-Y784 HydrophobicContact CG2-CE2 4.44Å; I763-I786 HydrophobicContact CD1-CD1 3.2Å; I763-I786 HydrophobicContact CD1-CG1 3.91Å; I763-T804 CarbonylContact O-C 3.58Å; I763-T804 WeakPolarHBondContact O-CA 3.47Å; I763-R805 HydrophobicContact CB-CB 4.49Å; I763-R805 PolarHBondContact N-O 2.82Å; I763-R805 PolarHBondContact O-N 2.9Å; I763-I825 HydrophobicContact CD1-CD1 3.96Å; I763-F827 HydrophobicContact CG2-CE1 4.12Å; I763-F827 HydrophobicContact CG2-CZ 3.91Å |
| 764 | I | 94 | Very high | 87.5 | Confident | 35 Ų | 35 | 45.9 Ų | 45.9 | 18% | 0.179 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 119.9 | 179.7 | -51.8 | 177.5 | 0 | 0 | 0 | 107.9 | I718 K719 I721 K762 H803 T804 | I718-I764 WeakPolarHBondContact CA-O 3.14Å; K719-I764 HydrophobicContact CB-CB 4.06Å; K719-I764 HydrophobicContact CB-CD1 4.46Å; K719-I764 HydrophobicContact CG-CB 4.43Å; K719-I764 PolarHBondContact N-O 3.23Å; K719-I764 PolarHBondContact O-N 2.91Å; I721-I764 HydrophobicContact CD1-CD1 3.77Å; K762-I764 HydrophobicContact CB-CG1 4.44Å; I764-H803 CarbonylContact C-O 3.53Å; I764-H803 VanDerWaalsContact CA-O 3.26Å; I764-H803 WeakPolarHBondContact CA-O 3.43Å; I764-T804 HydrophobicContact CG1-CG2 4.17Å |
| 765 | L | 92.8 | Very high | 86.4 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 120.1 | 170.5 | -55.9 | -178.9 | 0 | 0 | 0 | 108.4 | I718 I763 V782 Y784 V795 S802 H803 F827 | I718-L765 HydrophobicContact CD1-CD2 4.49Å; I718-L765 HydrophobicContact CG1-CD2 3.73Å; I763-L765 HydrophobicContact CG2-CD2 4.5Å; L765-V782 HydrophobicContact CD1-CB 4.26Å; L765-V782 HydrophobicContact CD1-CG1 4.07Å; L765-Y784 HydrophobicContact CD1-CD1 4.5Å; L765-Y784 HydrophobicContact CD1-CE1 4.08Å; L765-V795 HydrophobicContact CD1-CB 4.07Å; L765-V795 HydrophobicContact CD1-CG1 4.08Å; L765-V795 HydrophobicContact CD1-CG2 4.06Å; L765-S802 VanDerWaalsContact O-CA 3.27Å; L765-S802 WeakPolarHBondContact O-CA 3.5Å; L765-H803 HydrophobicContact CB-CB 4.19Å; L765-H803 PolarHBondContact N-O 3.15Å; L765-H803 PolarHBondContact O-N 3.4Å; L765-H803 VanDerWaalsContact O-N 3.13Å; L765-F827 HydrophobicContact CD2-CD1 3.77Å; L765-F827 HydrophobicContact CD2-CE1 3.5Å; L765-F827 HydrophobicContact CD2-CG 4.5Å; L765-F827 HydrophobicContact CD2-CZ 3.99Å; L765-F827 HydrophobicContact CG-CE1 4.5Å |
| 766 | G | 87.7 | Confident | 85 | Confident | 21 Ų | 21 | 47 Ų | 47 | 22% | 0.216 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | -145.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | H717 | H717-G766 WeakPolarHBondContact O-CA 3.24Å; H717-G766 PolarHBondContact O-N 3.01Å |
| 767 | S | 86.6 | Confident | 83.9 | Confident | 63 Ų | 63 | 52.3 Ų | 52.3 | 44% | 0.441 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 138.3 | -179.5 | 52.5 | 0 | 0 | 0 | 0 | 112 | I716 H717 | I716-S767 WeakPolarHBondContact CA-O 3.03Å; H717-S767 PolarHBondContact N-O 3.18Å |
| 768 | L | 88.2 | Confident | 83.2 | Confident | 17 Ų | 17 | 49.7 Ų | 49.7 | 9% | 0.089 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 123.4 | 167.9 | -179.7 | 158.8 | 0 | 0 | 0 | 107.6 | I705 I716 L770 Y780 V782 I797 I829 | I705-L768 HydrophobicContact CD1-CD1 4.41Å; I705-L768 HydrophobicContact CD1-CG 4.02Å; I716-L768 HydrophobicContact CD1-CD1 4.38Å; I716-L768 HydrophobicContact CG1-CB 4.4Å; L768-L770 HydrophobicContact CD2-CD1 4.42Å; L768-L770 HydrophobicContact CD2-CD2 4.36Å; L768-L770 HydrophobicContact CD2-CG 3.93Å; L768-Y780 HydrophobicContact CD1-CG 4.42Å; L768-Y780 HydrophobicContact CD2-CD2 4.22Å; L768-Y780 HydrophobicContact CD2-CE2 4.47Å; L768-Y780 HydrophobicContact CD2-CG 4.32Å; L768-V782 HydrophobicContact CD1-CG2 4.27Å; L768-I797 HydrophobicContact CB-CD1 3.95Å; L768-I797 HydrophobicContact CB-CG2 4.29Å; L768-I797 HydrophobicContact CD1-CD1 3.91Å; L768-I829 HydrophobicContact CD1-CG1 3.93Å; L768-I829 HydrophobicContact CD1-CG2 3.84Å |
| 769 | N | 87.1 | Confident | 82.7 | Confident | 77 Ų | 77 | 53.7 Ų | 53.7 | 41% | 0.412 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 115.9 | -178.4 | -60.7 | -49.9 | 0 | 0 | 0 | 109.5 | G714 T715 | G714-N769 CarbonylContact C-O 3.42Å; G714-N769 WeakPolarHBondContact CA-O 3.07Å; T715-N769 PolarHBondContact N-O 2.74Å; T715-N769 PolarHBondContact O-N 2.99Å |
| 770 | L | 84.3 | Confident | 82.5 | Confident | 7 Ų | 7 | 54 Ų | 54 | 4% | 0.037 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 149.4 | 171.6 | -60.8 | 175.7 | 0 | 0 | 0 | 110.6 | I683 I705 L713 L768 D772 Q775 N776 Y780 | I683-L770 HydrophobicContact CG2-CD1 4.48Å; I683-L770 HydrophobicContact CG2-CD2 4.47Å; I705-L770 HydrophobicContact CD1-CD2 3.77Å; L713-L770 HydrophobicContact CB-CD2 4.32Å; L713-L770 WeakPolarHBondContact O-CA 3.44Å; L768-L770 HydrophobicContact CD2-CD1 4.42Å; L768-L770 HydrophobicContact CD2-CD2 4.36Å; L768-L770 HydrophobicContact CD2-CG 3.93Å; L770-D772 VanDerWaalsContact C-N 3.25Å; L770-D772 PolarHBondContact O-N 2.97Å; L770-Q775 HydrophobicContact CB-CB 4.41Å; L770-Q775 HydrophobicContact CD1-CB 3.89Å; L770-N776 WeakPolarHBondContact CB-OD1 3.36Å; L770-N776 PolarHBondContact N-OD1 3.38Å; L770-N776 PolarHBondContact O-ND2 3.08Å; L770-Y780 HydrophobicContact CD1-CE1 3.68Å; L770-Y780 HydrophobicContact CD1-CE2 4.42Å; L770-Y780 VanDerWaalsContact CD1-OH 3.27Å; L770-Y780 WeakPolarHBondContact CD1-OH 3.41Å |
| 771 | Y | 80.2 | Confident | 82.5 | Confident | 136 Ų | 136 | 54.3 Ų | 54.3 | 53% | 0.533 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -67.5 | -27.1 | 179.8 | -64.4 | -37.5 | 0 | 0 | 0 | 112.9 | E712 L713 P773 | E712-Y771 HydrophobicContact CB-CE2 4.24Å; E712-Y771 HydrophobicContact CG-CE2 3.77Å; E712-Y771 WeakPolarHBondContact O-CD2 3.26Å; E712-Y771 PolarHBondContact OE1-OH 3.11Å; L713-Y771 VanDerWaalsContact C-CD2 3.45Å; L713-Y771 PolarHBondContact O-N 3.25Å; Y771-P773 VanDerWaalsContact O-CD 3.32Å; Y771-P773 WeakPolarHBondContact O-CD 3.36Å |
| 772 | D | 74.9 | Confident | 82.4 | Confident | 53 Ų | 53 | 54.3 Ų | 54.3 | 28% | 0.283 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -80.8 | 114.8 | 171.9 | -176 | -8.2 | 0 | 0 | 0 | 110.9 | L770 E774 Q775 N776 | L770-D772 VanDerWaalsContact C-N 3.25Å; L770-D772 PolarHBondContact O-N 2.97Å; D772-E774 VanDerWaalsContact C-N 3.28Å; D772-E774 PolarHBondContact O-N 2.79Å; D772-E774 PolarHBondContact OD1-N 3Å; D772-Q775 HydrophobicContact CB-CB 4.07Å; D772-Q775 HydrophobicContact CB-CG 3.91Å; D772-Q775 PolarHBondContact O-N 3.15Å; D772-Q775 WeakPolarHBondContact OD2-CG 3.39Å; D772-Q775 PolarHBondContact OD2-NE2 2.98Å; D772-N776 PolarHBondContact O-N 3.07Å |
| 773 | P | 66.6 | Low | 82.4 | Confident | 93 Ų | 93 | 53.7 Ų | 53.7 | 60% | 0.604 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -29.2 | 180 | -19.5 | 32.4 | 0 | 0 | 0 | 114.1 | Y771 Q775 N776 | Y771-P773 VanDerWaalsContact O-CD 3.32Å; Y771-P773 WeakPolarHBondContact O-CD 3.36Å; P773-Q775 VanDerWaalsContact C-N 3.33Å; P773-N776 PolarHBondContact O-N 2.98Å |
| 774 | E | 68.2 | Low | 82.4 | Confident | 113 Ų | 113 | 53.7 Ų | 53.7 | 53% | 0.528 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -33.1 | 178.9 | -72.7 | -59.1 | 142.7 | 0 | 0 | 111.1 | D772 N776 K777 | D772-E774 VanDerWaalsContact C-N 3.28Å; D772-E774 PolarHBondContact O-N 2.79Å; D772-E774 PolarHBondContact OD1-N 3Å; E774-N776 VanDerWaalsContact C-N 3.35Å; E774-K777 PolarHBondContact O-N 3Å; E774-K777 IonicContact OE1-NZ 3.68Å; E774-K777 PolarHBondContact OE1-NZ 2.83Å; E774-K777 IonicContact OE2-NZ 2.91Å; E774-K777 PolarHBondContact OE2-NZ 2.76Å |
| 775 | Q | 67.4 | Low | 82.4 | Confident | 13 Ų | 13 | 53.7 Ų | 53.7 | 6% | 0.061 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -66.3 | -36.9 | 175.1 | -72.2 | -179.8 | 47.5 | 0 | 0 | 111.6 | L770 D772 P773 K777 R778 Y780 V844 | L770-Q775 HydrophobicContact CB-CB 4.41Å; L770-Q775 HydrophobicContact CD1-CB 3.89Å; D772-Q775 HydrophobicContact CB-CB 4.07Å; D772-Q775 HydrophobicContact CB-CG 3.91Å; D772-Q775 PolarHBondContact O-N 3.15Å; D772-Q775 WeakPolarHBondContact OD2-CG 3.39Å; D772-Q775 PolarHBondContact OD2-NE2 2.98Å; P773-Q775 VanDerWaalsContact C-N 3.33Å; Q775-K777 PolarHBondContact O-N 2.82Å; Q775-R778 WeakPolarHBondContact O-CB 3.4Å; Q775-R778 PolarHBondContact O-N 2.95Å; Q775-Y780 WeakPolarHBondContact CB-OH 2.98Å; Q775-Y780 WeakPolarHBondContact O-CE2 3.22Å; Q775-Y780 PolarHBondContact O-OH 3.47Å; Q775-V844 VanDerWaalsContact NE2-CG2 3.29Å |
| 776 | N | 63.8 | Low | 82.4 | Confident | 70 Ų | 70 | 53.7 Ų | 53.7 | 37% | 0.374 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -61 | -13.8 | -179.7 | -71.6 | -35.8 | 0 | 0 | 0 | 114.9 | L770 D772 P773 E774 R778 | L770-N776 WeakPolarHBondContact CB-OD1 3.36Å; L770-N776 PolarHBondContact N-OD1 3.38Å; L770-N776 PolarHBondContact O-ND2 3.08Å; D772-N776 PolarHBondContact O-N 3.07Å; P773-N776 PolarHBondContact O-N 2.98Å; E774-N776 VanDerWaalsContact C-N 3.35Å; N776-R778 VanDerWaalsContact C-N 3.31Å |
| 777 | K | 69.4 | Low | 82.6 | Confident | 150 Ų | 150 | 53.6 Ų | 53.6 | 65% | 0.652 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -81.2 | -6.2 | 175.8 | -61.5 | 175.4 | -168.1 | 159.4 | 0 | 113.9 | E774 Q775 | E774-K777 PolarHBondContact O-N 3Å; E774-K777 IonicContact OE1-NZ 3.68Å; E774-K777 PolarHBondContact OE1-NZ 2.83Å; E774-K777 IonicContact OE2-NZ 2.91Å; E774-K777 PolarHBondContact OE2-NZ 2.76Å; Q775-K777 PolarHBondContact O-N 2.82Å |
| 778 | R | 75.2 | Confident | 82.8 | Confident | 39 Ų | 39 | 55.8 Ų | 55.8 | 15% | 0.147 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -92.5 | 168 | -173.1 | -64.4 | -171.5 | 166.1 | -174.1 | -9 | 113.1 | Q775 N776 Y780 C831 D837 | Q775-R778 WeakPolarHBondContact O-CB 3.4Å; Q775-R778 PolarHBondContact O-N 2.95Å; N776-R778 VanDerWaalsContact C-N 3.31Å; R778-Y780 HydrophobicContact CB-CE2 4.03Å; R778-Y780 WeakPolarHBondContact O-CD2 3.22Å; R778-Y780 WeakPolarHBondContact O-CE2 3.27Å; R778-C831 WeakPolarHBondContact CD-SG 3.27Å; R778-D837 IonicContact CZ-OD1 3.56Å; R778-D837 IonicContact CZ-OD2 2.68Å; R778-D837 IonicContact NH2-OD1 2.79Å; R778-D837 PolarHBondContact NH2-OD1 2.84Å; R778-D837 IonicContact NH2-OD2 2.88Å; R778-D837 PolarHBondContact NH2-OD2 2.79Å; R778-D837 VanDerWaalsContact NH2-OD2 3.1Å |
| 779 | K | 82.9 | Confident | 83 | Confident | 158 Ų | 158 | 56.7 Ų | 56.7 | 69% | 0.687 | 26% | 0.263 | S | S | * | . | trans | -90.5 | 125.4 | 175.3 | -65 | -178.3 | -179.1 | 178.6 | 0 | 109.6 | S832 | K779-S832 PolarHBondContact O-N 2.86Å; K779-S832 PolarHBondContact O-OG 2.91Å | ||
| 780 | Y | 88 | Confident | 83.1 | Confident | 10 Ų | 10 | 57.2 Ų | 57.2 | 4% | 0.039 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 140.5 | -180 | -65.9 | -81.8 | 0 | 0 | 0 | 111.2 | I683 L768 L770 Q775 R778 K796 I797 I829 Y830 C831 | I683-Y780 HydrophobicContact CG1-CE1 4.29Å; L768-Y780 HydrophobicContact CD1-CG 4.42Å; L768-Y780 HydrophobicContact CD2-CD2 4.22Å; L768-Y780 HydrophobicContact CD2-CE2 4.47Å; L768-Y780 HydrophobicContact CD2-CG 4.32Å; L770-Y780 HydrophobicContact CD1-CE1 3.68Å; L770-Y780 HydrophobicContact CD1-CE2 4.42Å; L770-Y780 VanDerWaalsContact CD1-OH 3.27Å; L770-Y780 WeakPolarHBondContact CD1-OH 3.41Å; Q775-Y780 WeakPolarHBondContact CB-OH 2.98Å; Q775-Y780 WeakPolarHBondContact O-CE2 3.22Å; Q775-Y780 PolarHBondContact O-OH 3.47Å; R778-Y780 HydrophobicContact CB-CE2 4.03Å; R778-Y780 WeakPolarHBondContact O-CD2 3.22Å; R778-Y780 WeakPolarHBondContact O-CE2 3.27Å; Y780-K796 WeakPolarHBondContact O-CA 3.19Å; Y780-I797 PolarHBondContact O-N 3.39Å; Y780-I829 HydrophobicContact CD1-CG2 3.77Å; Y780-I829 HydrophobicContact CE1-CG2 4.44Å; Y780-Y830 CarbonylContact C-O 3.38Å; Y780-Y830 VanDerWaalsContact CA-O 3.27Å; Y780-Y830 WeakPolarHBondContact CA-O 3.49Å; Y780-C831 HydrophobicContact CD1-CB 4Å; Y780-C831 HydrophobicContact CE1-CB 3.7Å |
| 781 | T | 91.7 | Very high | 83.4 | Confident | 13 Ų | 13 | 64.3 Ų | 64.3 | 8% | 0.08 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 122.7 | 169.2 | -51.2 | 0 | 0 | 0 | 0 | 108.3 | Y783 A794 V795 Y830 | T781-Y783 HydrophobicContact CG2-CD2 4Å; T781-Y783 HydrophobicContact CG2-CE1 4.16Å; T781-Y783 HydrophobicContact CG2-CE2 3.41Å; T781-Y783 VanDerWaalsContact CG2-CE2 3.41Å; T781-Y783 VanDerWaalsContact CG2-CZ 3.5Å; T781-A794 HydrophobicContact CG2-CB 4.12Å; T781-V795 CarbonylContact C-O 3.57Å; T781-V795 WeakPolarHBondContact CA-O 3.46Å; T781-Y830 PolarHBondContact N-O 2.9Å; T781-Y830 PolarHBondContact O-N 2.78Å |
| 782 | V | 93.6 | Very high | 84 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 123.8 | 172.6 | 178.5 | 0 | 0 | 0 | 0 | 108.9 | I716 L765 L768 V795 I797 F827 M828 I829 | I716-V782 HydrophobicContact CD1-CG2 4.14Å; L765-V782 HydrophobicContact CD1-CB 4.26Å; L765-V782 HydrophobicContact CD1-CG1 4.07Å; L768-V782 HydrophobicContact CD1-CG2 4.27Å; V782-V795 PolarHBondContact N-O 3.31Å; V782-V795 PolarHBondContact O-N 2.71Å; V782-I797 HydrophobicContact CB-CD1 4.39Å; V782-I797 HydrophobicContact CG2-CD1 3.37Å; V782-I797 HydrophobicContact CG2-CG1 3.98Å; V782-F827 HydrophobicContact CG1-CB 3.91Å; V782-F827 HydrophobicContact CG1-CD1 3.9Å; V782-F827 HydrophobicContact CG1-CG 4.39Å; V782-M828 CarbonylContact C-O 3.55Å; V782-M828 WeakPolarHBondContact CA-O 3.31Å; V782-I829 HydrophobicContact CG2-CG1 4.32Å |
| 783 | Y | 94 | Very high | 84.8 | Confident | 58 Ų | 58 | 60 Ų | 60 | 23% | 0.227 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 133.9 | 174.3 | -64.9 | -91.4 | 0 | 0 | 0 | 110.1 | T781 L792 T793 A794 M828 Y830 | T781-Y783 HydrophobicContact CG2-CD2 4Å; T781-Y783 HydrophobicContact CG2-CE1 4.16Å; T781-Y783 HydrophobicContact CG2-CE2 3.41Å; T781-Y783 VanDerWaalsContact CG2-CE2 3.41Å; T781-Y783 VanDerWaalsContact CG2-CZ 3.5Å; Y783-L792 HydrophobicContact CD1-CB 4.07Å; Y783-L792 HydrophobicContact CD1-CD1 4.46Å; Y783-T793 VanDerWaalsContact CA-O 3.3Å; Y783-T793 WeakPolarHBondContact CA-O 3.34Å; Y783-A794 HydrophobicContact CD1-CB 3.72Å; Y783-A794 HydrophobicContact CE1-CB 3.4Å; Y783-M828 PolarHBondContact N-O 3.48Å; Y783-M828 PolarHBondContact O-N 2.78Å; Y783-Y830 AromaticContact CD2-CD2 3.45Å; Y783-Y830 HydrophobicContact CD2-CD2 3.45Å; Y783-Y830 VanDerWaalsContact CD2-CD2 3.45Å; Y783-Y830 AromaticContact CD2-CE2 3.96Å; Y783-Y830 HydrophobicContact CD2-CE2 3.96Å; Y783-Y830 HydrophobicContact CD2-CG 4.02Å; Y783-Y830 AromaticContact CE2-CD2 3.9Å; Y783-Y830 HydrophobicContact CE2-CD2 3.9Å; Y783-Y830 AromaticContact CE2-CG 3.98Å; Y783-Y830 HydrophobicContact CE2-CG 3.98Å |
| 784 | Y | 94.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 165.8 | 171.7 | 67.6 | -84 | 0 | 0 | 0 | 109.9 | I763 L765 I786 T793 V795 H803 R805 I825 C826 F827 | I763-Y784 HydrophobicContact CD1-CE2 3.89Å; I763-Y784 HydrophobicContact CG2-CE2 4.44Å; L765-Y784 HydrophobicContact CD1-CD1 4.5Å; L765-Y784 HydrophobicContact CD1-CE1 4.08Å; Y784-I786 HydrophobicContact CD2-CG1 4.35Å; Y784-I786 HydrophobicContact CE2-CD1 4.31Å; Y784-I786 HydrophobicContact CE2-CG1 4.39Å; Y784-T793 HydrophobicContact CD1-CG2 4.48Å; Y784-T793 HydrophobicContact CE1-CG2 3.74Å; Y784-T793 HydrophobicContact CE2-CG2 4.32Å; Y784-T793 PolarHBondContact N-O 2.92Å; Y784-T793 WeakPolarHBondContact O-CA 3.45Å; Y784-T793 WeakPolarHBondContact O-CB 3.35Å; Y784-T793 PolarHBondContact O-N 2.8Å; Y784-V795 HydrophobicContact CE1-CG2 3.74Å; Y784-H803 PolarHBondContact OH-NE2 2.94Å; Y784-R805 WeakPolarHBondContact OH-CB 3.35Å; Y784-R805 WeakPolarHBondContact OH-CD 3.46Å; Y784-I825 HydrophobicContact CD2-CG2 4.02Å; Y784-I825 HydrophobicContact CG-CG2 4.27Å; Y784-C826 WeakPolarHBondContact CB-O 3.34Å; Y784-F827 AromaticContact CD1-CD1 3.79Å; Y784-F827 HydrophobicContact CD1-CD1 3.79Å; Y784-F827 AromaticContact CD1-CE1 3.72Å; Y784-F827 HydrophobicContact CD1-CE1 3.72Å; Y784-F827 HydrophobicContact CD2-CE1 4.02Å; Y784-F827 HydrophobicContact CE1-CE1 4.2Å; Y784-F827 HydrophobicContact CE2-CE1 4.5Å; Y784-F827 AromaticContact CG-CD1 3.81Å; Y784-F827 HydrophobicContact CG-CD1 3.81Å; Y784-F827 AromaticContact CG-CE1 3.6Å; Y784-F827 HydrophobicContact CG-CE1 3.6Å |
| 785 | R | 93.6 | Very high | 87.2 | Confident | 35 Ų | 35 | 53.4 Ų | 53.4 | 13% | 0.132 | 27% | 0.265 | C | S | . | . | trans | -148.8 | 165.7 | 167.3 | 64.8 | 159.5 | -174.8 | -103.3 | -42 | 110.9 | A614 L615 K616 E789 L792 | A614-R785 PolarHBondContact O-NH1 2.55Å; A614-R785 PolarHBondContact O-NH2 3.24Å; L615-R785 VanDerWaalsContact CA-NH2 3.28Å; L615-R785 VanDerWaalsContact N-NH2 3.11Å; L615-R785 PolarHBondContact O-NH2 2.79Å; K616-R785 VanDerWaalsContact CA-CZ 3.46Å; R785-E789 WeakPolarHBondContact CA-OE2 3.42Å; R785-E789 HydrophobicContact CB-CB 4.09Å; R785-E789 WeakPolarHBondContact CD-O 3.38Å; R785-L792 HydrophobicContact CB-CD2 4.04Å; R785-L792 HydrophobicContact CG-CD2 3.91Å | ||
| 786 | I | 92.9 | Very high | 88.2 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | trans | -124 | 144.6 | -175.1 | -48.1 | 159.3 | 0 | 0 | 0 | 107.8 | F761 I763 Y784 K788 E789 R805 Y807 Y819 I825 | F761-I786 HydrophobicContact CZ-CG2 4.22Å; I763-I786 HydrophobicContact CD1-CD1 3.2Å; I763-I786 HydrophobicContact CD1-CG1 3.91Å; Y784-I786 HydrophobicContact CD2-CG1 4.35Å; Y784-I786 HydrophobicContact CE2-CD1 4.31Å; Y784-I786 HydrophobicContact CE2-CG1 4.39Å; I786-K788 PolarHBondContact O-N 3.37Å; I786-E789 PolarHBondContact N-OE2 3.23Å; I786-E789 VanDerWaalsContact O-CB 3.23Å; I786-E789 WeakPolarHBondContact O-CB 3.36Å; I786-E789 WeakPolarHBondContact O-CG 3.26Å; I786-E789 PolarHBondContact O-N 3.06Å; I786-R805 VanDerWaalsContact CD1-NH1 3.29Å; I786-Y807 HydrophobicContact CB-CD2 4.14Å; I786-Y807 HydrophobicContact CB-CE2 3.91Å; I786-Y807 HydrophobicContact CD1-CD2 3.43Å; I786-Y807 VanDerWaalsContact CD1-CD2 3.43Å; I786-Y807 HydrophobicContact CD1-CE2 4.08Å; I786-Y807 HydrophobicContact CD1-CG 3.72Å; I786-Y807 HydrophobicContact CG1-CD2 4.43Å; I786-Y807 HydrophobicContact CG2-CD1 4.06Å; I786-Y807 HydrophobicContact CG2-CD2 4.11Å; I786-Y807 HydrophobicContact CG2-CE1 3.77Å; I786-Y807 HydrophobicContact CG2-CE2 3.85Å; I786-Y807 HydrophobicContact CG2-CG 4.2Å; I786-Y819 HydrophobicContact CG2-CE1 4.13Å; I786-I825 HydrophobicContact CG1-CD1 4.07Å; I786-I825 HydrophobicContact CG1-CG1 4.4Å | ||
| 787 | F | 92.7 | Very high | 89 | Confident | 19 Ų | 19 | 58.8 Ų | 58.8 | 8% | 0.083 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 15.3 | 98.8 | 168.6 | -167.8 | -107.7 | 0 | 0 | 0 | 117.1 | Y617 E789 E815 H816 Y819 | Y617-F787 AromaticContact CD1-CD2 3.98Å; Y617-F787 HydrophobicContact CD1-CD2 3.98Å; Y617-F787 AromaticContact CD1-CE2 3.66Å; Y617-F787 HydrophobicContact CD1-CE2 3.66Å; Y617-F787 HydrophobicContact CE1-CD2 4.39Å; Y617-F787 AromaticContact CE1-CE2 3.7Å; Y617-F787 HydrophobicContact CE1-CE2 3.7Å; Y617-F787 HydrophobicContact CG-CD2 4.17Å; Y617-F787 HydrophobicContact CG-CE2 4.27Å; F787-E789 PolarHBondContact O-N 3.38Å; F787-E815 HydrophobicContact CE2-CG 3.99Å; F787-E815 HydrophobicContact CZ-CB 4.31Å; F787-E815 HydrophobicContact CZ-CG 3.82Å; F787-H816 AromaticContact CD1-CD2 3.52Å; F787-H816 AromaticContact CD1-NE2 3.56Å; F787-H816 AromaticContact CE1-CD2 3.3Å; F787-H816 WeakPolarHBondContact CE1-CD2 3.29Å; F787-H816 AromaticContact CE1-CE1 3.92Å; F787-H816 AromaticContact CE1-NE2 3.19Å; F787-H816 WeakPolarHBondContact CE1-NE2 2.99Å; F787-H816 AromaticContact CZ-CD2 3.75Å; F787-H816 AromaticContact CZ-NE2 3.98Å; F787-Y819 HydrophobicContact CB-CD1 3.87Å; F787-Y819 HydrophobicContact CB-CE1 3.69Å; F787-Y819 HydrophobicContact CB-CG 4.35Å; F787-Y819 AromaticContact CD2-CD1 3.71Å; F787-Y819 HydrophobicContact CD2-CD1 3.71Å; F787-Y819 AromaticContact CD2-CD2 3.85Å; F787-Y819 HydrophobicContact CD2-CD2 3.85Å; F787-Y819 HydrophobicContact CD2-CE1 4.31Å; F787-Y819 HydrophobicContact CD2-CE2 4.46Å; F787-Y819 AromaticContact CD2-CG 3.44Å; F787-Y819 HydrophobicContact CD2-CG 3.44Å; F787-Y819 VanDerWaalsContact CD2-CG 3.44Å; F787-Y819 HydrophobicContact CE2-CG 4.15Å; F787-Y819 HydrophobicContact CG-CD1 4.15Å; F787-Y819 HydrophobicContact CG-CE1 4.45Å; F787-Y819 HydrophobicContact CG-CG 4.31Å; F787-Y819 PolarHBondContact N-OH 3.06Å |
| 788 | K | 90.4 | Very high | 89.1 | Confident | 109 Ų | 109 | 56.8 Ų | 56.8 | 47% | 0.474 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 8.2 | 175.3 | -61.6 | -177 | 171.9 | 177.9 | 0 | 117.1 | Y617 I786 S790 E815 | Y617-K788 HydrophobicContact CD1-CG 4.15Å; I786-K788 PolarHBondContact O-N 3.37Å; K788-S790 PolarHBondContact O-N 3.13Å; K788-E815 WeakPolarHBondContact CE-OE1 3.19Å; K788-E815 IonicContact NZ-OE1 3.49Å; K788-E815 PolarHBondContact NZ-OE1 3.45Å; K788-E815 IonicContact NZ-OE2 3.58Å; K788-E815 PolarHBondContact NZ-OE2 3.29Å |
| 789 | E | 92.2 | Very high | 88.4 | Confident | 36 Ų | 36 | 60.3 Ų | 60.3 | 17% | 0.168 | 31% | 0.309 | C | S | . | . | trans | -58.5 | 134.7 | 171.5 | -77.5 | 170.1 | 176.2 | 0 | 0 | 112.1 | R785 I786 F787 R805 Y807 | R785-E789 WeakPolarHBondContact CA-OE2 3.42Å; R785-E789 HydrophobicContact CB-CB 4.09Å; R785-E789 WeakPolarHBondContact CD-O 3.38Å; I786-E789 PolarHBondContact N-OE2 3.23Å; I786-E789 VanDerWaalsContact O-CB 3.23Å; I786-E789 WeakPolarHBondContact O-CB 3.36Å; I786-E789 WeakPolarHBondContact O-CG 3.26Å; I786-E789 PolarHBondContact O-N 3.06Å; F787-E789 PolarHBondContact O-N 3.38Å; E789-R805 IonicContact OE1-CZ 3.37Å; E789-R805 IonicContact OE1-NH1 2.74Å; E789-R805 PolarHBondContact OE1-NH1 2.87Å; E789-R805 IonicContact OE1-NH2 3.95Å; E789-R805 PolarHBondContact OE1-NH2 3.43Å; E789-R805 IonicContact OE2-CZ 3.56Å; E789-R805 IonicContact OE2-NH1 2.85Å; E789-R805 PolarHBondContact OE2-NH1 2.82Å; E789-R805 IonicContact OE2-NH2 3.96Å; E789-Y807 WeakPolarHBondContact OE1-CE2 3.44Å | ||
| 790 | S | 87.9 | Confident | 87.2 | Confident | 88 Ų | 88 | 60.9 Ų | 60.9 | 62% | 0.615 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -74.6 | -40.2 | 177.9 | 49.6 | 0 | 0 | 0 | 0 | 112.3 | K788 | K788-S790 PolarHBondContact O-N 3.13Š|
| 791 | E | 91.3 | Very high | 86.3 | Confident | 156 Ų | 156 | 67.3 Ų | 67.3 | 73% | 0.729 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -104.2 | 152.4 | -175.3 | -64.4 | -177.3 | 179.6 | 0 | 0 | 111.5 | ||
| 792 | L | 92.2 | Very high | 85.6 | Confident | 70 Ų | 70 | 70.6 Ų | 70.6 | 37% | 0.366 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -82.7 | 133.8 | 171.8 | -69.9 | 168 | 0 | 0 | 0 | 109.8 | A614 Y783 R785 A794 M828 | A614-L792 HydrophobicContact CB-CD1 4.33Å; A614-L792 HydrophobicContact CB-CD2 4.32Å; Y783-L792 HydrophobicContact CD1-CB 4.07Å; Y783-L792 HydrophobicContact CD1-CD1 4.46Å; R785-L792 HydrophobicContact CB-CD2 4.04Å; R785-L792 HydrophobicContact CG-CD2 3.91Å; L792-A794 PolarHBondContact O-N 2.97Å; L792-M828 HydrophobicContact CD1-CE 4.08Å; L792-M828 HydrophobicContact CD2-CE 3.69Å |
| 793 | T | 93.5 | Very high | 85.3 | Confident | 30 Ų | 30 | 73.4 Ų | 73.4 | 18% | 0.184 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 120.7 | 164.3 | -56.5 | 0 | 0 | 0 | 0 | 108.5 | Y783 Y784 V795 R805 | Y783-T793 VanDerWaalsContact CA-O 3.3Å; Y783-T793 WeakPolarHBondContact CA-O 3.34Å; Y784-T793 HydrophobicContact CD1-CG2 4.48Å; Y784-T793 HydrophobicContact CE1-CG2 3.74Å; Y784-T793 HydrophobicContact CE2-CG2 4.32Å; Y784-T793 PolarHBondContact N-O 2.92Å; Y784-T793 WeakPolarHBondContact O-CA 3.45Å; Y784-T793 WeakPolarHBondContact O-CB 3.35Å; Y784-T793 PolarHBondContact O-N 2.8Å; T793-V795 HydrophobicContact CG2-CG2 4.14Å; T793-R805 PolarHBondContact OG1-NH1 2.91Å |
| 794 | A | 92.7 | Very high | 85.2 | Confident | 59 Ų | 59 | 74.3 Ų | 74.3 | 49% | 0.488 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 126.3 | 176 | 0 | 0 | 0 | 0 | 0 | 110.6 | T781 Y783 L792 | T781-A794 HydrophobicContact CG2-CB 4.12Å; Y783-A794 HydrophobicContact CD1-CB 3.72Å; Y783-A794 HydrophobicContact CE1-CB 3.4Å; L792-A794 PolarHBondContact O-N 2.97Å |
| 795 | V | 91.5 | Very high | 85.2 | Confident | 8 Ų | 8 | 77 Ų | 77 | 5% | 0.048 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 115 | -179.9 | -178.2 | 0 | 0 | 0 | 0 | 109.8 | L765 T781 V782 Y784 T793 I797 H803 | L765-V795 HydrophobicContact CD1-CB 4.07Å; L765-V795 HydrophobicContact CD1-CG1 4.08Å; L765-V795 HydrophobicContact CD1-CG2 4.06Å; T781-V795 CarbonylContact C-O 3.57Å; T781-V795 WeakPolarHBondContact CA-O 3.46Å; V782-V795 PolarHBondContact N-O 3.31Å; V782-V795 PolarHBondContact O-N 2.71Å; Y784-V795 HydrophobicContact CE1-CG2 3.74Å; T793-V795 HydrophobicContact CG2-CG2 4.14Å; V795-I797 PolarHBondContact O-N 2.82Å; V795-H803 HydrophobicContact CG1-CB 3.42Å; V795-H803 VanDerWaalsContact CG1-CB 3.42Å; V795-H803 VanDerWaalsContact CG1-CG 3.45Å; V795-H803 WeakPolarHBondContact CG2-NE2 3.44Å |
| 796 | K | 88.1 | Confident | 85.2 | Confident | 167 Ų | 167 | 78.7 Ų | 78.7 | 73% | 0.726 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 115.2 | 172 | -64 | -177.2 | -179 | -179.4 | 0 | 109 | Y780 E798 | Y780-K796 WeakPolarHBondContact O-CA 3.19Å; K796-E798 PolarHBondContact O-N 2.79Å |
| 797 | I | 80.8 | Confident | 85.2 | Confident | 29 Ų | 29 | 80.1 Ų | 80.1 | 15% | 0.149 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 109.6 | 175.8 | -62.9 | -172 | 0 | 0 | 0 | 107.9 | I716 L768 Y780 V782 V795 | I716-I797 HydrophobicContact CD1-CD1 4.09Å; L768-I797 HydrophobicContact CB-CD1 3.95Å; L768-I797 HydrophobicContact CB-CG2 4.29Å; L768-I797 HydrophobicContact CD1-CD1 3.91Å; Y780-I797 PolarHBondContact O-N 3.39Å; V782-I797 HydrophobicContact CB-CD1 4.39Å; V782-I797 HydrophobicContact CG2-CD1 3.37Å; V782-I797 HydrophobicContact CG2-CG1 3.98Å; V795-I797 PolarHBondContact O-N 2.82Å |
| 798 | E | 71.6 | Confident | 85.2 | Confident | 108 Ų | 108 | 82 Ų | 82 | 51% | 0.505 | 44% | 0.439 | S | S | . | . | trans | -98.9 | 145.4 | 168.5 | -65.8 | -179.8 | 167.7 | 0 | 0 | 109 | K796 N800 K801 | K796-E798 PolarHBondContact O-N 2.79Å; E798-N800 PolarHBondContact O-N 2.72Å; E798-K801 PolarHBondContact O-N 2.74Å; E798-K801 IonicContact OE2-NZ 2.69Å; E798-K801 PolarHBondContact OE2-NZ 2.92Å | ||
| 799 | S | 60 | Low | 85.4 | Confident | 113 Ų | 113 | 77.3 Ų | 77.3 | 79% | 0.79 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 117.9 | 174.9 | 40.1 | 0 | 0 | 0 | 0 | 109.9 | ||
| 800 | N | 59.2 | Low | 85.3 | Confident | 169 Ų | 169 | 82.3 Ų | 82.3 | 90% | 0.904 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.6 | 11.9 | 176.3 | -48.3 | -32.3 | 0 | 0 | 0 | 119 | E798 | E798-N800 PolarHBondContact O-N 2.72Š|
| 801 | K | 67.4 | Low | 85.5 | Confident | 146 Ų | 146 | 84.3 Ų | 84.3 | 64% | 0.635 | 45% | 0.446 | S | S | * | . | trans | -117 | 118.7 | 171.5 | -68.4 | 178.9 | -171.1 | 157.8 | 0 | 111.8 | E798 | E798-K801 PolarHBondContact O-N 2.74Å; E798-K801 IonicContact OE2-NZ 2.69Å; E798-K801 PolarHBondContact OE2-NZ 2.92Å | ||
| 802 | S | 77.7 | Confident | 85.6 | Confident | 82 Ų | 82 | 77 Ų | 77 | 57% | 0.573 | 41% | 0.412 | S | S | * | . | trans | -78.4 | 127.2 | 169.9 | 59.6 | 0 | 0 | 0 | 0 | 110.4 | L765 | L765-S802 VanDerWaalsContact O-CA 3.27Å; L765-S802 WeakPolarHBondContact O-CA 3.5Å | ||
| 803 | H | 87.3 | Confident | 85.8 | Confident | 59 Ų | 59 | 76.4 Ų | 76.4 | 27% | 0.273 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 137 | 170.2 | 174.3 | 76.9 | 0 | 0 | 0 | 109.8 | I764 L765 Y784 V795 | I764-H803 CarbonylContact C-O 3.53Å; I764-H803 VanDerWaalsContact CA-O 3.26Å; I764-H803 WeakPolarHBondContact CA-O 3.43Å; L765-H803 HydrophobicContact CB-CB 4.19Å; L765-H803 PolarHBondContact N-O 3.15Å; L765-H803 PolarHBondContact O-N 3.4Å; L765-H803 VanDerWaalsContact O-N 3.13Å; Y784-H803 PolarHBondContact OH-NE2 2.94Å; V795-H803 HydrophobicContact CG1-CB 3.42Å; V795-H803 VanDerWaalsContact CG1-CB 3.42Å; V795-H803 VanDerWaalsContact CG1-CG 3.45Å; V795-H803 WeakPolarHBondContact CG2-NE2 3.44Å |
| 804 | T | 92 | Very high | 85.8 | Confident | 76 Ų | 76 | 81 Ų | 81 | 47% | 0.466 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 124.6 | 174.6 | -62.1 | 0 | 0 | 0 | 0 | 110 | K762 I763 I764 | K762-T804 HydrophobicContact CB-CG2 4.48Å; K762-T804 HydrophobicContact CD-CG2 4.49Å; I763-T804 CarbonylContact O-C 3.58Å; I763-T804 WeakPolarHBondContact O-CA 3.47Å; I764-T804 HydrophobicContact CG1-CG2 4.17Å |
| 805 | R | 93.6 | Very high | 85.9 | Confident | 57 Ų | 57 | 81.6 Ų | 81.6 | 22% | 0.215 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 129.9 | 173 | -177.1 | 178.6 | -178 | -146.5 | -15 | 109.6 | K762 I763 Y784 I786 E789 T793 | K762-R805 CarbonylContact C-O 3.58Å; K762-R805 WeakPolarHBondContact CA-O 3.29Å; I763-R805 HydrophobicContact CB-CB 4.49Å; I763-R805 PolarHBondContact N-O 2.82Å; I763-R805 PolarHBondContact O-N 2.9Å; Y784-R805 WeakPolarHBondContact OH-CB 3.35Å; Y784-R805 WeakPolarHBondContact OH-CD 3.46Å; I786-R805 VanDerWaalsContact CD1-NH1 3.29Å; E789-R805 IonicContact OE1-CZ 3.37Å; E789-R805 IonicContact OE1-NH1 2.74Å; E789-R805 PolarHBondContact OE1-NH1 2.87Å; E789-R805 IonicContact OE1-NH2 3.95Å; E789-R805 PolarHBondContact OE1-NH2 3.43Å; E789-R805 IonicContact OE2-CZ 3.56Å; E789-R805 IonicContact OE2-NH1 2.85Å; E789-R805 PolarHBondContact OE2-NH1 2.82Å; E789-R805 IonicContact OE2-NH2 3.96Å; T793-R805 PolarHBondContact OG1-NH1 2.91Å |
| 806 | L | 93.6 | Very high | 86.1 | Confident | 71 Ų | 71 | 82.4 Ų | 82.4 | 37% | 0.372 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 124.5 | 168.8 | -179.3 | 66.9 | 0 | 0 | 0 | 108.8 | K762 | K762-L806 HydrophobicContact CG-CD1 3.85Å |
| 807 | Y | 93.9 | Very high | 86.4 | Confident | 30 Ų | 30 | 75.2 Ų | 75.2 | 12% | 0.118 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 128.5 | 170.8 | -173.3 | -100.3 | 0 | 0 | 0 | 109.3 | S760 F761 I786 E789 I809 | S760-Y807 CarbonylContact C-O 3.59Å; S760-Y807 WeakPolarHBondContact CA-O 3.37Å; S760-Y807 WeakPolarHBondContact CB-O 3.34Å; F761-Y807 HydrophobicContact CD1-CD1 4.2Å; F761-Y807 AromaticContact CE1-CD1 3.4Å; F761-Y807 HydrophobicContact CE1-CD1 3.4Å; F761-Y807 HydrophobicContact CE1-CE1 4.18Å; F761-Y807 HydrophobicContact CE1-CG 4.18Å; F761-Y807 AromaticContact CZ-CD1 3.73Å; F761-Y807 HydrophobicContact CZ-CD1 3.73Å; F761-Y807 HydrophobicContact CZ-CG 4.18Å; F761-Y807 PolarHBondContact N-O 2.77Å; F761-Y807 PolarHBondContact O-N 3.48Å; I786-Y807 HydrophobicContact CB-CD2 4.14Å; I786-Y807 HydrophobicContact CB-CE2 3.91Å; I786-Y807 HydrophobicContact CD1-CD2 3.43Å; I786-Y807 VanDerWaalsContact CD1-CD2 3.43Å; I786-Y807 HydrophobicContact CD1-CE2 4.08Å; I786-Y807 HydrophobicContact CD1-CG 3.72Å; I786-Y807 HydrophobicContact CG1-CD2 4.43Å; I786-Y807 HydrophobicContact CG2-CD1 4.06Å; I786-Y807 HydrophobicContact CG2-CD2 4.11Å; I786-Y807 HydrophobicContact CG2-CE1 3.77Å; I786-Y807 HydrophobicContact CG2-CE2 3.85Å; I786-Y807 HydrophobicContact CG2-CG 4.2Å; E789-Y807 WeakPolarHBondContact OE1-CE2 3.44Å; Y807-I809 HydrophobicContact CD1-CD1 4.38Å; Y807-I809 HydrophobicContact CD1-CG1 4.03Å; Y807-I809 HydrophobicContact CE1-CD1 3.83Å; Y807-I809 HydrophobicContact CE1-CG1 3.47Å; Y807-I809 VanDerWaalsContact CE1-CG1 3.47Å |
| 808 | S | 93.1 | Very high | 87 | Confident | 60 Ų | 60 | 78.2 Ų | 78.2 | 42% | 0.42 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 131.4 | -175.3 | -68.7 | 0 | 0 | 0 | 0 | 110.5 | S760 | S760-S808 WeakPolarHBondContact OG-CA 3.24Å; S760-S808 WeakPolarHBondContact OG-CB 3.44Å; S760-S808 PolarHBondContact OG-OG 3.5Å |
| 809 | I | 93.1 | Very high | 88.1 | Confident | 9 Ų | 9 | 73.6 Ų | 73.6 | 5% | 0.046 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 121 | 176 | -55.5 | 167.4 | 0 | 0 | 0 | 106.6 | P758 Y759 Y807 Q811 I812 F820 | P758-I809 WeakPolarHBondContact CA-O 3.39Å; Y759-I809 PolarHBondContact N-O 2.95Å; Y759-I809 PolarHBondContact O-N 3.36Å; Y807-I809 HydrophobicContact CD1-CD1 4.38Å; Y807-I809 HydrophobicContact CD1-CG1 4.03Å; Y807-I809 HydrophobicContact CE1-CD1 3.83Å; Y807-I809 HydrophobicContact CE1-CG1 3.47Å; Y807-I809 VanDerWaalsContact CE1-CG1 3.47Å; I809-Q811 WeakPolarHBondContact CG2-O 3.33Å; I809-I812 HydrophobicContact CB-CD1 4.31Å; I809-I812 HydrophobicContact CD1-CD1 3.53Å; I809-I812 HydrophobicContact CG2-CD1 4.1Å; I809-I812 HydrophobicContact CG2-CG1 4.49Å; I809-F820 HydrophobicContact CD1-CE2 4.44Å; I809-F820 HydrophobicContact CD1-CZ 3.73Å |
| 810 | D | 90.5 | Very high | 89.7 | Confident | 142 Ų | 142 | 68.3 Ų | 68.3 | 76% | 0.759 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -64.9 | -43.6 | -178.2 | -66.5 | -30 | 0 | 0 | 0 | 111.9 | P758 | P758-D810 WeakPolarHBondContact CA-O 3.29Å; P758-D810 WeakPolarHBondContact CB-O 3.48Å |
| 811 | Q | 92.2 | Very high | 91.2 | Very high | 130 Ų | 130 | 63.8 Ų | 63.8 | 61% | 0.607 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -142.5 | 120.8 | 174 | -68.1 | -169.9 | -18.4 | 0 | 0 | 110.7 | I809 T813 | I809-Q811 WeakPolarHBondContact CG2-O 3.33Å; Q811-T813 PolarHBondContact O-N 3.02Å |
| 812 | I | 93.9 | Very high | 92.2 | Very high | 3 Ų | 3 | 60.1 Ų | 60.1 | 2% | 0.015 | 32% | 0.319 | C | S | . | . | B | Isolated β-bridge | trans | -64.5 | 131.4 | 171.2 | -68.7 | -73.8 | 0 | 0 | 0 | 109.5 | L754 I755 G756 K757 Y759 I809 H816 L817 F820 | L754-I812 HydrophobicContact CB-CB 4.33Å; L754-I812 HydrophobicContact CB-CG1 4.33Å; L754-I812 HydrophobicContact CB-CG2 3.97Å; L754-I812 WeakPolarHBondContact O-CB 3.3Å; I755-I812 WeakPolarHBondContact CA-O 3.26Å; G756-I812 PolarHBondContact N-O 2.82Å; K757-I812 PolarHBondContact O-N 2.88Å; Y759-I812 VanDerWaalsContact CB-CG1 3.47Å; Y759-I812 HydrophobicContact CD1-CD1 4.41Å; Y759-I812 HydrophobicContact CG-CD1 4.04Å; Y759-I812 HydrophobicContact CG-CG1 4.17Å; I809-I812 HydrophobicContact CB-CD1 4.31Å; I809-I812 HydrophobicContact CD1-CD1 3.53Å; I809-I812 HydrophobicContact CG2-CD1 4.1Å; I809-I812 HydrophobicContact CG2-CG1 4.49Å; I812-H816 HydrophobicContact CD1-CB 3.97Å; I812-H816 HydrophobicContact CG2-CB 4.31Å; I812-L817 HydrophobicContact CG2-CD2 3.82Å; I812-L817 HydrophobicContact CG2-CG 3.82Å; I812-F820 HydrophobicContact CD1-CE2 3.76Å; I812-F820 HydrophobicContact CD1-CZ 4.26Å |
| 813 | T | 95.4 | Very high | 92.8 | Very high | 57 Ų | 57 | 58 Ų | 58 | 35% | 0.35 | 30% | 0.3 | S | S | . | . | trans | -111.8 | 171.5 | 173.9 | 68.2 | 0 | 0 | 0 | 0 | 109.6 | Q811 E815 H816 L817 | Q811-T813 PolarHBondContact O-N 3.02Å; T813-E815 PolarHBondContact O-N 3.05Å; T813-E815 PolarHBondContact OG1-N 2.81Å; T813-H816 PolarHBondContact N-ND1 2.89Å; T813-H816 VanDerWaalsContact N-ND1 3.12Å; T813-H816 WeakPolarHBondContact O-CB 3.45Å; T813-H816 PolarHBondContact O-N 3.02Å; T813-H816 VanDerWaalsContact O-N 3.17Å; T813-H816 PolarHBondContact OG1-N 3.41Å; T813-H816 PolarHBondContact OG1-ND1 2.81Å; T813-L817 PolarHBondContact O-N 2.81Å | ||
| 814 | H | 94.4 | Very high | 93 | Very high | 126 Ų | 126 | 56.8 Ų | 56.8 | 58% | 0.583 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -56.2 | -40.5 | 172.2 | -67.3 | 86 | 0 | 0 | 0 | 111.7 | I755 H816 L817 D818 | I755-H814 WeakPolarHBondContact CD1-NE2 3.29Å; H814-H816 VanDerWaalsContact C-N 3.32Å; H814-H816 PolarHBondContact O-N 3.32Å; H814-L817 WeakPolarHBondContact O-CB 2.98Å; H814-L817 PolarHBondContact O-N 3.3Å; H814-D818 VanDerWaalsContact O-CG 3.3Å; H814-D818 PolarHBondContact O-N 2.79Å |
| 815 | E | 94.7 | Very high | 93 | Very high | 71 Ų | 71 | 53.2 Ų | 53.2 | 33% | 0.332 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.2 | -35.8 | 178.2 | -167.3 | -177.5 | -155.3 | 0 | 0 | 112.9 | Y617 F787 K788 T813 D818 Y819 | Y617-E815 HydrophobicContact CE1-CG 3.76Å; F787-E815 HydrophobicContact CE2-CG 3.99Å; F787-E815 HydrophobicContact CZ-CB 4.31Å; F787-E815 HydrophobicContact CZ-CG 3.82Å; K788-E815 WeakPolarHBondContact CE-OE1 3.19Å; K788-E815 IonicContact NZ-OE1 3.49Å; K788-E815 PolarHBondContact NZ-OE1 3.45Å; K788-E815 IonicContact NZ-OE2 3.58Å; K788-E815 PolarHBondContact NZ-OE2 3.29Å; T813-E815 PolarHBondContact O-N 3.05Å; T813-E815 PolarHBondContact OG1-N 2.81Å; E815-D818 PolarHBondContact O-N 2.84Å; E815-Y819 WeakPolarHBondContact O-CB 3.5Å; E815-Y819 PolarHBondContact O-N 3.09Å |
| 816 | H | 95.5 | Very high | 92.9 | Very high | 25 Ų | 25 | 51.5 Ų | 51.5 | 12% | 0.116 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.5 | -38.6 | 173.1 | -66.7 | 105.1 | 0 | 0 | 0 | 111.7 | F787 I812 T813 H814 Y819 F820 | F787-H816 AromaticContact CD1-CD2 3.52Å; F787-H816 AromaticContact CD1-NE2 3.56Å; F787-H816 AromaticContact CE1-CD2 3.3Å; F787-H816 WeakPolarHBondContact CE1-CD2 3.29Å; F787-H816 AromaticContact CE1-CE1 3.92Å; F787-H816 AromaticContact CE1-NE2 3.19Å; F787-H816 WeakPolarHBondContact CE1-NE2 2.99Å; F787-H816 AromaticContact CZ-CD2 3.75Å; F787-H816 AromaticContact CZ-NE2 3.98Å; I812-H816 HydrophobicContact CD1-CB 3.97Å; I812-H816 HydrophobicContact CG2-CB 4.31Å; T813-H816 PolarHBondContact N-ND1 2.89Å; T813-H816 VanDerWaalsContact N-ND1 3.12Å; T813-H816 WeakPolarHBondContact O-CB 3.45Å; T813-H816 PolarHBondContact O-N 3.02Å; T813-H816 VanDerWaalsContact O-N 3.17Å; T813-H816 PolarHBondContact OG1-N 3.41Å; T813-H816 PolarHBondContact OG1-ND1 2.81Å; H814-H816 VanDerWaalsContact C-N 3.32Å; H814-H816 PolarHBondContact O-N 3.32Å; H816-Y819 WeakPolarHBondContact O-CB 3.47Å; H816-Y819 PolarHBondContact O-N 3.38Å; H816-F820 WeakPolarHBondContact O-CG 3.34Å; H816-F820 PolarHBondContact O-N 3.49Å |
| 817 | L | 94.3 | Very high | 92.9 | Very high | 17 Ų | 17 | 48.1 Ų | 48.1 | 9% | 0.089 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.4 | -40.7 | 175.6 | -68.2 | -176 | 0 | 0 | 0 | 111.6 | P751 L754 I755 I812 T813 H814 Y819 F820 H821 | P751-L817 HydrophobicContact CB-CD2 4.14Å; L754-L817 HydrophobicContact CB-CD2 4.33Å; L754-L817 HydrophobicContact CD1-CD2 4.22Å; I755-L817 HydrophobicContact CD1-CD1 3.89Å; I755-L817 HydrophobicContact CG1-CD1 3.59Å; I812-L817 HydrophobicContact CG2-CD2 3.82Å; I812-L817 HydrophobicContact CG2-CG 3.82Å; T813-L817 PolarHBondContact O-N 2.81Å; H814-L817 WeakPolarHBondContact O-CB 2.98Å; H814-L817 PolarHBondContact O-N 3.3Å; L817-Y819 VanDerWaalsContact C-N 3.32Å; L817-Y819 PolarHBondContact O-N 3.37Å; L817-F820 HydrophobicContact CD2-CD2 4.42Å; L817-F820 PolarHBondContact O-N 3.15Å; L817-H821 WeakPolarHBondContact O-CB 3.46Å; L817-H821 PolarHBondContact O-N 2.87Å |
| 818 | D | 93.8 | Very high | 92.9 | Very high | 91 Ų | 91 | 46.8 Ų | 46.8 | 49% | 0.487 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.2 | -43.5 | 174.7 | -65.9 | -24.5 | 0 | 0 | 0 | 110.6 | H814 E815 H821 S822 | H814-D818 VanDerWaalsContact O-CG 3.3Å; H814-D818 PolarHBondContact O-N 2.79Å; E815-D818 PolarHBondContact O-N 2.84Å; D818-H821 PolarHBondContact O-N 2.95Å; D818-S822 WeakPolarHBondContact O-CB 3.47Å; D818-S822 PolarHBondContact O-N 3.38Å |
| 819 | Y | 94.5 | Very high | 92.8 | Very high | 12 Ų | 12 | 44 Ų | 44 | 5% | 0.047 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.6 | -47.8 | 172.5 | 176.5 | -112 | 0 | 0 | 0 | 112.4 | Y617 L690 I786 F787 E815 H816 L817 H821 E823 | Y617-Y819 AromaticContact CD2-CD2 3.47Å; Y617-Y819 HydrophobicContact CD2-CD2 3.47Å; Y617-Y819 VanDerWaalsContact CD2-CD2 3.47Å; Y617-Y819 HydrophobicContact CD2-CE2 4.16Å; Y617-Y819 HydrophobicContact CD2-CG 4.41Å; Y617-Y819 AromaticContact CE2-CD2 3.87Å; Y617-Y819 HydrophobicContact CE2-CD2 3.87Å; Y617-Y819 HydrophobicContact CE2-CG 4.5Å; Y617-Y819 HydrophobicContact CG-CD2 4.02Å; L690-Y819 HydrophobicContact CD1-CD1 3.85Å; L690-Y819 HydrophobicContact CD1-CE1 3.22Å; L690-Y819 HydrophobicContact CD1-CE2 4.15Å; I786-Y819 HydrophobicContact CG2-CE1 4.13Å; F787-Y819 HydrophobicContact CB-CD1 3.87Å; F787-Y819 HydrophobicContact CB-CE1 3.69Å; F787-Y819 HydrophobicContact CB-CG 4.35Å; F787-Y819 AromaticContact CD2-CD1 3.71Å; F787-Y819 HydrophobicContact CD2-CD1 3.71Å; F787-Y819 AromaticContact CD2-CD2 3.85Å; F787-Y819 HydrophobicContact CD2-CD2 3.85Å; F787-Y819 HydrophobicContact CD2-CE1 4.31Å; F787-Y819 HydrophobicContact CD2-CE2 4.46Å; F787-Y819 AromaticContact CD2-CG 3.44Å; F787-Y819 HydrophobicContact CD2-CG 3.44Å; F787-Y819 VanDerWaalsContact CD2-CG 3.44Å; F787-Y819 HydrophobicContact CE2-CG 4.15Å; F787-Y819 HydrophobicContact CG-CD1 4.15Å; F787-Y819 HydrophobicContact CG-CE1 4.45Å; F787-Y819 HydrophobicContact CG-CG 4.31Å; F787-Y819 PolarHBondContact N-OH 3.06Å; E815-Y819 WeakPolarHBondContact O-CB 3.5Å; E815-Y819 PolarHBondContact O-N 3.09Å; H816-Y819 WeakPolarHBondContact O-CB 3.47Å; H816-Y819 PolarHBondContact O-N 3.38Å; L817-Y819 VanDerWaalsContact C-N 3.32Å; L817-Y819 PolarHBondContact O-N 3.37Å; Y819-H821 VanDerWaalsContact C-N 3.3Å; Y819-H821 PolarHBondContact O-N 3.12Å; Y819-E823 HydrophobicContact CD2-CB 3.62Å; Y819-E823 HydrophobicContact CD2-CG 3.74Å; Y819-E823 HydrophobicContact CE2-CB 3.71Å; Y819-E823 HydrophobicContact CE2-CG 4.17Å; Y819-E823 HydrophobicContact CG-CB 4.49Å; Y819-E823 VanDerWaalsContact O-CB 3.3Å; Y819-E823 WeakPolarHBondContact O-CB 3.41Å; Y819-E823 PolarHBondContact O-N 3.21Å |
| 820 | F | 94.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 0% | 0.004 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63 | -37.3 | 176.7 | -67 | -25.4 | 0 | 0 | 0 | 112.4 | L690 R691 A694 Y759 F761 I809 I812 H816 L817 | L690-F820 CarbonylContact C-O 3.49Å; L690-F820 HydrophobicContact CB-CB 4.49Å; L690-F820 HydrophobicContact CB-CD1 4.18Å; L690-F820 HydrophobicContact CD1-CD1 4.34Å; R691-F820 WeakPolarHBondContact CA-O 3.22Å; R691-F820 PolarHBondContact N-O 3.26Å; A694-F820 HydrophobicContact CB-CB 3.99Å; Y759-F820 HydrophobicContact CD1-CE2 4.2Å; Y759-F820 HydrophobicContact CD1-CZ 4.13Å; Y759-F820 HydrophobicContact CE1-CE2 4.18Å; Y759-F820 HydrophobicContact CE1-CZ 4.16Å; F761-F820 HydrophobicContact CE1-CE1 4.07Å; F761-F820 HydrophobicContact CE1-CZ 4.15Å; I809-F820 HydrophobicContact CD1-CE2 4.44Å; I809-F820 HydrophobicContact CD1-CZ 3.73Å; I812-F820 HydrophobicContact CD1-CE2 3.76Å; I812-F820 HydrophobicContact CD1-CZ 4.26Å; H816-F820 WeakPolarHBondContact O-CG 3.34Å; H816-F820 PolarHBondContact O-N 3.49Å; L817-F820 HydrophobicContact CD2-CD2 4.42Å; L817-F820 PolarHBondContact O-N 3.15Å |
| 821 | H | 90.7 | Very high | 92.5 | Very high | 74 Ų | 74 | 39.8 Ų | 39.8 | 34% | 0.343 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -77.9 | -32 | -173.5 | -167.8 | 72.2 | 0 | 0 | 0 | 114.1 | R691 L817 D818 Y819 | R691-H821 VanDerWaalsContact CZ-CE1 3.46Å; R691-H821 PolarHBondContact NE-O 3.12Å; R691-H821 PolarHBondContact NH2-CE1 2.83Å; R691-H821 PolarHBondContact NH2-NE2 3.19Å; R691-H821 PolarHBondContact NH2-O 3.4Å; L817-H821 WeakPolarHBondContact O-CB 3.46Å; L817-H821 PolarHBondContact O-N 2.87Å; D818-H821 PolarHBondContact O-N 2.95Å; Y819-H821 VanDerWaalsContact C-N 3.3Å; Y819-H821 PolarHBondContact O-N 3.12Å |
| 822 | S | 86.8 | Confident | 92.1 | Very high | 70 Ų | 70 | 34.6 Ų | 34.6 | 49% | 0.49 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -118.8 | -8 | -167.6 | -62 | 0 | 0 | 0 | 0 | 114.9 | D818 | D818-S822 WeakPolarHBondContact O-CB 3.47Å; D818-S822 PolarHBondContact O-N 3.38Å |
| 823 | E | 90.8 | Very high | 91.4 | Very high | 37 Ų | 37 | 35.3 Ų | 35.3 | 17% | 0.173 | 18% | 0.181 | C | C | . | . | trans | -122.9 | 171.9 | -176.4 | -56.7 | -68.4 | 160 | 0 | 0 | 113 | Y617 K621 L690 Y819 | Y617-E823 HydrophobicContact CD2-CG 3.93Å; Y617-E823 HydrophobicContact CE2-CG 3.87Å; K621-E823 IonicContact NZ-OE1 3.88Å; K621-E823 PolarHBondContact NZ-OE1 2.68Å; K621-E823 IonicContact NZ-OE2 3.02Å; K621-E823 PolarHBondContact NZ-OE2 2.88Å; L690-E823 PolarHBondContact N-O 3.46Å; L690-E823 VanDerWaalsContact N-O 3.14Å; Y819-E823 HydrophobicContact CD2-CB 3.62Å; Y819-E823 HydrophobicContact CD2-CG 3.74Å; Y819-E823 HydrophobicContact CE2-CB 3.71Å; Y819-E823 HydrophobicContact CE2-CG 4.17Å; Y819-E823 HydrophobicContact CG-CB 4.49Å; Y819-E823 VanDerWaalsContact O-CB 3.3Å; Y819-E823 WeakPolarHBondContact O-CB 3.41Å; Y819-E823 PolarHBondContact O-N 3.21Å | ||
| 824 | F | 91.4 | Very high | 90.4 | Very high | 34 Ų | 34 | 37.7 Ų | 37.7 | 15% | 0.149 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 156.9 | 178.2 | 54.1 | -86.2 | 0 | 0 | 0 | 110 | T611 P687 A688 F689 C826 V860 | T611-F824 HydrophobicContact CG2-CE1 4.31Å; T611-F824 HydrophobicContact CG2-CE2 4.46Å; T611-F824 HydrophobicContact CG2-CZ 3.59Å; P687-F824 HydrophobicContact CB-CB 4.41Å; P687-F824 HydrophobicContact CB-CD2 3.5Å; P687-F824 HydrophobicContact CB-CE2 3.91Å; P687-F824 HydrophobicContact CB-CG 3.99Å; A688-F824 CarbonylContact O-C 3.04Å; A688-F824 WeakPolarHBondContact O-CA 3.2Å; A688-F824 VanDerWaalsContact O-CB 3.27Å; A688-F824 WeakPolarHBondContact O-CB 3.45Å; F689-F824 HydrophobicContact CD1-CB 3.87Å; F689-F824 HydrophobicContact CD1-CD1 4.26Å; F689-F824 HydrophobicContact CD1-CG 4.46Å; F689-F824 HydrophobicContact CE1-CB 4.17Å; F689-F824 AromaticContact CE1-CD1 3.84Å; F689-F824 HydrophobicContact CE1-CD1 3.84Å; F689-F824 HydrophobicContact CE1-CG 4.28Å; F689-F824 HydrophobicContact CG-CB 4.24Å; F824-C826 HydrophobicContact CD2-CB 3.96Å; F824-C826 HydrophobicContact CE2-CB 3.71Å; F824-V860 HydrophobicContact CD1-CG1 4.24Å; F824-V860 HydrophobicContact CE1-CG1 3.76Å; F824-V860 HydrophobicContact CZ-CG1 4.03Å |
| 825 | I | 92.9 | Very high | 89 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 118.9 | 160.4 | -68.1 | 162.5 | 0 | 0 | 0 | 107 | A688 L690 L720 F761 I763 Y784 I786 F827 | A688-I825 PolarHBondContact N-O 2.99Å; A688-I825 PolarHBondContact O-N 2.77Å; L690-I825 HydrophobicContact CD1-CG1 4.16Å; L690-I825 HydrophobicContact CD2-CB 4.43Å; L690-I825 HydrophobicContact CD2-CD1 3.65Å; L690-I825 HydrophobicContact CD2-CG1 3.75Å; L690-I825 HydrophobicContact CG-CG1 4.41Å; L720-I825 HydrophobicContact CD2-CD1 4.37Å; F761-I825 HydrophobicContact CE2-CD1 4.25Å; I763-I825 HydrophobicContact CD1-CD1 3.96Å; Y784-I825 HydrophobicContact CD2-CG2 4.02Å; Y784-I825 HydrophobicContact CG-CG2 4.27Å; I786-I825 HydrophobicContact CG1-CD1 4.07Å; I786-I825 HydrophobicContact CG1-CG1 4.4Å; I825-F827 HydrophobicContact CB-CE2 4.14Å; I825-F827 HydrophobicContact CB-CZ 4.22Å; I825-F827 HydrophobicContact CG2-CD1 4.33Å; I825-F827 HydrophobicContact CG2-CD2 4.22Å; I825-F827 HydrophobicContact CG2-CE1 3.79Å; I825-F827 HydrophobicContact CG2-CE2 3.71Å; I825-F827 HydrophobicContact CG2-CZ 3.48Å; I825-F827 VanDerWaalsContact CG2-CZ 3.48Å |
| 826 | C | 91.8 | Very high | 87.4 | Confident | 20 Ų | 20 | 42.4 Ų | 42.4 | 14% | 0.135 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 113.9 | 174.6 | -162.8 | 0 | 0 | 0 | 0 | 109.8 | T611 Y784 F824 | T611-C826 PolarHBondContact O-SG 3.29Å; Y784-C826 WeakPolarHBondContact CB-O 3.34Å; F824-C826 HydrophobicContact CD2-CB 3.96Å; F824-C826 HydrophobicContact CE2-CB 3.71Å |
| 827 | F | 93.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 115.7 | 170.6 | -62.5 | -78.1 | 0 | 0 | 0 | 108.6 | I685 A686 A688 I718 I763 L765 V782 Y784 I825 I829 | I685-F827 CarbonylContact C-O 3.46Å; I685-F827 WeakPolarHBondContact CA-O 3.45Å; A686-F827 HydrophobicContact CB-CB 4.37Å; A686-F827 PolarHBondContact N-O 2.95Å; A686-F827 WeakPolarHBondContact O-CD2 3.2Å; A686-F827 PolarHBondContact O-N 2.81Å; A688-F827 HydrophobicContact CB-CD2 4.17Å; A688-F827 HydrophobicContact CB-CE2 3.63Å; I718-F827 HydrophobicContact CD1-CB 4.43Å; I718-F827 HydrophobicContact CD1-CD2 3.23Å; I718-F827 HydrophobicContact CD1-CE2 3.49Å; I718-F827 VanDerWaalsContact CD1-CE2 3.49Å; I718-F827 HydrophobicContact CD1-CG 3.84Å; I718-F827 HydrophobicContact CD1-CZ 4.29Å; I718-F827 HydrophobicContact CG1-CD2 4.21Å; I718-F827 HydrophobicContact CG1-CE2 4.08Å; I718-F827 HydrophobicContact CG1-CZ 4.47Å; I718-F827 HydrophobicContact CG2-CE2 3.84Å; I718-F827 HydrophobicContact CG2-CZ 4.04Å; I763-F827 HydrophobicContact CG2-CE1 4.12Å; I763-F827 HydrophobicContact CG2-CZ 3.91Å; L765-F827 HydrophobicContact CD2-CD1 3.77Å; L765-F827 HydrophobicContact CD2-CE1 3.5Å; L765-F827 HydrophobicContact CD2-CG 4.5Å; L765-F827 HydrophobicContact CD2-CZ 3.99Å; L765-F827 HydrophobicContact CG-CE1 4.5Å; V782-F827 HydrophobicContact CG1-CB 3.91Å; V782-F827 HydrophobicContact CG1-CD1 3.9Å; V782-F827 HydrophobicContact CG1-CG 4.39Å; Y784-F827 AromaticContact CD1-CD1 3.79Å; Y784-F827 HydrophobicContact CD1-CD1 3.79Å; Y784-F827 AromaticContact CD1-CE1 3.72Å; Y784-F827 HydrophobicContact CD1-CE1 3.72Å; Y784-F827 HydrophobicContact CD2-CE1 4.02Å; Y784-F827 HydrophobicContact CE1-CE1 4.2Å; Y784-F827 HydrophobicContact CE2-CE1 4.5Å; Y784-F827 AromaticContact CG-CD1 3.81Å; Y784-F827 HydrophobicContact CG-CD1 3.81Å; Y784-F827 AromaticContact CG-CE1 3.6Å; Y784-F827 HydrophobicContact CG-CE1 3.6Å; I825-F827 HydrophobicContact CB-CE2 4.14Å; I825-F827 HydrophobicContact CB-CZ 4.22Å; I825-F827 HydrophobicContact CG2-CD1 4.33Å; I825-F827 HydrophobicContact CG2-CD2 4.22Å; I825-F827 HydrophobicContact CG2-CE1 3.79Å; I825-F827 HydrophobicContact CG2-CE2 3.71Å; I825-F827 HydrophobicContact CG2-CZ 3.48Å; I825-F827 VanDerWaalsContact CG2-CZ 3.48Å; F827-I829 WeakPolarHBondContact O-CD1 3.14Å |
| 828 | M | 92.5 | Very high | 83.8 | Confident | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.015 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 121.8 | -179 | -57.8 | 172.1 | -73.7 | 0 | 0 | 109.2 | A614 F682 I685 V782 Y783 L792 Y830 | A614-M828 HydrophobicContact CB-CE 3.47Å; A614-M828 VanDerWaalsContact CB-CE 3.47Å; A614-M828 HydrophobicContact CB-SD 3.51Å; A614-M828 VanDerWaalsContact CB-SD 3.51Å; F682-M828 HydrophobicContact CE2-CB 4.29Å; I685-M828 HydrophobicContact CG2-CG 4.11Å; V782-M828 CarbonylContact C-O 3.55Å; V782-M828 WeakPolarHBondContact CA-O 3.31Å; Y783-M828 PolarHBondContact N-O 3.48Å; Y783-M828 PolarHBondContact O-N 2.78Å; L792-M828 HydrophobicContact CD1-CE 4.08Å; L792-M828 HydrophobicContact CD2-CE 3.69Å; M828-Y830 HydrophobicContact CB-CD2 4.26Å; M828-Y830 HydrophobicContact CB-CE2 3.81Å |
| 829 | I | 91.9 | Very high | 81.8 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 124.2 | -175.2 | -62.2 | 75.4 | 0 | 0 | 0 | 108 | I683 G684 A686 I705 L768 Y780 V782 F827 | I683-I829 HydrophobicContact CB-CB 4.31Å; I683-I829 HydrophobicContact CB-CG2 4.03Å; I683-I829 WeakPolarHBondContact CB-O 3.39Å; I683-I829 HydrophobicContact CG1-CG2 4.33Å; I683-I829 HydrophobicContact CG2-CG2 4.42Å; I683-I829 PolarHBondContact N-O 3.22Å; G684-I829 PolarHBondContact N-O 3.31Å; G684-I829 PolarHBondContact O-N 3.41Å; A686-I829 HydrophobicContact CB-CD1 4.33Å; I705-I829 HydrophobicContact CD1-CD1 4.43Å; I705-I829 HydrophobicContact CD1-CG1 4.23Å; I705-I829 HydrophobicContact CG1-CD1 4.11Å; I705-I829 HydrophobicContact CG1-CG1 4.44Å; I705-I829 HydrophobicContact CG2-CD1 4.06Å; I705-I829 HydrophobicContact CG2-CG1 4.38Å; L768-I829 HydrophobicContact CD1-CG1 3.93Å; L768-I829 HydrophobicContact CD1-CG2 3.84Å; Y780-I829 HydrophobicContact CD1-CG2 3.77Å; Y780-I829 HydrophobicContact CE1-CG2 4.44Å; V782-I829 HydrophobicContact CG2-CG1 4.32Å; F827-I829 WeakPolarHBondContact O-CD1 3.14Å |
| 830 | Y | 89.8 | Confident | 79.6 | Confident | 63 Ų | 63 | 57 Ų | 57 | 25% | 0.247 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 145.9 | 174.9 | -76.6 | -103.5 | 0 | 0 | 0 | 110.7 | D680 L681 F682 Y780 T781 Y783 M828 | D680-Y830 HydrophobicContact CB-CD1 4.12Å; D680-Y830 WeakPolarHBondContact O-CD1 3.41Å; L681-Y830 CarbonylContact O-C 3.53Å; L681-Y830 WeakPolarHBondContact O-CA 3.49Å; F682-Y830 HydrophobicContact CB-CD1 4.18Å; F682-Y830 HydrophobicContact CB-CE1 3.72Å; F682-Y830 HydrophobicContact CD2-CD2 4.37Å; F682-Y830 HydrophobicContact CD2-CE1 4.23Å; F682-Y830 AromaticContact CD2-CE2 3.77Å; F682-Y830 HydrophobicContact CD2-CE2 3.77Å; F682-Y830 AromaticContact CD2-CZ 3.68Å; F682-Y830 HydrophobicContact CG-CE1 4.49Å; Y780-Y830 CarbonylContact C-O 3.38Å; Y780-Y830 VanDerWaalsContact CA-O 3.27Å; Y780-Y830 WeakPolarHBondContact CA-O 3.49Å; T781-Y830 PolarHBondContact N-O 2.9Å; T781-Y830 PolarHBondContact O-N 2.78Å; Y783-Y830 AromaticContact CD2-CD2 3.45Å; Y783-Y830 HydrophobicContact CD2-CD2 3.45Å; Y783-Y830 VanDerWaalsContact CD2-CD2 3.45Å; Y783-Y830 AromaticContact CD2-CE2 3.96Å; Y783-Y830 HydrophobicContact CD2-CE2 3.96Å; Y783-Y830 HydrophobicContact CD2-CG 4.02Å; Y783-Y830 AromaticContact CE2-CD2 3.9Å; Y783-Y830 HydrophobicContact CE2-CD2 3.9Å; Y783-Y830 AromaticContact CE2-CG 3.98Å; Y783-Y830 HydrophobicContact CE2-CG 3.98Å; M828-Y830 HydrophobicContact CB-CD2 4.26Å; M828-Y830 HydrophobicContact CB-CE2 3.81Å |
| 831 | C | 86.6 | Confident | 77.3 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.007 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 131.7 | -179.8 | 179.9 | 0 | 0 | 0 | 0 | 110.6 | D680 L681 I683 R778 Y780 Q833 | D680-C831 CarbonylContact C-O 3.53Å; D680-C831 WeakPolarHBondContact CA-O 3.32Å; L681-C831 PolarHBondContact N-O 2.86Å; L681-C831 PolarHBondContact O-N 2.95Å; I683-C831 HydrophobicContact CD1-CB 3.72Å; I683-C831 HydrophobicContact CG1-CB 3.68Å; R778-C831 WeakPolarHBondContact CD-SG 3.27Å; Y780-C831 HydrophobicContact CD1-CB 4Å; Y780-C831 HydrophobicContact CE1-CB 3.7Å; C831-Q833 PolarHBondContact O-N 2.84Å |
| 832 | S | 83.5 | Confident | 75.2 | Confident | 20 Ų | 20 | 54.8 Ų | 54.8 | 14% | 0.14 | 28% | 0.276 | C | S | . | . | trans | -63.9 | 134.9 | 172.7 | 60.9 | 0 | 0 | 0 | 0 | 111.3 | D680 K779 F834 | D680-S832 WeakPolarHBondContact OD1-CA 3.49Å; K779-S832 PolarHBondContact O-N 2.86Å; K779-S832 PolarHBondContact O-OG 2.91Å; S832-F834 WeakPolarHBondContact OG-CE2 3.19Å; S832-F834 WeakPolarHBondContact OG-CZ 3.43Å | ||
| 833 | Q | 80.3 | Confident | 73.1 | Confident | 18 Ų | 18 | 57.5 Ų | 57.5 | 8% | 0.084 | 28% | 0.284 | C | S | . | . | trans | -100.1 | 147 | 175.6 | -59.2 | -171 | 79.1 | 0 | 0 | 111.1 | M637 L678 E679 L681 C831 F842 | M637-Q833 VanDerWaalsContact N-OE1 3.07Å; M637-Q833 PolarHBondContact O-NE2 3.4Å; M637-Q833 PolarHBondContact O-OE1 2.85Å; L678-Q833 HydrophobicContact CB-CB 4.46Å; L678-Q833 HydrophobicContact CD2-CB 4.42Å; E679-Q833 PolarHBondContact O-NE2 2.79Å; L681-Q833 HydrophobicContact CB-CG 3.84Å; C831-Q833 PolarHBondContact O-N 2.84Å; Q833-F842 HydrophobicContact CG-CZ 4.12Å | ||
| 834 | F | 73.7 | Confident | 70.9 | Confident | 108 Ų | 108 | 57 Ų | 57 | 47% | 0.474 | 28% | 0.284 | S | S | . | . | trans | -127.8 | 145.9 | 177.6 | -58.8 | -78.7 | 0 | 0 | 0 | 111.6 | Q636 S832 N836 D837 | Q636-F834 PolarHBondContact NE2-O 3.49Å; S832-F834 WeakPolarHBondContact OG-CE2 3.19Å; S832-F834 WeakPolarHBondContact OG-CZ 3.43Å; F834-N836 PolarHBondContact O-N 2.78Å; F834-N836 VanDerWaalsContact O-N 3.13Å; F834-D837 PolarHBondContact N-OD2 2.81Å; F834-D837 WeakPolarHBondContact O-CB 3.12Å; F834-D837 VanDerWaalsContact O-CG 3.32Å; F834-D837 PolarHBondContact O-N 2.79Å | ||
| 835 | E | 65.7 | Low | 68.8 | Low | 142 Ų | 142 | 56.7 Ų | 56.7 | 66% | 0.664 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -32.2 | -176.6 | -73.9 | -175.4 | 166.3 | 0 | 0 | 113.8 | Q636 L678 D837 | Q636-E835 VanDerWaalsContact NE2-CA 3.35Å; Q636-E835 PolarHBondContact NE2-O 2.86Å; L678-E835 HydrophobicContact CD1-CG 3.81Å; E835-D837 PolarHBondContact O-N 2.64Å |
| 836 | N | 61.8 | Low | 66.1 | Low | 153 Ų | 153 | 60.8 Ų | 60.8 | 82% | 0.818 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 13 | -176.7 | -69.3 | -19.9 | 0 | 0 | 0 | 114.8 | F834 V838 | F834-N836 PolarHBondContact O-N 2.78Å; F834-N836 VanDerWaalsContact O-N 3.13Å; N836-V838 PolarHBondContact O-N 2.95Å |
| 837 | D | 60.4 | Low | 63.5 | Low | 24 Ų | 24 | 64.4 Ų | 64.4 | 13% | 0.128 | 33% | 0.332 | C | S | . | . | trans | -64.9 | 120.7 | 178.1 | -75.9 | -38.2 | 0 | 0 | 0 | 111 | T634 R778 F834 E835 F842 | T634-D837 WeakPolarHBondContact CA-O 3.47Å; T634-D837 WeakPolarHBondContact CB-O 3.36Å; R778-D837 IonicContact CZ-OD1 3.56Å; R778-D837 IonicContact CZ-OD2 2.68Å; R778-D837 IonicContact NH2-OD1 2.79Å; R778-D837 PolarHBondContact NH2-OD1 2.84Å; R778-D837 IonicContact NH2-OD2 2.88Å; R778-D837 PolarHBondContact NH2-OD2 2.79Å; R778-D837 VanDerWaalsContact NH2-OD2 3.1Å; F834-D837 PolarHBondContact N-OD2 2.81Å; F834-D837 WeakPolarHBondContact O-CB 3.12Å; F834-D837 VanDerWaalsContact O-CG 3.32Å; F834-D837 PolarHBondContact O-N 2.79Å; E835-D837 PolarHBondContact O-N 2.64Å; D837-F842 HydrophobicContact CB-CD2 4.43Å; D837-F842 HydrophobicContact CB-CE2 3.81Å; D837-F842 WeakPolarHBondContact OD2-CE2 3.34Å | ||
| 838 | V | 52.2 | Low | 60.9 | Low | 112 Ų | 112 | 67.5 Ų | 67.5 | 68% | 0.679 | 36% | 0.357 | S | S | * | . | trans | -87 | 138 | 178.1 | 179.8 | 0 | 0 | 0 | 0 | 109.9 | N836 K840 A841 | N836-V838 PolarHBondContact O-N 2.95Å; V838-K840 PolarHBondContact O-N 3.08Å; V838-A841 PolarHBondContact O-N 2.92Å | ||
| 839 | K | 51.9 | Low | 58.1 | Low | 126 Ų | 126 | 71.8 Ų | 71.8 | 55% | 0.548 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -20.6 | -43.3 | 177.7 | -110.8 | 176.9 | -172.7 | -176.6 | 0 | 118.5 | T632 N633 A841 | T632-K839 WeakPolarHBondContact O-CE 3.49Å; T632-K839 PolarHBondContact O-NZ 2.9Å; N633-K839 WeakPolarHBondContact O-CG 3.3Å; K839-A841 PolarHBondContact O-N 2.96Å; K839-A841 VanDerWaalsContact O-N 3.15Å |
| 840 | K | 48.2 | Very low | 55.5 | Low | 191 Ų | 191 | 78.7 Ų | 78.7 | 83% | 0.83 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -61 | -21.9 | -177.5 | -75.9 | -171.1 | 175.7 | -176 | 0 | 113.6 | V838 | V838-K840 PolarHBondContact O-N 3.08Š|
| 841 | A | 46.1 | Very low | 52.8 | Low | 20 Ų | 20 | 83 Ų | 83 | 17% | 0.165 | 44% | 0.444 | C | S | . | . | G | 310 helix | trans | -81.7 | -15.5 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | V838 K839 | V838-A841 PolarHBondContact O-N 2.92Å; K839-A841 PolarHBondContact O-N 2.96Å; K839-A841 VanDerWaalsContact O-N 3.15Å |
| 842 | F | 47.4 | Very low | 50.4 | Low | 8 Ų | 8 | 84.7 Ų | 84.7 | 4% | 0.035 | 46% | 0.456 | C | S | . | . | trans | -125.6 | 15.4 | -174.2 | -71.2 | -73.4 | 0 | 0 | 0 | 114.8 | G635 Q636 L681 Q833 D837 V844 | G635-F842 WeakPolarHBondContact O-CB 3.27Å; G635-F842 WeakPolarHBondContact O-CG 3.31Å; Q636-F842 HydrophobicContact CG-CE2 4.39Å; L681-F842 HydrophobicContact CD2-CD1 3.67Å; L681-F842 HydrophobicContact CD2-CE1 3.33Å; L681-F842 HydrophobicContact CD2-CZ 4.42Å; Q833-F842 HydrophobicContact CG-CZ 4.12Å; D837-F842 HydrophobicContact CB-CD2 4.43Å; D837-F842 HydrophobicContact CB-CE2 3.81Å; D837-F842 WeakPolarHBondContact OD2-CE2 3.34Å; F842-V844 PolarHBondContact O-N 2.85Å | ||
| 843 | D | 43.5 | Very low | 48.5 | Very low | 126 Ų | 126 | 88.8 Ų | 88.8 | 67% | 0.674 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | 27.3 | 167.6 | -105.6 | -8.8 | 0 | 0 | 0 | 112.3 | Y845 | D843-Y845 PolarHBondContact O-N 3.48Š|
| 844 | V | 44.6 | Very low | 46.5 | Very low | 28 Ų | 28 | 96.3 Ų | 96.3 | 17% | 0.17 | 50% | 0.496 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -29.4 | 173.3 | -169.5 | 0 | 0 | 0 | 0 | 110.8 | L713 Q775 F842 | L713-V844 HydrophobicContact CD1-CG1 4.34Å; L713-V844 HydrophobicContact CD2-CG1 3.83Å; Q775-V844 VanDerWaalsContact NE2-CG2 3.29Å; F842-V844 PolarHBondContact O-N 2.85Å |
| 845 | Y | 46.1 | Very low | 44.8 | Very low | 26 Ų | 26 | 96.7 Ų | 96.7 | 10% | 0.102 | 50% | 0.495 | C | S | . | . | S | Bend | trans | -120.6 | 84.6 | 176.5 | -50.8 | -78.3 | 0 | 0 | 0 | 109.2 | M637 D707 F708 I709 D843 | M637-Y845 HydrophobicContact CE-CD2 4.29Å; M637-Y845 HydrophobicContact SD-CD2 4.18Å; D707-Y845 HydrophobicContact CB-CE1 3.85Å; D707-Y845 WeakPolarHBondContact OD2-CE1 3.4Å; F708-Y845 HydrophobicContact CD1-CE1 4.16Å; F708-Y845 HydrophobicContact CE1-CD1 4.1Å; F708-Y845 AromaticContact CE1-CE1 3.38Å; F708-Y845 HydrophobicContact CE1-CE1 3.38Å; F708-Y845 HydrophobicContact CE1-CE2 4.1Å; F708-Y845 AromaticContact CE1-CZ 3.41Å; F708-Y845 VanDerWaalsContact CE1-CZ 3.41Å; F708-Y845 AromaticContact CZ-CD1 3.95Å; F708-Y845 HydrophobicContact CZ-CD1 3.95Å; F708-Y845 AromaticContact CZ-CE1 3.68Å; F708-Y845 HydrophobicContact CZ-CE1 3.68Å; I709-Y845 HydrophobicContact CD1-CD1 4.18Å; D843-Y845 PolarHBondContact O-N 3.48Å |
| 846 | P | 36.8 | Very low | 43.8 | Very low | 87 Ų | 87 | 91 Ų | 91 | 57% | 0.565 | 47% | 0.471 | S | S | * | . | trans | -52.7 | 141.6 | 160.9 | 23.9 | -31 | 0 | 0 | 0 | 107.3 | A848 | P846-A848 PolarHBondContact O-N 3.41Š| ||
| 847 | P | 37.7 | Very low | 42.8 | Very low | 97 Ų | 97 | 92.1 Ų | 92.1 | 63% | 0.63 | 46% | 0.464 | S | S | * | . | trans | -52.8 | 111.3 | 176.8 | 21.2 | -31.2 | 0 | 0 | 0 | 106.9 | P849 | P847-P849 VanDerWaalsContact O-N 3.11Š| ||
| 848 | A | 39.1 | Very low | 42.3 | Very low | 64 Ų | 64 | 92 Ų | 92 | 53% | 0.529 | 46% | 0.463 | S | S | . | . | trans | -50.5 | 127.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 107 | P846 L850 | P846-A848 PolarHBondContact O-N 3.41Å; A848-L850 PolarHBondContact O-N 2.71Å | ||
| 849 | P | 32.7 | Very low | 42.4 | Very low | 93 Ų | 93 | 88.1 Ų | 88.1 | 60% | 0.604 | 44% | 0.441 | S | S | * | . | trans | -50.8 | 143.9 | 170.7 | 19.4 | -28.7 | 0 | 0 | 0 | 107.5 | P847 Q851 | P847-P849 VanDerWaalsContact O-N 3.11Å; P849-Q851 PolarHBondContact O-N 2.86Å | ||
| 850 | L | 36.9 | Very low | 43.1 | Very low | 146 Ų | 146 | 82.7 Ų | 82.7 | 76% | 0.764 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -53.6 | 9.5 | -176.9 | -75.5 | 150.9 | 0 | 0 | 0 | 115.4 | A848 S852 | A848-L850 PolarHBondContact O-N 2.71Å; L850-S852 PolarHBondContact O-N 3.04Å; L850-S852 VanDerWaalsContact O-N 3.08Å |
| 851 | Q | 32.9 | Very low | 44.1 | Very low | 153 Ų | 153 | 80.7 Ų | 80.7 | 72% | 0.715 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -56.6 | 110.1 | 166.1 | -67.2 | -174.9 | -3.6 | 0 | 0 | 109 | P849 R853 | P849-Q851 PolarHBondContact O-N 2.86Å; Q851-R853 PolarHBondContact O-N 3.15Å |
| 852 | S | 37.7 | Very low | 45.5 | Very low | 36 Ų | 36 | 86 Ų | 86 | 25% | 0.252 | 43% | 0.433 | S | S | . | . | trans | 12 | 101.8 | 166.8 | -172.9 | 0 | 0 | 0 | 0 | 114 | E562 L850 R854 | E562-S852 PolarHBondContact OE1-OG 3.41Å; E562-S852 PolarHBondContact OE2-OG 3.45Å; L850-S852 PolarHBondContact O-N 3.04Å; L850-S852 VanDerWaalsContact O-N 3.08Å; S852-R854 PolarHBondContact O-N 3.5Å; S852-R854 WeakPolarHBondContact OG-CG 3.26Å; S852-R854 PolarHBondContact OG-N 2.93Å; S852-R854 PolarHBondContact OG-NE 2.82Å | ||
| 853 | R | 42.4 | Very low | 47 | Very low | 106 Ų | 106 | 88 Ų | 88 | 40% | 0.4 | 44% | 0.444 | S | S | . | . | trans | -67.8 | 58.9 | 160 | -64.4 | 180 | 179 | -155.1 | -5 | 108.2 | G560 Y561 V605 Q851 | G560-R853 PolarHBondContact O-N 3.13Å; Y561-R853 PolarHBondContact OH-NH1 3.5Å; V605-R853 PolarHBondContact O-NH1 2.97Å; Q851-R853 PolarHBondContact O-N 3.15Å | ||
| 854 | R | 37.8 | Very low | 48.9 | Very low | 176 Ų | 176 | 83.5 Ų | 83.5 | 66% | 0.664 | 42% | 0.42 | S | S | * | . | trans | -55.6 | 157.3 | 150 | -84.7 | 167 | -162.5 | -163.8 | 7.1 | 106.5 | E562 S852 | E562-R854 IonicContact OE2-CZ 2.63Å; E562-R854 IonicContact OE2-NE 3.32Å; E562-R854 PolarHBondContact OE2-NE 2.87Å; E562-R854 IonicContact OE2-NH2 3.45Å; E562-R854 PolarHBondContact OE2-NH2 3.38Å; S852-R854 PolarHBondContact O-N 3.5Å; S852-R854 WeakPolarHBondContact OG-CG 3.26Å; S852-R854 PolarHBondContact OG-N 2.93Å; S852-R854 PolarHBondContact OG-NE 2.82Å | ||
| 855 | Y | 39.8 | Very low | 50.8 | Low | 116 Ų | 116 | 86 Ų | 86 | 46% | 0.455 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -27.1 | 150.5 | 174.1 | -70.7 | -89 | 0 | 0 | 0 | 112.9 | Q563 R857 | Q563-Y855 VanDerWaalsContact NE2-CZ 3.29Å; Y855-R857 PolarHBondContact O-N 3.32Å |
| 856 | S | 43.7 | Very low | 52.6 | Low | 24 Ų | 24 | 89.1 Ų | 89.1 | 17% | 0.168 | 45% | 0.45 | C | S | . | . | trans | -33.6 | 117.1 | 147.9 | 58.2 | 0 | 0 | 0 | 0 | 108.8 | F708 I709 L858 | F708-S856 WeakPolarHBondContact O-CB 3.2Å; I709-S856 CarbonylContact O-C 3.58Å; S856-L858 PolarHBondContact O-N 3.36Å | ||
| 857 | R | 41.2 | Very low | 55 | Low | 176 Ų | 176 | 85.6 Ų | 85.6 | 66% | 0.664 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -58.8 | 0.3 | 177 | -69.3 | 177.9 | 172 | 162 | -3.9 | 112.6 | I709 D711 Y855 S859 | I709-R857 WeakPolarHBondContact O-CB 3.19Å; I709-R857 PolarHBondContact O-N 3.18Å; D711-R857 IonicContact OD1-NH1 3.32Å; Y855-R857 PolarHBondContact O-N 3.32Å; R857-S859 PolarHBondContact O-N 2.98Å |
| 858 | L | 49.8 | Very low | 57.3 | Low | 21 Ų | 21 | 83.2 Ų | 83.2 | 11% | 0.11 | 41% | 0.407 | C | S | . | . | trans | -51.7 | 67.8 | 161.1 | -76.5 | 151.6 | 0 | 0 | 0 | 112.5 | P609 I685 M706 D707 S856 V860 | P609-L858 HydrophobicContact CG-CD1 3.6Å; I685-L858 HydrophobicContact CD1-CD2 3.68Å; I685-L858 HydrophobicContact CG1-CD2 4.12Å; M706-L858 HydrophobicContact CB-CD2 4.46Å; M706-L858 HydrophobicContact CE-CD2 3.78Å; M706-L858 HydrophobicContact SD-CD2 4.27Å; D707-L858 WeakPolarHBondContact O-CD1 3.47Å; S856-L858 PolarHBondContact O-N 3.36Å; L858-V860 HydrophobicContact CD2-CG2 3.98Å; L858-V860 PolarHBondContact O-N 3.23Å | ||
| 859 | S | 54.3 | Low | 59.7 | Low | 30 Ų | 30 | 85.7 Ų | 85.7 | 21% | 0.21 | 41% | 0.411 | C | S | . | . | trans | -76.3 | 78.5 | 147.9 | 52.9 | 0 | 0 | 0 | 0 | 106.1 | R857 E861 E862 L863 | R857-S859 PolarHBondContact O-N 2.98Å; S859-E861 PolarHBondContact O-N 2.9Å; S859-E862 PolarHBondContact O-N 2.73Å; S859-E862 WeakPolarHBondContact OG-CB 3.31Å; S859-E862 WeakPolarHBondContact OG-CG 3.47Å; S859-E862 PolarHBondContact OG-OE1 3.35Å; S859-E862 PolarHBondContact OG-OE2 2.79Å; S859-L863 PolarHBondContact O-N 3.49Å | ||
| 860 | V | 65.8 | Low | 62.3 | Low | 12 Ų | 12 | 84.8 Ų | 84.8 | 7% | 0.073 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -51.6 | -23.9 | 160.3 | 176.2 | 0 | 0 | 0 | 0 | 109.8 | T611 F689 F824 L858 L863 D864 | T611-V860 HydrophobicContact CG2-CB 3.86Å; T611-V860 HydrophobicContact CG2-CG1 4.07Å; T611-V860 HydrophobicContact CG2-CG2 3.5Å; F689-V860 HydrophobicContact CE1-CG1 4.22Å; F689-V860 HydrophobicContact CZ-CG1 3.82Å; F824-V860 HydrophobicContact CD1-CG1 4.24Å; F824-V860 HydrophobicContact CE1-CG1 3.76Å; F824-V860 HydrophobicContact CZ-CG1 4.03Å; L858-V860 HydrophobicContact CD2-CG2 3.98Å; L858-V860 PolarHBondContact O-N 3.23Å; V860-L863 PolarHBondContact O-N 2.84Å; V860-D864 VanDerWaalsContact O-CB 3.24Å; V860-D864 WeakPolarHBondContact O-CB 3.39Å; V860-D864 PolarHBondContact O-N 3.09Å |
| 861 | E | 69.5 | Low | 64.8 | Low | 150 Ų | 150 | 77.9 Ų | 77.9 | 70% | 0.701 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -54.8 | -44.6 | 166.2 | -59.9 | -178.8 | 172.6 | 0 | 0 | 114.4 | S859 D864 D865 | S859-E861 PolarHBondContact O-N 2.9Å; E861-D864 WeakPolarHBondContact O-CB 3.49Å; E861-D864 PolarHBondContact O-N 3.43Å; E861-D865 PolarHBondContact O-N 2.86Å |
| 862 | E | 75.4 | Confident | 67.5 | Low | 130 Ų | 130 | 75.1 Ų | 75.1 | 61% | 0.607 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -68.2 | -41.6 | 177.4 | -77 | 171.4 | -143.3 | 0 | 0 | 111.4 | S859 D864 D865 I866 | S859-E862 PolarHBondContact O-N 2.73Å; S859-E862 WeakPolarHBondContact OG-CB 3.31Å; S859-E862 WeakPolarHBondContact OG-CG 3.47Å; S859-E862 PolarHBondContact OG-OE1 3.35Å; S859-E862 PolarHBondContact OG-OE2 2.79Å; E862-D864 VanDerWaalsContact C-N 3.29Å; E862-D864 PolarHBondContact O-N 2.76Å; E862-D865 PolarHBondContact O-N 3.16Å; E862-I866 VanDerWaalsContact O-CG1 3.31Å; E862-I866 WeakPolarHBondContact O-CG1 2.89Å; E862-I866 PolarHBondContact O-N 3.46Å |
| 863 | L | 79.3 | Confident | 69.8 | Low | 52 Ų | 52 | 77 Ų | 77 | 27% | 0.272 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.9 | -37.1 | 175.2 | -67.8 | 173.4 | 0 | 0 | 0 | 111.7 | P687 F689 M706 S859 V860 S867 | P687-L863 HydrophobicContact CG-CD1 3.95Å; F689-L863 VanDerWaalsContact CE2-C 3.5Å; F689-L863 HydrophobicContact CE2-CB 3.77Å; F689-L863 WeakPolarHBondContact CE2-O 3.12Å; F689-L863 HydrophobicContact CZ-CB 4.01Å; M706-L863 HydrophobicContact CE-CD1 3.32Å; M706-L863 HydrophobicContact SD-CD1 3.82Å; S859-L863 PolarHBondContact O-N 3.49Å; V860-L863 PolarHBondContact O-N 2.84Å; L863-S867 WeakPolarHBondContact O-CB 3.32Å; L863-S867 PolarHBondContact O-N 3.48Å |
| 864 | D | 82.8 | Confident | 71.9 | Confident | 31 Ų | 31 | 72 Ų | 72 | 17% | 0.166 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.7 | -52.6 | 174.1 | -173.8 | 27.2 | 0 | 0 | 0 | 109.2 | F689 V860 E861 E862 I866 S867 K868 | F689-D864 HydrophobicContact CD1-CB 4.09Å; F689-D864 WeakPolarHBondContact CD1-OD1 3.39Å; F689-D864 VanDerWaalsContact CE1-CA 3.46Å; F689-D864 HydrophobicContact CE1-CB 3.34Å; F689-D864 WeakPolarHBondContact CE1-OD1 3.32Å; F689-D864 HydrophobicContact CZ-CB 3.59Å; V860-D864 VanDerWaalsContact O-CB 3.24Å; V860-D864 WeakPolarHBondContact O-CB 3.39Å; V860-D864 PolarHBondContact O-N 3.09Å; E861-D864 WeakPolarHBondContact O-CB 3.49Å; E861-D864 PolarHBondContact O-N 3.43Å; E862-D864 VanDerWaalsContact C-N 3.29Å; E862-D864 PolarHBondContact O-N 2.76Å; D864-I866 VanDerWaalsContact C-N 3.33Å; D864-I866 PolarHBondContact O-N 3.33Å; D864-S867 CarbonylContact O-C 3.59Å; D864-S867 WeakPolarHBondContact O-CA 3.41Å; D864-S867 WeakPolarHBondContact O-CB 3.36Å; D864-S867 PolarHBondContact O-N 3.07Å; D864-K868 VanDerWaalsContact O-CG 3.26Å; D864-K868 WeakPolarHBondContact O-CG 3.41Å; D864-K868 PolarHBondContact O-N 2.98Å; D864-K868 WeakPolarHBondContact OD1-CE 3.39Å; D864-K868 IonicContact OD1-NZ 3.64Å; D864-K868 WeakPolarHBondContact OD2-CE 3.38Å; D864-K868 IonicContact OD2-NZ 2.73Å; D864-K868 PolarHBondContact OD2-NZ 2.89Å |
| 865 | D | 84.9 | Confident | 74.3 | Confident | 81 Ų | 81 | 65.2 Ų | 65.2 | 43% | 0.433 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.5 | -40.9 | 180 | -71.9 | -14.4 | 0 | 0 | 0 | 113 | E861 E862 S867 K868 L869 | E861-D865 PolarHBondContact O-N 2.86Å; E862-D865 PolarHBondContact O-N 3.16Å; D865-S867 VanDerWaalsContact C-N 3.35Å; D865-S867 PolarHBondContact O-N 2.95Å; D865-K868 PolarHBondContact O-N 3.32Å; D865-K868 IonicContact OD1-NZ 3.51Å; D865-K868 PolarHBondContact OD1-NZ 3.49Å; D865-L869 WeakPolarHBondContact O-CG 3.36Å; D865-L869 PolarHBondContact O-N 3.22Å |
| 866 | I | 84.9 | Confident | 76.5 | Confident | 90 Ų | 90 | 65.8 Ų | 65.8 | 46% | 0.462 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.5 | -46.1 | 171.6 | -68.5 | 166.9 | 0 | 0 | 0 | 110.5 | E862 D864 K868 L869 K870 | E862-I866 VanDerWaalsContact O-CG1 3.31Å; E862-I866 WeakPolarHBondContact O-CG1 2.89Å; E862-I866 PolarHBondContact O-N 3.46Å; D864-I866 VanDerWaalsContact C-N 3.33Å; D864-I866 PolarHBondContact O-N 3.33Å; I866-K868 VanDerWaalsContact C-N 3.34Å; I866-K868 PolarHBondContact O-N 2.97Å; I866-L869 PolarHBondContact O-N 2.87Å; I866-K870 HydrophobicContact CG2-CD 4.29Å; I866-K870 WeakPolarHBondContact O-CG 3.32Å; I866-K870 PolarHBondContact O-N 3.28Å |
| 867 | S | 85.7 | Confident | 78.5 | Confident | 13 Ų | 13 | 67.1 Ų | 67.1 | 9% | 0.091 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.5 | -37.6 | 178.3 | -172.2 | 0 | 0 | 0 | 0 | 112.6 | F689 L863 D864 D865 T871 | F689-S867 VanDerWaalsContact CB-OG 3.29Å; F689-S867 WeakPolarHBondContact CB-OG 3.27Å; L863-S867 WeakPolarHBondContact O-CB 3.32Å; L863-S867 PolarHBondContact O-N 3.48Å; D864-S867 CarbonylContact O-C 3.59Å; D864-S867 WeakPolarHBondContact O-CA 3.41Å; D864-S867 WeakPolarHBondContact O-CB 3.36Å; D864-S867 PolarHBondContact O-N 3.07Å; D865-S867 VanDerWaalsContact C-N 3.35Å; D865-S867 PolarHBondContact O-N 2.95Å; S867-T871 WeakPolarHBondContact O-CB 3.23Å; S867-T871 PolarHBondContact O-N 3.41Å; S867-T871 PolarHBondContact O-OG1 3.44Å |
| 868 | K | 87.7 | Confident | 80.5 | Confident | 48 Ų | 48 | 59.5 Ų | 59.5 | 21% | 0.209 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.1 | -51.4 | 175.1 | -67.8 | -177.4 | -170.4 | 131.7 | 0 | 110.1 | R691 D864 D865 I866 K870 T871 E872 | R691-K868 VanDerWaalsContact NH1-CG 3.3Å; D864-K868 VanDerWaalsContact O-CG 3.26Å; D864-K868 WeakPolarHBondContact O-CG 3.41Å; D864-K868 PolarHBondContact O-N 2.98Å; D864-K868 WeakPolarHBondContact OD1-CE 3.39Å; D864-K868 IonicContact OD1-NZ 3.64Å; D864-K868 WeakPolarHBondContact OD2-CE 3.38Å; D864-K868 IonicContact OD2-NZ 2.73Å; D864-K868 PolarHBondContact OD2-NZ 2.89Å; D865-K868 PolarHBondContact O-N 3.32Å; D865-K868 IonicContact OD1-NZ 3.51Å; D865-K868 PolarHBondContact OD1-NZ 3.49Å; I866-K868 VanDerWaalsContact C-N 3.34Å; I866-K868 PolarHBondContact O-N 2.97Å; K868-K870 PolarHBondContact O-N 2.86Å; K868-T871 PolarHBondContact O-N 3.46Å; K868-T871 VanDerWaalsContact O-N 3.16Å; K868-E872 WeakPolarHBondContact O-CB 3.16Å; K868-E872 WeakPolarHBondContact O-CG 3.48Å; K868-E872 PolarHBondContact O-N 3.19Å |
| 869 | L | 89.1 | Confident | 82.1 | Confident | 116 Ų | 116 | 59.7 Ų | 59.7 | 61% | 0.607 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -60.6 | -44.2 | 179 | -71.2 | 171.7 | 0 | 0 | 0 | 111.9 | D865 I866 T871 E872 L873 | D865-L869 WeakPolarHBondContact O-CG 3.36Å; D865-L869 PolarHBondContact O-N 3.22Å; I866-L869 PolarHBondContact O-N 2.87Å; L869-T871 VanDerWaalsContact C-N 3.32Å; L869-T871 PolarHBondContact O-N 3.45Å; L869-E872 PolarHBondContact O-N 2.83Å; L869-L873 VanDerWaalsContact O-CB 3.26Å; L869-L873 WeakPolarHBondContact O-CB 3.4Å; L869-L873 PolarHBondContact O-N 3.02Å |
| 870 | K | 86.8 | Confident | 83.6 | Confident | 73 Ų | 73 | 62.7 Ų | 62.7 | 32% | 0.317 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.8 | -43.5 | 174.5 | -76.7 | 177.9 | 175 | -177.1 | 0 | 112.1 | E701 I866 K868 T874 L927 | E701-K870 IonicContact OE1-NZ 3.4Å; E701-K870 PolarHBondContact OE1-NZ 3.48Å; I866-K870 HydrophobicContact CG2-CD 4.29Å; I866-K870 WeakPolarHBondContact O-CG 3.32Å; I866-K870 PolarHBondContact O-N 3.28Å; K868-K870 PolarHBondContact O-N 2.86Å; K870-T874 WeakPolarHBondContact O-CB 3.47Å; K870-T874 PolarHBondContact O-N 3.4Å; K870-T874 PolarHBondContact O-OG1 2.72Å; K870-L927 HydrophobicContact CB-CD2 4.02Å |
| 871 | T | 88.6 | Confident | 84.6 | Confident | 2 Ų | 2 | 64.5 Ų | 64.5 | 1% | 0.012 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.2 | -46.5 | 180 | -55.1 | 0 | 0 | 0 | 0 | 110.9 | R691 A692 Y695 S867 K868 L869 L873 T874 I875 | R691-T871 HydrophobicContact CB-CG2 4.43Å; R691-T871 HydrophobicContact CG-CG2 3.99Å; A692-T871 HydrophobicContact CB-CG2 4.46Å; Y695-T871 HydrophobicContact CD2-CG2 4.43Å; S867-T871 WeakPolarHBondContact O-CB 3.23Å; S867-T871 PolarHBondContact O-N 3.41Å; S867-T871 PolarHBondContact O-OG1 3.44Å; K868-T871 PolarHBondContact O-N 3.46Å; K868-T871 VanDerWaalsContact O-N 3.16Å; L869-T871 VanDerWaalsContact C-N 3.32Å; L869-T871 PolarHBondContact O-N 3.45Å; T871-L873 PolarHBondContact O-N 3.26Å; T871-T874 PolarHBondContact O-N 2.61Å; T871-I875 HydrophobicContact CG2-CD1 3.9Å; T871-I875 VanDerWaalsContact O-CG1 3.27Å; T871-I875 WeakPolarHBondContact O-CG1 3.26Å; T871-I875 PolarHBondContact O-N 2.79Å |
| 872 | E | 89.2 | Confident | 85.3 | Confident | 94 Ų | 94 | 57.8 Ų | 57.8 | 44% | 0.439 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.6 | -43.7 | 177.6 | -74.7 | 175.6 | -166.9 | 0 | 0 | 112.1 | R691 K868 L869 T874 I875 L876 | R691-E872 IonicContact NH1-OE1 3.86Å; K868-E872 WeakPolarHBondContact O-CB 3.16Å; K868-E872 WeakPolarHBondContact O-CG 3.48Å; K868-E872 PolarHBondContact O-N 3.19Å; L869-E872 PolarHBondContact O-N 2.83Å; E872-T874 VanDerWaalsContact C-N 3.31Å; E872-T874 PolarHBondContact O-N 2.55Å; E872-I875 PolarHBondContact O-N 2.75Å; E872-L876 WeakPolarHBondContact O-CG 3.33Å; E872-L876 PolarHBondContact O-N 2.63Å |
| 873 | L | 88 | Confident | 85.7 | Confident | 75 Ų | 75 | 57.8 Ų | 57.8 | 39% | 0.393 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.1 | -41.2 | 175.2 | -175.1 | 128.4 | 0 | 0 | 0 | 111.5 | L869 T871 L876 Q877 L931 | L869-L873 VanDerWaalsContact O-CB 3.26Å; L869-L873 WeakPolarHBondContact O-CB 3.4Å; L869-L873 PolarHBondContact O-N 3.02Å; T871-L873 PolarHBondContact O-N 3.26Å; L873-L876 PolarHBondContact O-N 3.45Å; L873-Q877 WeakPolarHBondContact O-CB 3.35Å; L873-Q877 VanDerWaalsContact O-CG 3.29Å; L873-Q877 WeakPolarHBondContact O-CG 3.14Å; L873-Q877 PolarHBondContact O-N 3.07Å; L873-L931 HydrophobicContact CD2-CD2 4.14Å |
| 874 | T | 86 | Confident | 86.1 | Confident | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.012 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.3 | -39.9 | 176.8 | -55.3 | 0 | 0 | 0 | 0 | 111.8 | L697 K870 T871 E872 R878 L927 | L697-T874 HydrophobicContact CD1-CG2 3.85Å; L697-T874 HydrophobicContact CD2-CG2 4.23Å; K870-T874 WeakPolarHBondContact O-CB 3.47Å; K870-T874 PolarHBondContact O-N 3.4Å; K870-T874 PolarHBondContact O-OG1 2.72Å; T871-T874 PolarHBondContact O-N 2.61Å; E872-T874 VanDerWaalsContact C-N 3.31Å; E872-T874 PolarHBondContact O-N 2.55Å; T874-R878 VanDerWaalsContact O-CG 3.25Å; T874-R878 WeakPolarHBondContact O-CG 3.44Å; T874-R878 PolarHBondContact O-N 3.06Å; T874-L927 HydrophobicContact CG2-CG 4.39Å; T874-L927 WeakPolarHBondContact OG1-CD2 3.45Å |
| 875 | I | 86.8 | Confident | 86.3 | Confident | 33 Ų | 33 | 63 Ų | 63 | 17% | 0.169 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 174.6 | -70.4 | 162.1 | 0 | 0 | 0 | 110.6 | Y695 L697 F747 T871 E872 R878 G879 | Y695-I875 HydrophobicContact CD1-CD1 3.69Å; Y695-I875 HydrophobicContact CD1-CG1 4.06Å; Y695-I875 HydrophobicContact CD2-CD1 3.67Å; Y695-I875 HydrophobicContact CD2-CG1 4.44Å; Y695-I875 HydrophobicContact CE1-CD1 3.61Å; Y695-I875 HydrophobicContact CE1-CG1 4.38Å; Y695-I875 HydrophobicContact CE2-CD1 3.61Å; Y695-I875 HydrophobicContact CG-CD1 3.72Å; Y695-I875 HydrophobicContact CG-CG1 4.09Å; L697-I875 HydrophobicContact CD1-CG1 4.13Å; F747-I875 HydrophobicContact CE2-CG1 4.28Å; F747-I875 HydrophobicContact CZ-CG2 4.23Å; T871-I875 HydrophobicContact CG2-CD1 3.9Å; T871-I875 VanDerWaalsContact O-CG1 3.27Å; T871-I875 WeakPolarHBondContact O-CG1 3.26Å; T871-I875 PolarHBondContact O-N 2.79Å; E872-I875 PolarHBondContact O-N 2.75Å; I875-R878 CarbonylContact O-C 3.53Å; I875-R878 WeakPolarHBondContact O-CA 2.91Å; I875-R878 PolarHBondContact O-N 3.48Å; I875-G879 PolarHBondContact O-N 3.32Å |
| 876 | L | 87.3 | Confident | 86.4 | Confident | 129 Ų | 129 | 62 Ų | 62 | 68% | 0.675 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -65.4 | -44.3 | 178.4 | -72.7 | 173.8 | 0 | 0 | 0 | 112.3 | E872 L873 R878 G879 L880 | E872-L876 WeakPolarHBondContact O-CG 3.33Å; E872-L876 PolarHBondContact O-N 2.63Å; L873-L876 PolarHBondContact O-N 3.45Å; L876-R878 PolarHBondContact O-N 3.05Å; L876-G879 PolarHBondContact O-N 3.48Å; L876-L880 WeakPolarHBondContact O-CB 3.45Å; L876-L880 PolarHBondContact O-N 3.48Å |
| 877 | Q | 85.9 | Confident | 86.6 | Confident | 52 Ų | 52 | 61.7 Ų | 61.7 | 24% | 0.243 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.6 | -40 | 171.7 | -72.8 | 176.2 | -11.6 | 0 | 0 | 110.9 | L873 L880 D881 T930 | L873-Q877 WeakPolarHBondContact O-CB 3.35Å; L873-Q877 VanDerWaalsContact O-CG 3.29Å; L873-Q877 WeakPolarHBondContact O-CG 3.14Å; L873-Q877 PolarHBondContact O-N 3.07Å; Q877-L880 PolarHBondContact O-N 2.88Å; Q877-D881 WeakPolarHBondContact O-CB 3.25Å; Q877-D881 PolarHBondContact O-N 2.91Å; Q877-T930 VanDerWaalsContact OE1-CG2 3.25Å |
| 878 | R | 83.2 | Confident | 86.7 | Confident | 15 Ų | 15 | 67.9 Ų | 67.9 | 6% | 0.057 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -39.4 | -69.2 | 163.1 | 62.7 | 173 | 135.7 | -121.5 | -12.5 | 114.7 | T874 I875 L876 L880 D881 L882 T925 | T874-R878 VanDerWaalsContact O-CG 3.25Å; T874-R878 WeakPolarHBondContact O-CG 3.44Å; T874-R878 PolarHBondContact O-N 3.06Å; I875-R878 CarbonylContact O-C 3.53Å; I875-R878 WeakPolarHBondContact O-CA 2.91Å; I875-R878 PolarHBondContact O-N 3.48Å; L876-R878 PolarHBondContact O-N 3.05Å; R878-L880 VanDerWaalsContact C-N 3.26Å; R878-L880 PolarHBondContact O-N 3.15Å; R878-D881 HydrophobicContact CB-CB 4.5Å; R878-D881 PolarHBondContact O-N 2.95Å; R878-L882 PolarHBondContact O-N 3.4Å; R878-T925 PolarHBondContact NH1-OG1 3.48Å; R878-T925 PolarHBondContact NH2-OG1 3.17Å |
| 879 | G | 83.7 | Confident | 86.7 | Confident | 26 Ų | 26 | 69.7 Ų | 69.7 | 27% | 0.268 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.4 | -40.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | I875 L876 L882 F883 | I875-G879 PolarHBondContact O-N 3.32Å; L876-G879 PolarHBondContact O-N 3.48Å; G879-L882 PolarHBondContact O-N 2.65Å; G879-F883 VanDerWaalsContact O-CB 3.31Å; G879-F883 WeakPolarHBondContact O-CB 3.36Å; G879-F883 PolarHBondContact O-N 3.03Å |
| 880 | L | 85.7 | Confident | 86.6 | Confident | 93 Ų | 93 | 68.4 Ų | 68.4 | 49% | 0.487 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.7 | -45.9 | 177.9 | -177.4 | 61.8 | 0 | 0 | 0 | 112.4 | L876 Q877 R878 L882 F883 L884 | L876-L880 WeakPolarHBondContact O-CB 3.45Å; L876-L880 PolarHBondContact O-N 3.48Å; Q877-L880 PolarHBondContact O-N 2.88Å; R878-L880 VanDerWaalsContact C-N 3.26Å; R878-L880 PolarHBondContact O-N 3.15Å; L880-L882 VanDerWaalsContact C-N 3.28Å; L880-L882 PolarHBondContact O-N 2.78Å; L880-F883 PolarHBondContact O-N 3.42Å; L880-L884 HydrophobicContact CD1-CD1 4.37Å; L880-L884 HydrophobicContact CD1-CG 4.29Å; L880-L884 HydrophobicContact CG-CD1 4.16Å; L880-L884 HydrophobicContact CG-CG 4.49Å; L880-L884 WeakPolarHBondContact O-CB 3.27Å; L880-L884 WeakPolarHBondContact O-CG 3.26Å; L880-L884 PolarHBondContact O-N 2.9Å |
| 881 | D | 85.2 | Confident | 86.7 | Confident | 49 Ų | 49 | 68.3 Ų | 68.3 | 26% | 0.262 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.2 | -38.5 | 176.4 | -82.2 | -9.1 | 0 | 0 | 0 | 111.4 | Q877 R878 R885 I922 | Q877-D881 WeakPolarHBondContact O-CB 3.25Å; Q877-D881 PolarHBondContact O-N 2.91Å; R878-D881 HydrophobicContact CB-CB 4.5Å; R878-D881 PolarHBondContact O-N 2.95Å; D881-R885 WeakPolarHBondContact O-CB 3.32Å; D881-R885 VanDerWaalsContact O-CG 3.31Å; D881-R885 WeakPolarHBondContact O-CG 3.4Å; D881-R885 PolarHBondContact O-N 3.41Å; D881-I922 HydrophobicContact CB-CD1 3.89Å |
| 882 | L | 84.1 | Confident | 86.7 | Confident | 10 Ų | 10 | 74.2 Ų | 74.2 | 5% | 0.052 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.2 | -46 | 175 | -177.5 | 66.5 | 0 | 0 | 0 | 111.1 | E749 R878 G879 L880 R885 K886 M920 I922 | E749-L882 WeakPolarHBondContact OE1-CD2 3.3Å; R878-L882 PolarHBondContact O-N 3.4Å; G879-L882 PolarHBondContact O-N 2.65Å; L880-L882 VanDerWaalsContact C-N 3.28Å; L880-L882 PolarHBondContact O-N 2.78Å; L882-R885 PolarHBondContact O-N 3.43Å; L882-K886 HydrophobicContact CD1-CG 4.43Å; L882-K886 HydrophobicContact CG-CD 4.21Å; L882-K886 HydrophobicContact CG-CG 4.45Å; L882-K886 WeakPolarHBondContact O-CB 3.16Å; L882-K886 WeakPolarHBondContact O-CG 3.37Å; L882-K886 PolarHBondContact O-N 3.2Å; L882-M920 HydrophobicContact CD1-CE 3.97Å; L882-M920 VanDerWaalsContact CD1-O 3.3Å; L882-M920 WeakPolarHBondContact CD1-O 3.4Å; L882-I922 HydrophobicContact CB-CD1 3.64Å; L882-I922 HydrophobicContact CB-CG1 4.11Å; L882-I922 HydrophobicContact CD1-CD1 4.09Å; L882-I922 HydrophobicContact CD1-CG1 3.67Å; L882-I922 HydrophobicContact CG-CD1 4.47Å; L882-I922 HydrophobicContact CG-CG1 4.47Å |
| 883 | F | 85.3 | Confident | 86.5 | Confident | 129 Ų | 129 | 70.9 Ų | 70.9 | 57% | 0.566 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -58.4 | -50.9 | 176.7 | -179.5 | -93.9 | 0 | 0 | 0 | 111.4 | G879 L880 R885 K886 D887 | G879-F883 VanDerWaalsContact O-CB 3.31Å; G879-F883 WeakPolarHBondContact O-CB 3.36Å; G879-F883 PolarHBondContact O-N 3.03Å; L880-F883 PolarHBondContact O-N 3.42Å; F883-R885 VanDerWaalsContact C-N 3.27Å; F883-R885 PolarHBondContact O-N 2.89Å; F883-K886 WeakPolarHBondContact O-CB 3.26Å; F883-K886 PolarHBondContact O-N 3.17Å; F883-K886 VanDerWaalsContact O-N 3.08Å; F883-D887 WeakPolarHBondContact O-CB 3.18Å; F883-D887 PolarHBondContact O-N 2.86Å |
| 884 | L | 88 | Confident | 86.5 | Confident | 77 Ų | 77 | 75.1 Ų | 75.1 | 40% | 0.403 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.3 | -33.3 | 179 | -70.3 | 173.8 | 0 | 0 | 0 | 112.7 | L880 K888 | L880-L884 HydrophobicContact CD1-CD1 4.37Å; L880-L884 HydrophobicContact CD1-CG 4.29Å; L880-L884 HydrophobicContact CG-CD1 4.16Å; L880-L884 HydrophobicContact CG-CG 4.49Å; L880-L884 WeakPolarHBondContact O-CB 3.27Å; L880-L884 WeakPolarHBondContact O-CG 3.26Å; L880-L884 PolarHBondContact O-N 2.9Å; L884-K888 WeakPolarHBondContact O-CG 3.3Å; L884-K888 PolarHBondContact O-N 3.49Å; L884-K888 VanDerWaalsContact O-N 3.15Å |
| 885 | R | 85.7 | Confident | 86.5 | Confident | 116 Ų | 116 | 81.1 Ų | 81.1 | 44% | 0.438 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -71.1 | -42.5 | 172.6 | -74.9 | -177.4 | -168.7 | 178.5 | 4.7 | 111.7 | D881 L882 F883 D887 K888 Q889 M920 | D881-R885 WeakPolarHBondContact O-CB 3.32Å; D881-R885 VanDerWaalsContact O-CG 3.31Å; D881-R885 WeakPolarHBondContact O-CG 3.4Å; D881-R885 PolarHBondContact O-N 3.41Å; L882-R885 PolarHBondContact O-N 3.43Å; F883-R885 VanDerWaalsContact C-N 3.27Å; F883-R885 PolarHBondContact O-N 2.89Å; R885-D887 VanDerWaalsContact C-N 3.31Å; R885-K888 PolarHBondContact O-N 2.86Å; R885-Q889 WeakPolarHBondContact O-CB 3.44Å; R885-Q889 VanDerWaalsContact O-CG 3.3Å; R885-Q889 WeakPolarHBondContact O-CG 3.5Å; R885-Q889 PolarHBondContact O-N 3.38Å; R885-M920 HydrophobicContact CB-CE 3.55Å |
| 886 | K | 87.2 | Confident | 86.4 | Confident | 59 Ų | 59 | 82.4 Ų | 82.4 | 26% | 0.257 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.6 | -44.9 | 176.8 | -76.9 | -178.2 | 173.6 | 180 | 0 | 109.7 | L882 F883 Q889 L890 L917 V918 M920 | L882-K886 HydrophobicContact CD1-CG 4.43Å; L882-K886 HydrophobicContact CG-CD 4.21Å; L882-K886 HydrophobicContact CG-CG 4.45Å; L882-K886 WeakPolarHBondContact O-CB 3.16Å; L882-K886 WeakPolarHBondContact O-CG 3.37Å; L882-K886 PolarHBondContact O-N 3.2Å; F883-K886 WeakPolarHBondContact O-CB 3.26Å; F883-K886 PolarHBondContact O-N 3.17Å; F883-K886 VanDerWaalsContact O-N 3.08Å; K886-Q889 CarbonylContact O-C 3.6Å; K886-Q889 PolarHBondContact O-N 2.91Å; K886-L890 VanDerWaalsContact O-CB 3.32Å; K886-L890 WeakPolarHBondContact O-CB 3.42Å; K886-L890 PolarHBondContact O-N 3.37Å; K886-L917 HydrophobicContact CB-CD1 4.24Å; K886-L917 WeakPolarHBondContact CE-O 3.5Å; K886-L917 HydrophobicContact CG-CD1 4.31Å; K886-V918 PolarHBondContact NZ-O 3.39Å; K886-M920 HydrophobicContact CB-CE 4.22Å; K886-M920 HydrophobicContact CG-CE 3.47Å; K886-M920 VanDerWaalsContact CG-CE 3.47Å |
| 887 | D | 88.6 | Confident | 86.2 | Confident | 85 Ų | 85 | 77.9 Ų | 77.9 | 46% | 0.455 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -59.3 | -48.8 | 177 | -173.7 | 59.9 | 0 | 0 | 0 | 112.3 | F883 R885 Q889 L890 D891 | F883-D887 WeakPolarHBondContact O-CB 3.18Å; F883-D887 PolarHBondContact O-N 2.86Å; R885-D887 VanDerWaalsContact C-N 3.31Å; D887-Q889 VanDerWaalsContact C-N 3.31Å; D887-Q889 PolarHBondContact O-N 3.28Å; D887-L890 WeakPolarHBondContact O-CB 3.28Å; D887-L890 PolarHBondContact O-N 3.25Å; D887-D891 PolarHBondContact O-N 3.41Å |
| 888 | K | 89.4 | Confident | 86 | Confident | 143 Ų | 143 | 78.3 Ų | 78.3 | 62% | 0.622 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -60.8 | -37.5 | 174.7 | -74.5 | 177.7 | -176.8 | -178.7 | 0 | 113.4 | L884 R885 K892 | L884-K888 WeakPolarHBondContact O-CG 3.3Å; L884-K888 PolarHBondContact O-N 3.49Å; L884-K888 VanDerWaalsContact O-N 3.15Å; R885-K888 PolarHBondContact O-N 2.86Å; K888-K892 WeakPolarHBondContact O-CG 3.31Å; K888-K892 PolarHBondContact O-N 3.25Å |
| 889 | Q | 86.7 | Confident | 85.9 | Confident | 86 Ų | 86 | 85.1 Ų | 85.1 | 40% | 0.402 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -74.1 | -35 | 177.5 | -71.3 | -68.3 | -12.3 | 0 | 0 | 111.4 | R885 K886 D887 K892 L893 L917 M920 | R885-Q889 WeakPolarHBondContact O-CB 3.44Å; R885-Q889 VanDerWaalsContact O-CG 3.3Å; R885-Q889 WeakPolarHBondContact O-CG 3.5Å; R885-Q889 PolarHBondContact O-N 3.38Å; K886-Q889 CarbonylContact O-C 3.6Å; K886-Q889 PolarHBondContact O-N 2.91Å; D887-Q889 VanDerWaalsContact C-N 3.31Å; D887-Q889 PolarHBondContact O-N 3.28Å; Q889-K892 WeakPolarHBondContact O-CB 3.46Å; Q889-K892 PolarHBondContact O-N 2.97Å; Q889-L893 VanDerWaalsContact O-CB 3.26Å; Q889-L893 WeakPolarHBondContact O-CB 3.47Å; Q889-L893 PolarHBondContact O-N 3.33Å; Q889-L917 HydrophobicContact CB-CD1 3.44Å; Q889-L917 VanDerWaalsContact CB-CD1 3.44Å; Q889-L917 HydrophobicContact CG-CD1 4.46Å; Q889-M920 HydrophobicContact CG-SD 4.24Å |
| 890 | L | 88 | Confident | 85.9 | Confident | 88 Ų | 88 | 88.3 Ų | 88.3 | 46% | 0.461 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.3 | -44 | 173.8 | -174.8 | 63.4 | 0 | 0 | 0 | 111.1 | K886 D887 K892 L893 Y894 L917 | K886-L890 VanDerWaalsContact O-CB 3.32Å; K886-L890 WeakPolarHBondContact O-CB 3.42Å; K886-L890 PolarHBondContact O-N 3.37Å; D887-L890 WeakPolarHBondContact O-CB 3.28Å; D887-L890 PolarHBondContact O-N 3.25Å; L890-K892 PolarHBondContact O-N 3.29Å; L890-L893 WeakPolarHBondContact O-CB 3.37Å; L890-L893 PolarHBondContact O-N 2.82Å; L890-Y894 WeakPolarHBondContact O-CB 3.5Å; L890-Y894 PolarHBondContact O-N 2.84Å; L890-L917 HydrophobicContact CB-CD2 3.92Å; L890-L917 HydrophobicContact CD1-CD2 3.71Å; L890-L917 HydrophobicContact CG-CD2 4.38Å |
| 891 | D | 88.5 | Confident | 85.9 | Confident | 72 Ų | 72 | 87.9 Ų | 87.9 | 39% | 0.385 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.9 | -41.3 | 175.5 | 179.7 | 48.4 | 0 | 0 | 0 | 111.9 | D887 K895 | D887-D891 PolarHBondContact O-N 3.41Å; D891-K895 WeakPolarHBondContact O-CB 3.5Å; D891-K895 WeakPolarHBondContact O-CG 3.29Å; D891-K895 PolarHBondContact O-N 3.38Å; D891-K895 VanDerWaalsContact OD1-CE 3.29Å; D891-K895 WeakPolarHBondContact OD1-CE 3.33Å; D891-K895 IonicContact OD1-NZ 2.81Å; D891-K895 PolarHBondContact OD1-NZ 3.25Å; D891-K895 WeakPolarHBondContact OD2-CE 3.48Å; D891-K895 IonicContact OD2-NZ 3.9Å; D891-K895 PolarHBondContact OD2-NZ 2.95Å |
| 892 | K | 87.4 | Confident | 85.6 | Confident | 125 Ų | 125 | 92 Ų | 92 | 54% | 0.543 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 172.5 | -74.3 | 177.6 | -178.5 | -176.9 | 0 | 112.2 | K888 Q889 L890 K895 S896 | K888-K892 WeakPolarHBondContact O-CG 3.31Å; K888-K892 PolarHBondContact O-N 3.25Å; Q889-K892 WeakPolarHBondContact O-CB 3.46Å; Q889-K892 PolarHBondContact O-N 2.97Å; L890-K892 PolarHBondContact O-N 3.29Å; K892-K895 PolarHBondContact O-N 3.03Å; K892-S896 WeakPolarHBondContact O-CB 3.49Å; K892-S896 PolarHBondContact O-N 2.84Å; K892-S896 PolarHBondContact O-OG 3Å |
| 893 | L | 86.7 | Confident | 85.8 | Confident | 24 Ų | 24 | 93.8 Ų | 93.8 | 13% | 0.126 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -63.1 | -51.5 | 179.7 | -165.7 | 151.5 | 0 | 0 | 0 | 109 | Q889 L890 K895 S896 W897 L910 D913 V914 | Q889-L893 VanDerWaalsContact O-CB 3.26Å; Q889-L893 WeakPolarHBondContact O-CB 3.47Å; Q889-L893 PolarHBondContact O-N 3.33Å; L890-L893 WeakPolarHBondContact O-CB 3.37Å; L890-L893 PolarHBondContact O-N 2.82Å; L893-K895 PolarHBondContact O-N 2.87Å; L893-S896 PolarHBondContact O-N 3.17Å; L893-S896 VanDerWaalsContact O-N 3.07Å; L893-S896 PolarHBondContact O-OG 3.47Å; L893-W897 HydrophobicContact CD2-CG 4.4Å; L893-W897 WeakPolarHBondContact O-CB 3.31Å; L893-W897 PolarHBondContact O-N 3.38Å; L893-L910 HydrophobicContact CD2-CD1 3.58Å; L893-D913 HydrophobicContact CD1-CB 3.61Å; L893-D913 HydrophobicContact CG-CB 4.43Å; L893-V914 HydrophobicContact CD2-CG2 4.39Å |
| 894 | Y | 86.3 | Confident | 85.8 | Confident | 165 Ų | 165 | 91.7 Ų | 91.7 | 65% | 0.647 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -50.8 | -51.9 | 173.5 | 176.6 | -100.4 | 0 | 0 | 0 | 112.5 | L890 S896 W897 A898 | L890-Y894 WeakPolarHBondContact O-CB 3.5Å; L890-Y894 PolarHBondContact O-N 2.84Å; Y894-S896 VanDerWaalsContact C-N 3.34Å; Y894-S896 PolarHBondContact O-N 3.37Å; Y894-W897 PolarHBondContact O-N 3.13Å; Y894-A898 WeakPolarHBondContact O-CB 3.47Å; Y894-A898 PolarHBondContact O-N 3.3Å |
| 895 | K | 87.1 | Confident | 85.7 | Confident | 128 Ų | 128 | 93.9 Ų | 93.9 | 56% | 0.557 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.1 | -40.5 | 177.3 | -75 | 169.1 | -179.7 | 163 | 0 | 113 | D891 K892 L893 W897 | D891-K895 WeakPolarHBondContact O-CB 3.5Å; D891-K895 WeakPolarHBondContact O-CG 3.29Å; D891-K895 PolarHBondContact O-N 3.38Å; D891-K895 VanDerWaalsContact OD1-CE 3.29Å; D891-K895 WeakPolarHBondContact OD1-CE 3.33Å; D891-K895 IonicContact OD1-NZ 2.81Å; D891-K895 PolarHBondContact OD1-NZ 3.25Å; D891-K895 WeakPolarHBondContact OD2-CE 3.48Å; D891-K895 IonicContact OD2-NZ 3.9Å; D891-K895 PolarHBondContact OD2-NZ 2.95Å; K892-K895 PolarHBondContact O-N 3.03Å; L893-K895 PolarHBondContact O-N 2.87Å; K895-W897 VanDerWaalsContact C-N 3.3Å; K895-W897 PolarHBondContact O-N 2.99Å |
| 896 | S | 84.7 | Confident | 85.7 | Confident | 59 Ų | 59 | 90 Ų | 90 | 41% | 0.413 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -70.4 | -26.8 | 178.9 | 75.9 | 0 | 0 | 0 | 0 | 113.2 | K892 L893 Y894 | K892-S896 WeakPolarHBondContact O-CB 3.49Å; K892-S896 PolarHBondContact O-N 2.84Å; K892-S896 PolarHBondContact O-OG 3Å; L893-S896 PolarHBondContact O-N 3.17Å; L893-S896 VanDerWaalsContact O-N 3.07Å; L893-S896 PolarHBondContact O-OG 3.47Å; Y894-S896 VanDerWaalsContact C-N 3.34Å; Y894-S896 PolarHBondContact O-N 3.37Å |
| 897 | W | 82.3 | Confident | 85.6 | Confident | 34 Ų | 34 | 93.6 Ų | 93.6 | 13% | 0.129 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -97.1 | -21.8 | -176.1 | -78.7 | 99.1 | 0 | 0 | 0 | 113.6 | L893 Y894 K895 N899 K900 N906 L909 L910 | L893-W897 HydrophobicContact CD2-CG 4.4Å; L893-W897 WeakPolarHBondContact O-CB 3.31Å; L893-W897 PolarHBondContact O-N 3.38Å; Y894-W897 PolarHBondContact O-N 3.13Å; K895-W897 VanDerWaalsContact C-N 3.3Å; K895-W897 PolarHBondContact O-N 2.99Å; W897-N899 PolarHBondContact O-N 3.28Å; W897-K900 HydrophobicContact CD2-CD 3.81Å; W897-K900 HydrophobicContact CE3-CB 4Å; W897-K900 HydrophobicContact CE3-CD 3.41Å; W897-K900 VanDerWaalsContact CE3-CD 3.41Å; W897-K900 HydrophobicContact CE3-CG 4.29Å; W897-K900 HydrophobicContact CH2-CD 3.8Å; W897-K900 HydrophobicContact CZ2-CD 4.24Å; W897-K900 VanDerWaalsContact CZ2-NZ 3.33Å; W897-K900 HydrophobicContact CZ3-CB 4.21Å; W897-K900 HydrophobicContact CZ3-CD 3.39Å; W897-K900 HydrophobicContact CZ3-CG 4.46Å; W897-K900 PolarHBondContact O-N 3.28Å; W897-K900 VanDerWaalsContact O-N 3.09Å; W897-N906 HydrophobicContact CH2-CB 4.32Å; W897-N906 WeakPolarHBondContact CH2-O 3.3Å; W897-N906 HydrophobicContact CZ3-CB 3.84Å; W897-N906 WeakPolarHBondContact CZ3-O 3.47Å; W897-L909 HydrophobicContact CH2-CB 3.81Å; W897-L909 HydrophobicContact CZ2-CB 3.97Å; W897-L910 HydrophobicContact CD2-CB 4.15Å; W897-L910 HydrophobicContact CD2-CD1 3.75Å; W897-L910 HydrophobicContact CD2-CG 4.45Å; W897-L910 HydrophobicContact CE3-CB 4.16Å; W897-L910 HydrophobicContact CE3-CD1 4.39Å; W897-L910 HydrophobicContact CG-CD1 3.83Å; W897-L910 HydrophobicContact CH2-CB 3.84Å; W897-L910 VanDerWaalsContact CZ2-CA 3.47Å; W897-L910 HydrophobicContact CZ2-CB 3.75Å; W897-L910 HydrophobicContact CZ2-CD1 4.45Å; W897-L910 VanDerWaalsContact CZ2-N 3.31Å; W897-L910 HydrophobicContact CZ3-CB 4.01Å |
| 898 | A | 82.9 | Confident | 85.5 | Confident | 62 Ų | 62 | 96 Ų | 96 | 51% | 0.512 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -27.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y894 | Y894-A898 WeakPolarHBondContact O-CB 3.47Å; Y894-A898 PolarHBondContact O-N 3.3Å |
| 899 | N | 81.4 | Confident | 85.4 | Confident | 157 Ų | 157 | 93 Ų | 93 | 84% | 0.84 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.2 | 5.2 | -177.3 | -63.5 | -23.2 | 0 | 0 | 0 | 114.4 | W897 | W897-N899 PolarHBondContact O-N 3.28Š|
| 900 | K | 83.2 | Confident | 85.3 | Confident | 93 Ų | 93 | 91.2 Ų | 91.2 | 40% | 0.404 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -91.1 | 145.9 | -178.4 | -72.9 | -178.7 | 178.5 | 179.4 | 0 | 111.6 | W897 | W897-K900 HydrophobicContact CD2-CD 3.81Å; W897-K900 HydrophobicContact CE3-CB 4Å; W897-K900 HydrophobicContact CE3-CD 3.41Å; W897-K900 VanDerWaalsContact CE3-CD 3.41Å; W897-K900 HydrophobicContact CE3-CG 4.29Å; W897-K900 HydrophobicContact CH2-CD 3.8Å; W897-K900 HydrophobicContact CZ2-CD 4.24Å; W897-K900 VanDerWaalsContact CZ2-NZ 3.33Å; W897-K900 HydrophobicContact CZ3-CB 4.21Å; W897-K900 HydrophobicContact CZ3-CD 3.39Å; W897-K900 HydrophobicContact CZ3-CG 4.46Å; W897-K900 PolarHBondContact O-N 3.28Å; W897-K900 VanDerWaalsContact O-N 3.09Å |
| 901 | S | 84.3 | Confident | 85.2 | Confident | 85 Ų | 85 | 91.7 Ų | 91.7 | 59% | 0.594 | 49% | 0.492 | S | S | * | . | trans | -72.3 | 151 | 177.9 | 60.1 | 0 | 0 | 0 | 0 | 112.6 | S903 N906 | S901-S903 PolarHBondContact O-N 3.43Å; S901-N906 PolarHBondContact O-ND2 3.2Å; S901-N906 PolarHBondContact OG-ND2 2.9Å | ||
| 902 | S | 80.8 | Confident | 85.2 | Confident | 135 Ų | 135 | 92.4 Ų | 92.4 | 94% | 0.944 | 49% | 0.493 | S | S | * | . | trans | -77.6 | 60.7 | 179.4 | 47.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 903 | S | 87 | Confident | 85.2 | Confident | 47 Ų | 47 | 88.9 Ų | 88.9 | 33% | 0.329 | 48% | 0.481 | S | S | . | . | trans | -94.6 | 157.2 | 172.4 | 76.5 | 0 | 0 | 0 | 0 | 112.3 | S901 D905 N906 F907 | S901-S903 PolarHBondContact O-N 3.43Å; S903-D905 VanDerWaalsContact C-N 3.33Å; S903-D905 PolarHBondContact O-N 3.42Å; S903-N906 WeakPolarHBondContact O-CB 3.49Å; S903-N906 PolarHBondContact O-N 3.24Å; S903-N906 WeakPolarHBondContact OG-CB 3.32Å; S903-N906 PolarHBondContact OG-N 3.02Å; S903-N906 PolarHBondContact OG-ND2 3.36Å; S903-F907 PolarHBondContact O-N 2.93Å | ||
| 904 | A | 85 | Confident | 85.2 | Confident | 86 Ų | 86 | 90.5 Ų | 90.5 | 71% | 0.711 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.5 | -39.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F907 K908 | A904-F907 WeakPolarHBondContact O-CB 3.41Å; A904-F907 PolarHBondContact O-N 3.27Å; A904-K908 PolarHBondContact O-N 3.04Å |
| 905 | D | 86.6 | Confident | 85.1 | Confident | 123 Ų | 123 | 88.7 Ų | 88.7 | 66% | 0.658 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.5 | -41.2 | 177.7 | -63.5 | -37.5 | 0 | 0 | 0 | 111.9 | S903 F907 K908 L909 | S903-D905 VanDerWaalsContact C-N 3.33Å; S903-D905 PolarHBondContact O-N 3.42Å; D905-F907 VanDerWaalsContact C-N 3.34Å; D905-K908 PolarHBondContact O-N 3.06Å; D905-L909 PolarHBondContact O-N 2.84Å; D905-L909 VanDerWaalsContact O-N 3.13Å |
| 906 | N | 85.4 | Confident | 85 | Confident | 34 Ų | 34 | 88.7 Ų | 88.7 | 18% | 0.182 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -62.5 | -41.9 | 174.4 | -84.1 | -14 | 0 | 0 | 0 | 110.9 | W897 S901 S903 K908 L909 L910 | W897-N906 HydrophobicContact CH2-CB 4.32Å; W897-N906 WeakPolarHBondContact CH2-O 3.3Å; W897-N906 HydrophobicContact CZ3-CB 3.84Å; W897-N906 WeakPolarHBondContact CZ3-O 3.47Å; S901-N906 PolarHBondContact O-ND2 3.2Å; S901-N906 PolarHBondContact OG-ND2 2.9Å; S903-N906 WeakPolarHBondContact O-CB 3.49Å; S903-N906 PolarHBondContact O-N 3.24Å; S903-N906 WeakPolarHBondContact OG-CB 3.32Å; S903-N906 PolarHBondContact OG-N 3.02Å; S903-N906 PolarHBondContact OG-ND2 3.36Å; N906-K908 VanDerWaalsContact C-N 3.34Å; N906-K908 PolarHBondContact O-N 3.29Å; N906-L909 PolarHBondContact O-N 3.42Å; N906-L910 PolarHBondContact O-N 2.92Å |
| 907 | F | 85.1 | Confident | 85 | Confident | 135 Ų | 135 | 86.9 Ų | 86.9 | 59% | 0.592 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -62.1 | -39.2 | 175.7 | -172.1 | -105 | 0 | 0 | 0 | 112.8 | S903 A904 D905 L910 L911 | S903-F907 PolarHBondContact O-N 2.93Å; A904-F907 WeakPolarHBondContact O-CB 3.41Å; A904-F907 PolarHBondContact O-N 3.27Å; D905-F907 VanDerWaalsContact C-N 3.34Å; F907-L910 WeakPolarHBondContact O-CB 3.49Å; F907-L910 PolarHBondContact O-N 3.2Å; F907-L911 HydrophobicContact CD1-CD1 3.69Å; F907-L911 HydrophobicContact CE1-CD1 3.17Å; F907-L911 HydrophobicContact CE2-CD1 4.41Å; F907-L911 HydrophobicContact CG-CD1 4.5Å; F907-L911 HydrophobicContact CZ-CD1 3.6Å; F907-L911 PolarHBondContact O-N 2.77Å |
| 908 | K | 87.1 | Confident | 84.9 | Confident | 134 Ų | 134 | 89.4 Ų | 89.4 | 58% | 0.583 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.5 | -46.4 | 176.5 | -173.7 | -179 | 176.1 | -175.9 | 0 | 112.3 | A904 D905 N906 L910 L911 E912 | A904-K908 PolarHBondContact O-N 3.04Å; D905-K908 PolarHBondContact O-N 3.06Å; N906-K908 VanDerWaalsContact C-N 3.34Å; N906-K908 PolarHBondContact O-N 3.29Å; K908-L910 VanDerWaalsContact C-N 3.34Å; K908-L910 PolarHBondContact O-N 2.87Å; K908-L911 WeakPolarHBondContact O-CB 3.26Å; K908-L911 PolarHBondContact O-N 3.26Å; K908-E912 PolarHBondContact O-N 2.82Å |
| 909 | L | 86.5 | Confident | 84.8 | Confident | 80 Ų | 80 | 90.8 Ų | 90.8 | 42% | 0.419 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.7 | -40.2 | 176.7 | -72.6 | 172.3 | 0 | 0 | 0 | 112.1 | W897 D905 N906 L911 E912 D913 | W897-L909 HydrophobicContact CH2-CB 3.81Å; W897-L909 HydrophobicContact CZ2-CB 3.97Å; D905-L909 PolarHBondContact O-N 2.84Å; D905-L909 VanDerWaalsContact O-N 3.13Å; N906-L909 PolarHBondContact O-N 3.42Å; L909-L911 VanDerWaalsContact C-N 3.32Å; L909-L911 PolarHBondContact O-N 3.33Å; L909-E912 PolarHBondContact O-N 2.97Å; L909-D913 PolarHBondContact O-N 2.81Å |
| 910 | L | 85.4 | Confident | 84.7 | Confident | 50 Ų | 50 | 85.4 Ų | 85.4 | 26% | 0.262 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59.1 | -45.5 | 174 | 175.1 | 65.4 | 0 | 0 | 0 | 110.9 | L893 W897 N906 F907 K908 E912 D913 V914 | L893-L910 HydrophobicContact CD2-CD1 3.58Å; W897-L910 HydrophobicContact CD2-CB 4.15Å; W897-L910 HydrophobicContact CD2-CD1 3.75Å; W897-L910 HydrophobicContact CD2-CG 4.45Å; W897-L910 HydrophobicContact CE3-CB 4.16Å; W897-L910 HydrophobicContact CE3-CD1 4.39Å; W897-L910 HydrophobicContact CG-CD1 3.83Å; W897-L910 HydrophobicContact CH2-CB 3.84Å; W897-L910 VanDerWaalsContact CZ2-CA 3.47Å; W897-L910 HydrophobicContact CZ2-CB 3.75Å; W897-L910 HydrophobicContact CZ2-CD1 4.45Å; W897-L910 VanDerWaalsContact CZ2-N 3.31Å; W897-L910 HydrophobicContact CZ3-CB 4.01Å; N906-L910 PolarHBondContact O-N 2.92Å; F907-L910 WeakPolarHBondContact O-CB 3.49Å; F907-L910 PolarHBondContact O-N 3.2Å; K908-L910 VanDerWaalsContact C-N 3.34Å; K908-L910 PolarHBondContact O-N 2.87Å; L910-E912 VanDerWaalsContact C-N 3.32Å; L910-E912 PolarHBondContact O-N 3.41Å; L910-D913 PolarHBondContact O-N 3.08Å; L910-V914 HydrophobicContact CD1-CG2 4.09Å; L910-V914 HydrophobicContact CG-CG2 4.37Å; L910-V914 WeakPolarHBondContact O-CB 3.16Å; L910-V914 VanDerWaalsContact O-CG2 3.28Å; L910-V914 WeakPolarHBondContact O-CG2 2.9Å; L910-V914 PolarHBondContact O-N 3.33Å |
| 911 | L | 86 | Confident | 84.4 | Confident | 98 Ų | 98 | 85.4 Ų | 85.4 | 51% | 0.513 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59.6 | -42.4 | 176.8 | -115.8 | 129.9 | 0 | 0 | 0 | 111.9 | F907 K908 L909 H915 | F907-L911 HydrophobicContact CD1-CD1 3.69Å; F907-L911 HydrophobicContact CE1-CD1 3.17Å; F907-L911 HydrophobicContact CE2-CD1 4.41Å; F907-L911 HydrophobicContact CG-CD1 4.5Å; F907-L911 HydrophobicContact CZ-CD1 3.6Å; F907-L911 PolarHBondContact O-N 2.77Å; K908-L911 WeakPolarHBondContact O-CB 3.26Å; K908-L911 PolarHBondContact O-N 3.26Å; L909-L911 VanDerWaalsContact C-N 3.32Å; L909-L911 PolarHBondContact O-N 3.33Å; L911-H915 WeakPolarHBondContact O-CB 3.49Å; L911-H915 PolarHBondContact O-N 2.82Å |
| 912 | E | 87.6 | Confident | 83.9 | Confident | 86 Ų | 86 | 81.5 Ų | 81.5 | 40% | 0.402 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64 | -42.5 | 175.6 | -71.8 | 178 | -169 | 0 | 0 | 112.3 | K908 L909 L910 H915 K916 | K908-E912 PolarHBondContact O-N 2.82Å; L909-E912 PolarHBondContact O-N 2.97Å; L910-E912 VanDerWaalsContact C-N 3.32Å; L910-E912 PolarHBondContact O-N 3.41Å; E912-H915 PolarHBondContact O-N 2.92Å; E912-K916 VanDerWaalsContact O-CG 3.32Å; E912-K916 WeakPolarHBondContact O-CG 3.33Å; E912-K916 PolarHBondContact O-N 3.24Å |
| 913 | D | 87.3 | Confident | 83.3 | Confident | 52 Ų | 52 | 78.3 Ų | 78.3 | 28% | 0.278 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -68.8 | -40.9 | 178.5 | -72.8 | -20.9 | 0 | 0 | 0 | 112 | L893 L909 L910 H915 K916 L917 | L893-D913 HydrophobicContact CD1-CB 3.61Å; L893-D913 HydrophobicContact CG-CB 4.43Å; L909-D913 PolarHBondContact O-N 2.81Å; L910-D913 PolarHBondContact O-N 3.08Å; D913-H915 VanDerWaalsContact C-N 3.32Å; D913-K916 PolarHBondContact O-N 2.93Å; D913-K916 IonicContact OD1-NZ 3.04Å; D913-L917 WeakPolarHBondContact O-CB 3.33Å; D913-L917 PolarHBondContact O-N 3.38Å |
| 914 | V | 86.3 | Confident | 82.3 | Confident | 58 Ų | 58 | 77 Ų | 77 | 35% | 0.352 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.8 | -41.9 | 171.8 | 172 | 0 | 0 | 0 | 0 | 110.1 | L893 L910 K916 L917 V918 | L893-V914 HydrophobicContact CD2-CG2 4.39Å; L910-V914 HydrophobicContact CD1-CG2 4.09Å; L910-V914 HydrophobicContact CG-CG2 4.37Å; L910-V914 WeakPolarHBondContact O-CB 3.16Å; L910-V914 VanDerWaalsContact O-CG2 3.28Å; L910-V914 WeakPolarHBondContact O-CG2 2.9Å; L910-V914 PolarHBondContact O-N 3.33Å; V914-K916 VanDerWaalsContact C-N 3.35Å; V914-K916 PolarHBondContact O-N 3.18Å; V914-L917 WeakPolarHBondContact O-CB 3.39Å; V914-L917 PolarHBondContact O-N 2.73Å; V914-V918 HydrophobicContact CG1-CG2 4.22Å; V914-V918 WeakPolarHBondContact O-CB 3.44Å; V914-V918 VanDerWaalsContact O-CG2 3.26Å; V914-V918 WeakPolarHBondContact O-CG2 3.34Å; V914-V918 PolarHBondContact O-N 3.38Å |
| 915 | H | 85.6 | Confident | 81.2 | Confident | 126 Ų | 126 | 75.4 Ų | 75.4 | 58% | 0.583 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63.8 | -39.4 | 176.8 | -169.1 | -91.7 | 0 | 0 | 0 | 111.9 | L911 E912 D913 N919 | L911-H915 WeakPolarHBondContact O-CB 3.49Å; L911-H915 PolarHBondContact O-N 2.82Å; E912-H915 PolarHBondContact O-N 2.92Å; D913-H915 VanDerWaalsContact C-N 3.32Å; H915-N919 PolarHBondContact CE1-ND2 3.15Å; H915-N919 PolarHBondContact ND1-ND2 3.25Å; H915-N919 VanDerWaalsContact ND1-ND2 3.19Å; H915-N919 PolarHBondContact NE2-ND2 3.33Å; H915-N919 WeakPolarHBondContact O-CB 3.34Å; H915-N919 PolarHBondContact O-N 2.9Å; H915-N919 VanDerWaalsContact O-N 3.07Å; H915-N919 PolarHBondContact O-ND2 2.87Å |
| 916 | K | 84.5 | Confident | 79.7 | Confident | 129 Ų | 129 | 70.8 Ų | 70.8 | 56% | 0.561 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64.1 | -41 | 171.7 | -73.2 | 169.8 | -168.8 | 160.4 | 0 | 111.9 | E912 D913 V914 N919 M920 | E912-K916 VanDerWaalsContact O-CG 3.32Å; E912-K916 WeakPolarHBondContact O-CG 3.33Å; E912-K916 PolarHBondContact O-N 3.24Å; D913-K916 PolarHBondContact O-N 2.93Å; D913-K916 IonicContact OD1-NZ 3.04Å; V914-K916 VanDerWaalsContact C-N 3.35Å; V914-K916 PolarHBondContact O-N 3.18Å; K916-N919 CarbonylContact O-C 3.57Å; K916-M920 PolarHBondContact O-N 3.19Å |
| 917 | L | 84.1 | Confident | 78.1 | Confident | 21 Ų | 21 | 69.5 Ų | 69.5 | 11% | 0.11 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64 | -47.1 | 177.8 | -179.7 | 66.9 | 0 | 0 | 0 | 111.8 | K886 Q889 L890 D913 V914 N919 M920 | K886-L917 HydrophobicContact CB-CD1 4.24Å; K886-L917 WeakPolarHBondContact CE-O 3.5Å; K886-L917 HydrophobicContact CG-CD1 4.31Å; Q889-L917 HydrophobicContact CB-CD1 3.44Å; Q889-L917 VanDerWaalsContact CB-CD1 3.44Å; Q889-L917 HydrophobicContact CG-CD1 4.46Å; L890-L917 HydrophobicContact CB-CD2 3.92Å; L890-L917 HydrophobicContact CD1-CD2 3.71Å; L890-L917 HydrophobicContact CG-CD2 4.38Å; D913-L917 WeakPolarHBondContact O-CB 3.33Å; D913-L917 PolarHBondContact O-N 3.38Å; V914-L917 WeakPolarHBondContact O-CB 3.39Å; V914-L917 PolarHBondContact O-N 2.73Å; L917-N919 VanDerWaalsContact C-N 3.34Å; L917-N919 PolarHBondContact O-N 2.79Å; L917-M920 VanDerWaalsContact O-CB 3.3Å; L917-M920 WeakPolarHBondContact O-CB 3.45Å; L917-M920 PolarHBondContact O-N 3.43Å |
| 918 | V | 81.4 | Confident | 76.4 | Confident | 87 Ų | 87 | 65.4 Ų | 65.4 | 53% | 0.527 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.4 | -45.2 | 178.3 | 170.3 | 0 | 0 | 0 | 0 | 110.4 | K886 V914 M920 | K886-V918 PolarHBondContact NZ-O 3.39Å; V914-V918 HydrophobicContact CG1-CG2 4.22Å; V914-V918 WeakPolarHBondContact O-CB 3.44Å; V914-V918 VanDerWaalsContact O-CG2 3.26Å; V914-V918 WeakPolarHBondContact O-CG2 3.34Å; V914-V918 PolarHBondContact O-N 3.38Å; V918-M920 VanDerWaalsContact C-N 3.3Å; V918-M920 PolarHBondContact O-N 3.07Å |
| 919 | N | 80.9 | Confident | 74.4 | Confident | 90 Ų | 90 | 62.8 Ų | 62.8 | 48% | 0.481 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 10.1 | -178.7 | -66.5 | -55.9 | 0 | 0 | 0 | 114.5 | H915 K916 L917 K921 | H915-N919 PolarHBondContact CE1-ND2 3.15Å; H915-N919 PolarHBondContact ND1-ND2 3.25Å; H915-N919 VanDerWaalsContact ND1-ND2 3.19Å; H915-N919 PolarHBondContact NE2-ND2 3.33Å; H915-N919 WeakPolarHBondContact O-CB 3.34Å; H915-N919 PolarHBondContact O-N 2.9Å; H915-N919 VanDerWaalsContact O-N 3.07Å; H915-N919 PolarHBondContact O-ND2 2.87Å; K916-N919 CarbonylContact O-C 3.57Å; L917-N919 VanDerWaalsContact C-N 3.34Å; L917-N919 PolarHBondContact O-N 2.79Å; N919-K921 PolarHBondContact O-N 3.35Å |
| 920 | M | 79 | Confident | 72.5 | Confident | 44 Ų | 44 | 60.4 Ų | 60.4 | 22% | 0.217 | 32% | 0.323 | C | S | . | . | trans | -63.6 | 132.7 | 178.3 | -170.5 | 175 | 70.1 | 0 | 0 | 110.4 | L882 R885 K886 Q889 K916 L917 V918 | L882-M920 HydrophobicContact CD1-CE 3.97Å; L882-M920 VanDerWaalsContact CD1-O 3.3Å; L882-M920 WeakPolarHBondContact CD1-O 3.4Å; R885-M920 HydrophobicContact CB-CE 3.55Å; K886-M920 HydrophobicContact CB-CE 4.22Å; K886-M920 HydrophobicContact CG-CE 3.47Å; K886-M920 VanDerWaalsContact CG-CE 3.47Å; Q889-M920 HydrophobicContact CG-SD 4.24Å; K916-M920 PolarHBondContact O-N 3.19Å; L917-M920 VanDerWaalsContact O-CB 3.3Å; L917-M920 WeakPolarHBondContact O-CB 3.45Å; L917-M920 PolarHBondContact O-N 3.43Å; V918-M920 VanDerWaalsContact C-N 3.3Å; V918-M920 PolarHBondContact O-N 3.07Å | ||
| 921 | K | 77 | Confident | 70.5 | Confident | 94 Ų | 94 | 62.2 Ų | 62.2 | 41% | 0.409 | 33% | 0.333 | S | S | . | . | trans | -117.1 | 158.8 | 176.5 | -61.8 | -166.5 | 172.2 | -160.3 | 0 | 111.2 | T746 E753 N919 | T746-K921 HydrophobicContact CG2-CB 4.06Å; E753-K921 IonicContact OE2-NZ 3.75Å; E753-K921 PolarHBondContact OE2-NZ 3.47Å; N919-K921 PolarHBondContact O-N 3.35Å | ||
| 922 | I | 73.7 | Confident | 68.3 | Low | 2 Ų | 2 | 65.9 Ų | 65.9 | 1% | 0.01 | 35% | 0.347 | C | S | . | . | trans | -107.6 | 146.4 | 175.1 | -66.8 | -171.2 | 0 | 0 | 0 | 109.9 | T746 F747 D881 L882 | T746-I922 CarbonylContact C-O 3.05Å; T746-I922 WeakPolarHBondContact CA-O 3.48Å; F747-I922 PolarHBondContact N-O 2.97Å; D881-I922 HydrophobicContact CB-CD1 3.89Å; L882-I922 HydrophobicContact CB-CD1 3.64Å; L882-I922 HydrophobicContact CB-CG1 4.11Å; L882-I922 HydrophobicContact CD1-CD1 4.09Å; L882-I922 HydrophobicContact CD1-CG1 3.67Å; L882-I922 HydrophobicContact CG-CD1 4.47Å; L882-I922 HydrophobicContact CG-CG1 4.47Å | ||
| 923 | P | 68.7 | Low | 66 | Low | 69 Ų | 69 | 70.5 Ų | 70.5 | 45% | 0.448 | 37% | 0.366 | S | S | . | . | B | Isolated β-bridge | trans | -58.9 | 147.6 | 171 | -22.6 | 32.9 | 0 | 0 | 0 | 113.6 | ||
| 924 | S | 64.6 | Low | 63.5 | Low | 18 Ų | 18 | 76 Ų | 76 | 13% | 0.126 | 39% | 0.388 | C | S | . | . | trans | -64.6 | 145.9 | 167.6 | 61.9 | 0 | 0 | 0 | 0 | 110.9 | R696 V745 | R696-S924 WeakPolarHBondContact O-CB 3.4Å; V745-S924 WeakPolarHBondContact O-CB 3.33Å; V745-S924 PolarHBondContact O-N 2.77Å; V745-S924 PolarHBondContact O-OG 2.95Å; V745-S924 VanDerWaalsContact O-OG 3.09Å | ||
| 925 | T | 62.4 | Low | 60.9 | Low | 54 Ų | 54 | 83 Ų | 83 | 33% | 0.331 | 43% | 0.431 | S | S | . | . | trans | -156.6 | 161.4 | -177 | 149.3 | 0 | 0 | 0 | 0 | 108.7 | R878 | R878-T925 PolarHBondContact NH1-OG1 3.48Å; R878-T925 PolarHBondContact NH2-OG1 3.17Å | ||
| 926 | N | 54.7 | Low | 59.7 | Low | 25 Ų | 25 | 80.9 Ų | 80.9 | 13% | 0.134 | 42% | 0.424 | C | S | . | . | B | Isolated β-bridge | trans | -72.9 | 136.5 | -164.5 | -157.4 | -3.8 | 0 | 0 | 0 | 116.9 | D700 S928 T929 T930 | D700-N926 WeakPolarHBondContact CB-ND2 3.45Å; D700-N926 WeakPolarHBondContact CB-OD1 3.21Å; D700-N926 PolarHBondContact N-OD1 2.86Å; D700-N926 PolarHBondContact OD2-ND2 3.34Å; N926-S928 PolarHBondContact O-N 3.09Å; N926-T929 HydrophobicContact CB-CG2 4.23Å; N926-T929 PolarHBondContact O-OG1 2.93Å; N926-T929 VanDerWaalsContact O-OG1 3.05Å; N926-T930 PolarHBondContact O-OG1 2.87Å |
| 927 | L | 53 | Low | 58.4 | Low | 7 Ų | 7 | 78.4 Ų | 78.4 | 4% | 0.037 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -39.6 | 178.6 | -103.8 | 130 | 0 | 0 | 0 | 113.8 | A692 L697 D698 V699 K870 T874 | A692-L927 HydrophobicContact CB-CD1 3.43Å; A692-L927 VanDerWaalsContact CB-CD1 3.43Å; L697-L927 HydrophobicContact CB-CD1 4.3Å; D698-L927 WeakPolarHBondContact O-CD1 3.5Å; D698-L927 PolarHBondContact O-N 2.78Å; D698-L927 VanDerWaalsContact O-N 3.15Å; V699-L927 HydrophobicContact CG2-CD1 4.24Å; K870-L927 HydrophobicContact CB-CD2 4.02Å; T874-L927 HydrophobicContact CG2-CG 4.39Å; T874-L927 WeakPolarHBondContact OG1-CD2 3.45Å |
| 928 | S | 49.7 | Very low | 57 | Low | 50 Ų | 50 | 81.6 Ų | 81.6 | 35% | 0.35 | 43% | 0.433 | S | S | . | . | G | 310 helix | trans | -73.8 | -36.1 | -177 | 49.5 | 0 | 0 | 0 | 0 | 113.4 | D700 N926 T930 | D700-S928 WeakPolarHBondContact O-CB 3.29Å; D700-S928 PolarHBondContact O-OG 3.03Å; D700-S928 VanDerWaalsContact O-OG 3.07Å; N926-S928 PolarHBondContact O-N 3.09Å; S928-T930 PolarHBondContact O-N 2.69Å |
| 929 | T | 44.8 | Very low | 55.5 | Low | 78 Ų | 78 | 81.2 Ų | 81.2 | 48% | 0.479 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -70.8 | -14.4 | -175.1 | 55.9 | 0 | 0 | 0 | 0 | 115 | N926 | N926-T929 HydrophobicContact CB-CG2 4.23Å; N926-T929 PolarHBondContact O-OG1 2.93Å; N926-T929 VanDerWaalsContact O-OG1 3.05Å |
| 930 | T | 45.9 | Very low | 54 | Low | 30 Ų | 30 | 80.7 Ų | 80.7 | 18% | 0.184 | 42% | 0.424 | C | S | . | . | G | 310 helix | trans | -87.7 | -22 | -176.2 | -4.4 | 0 | 0 | 0 | 0 | 113.5 | Q877 N926 S928 | Q877-T930 VanDerWaalsContact OE1-CG2 3.25Å; N926-T930 PolarHBondContact O-OG1 2.87Å; S928-T930 PolarHBondContact O-N 2.69Å |
| 931 | L | 43.2 | Very low | 52.3 | Low | 88 Ų | 88 | 83.1 Ų | 83.1 | 46% | 0.461 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -31.6 | -177.8 | -83.2 | 156.7 | 0 | 0 | 0 | 113.3 | L873 K933 | L873-L931 HydrophobicContact CD2-CD2 4.14Å; L931-K933 VanDerWaalsContact C-N 3.27Å; L931-K933 PolarHBondContact O-N 3.4Å |
| 932 | E | 41.1 | Very low | 50.5 | Low | 175 Ų | 175 | 82.4 Ų | 82.4 | 82% | 0.818 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -11 | -176.5 | -74.2 | -171 | 158.6 | 0 | 0 | 115 | ||
| 933 | K | 38.3 | Very low | 48.7 | Very low | 184 Ų | 184 | 88.5 Ų | 88.5 | 80% | 0.8 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.5 | 2.6 | -169.5 | -81.6 | -173.3 | 176.2 | 178.1 | 0 | 117 | L931 | L931-K933 VanDerWaalsContact C-N 3.27Å; L931-K933 PolarHBondContact O-N 3.4Å |
| 934 | K | 33.9 | Very low | 47.1 | Very low | 167 Ų | 167 | 90.2 Ų | 90.2 | 73% | 0.726 | 48% | 0.476 | S | S | * | . | trans | -148.3 | 68.8 | 174.2 | -69.4 | -172.7 | 179.8 | 173.6 | 0 | 111.2 | ||||
| 935 | T | 33.4 | Very low | 45.5 | Very low | 206 Ų | 206 | 96.7 Ų | 96.7 | 100% | 1.264 | 51% | 0.507 | S | S | * | . | trans | -88.8 | 0 | 148.4 | 43.6 | 0 | 0 | 0 | 0 | 109 |
Retrieved 935 of 935 residues in 304.6 ms
(Link to these results)