| 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 | 46.9 | Very low | 38.4 | Very low | 242 Ų | 242 | 157 Ų | 157 | 100% | 1.192 | 85% | 0.852 | S | S | * | * | 0 | 90.9 | 0 | -80.7 | 177.2 | 173.5 | 0 | 0 | 106.3 | |||||
| 2 | E | 37.3 | Very low | 38.6 | Very low | 193 Ų | 193 | 154.6 Ų | 154.6 | 90% | 0.902 | 84% | 0.838 | S | S | * | * | trans | -138.2 | 111.2 | 165.6 | -71.2 | -175.8 | 129 | 0 | 0 | 105.9 | ||||
| 3 | T | 39.5 | Very low | 39 | Very low | 143 Ų | 143 | 157.8 Ų | 157.8 | 88% | 0.877 | 84% | 0.844 | S | S | * | * | trans | -76.2 | 114.9 | 177.9 | 34.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 4 | E | 43.3 | Very low | 39.5 | Very low | 194 Ų | 194 | 155 Ų | 155 | 91% | 0.907 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 122.7 | 169.8 | -67.3 | -165 | 154.9 | 0 | 0 | 109.8 | ||
| 5 | G | 38.7 | Very low | 40.5 | Very low | 68 Ų | 68 | 150.9 Ų | 150.9 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 132.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113 | V7 | G5-V7 PolarHBondContact O-N 3.15Š|
| 6 | Q | 37.1 | Very low | 41.4 | Very low | 194 Ų | 194 | 149.9 Ų | 149.9 | 91% | 0.907 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 117.9 | 163.5 | -163.5 | 166.3 | 18 | 0 | 0 | 108.8 | D8 | Q6-D8 PolarHBondContact O-N 3.18Å; Q6-D8 VanDerWaalsContact O-N 3.09Å |
| 7 | V | 37.3 | Very low | 42.3 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | trans | -75.5 | 99.1 | 175.8 | -158.2 | 0 | 0 | 0 | 0 | 107 | G5 F9 | G5-V7 PolarHBondContact O-N 3.15Å; V7-F9 PolarHBondContact O-N 3.43Å | ||
| 8 | D | 35.1 | Very low | 43.3 | Very low | 147 Ų | 147 | 135.7 Ų | 135.7 | 79% | 0.786 | 73% | 0.725 | S | S | * | * | trans | -69.7 | 105.3 | 175.5 | -142.1 | -5.4 | 0 | 0 | 0 | 107.7 | Q6 S10 | Q6-D8 PolarHBondContact O-N 3.18Å; Q6-D8 VanDerWaalsContact O-N 3.09Å; D8-S10 PolarHBondContact O-N 3.32Å | ||
| 9 | F | 33.9 | Very low | 44.2 | Very low | 188 Ų | 188 | 132.9 Ų | 132.9 | 83% | 0.825 | 71% | 0.706 | S | S | * | * | trans | -70.4 | 88.1 | 171.4 | -89.6 | -89.6 | 0 | 0 | 0 | 107.5 | V7 T11 | V7-F9 PolarHBondContact O-N 3.43Å; F9-T11 PolarHBondContact O-N 3.03Å; F9-T11 VanDerWaalsContact O-N 3.11Å | ||
| 10 | S | 34.2 | Very low | 45.2 | Very low | 104 Ų | 104 | 126.4 Ų | 126.4 | 73% | 0.727 | 67% | 0.671 | S | S | * | * | trans | -48.8 | 114.9 | 170 | 19.9 | 0 | 0 | 0 | 0 | 109.1 | D8 D12 | D8-S10 PolarHBondContact O-N 3.32Å; S10-D12 PolarHBondContact O-N 3.46Å | ||
| 11 | T | 38.8 | Very low | 46 | Very low | 133 Ų | 133 | 124.1 Ų | 124.1 | 82% | 0.816 | 66% | 0.659 | S | S | * | * | trans | -52.2 | 99.9 | 168.1 | -40.5 | 0 | 0 | 0 | 0 | 108.6 | F9 E13 | F9-T11 PolarHBondContact O-N 3.03Å; F9-T11 VanDerWaalsContact O-N 3.11Å; T11-E13 PolarHBondContact O-N 3.5Å | ||
| 12 | D | 40.7 | Very low | 46.5 | Very low | 128 Ų | 128 | 116.3 Ų | 116.3 | 68% | 0.684 | 63% | 0.633 | S | S | * | * | trans | -51.6 | 114.8 | 168.2 | -88.3 | -50.7 | 0 | 0 | 0 | 108.6 | S10 F14 | S10-D12 PolarHBondContact O-N 3.46Å; D12-F14 HydrophobicContact CB-CD2 3.95Å; D12-F14 HydrophobicContact CB-CE2 3.52Å; D12-F14 HydrophobicContact CB-CZ 4.25Å; D12-F14 VanDerWaalsContact O-CD2 3.3Å; D12-F14 WeakPolarHBondContact O-CD2 3.46Å; D12-F14 PolarHBondContact O-N 3.47Å | ||
| 13 | E | 44.1 | Very low | 47.5 | Very low | 196 Ų | 196 | 107.7 Ų | 107.7 | 92% | 0.916 | 59% | 0.594 | S | S | * | * | trans | -64.2 | 79.2 | 172.2 | -78 | -173.2 | 115.4 | 0 | 0 | 109.7 | T11 | T11-E13 PolarHBondContact O-N 3.5Š| ||
| 14 | F | 46.9 | Very low | 48.3 | Very low | 119 Ų | 119 | 105.9 Ų | 105.9 | 52% | 0.522 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -71.6 | 134.2 | 160.4 | -68.5 | -81.5 | 0 | 0 | 0 | 108.3 | D12 E16 | D12-F14 HydrophobicContact CB-CD2 3.95Å; D12-F14 HydrophobicContact CB-CE2 3.52Å; D12-F14 HydrophobicContact CB-CZ 4.25Å; D12-F14 VanDerWaalsContact O-CD2 3.3Å; D12-F14 WeakPolarHBondContact O-CD2 3.46Å; D12-F14 PolarHBondContact O-N 3.47Å; F14-E16 PolarHBondContact O-N 3.03Å |
| 15 | P | 53.2 | Low | 48.8 | Very low | 94 Ų | 94 | 101.5 Ų | 101.5 | 61% | 0.61 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 134.6 | 177.9 | 5.8 | -12.8 | 0 | 0 | 0 | 110.4 | G17 S18 | P15-G17 PolarHBondContact O-N 3.12Å; P15-S18 WeakPolarHBondContact CB-OG 3.46Å; P15-S18 WeakPolarHBondContact CG-OG 3.26Å; P15-S18 WeakPolarHBondContact O-CB 3.38Å; P15-S18 PolarHBondContact O-N 3.24Å; P15-S18 PolarHBondContact O-OG 3.35Å |
| 16 | E | 55.4 | Low | 49.8 | Very low | 134 Ų | 134 | 105 Ų | 105 | 63% | 0.626 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.7 | 131.1 | -171.3 | -170.7 | 170.6 | -170.2 | 0 | 0 | 113.1 | F14 S18 K43 | F14-E16 PolarHBondContact O-N 3.03Å; E16-S18 PolarHBondContact O-N 3.22Å; E16-K43 VanDerWaalsContact CD-NZ 3.27Å; E16-K43 WeakPolarHBondContact OE1-CD 3.49Å; E16-K43 WeakPolarHBondContact OE1-CE 3.47Å; E16-K43 IonicContact OE1-NZ 2.63Å; E16-K43 PolarHBondContact OE1-NZ 3.34Å |
| 17 | G | 57.2 | Low | 50.9 | Low | 1 Ų | 1 | 103 Ų | 103 | 1% | 0.01 | 55% | 0.546 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 2.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115 | P15 I20 N21 D58 T60 | P15-G17 PolarHBondContact O-N 3.12Å; G17-I20 PolarHBondContact O-N 3.5Å; G17-N21 WeakPolarHBondContact O-CB 3.48Å; G17-N21 PolarHBondContact O-N 3.32Å; G17-N21 PolarHBondContact O-ND2 2.57Å; G17-D58 VanDerWaalsContact C-OD2 3.29Å; G17-D58 WeakPolarHBondContact CA-OD1 3.42Å; G17-D58 WeakPolarHBondContact CA-OD2 3.42Å; G17-D58 PolarHBondContact N-OD1 3.08Å; G17-D58 VanDerWaalsContact N-OD1 3.08Å; G17-D58 PolarHBondContact N-OD2 2.81Å; G17-T60 WeakPolarHBondContact CA-OG1 3.34Å |
| 18 | S | 59.2 | Low | 52.7 | Low | 44 Ų | 44 | 99.7 Ų | 99.7 | 31% | 0.308 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.1 | -36.9 | -179.3 | -64.9 | 0 | 0 | 0 | 0 | 112.5 | P15 E16 N21 A22 | P15-S18 WeakPolarHBondContact CB-OG 3.46Å; P15-S18 WeakPolarHBondContact CG-OG 3.26Å; P15-S18 WeakPolarHBondContact O-CB 3.38Å; P15-S18 PolarHBondContact O-N 3.24Å; P15-S18 PolarHBondContact O-OG 3.35Å; E16-S18 PolarHBondContact O-N 3.22Å; S18-N21 PolarHBondContact O-N 2.92Å; S18-A22 WeakPolarHBondContact O-CB 3.49Å; S18-A22 PolarHBondContact O-N 2.83Å |
| 19 | K | 61.8 | Low | 54.7 | Low | 82 Ų | 82 | 97.2 Ų | 97.2 | 36% | 0.357 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -72.5 | -40.9 | 177.9 | -66.2 | -177.4 | -178.8 | 175.5 | 0 | 110.5 | N21 A22 S23 D58 L77 | K19-N21 PolarHBondContact O-N 3.12Å; K19-A22 PolarHBondContact O-N 2.87Å; K19-S23 PolarHBondContact O-N 3Å; K19-S23 PolarHBondContact O-OG 3.42Å; K19-D58 HydrophobicContact CB-CB 4.35Å; K19-D58 PolarHBondContact N-OD2 3.32Å; K19-L77 HydrophobicContact CB-CD2 3.82Å |
| 20 | I | 64.6 | Low | 57 | Low | 3 Ų | 3 | 88.5 Ų | 88.5 | 2% | 0.015 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -65.1 | -36.9 | 173.9 | -71.6 | 168.8 | 0 | 0 | 0 | 112.4 | G17 K24 K31 D58 F75 L77 | G17-I20 PolarHBondContact O-N 3.5Å; I20-K24 PolarHBondContact O-N 3.41Å; I20-K31 PolarHBondContact O-NZ 3.33Å; I20-D58 HydrophobicContact CD1-CB 3.81Å; I20-D58 HydrophobicContact CG1-CB 3.94Å; I20-D58 WeakPolarHBondContact CG1-OD2 3.4Å; I20-D58 PolarHBondContact N-OD2 3.4Å; I20-D58 VanDerWaalsContact N-OD2 3.13Å; I20-F75 HydrophobicContact CD1-CB 4.42Å; I20-F75 HydrophobicContact CG2-CB 3.9Å; I20-L77 HydrophobicContact CD1-CB 4.32Å; I20-L77 HydrophobicContact CG1-CB 3.89Å |
| 21 | N | 60.6 | Low | 59.5 | Low | 79 Ų | 79 | 84.2 Ų | 84.2 | 42% | 0.422 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -76.1 | -35 | 176.7 | -72.9 | -36.2 | 0 | 0 | 0 | 111.6 | G17 S18 K19 K24 | G17-N21 WeakPolarHBondContact O-CB 3.48Å; G17-N21 PolarHBondContact O-N 3.32Å; G17-N21 PolarHBondContact O-ND2 2.57Å; S18-N21 PolarHBondContact O-N 2.92Å; K19-N21 PolarHBondContact O-N 3.12Å; N21-K24 WeakPolarHBondContact O-CB 3.48Å; N21-K24 PolarHBondContact O-N 3.1Å |
| 22 | A | 58 | Low | 61.9 | Low | 78 Ų | 78 | 77.9 Ų | 77.9 | 65% | 0.645 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -64.3 | -41.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | S18 K19 K24 | S18-A22 WeakPolarHBondContact O-CB 3.49Å; S18-A22 PolarHBondContact O-N 2.83Å; K19-A22 PolarHBondContact O-N 2.87Å; A22-K24 PolarHBondContact O-N 3.14Å |
| 23 | S | 58 | Low | 64.2 | Low | 11 Ų | 11 | 74.6 Ų | 74.6 | 8% | 0.077 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 19.2 | 173.9 | 71.9 | 0 | 0 | 0 | 0 | 113.6 | K19 N25 Q26 K31 | K19-S23 PolarHBondContact O-N 3Å; K19-S23 PolarHBondContact O-OG 3.42Å; S23-N25 VanDerWaalsContact C-N 3.25Å; S23-N25 PolarHBondContact O-N 2.85Å; S23-Q26 VanDerWaalsContact O-O 3.08Å; S23-K31 VanDerWaalsContact C-NZ 3.32Å; S23-K31 PolarHBondContact O-NZ 3.37Å; S23-K31 PolarHBondContact OG-NZ 3.4Å |
| 24 | K | 56.8 | Low | 66.5 | Low | 105 Ų | 105 | 65.2 Ų | 65.2 | 46% | 0.457 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -30.4 | -178.7 | -170.5 | 176.9 | 180 | -174.1 | 0 | 112.7 | I20 N21 A22 | I20-K24 PolarHBondContact O-N 3.41Å; N21-K24 WeakPolarHBondContact O-CB 3.48Å; N21-K24 PolarHBondContact O-N 3.1Å; A22-K24 PolarHBondContact O-N 3.14Å |
| 25 | N | 53.8 | Low | 68.5 | Low | 102 Ų | 102 | 59.9 Ų | 59.9 | 55% | 0.545 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -105.8 | -3.5 | -177.4 | -64.1 | -16.1 | 0 | 0 | 0 | 113.6 | S23 | S23-N25 VanDerWaalsContact C-N 3.25Å; S23-N25 PolarHBondContact O-N 2.85Å |
| 26 | Q | 60.4 | Low | 70.2 | Confident | 141 Ų | 141 | 57.3 Ų | 57.3 | 66% | 0.659 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -109.3 | 142.1 | 177.7 | -67.7 | -178.3 | 18.4 | 0 | 0 | 109.3 | S23 D28 | S23-Q26 VanDerWaalsContact O-O 3.08Å; Q26-D28 PolarHBondContact O-N 3.22Å |
| 27 | Q | 58.5 | Low | 71.9 | Confident | 154 Ų | 154 | 51.1 Ų | 51.1 | 72% | 0.72 | 28% | 0.279 | S | S | * | . | trans | -73.1 | 115.5 | 170.3 | -170.1 | 165 | 4.5 | 0 | 0 | 107.3 | A107 | Q27-A107 HydrophobicContact CB-CB 4.26Š| ||
| 28 | D | 74.8 | Confident | 73.4 | Confident | 51 Ų | 51 | 51.6 Ų | 51.6 | 27% | 0.273 | 28% | 0.282 | S | S | . | . | trans | -118.8 | 110.2 | -179.2 | -175.9 | -22.4 | 0 | 0 | 0 | 106.7 | Q26 G30 K31 L77 | Q26-D28 PolarHBondContact O-N 3.22Å; D28-G30 PolarHBondContact O-N 3.37Å; D28-G30 PolarHBondContact OD1-N 3.43Å; D28-K31 HydrophobicContact CB-CB 3.91Å; D28-K31 VanDerWaalsContact O-CB 3.26Å; D28-K31 WeakPolarHBondContact O-CB 3.28Å; D28-K31 PolarHBondContact O-N 2.8Å; D28-L77 VanDerWaalsContact OD2-CD1 3.26Å; D28-L77 WeakPolarHBondContact OD2-CD1 3.35Å | ||
| 29 | D | 78.3 | Confident | 74.8 | Confident | 94 Ų | 94 | 55.7 Ų | 55.7 | 50% | 0.503 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -15.2 | -175.6 | -68.8 | -29 | 0 | 0 | 0 | 112.5 | K31 | D29-K31 VanDerWaalsContact C-N 3.32Š|
| 30 | G | 81.9 | Confident | 75.9 | Confident | 6 Ų | 6 | 58.4 Ų | 58.4 | 6% | 0.062 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -9.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | D28 F78 | D28-G30 PolarHBondContact O-N 3.37Å; D28-G30 PolarHBondContact OD1-N 3.43Å; G30-F78 PolarHBondContact O-N 3.13Å |
| 31 | K | 86.3 | Confident | 77 | Confident | 14 Ų | 14 | 58.6 Ų | 58.6 | 6% | 0.061 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 132.5 | -177.7 | -165.7 | -175.2 | -168.8 | 149.9 | 0 | 111.7 | I20 S23 D28 D29 V76 L77 A105 | I20-K31 PolarHBondContact O-NZ 3.33Å; S23-K31 VanDerWaalsContact C-NZ 3.32Å; S23-K31 PolarHBondContact O-NZ 3.37Å; S23-K31 PolarHBondContact OG-NZ 3.4Å; D28-K31 HydrophobicContact CB-CB 3.91Å; D28-K31 VanDerWaalsContact O-CB 3.26Å; D28-K31 WeakPolarHBondContact O-CB 3.28Å; D28-K31 PolarHBondContact O-N 2.8Å; D29-K31 VanDerWaalsContact C-N 3.32Å; K31-V76 CarbonylContact C-O 3.55Å; K31-V76 WeakPolarHBondContact CA-O 3.29Å; K31-L77 HydrophobicContact CB-CD1 4.08Å; K31-A105 HydrophobicContact CB-CB 3.84Å; K31-A105 HydrophobicContact CD-CB 3.81Å; K31-A105 HydrophobicContact CG-CB 3.52Å; K31-A105 WeakPolarHBondContact O-CB 3.5Å; K31-A105 PolarHBondContact O-N 3Å |
| 32 | M | 88.9 | Confident | 78.2 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 139.5 | 179.9 | -170.5 | 172.6 | -86.8 | 0 | 0 | 111.2 | I34 F75 V76 F78 V84 V87 L88 P102 K103 | M32-I34 HydrophobicContact CB-CD1 4.41Å; M32-I34 HydrophobicContact CG-CD1 3.64Å; M32-I34 HydrophobicContact SD-CD1 3.54Å; M32-I34 VanDerWaalsContact SD-CD1 3.54Å; M32-F75 CarbonylContact O-C 3.53Å; M32-F75 VanDerWaalsContact O-CA 3.3Å; M32-F75 WeakPolarHBondContact O-CA 3.48Å; M32-V76 PolarHBondContact N-O 3.05Å; M32-V76 PolarHBondContact O-N 3.14Å; M32-F78 HydrophobicContact CB-CE2 4.36Å; M32-F78 HydrophobicContact SD-CE2 4.29Å; M32-V84 HydrophobicContact CE-CB 3.85Å; M32-V84 HydrophobicContact CE-CG1 3.35Å; M32-V84 HydrophobicContact CE-CG2 4.22Å; M32-V84 WeakPolarHBondContact CE-O 3.17Å; M32-V87 HydrophobicContact CE-CB 3.72Å; M32-V87 HydrophobicContact CE-CG1 3.75Å; M32-V87 HydrophobicContact CE-CG2 4.43Å; M32-V87 HydrophobicContact SD-CB 4.08Å; M32-V87 HydrophobicContact SD-CG1 3.58Å; M32-V87 VanDerWaalsContact SD-CG1 3.58Å; M32-V87 HydrophobicContact SD-CG2 4.46Å; M32-L88 HydrophobicContact CE-CD1 4.44Å; M32-L88 HydrophobicContact CE-CD2 4.29Å; M32-L88 HydrophobicContact CE-CG 3.95Å; M32-P102 HydrophobicContact CE-CB 4.32Å; M32-P102 HydrophobicContact CG-CB 4.34Å; M32-P102 HydrophobicContact SD-CB 3.47Å; M32-P102 WeakPolarHBondContact SD-CB 3.16Å; M32-K103 VanDerWaalsContact CG-O 3.24Å; M32-K103 WeakPolarHBondContact CG-O 3.46Å |
| 33 | F | 90.4 | Very high | 79.6 | Confident | 58 Ų | 58 | 56.4 Ų | 56.4 | 25% | 0.254 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 130.9 | 167.1 | 169.2 | -91.4 | 0 | 0 | 0 | 108.6 | F73 F75 P102 K103 | F33-F73 HydrophobicContact CD2-CD2 4.36Å; F33-F73 HydrophobicContact CE2-CB 3.81Å; F33-F73 AromaticContact CE2-CD2 3.53Å; F33-F73 HydrophobicContact CE2-CD2 3.53Å; F33-F73 HydrophobicContact CE2-CE2 4.34Å; F33-F73 AromaticContact CE2-CG 3.89Å; F33-F73 HydrophobicContact CE2-CG 3.89Å; F33-F73 HydrophobicContact CZ-CB 3.79Å; F33-F73 HydrophobicContact CZ-CD2 4.31Å; F33-F73 HydrophobicContact CZ-CG 4.21Å; F33-F75 HydrophobicContact CB-CD1 4.31Å; F33-F75 HydrophobicContact CB-CE1 4.11Å; F33-F75 HydrophobicContact CD2-CD1 4.39Å; F33-F75 AromaticContact CD2-CE1 3.78Å; F33-F75 HydrophobicContact CD2-CE1 3.78Å; F33-F75 AromaticContact CD2-CZ 3.86Å; F33-F75 HydrophobicContact CD2-CZ 3.86Å; F33-F75 HydrophobicContact CG-CE1 4.45Å; F33-P102 CarbonylContact O-C 3.49Å; F33-P102 WeakPolarHBondContact O-CA 3.24Å; F33-K103 HydrophobicContact CD1-CB 4.33Å; F33-K103 PolarHBondContact N-O 3.32Å; F33-K103 PolarHBondContact O-N 2.8Å; F33-K103 VanDerWaalsContact O-O 3.1Å |
| 34 | I | 90.8 | Very high | 81 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 108.3 | 176.2 | -45.6 | -65.8 | 0 | 0 | 0 | 108.3 | M32 L37 L46 L50 F73 G74 V76 I100 P102 | M32-I34 HydrophobicContact CB-CD1 4.41Å; M32-I34 HydrophobicContact CG-CD1 3.64Å; M32-I34 HydrophobicContact SD-CD1 3.54Å; M32-I34 VanDerWaalsContact SD-CD1 3.54Å; I34-L37 HydrophobicContact CB-CD2 4.38Å; I34-L37 HydrophobicContact CG2-CD2 3.55Å; I34-L37 HydrophobicContact CG2-CG 4.13Å; I34-L46 HydrophobicContact CG1-CD1 4.32Å; I34-L46 HydrophobicContact CG2-CD1 4.1Å; I34-L50 HydrophobicContact CD1-CD1 3.96Å; I34-L50 HydrophobicContact CD1-CD2 4.41Å; I34-L50 HydrophobicContact CG1-CD1 4.1Å; I34-F73 CarbonylContact O-C 3.54Å; I34-F73 WeakPolarHBondContact O-CA 3Å; I34-F73 WeakPolarHBondContact O-CB 3.32Å; I34-G74 PolarHBondContact N-O 3.43Å; I34-G74 PolarHBondContact O-N 3.26Å; I34-V76 HydrophobicContact CG1-CG2 3.91Å; I34-I100 HydrophobicContact CG2-CB 4.09Å; I34-I100 HydrophobicContact CG2-CD1 3.99Å; I34-I100 HydrophobicContact CG2-CG1 4.4Å; I34-P102 HydrophobicContact CD1-CB 3.77Å |
| 35 | G | 90.7 | Very high | 82.6 | Confident | 7 Ų | 7 | 57.9 Ų | 57.9 | 7% | 0.072 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 164.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L37 I100 D101 | G35-L37 VanDerWaalsContact C-N 3.3Å; G35-L37 PolarHBondContact O-N 3.1Å; G35-I100 CarbonylContact O-C 3.54Å; G35-I100 WeakPolarHBondContact O-CA 3.25Å; G35-D101 PolarHBondContact N-O 3.49Å; G35-D101 PolarHBondContact O-N 3.09Å |
| 36 | G | 88.9 | Confident | 84.3 | Confident | 39 Ų | 39 | 53 Ų | 53 | 40% | 0.402 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 74.9 | 15.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115 | G72 | G36-G72 PolarHBondContact N-O 2.88Š|
| 37 | L | 89.9 | Confident | 85.6 | Confident | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | trans | -61 | 148.5 | 175.3 | -60.3 | 178.8 | 0 | 0 | 0 | 110.6 | I34 G35 T41 L46 I61 G72 L95 I100 | I34-L37 HydrophobicContact CB-CD2 4.38Å; I34-L37 HydrophobicContact CG2-CD2 3.55Å; I34-L37 HydrophobicContact CG2-CG 4.13Å; G35-L37 VanDerWaalsContact C-N 3.3Å; G35-L37 PolarHBondContact O-N 3.1Å; L37-T41 HydrophobicContact CD2-CG2 4.31Å; L37-L46 HydrophobicContact CD1-CD2 3.97Å; L37-L46 HydrophobicContact CD2-CD1 3.83Å; L37-I61 HydrophobicContact CD1-CG1 4.36Å; L37-G72 PolarHBondContact N-O 2.63Å; L37-G72 WeakPolarHBondContact O-CA 3.21Å; L37-L95 HydrophobicContact CD2-CD2 4.16Å; L37-I100 HydrophobicContact CD2-CB 4.47Å; L37-I100 HydrophobicContact CD2-CG2 3.84Å | ||
| 38 | S | 89.2 | Confident | 87.1 | Confident | 11 Ų | 11 | 45.3 Ų | 45.3 | 8% | 0.077 | 25% | 0.247 | C | C | . | . | trans | -67.3 | 157.2 | 169.3 | -157.6 | 0 | 0 | 0 | 0 | 110.6 | D40 T41 K98 | S38-D40 PolarHBondContact O-N 3.08Å; S38-T41 WeakPolarHBondContact CA-OG1 3.25Å; S38-T41 WeakPolarHBondContact CB-OG1 3.35Å; S38-T41 PolarHBondContact N-OG1 3.17Å; S38-T41 WeakPolarHBondContact O-CB 3.4Å; S38-T41 PolarHBondContact O-N 3.11Å; S38-T41 PolarHBondContact O-OG1 3.31Å; S38-K98 PolarHBondContact OG-NZ 3.03Å | ||
| 39 | W | 88 | Confident | 87.8 | Confident | 131 Ų | 131 | 44.8 Ų | 44.8 | 50% | 0.496 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -25.5 | 176.1 | -64.3 | -34.5 | 0 | 0 | 0 | 112.1 | S70 | W39-S70 VanDerWaalsContact CD1-O 3.29Å; W39-S70 WeakPolarHBondContact O-CB 3.14Å |
| 40 | D | 86 | Confident | 88.3 | Confident | 139 Ų | 139 | 40.3 Ų | 40.3 | 74% | 0.743 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -5.4 | 179.5 | -46.3 | -58.1 | 0 | 0 | 0 | 112.4 | S38 S42 | S38-D40 PolarHBondContact O-N 3.08Å; D40-S42 PolarHBondContact O-N 3.22Å |
| 41 | T | 86.1 | Confident | 88.7 | Confident | 6 Ų | 6 | 42.8 Ų | 42.8 | 4% | 0.037 | 23% | 0.234 | C | C | . | . | trans | -64.3 | 121.7 | 178.1 | -61.8 | 0 | 0 | 0 | 0 | 109.3 | L37 S38 D45 L46 I61 L95 D96 | L37-T41 HydrophobicContact CD2-CG2 4.31Å; S38-T41 WeakPolarHBondContact CA-OG1 3.25Å; S38-T41 WeakPolarHBondContact CB-OG1 3.35Å; S38-T41 PolarHBondContact N-OG1 3.17Å; S38-T41 WeakPolarHBondContact O-CB 3.4Å; S38-T41 PolarHBondContact O-N 3.11Å; S38-T41 PolarHBondContact O-OG1 3.31Å; T41-D45 HydrophobicContact CG2-CB 4.49Å; T41-L46 HydrophobicContact CG2-CB 4.49Å; T41-I61 VanDerWaalsContact O-CD1 3.29Å; T41-I61 WeakPolarHBondContact O-CD1 3.24Å; T41-L95 HydrophobicContact CG2-CD2 3.56Å; T41-L95 HydrophobicContact CG2-CG 4.36Å; T41-D96 WeakPolarHBondContact CA-OD2 2.87Å; T41-D96 VanDerWaalsContact CB-OD2 3.29Å; T41-D96 WeakPolarHBondContact CB-OD2 3.48Å; T41-D96 WeakPolarHBondContact CG2-OD2 3.29Å; T41-D96 PolarHBondContact OG1-OD2 2.81Å | ||
| 42 | S | 87.4 | Confident | 88.8 | Confident | 41 Ų | 41 | 49.5 Ų | 49.5 | 29% | 0.287 | 26% | 0.263 | S | S | . | . | trans | -89.9 | 165.2 | 177.5 | 76.8 | 0 | 0 | 0 | 0 | 111.7 | D40 T44 D45 L46 I61 | D40-S42 PolarHBondContact O-N 3.22Å; S42-T44 VanDerWaalsContact C-N 3.27Å; S42-T44 PolarHBondContact O-N 3.27Å; S42-T44 PolarHBondContact OG-OG1 2.78Å; S42-D45 WeakPolarHBondContact CB-OD2 3.26Å; S42-D45 PolarHBondContact N-OD2 3.05Å; S42-D45 VanDerWaalsContact N-OD2 3.16Å; S42-D45 PolarHBondContact O-N 3.23Å; S42-D45 PolarHBondContact OG-N 3.38Å; S42-D45 PolarHBondContact OG-OD2 3.04Å; S42-L46 PolarHBondContact O-N 3.18Å; S42-L46 VanDerWaalsContact O-N 3.17Å; S42-I61 VanDerWaalsContact C-CD1 3.42Å | ||
| 43 | K | 85.9 | Confident | 88.8 | Confident | 71 Ų | 71 | 51 Ų | 51 | 31% | 0.309 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.6 | -40.8 | 175.5 | -179.8 | -170.2 | 169.4 | -162.6 | 0 | 111.3 | E16 L46 T47 C59 | E16-K43 VanDerWaalsContact CD-NZ 3.27Å; E16-K43 WeakPolarHBondContact OE1-CD 3.49Å; E16-K43 WeakPolarHBondContact OE1-CE 3.47Å; E16-K43 IonicContact OE1-NZ 2.63Å; E16-K43 PolarHBondContact OE1-NZ 3.34Å; K43-L46 PolarHBondContact O-N 2.87Å; K43-T47 WeakPolarHBondContact O-CB 3.42Å; K43-T47 PolarHBondContact O-N 2.85Å; K43-T47 PolarHBondContact O-OG1 3.11Å; K43-C59 WeakPolarHBondContact CE-O 3.33Å; K43-C59 WeakPolarHBondContact CE-SG 3.29Å; K43-C59 WeakPolarHBondContact CG-SG 3.17Å |
| 44 | T | 88.5 | Confident | 88.6 | Confident | 86 Ų | 86 | 48.9 Ų | 48.9 | 53% | 0.528 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63 | -46.6 | -179.6 | 45.9 | 0 | 0 | 0 | 0 | 110.3 | S42 L46 T47 D48 | S42-T44 VanDerWaalsContact C-N 3.27Å; S42-T44 PolarHBondContact O-N 3.27Å; S42-T44 PolarHBondContact OG-OG1 2.78Å; T44-L46 VanDerWaalsContact C-N 3.3Å; T44-L46 PolarHBondContact O-N 2.67Å; T44-T47 PolarHBondContact O-N 3.38Å; T44-T47 VanDerWaalsContact O-N 3.08Å; T44-D48 WeakPolarHBondContact O-CB 3.3Å; T44-D48 PolarHBondContact O-N 3.3Å |
| 45 | D | 89.8 | Confident | 88.6 | Confident | 60 Ų | 60 | 53.6 Ų | 53.6 | 32% | 0.321 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.4 | -42.2 | 179.2 | -53.4 | -39.5 | 0 | 0 | 0 | 111.8 | T41 S42 Y49 | T41-D45 HydrophobicContact CG2-CB 4.49Å; S42-D45 WeakPolarHBondContact CB-OD2 3.26Å; S42-D45 PolarHBondContact N-OD2 3.05Å; S42-D45 VanDerWaalsContact N-OD2 3.16Å; S42-D45 PolarHBondContact O-N 3.23Å; S42-D45 PolarHBondContact OG-N 3.38Å; S42-D45 PolarHBondContact OG-OD2 3.04Å; D45-Y49 VanDerWaalsContact O-CB 3.29Å; D45-Y49 WeakPolarHBondContact O-CB 3.2Å; D45-Y49 PolarHBondContact O-N 2.78Å |
| 46 | L | 88.9 | Confident | 88.5 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.8 | -41.4 | 176.8 | -177 | 59.7 | 0 | 0 | 0 | 112 | I34 L37 T41 S42 K43 T44 L50 I61 V76 L95 | I34-L46 HydrophobicContact CG1-CD1 4.32Å; I34-L46 HydrophobicContact CG2-CD1 4.1Å; L37-L46 HydrophobicContact CD1-CD2 3.97Å; L37-L46 HydrophobicContact CD2-CD1 3.83Å; T41-L46 HydrophobicContact CG2-CB 4.49Å; S42-L46 PolarHBondContact O-N 3.18Å; S42-L46 VanDerWaalsContact O-N 3.17Å; K43-L46 PolarHBondContact O-N 2.87Å; T44-L46 VanDerWaalsContact C-N 3.3Å; T44-L46 PolarHBondContact O-N 2.67Å; L46-L50 HydrophobicContact CD1-CD1 3.64Å; L46-L50 HydrophobicContact CD1-CG 4.25Å; L46-L50 HydrophobicContact CG-CD1 3.93Å; L46-L50 WeakPolarHBondContact O-CB 3.37Å; L46-L50 WeakPolarHBondContact O-CG 3.26Å; L46-L50 PolarHBondContact O-N 3.27Å; L46-I61 HydrophobicContact CD2-CG1 4.22Å; L46-V76 HydrophobicContact CD2-CG2 3.84Å; L46-V76 HydrophobicContact CG-CG2 4.17Å; L46-L95 HydrophobicContact CB-CD2 4.44Å; L46-L95 HydrophobicContact CD1-CD2 3.97Å |
| 47 | T | 89.3 | Confident | 88.3 | Confident | 28 Ų | 28 | 56.2 Ų | 56.2 | 17% | 0.172 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.1 | -47.6 | 179.6 | -52 | 0 | 0 | 0 | 0 | 110.9 | K43 T44 Y49 L50 S51 V56 C59 | K43-T47 WeakPolarHBondContact O-CB 3.42Å; K43-T47 PolarHBondContact O-N 2.85Å; K43-T47 PolarHBondContact O-OG1 3.11Å; T44-T47 PolarHBondContact O-N 3.38Å; T44-T47 VanDerWaalsContact O-N 3.08Å; T47-Y49 VanDerWaalsContact C-N 3.28Å; T47-Y49 PolarHBondContact O-N 2.96Å; T47-L50 PolarHBondContact O-N 2.86Å; T47-S51 VanDerWaalsContact O-CB 3.25Å; T47-S51 WeakPolarHBondContact O-CB 3.28Å; T47-S51 PolarHBondContact O-N 2.95Å; T47-S51 PolarHBondContact O-OG 2.86Å; T47-V56 HydrophobicContact CG2-CB 4.07Å; T47-V56 HydrophobicContact CG2-CG1 4.13Å; T47-V56 HydrophobicContact CG2-CG2 4.42Å; T47-C59 PolarHBondContact OG1-SG 3.01Å |
| 48 | D | 90.1 | Very high | 88.1 | Confident | 106 Ų | 106 | 56.8 Ų | 56.8 | 57% | 0.567 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -63.1 | -38.3 | -179.2 | -68.8 | -12.4 | 0 | 0 | 0 | 111.1 | T44 | T44-D48 WeakPolarHBondContact O-CB 3.3Å; T44-D48 PolarHBondContact O-N 3.3Å |
| 49 | Y | 89.5 | Confident | 88 | Confident | 39 Ų | 39 | 56.4 Ų | 56.4 | 15% | 0.153 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.1 | -47.7 | 174.8 | -177.3 | -98.1 | 0 | 0 | 0 | 112.1 | D45 T47 K52 F53 H93 L95 I100 | D45-Y49 VanDerWaalsContact O-CB 3.29Å; D45-Y49 WeakPolarHBondContact O-CB 3.2Å; D45-Y49 PolarHBondContact O-N 2.78Å; T47-Y49 VanDerWaalsContact C-N 3.28Å; T47-Y49 PolarHBondContact O-N 2.96Å; Y49-K52 WeakPolarHBondContact O-CB 3.35Å; Y49-K52 WeakPolarHBondContact O-CG 3.43Å; Y49-F53 HydrophobicContact CE1-CE2 4.05Å; Y49-H93 HydrophobicContact CE1-CB 4.23Å; Y49-H93 AromaticContact CE1-ND1 3.71Å; Y49-H93 AromaticContact CZ-ND1 3.9Å; Y49-H93 PolarHBondContact OH-ND1 3.46Å; Y49-L95 HydrophobicContact CD2-CD1 4.02Å; Y49-L95 HydrophobicContact CG-CD1 3.86Å; Y49-I100 HydrophobicContact CD1-CD1 4.13Å; Y49-I100 HydrophobicContact CE1-CD1 3.86Å |
| 50 | L | 88.7 | Confident | 88 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -76.4 | -23.2 | -176.1 | -72 | 172 | 0 | 0 | 0 | 113.5 | I34 L46 T47 K52 F53 G54 V56 V76 F78 V87 | I34-L50 HydrophobicContact CD1-CD1 3.96Å; I34-L50 HydrophobicContact CD1-CD2 4.41Å; I34-L50 HydrophobicContact CG1-CD1 4.1Å; L46-L50 HydrophobicContact CD1-CD1 3.64Å; L46-L50 HydrophobicContact CD1-CG 4.25Å; L46-L50 HydrophobicContact CG-CD1 3.93Å; L46-L50 WeakPolarHBondContact O-CB 3.37Å; L46-L50 WeakPolarHBondContact O-CG 3.26Å; L46-L50 PolarHBondContact O-N 3.27Å; T47-L50 PolarHBondContact O-N 2.86Å; L50-K52 PolarHBondContact O-N 2.78Å; L50-K52 VanDerWaalsContact O-N 3.1Å; L50-F53 HydrophobicContact CD2-CD2 4.42Å; L50-F53 PolarHBondContact O-N 2.75Å; L50-G54 PolarHBondContact O-N 2.95Å; L50-V56 HydrophobicContact CB-CG2 4.15Å; L50-V76 HydrophobicContact CD1-CB 4.03Å; L50-V76 HydrophobicContact CD1-CG1 3.92Å; L50-V76 HydrophobicContact CD1-CG2 3.55Å; L50-F78 HydrophobicContact CB-CE1 4.27Å; L50-F78 HydrophobicContact CB-CZ 3.89Å; L50-F78 HydrophobicContact CD2-CZ 4.22Å; L50-F78 HydrophobicContact CG-CZ 4.43Å; L50-V87 HydrophobicContact CD2-CG1 4.31Å; L50-V87 HydrophobicContact CD2-CG2 4.07Å |
| 51 | S | 88.9 | Confident | 88.1 | Confident | 58 Ų | 58 | 46.1 Ų | 46.1 | 41% | 0.406 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -20 | 176.2 | -65.4 | 0 | 0 | 0 | 0 | 112.9 | T47 F53 G54 | T47-S51 VanDerWaalsContact O-CB 3.25Å; T47-S51 WeakPolarHBondContact O-CB 3.28Å; T47-S51 PolarHBondContact O-N 2.95Å; T47-S51 PolarHBondContact O-OG 2.86Å; S51-F53 PolarHBondContact O-N 2.89Å; S51-G54 VanDerWaalsContact CA-O 3.29Å; S51-G54 WeakPolarHBondContact CA-O 3.5Å; S51-G54 PolarHBondContact O-N 2.68Å |
| 52 | K | 89.2 | Confident | 88.2 | Confident | 156 Ų | 156 | 48.4 Ų | 48.4 | 68% | 0.678 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -23.2 | 172.5 | -61.2 | 176.4 | -175.2 | 175.9 | 0 | 113.1 | Y49 L50 | Y49-K52 WeakPolarHBondContact O-CB 3.35Å; Y49-K52 WeakPolarHBondContact O-CG 3.43Å; L50-K52 PolarHBondContact O-N 2.78Å; L50-K52 VanDerWaalsContact O-N 3.1Å |
| 53 | F | 88.1 | Confident | 88.2 | Confident | 32 Ų | 32 | 50 Ų | 50 | 14% | 0.14 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -104.4 | -7.2 | -178.2 | -55 | -78.7 | 0 | 0 | 0 | 113 | Y49 L50 S51 S83 R86 V87 L90 | Y49-F53 HydrophobicContact CE1-CE2 4.05Å; L50-F53 HydrophobicContact CD2-CD2 4.42Å; L50-F53 PolarHBondContact O-N 2.75Å; S51-F53 PolarHBondContact O-N 2.89Å; F53-S83 WeakPolarHBondContact O-CA 3.44Å; F53-S83 WeakPolarHBondContact O-CB 3.29Å; F53-R86 PolarHBondContact O-NE 2.92Å; F53-R86 PolarHBondContact O-NH1 2.57Å; F53-R86 VanDerWaalsContact O-NH1 3.15Å; F53-R86 PolarHBondContact O-NH2 3.16Å; F53-V87 HydrophobicContact CB-CG2 3.4Å; F53-V87 VanDerWaalsContact CB-CG2 3.4Å; F53-V87 HydrophobicContact CD1-CG2 4.25Å; F53-V87 HydrophobicContact CD2-CG2 3.79Å; F53-V87 HydrophobicContact CG-CG2 3.54Å; F53-L90 HydrophobicContact CD1-CD1 4.46Å; F53-L90 HydrophobicContact CE1-CD1 3.26Å; F53-L90 HydrophobicContact CE1-CG 4.24Å; F53-L90 HydrophobicContact CZ-CD1 3.36Å |
| 54 | G | 87.6 | Confident | 88 | Confident | 12 Ų | 12 | 49.6 Ų | 49.6 | 12% | 0.124 | 26% | 0.264 | C | S | . | . | S | Bend | trans | 157.7 | 168.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L50 S51 V56 S83 | L50-G54 PolarHBondContact O-N 2.95Å; S51-G54 VanDerWaalsContact CA-O 3.29Å; S51-G54 WeakPolarHBondContact CA-O 3.5Å; S51-G54 PolarHBondContact O-N 2.68Å; G54-V56 PolarHBondContact O-N 2.92Å; G54-S83 WeakPolarHBondContact CA-OG 3.26Å |
| 55 | E | 89 | Confident | 87.5 | Confident | 100 Ų | 100 | 54.1 Ų | 54.1 | 47% | 0.467 | 28% | 0.283 | S | S | . | . | trans | -68.9 | 120.4 | 179.3 | -172 | -175.6 | 146.8 | 0 | 0 | 110.6 | F78 R79 | E55-F78 WeakPolarHBondContact O-CA 3.36Å; E55-R79 HydrophobicContact CB-CB 4.07Å; E55-R79 VanDerWaalsContact CD-CD 3.49Å; E55-R79 HydrophobicContact CG-CB 4.43Å; E55-R79 PolarHBondContact O-N 3.31Å; E55-R79 IonicContact OE1-NH1 3.08Å; E55-R79 PolarHBondContact OE1-NH1 3.44Å; E55-R79 VanDerWaalsContact OE1-NH1 3.08Å; E55-R79 WeakPolarHBondContact OE2-CD 3.39Å; E55-R79 IonicContact OE2-NE 3.9Å; E55-R79 IonicContact OE2-NH1 3.62Å | ||
| 56 | V | 88.8 | Confident | 86.9 | Confident | 26 Ų | 26 | 59.7 Ų | 59.7 | 16% | 0.158 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 117.7 | 177.3 | 177.9 | 0 | 0 | 0 | 0 | 109.1 | T47 L50 G54 D58 C59 V76 F78 | T47-V56 HydrophobicContact CG2-CB 4.07Å; T47-V56 HydrophobicContact CG2-CG1 4.13Å; T47-V56 HydrophobicContact CG2-CG2 4.42Å; L50-V56 HydrophobicContact CB-CG2 4.15Å; G54-V56 PolarHBondContact O-N 2.92Å; V56-D58 WeakPolarHBondContact CG1-O 3.26Å; V56-C59 HydrophobicContact CG1-CB 4.22Å; V56-V76 HydrophobicContact CB-CG1 4.46Å; V56-V76 HydrophobicContact CG1-CG1 3.6Å; V56-V76 HydrophobicContact CG2-CG1 4.04Å; V56-F78 HydrophobicContact CG2-CD1 3.98Å; V56-F78 HydrophobicContact CG2-CE1 3.67Å; V56-F78 HydrophobicContact CG2-CZ 4.4Å |
| 57 | L | 86.2 | Confident | 86.6 | Confident | 74 Ų | 74 | 64.2 Ų | 64.2 | 39% | 0.387 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | -37.7 | 177.5 | -70.1 | -179.6 | 0 | 0 | 0 | 112.9 | L77 R79 | L57-L77 HydrophobicContact CB-CD2 4.42Å; L57-L77 HydrophobicContact CB-CG 4.36Å; L57-L77 PolarHBondContact N-O 3.36Å; L57-R79 HydrophobicContact CD1-CB 4.17Å; L57-R79 HydrophobicContact CD2-CB 4.14Å; L57-R79 HydrophobicContact CD2-CG 4.43Å; L57-R79 HydrophobicContact CG-CB 3.91Å |
| 58 | D | 84.2 | Confident | 86.1 | Confident | 17 Ų | 17 | 65.5 Ų | 65.5 | 9% | 0.091 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 150.4 | -177 | -166.1 | 7.5 | 0 | 0 | 0 | 109.2 | G17 K19 I20 V56 L77 | G17-D58 VanDerWaalsContact C-OD2 3.29Å; G17-D58 WeakPolarHBondContact CA-OD1 3.42Å; G17-D58 WeakPolarHBondContact CA-OD2 3.42Å; G17-D58 PolarHBondContact N-OD1 3.08Å; G17-D58 VanDerWaalsContact N-OD1 3.08Å; G17-D58 PolarHBondContact N-OD2 2.81Å; K19-D58 HydrophobicContact CB-CB 4.35Å; K19-D58 PolarHBondContact N-OD2 3.32Å; I20-D58 HydrophobicContact CD1-CB 3.81Å; I20-D58 HydrophobicContact CG1-CB 3.94Å; I20-D58 WeakPolarHBondContact CG1-OD2 3.4Å; I20-D58 PolarHBondContact N-OD2 3.4Å; I20-D58 VanDerWaalsContact N-OD2 3.13Å; V56-D58 WeakPolarHBondContact CG1-O 3.26Å; D58-L77 HydrophobicContact CB-CB 4.13Å; D58-L77 HydrophobicContact CB-CD2 4.39Å; D58-L77 PolarHBondContact N-O 3.48Å; D58-L77 PolarHBondContact O-N 2.94Å |
| 59 | C | 87.1 | Confident | 85.8 | Confident | 3 Ų | 3 | 66.9 Ų | 66.9 | 2% | 0.02 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 145.8 | 173.9 | 58.6 | 0 | 0 | 0 | 0 | 110.6 | K43 T47 V56 F75 V76 | K43-C59 WeakPolarHBondContact CE-O 3.33Å; K43-C59 WeakPolarHBondContact CE-SG 3.29Å; K43-C59 WeakPolarHBondContact CG-SG 3.17Å; T47-C59 PolarHBondContact OG1-SG 3.01Å; V56-C59 HydrophobicContact CG1-CB 4.22Å; C59-F75 CarbonylContact C-O 3.56Å; C59-F75 WeakPolarHBondContact CA-O 3.17Å; C59-V76 HydrophobicContact CB-CB 4.41Å; C59-V76 HydrophobicContact CB-CG1 4.29Å; C59-V76 HydrophobicContact CB-CG2 3.9Å |
| 60 | T | 88 | Confident | 85.7 | Confident | 24 Ų | 24 | 65.5 Ų | 65.5 | 15% | 0.147 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 119.8 | -173.4 | -59.6 | 0 | 0 | 0 | 0 | 109.7 | G17 K62 G74 F75 | G17-T60 WeakPolarHBondContact CA-OG1 3.34Å; T60-K62 HydrophobicContact CG2-CD 4.36Å; T60-G74 CarbonylContact O-C 3.49Å; T60-G74 WeakPolarHBondContact O-CA 3.23Å; T60-F75 PolarHBondContact N-O 2.79Å; T60-F75 PolarHBondContact O-N 3.04Å |
| 61 | I | 89.8 | Confident | 85.5 | Confident | 30 Ų | 30 | 73 Ų | 73 | 15% | 0.154 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 131.4 | 170.7 | -61.1 | -178.2 | 0 | 0 | 0 | 108.3 | L37 T41 S42 L46 T63 | L37-I61 HydrophobicContact CD1-CG1 4.36Å; T41-I61 VanDerWaalsContact O-CD1 3.29Å; T41-I61 WeakPolarHBondContact O-CD1 3.24Å; S42-I61 VanDerWaalsContact C-CD1 3.42Å; L46-I61 HydrophobicContact CD2-CG1 4.22Å; I61-T63 PolarHBondContact O-N 3.31Å |
| 62 | K | 86.9 | Confident | 85.4 | Confident | 54 Ų | 54 | 70.7 Ų | 70.7 | 24% | 0.235 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 114.9 | 177.1 | -67.1 | -55.5 | -175.6 | -167.9 | 0 | 109.3 | T60 R71 F73 F75 | T60-K62 HydrophobicContact CG2-CD 4.36Å; K62-R71 VanDerWaalsContact O-CB 3.24Å; K62-R71 WeakPolarHBondContact O-CB 3.46Å; K62-R71 WeakPolarHBondContact O-CG 3.3Å; K62-R71 PolarHBondContact O-N 2.86Å; K62-F73 HydrophobicContact CB-CD2 4.11Å; K62-F73 HydrophobicContact CB-CE1 4.43Å; K62-F73 HydrophobicContact CB-CE2 3.6Å; K62-F73 HydrophobicContact CB-CZ 3.77Å; K62-F73 HydrophobicContact CG-CD2 4.15Å; K62-F73 HydrophobicContact CG-CE2 3.55Å; K62-F73 HydrophobicContact CG-CZ 4.13Å; K62-F73 PolarHBondContact N-O 3.01Å; K62-F75 HydrophobicContact CG-CD2 4.3Å; K62-F75 HydrophobicContact CG-CE2 4.19Å |
| 63 | T | 87.6 | Confident | 85.5 | Confident | 74 Ų | 74 | 65.4 Ų | 65.4 | 45% | 0.454 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 157.9 | 172.1 | 51.5 | 0 | 0 | 0 | 0 | 110.4 | I61 R69 | I61-T63 PolarHBondContact O-N 3.31Å; T63-R69 CarbonylContact C-O 3.51Å; T63-R69 VanDerWaalsContact CA-O 3.25Å; T63-R69 WeakPolarHBondContact CA-O 3.32Å |
| 64 | D | 82.9 | Confident | 85.6 | Confident | 63 Ų | 63 | 63.9 Ų | 63.9 | 34% | 0.337 | 33% | 0.334 | S | S | . | . | trans | -73.3 | 127.5 | 167.9 | 176.7 | 3.4 | 0 | 0 | 0 | 109.2 | M66 T67 G68 R69 R71 | D64-M66 VanDerWaalsContact C-N 3.25Å; D64-M66 PolarHBondContact O-N 2.8Å; D64-M66 PolarHBondContact OD1-N 3.17Å; D64-T67 WeakPolarHBondContact CB-OG1 3.06Å; D64-T67 VanDerWaalsContact CG-OG1 3.27Å; D64-T67 WeakPolarHBondContact OD2-CG2 3.3Å; D64-T67 PolarHBondContact OD2-OG1 3.19Å; D64-G68 WeakPolarHBondContact O-CA 3.49Å; D64-G68 PolarHBondContact O-N 2.94Å; D64-R69 PolarHBondContact N-O 3.31Å; D64-R71 HydrophobicContact CB-CG 4.46Å | ||
| 65 | L | 78 | Confident | 85.8 | Confident | 180 Ų | 180 | 64.9 Ų | 64.9 | 94% | 0.942 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -26 | -177.9 | -73.6 | 140.7 | 0 | 0 | 0 | 112.7 | ||
| 66 | M | 76.1 | Confident | 85.9 | Confident | 178 Ų | 178 | 60.1 Ų | 60.1 | 88% | 0.877 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -38.1 | -178.8 | -70.6 | -166 | 61.2 | 0 | 0 | 112.8 | D64 | D64-M66 VanDerWaalsContact C-N 3.25Å; D64-M66 PolarHBondContact O-N 2.8Å; D64-M66 PolarHBondContact OD1-N 3.17Å |
| 67 | T | 82.6 | Confident | 85.9 | Confident | 95 Ų | 95 | 59.3 Ų | 59.3 | 58% | 0.583 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.8 | -11 | -173.4 | 63 | 0 | 0 | 0 | 0 | 113.4 | D64 R69 | D64-T67 WeakPolarHBondContact CB-OG1 3.06Å; D64-T67 VanDerWaalsContact CG-OG1 3.27Å; D64-T67 WeakPolarHBondContact OD2-CG2 3.3Å; D64-T67 PolarHBondContact OD2-OG1 3.19Å; T67-R69 PolarHBondContact O-N 2.83Å; T67-R69 VanDerWaalsContact O-N 3.09Å; T67-R69 PolarHBondContact OG1-N 2.98Å |
| 68 | G | 79.5 | Confident | 86.1 | Confident | 54 Ų | 54 | 56 Ų | 56 | 56% | 0.557 | 29% | 0.29 | S | S | * | . | trans | 68.7 | -3.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | D64 | D64-G68 WeakPolarHBondContact O-CA 3.49Å; D64-G68 PolarHBondContact O-N 2.94Å | ||
| 69 | R | 82.9 | Confident | 86.2 | Confident | 135 Ų | 135 | 62.1 Ų | 62.1 | 51% | 0.509 | 31% | 0.312 | S | S | . | . | trans | -74.7 | 140 | -173.6 | -163.3 | -178.7 | -163.7 | 177.6 | 11.1 | 111.2 | T63 D64 T67 R71 | T63-R69 CarbonylContact C-O 3.51Å; T63-R69 VanDerWaalsContact CA-O 3.25Å; T63-R69 WeakPolarHBondContact CA-O 3.32Å; D64-R69 PolarHBondContact N-O 3.31Å; T67-R69 PolarHBondContact O-N 2.83Å; T67-R69 VanDerWaalsContact O-N 3.09Å; T67-R69 PolarHBondContact OG1-N 2.98Å; R69-R71 PolarHBondContact O-N 3.38Å | ||
| 70 | S | 86.9 | Confident | 86.1 | Confident | 11 Ų | 11 | 65.8 Ų | 65.8 | 8% | 0.077 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 134.1 | 171.4 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | W39 G72 | W39-S70 VanDerWaalsContact CD1-O 3.29Å; W39-S70 WeakPolarHBondContact O-CB 3.14Å; S70-G72 PolarHBondContact O-N 2.88Å; S70-G72 PolarHBondContact OG-N 3.11Å; S70-G72 VanDerWaalsContact OG-N 3.15Å |
| 71 | R | 85.8 | Confident | 86.1 | Confident | 156 Ų | 156 | 67.2 Ų | 67.2 | 59% | 0.589 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 3.2 | 174.9 | -60.3 | 178.3 | 62.7 | -178.5 | -2.7 | 112.3 | K62 D64 R69 F73 | K62-R71 VanDerWaalsContact O-CB 3.24Å; K62-R71 WeakPolarHBondContact O-CB 3.46Å; K62-R71 WeakPolarHBondContact O-CG 3.3Å; K62-R71 PolarHBondContact O-N 2.86Å; D64-R71 HydrophobicContact CB-CG 4.46Å; R69-R71 PolarHBondContact O-N 3.38Å; R71-F73 VanDerWaalsContact C-N 3.32Å; R71-F73 HydrophobicContact CB-CD1 3.73Å; R71-F73 HydrophobicContact CB-CE1 3.43Å; R71-F73 VanDerWaalsContact CB-CE1 3.43Å; R71-F73 HydrophobicContact CB-CZ 4.33Å; R71-F73 HydrophobicContact CG-CE1 4.35Å; R71-F73 WeakPolarHBondContact O-CD1 3.34Å |
| 72 | G | 87.4 | Confident | 86.1 | Confident | 11 Ų | 11 | 72.3 Ų | 72.3 | 11% | 0.113 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 75 | 20.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | G36 L37 S70 | G36-G72 PolarHBondContact N-O 2.88Å; L37-G72 PolarHBondContact N-O 2.63Å; L37-G72 WeakPolarHBondContact O-CA 3.21Å; S70-G72 PolarHBondContact O-N 2.88Å; S70-G72 PolarHBondContact OG-N 3.11Å; S70-G72 VanDerWaalsContact OG-N 3.15Å |
| 73 | F | 90.5 | Very high | 86.2 | Confident | 44 Ų | 44 | 69.8 Ų | 69.8 | 19% | 0.193 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 157.1 | 172.9 | 70.7 | -90 | 0 | 0 | 0 | 112.3 | F33 I34 K62 R71 F75 | F33-F73 HydrophobicContact CD2-CD2 4.36Å; F33-F73 HydrophobicContact CE2-CB 3.81Å; F33-F73 AromaticContact CE2-CD2 3.53Å; F33-F73 HydrophobicContact CE2-CD2 3.53Å; F33-F73 HydrophobicContact CE2-CE2 4.34Å; F33-F73 AromaticContact CE2-CG 3.89Å; F33-F73 HydrophobicContact CE2-CG 3.89Å; F33-F73 HydrophobicContact CZ-CB 3.79Å; F33-F73 HydrophobicContact CZ-CD2 4.31Å; F33-F73 HydrophobicContact CZ-CG 4.21Å; I34-F73 CarbonylContact O-C 3.54Å; I34-F73 WeakPolarHBondContact O-CA 3Å; I34-F73 WeakPolarHBondContact O-CB 3.32Å; K62-F73 HydrophobicContact CB-CD2 4.11Å; K62-F73 HydrophobicContact CB-CE1 4.43Å; K62-F73 HydrophobicContact CB-CE2 3.6Å; K62-F73 HydrophobicContact CB-CZ 3.77Å; K62-F73 HydrophobicContact CG-CD2 4.15Å; K62-F73 HydrophobicContact CG-CE2 3.55Å; K62-F73 HydrophobicContact CG-CZ 4.13Å; K62-F73 PolarHBondContact N-O 3.01Å; R71-F73 VanDerWaalsContact C-N 3.32Å; R71-F73 HydrophobicContact CB-CD1 3.73Å; R71-F73 HydrophobicContact CB-CE1 3.43Å; R71-F73 VanDerWaalsContact CB-CE1 3.43Å; R71-F73 HydrophobicContact CB-CZ 4.33Å; R71-F73 HydrophobicContact CG-CE1 4.35Å; R71-F73 WeakPolarHBondContact O-CD1 3.34Å; F73-F75 HydrophobicContact CD2-CE2 4.38Å; F73-F75 HydrophobicContact CE2-CE2 4.17Å |
| 74 | G | 90.8 | Very high | 86.2 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 175.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | I34 T60 | I34-G74 PolarHBondContact N-O 3.43Å; I34-G74 PolarHBondContact O-N 3.26Å; T60-G74 CarbonylContact O-C 3.49Å; T60-G74 WeakPolarHBondContact O-CA 3.23Å |
| 75 | F | 91.2 | Very high | 86.5 | Confident | 33 Ų | 33 | 66.4 Ų | 66.4 | 15% | 0.145 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 143.7 | 172.2 | -65.9 | -86.6 | 0 | 0 | 0 | 109.1 | I20 M32 F33 C59 T60 K62 F73 A105 | I20-F75 HydrophobicContact CD1-CB 4.42Å; I20-F75 HydrophobicContact CG2-CB 3.9Å; M32-F75 CarbonylContact O-C 3.53Å; M32-F75 VanDerWaalsContact O-CA 3.3Å; M32-F75 WeakPolarHBondContact O-CA 3.48Å; F33-F75 HydrophobicContact CB-CD1 4.31Å; F33-F75 HydrophobicContact CB-CE1 4.11Å; F33-F75 HydrophobicContact CD2-CD1 4.39Å; F33-F75 AromaticContact CD2-CE1 3.78Å; F33-F75 HydrophobicContact CD2-CE1 3.78Å; F33-F75 AromaticContact CD2-CZ 3.86Å; F33-F75 HydrophobicContact CD2-CZ 3.86Å; F33-F75 HydrophobicContact CG-CE1 4.45Å; C59-F75 CarbonylContact C-O 3.56Å; C59-F75 WeakPolarHBondContact CA-O 3.17Å; T60-F75 PolarHBondContact N-O 2.79Å; T60-F75 PolarHBondContact O-N 3.04Å; K62-F75 HydrophobicContact CG-CD2 4.3Å; K62-F75 HydrophobicContact CG-CE2 4.19Å; F73-F75 HydrophobicContact CD2-CE2 4.38Å; F73-F75 HydrophobicContact CE2-CE2 4.17Å; F75-A105 HydrophobicContact CD1-CB 4.29Å; F75-A105 HydrophobicContact CE1-CB 4.47Å |
| 76 | V | 90.7 | Very high | 87 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 138.1 | 178.3 | -178.3 | 0 | 0 | 0 | 0 | 107.7 | K31 M32 I34 L46 L50 V56 C59 F78 | K31-V76 CarbonylContact C-O 3.55Å; K31-V76 WeakPolarHBondContact CA-O 3.29Å; M32-V76 PolarHBondContact N-O 3.05Å; M32-V76 PolarHBondContact O-N 3.14Å; I34-V76 HydrophobicContact CG1-CG2 3.91Å; L46-V76 HydrophobicContact CD2-CG2 3.84Å; L46-V76 HydrophobicContact CG-CG2 4.17Å; L50-V76 HydrophobicContact CD1-CB 4.03Å; L50-V76 HydrophobicContact CD1-CG1 3.92Å; L50-V76 HydrophobicContact CD1-CG2 3.55Å; V56-V76 HydrophobicContact CB-CG1 4.46Å; V56-V76 HydrophobicContact CG1-CG1 3.6Å; V56-V76 HydrophobicContact CG2-CG1 4.04Å; C59-V76 HydrophobicContact CB-CB 4.41Å; C59-V76 HydrophobicContact CB-CG1 4.29Å; C59-V76 HydrophobicContact CB-CG2 3.9Å; V76-F78 HydrophobicContact CG1-CD2 4.47Å; V76-F78 HydrophobicContact CG1-CE2 4.18Å; V76-F78 HydrophobicContact CG1-CZ 4.38Å |
| 77 | L | 88.8 | Confident | 87.6 | Confident | 10 Ų | 10 | 54.6 Ų | 54.6 | 5% | 0.052 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 115.4 | 176 | -179.4 | 63.7 | 0 | 0 | 0 | 107.6 | K19 I20 D28 K31 L57 D58 | K19-L77 HydrophobicContact CB-CD2 3.82Å; I20-L77 HydrophobicContact CD1-CB 4.32Å; I20-L77 HydrophobicContact CG1-CB 3.89Å; D28-L77 VanDerWaalsContact OD2-CD1 3.26Å; D28-L77 WeakPolarHBondContact OD2-CD1 3.35Å; K31-L77 HydrophobicContact CB-CD1 4.08Å; L57-L77 HydrophobicContact CB-CD2 4.42Å; L57-L77 HydrophobicContact CB-CG 4.36Å; L57-L77 PolarHBondContact N-O 3.36Å; D58-L77 HydrophobicContact CB-CB 4.13Å; D58-L77 HydrophobicContact CB-CD2 4.39Å; D58-L77 PolarHBondContact N-O 3.48Å; D58-L77 PolarHBondContact O-N 2.94Å |
| 78 | F | 89.9 | Confident | 87.9 | Confident | 3 Ų | 3 | 53 Ų | 53 | 1% | 0.013 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 157 | 170.9 | -71.2 | -80.9 | 0 | 0 | 0 | 110.7 | G30 M32 L50 E55 V56 V76 V84 V87 | G30-F78 PolarHBondContact O-N 3.13Å; M32-F78 HydrophobicContact CB-CE2 4.36Å; M32-F78 HydrophobicContact SD-CE2 4.29Å; L50-F78 HydrophobicContact CB-CE1 4.27Å; L50-F78 HydrophobicContact CB-CZ 3.89Å; L50-F78 HydrophobicContact CD2-CZ 4.22Å; L50-F78 HydrophobicContact CG-CZ 4.43Å; E55-F78 WeakPolarHBondContact O-CA 3.36Å; V56-F78 HydrophobicContact CG2-CD1 3.98Å; V56-F78 HydrophobicContact CG2-CE1 3.67Å; V56-F78 HydrophobicContact CG2-CZ 4.4Å; V76-F78 HydrophobicContact CG1-CD2 4.47Å; V76-F78 HydrophobicContact CG1-CE2 4.18Å; V76-F78 HydrophobicContact CG1-CZ 4.38Å; F78-V84 HydrophobicContact CD2-CG2 3.71Å; F78-V84 HydrophobicContact CE2-CG2 4.38Å; F78-V84 HydrophobicContact CG-CG2 4.5Å; F78-V87 HydrophobicContact CE2-CG2 4.33Å; F78-V87 HydrophobicContact CZ-CG2 3.96Å |
| 79 | R | 86.5 | Confident | 88.3 | Confident | 147 Ų | 147 | 58.1 Ų | 58.1 | 56% | 0.555 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -64 | -45.7 | 169.6 | -175.7 | 176.6 | -176.2 | 123.1 | 2.6 | 111.8 | E55 L57 | E55-R79 HydrophobicContact CB-CB 4.07Å; E55-R79 VanDerWaalsContact CD-CD 3.49Å; E55-R79 HydrophobicContact CG-CB 4.43Å; E55-R79 PolarHBondContact O-N 3.31Å; E55-R79 IonicContact OE1-NH1 3.08Å; E55-R79 PolarHBondContact OE1-NH1 3.44Å; E55-R79 VanDerWaalsContact OE1-NH1 3.08Å; E55-R79 WeakPolarHBondContact OE2-CD 3.39Å; E55-R79 IonicContact OE2-NE 3.9Å; E55-R79 IonicContact OE2-NH1 3.62Å; L57-R79 HydrophobicContact CD1-CB 4.17Å; L57-R79 HydrophobicContact CD2-CB 4.14Å; L57-R79 HydrophobicContact CD2-CG 4.43Å; L57-R79 HydrophobicContact CG-CB 3.91Å |
| 80 | D | 86.1 | Confident | 88.5 | Confident | 79 Ų | 79 | 55.5 Ų | 55.5 | 42% | 0.422 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -116.3 | 137.9 | -176.6 | -53.1 | -59.1 | 0 | 0 | 0 | 110.9 | E82 S83 | D80-E82 PolarHBondContact O-N 3.45Å; D80-S83 VanDerWaalsContact O-CB 3.25Å; D80-S83 WeakPolarHBondContact O-CB 3.17Å; D80-S83 PolarHBondContact O-N 3.08Å; D80-S83 VanDerWaalsContact O-N 3.11Å; D80-S83 PolarHBondContact O-OG 2.65Å |
| 81 | S | 87.4 | Confident | 88 | Confident | 55 Ų | 55 | 64.9 Ų | 64.9 | 39% | 0.385 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.8 | -26.4 | 175.2 | 57.8 | 0 | 0 | 0 | 0 | 112.9 | S83 V84 D85 | S81-S83 PolarHBondContact O-N 3.28Å; S81-V84 VanDerWaalsContact O-CB 3.26Å; S81-V84 WeakPolarHBondContact O-CB 3.48Å; S81-V84 PolarHBondContact O-N 3.42Å; S81-D85 PolarHBondContact O-N 2.92Å |
| 82 | E | 89.2 | Confident | 88 | Confident | 137 Ų | 137 | 64.8 Ų | 64.8 | 64% | 0.64 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -62.1 | -27.3 | 174.8 | -62.7 | -174.7 | 174.6 | 0 | 0 | 112.4 | D80 V84 D85 R86 | D80-E82 PolarHBondContact O-N 3.45Å; E82-V84 VanDerWaalsContact C-N 3.27Å; E82-V84 PolarHBondContact O-N 2.96Å; E82-D85 PolarHBondContact O-N 2.73Å; E82-R86 WeakPolarHBondContact O-CG 3.47Å; E82-R86 PolarHBondContact O-N 3.37Å |
| 83 | S | 89.1 | Confident | 88 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.8 | -35.9 | 174.7 | -50.5 | 0 | 0 | 0 | 0 | 111.2 | F53 G54 D80 S81 D85 R86 V87 | F53-S83 WeakPolarHBondContact O-CA 3.44Å; F53-S83 WeakPolarHBondContact O-CB 3.29Å; G54-S83 WeakPolarHBondContact CA-OG 3.26Å; D80-S83 VanDerWaalsContact O-CB 3.25Å; D80-S83 WeakPolarHBondContact O-CB 3.17Å; D80-S83 PolarHBondContact O-N 3.08Å; D80-S83 VanDerWaalsContact O-N 3.11Å; D80-S83 PolarHBondContact O-OG 2.65Å; S81-S83 PolarHBondContact O-N 3.28Å; S83-D85 VanDerWaalsContact C-N 3.31Å; S83-D85 PolarHBondContact O-N 2.81Å; S83-R86 PolarHBondContact O-N 3.4Å; S83-R86 PolarHBondContact OG-NH2 3.23Å; S83-R86 VanDerWaalsContact OG-NH2 3.12Å; S83-V87 WeakPolarHBondContact O-CG2 3.39Å; S83-V87 PolarHBondContact O-N 2.86Å; S83-V87 VanDerWaalsContact O-N 3.12Å |
| 84 | V | 87.3 | Confident | 87.9 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 174.6 | 173.6 | 0 | 0 | 0 | 0 | 110.4 | M32 F78 S81 E82 V87 L88 R104 | M32-V84 HydrophobicContact CE-CB 3.85Å; M32-V84 HydrophobicContact CE-CG1 3.35Å; M32-V84 HydrophobicContact CE-CG2 4.22Å; M32-V84 WeakPolarHBondContact CE-O 3.17Å; F78-V84 HydrophobicContact CD2-CG2 3.71Å; F78-V84 HydrophobicContact CE2-CG2 4.38Å; F78-V84 HydrophobicContact CG-CG2 4.5Å; S81-V84 VanDerWaalsContact O-CB 3.26Å; S81-V84 WeakPolarHBondContact O-CB 3.48Å; S81-V84 PolarHBondContact O-N 3.42Å; E82-V84 VanDerWaalsContact C-N 3.27Å; E82-V84 PolarHBondContact O-N 2.96Å; V84-V87 PolarHBondContact O-N 2.87Å; V84-L88 HydrophobicContact CG1-CD1 3.98Å; V84-L88 VanDerWaalsContact O-CG 3.28Å; V84-L88 WeakPolarHBondContact O-CG 3.43Å; V84-L88 PolarHBondContact O-N 3.07Å; V84-R104 HydrophobicContact CG1-CG 4.01Å |
| 85 | D | 89.1 | Confident | 87.8 | Confident | 67 Ų | 67 | 69.3 Ų | 69.3 | 36% | 0.358 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67.1 | -43.1 | 179.7 | -62.5 | -16.9 | 0 | 0 | 0 | 111.7 | S81 E82 S83 V87 L88 E89 R104 | S81-D85 PolarHBondContact O-N 2.92Å; E82-D85 PolarHBondContact O-N 2.73Å; S83-D85 VanDerWaalsContact C-N 3.31Å; S83-D85 PolarHBondContact O-N 2.81Å; D85-V87 VanDerWaalsContact C-N 3.32Å; D85-V87 PolarHBondContact O-N 2.88Å; D85-L88 CarbonylContact O-C 3.58Å; D85-L88 PolarHBondContact O-N 2.96Å; D85-L88 VanDerWaalsContact O-N 3.14Å; D85-E89 WeakPolarHBondContact O-CB 3.35Å; D85-E89 PolarHBondContact O-N 2.81Å; D85-R104 IonicContact OD1-CZ 3.06Å; D85-R104 IonicContact OD1-NH1 2.83Å; D85-R104 PolarHBondContact OD1-NH1 2.91Å; D85-R104 IonicContact OD1-NH2 2.57Å; D85-R104 PolarHBondContact OD1-NH2 2.6Å |
| 86 | R | 89.8 | Confident | 87.4 | Confident | 109 Ų | 109 | 71.7 Ų | 71.7 | 41% | 0.411 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.9 | -37.4 | 175.5 | -73.1 | -176.6 | -75 | 163 | -6.8 | 113 | F53 E82 S83 | F53-R86 PolarHBondContact O-NE 2.92Å; F53-R86 PolarHBondContact O-NH1 2.57Å; F53-R86 VanDerWaalsContact O-NH1 3.15Å; F53-R86 PolarHBondContact O-NH2 3.16Å; E82-R86 WeakPolarHBondContact O-CG 3.47Å; E82-R86 PolarHBondContact O-N 3.37Å; S83-R86 PolarHBondContact O-N 3.4Å; S83-R86 PolarHBondContact OG-NH2 3.23Å; S83-R86 VanDerWaalsContact OG-NH2 3.12Å |
| 87 | V | 88.9 | Confident | 87 | Confident | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.7 | -50.7 | 172.1 | 174.4 | 0 | 0 | 0 | 0 | 109.1 | M32 L50 F53 F78 S83 V84 D85 E89 L90 H93 P102 | M32-V87 HydrophobicContact CE-CB 3.72Å; M32-V87 HydrophobicContact CE-CG1 3.75Å; M32-V87 HydrophobicContact CE-CG2 4.43Å; M32-V87 HydrophobicContact SD-CB 4.08Å; M32-V87 HydrophobicContact SD-CG1 3.58Å; M32-V87 VanDerWaalsContact SD-CG1 3.58Å; M32-V87 HydrophobicContact SD-CG2 4.46Å; L50-V87 HydrophobicContact CD2-CG1 4.31Å; L50-V87 HydrophobicContact CD2-CG2 4.07Å; F53-V87 HydrophobicContact CB-CG2 3.4Å; F53-V87 VanDerWaalsContact CB-CG2 3.4Å; F53-V87 HydrophobicContact CD1-CG2 4.25Å; F53-V87 HydrophobicContact CD2-CG2 3.79Å; F53-V87 HydrophobicContact CG-CG2 3.54Å; F78-V87 HydrophobicContact CE2-CG2 4.33Å; F78-V87 HydrophobicContact CZ-CG2 3.96Å; S83-V87 WeakPolarHBondContact O-CG2 3.39Å; S83-V87 PolarHBondContact O-N 2.86Å; S83-V87 VanDerWaalsContact O-N 3.12Å; V84-V87 PolarHBondContact O-N 2.87Å; D85-V87 VanDerWaalsContact C-N 3.32Å; D85-V87 PolarHBondContact O-N 2.88Å; V87-E89 PolarHBondContact O-N 3.48Å; V87-L90 PolarHBondContact O-N 3.04Å; V87-L90 VanDerWaalsContact O-N 3.1Å; V87-H93 PolarHBondContact O-CE1 2.59Å; V87-H93 PolarHBondContact O-NE2 3.29Å; V87-P102 HydrophobicContact CG1-CB 3.57Å; V87-P102 HydrophobicContact CG1-CG 3.63Å |
| 88 | L | 88.3 | Confident | 87 | Confident | 61 Ų | 61 | 78 Ų | 78 | 32% | 0.319 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.4 | -22 | -177.9 | -67 | 170.4 | 0 | 0 | 0 | 114.6 | M32 V84 D85 L90 P102 R104 | M32-L88 HydrophobicContact CE-CD1 4.44Å; M32-L88 HydrophobicContact CE-CD2 4.29Å; M32-L88 HydrophobicContact CE-CG 3.95Å; V84-L88 HydrophobicContact CG1-CD1 3.98Å; V84-L88 VanDerWaalsContact O-CG 3.28Å; V84-L88 WeakPolarHBondContact O-CG 3.43Å; V84-L88 PolarHBondContact O-N 3.07Å; D85-L88 CarbonylContact O-C 3.58Å; D85-L88 PolarHBondContact O-N 2.96Å; D85-L88 VanDerWaalsContact O-N 3.14Å; L88-L90 PolarHBondContact O-N 3.36Å; L88-P102 VanDerWaalsContact CD2-O 3.26Å; L88-P102 WeakPolarHBondContact CD2-O 3.37Å; L88-R104 HydrophobicContact CD1-CG 3.61Å |
| 89 | E | 88.4 | Confident | 86.9 | Confident | 162 Ų | 162 | 83.2 Ų | 83.2 | 76% | 0.757 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -63.8 | -31.1 | 174.3 | -172.1 | 171.2 | -161.7 | 0 | 0 | 111.6 | D85 V87 K91 | D85-E89 WeakPolarHBondContact O-CB 3.35Å; D85-E89 PolarHBondContact O-N 2.81Å; V87-E89 PolarHBondContact O-N 3.48Å; E89-K91 PolarHBondContact O-N 3.28Å |
| 90 | L | 85.8 | Confident | 87.2 | Confident | 81 Ų | 81 | 76.7 Ų | 76.7 | 42% | 0.424 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -78.4 | 118.7 | 170 | -69.3 | -178.9 | 0 | 0 | 0 | 110.3 | F53 V87 L88 E92 H93 | F53-L90 HydrophobicContact CD1-CD1 4.46Å; F53-L90 HydrophobicContact CE1-CD1 3.26Å; F53-L90 HydrophobicContact CE1-CG 4.24Å; F53-L90 HydrophobicContact CZ-CD1 3.36Å; V87-L90 PolarHBondContact O-N 3.04Å; V87-L90 VanDerWaalsContact O-N 3.1Å; L88-L90 PolarHBondContact O-N 3.36Å; L90-E92 VanDerWaalsContact C-N 3.27Å; L90-E92 PolarHBondContact O-N 2.61Å; L90-H93 PolarHBondContact O-NE2 3.43Å |
| 91 | K | 77.5 | Confident | 87.3 | Confident | 208 Ų | 208 | 76.3 Ų | 76.3 | 90% | 0.904 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -67.4 | -26.7 | 178.2 | -76.1 | -174.8 | 175.6 | 179.3 | 0 | 113.9 | E89 | E89-K91 PolarHBondContact O-N 3.28Š|
| 92 | E | 86.4 | Confident | 87.4 | Confident | 153 Ų | 153 | 74.3 Ų | 74.3 | 72% | 0.715 | 37% | 0.367 | S | S | * | . | trans | -136.6 | 125.8 | -174.6 | -63.8 | -173.1 | 150.2 | 0 | 0 | 110.7 | L90 | L90-E92 VanDerWaalsContact C-N 3.27Å; L90-E92 PolarHBondContact O-N 2.61Å | ||
| 93 | H | 87.3 | Confident | 87.5 | Confident | 2 Ų | 2 | 72.9 Ų | 72.9 | 1% | 0.009 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 138 | 173.6 | -66.9 | -90 | 0 | 0 | 0 | 109.7 | Y49 V87 L90 L99 I100 P102 | Y49-H93 HydrophobicContact CE1-CB 4.23Å; Y49-H93 AromaticContact CE1-ND1 3.71Å; Y49-H93 AromaticContact CZ-ND1 3.9Å; Y49-H93 PolarHBondContact OH-ND1 3.46Å; V87-H93 PolarHBondContact O-CE1 2.59Å; V87-H93 PolarHBondContact O-NE2 3.29Å; L90-H93 PolarHBondContact O-NE2 3.43Å; H93-L99 CarbonylContact O-C 3.6Å; H93-L99 VanDerWaalsContact O-CA 3.28Å; H93-L99 WeakPolarHBondContact O-CA 3.03Å; H93-I100 HydrophobicContact CB-CD1 3.79Å; H93-I100 HydrophobicContact CB-CG1 3.25Å; H93-I100 PolarHBondContact O-N 3.18Å; H93-P102 WeakPolarHBondContact CD2-CG 3.34Å; H93-P102 WeakPolarHBondContact NE2-CG 3.15Å |
| 94 | K | 88.1 | Confident | 87.4 | Confident | 133 Ų | 133 | 78.6 Ų | 78.6 | 58% | 0.578 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 124.7 | -179.7 | -168.8 | 175.7 | 178.2 | 176.5 | 0 | 110.1 | G97 K98 L99 | K94-G97 WeakPolarHBondContact CE-O 3.33Å; K94-K98 CarbonylContact C-O 3.54Å; K94-K98 VanDerWaalsContact CA-O 3.26Å; K94-K98 WeakPolarHBondContact CA-O 3.1Å; K94-K98 WeakPolarHBondContact CG-O 3.19Å; K94-L99 HydrophobicContact CB-CD2 4.3Å |
| 95 | L | 87.4 | Confident | 87.2 | Confident | 15 Ų | 15 | 78.9 Ų | 78.9 | 8% | 0.079 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 132.8 | 177.4 | -169.8 | 66.4 | 0 | 0 | 0 | 108.7 | L37 T41 L46 Y49 G97 K98 I100 | L37-L95 HydrophobicContact CD2-CD2 4.16Å; T41-L95 HydrophobicContact CG2-CD2 3.56Å; T41-L95 HydrophobicContact CG2-CG 4.36Å; L46-L95 HydrophobicContact CB-CD2 4.44Å; L46-L95 HydrophobicContact CD1-CD2 3.97Å; Y49-L95 HydrophobicContact CD2-CD1 4.02Å; Y49-L95 HydrophobicContact CG-CD1 3.86Å; L95-G97 PolarHBondContact O-N 2.95Å; L95-G97 VanDerWaalsContact O-N 3.11Å; L95-K98 PolarHBondContact N-O 2.96Å; L95-K98 PolarHBondContact O-N 3.3Å; L95-K98 VanDerWaalsContact O-O 3.04Å; L95-I100 HydrophobicContact CB-CD1 4.27Å; L95-I100 HydrophobicContact CB-CG2 3.74Å |
| 96 | D | 83.7 | Confident | 86.7 | Confident | 84 Ų | 84 | 84.5 Ų | 84.5 | 45% | 0.449 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51 | 36.7 | -179.9 | -51.6 | -33.2 | 0 | 0 | 0 | 114.6 | T41 K98 | T41-D96 WeakPolarHBondContact CA-OD2 2.87Å; T41-D96 VanDerWaalsContact CB-OD2 3.29Å; T41-D96 WeakPolarHBondContact CB-OD2 3.48Å; T41-D96 WeakPolarHBondContact CG2-OD2 3.29Å; T41-D96 PolarHBondContact OG1-OD2 2.81Å; D96-K98 PolarHBondContact O-N 3.2Å |
| 97 | G | 82.4 | Confident | 85.6 | Confident | 59 Ų | 59 | 80.7 Ų | 80.7 | 61% | 0.608 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.2 | -6.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115 | K94 L95 | K94-G97 WeakPolarHBondContact CE-O 3.33Å; L95-G97 PolarHBondContact O-N 2.95Å; L95-G97 VanDerWaalsContact O-N 3.11Å |
| 98 | K | 87.9 | Confident | 84.3 | Confident | 83 Ų | 83 | 86.8 Ų | 86.8 | 36% | 0.361 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 148.5 | 176.8 | -77.8 | -177.3 | 178.7 | 161.4 | 0 | 112.3 | S38 K94 L95 D96 | S38-K98 PolarHBondContact OG-NZ 3.03Å; K94-K98 CarbonylContact C-O 3.54Å; K94-K98 VanDerWaalsContact CA-O 3.26Å; K94-K98 WeakPolarHBondContact CA-O 3.1Å; K94-K98 WeakPolarHBondContact CG-O 3.19Å; L95-K98 PolarHBondContact N-O 2.96Å; L95-K98 PolarHBondContact O-N 3.3Å; L95-K98 VanDerWaalsContact O-O 3.04Å; D96-K98 PolarHBondContact O-N 3.2Å |
| 99 | L | 88.9 | Confident | 82.5 | Confident | 113 Ų | 113 | 92.9 Ų | 92.9 | 59% | 0.592 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 123.6 | 170.8 | -69.9 | 171.4 | 0 | 0 | 0 | 109.1 | H93 K94 | H93-L99 CarbonylContact O-C 3.6Å; H93-L99 VanDerWaalsContact O-CA 3.28Å; H93-L99 WeakPolarHBondContact O-CA 3.03Å; K94-L99 HydrophobicContact CB-CD2 4.3Å |
| 100 | I | 91.9 | Very high | 80.6 | Confident | 9 Ų | 9 | 86.3 Ų | 86.3 | 5% | 0.046 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 148.4 | 174.4 | 70.6 | 175.5 | 0 | 0 | 0 | 109 | I34 G35 L37 Y49 H93 L95 P102 | I34-I100 HydrophobicContact CG2-CB 4.09Å; I34-I100 HydrophobicContact CG2-CD1 3.99Å; I34-I100 HydrophobicContact CG2-CG1 4.4Å; G35-I100 CarbonylContact O-C 3.54Å; G35-I100 WeakPolarHBondContact O-CA 3.25Å; L37-I100 HydrophobicContact CD2-CB 4.47Å; L37-I100 HydrophobicContact CD2-CG2 3.84Å; Y49-I100 HydrophobicContact CD1-CD1 4.13Å; Y49-I100 HydrophobicContact CE1-CD1 3.86Å; H93-I100 HydrophobicContact CB-CD1 3.79Å; H93-I100 HydrophobicContact CB-CG1 3.25Å; H93-I100 PolarHBondContact O-N 3.18Å; L95-I100 HydrophobicContact CB-CD1 4.27Å; L95-I100 HydrophobicContact CB-CG2 3.74Å; I100-P102 VanDerWaalsContact O-CD 3.3Å; I100-P102 WeakPolarHBondContact O-CD 3.44Å |
| 101 | D | 89.3 | Confident | 79 | Confident | 72 Ų | 72 | 91.9 Ų | 91.9 | 39% | 0.385 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 85.7 | -175.9 | 179.4 | 30.4 | 0 | 0 | 0 | 108.9 | G35 K103 | G35-D101 PolarHBondContact N-O 3.49Å; G35-D101 PolarHBondContact O-N 3.09Å; D101-K103 WeakPolarHBondContact OD1-CE 3.39Å; D101-K103 IonicContact OD1-NZ 2.84Å; D101-K103 WeakPolarHBondContact OD2-CE 3.2Å; D101-K103 IonicContact OD2-NZ 3.77Å; D101-K103 PolarHBondContact OD2-NZ 2.66Å |
| 102 | P | 89.8 | Confident | 77.7 | Confident | 12 Ų | 12 | 88 Ų | 88 | 8% | 0.078 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 130.4 | 174.5 | 25.5 | -26.3 | 0 | 0 | 0 | 110.3 | M32 F33 I34 V87 L88 H93 I100 | M32-P102 HydrophobicContact CE-CB 4.32Å; M32-P102 HydrophobicContact CG-CB 4.34Å; M32-P102 HydrophobicContact SD-CB 3.47Å; M32-P102 WeakPolarHBondContact SD-CB 3.16Å; F33-P102 CarbonylContact O-C 3.49Å; F33-P102 WeakPolarHBondContact O-CA 3.24Å; I34-P102 HydrophobicContact CD1-CB 3.77Å; V87-P102 HydrophobicContact CG1-CB 3.57Å; V87-P102 HydrophobicContact CG1-CG 3.63Å; L88-P102 VanDerWaalsContact CD2-O 3.26Å; L88-P102 WeakPolarHBondContact CD2-O 3.37Å; H93-P102 WeakPolarHBondContact CD2-CG 3.34Å; H93-P102 WeakPolarHBondContact NE2-CG 3.15Å; I100-P102 VanDerWaalsContact O-CD 3.3Å; I100-P102 WeakPolarHBondContact O-CD 3.44Å |
| 103 | K | 89.5 | Confident | 76.2 | Confident | 108 Ų | 108 | 83.3 Ų | 83.3 | 47% | 0.47 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 148.6 | 176.6 | -73.6 | 172.9 | 170.4 | 155.8 | 0 | 108.8 | M32 F33 D101 A105 | M32-K103 VanDerWaalsContact CG-O 3.24Å; M32-K103 WeakPolarHBondContact CG-O 3.46Å; F33-K103 HydrophobicContact CD1-CB 4.33Å; F33-K103 PolarHBondContact N-O 3.32Å; F33-K103 PolarHBondContact O-N 2.8Å; F33-K103 VanDerWaalsContact O-O 3.1Å; D101-K103 WeakPolarHBondContact OD1-CE 3.39Å; D101-K103 IonicContact OD1-NZ 2.84Å; D101-K103 WeakPolarHBondContact OD2-CE 3.2Å; D101-K103 IonicContact OD2-NZ 3.77Å; D101-K103 PolarHBondContact OD2-NZ 2.66Å; K103-A105 PolarHBondContact O-N 3.43Å |
| 104 | R | 88.1 | Confident | 74.9 | Confident | 119 Ų | 119 | 85.2 Ų | 85.2 | 45% | 0.449 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.9 | 129.7 | 169.1 | -63.7 | -164.2 | -171.8 | -93.8 | 4.8 | 109.2 | V84 D85 L88 K106 | V84-R104 HydrophobicContact CG1-CG 4.01Å; D85-R104 IonicContact OD1-CZ 3.06Å; D85-R104 IonicContact OD1-NH1 2.83Å; D85-R104 PolarHBondContact OD1-NH1 2.91Å; D85-R104 IonicContact OD1-NH2 2.57Å; D85-R104 PolarHBondContact OD1-NH2 2.6Å; L88-R104 HydrophobicContact CD1-CG 3.61Å; R104-K106 PolarHBondContact O-N 3.33Å |
| 105 | A | 83.1 | Confident | 74.3 | Confident | 6 Ų | 6 | 83 Ų | 83 | 5% | 0.05 | 42% | 0.417 | C | S | . | . | trans | -66 | 114.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | K31 F75 K103 A107 | K31-A105 HydrophobicContact CB-CB 3.84Å; K31-A105 HydrophobicContact CD-CB 3.81Å; K31-A105 HydrophobicContact CG-CB 3.52Å; K31-A105 WeakPolarHBondContact O-CB 3.5Å; K31-A105 PolarHBondContact O-N 3Å; F75-A105 HydrophobicContact CD1-CB 4.29Å; F75-A105 HydrophobicContact CE1-CB 4.47Å; K103-A105 PolarHBondContact O-N 3.43Å; A105-A107 PolarHBondContact O-N 3.15Å | ||
| 106 | K | 78.1 | Confident | 74.2 | Confident | 186 Ų | 186 | 85 Ų | 85 | 81% | 0.809 | 43% | 0.425 | S | S | * | . | trans | -67.1 | 127.7 | 162.4 | -65 | -177.1 | -179.4 | -179.3 | 0 | 105.3 | R104 M108 | R104-K106 PolarHBondContact O-N 3.33Å; K106-M108 PolarHBondContact O-N 3.41Å | ||
| 107 | A | 67.6 | Low | 74.4 | Confident | 28 Ų | 28 | 81 Ų | 81 | 23% | 0.231 | 40% | 0.404 | C | S | . | . | trans | -48 | 120.9 | 157.5 | 0 | 0 | 0 | 0 | 0 | 104.8 | Q27 A105 K109 | Q27-A107 HydrophobicContact CB-CB 4.26Å; A105-A107 PolarHBondContact O-N 3.15Å; A107-K109 PolarHBondContact O-N 2.87Å | ||
| 108 | M | 60.7 | Low | 74.6 | Confident | 129 Ų | 129 | 80.7 Ų | 80.7 | 64% | 0.635 | 39% | 0.386 | S | S | * | . | trans | -55.8 | 115.5 | 153.1 | -79.3 | -171.2 | 129.6 | 0 | 0 | 101.1 | K106 G110 | K106-M108 PolarHBondContact O-N 3.41Å; M108-G110 PolarHBondContact O-N 2.79Å | ||
| 109 | K | 51.5 | Low | 74.7 | Confident | 188 Ų | 188 | 76.8 Ų | 76.8 | 82% | 0.817 | 37% | 0.369 | S | S | * | . | trans | -55.9 | 80.5 | 147.6 | -71.8 | -174.1 | 178.3 | -171.7 | 0 | 102.2 | A107 K111 | A107-K109 PolarHBondContact O-N 2.87Å; K109-K111 VanDerWaalsContact C-N 3.32Å; K109-K111 PolarHBondContact O-N 3.09Å | ||
| 110 | G | 47.6 | Very low | 74.6 | Confident | 24 Ų | 24 | 71.7 Ų | 71.7 | 25% | 0.247 | 34% | 0.344 | C | S | . | . | trans | -47.8 | 117.3 | 164.2 | 0 | 0 | 0 | 0 | 0 | 100 | M108 E112 | M108-G110 PolarHBondContact O-N 2.79Å; G110-E112 VanDerWaalsContact C-N 3.25Å; G110-E112 VanDerWaalsContact O-CA 3.3Å; G110-E112 WeakPolarHBondContact O-CA 2.9Å; G110-E112 PolarHBondContact O-N 2.95Å | ||
| 111 | K | 52.4 | Low | 74.1 | Confident | 199 Ų | 199 | 73.5 Ų | 73.5 | 87% | 0.865 | 37% | 0.365 | S | S | * | . | trans | -30.6 | 105.2 | 176.9 | -76.8 | 176 | 174.3 | 179.4 | 0 | 104.3 | K109 | K109-K111 VanDerWaalsContact C-N 3.32Å; K109-K111 PolarHBondContact O-N 3.09Å | ||
| 112 | E | 49.6 | Very low | 73.9 | Confident | 127 Ų | 127 | 70.6 Ų | 70.6 | 59% | 0.593 | 35% | 0.349 | S | S | * | . | trans | -50.5 | 128.2 | -173.4 | -76 | 176 | -173.9 | 0 | 0 | 103.4 | G110 P114 | G110-E112 VanDerWaalsContact C-N 3.25Å; G110-E112 VanDerWaalsContact O-CA 3.3Å; G110-E112 WeakPolarHBondContact O-CA 2.9Å; G110-E112 PolarHBondContact O-N 2.95Å; E112-P114 WeakPolarHBondContact O-CA 3.46Å; E112-P114 VanDerWaalsContact O-CD 3.32Å; E112-P114 WeakPolarHBondContact O-CD 3.41Å | ||
| 113 | P | 54.4 | Low | 73.4 | Confident | 54 Ų | 54 | 71.3 Ų | 71.3 | 35% | 0.351 | 35% | 0.354 | S | S | . | . | trans | -46.5 | 114.8 | 179.6 | 14.7 | -25.2 | 0 | 0 | 0 | 104.4 | K115 E166 | P113-K115 PolarHBondContact O-N 3.26Å; P113-E166 HydrophobicContact CB-CB 4.34Å; P113-E166 WeakPolarHBondContact CB-OE2 3.46Å; P113-E166 HydrophobicContact CG-CB 4.06Å; P113-E166 HydrophobicContact CG-CG 4.48Å; P113-E166 WeakPolarHBondContact CG-OE2 3.5Å | ||
| 114 | P | 60.6 | Low | 72.8 | Confident | 42 Ų | 42 | 69.1 Ų | 69.1 | 27% | 0.273 | 35% | 0.352 | S | S | . | . | trans | -64.4 | 107.5 | -150.2 | 12.4 | -23.8 | 0 | 0 | 0 | 106.7 | E112 K116 V189 | E112-P114 WeakPolarHBondContact O-CA 3.46Å; E112-P114 VanDerWaalsContact O-CD 3.32Å; E112-P114 WeakPolarHBondContact O-CD 3.41Å; P114-K116 CarbonylContact O-C 3.57Å; P114-K116 PolarHBondContact O-N 3.17Å; P114-V189 HydrophobicContact CB-CG1 4.26Å; P114-V189 HydrophobicContact CG-CB 4.28Å; P114-V189 HydrophobicContact CG-CG1 3.31Å; P114-V189 HydrophobicContact CG-CG2 4.27Å | ||
| 115 | K | 76.1 | Confident | 72.4 | Confident | 85 Ų | 85 | 69.8 Ų | 69.8 | 37% | 0.37 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -57.4 | -18.2 | 176.6 | -62.6 | -170 | 179.7 | -159.5 | 0 | 110.7 | P113 T162 Y163 C164 | P113-K115 PolarHBondContact O-N 3.26Å; K115-T162 HydrophobicContact CB-CG2 4.25Å; K115-T162 CarbonylContact O-C 3.6Å; K115-T162 VanDerWaalsContact O-CA 3.3Å; K115-T162 WeakPolarHBondContact O-CA 3.28Å; K115-Y163 WeakPolarHBondContact CB-O 3.29Å; K115-Y163 PolarHBondContact O-N 3.16Å; K115-C164 PolarHBondContact NZ-O 3.01Å |
| 116 | K | 84.4 | Confident | 72.3 | Confident | 58 Ų | 58 | 69.7 Ų | 69.7 | 25% | 0.252 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 124.8 | 174.1 | -163.5 | 167.5 | -175.9 | 166.6 | 0 | 112.1 | P114 E145 F160 V161 A190 | P114-K116 CarbonylContact O-C 3.57Å; P114-K116 PolarHBondContact O-N 3.17Å; K116-E145 IonicContact NZ-OE1 2.69Å; K116-E145 PolarHBondContact NZ-OE1 3.46Å; K116-E145 IonicContact NZ-OE2 2.65Å; K116-E145 PolarHBondContact NZ-OE2 2.85Å; K116-F160 HydrophobicContact CD-CB 4.22Å; K116-F160 HydrophobicContact CD-CD1 4.44Å; K116-F160 VanDerWaalsContact CE-CG 3.4Å; K116-F160 HydrophobicContact CG-CB 4.04Å; K116-F160 HydrophobicContact CG-CD1 4.34Å; K116-V161 CarbonylContact C-O 3.58Å; K116-V161 WeakPolarHBondContact CA-O 3.49Å; K116-A190 HydrophobicContact CB-CB 3.94Å; K116-A190 HydrophobicContact CD-CB 4.37Å; K116-A190 HydrophobicContact CG-CB 3.75Å; K116-A190 WeakPolarHBondContact O-CB 3.08Å; K116-A190 PolarHBondContact O-N 2.79Å |
| 117 | V | 87.5 | Confident | 72.5 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.006 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 138.3 | 177.3 | -176.9 | 0 | 0 | 0 | 0 | 108.9 | V119 F160 V161 Y163 V169 I187 | V117-V119 HydrophobicContact CG1-CG2 4.28Å; V117-F160 CarbonylContact O-C 3.6Å; V117-F160 VanDerWaalsContact O-CA 3.23Å; V117-F160 WeakPolarHBondContact O-CA 3.48Å; V117-V161 PolarHBondContact N-O 2.87Å; V117-V161 PolarHBondContact O-N 3.44Å; V117-Y163 HydrophobicContact CG2-CD2 4.3Å; V117-Y163 HydrophobicContact CG2-CE2 4.16Å; V117-V169 HydrophobicContact CG2-CB 4.02Å; V117-V169 HydrophobicContact CG2-CG1 3.65Å; V117-V169 HydrophobicContact CG2-CG2 3.59Å; V117-I187 HydrophobicContact CG1-CG2 3.3Å |
| 118 | F | 88.4 | Confident | 73.4 | Confident | 52 Ų | 52 | 65 Ų | 65 | 23% | 0.228 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 126.1 | 168.1 | 171.7 | -90.6 | 0 | 0 | 0 | 108.9 | F158 F160 I187 K188 A190 | F118-F158 HydrophobicContact CD2-CD2 4.21Å; F118-F158 HydrophobicContact CE2-CB 3.66Å; F118-F158 HydrophobicContact CE2-CD1 4.49Å; F118-F158 AromaticContact CE2-CD2 3.55Å; F118-F158 HydrophobicContact CE2-CD2 3.55Å; F118-F158 HydrophobicContact CE2-CE2 4.31Å; F118-F158 AromaticContact CE2-CG 3.68Å; F118-F158 HydrophobicContact CE2-CG 3.68Å; F118-F158 HydrophobicContact CZ-CB 3.74Å; F118-F158 HydrophobicContact CZ-CD2 4.43Å; F118-F158 HydrophobicContact CZ-CG 4.11Å; F118-F160 HydrophobicContact CB-CD1 4.19Å; F118-F160 HydrophobicContact CB-CE1 4.12Å; F118-F160 HydrophobicContact CD2-CD1 4.18Å; F118-F160 AromaticContact CD2-CE1 3.62Å; F118-F160 HydrophobicContact CD2-CE1 3.62Å; F118-F160 AromaticContact CD2-CZ 3.97Å; F118-F160 HydrophobicContact CD2-CZ 3.97Å; F118-F160 HydrophobicContact CG-CE1 4.37Å; F118-I187 WeakPolarHBondContact O-CA 3.47Å; F118-K188 HydrophobicContact CB-CB 4.37Å; F118-K188 HydrophobicContact CD1-CB 4.07Å; F118-K188 PolarHBondContact N-O 2.95Å; F118-K188 PolarHBondContact O-N 2.73Å; F118-A190 HydrophobicContact CB-CB 4.43Å |
| 119 | V | 88.5 | Confident | 74.6 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 103.6 | 176.3 | -174.8 | 0 | 0 | 0 | 0 | 107.5 | V117 L122 F135 F158 C159 V161 C185 E186 | V117-V119 HydrophobicContact CG1-CG2 4.28Å; V119-L122 HydrophobicContact CB-CD1 4.26Å; V119-L122 HydrophobicContact CG1-CD1 3.81Å; V119-L122 HydrophobicContact CG1-CD2 4.09Å; V119-L122 HydrophobicContact CG1-CG 3.89Å; V119-F135 HydrophobicContact CB-CZ 4.28Å; V119-F135 HydrophobicContact CG1-CE2 4Å; V119-F135 HydrophobicContact CG1-CZ 3.64Å; V119-F135 HydrophobicContact CG2-CE1 4.11Å; V119-F135 HydrophobicContact CG2-CE2 4.08Å; V119-F135 HydrophobicContact CG2-CZ 3.63Å; V119-F158 CarbonylContact O-C 3.48Å; V119-F158 WeakPolarHBondContact O-CA 3.25Å; V119-F158 WeakPolarHBondContact O-CB 3.3Å; V119-C159 PolarHBondContact N-O 3.19Å; V119-C159 PolarHBondContact O-N 2.77Å; V119-V161 HydrophobicContact CG2-CG2 4.14Å; V119-C185 HydrophobicContact CG1-CB 3.65Å; V119-E186 WeakPolarHBondContact CA-O 3.27Å |
| 120 | G | 86.7 | Confident | 76.3 | Confident | 7 Ų | 7 | 59.8 Ų | 59.8 | 7% | 0.072 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 160.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | C185 E186 | G120-C185 CarbonylContact O-C 3.4Å; G120-C185 WeakPolarHBondContact O-CA 3.19Å; G120-C185 VanDerWaalsContact O-CB 3.29Å; G120-C185 WeakPolarHBondContact O-CB 3.11Å; G120-E186 PolarHBondContact N-O 2.64Å; G120-E186 PolarHBondContact O-N 3.33Å |
| 121 | G | 82.8 | Confident | 78.1 | Confident | 47 Ų | 47 | 58.7 Ų | 58.7 | 49% | 0.485 | 31% | 0.308 | S | S | . | . | S | Bend | trans | 77.8 | 19.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | G157 | G121-G157 PolarHBondContact N-O 2.86Š|
| 122 | L | 83.8 | Confident | 79.9 | Confident | 11 Ų | 11 | 55.3 Ų | 55.3 | 6% | 0.058 | 29% | 0.29 | C | S | . | . | trans | -71.1 | 143.5 | 170.5 | -70.5 | 169.1 | 0 | 0 | 0 | 109.8 | V119 I131 G157 C159 V180 C185 | V119-L122 HydrophobicContact CB-CD1 4.26Å; V119-L122 HydrophobicContact CG1-CD1 3.81Å; V119-L122 HydrophobicContact CG1-CD2 4.09Å; V119-L122 HydrophobicContact CG1-CG 3.89Å; L122-I131 HydrophobicContact CD1-CD1 3.81Å; L122-I131 HydrophobicContact CD1-CG1 4.39Å; L122-G157 PolarHBondContact N-O 3.3Å; L122-G157 WeakPolarHBondContact O-CA 3.15Å; L122-C159 HydrophobicContact CD1-CB 3.91Å; L122-C159 WeakPolarHBondContact CD1-SG 3.25Å; L122-V180 HydrophobicContact CD2-CB 4.01Å; L122-V180 HydrophobicContact CD2-CG1 4.27Å; L122-C185 HydrophobicContact CD2-CB 3.82Å; L122-C185 HydrophobicContact CG-CB 4.17Å | ||
| 123 | S | 80.8 | Confident | 81.7 | Confident | 26 Ų | 26 | 56.6 Ų | 56.6 | 18% | 0.182 | 30% | 0.296 | C | S | . | . | trans | -66.4 | 139 | 171.5 | -172.4 | 0 | 0 | 0 | 0 | 109.1 | D125 T126 | S123-D125 PolarHBondContact O-N 2.81Å; S123-T126 WeakPolarHBondContact CB-OG1 3.3Å; S123-T126 WeakPolarHBondContact O-CB 3.32Å; S123-T126 PolarHBondContact O-N 2.8Å; S123-T126 PolarHBondContact O-OG1 3.09Å | ||
| 124 | P | 76.2 | Confident | 83.3 | Confident | 63 Ų | 63 | 57.6 Ų | 57.6 | 41% | 0.409 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -23.6 | 176.7 | 25.5 | -34.5 | 0 | 0 | 0 | 112.6 | T126 R155 | P124-T126 VanDerWaalsContact C-N 3.34Å; P124-R155 HydrophobicContact CB-CB 4.19Å; P124-R155 VanDerWaalsContact O-CD 3.29Å; P124-R155 WeakPolarHBondContact O-CD 3.19Å; P124-R155 PolarHBondContact O-NH1 3.41Å |
| 125 | D | 79.4 | Confident | 84.6 | Confident | 132 Ų | 132 | 55.6 Ų | 55.6 | 71% | 0.706 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -14.8 | 177.6 | -59.1 | -42.5 | 0 | 0 | 0 | 113.3 | S123 P127 | S123-D125 PolarHBondContact O-N 2.81Å; D125-P127 VanDerWaalsContact O-CD 3.29Å; D125-P127 WeakPolarHBondContact O-CD 3.25Å |
| 126 | T | 80.8 | Confident | 85.1 | Confident | 4 Ų | 4 | 53.1 Ų | 53.1 | 3% | 0.025 | 28% | 0.279 | C | S | . | . | trans | -68.3 | 115.4 | -177.6 | -60.8 | 0 | 0 | 0 | 0 | 110.8 | S123 P124 E130 I131 R155 V180 | S123-T126 WeakPolarHBondContact CB-OG1 3.3Å; S123-T126 WeakPolarHBondContact O-CB 3.32Å; S123-T126 PolarHBondContact O-N 2.8Å; S123-T126 PolarHBondContact O-OG1 3.09Å; P124-T126 VanDerWaalsContact C-N 3.34Å; T126-E130 HydrophobicContact CG2-CB 4.36Å; T126-E130 HydrophobicContact CG2-CG 4.44Å; T126-I131 HydrophobicContact CG2-CD1 4.12Å; T126-I131 HydrophobicContact CG2-CG1 3.8Å; T126-R155 PolarHBondContact O-NH1 3.49Å; T126-V180 HydrophobicContact CG2-CG1 4.16Å | ||
| 127 | P | 83.5 | Confident | 85.2 | Confident | 46 Ų | 46 | 54.6 Ų | 54.6 | 30% | 0.299 | 30% | 0.302 | S | S | . | . | trans | -70.8 | 159.3 | -180 | 31.3 | -35 | 0 | 0 | 0 | 112.3 | D125 E129 E130 I131 | D125-P127 VanDerWaalsContact O-CD 3.29Å; D125-P127 WeakPolarHBondContact O-CD 3.25Å; P127-E129 WeakPolarHBondContact CB-OE2 3.21Å; P127-E129 PolarHBondContact O-N 3.29Å; P127-E130 WeakPolarHBondContact CD-OE2 3.44Å; P127-E130 HydrophobicContact CG-CB 3.92Å; P127-E130 PolarHBondContact O-N 2.78Å; P127-I131 PolarHBondContact O-N 3.16Å | ||
| 128 | E | 85.3 | Confident | 85 | Confident | 71 Ų | 71 | 57.5 Ų | 57.5 | 33% | 0.332 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.1 | -34.5 | 179 | -179.3 | 178 | 152.8 | 0 | 0 | 111.2 | E130 I131 R132 I144 L146 | E128-E130 VanDerWaalsContact C-N 3.32Å; E128-E130 PolarHBondContact O-N 3.07Å; E128-I131 CarbonylContact O-C 3.58Å; E128-I131 WeakPolarHBondContact O-CB 3.48Å; E128-I131 PolarHBondContact O-N 3.02Å; E128-R132 WeakPolarHBondContact O-CB 3.36Å; E128-R132 PolarHBondContact O-N 3.27Å; E128-I144 HydrophobicContact CG-CB 4.33Å; E128-I144 HydrophobicContact CG-CD1 4.07Å; E128-I144 HydrophobicContact CG-CG2 4.22Å; E128-L146 HydrophobicContact CB-CD1 3.7Å; E128-L146 HydrophobicContact CG-CD1 3.69Å |
| 129 | E | 86.8 | Confident | 84.9 | Confident | 137 Ų | 137 | 55.9 Ų | 55.9 | 64% | 0.64 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -59.3 | -43.2 | -179.4 | -65.8 | 75.7 | -170.1 | 0 | 0 | 111.4 | P127 R132 E133 | P127-E129 WeakPolarHBondContact CB-OE2 3.21Å; P127-E129 PolarHBondContact O-N 3.29Å; E129-R132 PolarHBondContact O-N 3.25Å; E129-E133 WeakPolarHBondContact O-CB 3.23Å; E129-E133 PolarHBondContact O-N 3.25Å |
| 130 | E | 86.9 | Confident | 84.8 | Confident | 70 Ų | 70 | 61.9 Ų | 61.9 | 33% | 0.327 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68.5 | -38.3 | 178.1 | -176.7 | 173 | -163.1 | 0 | 0 | 111.6 | T126 P127 E128 Y134 V180 G181 | T126-E130 HydrophobicContact CG2-CB 4.36Å; T126-E130 HydrophobicContact CG2-CG 4.44Å; P127-E130 WeakPolarHBondContact CD-OE2 3.44Å; P127-E130 HydrophobicContact CG-CB 3.92Å; P127-E130 PolarHBondContact O-N 2.78Å; E128-E130 VanDerWaalsContact C-N 3.32Å; E128-E130 PolarHBondContact O-N 3.07Å; E130-Y134 WeakPolarHBondContact O-CB 3.5Å; E130-Y134 PolarHBondContact O-N 3.18Å; E130-V180 HydrophobicContact CG-CG1 4.31Å; E130-G181 WeakPolarHBondContact OE1-CA 3.39Å; E130-G181 PolarHBondContact OE1-N 3.33Å; E130-G181 VanDerWaalsContact OE1-N 3.09Å |
| 131 | I | 86.3 | Confident | 84.8 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.5 | -48.1 | 173.2 | -65.6 | 166.7 | 0 | 0 | 0 | 108.8 | L122 T126 P127 E128 E133 Y134 F135 I144 L146 V161 V180 | L122-I131 HydrophobicContact CD1-CD1 3.81Å; L122-I131 HydrophobicContact CD1-CG1 4.39Å; T126-I131 HydrophobicContact CG2-CD1 4.12Å; T126-I131 HydrophobicContact CG2-CG1 3.8Å; P127-I131 PolarHBondContact O-N 3.16Å; E128-I131 CarbonylContact O-C 3.58Å; E128-I131 WeakPolarHBondContact O-CB 3.48Å; E128-I131 PolarHBondContact O-N 3.02Å; I131-E133 PolarHBondContact O-N 3.44Å; I131-Y134 PolarHBondContact O-N 3.47Å; I131-F135 HydrophobicContact CB-CD2 4.36Å; I131-F135 HydrophobicContact CG2-CD2 3.49Å; I131-F135 VanDerWaalsContact CG2-CD2 3.49Å; I131-F135 HydrophobicContact CG2-CE2 3.89Å; I131-F135 VanDerWaalsContact O-CB 3.25Å; I131-F135 WeakPolarHBondContact O-CB 3.43Å; I131-F135 WeakPolarHBondContact O-CD2 3.38Å; I131-F135 PolarHBondContact O-N 3.29Å; I131-I144 HydrophobicContact CG2-CD1 4.26Å; I131-I144 HydrophobicContact CG2-CG2 4.33Å; I131-L146 HydrophobicContact CD1-CD2 3.7Å; I131-V161 HydrophobicContact CG2-CG2 4.31Å; I131-V180 HydrophobicContact CG1-CG1 4.25Å |
| 132 | R | 88.7 | Confident | 85 | Confident | 128 Ų | 128 | 65.1 Ų | 65.1 | 48% | 0.483 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.3 | -39.6 | -179.6 | -169.2 | 176 | -172.5 | 120 | 6.9 | 112.3 | E128 E129 G136 I141 I144 | E128-R132 WeakPolarHBondContact O-CB 3.36Å; E128-R132 PolarHBondContact O-N 3.27Å; E129-R132 PolarHBondContact O-N 3.25Å; R132-G136 WeakPolarHBondContact O-CA 3.4Å; R132-G136 PolarHBondContact O-N 2.82Å; R132-I141 HydrophobicContact CG-CD1 4.05Å; R132-I144 HydrophobicContact CB-CD1 3.68Å; R132-I144 HydrophobicContact CG-CD1 4.05Å |
| 133 | E | 88.5 | Confident | 84.9 | Confident | 155 Ų | 155 | 66.4 Ų | 66.4 | 72% | 0.724 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -65.7 | -48.1 | 177.2 | -174.4 | 174.1 | -172 | 0 | 0 | 111.2 | E129 I131 A137 | E129-E133 WeakPolarHBondContact O-CB 3.23Å; E129-E133 PolarHBondContact O-N 3.25Å; I131-E133 PolarHBondContact O-N 3.44Å; E133-A137 PolarHBondContact O-N 3.46Å |
| 134 | Y | 88.5 | Confident | 85.1 | Confident | 75 Ų | 75 | 66.2 Ų | 66.2 | 29% | 0.294 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.9 | -49.7 | 179.9 | -174.4 | -92.6 | 0 | 0 | 0 | 112.4 | E130 I131 A137 F138 H178 Q179 V180 | E130-Y134 WeakPolarHBondContact O-CB 3.5Å; E130-Y134 PolarHBondContact O-N 3.18Å; I131-Y134 PolarHBondContact O-N 3.47Å; Y134-A137 WeakPolarHBondContact O-CB 3.34Å; Y134-A137 PolarHBondContact O-N 3.18Å; Y134-F138 HydrophobicContact CD1-CE2 4.02Å; Y134-F138 AromaticContact CE1-CE2 3.65Å; Y134-F138 HydrophobicContact CE1-CE2 3.65Å; Y134-F138 HydrophobicContact CE1-CZ 4.21Å; Y134-F138 VanDerWaalsContact O-CD2 3.27Å; Y134-F138 WeakPolarHBondContact O-CD2 3.2Å; Y134-F138 WeakPolarHBondContact O-CE2 3.31Å; Y134-H178 HydrophobicContact CE1-CB 3.89Å; Y134-H178 AromaticContact CE1-ND1 3.52Å; Y134-H178 AromaticContact CZ-ND1 3.64Å; Y134-H178 PolarHBondContact OH-ND1 3.07Å; Y134-Q179 WeakPolarHBondContact CE2-O 3.45Å; Y134-V180 HydrophobicContact CD1-CG2 3.46Å; Y134-V180 VanDerWaalsContact CD1-CG2 3.46Å; Y134-V180 HydrophobicContact CD2-CG2 4.31Å; Y134-V180 HydrophobicContact CE1-CG2 3.75Å; Y134-V180 HydrophobicContact CG-CG2 3.76Å |
| 135 | F | 87.3 | Confident | 85.5 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -75 | -28.5 | -178.1 | -76.5 | -64.9 | 0 | 0 | 0 | 112.4 | V119 I131 A137 F138 I141 V161 Y163 L172 V180 I187 | V119-F135 HydrophobicContact CB-CZ 4.28Å; V119-F135 HydrophobicContact CG1-CE2 4Å; V119-F135 HydrophobicContact CG1-CZ 3.64Å; V119-F135 HydrophobicContact CG2-CE1 4.11Å; V119-F135 HydrophobicContact CG2-CE2 4.08Å; V119-F135 HydrophobicContact CG2-CZ 3.63Å; I131-F135 HydrophobicContact CB-CD2 4.36Å; I131-F135 HydrophobicContact CG2-CD2 3.49Å; I131-F135 VanDerWaalsContact CG2-CD2 3.49Å; I131-F135 HydrophobicContact CG2-CE2 3.89Å; I131-F135 VanDerWaalsContact O-CB 3.25Å; I131-F135 WeakPolarHBondContact O-CB 3.43Å; I131-F135 WeakPolarHBondContact O-CD2 3.38Å; I131-F135 PolarHBondContact O-N 3.29Å; F135-A137 PolarHBondContact O-N 2.98Å; F135-F138 WeakPolarHBondContact O-CB 3.37Å; F135-F138 PolarHBondContact O-N 2.78Å; F135-F138 VanDerWaalsContact O-N 3.07Å; F135-I141 HydrophobicContact CB-CD1 3.8Å; F135-V161 HydrophobicContact CB-CG1 4.46Å; F135-V161 HydrophobicContact CD2-CG2 4.24Å; F135-V161 HydrophobicContact CG-CG2 4.38Å; F135-Y163 VanDerWaalsContact CB-OH 3.23Å; F135-Y163 WeakPolarHBondContact CB-OH 3.49Å; F135-Y163 WeakPolarHBondContact CD1-OH 3.44Å; F135-Y163 PolarHBondContact O-OH 2.81Å; F135-L172 HydrophobicContact CD1-CD1 3.95Å; F135-L172 HydrophobicContact CD1-CD2 4.08Å; F135-L172 HydrophobicContact CE1-CD1 4.25Å; F135-L172 HydrophobicContact CE1-CD2 4.02Å; F135-V180 HydrophobicContact CE2-CG2 4.09Å; F135-V180 HydrophobicContact CZ-CG2 4.26Å; F135-I187 HydrophobicContact CE1-CD1 3.72Å; F135-I187 HydrophobicContact CZ-CD1 4.28Å |
| 136 | G | 85.3 | Confident | 85.8 | Confident | 33 Ų | 33 | 62.7 Ų | 62.7 | 34% | 0.34 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.7 | -26.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | R132 F138 G139 | R132-G136 WeakPolarHBondContact O-CA 3.4Å; R132-G136 PolarHBondContact O-N 2.82Å; G136-F138 PolarHBondContact O-N 3.31Å; G136-G139 WeakPolarHBondContact CA-O 3.27Å; G136-G139 PolarHBondContact O-N 3.27Å |
| 137 | A | 86.9 | Confident | 85.7 | Confident | 88 Ų | 88 | 64.3 Ų | 64.3 | 73% | 0.727 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -22 | 173 | 0 | 0 | 0 | 0 | 0 | 113.3 | E133 Y134 F135 | E133-A137 PolarHBondContact O-N 3.46Å; Y134-A137 WeakPolarHBondContact O-CB 3.34Å; Y134-A137 PolarHBondContact O-N 3.18Å; F135-A137 PolarHBondContact O-N 2.98Å |
| 138 | F | 84.1 | Confident | 85.5 | Confident | 62 Ų | 62 | 66.8 Ų | 66.8 | 27% | 0.272 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -24.1 | 178.1 | -64 | -91.4 | 0 | 0 | 0 | 112.8 | Y134 F135 G136 P168 L172 H178 | Y134-F138 HydrophobicContact CD1-CE2 4.02Å; Y134-F138 AromaticContact CE1-CE2 3.65Å; Y134-F138 HydrophobicContact CE1-CE2 3.65Å; Y134-F138 HydrophobicContact CE1-CZ 4.21Å; Y134-F138 VanDerWaalsContact O-CD2 3.27Å; Y134-F138 WeakPolarHBondContact O-CD2 3.2Å; Y134-F138 WeakPolarHBondContact O-CE2 3.31Å; F135-F138 WeakPolarHBondContact O-CB 3.37Å; F135-F138 PolarHBondContact O-N 2.78Å; F135-F138 VanDerWaalsContact O-N 3.07Å; G136-F138 PolarHBondContact O-N 3.31Å; F138-P168 HydrophobicContact CB-CB 4.21Å; F138-P168 WeakPolarHBondContact O-CB 3.37Å; F138-P168 WeakPolarHBondContact O-CG 2.89Å; F138-L172 HydrophobicContact CB-CD2 4.46Å; F138-L172 HydrophobicContact CB-CG 4.45Å; F138-L172 HydrophobicContact CD1-CD2 3.76Å; F138-L172 HydrophobicContact CD1-CG 4.23Å; F138-L172 HydrophobicContact CD2-CD2 3.8Å; F138-L172 HydrophobicContact CE1-CD2 3.86Å; F138-L172 HydrophobicContact CE2-CD2 3.91Å; F138-L172 HydrophobicContact CG-CD2 3.73Å; F138-L172 HydrophobicContact CG-CG 4.19Å; F138-L172 HydrophobicContact CZ-CD2 3.94Å; F138-H178 AromaticContact CZ-CE1 3.68Å; F138-H178 AromaticContact CZ-ND1 3.92Å |
| 139 | G | 85.4 | Confident | 85.1 | Confident | 19 Ų | 19 | 66.1 Ų | 66.1 | 20% | 0.196 | 35% | 0.349 | C | S | . | . | S | Bend | trans | 162.6 | -178.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | G136 I141 | G136-G139 WeakPolarHBondContact CA-O 3.27Å; G136-G139 PolarHBondContact O-N 3.27Å; G139-I141 PolarHBondContact O-N 2.99Å |
| 140 | D | 86.4 | Confident | 84.5 | Confident | 125 Ų | 125 | 66.3 Ų | 66.3 | 67% | 0.668 | 36% | 0.359 | S | S | * | . | trans | -69.9 | 119 | -174.9 | -65.7 | -41.9 | 0 | 0 | 0 | 112.2 | Y163 C164 | D140-Y163 WeakPolarHBondContact O-CA 3.23Å; D140-Y163 WeakPolarHBondContact O-CD1 3.07Å; D140-C164 HydrophobicContact CB-CB 4.36Å; D140-C164 PolarHBondContact O-N 3.37Å | ||
| 141 | I | 88.1 | Confident | 83.8 | Confident | 19 Ų | 19 | 72 Ų | 72 | 10% | 0.097 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 125.3 | 178.3 | -58.7 | 168.2 | 0 | 0 | 0 | 109.4 | R132 F135 G139 I144 V161 T162 Y163 | R132-I141 HydrophobicContact CG-CD1 4.05Å; F135-I141 HydrophobicContact CB-CD1 3.8Å; G139-I141 PolarHBondContact O-N 2.99Å; I141-I144 HydrophobicContact CD1-CD1 4.22Å; I141-I144 HydrophobicContact CG2-CD1 4.25Å; I141-I144 HydrophobicContact CG2-CG1 3.68Å; I141-V161 HydrophobicContact CD1-CG1 4.21Å; I141-V161 HydrophobicContact CG1-CG1 4.03Å; I141-V161 HydrophobicContact CG2-CG1 3.84Å; I141-T162 WeakPolarHBondContact CG2-O 3.18Å; I141-Y163 HydrophobicContact CG1-CD1 4.09Å; I141-Y163 HydrophobicContact CG1-CE1 3.7Å |
| 142 | D | 85.6 | Confident | 83.1 | Confident | 103 Ų | 103 | 75.6 Ų | 75.6 | 55% | 0.551 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78 | -51.7 | 172.4 | 174.1 | 81.7 | 0 | 0 | 0 | 111 | T162 | D142-T162 HydrophobicContact CB-CG2 4.32Å; D142-T162 WeakPolarHBondContact CB-O 3.37Å; D142-T162 PolarHBondContact N-O 2.79Å |
| 143 | S | 82.4 | Confident | 82.2 | Confident | 39 Ų | 39 | 75.6 Ų | 75.6 | 27% | 0.273 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 145.3 | -176.9 | 49 | 0 | 0 | 0 | 0 | 113.2 | T162 | S143-T162 PolarHBondContact N-O 3.39Å; S143-T162 VanDerWaalsContact N-O 3.17Å; S143-T162 PolarHBondContact O-N 2.8Å; S143-T162 VanDerWaalsContact OG-CB 3.27Å; S143-T162 WeakPolarHBondContact OG-CB 3.37Å; S143-T162 PolarHBondContact OG-OG1 3.46Å |
| 144 | I | 85.6 | Confident | 81.5 | Confident | 22 Ų | 22 | 74.1 Ų | 74.1 | 11% | 0.113 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 125.6 | 173 | -54.4 | 177.4 | 0 | 0 | 0 | 108.3 | E128 I131 R132 I141 L146 F160 | E128-I144 HydrophobicContact CG-CB 4.33Å; E128-I144 HydrophobicContact CG-CD1 4.07Å; E128-I144 HydrophobicContact CG-CG2 4.22Å; I131-I144 HydrophobicContact CG2-CD1 4.26Å; I131-I144 HydrophobicContact CG2-CG2 4.33Å; R132-I144 HydrophobicContact CB-CD1 3.68Å; R132-I144 HydrophobicContact CG-CD1 4.05Å; I141-I144 HydrophobicContact CD1-CD1 4.22Å; I141-I144 HydrophobicContact CG2-CD1 4.25Å; I141-I144 HydrophobicContact CG2-CG1 3.68Å; I144-L146 HydrophobicContact CG2-CD1 3.74Å; I144-L146 HydrophobicContact CG2-CG 4.22Å; I144-F160 CarbonylContact C-O 3.6Å; I144-F160 WeakPolarHBondContact CA-O 3.48Å |
| 145 | E | 85 | Confident | 80.7 | Confident | 87 Ų | 87 | 74.2 Ų | 74.2 | 41% | 0.407 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 121.4 | 174.2 | -68.4 | 171.3 | -141.4 | 0 | 0 | 109.4 | K116 P147 C159 F160 | K116-E145 IonicContact NZ-OE1 2.69Å; K116-E145 PolarHBondContact NZ-OE1 3.46Å; K116-E145 IonicContact NZ-OE2 2.65Å; K116-E145 PolarHBondContact NZ-OE2 2.85Å; E145-P147 VanDerWaalsContact O-CD 3.31Å; E145-P147 WeakPolarHBondContact O-CD 3.34Å; E145-C159 CarbonylContact O-C 3.55Å; E145-C159 VanDerWaalsContact O-CA 3.27Å; E145-C159 WeakPolarHBondContact O-CA 3.47Å; E145-C159 WeakPolarHBondContact O-CB 3.4Å; E145-F160 HydrophobicContact CB-CB 4.27Å; E145-F160 HydrophobicContact CB-CD2 4.41Å; E145-F160 PolarHBondContact N-O 3.28Å; E145-F160 PolarHBondContact O-N 3.37Å |
| 146 | L | 84.3 | Confident | 80 | Confident | 34 Ų | 34 | 80.7 Ų | 80.7 | 18% | 0.178 | 43% | 0.432 | C | S | . | . | trans | -114.1 | 89.3 | 175.3 | -70.9 | 123.7 | 0 | 0 | 0 | 110.3 | E128 I131 I144 M148 C159 | E128-L146 HydrophobicContact CB-CD1 3.7Å; E128-L146 HydrophobicContact CG-CD1 3.69Å; I131-L146 HydrophobicContact CD1-CD2 3.7Å; I144-L146 HydrophobicContact CG2-CD1 3.74Å; I144-L146 HydrophobicContact CG2-CG 4.22Å; L146-M148 PolarHBondContact O-N 3.08Å; L146-C159 HydrophobicContact CD2-CB 3.82Å; L146-C159 HydrophobicContact CG-CB 3.84Å | ||
| 147 | P | 79.1 | Confident | 79.7 | Confident | 38 Ų | 38 | 80 Ų | 80 | 25% | 0.247 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 119.6 | 177.4 | -25.7 | 37.8 | 0 | 0 | 0 | 111.8 | E145 R156 F158 F160 | E145-P147 VanDerWaalsContact O-CD 3.31Å; E145-P147 WeakPolarHBondContact O-CD 3.34Å; P147-R156 WeakPolarHBondContact O-CG 3.38Å; P147-R156 PolarHBondContact O-N 3.44Å; P147-F158 HydrophobicContact CB-CE2 4.07Å; P147-F158 HydrophobicContact CB-CZ 4.09Å; P147-F158 HydrophobicContact CG-CD2 4.46Å; P147-F158 HydrophobicContact CG-CE2 3.71Å; P147-F158 HydrophobicContact CG-CZ 4.23Å; P147-F160 HydrophobicContact CG-CD2 4.26Å; P147-F160 HydrophobicContact CG-CE2 4.11Å |
| 148 | M | 80.4 | Confident | 79.6 | Confident | 98 Ų | 98 | 77.6 Ų | 77.6 | 48% | 0.483 | 40% | 0.398 | S | S | . | . | B | Isolated β-bridge | trans | -88.8 | 149.1 | 171.3 | -61.1 | 175.9 | -176.9 | 0 | 0 | 110.1 | L146 T150 R155 | L146-M148 PolarHBondContact O-N 3.08Å; M148-T150 PolarHBondContact O-N 3.01Å; M148-R155 HydrophobicContact CG-CG 4.48Å |
| 149 | D | 76.8 | Confident | 79.7 | Confident | 57 Ų | 57 | 74.6 Ų | 74.6 | 31% | 0.305 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 124 | 170.4 | -165.3 | -34.2 | 0 | 0 | 0 | 108.6 | K151 N153 E154 R156 | D149-K151 PolarHBondContact O-N 3.48Å; D149-K151 PolarHBondContact OD1-N 3.27Å; D149-N153 WeakPolarHBondContact O-CA 3.42Å; D149-N153 PolarHBondContact O-N 3.35Å; D149-E154 PolarHBondContact N-O 3.03Å; D149-R156 HydrophobicContact CB-CG 4.03Å |
| 150 | T | 72.4 | Confident | 79.9 | Confident | 140 Ų | 140 | 75.5 Ų | 75.5 | 86% | 0.859 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -12 | -177.8 | 55.5 | 0 | 0 | 0 | 0 | 113.3 | M148 | M148-T150 PolarHBondContact O-N 3.01Š|
| 151 | K | 73.2 | Confident | 80 | Confident | 190 Ų | 190 | 69.6 Ų | 69.6 | 83% | 0.826 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -40.9 | -178.8 | -63 | -177.9 | -179.1 | -179.9 | 0 | 113.4 | D149 | D149-K151 PolarHBondContact O-N 3.48Å; D149-K151 PolarHBondContact OD1-N 3.27Å |
| 152 | T | 72.3 | Confident | 79.9 | Confident | 76 Ų | 76 | 69.8 Ų | 69.8 | 47% | 0.466 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -9.8 | -178.3 | 62.6 | 0 | 0 | 0 | 0 | 112.7 | E154 | T152-E154 WeakPolarHBondContact CB-OE2 3.42Å; T152-E154 PolarHBondContact O-N 3.13Å; T152-E154 VanDerWaalsContact O-N 3.16Å; T152-E154 WeakPolarHBondContact OG1-CB 3.27Å; T152-E154 PolarHBondContact OG1-N 3.39Å; T152-E154 PolarHBondContact OG1-OE2 3.42Å; T152-E154 VanDerWaalsContact OG1-OE2 3.14Å |
| 153 | N | 69.5 | Low | 80 | Confident | 128 Ų | 128 | 65 Ų | 65 | 68% | 0.684 | 33% | 0.328 | S | S | * | . | trans | 56.2 | 19.6 | -171.5 | -146.9 | 3.1 | 0 | 0 | 0 | 113.3 | D149 | D149-N153 WeakPolarHBondContact O-CA 3.42Å; D149-N153 PolarHBondContact O-N 3.35Å | ||
| 154 | E | 72.4 | Confident | 79.9 | Confident | 124 Ų | 124 | 65.7 Ų | 65.7 | 58% | 0.579 | 33% | 0.332 | S | S | * | . | trans | -92.5 | 149.4 | 177.1 | -65.2 | 172.3 | 144.5 | 0 | 0 | 109.8 | D149 T152 R156 | D149-E154 PolarHBondContact N-O 3.03Å; T152-E154 WeakPolarHBondContact CB-OE2 3.42Å; T152-E154 PolarHBondContact O-N 3.13Å; T152-E154 VanDerWaalsContact O-N 3.16Å; T152-E154 WeakPolarHBondContact OG1-CB 3.27Å; T152-E154 PolarHBondContact OG1-N 3.39Å; T152-E154 PolarHBondContact OG1-OE2 3.42Å; T152-E154 VanDerWaalsContact OG1-OE2 3.14Å; E154-R156 PolarHBondContact O-N 3.35Å | ||
| 155 | R | 73.5 | Confident | 79.5 | Confident | 76 Ų | 76 | 70.2 Ų | 70.2 | 29% | 0.287 | 35% | 0.353 | S | S | . | . | B | Isolated β-bridge | trans | -67 | 134.7 | 175.9 | -62.5 | -169.7 | -178.8 | 128.9 | -14 | 109.5 | P124 T126 M148 G157 | P124-R155 HydrophobicContact CB-CB 4.19Å; P124-R155 VanDerWaalsContact O-CD 3.29Å; P124-R155 WeakPolarHBondContact O-CD 3.19Å; P124-R155 PolarHBondContact O-NH1 3.41Å; T126-R155 PolarHBondContact O-NH1 3.49Å; M148-R155 HydrophobicContact CG-CG 4.48Å; R155-G157 PolarHBondContact O-N 3.38Å |
| 156 | R | 70.7 | Confident | 79.3 | Confident | 137 Ų | 137 | 70.6 Ų | 70.6 | 52% | 0.517 | 36% | 0.355 | S | S | . | . | trans | -73 | 13.7 | -175.9 | -63.5 | -179.1 | 66.6 | -175.6 | -1.6 | 114.5 | P147 D149 E154 F158 | P147-R156 WeakPolarHBondContact O-CG 3.38Å; P147-R156 PolarHBondContact O-N 3.44Å; D149-R156 HydrophobicContact CB-CG 4.03Å; E154-R156 PolarHBondContact O-N 3.35Å; R156-F158 HydrophobicContact CB-CD1 3.67Å; R156-F158 HydrophobicContact CB-CE1 3.31Å; R156-F158 HydrophobicContact CB-CZ 4.11Å; R156-F158 HydrophobicContact CG-CE1 4.25Å; R156-F158 VanDerWaalsContact O-CD1 3.24Å; R156-F158 WeakPolarHBondContact O-CD1 3.42Å; R156-F158 PolarHBondContact O-N 3.36Å | ||
| 157 | G | 79.1 | Confident | 79.2 | Confident | 18 Ų | 18 | 72.5 Ų | 72.5 | 19% | 0.186 | 37% | 0.368 | C | S | . | . | S | Bend | trans | 65.9 | 21 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | G121 L122 R155 | G121-G157 PolarHBondContact N-O 2.86Å; L122-G157 PolarHBondContact N-O 3.3Å; L122-G157 WeakPolarHBondContact O-CA 3.15Å; R155-G157 PolarHBondContact O-N 3.38Å |
| 158 | F | 85.4 | Confident | 79.4 | Confident | 37 Ų | 37 | 71 Ų | 71 | 16% | 0.162 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 153.3 | 172.8 | 68.6 | -93.3 | 0 | 0 | 0 | 111.4 | F118 V119 P147 R156 F160 | F118-F158 HydrophobicContact CD2-CD2 4.21Å; F118-F158 HydrophobicContact CE2-CB 3.66Å; F118-F158 HydrophobicContact CE2-CD1 4.49Å; F118-F158 AromaticContact CE2-CD2 3.55Å; F118-F158 HydrophobicContact CE2-CD2 3.55Å; F118-F158 HydrophobicContact CE2-CE2 4.31Å; F118-F158 AromaticContact CE2-CG 3.68Å; F118-F158 HydrophobicContact CE2-CG 3.68Å; F118-F158 HydrophobicContact CZ-CB 3.74Å; F118-F158 HydrophobicContact CZ-CD2 4.43Å; F118-F158 HydrophobicContact CZ-CG 4.11Å; V119-F158 CarbonylContact O-C 3.48Å; V119-F158 WeakPolarHBondContact O-CA 3.25Å; V119-F158 WeakPolarHBondContact O-CB 3.3Å; P147-F158 HydrophobicContact CB-CE2 4.07Å; P147-F158 HydrophobicContact CB-CZ 4.09Å; P147-F158 HydrophobicContact CG-CD2 4.46Å; P147-F158 HydrophobicContact CG-CE2 3.71Å; P147-F158 HydrophobicContact CG-CZ 4.23Å; R156-F158 HydrophobicContact CB-CD1 3.67Å; R156-F158 HydrophobicContact CB-CE1 3.31Å; R156-F158 HydrophobicContact CB-CZ 4.11Å; R156-F158 HydrophobicContact CG-CE1 4.25Å; R156-F158 VanDerWaalsContact O-CD1 3.24Å; R156-F158 WeakPolarHBondContact O-CD1 3.42Å; R156-F158 PolarHBondContact O-N 3.36Å; F158-F160 HydrophobicContact CD2-CE2 4.07Å; F158-F160 HydrophobicContact CD2-CZ 4.42Å; F158-F160 HydrophobicContact CE2-CD2 4.49Å; F158-F160 AromaticContact CE2-CE2 3.69Å; F158-F160 HydrophobicContact CE2-CE2 3.69Å; F158-F160 HydrophobicContact CE2-CZ 4.13Å |
| 159 | C | 87.1 | Confident | 79.5 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 167.3 | 170 | 76.7 | 0 | 0 | 0 | 0 | 110.7 | V119 L122 E145 L146 | V119-C159 PolarHBondContact N-O 3.19Å; V119-C159 PolarHBondContact O-N 2.77Å; L122-C159 HydrophobicContact CD1-CB 3.91Å; L122-C159 WeakPolarHBondContact CD1-SG 3.25Å; E145-C159 CarbonylContact O-C 3.55Å; E145-C159 VanDerWaalsContact O-CA 3.27Å; E145-C159 WeakPolarHBondContact O-CA 3.47Å; E145-C159 WeakPolarHBondContact O-CB 3.4Å; L146-C159 HydrophobicContact CD2-CB 3.82Å; L146-C159 HydrophobicContact CG-CB 3.84Å |
| 160 | F | 88.8 | Confident | 79.7 | Confident | 38 Ų | 38 | 69.8 Ų | 69.8 | 17% | 0.167 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 135.2 | 165.4 | -57.7 | -89.2 | 0 | 0 | 0 | 109.9 | K116 V117 F118 I144 E145 P147 F158 A190 | K116-F160 HydrophobicContact CD-CB 4.22Å; K116-F160 HydrophobicContact CD-CD1 4.44Å; K116-F160 VanDerWaalsContact CE-CG 3.4Å; K116-F160 HydrophobicContact CG-CB 4.04Å; K116-F160 HydrophobicContact CG-CD1 4.34Å; V117-F160 CarbonylContact O-C 3.6Å; V117-F160 VanDerWaalsContact O-CA 3.23Å; V117-F160 WeakPolarHBondContact O-CA 3.48Å; F118-F160 HydrophobicContact CB-CD1 4.19Å; F118-F160 HydrophobicContact CB-CE1 4.12Å; F118-F160 HydrophobicContact CD2-CD1 4.18Å; F118-F160 AromaticContact CD2-CE1 3.62Å; F118-F160 HydrophobicContact CD2-CE1 3.62Å; F118-F160 AromaticContact CD2-CZ 3.97Å; F118-F160 HydrophobicContact CD2-CZ 3.97Å; F118-F160 HydrophobicContact CG-CE1 4.37Å; I144-F160 CarbonylContact C-O 3.6Å; I144-F160 WeakPolarHBondContact CA-O 3.48Å; E145-F160 HydrophobicContact CB-CB 4.27Å; E145-F160 HydrophobicContact CB-CD2 4.41Å; E145-F160 PolarHBondContact N-O 3.28Å; E145-F160 PolarHBondContact O-N 3.37Å; P147-F160 HydrophobicContact CG-CD2 4.26Å; P147-F160 HydrophobicContact CG-CE2 4.11Å; F158-F160 HydrophobicContact CD2-CE2 4.07Å; F158-F160 HydrophobicContact CD2-CZ 4.42Å; F158-F160 HydrophobicContact CE2-CD2 4.49Å; F158-F160 AromaticContact CE2-CE2 3.69Å; F158-F160 HydrophobicContact CE2-CE2 3.69Å; F158-F160 HydrophobicContact CE2-CZ 4.13Å; F160-A190 HydrophobicContact CD1-CB 3.98Å; F160-A190 HydrophobicContact CE1-CB 4.21Å |
| 161 | V | 88.6 | Confident | 80.2 | Confident | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.006 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 121.5 | 176.6 | -176.8 | 0 | 0 | 0 | 0 | 107.9 | K116 V117 V119 I131 F135 I141 Y163 | K116-V161 CarbonylContact C-O 3.58Å; K116-V161 WeakPolarHBondContact CA-O 3.49Å; V117-V161 PolarHBondContact N-O 2.87Å; V117-V161 PolarHBondContact O-N 3.44Å; V119-V161 HydrophobicContact CG2-CG2 4.14Å; I131-V161 HydrophobicContact CG2-CG2 4.31Å; F135-V161 HydrophobicContact CB-CG1 4.46Å; F135-V161 HydrophobicContact CD2-CG2 4.24Å; F135-V161 HydrophobicContact CG-CG2 4.38Å; I141-V161 HydrophobicContact CD1-CG1 4.21Å; I141-V161 HydrophobicContact CG1-CG1 4.03Å; I141-V161 HydrophobicContact CG2-CG1 3.84Å; V161-Y163 HydrophobicContact CB-CE2 4.25Å; V161-Y163 HydrophobicContact CG1-CD2 4.16Å; V161-Y163 HydrophobicContact CG1-CE1 4.46Å; V161-Y163 HydrophobicContact CG1-CE2 3.6Å |
| 162 | T | 85.6 | Confident | 80.6 | Confident | 23 Ų | 23 | 59.4 Ų | 59.4 | 14% | 0.141 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 125.3 | 173.6 | -48 | 0 | 0 | 0 | 0 | 108.8 | K115 I141 D142 S143 | K115-T162 HydrophobicContact CB-CG2 4.25Å; K115-T162 CarbonylContact O-C 3.6Å; K115-T162 VanDerWaalsContact O-CA 3.3Å; K115-T162 WeakPolarHBondContact O-CA 3.28Å; I141-T162 WeakPolarHBondContact CG2-O 3.18Å; D142-T162 HydrophobicContact CB-CG2 4.32Å; D142-T162 WeakPolarHBondContact CB-O 3.37Å; D142-T162 PolarHBondContact N-O 2.79Å; S143-T162 PolarHBondContact N-O 3.39Å; S143-T162 VanDerWaalsContact N-O 3.17Å; S143-T162 PolarHBondContact O-N 2.8Å; S143-T162 VanDerWaalsContact OG-CB 3.27Å; S143-T162 WeakPolarHBondContact OG-CB 3.37Å; S143-T162 PolarHBondContact OG-OG1 3.46Å |
| 163 | Y | 87.5 | Confident | 81.1 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 0% | 0.004 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 155.4 | 175.5 | -70.6 | -88 | 0 | 0 | 0 | 111.7 | K115 V117 F135 D140 I141 V161 E165 P168 V169 L172 | K115-Y163 WeakPolarHBondContact CB-O 3.29Å; K115-Y163 PolarHBondContact O-N 3.16Å; V117-Y163 HydrophobicContact CG2-CD2 4.3Å; V117-Y163 HydrophobicContact CG2-CE2 4.16Å; F135-Y163 VanDerWaalsContact CB-OH 3.23Å; F135-Y163 WeakPolarHBondContact CB-OH 3.49Å; F135-Y163 WeakPolarHBondContact CD1-OH 3.44Å; F135-Y163 PolarHBondContact O-OH 2.81Å; D140-Y163 WeakPolarHBondContact O-CA 3.23Å; D140-Y163 WeakPolarHBondContact O-CD1 3.07Å; I141-Y163 HydrophobicContact CG1-CD1 4.09Å; I141-Y163 HydrophobicContact CG1-CE1 3.7Å; V161-Y163 HydrophobicContact CB-CE2 4.25Å; V161-Y163 HydrophobicContact CG1-CD2 4.16Å; V161-Y163 HydrophobicContact CG1-CE1 4.46Å; V161-Y163 HydrophobicContact CG1-CE2 3.6Å; Y163-E165 VanDerWaalsContact C-N 3.3Å; Y163-E165 WeakPolarHBondContact CB-O 3.17Å; Y163-P168 HydrophobicContact CD1-CB 3.56Å; Y163-P168 HydrophobicContact CD1-CG 3.81Å; Y163-P168 HydrophobicContact CD2-CB 4.3Å; Y163-P168 HydrophobicContact CE1-CB 3.66Å; Y163-P168 HydrophobicContact CE1-CG 4.3Å; Y163-P168 HydrophobicContact CE2-CB 4.39Å; Y163-P168 HydrophobicContact CG-CB 3.9Å; Y163-P168 HydrophobicContact CG-CG 4.22Å; Y163-V169 HydrophobicContact CD2-CG2 3.76Å; Y163-V169 HydrophobicContact CE2-CG2 4.49Å; Y163-V169 HydrophobicContact CG-CG2 4.42Å; Y163-L172 HydrophobicContact CE2-CD1 3.7Å; Y163-L172 WeakPolarHBondContact OH-CD1 3.24Å |
| 164 | C | 80.5 | Confident | 81.6 | Confident | 54 Ų | 54 | 59.6 Ų | 59.6 | 37% | 0.365 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -64.7 | -40.8 | 169 | -64.5 | 0 | 0 | 0 | 0 | 110.8 | K115 D140 | K115-C164 PolarHBondContact NZ-O 3.01Å; D140-C164 HydrophobicContact CB-CB 4.36Å; D140-C164 PolarHBondContact O-N 3.37Å |
| 165 | E | 78.3 | Confident | 81.9 | Confident | 118 Ų | 118 | 57.1 Ų | 57.1 | 55% | 0.551 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -111.9 | 157.6 | -174.5 | -67.3 | -62.1 | 153 | 0 | 0 | 112.3 | Y163 P168 | Y163-E165 VanDerWaalsContact C-N 3.3Å; Y163-E165 WeakPolarHBondContact CB-O 3.17Å; E165-P168 WeakPolarHBondContact O-CD 3.44Å |
| 166 | E | 79.5 | Confident | 82.1 | Confident | 94 Ų | 94 | 61.5 Ų | 61.5 | 44% | 0.439 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -85.2 | -23.3 | 177.6 | 64 | 174.3 | 135 | 0 | 0 | 113.7 | P113 P168 V169 Q170 | P113-E166 HydrophobicContact CB-CB 4.34Å; P113-E166 WeakPolarHBondContact CB-OE2 3.46Å; P113-E166 HydrophobicContact CG-CB 4.06Å; P113-E166 HydrophobicContact CG-CG 4.48Å; P113-E166 WeakPolarHBondContact CG-OE2 3.5Å; E166-P168 VanDerWaalsContact C-CD 3.45Å; E166-V169 WeakPolarHBondContact O-CB 3.5Å; E166-V169 PolarHBondContact O-N 3.36Å; E166-V169 VanDerWaalsContact O-N 3.07Å; E166-Q170 PolarHBondContact O-N 3.38Å |
| 167 | T | 81.8 | Confident | 82.8 | Confident | 75 Ų | 75 | 61.4 Ų | 61.4 | 46% | 0.46 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -56.3 | -41.8 | -178.4 | -49.1 | 0 | 0 | 0 | 0 | 113.7 | V169 Q170 K171 | T167-V169 VanDerWaalsContact C-N 3.32Å; T167-V169 PolarHBondContact O-N 3.43Å; T167-Q170 PolarHBondContact O-N 3.31Å; T167-K171 PolarHBondContact O-N 3Å |
| 168 | P | 83.6 | Confident | 83 | Confident | 6 Ų | 6 | 61.2 Ų | 61.2 | 4% | 0.039 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.8 | -39 | 175.9 | -22.7 | 35.7 | 0 | 0 | 0 | 112.2 | F138 Y163 E165 E166 Q170 K171 L172 | F138-P168 HydrophobicContact CB-CB 4.21Å; F138-P168 WeakPolarHBondContact O-CB 3.37Å; F138-P168 WeakPolarHBondContact O-CG 2.89Å; Y163-P168 HydrophobicContact CD1-CB 3.56Å; Y163-P168 HydrophobicContact CD1-CG 3.81Å; Y163-P168 HydrophobicContact CD2-CB 4.3Å; Y163-P168 HydrophobicContact CE1-CB 3.66Å; Y163-P168 HydrophobicContact CE1-CG 4.3Å; Y163-P168 HydrophobicContact CE2-CB 4.39Å; Y163-P168 HydrophobicContact CG-CB 3.9Å; Y163-P168 HydrophobicContact CG-CG 4.22Å; E165-P168 WeakPolarHBondContact O-CD 3.44Å; E166-P168 VanDerWaalsContact C-CD 3.45Å; P168-Q170 PolarHBondContact O-N 3.2Å; P168-K171 PolarHBondContact O-N 2.88Å; P168-L172 WeakPolarHBondContact O-CB 3.36Å; P168-L172 VanDerWaalsContact O-CG 3.25Å; P168-L172 WeakPolarHBondContact O-CG 3.44Å; P168-L172 PolarHBondContact O-N 2.82Å |
| 169 | V | 82.9 | Confident | 82.9 | Confident | 8 Ų | 8 | 66.1 Ų | 66.1 | 5% | 0.048 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 179.8 | 178 | 0 | 0 | 0 | 0 | 111.1 | V117 Y163 E166 T167 L172 L173 | V117-V169 HydrophobicContact CG2-CB 4.02Å; V117-V169 HydrophobicContact CG2-CG1 3.65Å; V117-V169 HydrophobicContact CG2-CG2 3.59Å; Y163-V169 HydrophobicContact CD2-CG2 3.76Å; Y163-V169 HydrophobicContact CE2-CG2 4.49Å; Y163-V169 HydrophobicContact CG-CG2 4.42Å; E166-V169 WeakPolarHBondContact O-CB 3.5Å; E166-V169 PolarHBondContact O-N 3.36Å; E166-V169 VanDerWaalsContact O-N 3.07Å; T167-V169 VanDerWaalsContact C-N 3.32Å; T167-V169 PolarHBondContact O-N 3.43Å; V169-L172 PolarHBondContact O-N 3.32Å; V169-L173 HydrophobicContact CG1-CD1 3.87Å; V169-L173 HydrophobicContact CG1-CG 4.38Å; V169-L173 VanDerWaalsContact O-CG 3.28Å; V169-L173 WeakPolarHBondContact O-CG 3.11Å; V169-L173 PolarHBondContact O-N 3.47Å |
| 170 | Q | 80.8 | Confident | 82.5 | Confident | 122 Ų | 122 | 66.2 Ų | 66.2 | 57% | 0.57 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -62.5 | -45.3 | 179.6 | -172.8 | 172 | -5.4 | 0 | 0 | 111.7 | E166 T167 P168 L172 L173 E174 | E166-Q170 PolarHBondContact O-N 3.38Å; T167-Q170 PolarHBondContact O-N 3.31Å; P168-Q170 PolarHBondContact O-N 3.2Å; Q170-L172 VanDerWaalsContact C-N 3.33Å; Q170-L172 PolarHBondContact O-N 2.79Å; Q170-L173 PolarHBondContact O-N 3.27Å; Q170-L173 VanDerWaalsContact O-N 3.16Å; Q170-E174 PolarHBondContact O-N 2.89Å |
| 171 | K | 82.4 | Confident | 81.8 | Confident | 111 Ų | 111 | 65.9 Ų | 65.9 | 48% | 0.483 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.4 | -39.9 | 176.4 | -69.5 | 177.7 | 179.5 | 177.1 | 0 | 112.5 | T167 P168 L173 E174 | T167-K171 PolarHBondContact O-N 3Å; P168-K171 PolarHBondContact O-N 2.88Å; K171-L173 VanDerWaalsContact C-N 3.31Å; K171-L173 PolarHBondContact O-N 2.87Å; K171-E174 WeakPolarHBondContact O-CB 3.29Å; K171-E174 PolarHBondContact O-N 2.88Å |
| 172 | L | 83.4 | Confident | 81 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -69 | -28.3 | 176.8 | -71.3 | 170.8 | 0 | 0 | 0 | 113 | F135 F138 Y163 P168 V169 Q170 C175 I187 | F135-L172 HydrophobicContact CD1-CD1 3.95Å; F135-L172 HydrophobicContact CD1-CD2 4.08Å; F135-L172 HydrophobicContact CE1-CD1 4.25Å; F135-L172 HydrophobicContact CE1-CD2 4.02Å; F138-L172 HydrophobicContact CB-CD2 4.46Å; F138-L172 HydrophobicContact CB-CG 4.45Å; F138-L172 HydrophobicContact CD1-CD2 3.76Å; F138-L172 HydrophobicContact CD1-CG 4.23Å; F138-L172 HydrophobicContact CD2-CD2 3.8Å; F138-L172 HydrophobicContact CE1-CD2 3.86Å; F138-L172 HydrophobicContact CE2-CD2 3.91Å; F138-L172 HydrophobicContact CG-CD2 3.73Å; F138-L172 HydrophobicContact CG-CG 4.19Å; F138-L172 HydrophobicContact CZ-CD2 3.94Å; Y163-L172 HydrophobicContact CE2-CD1 3.7Å; Y163-L172 WeakPolarHBondContact OH-CD1 3.24Å; P168-L172 WeakPolarHBondContact O-CB 3.36Å; P168-L172 VanDerWaalsContact O-CG 3.25Å; P168-L172 WeakPolarHBondContact O-CG 3.44Å; P168-L172 PolarHBondContact O-N 2.82Å; V169-L172 PolarHBondContact O-N 3.32Å; Q170-L172 VanDerWaalsContact C-N 3.33Å; Q170-L172 PolarHBondContact O-N 2.79Å; L172-C175 CarbonylContact O-C 3.37Å; L172-I187 HydrophobicContact CB-CD1 3.83Å; L172-I187 HydrophobicContact CB-CG2 4.2Å; L172-I187 HydrophobicContact CD1-CD1 4.47Å; L172-I187 HydrophobicContact CD2-CD1 3.66Å; L172-I187 HydrophobicContact CG-CD1 4.18Å |
| 173 | L | 81.6 | Confident | 80.5 | Confident | 60 Ų | 60 | 70 Ų | 70 | 31% | 0.314 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -77.9 | -23.3 | 176.5 | -70.6 | 170 | 0 | 0 | 0 | 113 | V169 Q170 K171 C175 I187 V189 | V169-L173 HydrophobicContact CG1-CD1 3.87Å; V169-L173 HydrophobicContact CG1-CG 4.38Å; V169-L173 VanDerWaalsContact O-CG 3.28Å; V169-L173 WeakPolarHBondContact O-CG 3.11Å; V169-L173 PolarHBondContact O-N 3.47Å; Q170-L173 PolarHBondContact O-N 3.27Å; Q170-L173 VanDerWaalsContact O-N 3.16Å; K171-L173 VanDerWaalsContact C-N 3.31Å; K171-L173 PolarHBondContact O-N 2.87Å; L173-C175 VanDerWaalsContact C-N 3.32Å; L173-I187 HydrophobicContact CD2-CG2 4.21Å; L173-V189 HydrophobicContact CD1-CG2 3.7Å; L173-V189 HydrophobicContact CD2-CG2 3.93Å; L173-V189 HydrophobicContact CG-CG2 4.5Å |
| 174 | E | 80.8 | Confident | 80.3 | Confident | 149 Ų | 149 | 76.6 Ų | 76.6 | 70% | 0.696 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64.3 | -39.8 | 171.2 | -69.2 | 176.7 | -179.9 | 0 | 0 | 110.9 | Q170 K171 | Q170-E174 PolarHBondContact O-N 2.89Å; K171-E174 WeakPolarHBondContact O-CB 3.29Å; K171-E174 PolarHBondContact O-N 2.88Å |
| 175 | C | 77.8 | Confident | 80.6 | Confident | 72 Ų | 72 | 74 Ų | 74 | 49% | 0.486 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -103.8 | 86.8 | 174.7 | -69 | 0 | 0 | 0 | 0 | 111.3 | L172 L173 Y177 H178 | L172-C175 CarbonylContact O-C 3.37Å; L173-C175 VanDerWaalsContact C-N 3.32Å; C175-Y177 PolarHBondContact O-N 3.45Å; C175-H178 WeakPolarHBondContact CB-NE2 3.44Å; C175-H178 PolarHBondContact O-CD2 2.96Å; C175-H178 PolarHBondContact O-NE2 3.21Å |
| 176 | R | 78.4 | Confident | 81 | Confident | 168 Ų | 168 | 70.9 Ų | 70.9 | 63% | 0.634 | 35% | 0.353 | S | S | * | . | trans | -58.6 | -20 | -178 | -67.7 | -171.2 | -178.9 | -166.3 | 1.8 | 115.9 | E186 I187 | R176-E186 CarbonylContact O-C 3.57Å; R176-E186 WeakPolarHBondContact O-CA 2.96Å; R176-I187 PolarHBondContact O-N 3.48Å | ||
| 177 | Y | 85.1 | Confident | 81.4 | Confident | 135 Ų | 135 | 66.6 Ų | 66.6 | 53% | 0.529 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 127.9 | -179.6 | -62.4 | -75.6 | 0 | 0 | 0 | 110.6 | C175 K184 C185 E186 | C175-Y177 PolarHBondContact O-N 3.45Å; Y177-K184 HydrophobicContact CD1-CD 4.5Å; Y177-C185 VanDerWaalsContact CA-O 3.32Å; Y177-C185 WeakPolarHBondContact CA-O 3.32Å; Y177-E186 HydrophobicContact CD1-CB 4.15Å; Y177-E186 HydrophobicContact CD1-CG 4.27Å; Y177-E186 HydrophobicContact CE1-CB 4.02Å; Y177-E186 HydrophobicContact CE1-CG 3.86Å |
| 178 | H | 83.8 | Confident | 81.5 | Confident | 14 Ų | 14 | 67.5 Ų | 67.5 | 7% | 0.065 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 161.5 | 176.4 | -72.2 | -102.9 | 0 | 0 | 0 | 109.6 | Y134 F138 C175 K184 C185 I187 | Y134-H178 HydrophobicContact CE1-CB 3.89Å; Y134-H178 AromaticContact CE1-ND1 3.52Å; Y134-H178 AromaticContact CZ-ND1 3.64Å; Y134-H178 PolarHBondContact OH-ND1 3.07Å; F138-H178 AromaticContact CZ-CE1 3.68Å; F138-H178 AromaticContact CZ-ND1 3.92Å; C175-H178 WeakPolarHBondContact CB-NE2 3.44Å; C175-H178 PolarHBondContact O-CD2 2.96Å; C175-H178 PolarHBondContact O-NE2 3.21Å; H178-K184 CarbonylContact O-C 3.56Å; H178-C185 VanDerWaalsContact CB-SG 3.53Å; H178-C185 PolarHBondContact N-O 3.19Å; H178-C185 PolarHBondContact O-N 3.3Å; H178-C185 PolarHBondContact O-SG 3.32Å; H178-C185 VanDerWaalsContact O-SG 3.4Å; H178-I187 HydrophobicContact CB-CD1 4.49Å; H178-I187 WeakPolarHBondContact CD2-CD1 3.29Å; H178-I187 WeakPolarHBondContact NE2-CD1 3.32Å |
| 179 | Q | 82 | Confident | 81.4 | Confident | 139 Ų | 139 | 70.5 Ų | 70.5 | 65% | 0.65 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 115.2 | 176.5 | -170.1 | 162.9 | 14.4 | 0 | 0 | 107.8 | Y134 | Y134-Q179 WeakPolarHBondContact CE2-O 3.45Å |
| 180 | V | 79.8 | Confident | 81.1 | Confident | 2 Ų | 2 | 70.7 Ų | 70.7 | 1% | 0.012 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 115.8 | -177.8 | -175.8 | 0 | 0 | 0 | 0 | 106.9 | L122 T126 E130 I131 Y134 F135 S182 G183 | L122-V180 HydrophobicContact CD2-CB 4.01Å; L122-V180 HydrophobicContact CD2-CG1 4.27Å; T126-V180 HydrophobicContact CG2-CG1 4.16Å; E130-V180 HydrophobicContact CG-CG1 4.31Å; I131-V180 HydrophobicContact CG1-CG1 4.25Å; Y134-V180 HydrophobicContact CD1-CG2 3.46Å; Y134-V180 VanDerWaalsContact CD1-CG2 3.46Å; Y134-V180 HydrophobicContact CD2-CG2 4.31Å; Y134-V180 HydrophobicContact CE1-CG2 3.75Å; Y134-V180 HydrophobicContact CG-CG2 3.76Å; F135-V180 HydrophobicContact CE2-CG2 4.09Å; F135-V180 HydrophobicContact CZ-CG2 4.26Å; V180-S182 PolarHBondContact O-N 3.46Å; V180-G183 PolarHBondContact N-O 3.35Å; V180-G183 VanDerWaalsContact N-O 3.14Å; V180-G183 PolarHBondContact O-N 3.28Å |
| 181 | G | 74.4 | Confident | 80.7 | Confident | 32 Ų | 32 | 69.9 Ų | 69.9 | 33% | 0.33 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | -131.6 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | E130 G183 | E130-G181 WeakPolarHBondContact OE1-CA 3.39Å; E130-G181 PolarHBondContact OE1-N 3.33Å; E130-G181 VanDerWaalsContact OE1-N 3.09Å; G181-G183 VanDerWaalsContact C-N 3.34Å |
| 182 | S | 71.1 | Confident | 80 | Confident | 99 Ų | 99 | 68.7 Ų | 68.7 | 69% | 0.692 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -5.8 | 179.4 | 57.5 | 0 | 0 | 0 | 0 | 114 | V180 | V180-S182 PolarHBondContact O-N 3.46Š|
| 183 | G | 75.2 | Confident | 78.9 | Confident | 10 Ų | 10 | 76.1 Ų | 76.1 | 10% | 0.103 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 145.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | V180 G181 | V180-G183 PolarHBondContact N-O 3.35Å; V180-G183 VanDerWaalsContact N-O 3.14Å; V180-G183 PolarHBondContact O-N 3.28Å; G181-G183 VanDerWaalsContact C-N 3.34Å |
| 184 | K | 83.6 | Confident | 77.7 | Confident | 141 Ų | 141 | 80 Ų | 80 | 61% | 0.613 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 111.6 | 165.4 | -177.5 | 179.4 | -179.3 | 179.6 | 0 | 108.4 | Y177 H178 | Y177-K184 HydrophobicContact CD1-CD 4.5Å; H178-K184 CarbonylContact O-C 3.56Å |
| 185 | C | 86.9 | Confident | 76.7 | Confident | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 149.2 | 178.8 | 64.7 | 0 | 0 | 0 | 0 | 112.5 | V119 G120 L122 Y177 H178 | V119-C185 HydrophobicContact CG1-CB 3.65Å; G120-C185 CarbonylContact O-C 3.4Å; G120-C185 WeakPolarHBondContact O-CA 3.19Å; G120-C185 VanDerWaalsContact O-CB 3.29Å; G120-C185 WeakPolarHBondContact O-CB 3.11Å; L122-C185 HydrophobicContact CD2-CB 3.82Å; L122-C185 HydrophobicContact CG-CB 4.17Å; Y177-C185 VanDerWaalsContact CA-O 3.32Å; Y177-C185 WeakPolarHBondContact CA-O 3.32Å; H178-C185 VanDerWaalsContact CB-SG 3.53Å; H178-C185 PolarHBondContact N-O 3.19Å; H178-C185 PolarHBondContact O-N 3.3Å; H178-C185 PolarHBondContact O-SG 3.32Å; H178-C185 VanDerWaalsContact O-SG 3.4Å |
| 186 | E | 86.6 | Confident | 75.8 | Confident | 52 Ų | 52 | 78.5 Ų | 78.5 | 24% | 0.243 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 129.7 | 176.1 | -174.9 | -172.6 | -166.6 | 0 | 0 | 109.3 | V119 G120 R176 Y177 K188 | V119-E186 WeakPolarHBondContact CA-O 3.27Å; G120-E186 PolarHBondContact N-O 2.64Å; G120-E186 PolarHBondContact O-N 3.33Å; R176-E186 CarbonylContact O-C 3.57Å; R176-E186 WeakPolarHBondContact O-CA 2.96Å; Y177-E186 HydrophobicContact CD1-CB 4.15Å; Y177-E186 HydrophobicContact CD1-CG 4.27Å; Y177-E186 HydrophobicContact CE1-CB 4.02Å; Y177-E186 HydrophobicContact CE1-CG 3.86Å; E186-K188 WeakPolarHBondContact OE1-CE 3.46Å; E186-K188 IonicContact OE1-NZ 2.64Å; E186-K188 PolarHBondContact OE1-NZ 3.45Å; E186-K188 IonicContact OE2-NZ 2.81Å; E186-K188 PolarHBondContact OE2-NZ 3.44Å |
| 187 | I | 87.8 | Confident | 74.9 | Confident | 3 Ų | 3 | 77.1 Ų | 77.1 | 2% | 0.015 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 128.2 | -179.6 | -62.1 | -169.7 | 0 | 0 | 0 | 110.5 | V117 F118 F135 L172 L173 R176 H178 | V117-I187 HydrophobicContact CG1-CG2 3.3Å; F118-I187 WeakPolarHBondContact O-CA 3.47Å; F135-I187 HydrophobicContact CE1-CD1 3.72Å; F135-I187 HydrophobicContact CZ-CD1 4.28Å; L172-I187 HydrophobicContact CB-CD1 3.83Å; L172-I187 HydrophobicContact CB-CG2 4.2Å; L172-I187 HydrophobicContact CD1-CD1 4.47Å; L172-I187 HydrophobicContact CD2-CD1 3.66Å; L172-I187 HydrophobicContact CG-CD1 4.18Å; L173-I187 HydrophobicContact CD2-CG2 4.21Å; R176-I187 PolarHBondContact O-N 3.48Å; H178-I187 HydrophobicContact CB-CD1 4.49Å; H178-I187 WeakPolarHBondContact CD2-CD1 3.29Å; H178-I187 WeakPolarHBondContact NE2-CD1 3.32Å |
| 188 | K | 84.6 | Confident | 73.6 | Confident | 94 Ų | 94 | 76.6 Ų | 76.6 | 41% | 0.409 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 156 | 174.2 | -68.5 | 177.2 | 170.6 | 140 | 0 | 110.5 | F118 E186 A190 | F118-K188 HydrophobicContact CB-CB 4.37Å; F118-K188 HydrophobicContact CD1-CB 4.07Å; F118-K188 PolarHBondContact N-O 2.95Å; F118-K188 PolarHBondContact O-N 2.73Å; E186-K188 WeakPolarHBondContact OE1-CE 3.46Å; E186-K188 IonicContact OE1-NZ 2.64Å; E186-K188 PolarHBondContact OE1-NZ 3.45Å; E186-K188 IonicContact OE2-NZ 2.81Å; E186-K188 PolarHBondContact OE2-NZ 3.44Å; K188-A190 PolarHBondContact O-N 3.09Å |
| 189 | V | 80.9 | Confident | 72.3 | Confident | 69 Ų | 69 | 81.5 Ų | 81.5 | 42% | 0.418 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 124.8 | 164.9 | 164.6 | 0 | 0 | 0 | 0 | 109.1 | P114 L173 Q191 | P114-V189 HydrophobicContact CB-CG1 4.26Å; P114-V189 HydrophobicContact CG-CB 4.28Å; P114-V189 HydrophobicContact CG-CG1 3.31Å; P114-V189 HydrophobicContact CG-CG2 4.27Å; L173-V189 HydrophobicContact CD1-CG2 3.7Å; L173-V189 HydrophobicContact CD2-CG2 3.93Å; L173-V189 HydrophobicContact CG-CG2 4.5Å; V189-Q191 PolarHBondContact O-N 3.29Å |
| 190 | A | 76.1 | Confident | 71 | Confident | 13 Ų | 13 | 80.1 Ų | 80.1 | 11% | 0.107 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 128.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | K116 F118 F160 K188 | K116-A190 HydrophobicContact CB-CB 3.94Å; K116-A190 HydrophobicContact CD-CB 4.37Å; K116-A190 HydrophobicContact CG-CB 3.75Å; K116-A190 WeakPolarHBondContact O-CB 3.08Å; K116-A190 PolarHBondContact O-N 2.79Å; F118-A190 HydrophobicContact CB-CB 4.43Å; F160-A190 HydrophobicContact CD1-CB 3.98Å; F160-A190 HydrophobicContact CE1-CB 4.21Å; K188-A190 PolarHBondContact O-N 3.09Å |
| 191 | Q | 73.1 | Confident | 69.8 | Low | 105 Ų | 105 | 86.7 Ų | 86.7 | 49% | 0.491 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -93 | 145 | 172.6 | -65.3 | -166.3 | -2.5 | 0 | 0 | 110.3 | V189 | V189-Q191 PolarHBondContact O-N 3.29Š|
| 192 | P | 66.1 | Low | 68.6 | Low | 85 Ų | 85 | 92.2 Ų | 92.2 | 55% | 0.552 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 142.2 | 174.5 | -18.4 | 28.2 | 0 | 0 | 0 | 111.2 | E194 V195 Y196 | P192-E194 PolarHBondContact O-N 2.84Å; P192-V195 HydrophobicContact CB-CG2 4.25Å; P192-V195 HydrophobicContact CG-CG2 4.16Å; P192-V195 PolarHBondContact O-N 2.93Å; P192-Y196 PolarHBondContact O-N 3.39Å |
| 193 | K | 60.4 | Low | 67.4 | Low | 157 Ų | 157 | 98 Ų | 98 | 68% | 0.683 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -55.3 | -25.1 | -179.4 | -170 | 174.8 | -179.7 | 176.3 | 0 | 113.7 | R197 | K193-R197 PolarHBondContact O-N 2.89Å |
| 194 | E | 57.5 | Low | 66 | Low | 140 Ų | 140 | 100.8 Ų | 100.8 | 65% | 0.654 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -72.4 | -41.2 | 176.8 | -63.7 | -170 | 150.3 | 0 | 0 | 112.8 | P192 Y196 R197 Q198 | P192-E194 PolarHBondContact O-N 2.84Å; E194-Y196 VanDerWaalsContact C-N 3.33Å; E194-Y196 PolarHBondContact O-N 3.4Å; E194-R197 PolarHBondContact O-N 2.75Å; E194-Q198 PolarHBondContact O-N 3.17Å; E194-Q198 VanDerWaalsContact O-N 3.13Å |
| 195 | V | 58.8 | Low | 64.3 | Low | 59 Ų | 59 | 102.1 Ų | 102.1 | 36% | 0.358 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.6 | -40.5 | 177.8 | -178.1 | 0 | 0 | 0 | 0 | 110.4 | P192 R197 Q198 Q199 | P192-V195 HydrophobicContact CB-CG2 4.25Å; P192-V195 HydrophobicContact CG-CG2 4.16Å; P192-V195 PolarHBondContact O-N 2.93Å; V195-R197 PolarHBondContact O-N 2.95Å; V195-Q198 PolarHBondContact O-N 2.84Å; V195-Q199 PolarHBondContact O-N 3.05Å; V195-Q199 VanDerWaalsContact O-N 3.08Å |
| 196 | Y | 59.6 | Low | 62.2 | Low | 132 Ų | 132 | 111.9 Ų | 111.9 | 52% | 0.518 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.2 | -29.1 | 178.3 | -161.8 | -104.3 | 0 | 0 | 0 | 113.4 | P192 E194 Q200 | P192-Y196 PolarHBondContact O-N 3.39Å; E194-Y196 VanDerWaalsContact C-N 3.33Å; E194-Y196 PolarHBondContact O-N 3.4Å; Y196-Q200 HydrophobicContact CE1-CG 4.5Å; Y196-Q200 PolarHBondContact O-N 2.84Å; Y196-Q200 PolarHBondContact O-NE2 3.16Å |
| 197 | R | 59.3 | Low | 60 | Low | 138 Ų | 138 | 113 Ų | 113 | 52% | 0.521 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -72.6 | -39.9 | 174.2 | -91.6 | -173.2 | -80 | -169.6 | 1.6 | 112.2 | K193 E194 V195 Q201 | K193-R197 PolarHBondContact O-N 2.89Å; E194-R197 PolarHBondContact O-N 2.75Å; V195-R197 PolarHBondContact O-N 2.95Å; R197-Q201 WeakPolarHBondContact O-CG 3.32Å; R197-Q201 PolarHBondContact O-N 2.87Å |
| 198 | Q | 56.8 | Low | 57.8 | Low | 125 Ų | 125 | 116.1 Ų | 116.1 | 58% | 0.584 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -68.1 | -38.2 | 175.5 | -77.4 | 174.3 | 2 | 0 | 0 | 112.4 | E194 V195 Q200 Q201 H202 | E194-Q198 PolarHBondContact O-N 3.17Å; E194-Q198 VanDerWaalsContact O-N 3.13Å; V195-Q198 PolarHBondContact O-N 2.84Å; Q198-Q200 PolarHBondContact O-N 2.84Å; Q198-Q201 PolarHBondContact O-N 3.32Å; Q198-H202 PolarHBondContact O-CD2 2.83Å; Q198-H202 PolarHBondContact O-N 2.97Å |
| 199 | Q | 57.1 | Low | 55.8 | Low | 117 Ų | 117 | 119.6 Ų | 119.6 | 55% | 0.547 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66.7 | -33.5 | 177.2 | -105.4 | 175.5 | 24 | 0 | 0 | 114 | V195 R203 | V195-Q199 PolarHBondContact O-N 3.05Å; V195-Q199 VanDerWaalsContact O-N 3.08Å; Q199-R203 PolarHBondContact O-N 2.85Å |
| 200 | Q | 56 | Low | 53.7 | Low | 110 Ų | 110 | 126 Ų | 126 | 51% | 0.514 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -71.8 | -32.5 | 175.2 | -82.7 | 174.3 | 85.5 | 0 | 0 | 112.8 | Y196 Q198 R203 G204 | Y196-Q200 HydrophobicContact CE1-CG 4.5Å; Y196-Q200 PolarHBondContact O-N 2.84Å; Y196-Q200 PolarHBondContact O-NE2 3.16Å; Q198-Q200 PolarHBondContact O-N 2.84Å; Q200-R203 PolarHBondContact O-N 2.69Å; Q200-G204 PolarHBondContact O-N 2.9Å |
| 201 | Q | 52.7 | Low | 51.8 | Low | 139 Ų | 139 | 129 Ų | 129 | 65% | 0.65 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -65.4 | -39 | 175.5 | -72 | 175.2 | 11.4 | 0 | 0 | 111.4 | R197 Q198 R203 G204 | R197-Q201 WeakPolarHBondContact O-CG 3.32Å; R197-Q201 PolarHBondContact O-N 2.87Å; Q198-Q201 PolarHBondContact O-N 3.32Å; Q201-R203 VanDerWaalsContact C-N 3.34Å; Q201-R203 PolarHBondContact O-N 3.14Å; Q201-G204 PolarHBondContact O-N 3.48Å |
| 202 | H | 49.4 | Very low | 50.1 | Low | 149 Ų | 149 | 127.6 Ų | 127.6 | 69% | 0.69 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -77.3 | -13.2 | 176 | -67.8 | -53.2 | 0 | 0 | 0 | 115.1 | Q198 | Q198-H202 PolarHBondContact O-CD2 2.83Å; Q198-H202 PolarHBondContact O-N 2.97Å |
| 203 | R | 47.7 | Very low | 48.7 | Very low | 220 Ų | 220 | 135.8 Ų | 135.8 | 83% | 0.83 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -87.7 | -13.3 | 175.1 | -141.6 | -176.9 | -169.1 | -154.9 | 3 | 113.2 | Q199 Q200 Q201 | Q199-R203 PolarHBondContact O-N 2.85Å; Q200-R203 PolarHBondContact O-N 2.69Å; Q201-R203 VanDerWaalsContact C-N 3.34Å; Q201-R203 PolarHBondContact O-N 3.14Å |
| 204 | G | 45.2 | Very low | 47.4 | Very low | 69 Ų | 69 | 132.5 Ų | 132.5 | 71% | 0.711 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -79.8 | -15 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q200 Q201 | Q200-G204 PolarHBondContact O-N 2.9Å; Q201-G204 PolarHBondContact O-N 3.48Å |
| 205 | E | 46.9 | Very low | 46.4 | Very low | 169 Ų | 169 | 129.8 Ų | 129.8 | 79% | 0.79 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -107.4 | 1.4 | -170.1 | -140.9 | 167.6 | 121.8 | 0 | 0 | 114.3 | ||
| 206 | R | 42.5 | Very low | 45.2 | Very low | 205 Ų | 205 | 131 Ų | 131 | 77% | 0.774 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -123.5 | 40.2 | -177.4 | -147.9 | -174.5 | -174.1 | 179.5 | 1.8 | 113.3 | Y209 | R206-Y209 VanDerWaalsContact CG-OH 3.22Å; R206-Y209 WeakPolarHBondContact CG-OH 3.22Å |
| 207 | G | 41.4 | Very low | 43.8 | Very low | 75 Ų | 75 | 128.3 Ų | 128.3 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | trans | -138.8 | 25.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 208 | G | 42 | Very low | 42.8 | Very low | 68 Ų | 68 | 132.4 Ų | 132.4 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | trans | -118.1 | 39 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 209 | Y | 42.7 | Very low | 41.8 | Very low | 168 Ų | 168 | 138.6 Ų | 138.6 | 66% | 0.659 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -147.3 | 116.8 | 168.4 | 19.7 | -90.1 | 0 | 0 | 0 | 111.2 | R206 | R206-Y209 VanDerWaalsContact CG-OH 3.22Å; R206-Y209 WeakPolarHBondContact CG-OH 3.22Å |
| 210 | E | 37.3 | Very low | 40.7 | Very low | 202 Ų | 202 | 136.3 Ų | 136.3 | 94% | 0.944 | 79% | 0.787 | S | S | * | * | trans | 90.4 | 111.1 | 156.7 | -149.4 | 171.3 | 157.4 | 0 | 0 | 118.6 | ||||
| 211 | G | 35.5 | Very low | 39.6 | Very low | 77 Ų | 77 | 143.3 Ų | 143.3 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | trans | 127.7 | 88.3 | 140.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 212 | G | 36.5 | Very low | 38.6 | Very low | 75 Ų | 75 | 140.1 Ų | 140.1 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | 79.5 | 115.8 | 122.3 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 213 | R | 37.3 | Very low | 37.8 | Very low | 258 Ų | 258 | 145 Ų | 145 | 97% | 0.974 | 83% | 0.826 | S | S | * | * | trans | 65.7 | 114.4 | 134.3 | -68.1 | -175.9 | 176.5 | -172.8 | 0 | 120.7 | ||||
| 214 | G | 33.3 | Very low | 37.1 | Very low | 88 Ų | 88 | 138.5 Ų | 138.5 | 91% | 0.907 | 83% | 0.827 | S | S | * | * | trans | 118.9 | 125.3 | 146.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 215 | G | 35.5 | Very low | 36.6 | Very low | 82 Ų | 82 | 138.8 Ų | 138.8 | 85% | 0.845 | 83% | 0.83 | S | S | * | * | cis | 171.6 | 155.1 | 2.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 216 | G | 34.9 | Very low | 35.9 | Very low | 84 Ų | 84 | 139.7 Ų | 139.7 | 87% | 0.866 | 83% | 0.834 | S | S | * | * | trans | 105.1 | 111.1 | 158.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 217 | G | 30.8 | Very low | 35.5 | Very low | 77 Ų | 77 | 134.6 Ų | 134.6 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | trans | 161.6 | 85.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 218 | Y | 37.8 | Very low | 34.8 | Very low | 223 Ų | 223 | 137.1 Ų | 137.1 | 88% | 0.875 | 83% | 0.826 | S | S | * | * | trans | -59 | 151.7 | -176.6 | -58.4 | -98.1 | 0 | 0 | 0 | 116.3 | ||||
| 219 | R | 36.2 | Very low | 34.2 | Very low | 255 Ų | 255 | 143.5 Ų | 143.5 | 96% | 0.962 | 83% | 0.831 | S | S | * | * | trans | 124.4 | 119.4 | 155.7 | -72.3 | 176.8 | -167.4 | -166.5 | 6 | 109.8 | ||||
| 220 | G | 33.3 | Very low | 33.5 | Very low | 69 Ų | 69 | 141.2 Ų | 141.2 | 71% | 0.711 | 83% | 0.829 | S | S | * | * | cis | 166.9 | 157 | 6.6 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 221 | R | 33 | Very low | 33.1 | Very low | 258 Ų | 258 | 140.1 Ų | 140.1 | 97% | 0.974 | 82% | 0.824 | S | S | * | * | trans | 60.6 | 114.9 | 164.3 | -75.8 | -173 | 174.7 | -152.4 | -0.1 | 118.6 | ||||
| 222 | G | 31.9 | Very low | 32.7 | Very low | 71 Ų | 71 | 140 Ų | 140 | 73% | 0.732 | 82% | 0.823 | S | S | * | * | 131.3 | 95.4 | 113.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 223 | R | 33.3 | Very low | 32.2 | Very low | 252 Ų | 252 | 147.5 Ų | 147.5 | 95% | 0.951 | 83% | 0.83 | S | S | * | * | trans | 51.8 | 123 | 135.7 | -78.6 | -169.9 | 172.6 | -146.8 | -0.1 | 121.1 | ||||
| 224 | G | 32.6 | Very low | 31.8 | Very low | 84 Ų | 84 | 142.1 Ų | 142.1 | 87% | 0.866 | 82% | 0.82 | S | S | * | * | trans | 89.8 | 127.8 | 142.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 225 | G | 33.2 | Very low | 31.5 | Very low | 75 Ų | 75 | 140.6 Ų | 140.6 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | cis | 119.2 | 94 | 26.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 226 | Q | 33.5 | Very low | 31 | Very low | 187 Ų | 187 | 146.4 Ų | 146.4 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | 42.7 | 128.5 | 150.5 | -92.2 | 172.4 | -51.5 | 0 | 0 | 122.8 | ||||
| 227 | S | 32.8 | Very low | 30.6 | Very low | 99 Ų | 99 | 152.4 Ų | 152.4 | 69% | 0.692 | 80% | 0.8 | S | S | * | * | 76.6 | 109 | 125 | -62.2 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 228 | N | 28.6 | Very low | 30.5 | Very low | 127 Ų | 127 | 153.8 Ų | 153.8 | 68% | 0.679 | 80% | 0.798 | S | S | * | * | 80.2 | 140.9 | 109.9 | -138.5 | -7.5 | 0 | 0 | 0 | 122.3 | |||||
| 229 | Y | 27.7 | Very low | 30 | Very low | 203 Ų | 203 | 151.7 Ų | 151.7 | 80% | 0.796 | 80% | 0.796 | S | S | * | * | trans | 63.9 | 133 | 170.6 | -68.4 | -81.4 | 0 | 0 | 0 | 116.2 | ||||
| 230 | N | 27.7 | Very low | 29.4 | Very low | 119 Ų | 119 | 146.6 Ų | 146.6 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | cis | -177.2 | 158.8 | 41.8 | -156.9 | -0.3 | 0 | 0 | 0 | 111.1 | ||||
| 231 | Q | 29 | Very low | 29.1 | Very low | 179 Ų | 179 | 153.6 Ų | 153.6 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | trans | 15.2 | 139.7 | 151.2 | -72.7 | 161 | 16.6 | 0 | 0 | 122.8 | ||||
| 232 | G | 28 | Very low | 28.8 | Very low | 74 Ų | 74 | 144.5 Ų | 144.5 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | trans | 161 | 93.3 | 145.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 233 | Y | 26.4 | Very low | 28.8 | Very low | 233 Ų | 233 | 146.3 Ų | 146.3 | 91% | 0.914 | 78% | 0.782 | S | S | * | * | trans | 22.5 | 151.2 | 140.1 | -107.1 | -101.3 | 0 | 0 | 0 | 123.9 | ||||
| 234 | N | 27.9 | Very low | 28.5 | Very low | 146 Ų | 146 | 145.4 Ų | 145.4 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | trans | 86.3 | 127.9 | 165.9 | -112.5 | -42.9 | 0 | 0 | 0 | 116.3 | ||||
| 235 | G | 27 | Very low | 28.4 | Very low | 56 Ų | 56 | 144.3 Ų | 144.3 | 58% | 0.577 | 77% | 0.769 | S | S | * | * | cis | 134.5 | 123.5 | 8.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 236 | Y | 25.9 | Very low | 28.2 | Very low | 203 Ų | 203 | 148.4 Ų | 148.4 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | trans | 82 | 124.3 | 151.5 | -59.6 | -84.4 | 0 | 0 | 0 | 122.5 | ||||
| 237 | Y | 26.2 | Very low | 27.9 | Very low | 210 Ų | 210 | 142.1 Ų | 142.1 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | trans | 58.1 | 121.9 | 141.6 | -82.6 | -111.1 | 0 | 0 | 0 | 120.2 | ||||
| 238 | S | 27.9 | Very low | 27.7 | Very low | 107 Ų | 107 | 147.5 Ų | 147.5 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | 174.8 | 127.2 | 87.9 | -159.9 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 239 | Q | 27.7 | Very low | 27.9 | Very low | 179 Ų | 179 | 147.7 Ų | 147.7 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | trans | -62.9 | 142.5 | 146.3 | -73.7 | 153.8 | -33.9 | 0 | 0 | 108.4 | ||||
| 240 | N | 24.6 | Very low | 28.1 | Very low | 147 Ų | 147 | 146.5 Ų | 146.5 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | -171.9 | 150.2 | 122.4 | -138 | -28.5 | 0 | 0 | 0 | 113.7 | |||||
| 241 | Y | 27.1 | Very low | 28.1 | Very low | 216 Ų | 216 | 144.2 Ų | 144.2 | 85% | 0.847 | 77% | 0.773 | S | S | * | * | trans | -33 | 143.6 | 170.2 | -84.6 | -122.5 | 0 | 0 | 0 | 118.6 | ||||
| 242 | G | 26.8 | Very low | 28 | Very low | 67 Ų | 67 | 146.3 Ų | 146.3 | 69% | 0.691 | 77% | 0.774 | S | S | * | * | 81.5 | 108.4 | 99.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 243 | S | 31.4 | Very low | 28.1 | Very low | 109 Ų | 109 | 149.4 Ų | 149.4 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | 52.1 | 120.7 | 129.9 | -173.2 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 244 | Y | 27.2 | Very low | 28.1 | Very low | 234 Ų | 234 | 141.3 Ų | 141.3 | 92% | 0.918 | 76% | 0.761 | S | S | * | * | -168.2 | 130.2 | 122.1 | -104.5 | -78.9 | 0 | 0 | 0 | 109.6 | |||||
| 245 | G | 29.5 | Very low | 28.2 | Very low | 61 Ų | 61 | 144.9 Ų | 144.9 | 63% | 0.629 | 77% | 0.765 | S | S | * | * | trans | -94.8 | 174.2 | -178 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 246 | N | 29.9 | Very low | 28.2 | Very low | 160 Ų | 160 | 146.9 Ų | 146.9 | 86% | 0.856 | 78% | 0.776 | S | S | * | * | trans | 153.6 | 137.8 | 152 | -95.9 | -71.8 | 0 | 0 | 0 | 107.7 | ||||
| 247 | G | 27.3 | Very low | 28.2 | Very low | 56 Ų | 56 | 140.2 Ų | 140.2 | 58% | 0.577 | 77% | 0.769 | S | S | * | * | cis | 176.4 | 176.1 | 1.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 248 | Y | 29.1 | Very low | 28.3 | Very low | 212 Ų | 212 | 141.2 Ų | 141.2 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | trans | 68.4 | 137 | 156.8 | -59.2 | -76.9 | 0 | 0 | 0 | 118.2 | ||||
| 249 | N | 31.4 | Very low | 28.3 | Very low | 130 Ų | 130 | 142.9 Ų | 142.9 | 70% | 0.695 | 77% | 0.774 | S | S | * | * | cis | -170 | 168.2 | 6.7 | -165.9 | -56.5 | 0 | 0 | 0 | 108.9 | ||||
| 250 | Q | 31.6 | Very low | 28.4 | Very low | 179 Ų | 179 | 145.6 Ų | 145.6 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | trans | 87.1 | 113 | 160.5 | -55.8 | -176.6 | 19.5 | 0 | 0 | 116.6 | ||||
| 251 | G | 27.6 | Very low | 28.7 | Very low | 70 Ų | 70 | 143.1 Ų | 143.1 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | cis | 117.6 | 111.1 | 10.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 252 | Y | 28.2 | Very low | 28.7 | Very low | 223 Ų | 223 | 136.4 Ų | 136.4 | 88% | 0.875 | 77% | 0.769 | S | S | * | * | trans | -176.2 | 137.2 | 134.9 | -120.5 | -98.4 | 0 | 0 | 0 | 112.8 | ||||
| 253 | N | 29.8 | Very low | 28.9 | Very low | 139 Ų | 139 | 144.1 Ų | 144.1 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | trans | -13.6 | 150.7 | 168.8 | -74.3 | -60.3 | 0 | 0 | 0 | 119.7 | ||||
| 254 | G | 27.1 | Very low | 28.7 | Very low | 63 Ų | 63 | 145.1 Ų | 145.1 | 65% | 0.649 | 78% | 0.775 | S | S | * | * | cis | 141.8 | 146.7 | 11.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 255 | Y | 28.1 | Very low | 28.8 | Very low | 222 Ų | 222 | 145.1 Ų | 145.1 | 87% | 0.871 | 78% | 0.775 | S | S | * | * | trans | 95.9 | 105.1 | 165.2 | -82.3 | -91.3 | 0 | 0 | 0 | 122.2 | ||||
| 256 | A | 28 | Very low | 28.8 | Very low | 97 Ų | 97 | 147.9 Ų | 147.9 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | 50.7 | 138.1 | 127.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 257 | G | 26 | Very low | 28.8 | Very low | 63 Ų | 63 | 145.3 Ų | 145.3 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | cis | 167.1 | 169.2 | 8.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 258 | Y | 28.9 | Very low | 28.9 | Very low | 232 Ų | 232 | 153 Ų | 153 | 91% | 0.91 | 78% | 0.783 | S | S | * | * | trans | 75.1 | 105.8 | 162.1 | -65.5 | -78.5 | 0 | 0 | 0 | 121.8 | ||||
| 259 | D | 28.2 | Very low | 28.9 | Very low | 142 Ų | 142 | 145.9 Ų | 145.9 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | trans | 2.5 | 130.9 | 134.8 | -90.8 | -70.2 | 0 | 0 | 0 | 119.9 | ||||
| 260 | Y | 28.6 | Very low | 28.9 | Very low | 235 Ų | 235 | 151.4 Ų | 151.4 | 92% | 0.922 | 79% | 0.787 | S | S | * | * | trans | -143.5 | 122.6 | 135 | -136.1 | -96.7 | 0 | 0 | 0 | 110.5 | G262 | Y260-G262 PolarHBondContact O-N 3.14Š| ||
| 261 | S | 30.4 | Very low | 28.8 | Very low | 96 Ų | 96 | 146.4 Ų | 146.4 | 67% | 0.671 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 120.3 | 178.1 | -83.9 | 0 | 0 | 0 | 0 | 112.5 | ||
| 262 | G | 28.3 | Very low | 29.1 | Very low | 75 Ų | 75 | 151.7 Ų | 151.7 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 119.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y260 N264 | Y260-G262 PolarHBondContact O-N 3.14Å; G262-N264 PolarHBondContact O-N 2.91Å |
| 263 | Y | 30.5 | Very low | 29.1 | Very low | 229 Ų | 229 | 144.4 Ų | 144.4 | 90% | 0.898 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 125 | 173.9 | -88.3 | -90.8 | 0 | 0 | 0 | 111.3 | ||
| 264 | N | 26.9 | Very low | 29.2 | Very low | 129 Ų | 129 | 147.4 Ų | 147.4 | 69% | 0.69 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 124.7 | 179.9 | -175.6 | -65 | 0 | 0 | 0 | 111.1 | G262 | G262-N264 PolarHBondContact O-N 2.91Š|
| 265 | Y | 28.7 | Very low | 29.5 | Very low | 235 Ų | 235 | 152.3 Ų | 152.3 | 92% | 0.922 | 80% | 0.796 | S | S | * | * | trans | -89.3 | 108.2 | 167.5 | -128.6 | -94.1 | 0 | 0 | 0 | 108.1 | S267 | Y265-S267 PolarHBondContact O-N 3.28Š| ||
| 266 | N | 31.1 | Very low | 29.5 | Very low | 119 Ų | 119 | 148.4 Ų | 148.4 | 64% | 0.636 | 79% | 0.789 | S | S | * | * | trans | -82 | 117.9 | -176.9 | -127.9 | -25.6 | 0 | 0 | 0 | 110.8 | ||||
| 267 | S | 28.1 | Very low | 29.5 | Very low | 106 Ų | 106 | 153.9 Ų | 153.9 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | trans | -88.1 | 109.8 | 175.6 | 169 | 0 | 0 | 0 | 0 | 109.1 | Y265 G269 | Y265-S267 PolarHBondContact O-N 3.28Å; S267-G269 PolarHBondContact O-N 3.5Å; S267-G269 VanDerWaalsContact O-N 3.09Å | ||
| 268 | Y | 31.2 | Very low | 29.6 | Very low | 218 Ų | 218 | 158.1 Ų | 158.1 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | trans | -79.1 | 92.7 | 171.4 | -78.5 | -80.1 | 0 | 0 | 0 | 110.5 | ||||
| 269 | G | 28.1 | Very low | 29.6 | Very low | 61 Ų | 61 | 150.2 Ų | 150.2 | 63% | 0.629 | 79% | 0.787 | S | S | * | * | trans | -77.6 | 144.3 | 159.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | S267 G271 | S267-G269 PolarHBondContact O-N 3.5Å; S267-G269 VanDerWaalsContact O-N 3.09Å; G269-G271 PolarHBondContact O-N 2.8Å | ||
| 270 | Y | 30.6 | Very low | 29.7 | Very low | 247 Ų | 247 | 152.9 Ų | 152.9 | 97% | 0.969 | 80% | 0.796 | S | S | * | * | trans | -58.8 | 114.6 | 169 | -96 | -104.1 | 0 | 0 | 0 | 110.4 | ||||
| 271 | G | 30.4 | Very low | 29.8 | Very low | 73 Ų | 73 | 150.7 Ų | 150.7 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | trans | -106.9 | 117.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | G269 | G269-G271 PolarHBondContact O-N 2.8Š| ||
| 272 | Q | 33.5 | Very low | 29.8 | Very low | 181 Ų | 181 | 152.1 Ų | 152.1 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | -65.5 | 124.4 | 155.6 | -78.6 | -166.2 | 4.3 | 0 | 0 | 108.3 | ||||
| 273 | G | 29.1 | Very low | 29.9 | Very low | 71 Ų | 71 | 153 Ų | 153 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | trans | -111.9 | 115.1 | 169 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 274 | Y | 30.5 | Very low | 29.9 | Very low | 202 Ų | 202 | 152.9 Ų | 152.9 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | trans | -78 | 130.9 | 155.2 | -84 | -98 | 0 | 0 | 0 | 107.5 | ||||
| 275 | D | 34 | Very low | 30.1 | Very low | 166 Ų | 166 | 150.3 Ų | 150.3 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | trans | -128.5 | 117.3 | 160 | -84.8 | -49.2 | 0 | 0 | 0 | 108.8 | ||||
| 276 | D | 28 | Very low | 30.3 | Very low | 139 Ų | 139 | 149.6 Ų | 149.6 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | trans | -77.6 | 137.3 | 166.2 | -79.8 | -64.2 | 0 | 0 | 0 | 110.1 | ||||
| 277 | Y | 28.8 | Very low | 30.3 | Very low | 213 Ų | 213 | 148.9 Ų | 148.9 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | 172.2 | 114.9 | 113.2 | -110.3 | -101.3 | 0 | 0 | 0 | 112.5 | |||||
| 278 | N | 27 | Very low | 30.5 | Very low | 152 Ų | 152 | 149.1 Ų | 149.1 | 81% | 0.813 | 82% | 0.815 | S | S | * | * | 64.4 | 117 | 125.3 | -156.9 | 23.5 | 0 | 0 | 0 | 121.2 | |||||
| 279 | G | 29.1 | Very low | 30.6 | Very low | 65 Ų | 65 | 149.9 Ų | 149.9 | 67% | 0.67 | 82% | 0.817 | S | S | * | * | trans | 166.2 | 91.7 | 155.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 280 | Q | 31.6 | Very low | 30.8 | Very low | 199 Ų | 199 | 155.9 Ų | 155.9 | 93% | 0.93 | 83% | 0.828 | S | S | * | * | trans | 92.4 | 121.9 | 148.8 | -59.3 | -179.7 | 13.8 | 0 | 0 | 120.5 | ||||
| 281 | Q | 29.3 | Very low | 31 | Very low | 189 Ų | 189 | 150.4 Ų | 150.4 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | trans | -67.3 | 143.2 | 174.1 | -68 | 165 | -24.1 | 0 | 0 | 112 | ||||
| 282 | S | 31.5 | Very low | 31.3 | Very low | 126 Ų | 126 | 152.9 Ų | 152.9 | 88% | 0.881 | 82% | 0.821 | S | S | * | * | trans | -158.9 | 132.7 | 132.4 | -85.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 283 | S | 30.5 | Very low | 31.3 | Very low | 94 Ų | 94 | 149.1 Ų | 149.1 | 66% | 0.657 | 81% | 0.811 | S | S | * | * | trans | -51.1 | 142.7 | 175.6 | 173.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 284 | Y | 29.4 | Very low | 31.7 | Very low | 226 Ų | 226 | 153.3 Ų | 153.3 | 89% | 0.886 | 81% | 0.811 | S | S | * | * | 168.5 | 133.8 | 116 | -101 | -82.6 | 0 | 0 | 0 | 112.3 | |||||
| 285 | G | 31.7 | Very low | 32.1 | Very low | 75 Ų | 75 | 151.8 Ų | 151.8 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | trans | 87.4 | 92.5 | 140.8 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 286 | K | 31.7 | Very low | 32.2 | Very low | 220 Ų | 220 | 152 Ų | 152 | 96% | 0.957 | 81% | 0.812 | S | S | * | * | trans | -73.6 | 127.1 | 151.7 | -76.8 | -178 | 174.4 | 178.3 | 0 | 109 | ||||
| 287 | A | 32.4 | Very low | 32.5 | Very low | 104 Ų | 104 | 152.9 Ų | 152.9 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | trans | -135.4 | 138.2 | 159.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 288 | S | 31.6 | Very low | 32.9 | Very low | 110 Ų | 110 | 153.4 Ų | 153.4 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | trans | -93.4 | 156.9 | -167.1 | -49.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 289 | R | 34 | Very low | 33.5 | Very low | 235 Ų | 235 | 154.9 Ų | 154.9 | 89% | 0.887 | 82% | 0.821 | S | S | * | * | trans | 56.7 | 121.2 | 153.3 | -75.9 | -179.1 | 173.9 | 167 | -1.7 | 117.3 | ||||
| 290 | E | 32 | Very low | 34.6 | Very low | 187 Ų | 187 | 157 Ų | 157 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | -152.4 | 129.4 | 120.2 | -111.4 | 168.3 | -164.9 | 0 | 0 | 110.9 | |||||
| 291 | V | 35.7 | Very low | 35.6 | Very low | 131 Ų | 131 | 162.2 Ų | 162.2 | 79% | 0.794 | 84% | 0.836 | S | S | * | * | trans | -93.5 | 116.5 | 173.1 | 168.4 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 292 | T | 35 | Very low | 35.9 | Very low | 126 Ų | 126 | 160.9 Ų | 160.9 | 77% | 0.773 | 83% | 0.834 | S | S | * | * | trans | -109.3 | 106.3 | 170.9 | -51.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 293 | T | 35.4 | Very low | 36.1 | Very low | 102 Ų | 102 | 162.7 Ų | 162.7 | 63% | 0.626 | 83% | 0.831 | S | S | * | * | trans | -66.6 | 178.6 | 161.1 | 39.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 294 | H | 37.4 | Very low | 36.4 | Very low | 159 Ų | 159 | 166.5 Ų | 166.5 | 74% | 0.736 | 84% | 0.841 | S | S | * | * | trans | 107.5 | 133 | 172.8 | -59.8 | 81.3 | 0 | 0 | 0 | 112.7 | ||||
| 295 | Q | 38.9 | Very low | 36.9 | Very low | 170 Ų | 170 | 163 Ų | 163 | 79% | 0.794 | 84% | 0.838 | S | S | * | * | cis | -171.2 | 129.8 | -24.2 | -130.3 | 171.5 | -8.1 | 0 | 0 | 103.8 | ||||
| 296 | N | 35 | Very low | 37.2 | Very low | 171 Ų | 171 | 168.5 Ų | 168.5 | 91% | 0.914 | 84% | 0.842 | S | S | * | * | trans | -69.1 | 130 | 175.2 | -79.5 | -36.9 | 0 | 0 | 0 | 109.9 | ||||
| 297 | N | 35.3 | Very low | 37.6 | Very low | 157 Ų | 157 | 165.1 Ų | 165.1 | 84% | 0.84 | 84% | 0.835 | S | S | * | * | trans | -114.4 | 110.5 | 173.4 | -134.9 | 12.5 | 0 | 0 | 0 | 108.8 | ||||
| 298 | Y | 36.6 | Very low | 37.9 | Very low | 224 Ų | 224 | 169.4 Ų | 169.4 | 88% | 0.878 | 83% | 0.833 | S | S | * | * | trans | -141 | 121.4 | 168.1 | -134 | -90.2 | 0 | 0 | 0 | 107.3 | ||||
| 299 | Q | 39.7 | Very low | 38.4 | Very low | 182 Ų | 182 | 174 Ų | 174 | 85% | 0.85 | 84% | 0.838 | S | S | * | * | trans | -127.7 | 131.9 | 169 | -106.3 | -175.5 | -40.2 | 0 | 0 | 109.1 | ||||
| 300 | P | 53 | Low | 38.8 | Very low | 110 Ų | 110 | 168.9 Ų | 168.9 | 71% | 0.714 | 83% | 0.834 | S | S | * | * | trans | -92.2 | 158.8 | 178.5 | 36.1 | -32.6 | 0 | 0 | 0 | 112.2 | ||||
| 301 | Y | 51.3 | Low | 39.4 | Very low | 308 Ų | 308 | 167.3 Ų | 167.3 | 100% | 1.208 | 83% | 0.83 | S | S | * | * | trans | -116.3 | 0 | 143.7 | -95.1 | -81.7 | 0 | 0 | 0 | 107.8 |
Retrieved 301 of 301 residues in 58.9 ms
(Link to these results)