| 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 | 45.6 | Very low | 50.3 | Low | 251 Ų | 251 | 153 Ų | 153 | 100% | 1.236 | 86% | 0.864 | S | S | * | * | 0 | 137.4 | 0 | -126.6 | 151 | 177 | 0 | 0 | 107.6 | |||||
| 2 | A | 44.2 | Very low | 50.5 | Low | 105 Ų | 105 | 149.8 Ų | 149.8 | 87% | 0.868 | 85% | 0.85 | S | S | * | * | trans | 84.3 | 98 | -177.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 3 | A | 46.2 | Very low | 50.6 | Low | 93 Ų | 93 | 150 Ų | 150 | 77% | 0.769 | 86% | 0.857 | S | S | * | * | trans | -70.3 | 168.4 | 134.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 4 | P | 57.5 | Low | 50.7 | Low | 112 Ų | 112 | 146.4 Ų | 146.4 | 73% | 0.727 | 85% | 0.854 | S | S | * | * | cis | -151 | 177.1 | 33.9 | 31.9 | -5.7 | 0 | 0 | 0 | 116.7 | ||||
| 5 | R | 48.3 | Very low | 50.8 | Low | 236 Ų | 236 | 147.7 Ų | 147.7 | 89% | 0.891 | 86% | 0.856 | S | S | * | * | 153.2 | 108.8 | 119.7 | -86 | -179.3 | 166.1 | 159 | -3.8 | 110.5 | |||||
| 6 | G | 47.7 | Very low | 51 | Low | 79 Ų | 79 | 148.8 Ų | 148.8 | 81% | 0.814 | 86% | 0.856 | S | S | * | * | trans | -67.5 | 152.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 7 | R | 51.8 | Low | 51.2 | Low | 251 Ų | 251 | 148.5 Ų | 148.5 | 95% | 0.947 | 85% | 0.85 | S | S | * | * | trans | -132.9 | 129.4 | 163.3 | -103.7 | 177.3 | 145.6 | -165.5 | -7.5 | 108.4 | ||||
| 8 | A | 48.2 | Very low | 51 | Low | 106 Ų | 106 | 149.3 Ų | 149.3 | 88% | 0.876 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 139.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 9 | A | 55.7 | Low | 51.3 | Low | 79 Ų | 79 | 149.7 Ų | 149.7 | 65% | 0.653 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 142.9 | 163.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | W11 | A9-W11 PolarHBondContact O-N 3.37Š|
| 10 | P | 51.8 | Low | 51.4 | Low | 118 Ų | 118 | 147.2 Ų | 147.2 | 77% | 0.766 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 119.3 | -162.7 | 27.9 | -33.9 | 0 | 0 | 0 | 113.1 | T12 | P10-T12 PolarHBondContact O-N 3.19Š|
| 11 | W | 56 | Low | 51.5 | Low | 253 Ų | 253 | 145 Ų | 145 | 96% | 0.958 | 83% | 0.83 | S | S | * | * | trans | -79.5 | 81.8 | 168.4 | -64.5 | -36.5 | 0 | 0 | 0 | 111 | A9 | A9-W11 PolarHBondContact O-N 3.37Š| ||
| 12 | T | 53.5 | Low | 52 | Low | 114 Ų | 114 | 141.3 Ų | 141.3 | 70% | 0.699 | 81% | 0.81 | S | S | * | * | trans | -152.7 | 91.2 | 166.9 | 48.2 | 0 | 0 | 0 | 0 | 109.3 | P10 | P10-T12 PolarHBondContact O-N 3.19Š| ||
| 13 | T | 51.6 | Low | 52.5 | Low | 153 Ų | 153 | 143.4 Ų | 143.4 | 94% | 0.939 | 81% | 0.805 | S | S | * | * | S | Bend | trans | 163.7 | 54.1 | 147.7 | 44 | 0 | 0 | 0 | 0 | 111.8 | ||
| 14 | A | 51.3 | Low | 52.9 | Low | 99 Ų | 99 | 146.6 Ų | 146.6 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -143.8 | 49.1 | 168 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 15 | L | 53.1 | Low | 52.9 | Low | 167 Ų | 167 | 145.6 Ų | 145.6 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | -160.2 | 63.7 | 170.1 | -150.3 | 81.5 | 0 | 0 | 0 | 112 | ||||
| 16 | L | 53.9 | Low | 52.9 | Low | 165 Ų | 165 | 139.9 Ų | 139.9 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | trans | -154.1 | 134.1 | 160.4 | -143.8 | 73.9 | 0 | 0 | 0 | 109.7 | ||||
| 17 | L | 53.6 | Low | 52.9 | Low | 144 Ų | 144 | 139.2 Ų | 139.2 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | trans | 92.4 | 61.4 | -178.8 | -51.7 | 174.9 | 0 | 0 | 0 | 116.2 | ||||
| 18 | L | 48 | Very low | 52.6 | Low | 163 Ų | 163 | 131.7 Ų | 131.7 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | trans | -123.1 | 70.2 | 137.8 | -97.8 | 150 | 0 | 0 | 0 | 107.8 | T20 | L18-T20 VanDerWaalsContact C-N 3.26Å; L18-T20 HydrophobicContact CD2-CG2 4.3Å; L18-T20 PolarHBondContact O-N 3.42Å | ||
| 19 | L | 56.3 | Low | 52.2 | Low | 156 Ų | 156 | 132.8 Ų | 132.8 | 82% | 0.817 | 78% | 0.776 | S | S | * | * | trans | -75.2 | 85.9 | 158.5 | -105.1 | 133.3 | 0 | 0 | 0 | 106.8 | ||||
| 20 | T | 52.9 | Low | 52 | Low | 100 Ų | 100 | 130.3 Ų | 130.3 | 61% | 0.613 | 76% | 0.756 | S | S | * | * | trans | -107.4 | 92.3 | 152.8 | 54.6 | 0 | 0 | 0 | 0 | 105.7 | L18 Q22 | L18-T20 VanDerWaalsContact C-N 3.26Å; L18-T20 HydrophobicContact CD2-CG2 4.3Å; L18-T20 PolarHBondContact O-N 3.42Å; T20-Q22 VanDerWaalsContact C-N 3.34Å; T20-Q22 PolarHBondContact O-N 3.04Å | ||
| 21 | S | 53.6 | Low | 52.2 | Low | 100 Ų | 100 | 131.9 Ų | 131.9 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | trans | -54.3 | 104.2 | 163.3 | 51.4 | 0 | 0 | 0 | 0 | 107 | I23 | S21-I23 PolarHBondContact O-N 3.47Š| ||
| 22 | Q | 57.3 | Low | 52.5 | Low | 175 Ų | 175 | 126.4 Ų | 126.4 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | trans | -56.1 | 116.2 | 166.8 | -68.6 | -80.8 | 76.8 | 0 | 0 | 105.5 | T20 L24 | T20-Q22 VanDerWaalsContact C-N 3.34Å; T20-Q22 PolarHBondContact O-N 3.04Å; Q22-L24 PolarHBondContact O-N 3.21Å; Q22-L24 VanDerWaalsContact O-N 3.12Å | ||
| 23 | I | 55.1 | Low | 53.4 | Low | 149 Ų | 149 | 126.5 Ų | 126.5 | 76% | 0.764 | 74% | 0.736 | S | S | * | * | trans | -49.3 | 118.9 | 176.1 | -69.9 | 154.6 | 0 | 0 | 0 | 106.7 | S21 S25 | S21-I23 PolarHBondContact O-N 3.47Å; I23-S25 PolarHBondContact O-N 2.93Å | ||
| 24 | L | 54.7 | Low | 55 | Low | 160 Ų | 160 | 127.7 Ų | 127.7 | 84% | 0.838 | 73% | 0.73 | S | S | * | * | trans | -62.5 | 93.8 | 164 | -177.9 | 69.1 | 0 | 0 | 0 | 105.5 | Q22 P26 | Q22-L24 PolarHBondContact O-N 3.21Å; Q22-L24 VanDerWaalsContact O-N 3.12Å; L24-P26 VanDerWaalsContact O-CD 3.22Å; L24-P26 WeakPolarHBondContact O-CD 3.35Å; L24-P26 VanDerWaalsContact O-N 3.17Å | ||
| 25 | S | 56.3 | Low | 56.8 | Low | 91 Ų | 91 | 125.6 Ų | 125.6 | 64% | 0.636 | 71% | 0.707 | S | S | * | * | trans | -57.9 | 118.7 | 161.4 | -63.6 | 0 | 0 | 0 | 0 | 105.4 | I23 G27 | I23-S25 PolarHBondContact O-N 2.93Å; S25-G27 VanDerWaalsContact C-N 3.33Å; S25-G27 PolarHBondContact O-N 2.81Å | ||
| 26 | P | 49.1 | Very low | 58.7 | Low | 116 Ų | 116 | 119.8 Ų | 119.8 | 75% | 0.753 | 68% | 0.679 | S | S | * | * | trans | -58.1 | 115.1 | 154.4 | 27.2 | -27.8 | 0 | 0 | 0 | 103.5 | L24 S28 | L24-P26 VanDerWaalsContact O-CD 3.22Å; L24-P26 WeakPolarHBondContact O-CD 3.35Å; L24-P26 VanDerWaalsContact O-N 3.17Å; P26-S28 PolarHBondContact O-N 3.37Å | ||
| 27 | G | 46.7 | Very low | 60.5 | Low | 64 Ų | 64 | 121 Ų | 121 | 66% | 0.66 | 68% | 0.681 | S | S | * | * | trans | -53.8 | 103 | 164.3 | 0 | 0 | 0 | 0 | 0 | 105 | S25 C29 | S25-G27 VanDerWaalsContact C-N 3.33Å; S25-G27 PolarHBondContact O-N 2.81Å; G27-C29 PolarHBondContact O-N 3.21Å | ||
| 28 | S | 45.7 | Very low | 62.4 | Low | 93 Ų | 93 | 119.1 Ų | 119.1 | 65% | 0.65 | 67% | 0.668 | S | S | * | * | trans | -63.3 | 98.3 | 163.5 | 178.8 | 0 | 0 | 0 | 0 | 103.6 | P26 A30 | P26-S28 PolarHBondContact O-N 3.37Å; S28-A30 PolarHBondContact O-N 3.37Å; S28-A30 WeakPolarHBondContact OG-CB 3.09Å; S28-A30 PolarHBondContact OG-N 3.46Å | ||
| 29 | C | 41 | Very low | 64.7 | Low | 130 Ų | 130 | 113.6 Ų | 113.6 | 88% | 0.878 | 64% | 0.636 | S | S | * | * | trans | -69.7 | 32.7 | 165.6 | -62.6 | 0 | 0 | 0 | 0 | 110.7 | G27 | G27-C29 PolarHBondContact O-N 3.21Š| ||
| 30 | A | 51 | Low | 66.6 | Low | 27 Ų | 27 | 110.1 Ų | 110.1 | 22% | 0.223 | 62% | 0.621 | C | S | . | * | trans | -103.6 | 88.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 104.2 | S28 E32 | S28-A30 PolarHBondContact O-N 3.37Å; S28-A30 WeakPolarHBondContact OG-CB 3.09Å; S28-A30 PolarHBondContact OG-N 3.46Å; A30-E32 HydrophobicContact CB-CG 3.97Å; A30-E32 WeakPolarHBondContact CB-OE1 3.37Å; A30-E32 PolarHBondContact O-N 2.74Å | ||
| 31 | D | 54.9 | Low | 68.7 | Low | 151 Ų | 151 | 109.4 Ų | 109.4 | 81% | 0.807 | 61% | 0.613 | S | S | * | * | trans | -59.9 | 84 | 149 | -77.4 | -46 | 0 | 0 | 0 | 105.2 | E33 | D31-E33 PolarHBondContact O-N 3.05Š| ||
| 32 | E | 63.8 | Low | 70.8 | Confident | 137 Ų | 137 | 107.1 Ų | 107.1 | 64% | 0.64 | 59% | 0.593 | S | S | * | * | trans | -69.9 | 75.9 | 164.2 | -61.8 | -76 | 132.1 | 0 | 0 | 104.6 | A30 E34 | A30-E32 HydrophobicContact CB-CG 3.97Å; A30-E32 WeakPolarHBondContact CB-OE1 3.37Å; A30-E32 PolarHBondContact O-N 2.74Å; E32-E34 PolarHBondContact O-N 3.27Å; E32-E34 VanDerWaalsContact O-N 3.12Å | ||
| 33 | E | 71.5 | Confident | 72.7 | Confident | 117 Ų | 117 | 103.3 Ų | 103.3 | 55% | 0.547 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -56.4 | 120 | -179.4 | -177.3 | 165.3 | -176.5 | 0 | 0 | 108.4 | D31 V35 R68 | D31-E33 PolarHBondContact O-N 3.05Å; E33-V35 PolarHBondContact O-N 3.41Å; E33-V35 VanDerWaalsContact O-N 3.14Å; E33-R68 PolarHBondContact O-NH1 3.33Å; E33-R68 VanDerWaalsContact O-NH1 3.08Å |
| 34 | E | 84.6 | Confident | 74.7 | Confident | 178 Ų | 178 | 99.7 Ų | 99.7 | 83% | 0.832 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 120.2 | -172.3 | -168.1 | 169.6 | -172.4 | 0 | 0 | 109.9 | E32 | E32-E34 PolarHBondContact O-N 3.27Å; E32-E34 VanDerWaalsContact O-N 3.12Å |
| 35 | V | 90.2 | Very high | 76.8 | Confident | 55 Ų | 55 | 94.1 Ų | 94.1 | 33% | 0.333 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -86 | 126.1 | 178.9 | 177.3 | 0 | 0 | 0 | 0 | 107.1 | E33 W39 Y134 | E33-V35 PolarHBondContact O-N 3.41Å; E33-V35 VanDerWaalsContact O-N 3.14Å; V35-W39 HydrophobicContact CG1-CB 3.98Å; V35-W39 HydrophobicContact CG1-CE3 4.08Å; V35-Y134 HydrophobicContact CG1-CD1 4.18Å; V35-Y134 HydrophobicContact CG1-CE1 3.76Å; V35-Y134 HydrophobicContact CG2-CE1 4.41Å |
| 36 | P | 92.8 | Very high | 78.8 | Confident | 44 Ų | 44 | 96 Ų | 96 | 29% | 0.286 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 142.9 | 177.2 | -24.4 | 33.3 | 0 | 0 | 0 | 112.2 | E38 W39 | P36-E38 WeakPolarHBondContact CB-OE2 2.91Å; P36-E38 PolarHBondContact O-N 3.14Å; P36-W39 HydrophobicContact CB-CD2 4.39Å; P36-W39 HydrophobicContact CB-CG 4.22Å; P36-W39 HydrophobicContact CG-CD2 4Å; P36-W39 HydrophobicContact CG-CE3 4.41Å; P36-W39 HydrophobicContact CG-CG 4.35Å; P36-W39 HydrophobicContact CG-CH2 4.46Å; P36-W39 HydrophobicContact CG-CZ2 4.1Å; P36-W39 WeakPolarHBondContact O-CB 3.13Å; P36-W39 PolarHBondContact O-N 2.73Å; P36-W39 VanDerWaalsContact O-N 3.07Å |
| 37 | E | 91.1 | Very high | 81.1 | Confident | 192 Ų | 192 | 91.8 Ų | 91.8 | 90% | 0.897 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -24.4 | -178.1 | -65.7 | -171.7 | 174.2 | 0 | 0 | 112.6 | W39 | E37-W39 PolarHBondContact O-N 2.62Š|
| 38 | E | 94 | Very high | 83.5 | Confident | 103 Ų | 103 | 94.3 Ų | 94.3 | 48% | 0.481 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -10.5 | 179.8 | -46.6 | 79.7 | -167.2 | 0 | 0 | 112.7 | P36 G137 T138 | P36-E38 WeakPolarHBondContact CB-OE2 2.91Å; P36-E38 PolarHBondContact O-N 3.14Å; E38-G137 PolarHBondContact O-N 2.89Å; E38-T138 HydrophobicContact CB-CG2 4.01Å; E38-T138 HydrophobicContact CG-CG2 4.1Å |
| 39 | W | 95.7 | Very high | 86 | Confident | 47 Ų | 47 | 90.3 Ų | 90.3 | 18% | 0.178 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 125.1 | -178.7 | -71.2 | 12.5 | 0 | 0 | 0 | 111.4 | V35 P36 E37 V66 Y134 Y135 D136 | V35-W39 HydrophobicContact CG1-CB 3.98Å; V35-W39 HydrophobicContact CG1-CE3 4.08Å; P36-W39 HydrophobicContact CB-CD2 4.39Å; P36-W39 HydrophobicContact CB-CG 4.22Å; P36-W39 HydrophobicContact CG-CD2 4Å; P36-W39 HydrophobicContact CG-CE3 4.41Å; P36-W39 HydrophobicContact CG-CG 4.35Å; P36-W39 HydrophobicContact CG-CH2 4.46Å; P36-W39 HydrophobicContact CG-CZ2 4.1Å; P36-W39 WeakPolarHBondContact O-CB 3.13Å; P36-W39 PolarHBondContact O-N 2.73Å; P36-W39 VanDerWaalsContact O-N 3.07Å; E37-W39 PolarHBondContact O-N 2.62Å; W39-V66 HydrophobicContact CE3-CB 4.39Å; W39-V66 HydrophobicContact CE3-CG1 4.42Å; W39-V66 HydrophobicContact CH2-CB 4.14Å; W39-V66 HydrophobicContact CH2-CG1 3.63Å; W39-V66 HydrophobicContact CH2-CG2 3.99Å; W39-V66 HydrophobicContact CZ2-CB 4.4Å; W39-V66 HydrophobicContact CZ2-CG1 4.3Å; W39-V66 HydrophobicContact CZ2-CG2 3.79Å; W39-V66 HydrophobicContact CZ3-CB 4.11Å; W39-V66 HydrophobicContact CZ3-CG1 3.68Å; W39-V66 HydrophobicContact CZ3-CG2 4.39Å; W39-Y134 HydrophobicContact CB-CD1 4.15Å; W39-Y134 HydrophobicContact CB-CG 4.49Å; W39-Y134 HydrophobicContact CE3-CD1 4.46Å; W39-Y134 HydrophobicContact CE3-CD2 4.28Å; W39-Y134 HydrophobicContact CE3-CG 4.05Å; W39-Y135 WeakPolarHBondContact CA-O 3.36Å; W39-D136 PolarHBondContact NE1-OD1 2.79Å; W39-D136 PolarHBondContact NE1-OD2 2.84Å |
| 40 | V | 96.6 | Very high | 88.7 | Confident | 84 Ų | 84 | 85.6 Ų | 85.6 | 51% | 0.509 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 118.2 | 177 | -177.5 | 0 | 0 | 0 | 0 | 109.1 | L42 Y134 Y135 | V40-L42 PolarHBondContact O-N 3.3Å; V40-Y134 CarbonylContact O-C 3.58Å; V40-Y134 VanDerWaalsContact O-CA 3.32Å; V40-Y134 WeakPolarHBondContact O-CA 3.26Å; V40-Y135 PolarHBondContact N-O 3.26Å; V40-Y135 PolarHBondContact O-N 2.97Å |
| 41 | L | 97.4 | Very high | 90.9 | Very high | 84 Ų | 84 | 86.5 Ų | 86.5 | 44% | 0.44 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 116.5 | 173.8 | -179.5 | 65.5 | 0 | 0 | 0 | 109.7 | H43 V44 K132 Y134 | L41-H43 WeakPolarHBondContact CD1-O 3.42Å; L41-V44 HydrophobicContact CD1-CG2 4.18Å; L41-V44 HydrophobicContact CD2-CG2 3.95Å; L41-V44 HydrophobicContact CG-CG2 4.44Å; L41-K132 HydrophobicContact CD1-CB 3.84Å; L41-K132 HydrophobicContact CD1-CG 4.37Å; L41-Y134 HydrophobicContact CB-CD1 3.99Å; L41-Y134 HydrophobicContact CB-CE1 3.82Å; L41-Y134 HydrophobicContact CD1-CD1 4.06Å; L41-Y134 HydrophobicContact CD1-CE1 3.7Å; L41-Y134 HydrophobicContact CD1-CE2 4.33Å; L41-Y134 HydrophobicContact CG-CE1 4.31Å |
| 42 | L | 97.2 | Very high | 93 | Very high | 53 Ų | 53 | 81.1 Ų | 81.1 | 28% | 0.277 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | -50.7 | 177.6 | -58.9 | -177.7 | 0 | 0 | 0 | 111.6 | V40 H61 I65 V133 | V40-L42 PolarHBondContact O-N 3.3Å; L42-H61 HydrophobicContact CD1-CB 4.26Å; L42-I65 HydrophobicContact CD1-CD1 3.89Å; L42-V133 WeakPolarHBondContact CB-O 3.45Å; L42-V133 PolarHBondContact N-O 2.87Å |
| 43 | H | 97.3 | Very high | 94.6 | Very high | 94 Ų | 94 | 79.4 Ų | 79.4 | 44% | 0.435 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 152.1 | -172.5 | -64.2 | -75.1 | 0 | 0 | 0 | 111.6 | L41 H61 V133 | L41-H43 WeakPolarHBondContact CD1-O 3.42Å; H43-H61 AromaticContact CD2-NE2 3.69Å; H43-H61 AromaticContact NE2-NE2 3.19Å; H43-H61 PolarHBondContact NE2-NE2 3.42Å; H43-H61 VanDerWaalsContact NE2-NE2 3.19Å; H43-V133 HydrophobicContact CB-CB 4.14Å; H43-V133 HydrophobicContact CB-CG2 4.24Å; H43-V133 PolarHBondContact N-O 3.12Å; H43-V133 PolarHBondContact O-N 2.98Å |
| 44 | V | 97.9 | Very high | 95.9 | Very high | 74 Ų | 74 | 75.8 Ų | 75.8 | 45% | 0.448 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 126 | 164.9 | -175.2 | 0 | 0 | 0 | 0 | 107.4 | L41 E130 M131 K132 | L41-V44 HydrophobicContact CD1-CG2 4.18Å; L41-V44 HydrophobicContact CD2-CG2 3.95Å; L41-V44 HydrophobicContact CG-CG2 4.44Å; V44-E130 HydrophobicContact CG1-CG 3.78Å; V44-M131 WeakPolarHBondContact CA-O 3.38Å; V44-K132 HydrophobicContact CG1-CG 4.43Å; V44-K132 HydrophobicContact CG2-CG 4.25Å |
| 45 | V | 97.7 | Very high | 96.5 | Very high | 42 Ų | 42 | 69.3 Ų | 69.3 | 26% | 0.255 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 130.3 | -179.2 | -176.8 | 0 | 0 | 0 | 0 | 107.9 | L57 E130 M131 | V45-L57 HydrophobicContact CG1-CD1 4.09Å; V45-L57 HydrophobicContact CG1-CD2 4.42Å; V45-E130 CarbonylContact O-C 3.53Å; V45-E130 WeakPolarHBondContact O-CA 3.22Å; V45-M131 PolarHBondContact N-O 3.04Å; V45-M131 PolarHBondContact O-N 3.24Å |
| 46 | Q | 97.9 | Very high | 96.9 | Very high | 132 Ų | 132 | 71 Ų | 71 | 62% | 0.617 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 147.6 | 173.4 | -69.6 | 178.6 | -17 | 0 | 0 | 109.3 | F129 E130 | Q46-F129 WeakPolarHBondContact CA-O 3.48Å; Q46-E130 HydrophobicContact CG-CB 4.09Å; Q46-E130 HydrophobicContact CG-CG 4.01Å; Q46-E130 PolarHBondContact NE2-OE2 3.37Å |
| 47 | G | 97.3 | Very high | 97.1 | Very high | 27 Ų | 27 | 71 Ų | 71 | 28% | 0.278 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | 167.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | E128 F129 | G47-E128 WeakPolarHBondContact O-CA 3.38Å; G47-F129 PolarHBondContact N-O 3.27Å; G47-F129 VanDerWaalsContact N-O 3.09Å; G47-F129 WeakPolarHBondContact O-CD1 3.34Å; G47-F129 PolarHBondContact O-N 2.93Å |
| 48 | Q | 98 | Very high | 97.5 | Very high | 116 Ų | 116 | 69.8 Ų | 69.8 | 54% | 0.542 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 133.3 | 178.2 | -175.2 | 177.4 | 52 | 0 | 0 | 108.6 | E126 S127 E128 | Q48-E126 HydrophobicContact CG-CG 3.54Å; Q48-E126 PolarHBondContact NE2-OE1 3.26Å; Q48-E126 VanDerWaalsContact NE2-OE1 3.11Å; Q48-E126 PolarHBondContact NE2-OE2 3.27Å; Q48-S127 CarbonylContact C-O 3.59Å; Q48-S127 WeakPolarHBondContact CA-O 3.49Å; Q48-E128 HydrophobicContact CB-CG 4.28Å; Q48-E128 HydrophobicContact CG-CG 3.92Å; Q48-E128 PolarHBondContact NE2-OE1 2.97Å |
| 49 | I | 98 | Very high | 97.7 | Very high | 9 Ų | 9 | 65.4 Ų | 65.4 | 5% | 0.046 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 133.9 | -172.4 | -58.6 | 157.5 | 0 | 0 | 0 | 108.7 | N53 V118 E126 S127 F129 | I49-N53 HydrophobicContact CG2-CB 4.23Å; I49-N53 WeakPolarHBondContact CG2-O 3.13Å; I49-V118 HydrophobicContact CD1-CB 3.62Å; I49-V118 HydrophobicContact CD1-CG1 3.34Å; I49-E126 WeakPolarHBondContact O-CA 3.24Å; I49-S127 PolarHBondContact N-O 3.4Å; I49-S127 PolarHBondContact O-N 3.39Å; I49-F129 HydrophobicContact CD1-CD1 3.79Å; I49-F129 HydrophobicContact CD1-CE1 3.34Å; I49-F129 HydrophobicContact CD1-CZ 4.25Å; I49-F129 HydrophobicContact CG1-CD1 4.48Å; I49-F129 HydrophobicContact CG1-CE1 3.94Å |
| 50 | G | 98.3 | Very high | 97.7 | Very high | 31 Ų | 31 | 68.2 Ų | 68.2 | 32% | 0.32 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 158.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | G52 N53 | G50-G52 PolarHBondContact O-N 3.24Å; G50-N53 WeakPolarHBondContact O-CB 3.28Å; G50-N53 PolarHBondContact O-N 3.13Å |
| 51 | A | 97.9 | Very high | 97.7 | Very high | 46 Ų | 46 | 68 Ų | 68 | 38% | 0.38 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | 126.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | N53 H124 L125 | A51-N53 PolarHBondContact O-N 3.24Å; A51-H124 WeakPolarHBondContact CB-O 3.43Å; A51-L125 PolarHBondContact N-O 3.48Å |
| 52 | G | 97.1 | Very high | 97.6 | Very high | 39 Ų | 39 | 70 Ų | 70 | 40% | 0.402 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 11.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | G50 Y119 G120 | G50-G52 PolarHBondContact O-N 3.24Å; G52-Y119 VanDerWaalsContact C-CE2 3.48Å; G52-G120 PolarHBondContact N-O 2.82Å |
| 53 | N | 98.3 | Very high | 97.5 | Very high | 101 Ų | 101 | 68.3 Ų | 68.3 | 54% | 0.54 | 37% | 0.366 | S | S | . | . | trans | -111.5 | 169.2 | -179.3 | -156.6 | 0.6 | 0 | 0 | 0 | 111.9 | I49 G50 A51 Y119 G120 | I49-N53 HydrophobicContact CG2-CB 4.23Å; I49-N53 WeakPolarHBondContact CG2-O 3.13Å; G50-N53 WeakPolarHBondContact O-CB 3.28Å; G50-N53 PolarHBondContact O-N 3.13Å; A51-N53 PolarHBondContact O-N 3.24Å; N53-Y119 WeakPolarHBondContact O-CD2 3.44Å; N53-G120 PolarHBondContact O-N 2.82Å | ||
| 54 | Y | 98.1 | Very high | 97.5 | Very high | 40 Ų | 40 | 65.9 Ų | 65.9 | 16% | 0.157 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 146.6 | -178 | -75 | -90.1 | 0 | 0 | 0 | 112.8 | Y56 Y79 S88 F89 V118 Y119 | Y54-Y56 VanDerWaalsContact CB-CE2 3.5Å; Y54-Y56 VanDerWaalsContact CB-CZ 3.43Å; Y54-Y56 HydrophobicContact CD1-CE1 4.07Å; Y54-Y56 HydrophobicContact CG-CE1 4.22Å; Y54-Y56 HydrophobicContact CG-CE2 4.27Å; Y54-Y56 AromaticContact CG-CZ 3.71Å; Y54-Y79 HydrophobicContact CE1-CD2 4.4Å; Y54-S88 WeakPolarHBondContact OH-CA 3.34Å; Y54-F89 WeakPolarHBondContact OH-CD1 3.48Å; Y54-F89 PolarHBondContact OH-N 3.08Å; Y54-V118 CarbonylContact C-O 3.58Å; Y54-V118 VanDerWaalsContact CA-O 3.3Å; Y54-V118 WeakPolarHBondContact CA-O 3.33Å; Y54-Y119 HydrophobicContact CD1-CD2 4.1Å; Y54-Y119 AromaticContact CD2-CD2 3.83Å; Y54-Y119 HydrophobicContact CD2-CD2 3.83Å; Y54-Y119 HydrophobicContact CD2-CE2 4.32Å; Y54-Y119 AromaticContact CE1-CD2 3.66Å; Y54-Y119 HydrophobicContact CE1-CD2 3.66Å; Y54-Y119 AromaticContact CE1-CG 3.93Å; Y54-Y119 HydrophobicContact CE1-CG 3.93Å; Y54-Y119 AromaticContact CE2-CD2 3.36Å; Y54-Y119 HydrophobicContact CE2-CD2 3.36Å; Y54-Y119 AromaticContact CE2-CE2 3.68Å; Y54-Y119 HydrophobicContact CE2-CE2 3.68Å; Y54-Y119 HydrophobicContact CE2-CG 4.37Å; Y54-Y119 HydrophobicContact CG-CD2 4.17Å; Y54-Y119 AromaticContact CZ-CD2 3.24Å; Y54-Y119 AromaticContact CZ-CE2 3.88Å; Y54-Y119 AromaticContact CZ-CG 3.83Å |
| 55 | S | 97.9 | Very high | 97.5 | Very high | 43 Ų | 43 | 62.4 Ų | 62.4 | 30% | 0.301 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 133.2 | 156.8 | -174.9 | 0 | 0 | 0 | 0 | 109.2 | V118 | S55-V118 PolarHBondContact N-O 3.32Å; S55-V118 PolarHBondContact O-N 2.82Å |
| 56 | Y | 98.4 | Very high | 97.5 | Very high | 89 Ų | 89 | 60.6 Ų | 60.6 | 35% | 0.349 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 130.8 | -177 | -63.9 | -72.1 | 0 | 0 | 0 | 111.7 | Y54 H86 P87 I116 | Y54-Y56 VanDerWaalsContact CB-CE2 3.5Å; Y54-Y56 VanDerWaalsContact CB-CZ 3.43Å; Y54-Y56 HydrophobicContact CD1-CE1 4.07Å; Y54-Y56 HydrophobicContact CG-CE1 4.22Å; Y54-Y56 HydrophobicContact CG-CE2 4.27Å; Y54-Y56 AromaticContact CG-CZ 3.71Å; Y56-H86 HydrophobicContact CD1-CB 4.26Å; Y56-H86 AromaticContact CD2-CD2 3.77Å; Y56-H86 HydrophobicContact CE1-CB 3.86Å; Y56-H86 AromaticContact CE2-CD2 3.98Å; Y56-H86 AromaticContact CG-CD2 3.88Å; Y56-P87 WeakPolarHBondContact CE1-O 3.33Å; Y56-I116 CarbonylContact C-O 3.54Å; Y56-I116 WeakPolarHBondContact CA-O 3.34Å |
| 57 | L | 98.1 | Very high | 97.5 | Very high | 46 Ų | 46 | 54.3 Ų | 54.3 | 24% | 0.241 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 154.6 | 179 | -59.4 | 164.8 | 0 | 0 | 0 | 109.7 | V45 I116 M131 | V45-L57 HydrophobicContact CG1-CD1 4.09Å; V45-L57 HydrophobicContact CG1-CD2 4.42Å; L57-I116 HydrophobicContact CB-CB 4.15Å; L57-I116 PolarHBondContact N-O 2.76Å; L57-I116 PolarHBondContact O-N 3.37Å; L57-M131 HydrophobicContact CD1-CE 3.38Å |
| 58 | R | 98.1 | Very high | 97.5 | Very high | 166 Ų | 166 | 55.3 Ų | 55.3 | 63% | 0.626 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 123.6 | 178.7 | -60.7 | -176.5 | -176.8 | -179.4 | -1.6 | 109.7 | L85 | R58-L85 HydrophobicContact CG-CD2 4.17Å |
| 59 | L | 97.9 | Very high | 97.4 | Very high | 10 Ų | 10 | 50 Ų | 50 | 5% | 0.052 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 112.6 | 176 | 176.8 | 67.9 | 0 | 0 | 0 | 110 | H61 I65 I106 P113 V114 I116 V133 | L59-H61 HydrophobicContact CD1-CB 4.05Å; L59-I65 HydrophobicContact CD1-CG1 4.42Å; L59-I65 HydrophobicContact CD1-CG2 4.15Å; L59-I65 HydrophobicContact CD2-CB 3.92Å; L59-I65 HydrophobicContact CD2-CG1 4.02Å; L59-I65 HydrophobicContact CD2-CG2 3.75Å; L59-I106 HydrophobicContact CD2-CD1 3.48Å; L59-I106 VanDerWaalsContact CD2-CD1 3.48Å; L59-P113 CarbonylContact O-C 3.53Å; L59-P113 VanDerWaalsContact O-CA 3.3Å; L59-P113 WeakPolarHBondContact O-CA 3.39Å; L59-V114 HydrophobicContact CB-CB 4.24Å; L59-V114 HydrophobicContact CD2-CB 4.48Å; L59-V114 PolarHBondContact N-O 2.86Å; L59-V114 PolarHBondContact O-N 2.73Å; L59-I116 HydrophobicContact CB-CD1 3.87Å; L59-V133 HydrophobicContact CD1-CG1 4.36Å |
| 60 | N | 97.4 | Very high | 97.2 | Very high | 107 Ų | 107 | 54.2 Ų | 54.2 | 57% | 0.572 | 28% | 0.279 | S | S | * | . | trans | -99.4 | -12.9 | 177.1 | -62.8 | -65.1 | 0 | 0 | 0 | 113.5 | E62 P113 | N60-E62 PolarHBondContact O-N 3.18Å; N60-P113 WeakPolarHBondContact OD1-CB 2.95Å | ||
| 61 | H | 95.8 | Very high | 97.1 | Very high | 80 Ų | 80 | 54.1 Ų | 54.1 | 37% | 0.37 | 27% | 0.273 | S | S | . | . | trans | -66.1 | 127.7 | -177.6 | -73.7 | -72.9 | 0 | 0 | 0 | 110.7 | L42 H43 L59 I65 R112 | L42-H61 HydrophobicContact CD1-CB 4.26Å; H43-H61 AromaticContact CD2-NE2 3.69Å; H43-H61 AromaticContact NE2-NE2 3.19Å; H43-H61 PolarHBondContact NE2-NE2 3.42Å; H43-H61 VanDerWaalsContact NE2-NE2 3.19Å; L59-H61 HydrophobicContact CD1-CB 4.05Å; H61-I65 HydrophobicContact CB-CD1 3.93Å; H61-I65 HydrophobicContact CB-CG1 4.37Å; H61-R112 PolarHBondContact O-NE 2.62Å; H61-R112 PolarHBondContact O-NH2 3.38Å | ||
| 62 | E | 94.6 | Very high | 97 | Very high | 126 Ų | 126 | 55.7 Ų | 55.7 | 59% | 0.589 | 28% | 0.275 | S | S | * | . | trans | -73 | 166 | 174.6 | -63.5 | -61.9 | 161.3 | 0 | 0 | 111.4 | N60 R112 | N60-E62 PolarHBondContact O-N 3.18Å; E62-R112 WeakPolarHBondContact OE1-CG 3.37Å | ||
| 63 | G | 95.3 | Very high | 96.9 | Very high | 16 Ų | 16 | 58.6 Ų | 58.6 | 17% | 0.165 | 28% | 0.276 | C | S | . | . | S | Bend | trans | 81.7 | -171.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | A108 R112 | G63-A108 WeakPolarHBondContact O-CA 3.35Å; G63-R112 PolarHBondContact O-NH2 2.94Å |
| 64 | K | 97.3 | Very high | 96.8 | Very high | 44 Ų | 44 | 55.1 Ų | 55.1 | 19% | 0.191 | 27% | 0.265 | C | S | . | . | trans | -79.9 | 121.9 | -177.6 | -171.7 | -179.6 | 177.1 | -160.3 | 0 | 109.7 | S105 I106 D136 | K64-S105 VanDerWaalsContact CE-OG 3.27Å; K64-S105 WeakPolarHBondContact CE-OG 3.28Å; K64-I106 WeakPolarHBondContact CA-O 3.49Å; K64-D136 HydrophobicContact CB-CB 4.2Å; K64-D136 HydrophobicContact CD-CB 3.97Å; K64-D136 WeakPolarHBondContact CD-OD2 3.36Å; K64-D136 WeakPolarHBondContact CE-OD2 3.47Å; K64-D136 HydrophobicContact CG-CB 4Å; K64-D136 IonicContact NZ-OD2 2.73Å; K64-D136 PolarHBondContact NZ-OD2 3.43Å; K64-D136 PolarHBondContact O-N 3.11Å | ||
| 65 | I | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 135.3 | -176.4 | -59.7 | -60.9 | 0 | 0 | 0 | 108.9 | L42 L59 H61 L67 I106 V133 Y134 Y135 | L42-I65 HydrophobicContact CD1-CD1 3.89Å; L59-I65 HydrophobicContact CD1-CG1 4.42Å; L59-I65 HydrophobicContact CD1-CG2 4.15Å; L59-I65 HydrophobicContact CD2-CB 3.92Å; L59-I65 HydrophobicContact CD2-CG1 4.02Å; L59-I65 HydrophobicContact CD2-CG2 3.75Å; H61-I65 HydrophobicContact CB-CD1 3.93Å; H61-I65 HydrophobicContact CB-CG1 4.37Å; I65-L67 HydrophobicContact CG2-CD2 4.15Å; I65-I106 HydrophobicContact CB-CB 4.37Å; I65-I106 PolarHBondContact N-O 2.82Å; I65-I106 PolarHBondContact O-N 2.91Å; I65-V133 HydrophobicContact CG2-CG1 3.64Å; I65-Y134 CarbonylContact C-O 3.57Å; I65-Y134 VanDerWaalsContact CA-O 3.31Å; I65-Y134 WeakPolarHBondContact CA-O 3.49Å; I65-Y134 WeakPolarHBondContact CG2-O 3.27Å; I65-Y135 HydrophobicContact CD1-CD2 3.94Å |
| 66 | V | 97.9 | Very high | 96.7 | Very high | 5 Ų | 5 | 51.8 Ų | 51.8 | 3% | 0.03 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 123.3 | 173.8 | -176.6 | 0 | 0 | 0 | 0 | 109.4 | W39 R68 V104 Y134 D136 | W39-V66 HydrophobicContact CE3-CB 4.39Å; W39-V66 HydrophobicContact CE3-CG1 4.42Å; W39-V66 HydrophobicContact CH2-CB 4.14Å; W39-V66 HydrophobicContact CH2-CG1 3.63Å; W39-V66 HydrophobicContact CH2-CG2 3.99Å; W39-V66 HydrophobicContact CZ2-CB 4.4Å; W39-V66 HydrophobicContact CZ2-CG1 4.3Å; W39-V66 HydrophobicContact CZ2-CG2 3.79Å; W39-V66 HydrophobicContact CZ3-CB 4.11Å; W39-V66 HydrophobicContact CZ3-CG1 3.68Å; W39-V66 HydrophobicContact CZ3-CG2 4.39Å; V66-R68 HydrophobicContact CG1-CG 4.32Å; V66-V104 WeakPolarHBondContact CA-O 3.38Å; V66-Y134 PolarHBondContact N-O 3.45Å; V66-Y134 PolarHBondContact O-N 2.83Å; V66-D136 HydrophobicContact CG2-CB 4.19Å |
| 67 | L | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 124.7 | 169.7 | -54.1 | -177.5 | 0 | 0 | 0 | 107.7 | I65 L78 V80 A103 V104 I106 I116 M131 V133 | I65-L67 HydrophobicContact CG2-CD2 4.15Å; L67-L78 HydrophobicContact CB-CD2 3.83Å; L67-L78 HydrophobicContact CD1-CD1 4.34Å; L67-L78 HydrophobicContact CD1-CD2 3.97Å; L67-V80 HydrophobicContact CD1-CG2 3.95Å; L67-A103 CarbonylContact O-C 3.51Å; L67-A103 VanDerWaalsContact O-CA 3.25Å; L67-A103 WeakPolarHBondContact O-CA 3.35Å; L67-V104 PolarHBondContact N-O 2.92Å; L67-V104 PolarHBondContact O-N 2.83Å; L67-I106 HydrophobicContact CD1-CD1 3.7Å; L67-I106 HydrophobicContact CD2-CD1 4.42Å; L67-I106 HydrophobicContact CG-CD1 3.89Å; L67-I116 HydrophobicContact CD1-CD1 3.65Å; L67-I116 HydrophobicContact CD1-CG1 3.95Å; L67-I116 HydrophobicContact CD1-CG2 4.19Å; L67-I116 HydrophobicContact CD2-CD1 4.17Å; L67-M131 HydrophobicContact CB-SD 4.1Å; L67-M131 HydrophobicContact CD1-SD 4.17Å; L67-M131 HydrophobicContact CD2-SD 4.23Å; L67-M131 HydrophobicContact CG-SD 4.4Å; L67-V133 HydrophobicContact CD2-CB 4.32Å; L67-V133 HydrophobicContact CD2-CG1 3.93Å; L67-V133 HydrophobicContact CD2-CG2 3.88Å |
| 68 | R | 96.8 | Very high | 96.6 | Very high | 48 Ų | 48 | 45.7 Ų | 45.7 | 18% | 0.181 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 117.7 | 167 | -77 | -166.6 | 168.5 | -176.9 | 1.1 | 108.9 | E33 V66 D102 A103 M131 K132 Y134 | E33-R68 PolarHBondContact O-NH1 3.33Å; E33-R68 VanDerWaalsContact O-NH1 3.08Å; V66-R68 HydrophobicContact CG1-CG 4.32Å; R68-D102 CarbonylContact C-O 3.53Å; R68-D102 WeakPolarHBondContact CA-O 3.16Å; R68-A103 HydrophobicContact CG-CB 4.2Å; R68-M131 CarbonylContact O-C 3.57Å; R68-M131 WeakPolarHBondContact O-CA 3.16Å; R68-K132 PolarHBondContact N-O 3.38Å; R68-K132 PolarHBondContact O-N 3.02Å; R68-Y134 HydrophobicContact CB-CE2 4.16Å; R68-Y134 HydrophobicContact CG-CE2 4.36Å |
| 69 | M | 96 | Very high | 96.6 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.015 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 139.1 | -178.9 | -173.2 | 179.4 | 71.4 | 0 | 0 | 110.4 | A76 L78 D102 V118 F129 E130 M131 | M69-A76 HydrophobicContact CE-CB 4.12Å; M69-A76 WeakPolarHBondContact CE-O 3.38Å; M69-A76 HydrophobicContact SD-CB 4.45Å; M69-L78 HydrophobicContact CE-CB 3.92Å; M69-D102 HydrophobicContact CB-CB 4.28Å; M69-D102 HydrophobicContact CE-CB 4.07Å; M69-D102 PolarHBondContact N-O 3.45Å; M69-D102 PolarHBondContact O-N 2.64Å; M69-V118 HydrophobicContact CE-CG1 4.42Å; M69-V118 HydrophobicContact SD-CG1 3.71Å; M69-V118 HydrophobicContact SD-CG2 4.31Å; M69-F129 HydrophobicContact CG-CB 4.14Å; M69-F129 HydrophobicContact CG-CD2 3.99Å; M69-F129 HydrophobicContact CG-CG 4.42Å; M69-F129 HydrophobicContact SD-CB 4.23Å; M69-F129 HydrophobicContact SD-CD2 3.85Å; M69-F129 HydrophobicContact SD-CG 4.14Å; M69-E130 CarbonylContact C-O 3.55Å; M69-E130 WeakPolarHBondContact CA-O 3.44Å; M69-M131 HydrophobicContact CB-CB 4.19Å; M69-M131 HydrophobicContact CB-CG 4.18Å; M69-M131 HydrophobicContact CG-CB 4.15Å |
| 70 | R | 95.1 | Very high | 96.7 | Very high | 98 Ų | 98 | 38 Ų | 38 | 37% | 0.37 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 127.2 | 170.7 | -179 | 178 | 77.7 | -178.6 | 1.9 | 109.2 | L72 F129 E130 | R70-L72 PolarHBondContact O-N 3.21Å; R70-F129 VanDerWaalsContact O-CA 3.31Å; R70-F129 WeakPolarHBondContact O-CA 3.45Å; R70-E130 PolarHBondContact N-O 3.47Å; R70-E130 PolarHBondContact O-N 3.29Å |
| 71 | S | 95.9 | Very high | 96.7 | Very high | 29 Ų | 29 | 33 Ų | 33 | 20% | 0.203 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 115.4 | 165 | -62.1 | 0 | 0 | 0 | 0 | 109.4 | A76 E128 | S71-A76 PolarHBondContact OG-N 3.45Å; S71-E128 CarbonylContact C-O 3.51Å |
| 72 | L | 95.2 | Very high | 96.8 | Very high | 80 Ų | 80 | 30.1 Ų | 30.1 | 42% | 0.419 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | -30.6 | 173.2 | -56.8 | 178.4 | 0 | 0 | 0 | 111 | R70 E128 E130 | R70-L72 PolarHBondContact O-N 3.21Å; L72-E128 HydrophobicContact CB-CB 4.24Å; L72-E128 PolarHBondContact N-O 3.12Å; L72-E130 HydrophobicContact CD1-CB 4.31Å; L72-E130 HydrophobicContact CD2-CB 4.38Å; L72-E130 HydrophobicContact CG-CB 4.44Å |
| 73 | K | 95.8 | Very high | 96.9 | Very high | 99 Ų | 99 | 28.7 Ų | 28.7 | 43% | 0.43 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 148.1 | 177.4 | -179 | -169.5 | 175.5 | -167.3 | 0 | 108.7 | E126 S127 E128 | K73-E126 IonicContact NZ-OE2 2.73Å; K73-E126 PolarHBondContact NZ-OE2 3.26Å; K73-S127 CarbonylContact O-C 3.56Å; K73-S127 WeakPolarHBondContact O-CA 3.19Å; K73-E128 HydrophobicContact CB-CB 4.01Å; K73-E128 HydrophobicContact CB-CG 4.26Å; K73-E128 HydrophobicContact CD-CG 4.21Å; K73-E128 WeakPolarHBondContact CD-OE1 3.33Å; K73-E128 PolarHBondContact N-O 2.87Å; K73-E128 IonicContact NZ-OE1 3.12Å; K73-E128 PolarHBondContact NZ-OE1 3.05Å; K73-E128 VanDerWaalsContact NZ-OE1 3.12Å; K73-E128 PolarHBondContact O-N 3.42Å |
| 74 | G | 95.4 | Very high | 97.1 | Very high | 29 Ų | 29 | 29.5 Ų | 29.5 | 30% | 0.299 | 16% | 0.161 | S | C | . | . | S | Bend | trans | 68.3 | -148.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | H124 | G74-H124 VanDerWaalsContact CA-CG 3.47Š|
| 75 | D | 96.1 | Very high | 97.1 | Very high | 13 Ų | 13 | 29.6 Ų | 29.6 | 7% | 0.07 | 16% | 0.163 | C | C | . | . | trans | -141 | 115.1 | 178.5 | -161.5 | 13.8 | 0 | 0 | 0 | 108.3 | H121 H124 S127 | D75-H121 HydrophobicContact CB-CB 3.93Å; D75-H121 WeakPolarHBondContact O-CB 3.48Å; D75-H121 PolarHBondContact O-N 3.19Å; D75-H124 WeakPolarHBondContact CB-CD2 3.22Å; D75-H124 PolarHBondContact N-CD2 3.37Å; D75-S127 VanDerWaalsContact C-OG 3.26Å; D75-S127 PolarHBondContact N-OG 3.22Å; D75-S127 WeakPolarHBondContact O-CB 3.47Å; D75-S127 PolarHBondContact O-OG 3.32Å | ||
| 76 | A | 97 | Very high | 97.1 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 129 | 178.8 | 0 | 0 | 0 | 0 | 0 | 108 | M69 S71 V118 Y119 F129 | M69-A76 HydrophobicContact CE-CB 4.12Å; M69-A76 WeakPolarHBondContact CE-O 3.38Å; M69-A76 HydrophobicContact SD-CB 4.45Å; S71-A76 PolarHBondContact OG-N 3.45Å; A76-V118 HydrophobicContact CB-CG1 4.05Å; A76-Y119 CarbonylContact C-O 3.54Å; A76-Y119 VanDerWaalsContact CA-O 3.26Å; A76-Y119 WeakPolarHBondContact CA-O 3.46Å; A76-F129 HydrophobicContact CB-CB 4.09Å |
| 77 | D | 97.1 | Very high | 97.1 | Very high | 7 Ų | 7 | 34.6 Ų | 34.6 | 4% | 0.037 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 147.8 | -178.4 | -58.8 | -52.9 | 0 | 0 | 0 | 110.7 | Y79 A97 V118 Y119 H121 | D77-Y79 HydrophobicContact CB-CE2 3.62Å; D77-A97 HydrophobicContact CB-CB 3.84Å; D77-A97 WeakPolarHBondContact OD1-CA 3.39Å; D77-A97 WeakPolarHBondContact OD1-CB 3.25Å; D77-V118 CarbonylContact O-C 3.51Å; D77-V118 WeakPolarHBondContact O-CA 3.41Å; D77-Y119 PolarHBondContact N-O 2.81Å; D77-Y119 PolarHBondContact O-N 2.9Å; D77-H121 IonicContact OD2-CD2 3.77Å |
| 78 | L | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 128.4 | -176.2 | -173.1 | 65.7 | 0 | 0 | 0 | 112.2 | L67 M69 V80 Q95 S96 V104 I116 V118 M131 | L67-L78 HydrophobicContact CB-CD2 3.83Å; L67-L78 HydrophobicContact CD1-CD1 4.34Å; L67-L78 HydrophobicContact CD1-CD2 3.97Å; M69-L78 HydrophobicContact CE-CB 3.92Å; L78-V80 HydrophobicContact CG-CG2 4.36Å; L78-Q95 CarbonylContact O-C 3.54Å; L78-Q95 WeakPolarHBondContact O-CA 3.35Å; L78-Q95 WeakPolarHBondContact O-CB 3.47Å; L78-S96 PolarHBondContact N-O 2.99Å; L78-S96 PolarHBondContact O-N 3.49Å; L78-V104 HydrophobicContact CD2-CB 4.05Å; L78-V104 HydrophobicContact CD2-CG2 3.78Å; L78-V104 HydrophobicContact CG-CG2 4.34Å; L78-I116 HydrophobicContact CD1-CG2 3.53Å; L78-V118 HydrophobicContact CD1-CG2 4.12Å; L78-M131 HydrophobicContact CD1-SD 4Å |
| 79 | Y | 98.4 | Very high | 97 | Very high | 15 Ų | 15 | 38.3 Ų | 38.3 | 6% | 0.059 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 140.9 | 176.5 | -58.5 | -87.7 | 0 | 0 | 0 | 110.6 | Y54 D77 S88 F89 Y92 Q95 I116 G117 Y119 | Y54-Y79 HydrophobicContact CE1-CD2 4.4Å; D77-Y79 HydrophobicContact CB-CE2 3.62Å; Y79-S88 WeakPolarHBondContact CD1-O 3.34Å; Y79-F89 VanDerWaalsContact CE1-CA 3.49Å; Y79-F89 HydrophobicContact CE1-CB 3.96Å; Y79-F89 HydrophobicContact CE2-CB 4.29Å; Y79-Y92 AromaticContact CD1-CD1 3.68Å; Y79-Y92 HydrophobicContact CD1-CD1 3.68Å; Y79-Y92 HydrophobicContact CD1-CE1 4.24Å; Y79-Y92 AromaticContact CD1-CG 3.93Å; Y79-Y92 HydrophobicContact CD1-CG 3.93Å; Y79-Y92 HydrophobicContact CE1-CD1 4.1Å; Y79-Y92 HydrophobicContact CE1-CE1 4.23Å; Y79-Q95 HydrophobicContact CD1-CB 3.85Å; Y79-Q95 HydrophobicContact CE1-CB 4.13Å; Y79-Q95 VanDerWaalsContact CE1-OE1 3.24Å; Y79-I116 CarbonylContact O-C 3.52Å; Y79-I116 WeakPolarHBondContact O-CA 3.48Å; Y79-G117 PolarHBondContact N-O 3.29Å; Y79-G117 PolarHBondContact O-N 3.29Å; Y79-Y119 HydrophobicContact CE2-CD1 4.48Å; Y79-Y119 HydrophobicContact CE2-CG 4.41Å |
| 80 | V | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 140.5 | -173.3 | -177.4 | 0 | 0 | 0 | 0 | 110.8 | L67 L78 E93 L94 V104 I106 V114 G115 I116 | L67-V80 HydrophobicContact CD1-CG2 3.95Å; L78-V80 HydrophobicContact CG-CG2 4.36Å; V80-E93 PolarHBondContact O-N 3.12Å; V80-L94 HydrophobicContact CB-CB 4.19Å; V80-L94 PolarHBondContact N-O 3.32Å; V80-L94 PolarHBondContact O-N 3.17Å; V80-V104 HydrophobicContact CG2-CG1 4.04Å; V80-I106 HydrophobicContact CG1-CD1 3.78Å; V80-I106 HydrophobicContact CG1-CG1 4.03Å; V80-I106 HydrophobicContact CG2-CD1 4.48Å; V80-V114 HydrophobicContact CG1-CG1 3.28Å; V80-G115 WeakPolarHBondContact CA-O 3.39Å; V80-I116 HydrophobicContact CG2-CG1 4.38Å |
| 81 | S | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 137.6 | 176.1 | 174.9 | 0 | 0 | 0 | 0 | 112 | S83 S84 E93 V114 G115 | S81-S83 PolarHBondContact OG-N 2.94Å; S81-S83 VanDerWaalsContact OG-N 3.12Å; S81-S83 PolarHBondContact OG-OG 3.37Å; S81-S84 PolarHBondContact OG-N 3.21Å; S81-E93 PolarHBondContact OG-OE1 3.14Å; S81-V114 WeakPolarHBondContact O-CG1 3.37Å; S81-G115 PolarHBondContact N-O 3.47Å; S81-G115 PolarHBondContact O-N 2.96Å |
| 82 | A | 97.9 | Very high | 97.3 | Very high | 21 Ų | 21 | 47 Ų | 47 | 17% | 0.174 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -83.8 | -20.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | E93 F110 V114 | A82-E93 WeakPolarHBondContact CB-OE2 3.41Å; A82-E93 PolarHBondContact N-OE2 3.06Å; A82-F110 HydrophobicContact CB-CB 3.96Å; A82-F110 HydrophobicContact CB-CD1 4.45Å; A82-F110 HydrophobicContact CB-CD2 3.69Å; A82-F110 HydrophobicContact CB-CE2 4.29Å; A82-F110 HydrophobicContact CB-CG 3.78Å; A82-V114 HydrophobicContact CB-CG2 4.29Å |
| 83 | S | 97.4 | Very high | 97.5 | Very high | 95 Ų | 95 | 46.7 Ų | 46.7 | 66% | 0.664 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -89.9 | -22.7 | -178.2 | 50.3 | 0 | 0 | 0 | 0 | 113.8 | S81 E93 | S81-S83 PolarHBondContact OG-N 2.94Å; S81-S83 VanDerWaalsContact OG-N 3.12Å; S81-S83 PolarHBondContact OG-OG 3.37Å; S83-E93 VanDerWaalsContact CB-OE1 3.3Å; S83-E93 WeakPolarHBondContact CB-OE1 3.43Å; S83-E93 PolarHBondContact N-OE1 2.95Å; S83-E93 VanDerWaalsContact N-OE1 3.16Å; S83-E93 PolarHBondContact OG-OE1 3.42Å |
| 84 | S | 97.7 | Very high | 97.6 | Very high | 33 Ų | 33 | 44.4 Ų | 44.4 | 23% | 0.231 | 24% | 0.241 | C | C | . | . | trans | -132.2 | 140.8 | 180 | -178.5 | 0 | 0 | 0 | 0 | 112.3 | S81 H86 G115 | S81-S84 PolarHBondContact OG-N 3.21Å; S84-H86 VanDerWaalsContact C-N 3.28Å; S84-H86 PolarHBondContact OG-N 2.9Å; S84-H86 VanDerWaalsContact OG-N 3.11Å; S84-G115 WeakPolarHBondContact O-CA 3.3Å | ||
| 85 | L | 98.4 | Very high | 97.7 | Very high | 47 Ų | 47 | 47 Ų | 47 | 25% | 0.246 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -83.8 | -3.2 | 171.3 | -70.4 | -178.7 | 0 | 0 | 0 | 113.6 | R58 P87 P113 | R58-L85 HydrophobicContact CG-CD2 4.17Å; L85-P87 VanDerWaalsContact C-CD 3.49Å; L85-P113 HydrophobicContact CD2-CB 4.1Å; L85-P113 HydrophobicContact CD2-CG 3.95Å |
| 86 | H | 98.3 | Very high | 97.7 | Very high | 109 Ų | 109 | 47.3 Ų | 47.3 | 51% | 0.505 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -131.9 | 63.2 | 179 | -52.5 | 94.2 | 0 | 0 | 0 | 110 | Y56 S84 | Y56-H86 HydrophobicContact CD1-CB 4.26Å; Y56-H86 AromaticContact CD2-CD2 3.77Å; Y56-H86 HydrophobicContact CE1-CB 3.86Å; Y56-H86 AromaticContact CE2-CD2 3.98Å; Y56-H86 AromaticContact CG-CD2 3.88Å; S84-H86 VanDerWaalsContact C-N 3.28Å; S84-H86 PolarHBondContact OG-N 2.9Å; S84-H86 VanDerWaalsContact OG-N 3.11Å |
| 87 | P | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -64.1 | 147.8 | 175.2 | 30 | -35.9 | 0 | 0 | 0 | 110.6 | Y56 L85 D91 | Y56-P87 WeakPolarHBondContact CE1-O 3.33Å; L85-P87 VanDerWaalsContact C-CD 3.49Å; P87-D91 CarbonylContact C-O 3.58Å; P87-D91 VanDerWaalsContact CA-O 3.28Å; P87-D91 WeakPolarHBondContact CA-O 3.2Å | ||
| 88 | S | 97.3 | Very high | 97.3 | Very high | 29 Ų | 29 | 52.1 Ų | 52.1 | 20% | 0.203 | 28% | 0.283 | C | S | . | . | trans | -131.5 | 180 | -178.4 | 71 | 0 | 0 | 0 | 0 | 110.8 | Y54 Y79 D90 D91 Y92 | Y54-S88 WeakPolarHBondContact OH-CA 3.34Å; Y79-S88 WeakPolarHBondContact CD1-O 3.34Å; S88-D90 PolarHBondContact O-N 3.07Å; S88-D90 PolarHBondContact OG-N 3.39Å; S88-D91 PolarHBondContact N-O 3.48Å; S88-D91 CarbonylContact O-C 3.54Å; S88-D91 PolarHBondContact O-N 3.2Å; S88-D91 PolarHBondContact OG-N 3.1Å; S88-Y92 WeakPolarHBondContact O-CD1 3.42Å | ||
| 89 | F | 95.6 | Very high | 96.3 | Very high | 98 Ų | 98 | 58 Ų | 58 | 43% | 0.43 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -66.8 | -18.1 | 176.7 | 71.4 | -103 | 0 | 0 | 0 | 113.1 | Y54 Y79 Y92 | Y54-F89 WeakPolarHBondContact OH-CD1 3.48Å; Y54-F89 PolarHBondContact OH-N 3.08Å; Y79-F89 VanDerWaalsContact CE1-CA 3.49Å; Y79-F89 HydrophobicContact CE1-CB 3.96Å; Y79-F89 HydrophobicContact CE2-CB 4.29Å; F89-Y92 WeakPolarHBondContact O-CE1 3.44Å |
| 90 | D | 96.4 | Very high | 95.4 | Very high | 132 Ų | 132 | 58.6 Ų | 58.6 | 71% | 0.706 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -99.9 | -18.6 | 177.1 | -73.2 | -38.7 | 0 | 0 | 0 | 113.1 | S88 | S88-D90 PolarHBondContact O-N 3.07Å; S88-D90 PolarHBondContact OG-N 3.39Å |
| 91 | D | 97.8 | Very high | 94.8 | Very high | 88 Ų | 88 | 62.7 Ų | 62.7 | 47% | 0.471 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -139.6 | 98.1 | -173 | -176.1 | 23.7 | 0 | 0 | 0 | 111.1 | P87 S88 | P87-D91 CarbonylContact C-O 3.58Å; P87-D91 VanDerWaalsContact CA-O 3.28Å; P87-D91 WeakPolarHBondContact CA-O 3.2Å; S88-D91 PolarHBondContact N-O 3.48Å; S88-D91 CarbonylContact O-C 3.54Å; S88-D91 PolarHBondContact O-N 3.2Å; S88-D91 PolarHBondContact OG-N 3.1Å |
| 92 | Y | 98.3 | Very high | 94.5 | Very high | 91 Ų | 91 | 62.7 Ų | 62.7 | 36% | 0.357 | 36% | 0.36 | S | S | . | . | trans | -154.1 | 162 | -178.4 | 61.8 | -92.1 | 0 | 0 | 0 | 111.2 | Y79 S88 F89 Q95 | Y79-Y92 AromaticContact CD1-CD1 3.68Å; Y79-Y92 HydrophobicContact CD1-CD1 3.68Å; Y79-Y92 HydrophobicContact CD1-CE1 4.24Å; Y79-Y92 AromaticContact CD1-CG 3.93Å; Y79-Y92 HydrophobicContact CD1-CG 3.93Å; Y79-Y92 HydrophobicContact CE1-CD1 4.1Å; Y79-Y92 HydrophobicContact CE1-CE1 4.23Å; S88-Y92 WeakPolarHBondContact O-CD1 3.42Å; F89-Y92 WeakPolarHBondContact O-CE1 3.44Å; Y92-Q95 HydrophobicContact CD2-CB 3.85Å; Y92-Q95 HydrophobicContact CD2-CG 4.04Å; Y92-Q95 HydrophobicContact CE2-CB 3.86Å; Y92-Q95 HydrophobicContact CE2-CG 3.51Å; Y92-Q95 HydrophobicContact CG-CB 4.37Å; Y92-Q95 VanDerWaalsContact OH-CD 3.27Å; Y92-Q95 PolarHBondContact OH-NE2 3.01Å; Y92-Q95 PolarHBondContact OH-OE1 3.37Å; Y92-Q95 VanDerWaalsContact OH-OE1 3.14Å | ||
| 93 | E | 98.4 | Very high | 94.4 | Very high | 75 Ų | 75 | 64.3 Ų | 64.3 | 35% | 0.35 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -105.5 | -33.6 | 172.4 | -67.5 | 170.9 | -167.1 | 0 | 0 | 111.7 | V80 S81 A82 S83 F110 | V80-E93 PolarHBondContact O-N 3.12Å; S81-E93 PolarHBondContact OG-OE1 3.14Å; A82-E93 WeakPolarHBondContact CB-OE2 3.41Å; A82-E93 PolarHBondContact N-OE2 3.06Å; S83-E93 VanDerWaalsContact CB-OE1 3.3Å; S83-E93 WeakPolarHBondContact CB-OE1 3.43Å; S83-E93 PolarHBondContact N-OE1 2.95Å; S83-E93 VanDerWaalsContact N-OE1 3.16Å; S83-E93 PolarHBondContact OG-OE1 3.42Å; E93-F110 HydrophobicContact CB-CE2 4.21Å; E93-F110 HydrophobicContact CB-CZ 3.99Å; E93-F110 WeakPolarHBondContact OE2-CE2 3.3Å; E93-F110 WeakPolarHBondContact OE2-CZ 3.21Å |
| 94 | L | 98.2 | Very high | 94.4 | Very high | 50 Ų | 50 | 60.2 Ų | 60.2 | 26% | 0.262 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 149.3 | 173.8 | -51.5 | 167.6 | 0 | 0 | 0 | 109.6 | V80 V104 S105 I106 F110 | V80-L94 HydrophobicContact CB-CB 4.19Å; V80-L94 PolarHBondContact N-O 3.32Å; V80-L94 PolarHBondContact O-N 3.17Å; L94-V104 HydrophobicContact CB-CG1 3.63Å; L94-V104 HydrophobicContact CD1-CG1 3.83Å; L94-V104 HydrophobicContact CG-CG1 4.36Å; L94-S105 WeakPolarHBondContact CD1-O 3.46Å; L94-I106 HydrophobicContact CD1-CG1 4.37Å; L94-F110 HydrophobicContact CD1-CE2 3.64Å; L94-F110 HydrophobicContact CD1-CZ 3.77Å; L94-F110 HydrophobicContact CD2-CZ 4.43Å; L94-F110 HydrophobicContact CG-CE2 4.02Å; L94-F110 HydrophobicContact CG-CZ 3.89Å |
| 95 | Q | 97.8 | Very high | 94.4 | Very high | 85 Ų | 85 | 61.4 Ų | 61.4 | 40% | 0.397 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 160.4 | 176.8 | 68.1 | 165.6 | 17.4 | 0 | 0 | 112.4 | L78 Y79 Y92 | L78-Q95 CarbonylContact O-C 3.54Å; L78-Q95 WeakPolarHBondContact O-CA 3.35Å; L78-Q95 WeakPolarHBondContact O-CB 3.47Å; Y79-Q95 HydrophobicContact CD1-CB 3.85Å; Y79-Q95 HydrophobicContact CE1-CB 4.13Å; Y79-Q95 VanDerWaalsContact CE1-OE1 3.24Å; Y92-Q95 HydrophobicContact CD2-CB 3.85Å; Y92-Q95 HydrophobicContact CD2-CG 4.04Å; Y92-Q95 HydrophobicContact CE2-CB 3.86Å; Y92-Q95 HydrophobicContact CE2-CG 3.51Å; Y92-Q95 HydrophobicContact CG-CB 4.37Å; Y92-Q95 VanDerWaalsContact OH-CD 3.27Å; Y92-Q95 PolarHBondContact OH-NE2 3.01Å; Y92-Q95 PolarHBondContact OH-OE1 3.37Å; Y92-Q95 VanDerWaalsContact OH-OE1 3.14Å |
| 96 | S | 97.3 | Very high | 94.4 | Very high | 18 Ų | 18 | 59.2 Ų | 59.2 | 13% | 0.126 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 120.2 | 158.8 | -171.5 | 0 | 0 | 0 | 0 | 107.3 | L78 D102 A103 | L78-S96 PolarHBondContact N-O 2.99Å; L78-S96 PolarHBondContact O-N 3.49Å; S96-D102 VanDerWaalsContact C-OD1 3.3Å; S96-D102 WeakPolarHBondContact CB-OD1 3.39Å; S96-D102 WeakPolarHBondContact OG-CA 3.46Å; S96-D102 WeakPolarHBondContact OG-CB 3.31Å; S96-D102 PolarHBondContact OG-OD1 3.14Å; S96-A103 PolarHBondContact OG-N 3.44Å |
| 97 | A | 94.2 | Very high | 94.3 | Very high | 45 Ų | 45 | 55.2 Ų | 55.2 | 37% | 0.372 | 33% | 0.325 | S | S | . | . | trans | -135.1 | 68.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | D77 D102 | D77-A97 HydrophobicContact CB-CB 3.84Å; D77-A97 WeakPolarHBondContact OD1-CA 3.39Å; D77-A97 WeakPolarHBondContact OD1-CB 3.25Å; A97-D102 PolarHBondContact N-OD1 3.38Å | ||
| 98 | T | 90.1 | Very high | 94.2 | Very high | 64 Ų | 64 | 57.3 Ų | 57.3 | 39% | 0.393 | 34% | 0.343 | S | S | . | . | trans | -117.8 | 148.8 | -175.8 | 71.2 | 0 | 0 | 0 | 0 | 109.6 | G100 D102 | T98-G100 PolarHBondContact O-N 3.1Å; T98-D102 WeakPolarHBondContact CB-OD1 3.32Å; T98-D102 PolarHBondContact N-OD1 3.03Å; T98-D102 PolarHBondContact OG1-OD1 3.19Å | ||
| 99 | C | 77 | Confident | 94.1 | Very high | 123 Ų | 123 | 63.1 Ų | 63.1 | 83% | 0.831 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -73.6 | 25.1 | 175.6 | -51.8 | 0 | 0 | 0 | 0 | 113.4 | ||
| 100 | G | 80.7 | Confident | 94.2 | Very high | 28 Ų | 28 | 59.6 Ų | 59.6 | 29% | 0.289 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -140.7 | -158.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | T98 D102 | T98-G100 PolarHBondContact O-N 3.1Å; G100-D102 PolarHBondContact O-N 3.16Å |
| 101 | P | 85.5 | Confident | 94.2 | Very high | 85 Ų | 85 | 63.2 Ų | 63.2 | 55% | 0.552 | 35% | 0.354 | S | S | * | . | trans | -63.4 | 124.4 | 171.6 | -18.5 | 31.7 | 0 | 0 | 0 | 110.4 | ||||
| 102 | D | 92.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 133.1 | 176.6 | -80.7 | -39.5 | 0 | 0 | 0 | 110.4 | R68 M69 S96 A97 T98 G100 | R68-D102 CarbonylContact C-O 3.53Å; R68-D102 WeakPolarHBondContact CA-O 3.16Å; M69-D102 HydrophobicContact CB-CB 4.28Å; M69-D102 HydrophobicContact CE-CB 4.07Å; M69-D102 PolarHBondContact N-O 3.45Å; M69-D102 PolarHBondContact O-N 2.64Å; S96-D102 VanDerWaalsContact C-OD1 3.3Å; S96-D102 WeakPolarHBondContact CB-OD1 3.39Å; S96-D102 WeakPolarHBondContact OG-CA 3.46Å; S96-D102 WeakPolarHBondContact OG-CB 3.31Å; S96-D102 PolarHBondContact OG-OD1 3.14Å; A97-D102 PolarHBondContact N-OD1 3.38Å; T98-D102 WeakPolarHBondContact CB-OD1 3.32Å; T98-D102 PolarHBondContact N-OD1 3.03Å; T98-D102 PolarHBondContact OG1-OD1 3.19Å; G100-D102 PolarHBondContact O-N 3.16Å |
| 103 | A | 95.3 | Very high | 94.2 | Very high | 55 Ų | 55 | 58.5 Ų | 58.5 | 46% | 0.455 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 130.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L67 R68 S96 | L67-A103 CarbonylContact O-C 3.51Å; L67-A103 VanDerWaalsContact O-CA 3.25Å; L67-A103 WeakPolarHBondContact O-CA 3.35Å; R68-A103 HydrophobicContact CG-CB 4.2Å; S96-A103 PolarHBondContact OG-N 3.44Å |
| 104 | V | 97.3 | Very high | 94.2 | Very high | 8 Ų | 8 | 55 Ų | 55 | 5% | 0.048 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 127 | 176.6 | 174.3 | 0 | 0 | 0 | 0 | 109.5 | V66 L67 L78 V80 L94 I106 | V66-V104 WeakPolarHBondContact CA-O 3.38Å; L67-V104 PolarHBondContact N-O 2.92Å; L67-V104 PolarHBondContact O-N 2.83Å; L78-V104 HydrophobicContact CD2-CB 4.05Å; L78-V104 HydrophobicContact CD2-CG2 3.78Å; L78-V104 HydrophobicContact CG-CG2 4.34Å; V80-V104 HydrophobicContact CG2-CG1 4.04Å; L94-V104 HydrophobicContact CB-CG1 3.63Å; L94-V104 HydrophobicContact CD1-CG1 3.83Å; L94-V104 HydrophobicContact CG-CG1 4.36Å; V104-I106 HydrophobicContact CG1-CG1 4.23Å |
| 105 | S | 97.4 | Very high | 94.2 | Very high | 59 Ų | 59 | 52.6 Ų | 52.6 | 41% | 0.413 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 112 | 172.2 | -168.4 | 0 | 0 | 0 | 0 | 110 | K64 L94 | K64-S105 VanDerWaalsContact CE-OG 3.27Å; K64-S105 WeakPolarHBondContact CE-OG 3.28Å; L94-S105 WeakPolarHBondContact CD1-O 3.46Å |
| 106 | I | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 116.7 | 179.1 | -55.8 | 175 | 0 | 0 | 0 | 107.9 | L59 K64 I65 L67 V80 L94 V104 F110 V114 | L59-I106 HydrophobicContact CD2-CD1 3.48Å; L59-I106 VanDerWaalsContact CD2-CD1 3.48Å; K64-I106 WeakPolarHBondContact CA-O 3.49Å; I65-I106 HydrophobicContact CB-CB 4.37Å; I65-I106 PolarHBondContact N-O 2.82Å; I65-I106 PolarHBondContact O-N 2.91Å; L67-I106 HydrophobicContact CD1-CD1 3.7Å; L67-I106 HydrophobicContact CD2-CD1 4.42Å; L67-I106 HydrophobicContact CG-CD1 3.89Å; V80-I106 HydrophobicContact CG1-CD1 3.78Å; V80-I106 HydrophobicContact CG1-CG1 4.03Å; V80-I106 HydrophobicContact CG2-CD1 4.48Å; L94-I106 HydrophobicContact CD1-CG1 4.37Å; V104-I106 HydrophobicContact CG1-CG1 4.23Å; I106-F110 HydrophobicContact CG2-CB 4.12Å; I106-F110 HydrophobicContact CG2-CD2 3.71Å; I106-F110 HydrophobicContact CG2-CE2 4.46Å; I106-F110 HydrophobicContact CG2-CG 4.15Å; I106-V114 HydrophobicContact CD1-CG1 4.22Å; I106-V114 HydrophobicContact CG2-CG1 4.4Å; I106-V114 HydrophobicContact CG2-CG2 4.23Å |
| 107 | P | 97.1 | Very high | 94.3 | Very high | 25 Ų | 25 | 48 Ų | 48 | 16% | 0.162 | 28% | 0.284 | C | S | . | . | trans | -71.9 | 159.3 | -175.8 | 32.2 | -37.1 | 0 | 0 | 0 | 111.6 | H109 F110 R112 | P107-H109 WeakPolarHBondContact CB-CE1 3.36Å; P107-H109 WeakPolarHBondContact CG-CE1 3.44Å; P107-H109 PolarHBondContact O-N 3.45Å; P107-F110 HydrophobicContact CG-CD1 3.33Å; P107-F110 HydrophobicContact CG-CE1 3.49Å; P107-F110 VanDerWaalsContact CG-CE1 3.49Å; P107-F110 HydrophobicContact CG-CG 3.94Å; P107-F110 HydrophobicContact CG-CZ 4.24Å; P107-F110 PolarHBondContact O-N 2.75Å; P107-R112 PolarHBondContact O-NH1 2.75Å | ||
| 108 | A | 95.9 | Very high | 94.5 | Very high | 45 Ų | 45 | 45.8 Ų | 45.8 | 37% | 0.372 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -27 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | G63 F110 | G63-A108 WeakPolarHBondContact O-CA 3.35Å; A108-F110 VanDerWaalsContact C-N 3.3Å; A108-F110 PolarHBondContact O-N 2.73Å |
| 109 | H | 95 | Very high | 94.8 | Very high | 150 Ų | 150 | 44 Ų | 44 | 69% | 0.694 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -7.1 | -177.9 | 65.3 | -98.4 | 0 | 0 | 0 | 114.1 | P107 R111 | P107-H109 WeakPolarHBondContact CB-CE1 3.36Å; P107-H109 WeakPolarHBondContact CG-CE1 3.44Å; P107-H109 PolarHBondContact O-N 3.45Å; H109-R111 PolarHBondContact O-N 2.84Å |
| 110 | F | 97.2 | Very high | 95.8 | Very high | 25 Ų | 25 | 38.1 Ų | 38.1 | 11% | 0.11 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -65.9 | 122.4 | 175.6 | -94.9 | 31.4 | 0 | 0 | 0 | 110 | A82 E93 L94 I106 P107 A108 R112 V114 | A82-F110 HydrophobicContact CB-CB 3.96Å; A82-F110 HydrophobicContact CB-CD1 4.45Å; A82-F110 HydrophobicContact CB-CD2 3.69Å; A82-F110 HydrophobicContact CB-CE2 4.29Å; A82-F110 HydrophobicContact CB-CG 3.78Å; E93-F110 HydrophobicContact CB-CE2 4.21Å; E93-F110 HydrophobicContact CB-CZ 3.99Å; E93-F110 WeakPolarHBondContact OE2-CE2 3.3Å; E93-F110 WeakPolarHBondContact OE2-CZ 3.21Å; L94-F110 HydrophobicContact CD1-CE2 3.64Å; L94-F110 HydrophobicContact CD1-CZ 3.77Å; L94-F110 HydrophobicContact CD2-CZ 4.43Å; L94-F110 HydrophobicContact CG-CE2 4.02Å; L94-F110 HydrophobicContact CG-CZ 3.89Å; I106-F110 HydrophobicContact CG2-CB 4.12Å; I106-F110 HydrophobicContact CG2-CD2 3.71Å; I106-F110 HydrophobicContact CG2-CE2 4.46Å; I106-F110 HydrophobicContact CG2-CG 4.15Å; P107-F110 HydrophobicContact CG-CD1 3.33Å; P107-F110 HydrophobicContact CG-CE1 3.49Å; P107-F110 VanDerWaalsContact CG-CE1 3.49Å; P107-F110 HydrophobicContact CG-CG 3.94Å; P107-F110 HydrophobicContact CG-CZ 4.24Å; P107-F110 PolarHBondContact O-N 2.75Å; A108-F110 VanDerWaalsContact C-N 3.3Å; A108-F110 PolarHBondContact O-N 2.73Å; F110-R112 PolarHBondContact O-N 3.48Å; F110-R112 PolarHBondContact O-NH1 2.93Å; F110-V114 HydrophobicContact CB-CG2 3.86Å; F110-V114 HydrophobicContact CD2-CG1 4.49Å; F110-V114 HydrophobicContact CD2-CG2 4.01Å; F110-V114 HydrophobicContact CG-CG2 4.46Å |
| 111 | R | 96.4 | Very high | 96.5 | Very high | 208 Ų | 208 | 40.1 Ų | 40.1 | 79% | 0.785 | 21% | 0.214 | S | C | * | . | P | Polyproline II helix | trans | -57.8 | 126.3 | 178.5 | -177.4 | 179.4 | 176.4 | 175 | -0.5 | 110.6 | H109 | H109-R111 PolarHBondContact O-N 2.84Š|
| 112 | R | 97.4 | Very high | 97.1 | Very high | 28 Ų | 28 | 39.8 Ų | 39.8 | 11% | 0.106 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -84.7 | 149.8 | 174.8 | -56.5 | -50.3 | -170.3 | -127.2 | 7.8 | 111.6 | H61 E62 G63 P107 F110 | H61-R112 PolarHBondContact O-NE 2.62Å; H61-R112 PolarHBondContact O-NH2 3.38Å; E62-R112 WeakPolarHBondContact OE1-CG 3.37Å; G63-R112 PolarHBondContact O-NH2 2.94Å; P107-R112 PolarHBondContact O-NH1 2.75Å; F110-R112 PolarHBondContact O-N 3.48Å; F110-R112 PolarHBondContact O-NH1 2.93Å |
| 113 | P | 98.1 | Very high | 97.2 | Very high | 52 Ų | 52 | 43.4 Ų | 43.4 | 34% | 0.338 | 24% | 0.237 | S | C | . | . | S | Bend | cis | -70.2 | 140.3 | -7.1 | 27.3 | -33.7 | 0 | 0 | 0 | 113 | L59 N60 L85 | L59-P113 CarbonylContact O-C 3.53Å; L59-P113 VanDerWaalsContact O-CA 3.3Å; L59-P113 WeakPolarHBondContact O-CA 3.39Å; N60-P113 WeakPolarHBondContact OD1-CB 2.95Å; L85-P113 HydrophobicContact CD2-CB 4.1Å; L85-P113 HydrophobicContact CD2-CG 3.95Å |
| 114 | V | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 132 | 169.3 | 169.9 | 0 | 0 | 0 | 0 | 109.2 | L59 V80 S81 A82 I106 F110 | L59-V114 HydrophobicContact CB-CB 4.24Å; L59-V114 HydrophobicContact CD2-CB 4.48Å; L59-V114 PolarHBondContact N-O 2.86Å; L59-V114 PolarHBondContact O-N 2.73Å; V80-V114 HydrophobicContact CG1-CG1 3.28Å; S81-V114 WeakPolarHBondContact O-CG1 3.37Å; A82-V114 HydrophobicContact CB-CG2 4.29Å; I106-V114 HydrophobicContact CD1-CG1 4.22Å; I106-V114 HydrophobicContact CG2-CG1 4.4Å; I106-V114 HydrophobicContact CG2-CG2 4.23Å; F110-V114 HydrophobicContact CB-CG2 3.86Å; F110-V114 HydrophobicContact CD2-CG1 4.49Å; F110-V114 HydrophobicContact CD2-CG2 4.01Å; F110-V114 HydrophobicContact CG-CG2 4.46Å |
| 115 | G | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 134.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | V80 S81 S84 | V80-G115 WeakPolarHBondContact CA-O 3.39Å; S81-G115 PolarHBondContact N-O 3.47Å; S81-G115 PolarHBondContact O-N 2.96Å; S84-G115 WeakPolarHBondContact O-CA 3.3Å |
| 116 | I | 98.7 | Very high | 97.2 | Very high | 6 Ų | 6 | 51.9 Ų | 51.9 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 125 | 174.2 | -59.5 | 164.1 | 0 | 0 | 0 | 107.2 | Y56 L57 L59 L67 L78 Y79 V80 M131 | Y56-I116 CarbonylContact C-O 3.54Å; Y56-I116 WeakPolarHBondContact CA-O 3.34Å; L57-I116 HydrophobicContact CB-CB 4.15Å; L57-I116 PolarHBondContact N-O 2.76Å; L57-I116 PolarHBondContact O-N 3.37Å; L59-I116 HydrophobicContact CB-CD1 3.87Å; L67-I116 HydrophobicContact CD1-CD1 3.65Å; L67-I116 HydrophobicContact CD1-CG1 3.95Å; L67-I116 HydrophobicContact CD1-CG2 4.19Å; L67-I116 HydrophobicContact CD2-CD1 4.17Å; L78-I116 HydrophobicContact CD1-CG2 3.53Å; Y79-I116 CarbonylContact O-C 3.52Å; Y79-I116 WeakPolarHBondContact O-CA 3.48Å; V80-I116 HydrophobicContact CG2-CG1 4.38Å; I116-M131 HydrophobicContact CG2-CE 4.45Å |
| 117 | G | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 123.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y79 | Y79-G117 PolarHBondContact N-O 3.29Å; Y79-G117 PolarHBondContact O-N 3.29Å |
| 118 | V | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 122.2 | 169 | -171.8 | 0 | 0 | 0 | 0 | 107.6 | I49 Y54 S55 M69 A76 D77 L78 F129 | I49-V118 HydrophobicContact CD1-CB 3.62Å; I49-V118 HydrophobicContact CD1-CG1 3.34Å; Y54-V118 CarbonylContact C-O 3.58Å; Y54-V118 VanDerWaalsContact CA-O 3.3Å; Y54-V118 WeakPolarHBondContact CA-O 3.33Å; S55-V118 PolarHBondContact N-O 3.32Å; S55-V118 PolarHBondContact O-N 2.82Å; M69-V118 HydrophobicContact CE-CG1 4.42Å; M69-V118 HydrophobicContact SD-CG1 3.71Å; M69-V118 HydrophobicContact SD-CG2 4.31Å; A76-V118 HydrophobicContact CB-CG1 4.05Å; D77-V118 CarbonylContact O-C 3.51Å; D77-V118 WeakPolarHBondContact O-CA 3.41Å; L78-V118 HydrophobicContact CD1-CG2 4.12Å; V118-F129 HydrophobicContact CB-CE1 4.42Å; V118-F129 HydrophobicContact CB-CZ 4.28Å; V118-F129 HydrophobicContact CG1-CD1 4.01Å; V118-F129 HydrophobicContact CG1-CD2 4.45Å; V118-F129 HydrophobicContact CG1-CE1 3.93Å; V118-F129 HydrophobicContact CG1-CE2 4.37Å; V118-F129 HydrophobicContact CG1-CG 4.28Å; V118-F129 HydrophobicContact CG1-CZ 4.11Å; V118-F129 HydrophobicContact CG2-CE2 4.18Å; V118-F129 HydrophobicContact CG2-CZ 4.1Å |
| 119 | Y | 98 | Very high | 97.3 | Very high | 26 Ų | 26 | 51.6 Ų | 51.6 | 10% | 0.102 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 133.4 | -175 | -179.5 | -118.7 | 0 | 0 | 0 | 110.8 | G52 N53 Y54 A76 D77 Y79 P122 | G52-Y119 VanDerWaalsContact C-CE2 3.48Å; N53-Y119 WeakPolarHBondContact O-CD2 3.44Å; Y54-Y119 HydrophobicContact CD1-CD2 4.1Å; Y54-Y119 AromaticContact CD2-CD2 3.83Å; Y54-Y119 HydrophobicContact CD2-CD2 3.83Å; Y54-Y119 HydrophobicContact CD2-CE2 4.32Å; Y54-Y119 AromaticContact CE1-CD2 3.66Å; Y54-Y119 HydrophobicContact CE1-CD2 3.66Å; Y54-Y119 AromaticContact CE1-CG 3.93Å; Y54-Y119 HydrophobicContact CE1-CG 3.93Å; Y54-Y119 AromaticContact CE2-CD2 3.36Å; Y54-Y119 HydrophobicContact CE2-CD2 3.36Å; Y54-Y119 AromaticContact CE2-CE2 3.68Å; Y54-Y119 HydrophobicContact CE2-CE2 3.68Å; Y54-Y119 HydrophobicContact CE2-CG 4.37Å; Y54-Y119 HydrophobicContact CG-CD2 4.17Å; Y54-Y119 AromaticContact CZ-CD2 3.24Å; Y54-Y119 AromaticContact CZ-CE2 3.88Å; Y54-Y119 AromaticContact CZ-CG 3.83Å; A76-Y119 CarbonylContact C-O 3.54Å; A76-Y119 VanDerWaalsContact CA-O 3.26Å; A76-Y119 WeakPolarHBondContact CA-O 3.46Å; D77-Y119 PolarHBondContact N-O 2.81Å; D77-Y119 PolarHBondContact O-N 2.9Å; Y79-Y119 HydrophobicContact CE2-CD1 4.48Å; Y79-Y119 HydrophobicContact CE2-CG 4.41Å; Y119-P122 WeakPolarHBondContact OH-CG 3.46Å |
| 120 | G | 97.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 114.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | G52 N53 | G52-G120 PolarHBondContact N-O 2.82Å; N53-G120 PolarHBondContact O-N 2.82Å |
| 121 | H | 95.7 | Very high | 97.4 | Very high | 70 Ų | 70 | 45 Ų | 45 | 32% | 0.324 | 22% | 0.223 | S | C | . | . | trans | -62.7 | 134.9 | -177.6 | -169.6 | -90.4 | 0 | 0 | 0 | 111.6 | D75 D77 S123 H124 | D75-H121 HydrophobicContact CB-CB 3.93Å; D75-H121 WeakPolarHBondContact O-CB 3.48Å; D75-H121 PolarHBondContact O-N 3.19Å; D77-H121 IonicContact OD2-CD2 3.77Å; H121-S123 WeakPolarHBondContact ND1-CB 3.45Å; H121-S123 PolarHBondContact ND1-N 2.84Å; H121-S123 PolarHBondContact ND1-OG 2.8Å; H121-S123 PolarHBondContact O-N 3.26Å; H121-H124 PolarHBondContact O-N 3.43Å; H121-H124 VanDerWaalsContact O-N 3.09Å | ||
| 122 | P | 96.5 | Very high | 97.5 | Very high | 77 Ų | 77 | 37.8 Ų | 37.8 | 50% | 0.5 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -16.7 | -173.1 | -26.1 | 35 | 0 | 0 | 0 | 116.5 | Y119 H124 | Y119-P122 WeakPolarHBondContact OH-CG 3.46Å; P122-H124 PolarHBondContact O-N 3.23Å |
| 123 | S | 95.2 | Very high | 97.5 | Very high | 77 Ų | 77 | 36.9 Ų | 36.9 | 54% | 0.538 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -16.5 | 175.6 | 60.2 | 0 | 0 | 0 | 0 | 113.2 | H121 | H121-S123 WeakPolarHBondContact ND1-CB 3.45Å; H121-S123 PolarHBondContact ND1-N 2.84Å; H121-S123 PolarHBondContact ND1-OG 2.8Å; H121-S123 PolarHBondContact O-N 3.26Å |
| 124 | H | 95.9 | Very high | 97.5 | Very high | 71 Ų | 71 | 35.1 Ų | 35.1 | 33% | 0.329 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -117.4 | 128.9 | 178.3 | -59.4 | -73 | 0 | 0 | 0 | 108.9 | A51 G74 D75 H121 P122 E126 | A51-H124 WeakPolarHBondContact CB-O 3.43Å; G74-H124 VanDerWaalsContact CA-CG 3.47Å; D75-H124 WeakPolarHBondContact CB-CD2 3.22Å; D75-H124 PolarHBondContact N-CD2 3.37Å; H121-H124 PolarHBondContact O-N 3.43Å; H121-H124 VanDerWaalsContact O-N 3.09Å; P122-H124 PolarHBondContact O-N 3.23Å; H124-E126 PolarHBondContact O-N 3.08Å; H124-E126 VanDerWaalsContact O-N 3.17Å |
| 125 | L | 97.4 | Very high | 97.4 | Very high | 164 Ų | 164 | 39.8 Ų | 39.8 | 86% | 0.859 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -58 | -31.8 | 178.7 | -69.1 | 175 | 0 | 0 | 0 | 112 | A51 | A51-L125 PolarHBondContact N-O 3.48Š|
| 126 | E | 97.6 | Very high | 97.3 | Very high | 65 Ų | 65 | 40.1 Ų | 40.1 | 30% | 0.304 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 138.8 | -177.5 | -176.1 | -174.2 | -94.3 | 0 | 0 | 109.1 | Q48 I49 K73 H124 | Q48-E126 HydrophobicContact CG-CG 3.54Å; Q48-E126 PolarHBondContact NE2-OE1 3.26Å; Q48-E126 VanDerWaalsContact NE2-OE1 3.11Å; Q48-E126 PolarHBondContact NE2-OE2 3.27Å; I49-E126 WeakPolarHBondContact O-CA 3.24Å; K73-E126 IonicContact NZ-OE2 2.73Å; K73-E126 PolarHBondContact NZ-OE2 3.26Å; H124-E126 PolarHBondContact O-N 3.08Å; H124-E126 VanDerWaalsContact O-N 3.17Å |
| 127 | S | 97.4 | Very high | 97 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 135.6 | 174.3 | -56.8 | 0 | 0 | 0 | 0 | 109.8 | Q48 I49 K73 D75 | Q48-S127 CarbonylContact C-O 3.59Å; Q48-S127 WeakPolarHBondContact CA-O 3.49Å; I49-S127 PolarHBondContact N-O 3.4Å; I49-S127 PolarHBondContact O-N 3.39Å; K73-S127 CarbonylContact O-C 3.56Å; K73-S127 WeakPolarHBondContact O-CA 3.19Å; D75-S127 VanDerWaalsContact C-OG 3.26Å; D75-S127 PolarHBondContact N-OG 3.22Å; D75-S127 WeakPolarHBondContact O-CB 3.47Å; D75-S127 PolarHBondContact O-OG 3.32Å |
| 128 | E | 97.8 | Very high | 96.6 | Very high | 61 Ų | 61 | 44.3 Ų | 44.3 | 29% | 0.285 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 137 | 173.7 | -64 | 168.6 | -146.4 | 0 | 0 | 107.8 | G47 Q48 S71 L72 K73 | G47-E128 WeakPolarHBondContact O-CA 3.38Å; Q48-E128 HydrophobicContact CB-CG 4.28Å; Q48-E128 HydrophobicContact CG-CG 3.92Å; Q48-E128 PolarHBondContact NE2-OE1 2.97Å; S71-E128 CarbonylContact C-O 3.51Å; L72-E128 HydrophobicContact CB-CB 4.24Å; L72-E128 PolarHBondContact N-O 3.12Å; K73-E128 HydrophobicContact CB-CB 4.01Å; K73-E128 HydrophobicContact CB-CG 4.26Å; K73-E128 HydrophobicContact CD-CG 4.21Å; K73-E128 WeakPolarHBondContact CD-OE1 3.33Å; K73-E128 PolarHBondContact N-O 2.87Å; K73-E128 IonicContact NZ-OE1 3.12Å; K73-E128 PolarHBondContact NZ-OE1 3.05Å; K73-E128 VanDerWaalsContact NZ-OE1 3.12Å; K73-E128 PolarHBondContact O-N 3.42Å |
| 129 | F | 96.7 | Very high | 95.3 | Very high | 3 Ų | 3 | 50.3 Ų | 50.3 | 1% | 0.013 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 156.1 | -175.7 | 71.9 | -84 | 0 | 0 | 0 | 112.4 | Q46 G47 I49 M69 R70 A76 V118 M131 | Q46-F129 WeakPolarHBondContact CA-O 3.48Å; G47-F129 PolarHBondContact N-O 3.27Å; G47-F129 VanDerWaalsContact N-O 3.09Å; G47-F129 WeakPolarHBondContact O-CD1 3.34Å; G47-F129 PolarHBondContact O-N 2.93Å; I49-F129 HydrophobicContact CD1-CD1 3.79Å; I49-F129 HydrophobicContact CD1-CE1 3.34Å; I49-F129 HydrophobicContact CD1-CZ 4.25Å; I49-F129 HydrophobicContact CG1-CD1 4.48Å; I49-F129 HydrophobicContact CG1-CE1 3.94Å; M69-F129 HydrophobicContact CG-CB 4.14Å; M69-F129 HydrophobicContact CG-CD2 3.99Å; M69-F129 HydrophobicContact CG-CG 4.42Å; M69-F129 HydrophobicContact SD-CB 4.23Å; M69-F129 HydrophobicContact SD-CD2 3.85Å; M69-F129 HydrophobicContact SD-CG 4.14Å; R70-F129 VanDerWaalsContact O-CA 3.31Å; R70-F129 WeakPolarHBondContact O-CA 3.45Å; A76-F129 HydrophobicContact CB-CB 4.09Å; V118-F129 HydrophobicContact CB-CE1 4.42Å; V118-F129 HydrophobicContact CB-CZ 4.28Å; V118-F129 HydrophobicContact CG1-CD1 4.01Å; V118-F129 HydrophobicContact CG1-CD2 4.45Å; V118-F129 HydrophobicContact CG1-CE1 3.93Å; V118-F129 HydrophobicContact CG1-CE2 4.37Å; V118-F129 HydrophobicContact CG1-CG 4.28Å; V118-F129 HydrophobicContact CG1-CZ 4.11Å; V118-F129 HydrophobicContact CG2-CE2 4.18Å; V118-F129 HydrophobicContact CG2-CZ 4.1Å; F129-M131 HydrophobicContact CD2-CB 4.21Å; F129-M131 HydrophobicContact CE2-CB 4.24Å |
| 130 | E | 97.4 | Very high | 93.6 | Very high | 36 Ų | 36 | 53.6 Ų | 53.6 | 17% | 0.168 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 127.2 | 164.1 | 179.1 | 178 | 100.7 | 0 | 0 | 108.6 | V44 V45 Q46 M69 R70 L72 K132 | V44-E130 HydrophobicContact CG1-CG 3.78Å; V45-E130 CarbonylContact O-C 3.53Å; V45-E130 WeakPolarHBondContact O-CA 3.22Å; Q46-E130 HydrophobicContact CG-CB 4.09Å; Q46-E130 HydrophobicContact CG-CG 4.01Å; Q46-E130 PolarHBondContact NE2-OE2 3.37Å; M69-E130 CarbonylContact C-O 3.55Å; M69-E130 WeakPolarHBondContact CA-O 3.44Å; R70-E130 PolarHBondContact N-O 3.47Å; R70-E130 PolarHBondContact O-N 3.29Å; L72-E130 HydrophobicContact CD1-CB 4.31Å; L72-E130 HydrophobicContact CD2-CB 4.38Å; L72-E130 HydrophobicContact CG-CB 4.44Å; E130-K132 WeakPolarHBondContact OE1-CE 3.45Å; E130-K132 IonicContact OE1-NZ 3.94Å |
| 131 | M | 97.6 | Very high | 91.2 | Very high | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 120.7 | 174.6 | -176.2 | 172.4 | 61.1 | 0 | 0 | 110.4 | V44 V45 L57 L67 R68 M69 L78 I116 F129 | V44-M131 WeakPolarHBondContact CA-O 3.38Å; V45-M131 PolarHBondContact N-O 3.04Å; V45-M131 PolarHBondContact O-N 3.24Å; L57-M131 HydrophobicContact CD1-CE 3.38Å; L67-M131 HydrophobicContact CB-SD 4.1Å; L67-M131 HydrophobicContact CD1-SD 4.17Å; L67-M131 HydrophobicContact CD2-SD 4.23Å; L67-M131 HydrophobicContact CG-SD 4.4Å; R68-M131 CarbonylContact O-C 3.57Å; R68-M131 WeakPolarHBondContact O-CA 3.16Å; M69-M131 HydrophobicContact CB-CB 4.19Å; M69-M131 HydrophobicContact CB-CG 4.18Å; M69-M131 HydrophobicContact CG-CB 4.15Å; L78-M131 HydrophobicContact CD1-SD 4Å; I116-M131 HydrophobicContact CG2-CE 4.45Å; F129-M131 HydrophobicContact CD2-CB 4.21Å; F129-M131 HydrophobicContact CE2-CB 4.24Å |
| 132 | K | 97.7 | Very high | 88.9 | Confident | 55 Ų | 55 | 65.4 Ų | 65.4 | 24% | 0.239 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 130.7 | 171.5 | -61.6 | -176.9 | -173.4 | 172.3 | 0 | 109 | L41 V44 R68 E130 Y134 | L41-K132 HydrophobicContact CD1-CB 3.84Å; L41-K132 HydrophobicContact CD1-CG 4.37Å; V44-K132 HydrophobicContact CG1-CG 4.43Å; V44-K132 HydrophobicContact CG2-CG 4.25Å; R68-K132 PolarHBondContact N-O 3.38Å; R68-K132 PolarHBondContact O-N 3.02Å; E130-K132 WeakPolarHBondContact OE1-CE 3.45Å; E130-K132 IonicContact OE1-NZ 3.94Å; K132-Y134 HydrophobicContact CB-CD2 4.25Å; K132-Y134 HydrophobicContact CB-CE2 3.4Å; K132-Y134 HydrophobicContact CD-CE2 4.42Å; K132-Y134 WeakPolarHBondContact CD-OH 3.48Å |
| 133 | V | 98.2 | Very high | 86.7 | Confident | 9 Ų | 9 | 67.2 Ų | 67.2 | 6% | 0.055 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 116.4 | -179 | -175.6 | 0 | 0 | 0 | 0 | 108.1 | L42 H43 L59 I65 L67 | L42-V133 WeakPolarHBondContact CB-O 3.45Å; L42-V133 PolarHBondContact N-O 2.87Å; H43-V133 HydrophobicContact CB-CB 4.14Å; H43-V133 HydrophobicContact CB-CG2 4.24Å; H43-V133 PolarHBondContact N-O 3.12Å; H43-V133 PolarHBondContact O-N 2.98Å; L59-V133 HydrophobicContact CD1-CG1 4.36Å; I65-V133 HydrophobicContact CG2-CG1 3.64Å; L67-V133 HydrophobicContact CD2-CB 4.32Å; L67-V133 HydrophobicContact CD2-CG1 3.93Å; L67-V133 HydrophobicContact CD2-CG2 3.88Å |
| 134 | Y | 98.1 | Very high | 84.6 | Confident | 15 Ų | 15 | 72.6 Ų | 72.6 | 6% | 0.059 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 143.2 | -178.7 | -61.2 | -89.8 | 0 | 0 | 0 | 111 | V35 W39 V40 L41 I65 V66 R68 K132 | V35-Y134 HydrophobicContact CG1-CD1 4.18Å; V35-Y134 HydrophobicContact CG1-CE1 3.76Å; V35-Y134 HydrophobicContact CG2-CE1 4.41Å; W39-Y134 HydrophobicContact CB-CD1 4.15Å; W39-Y134 HydrophobicContact CB-CG 4.49Å; W39-Y134 HydrophobicContact CE3-CD1 4.46Å; W39-Y134 HydrophobicContact CE3-CD2 4.28Å; W39-Y134 HydrophobicContact CE3-CG 4.05Å; V40-Y134 CarbonylContact O-C 3.58Å; V40-Y134 VanDerWaalsContact O-CA 3.32Å; V40-Y134 WeakPolarHBondContact O-CA 3.26Å; L41-Y134 HydrophobicContact CB-CD1 3.99Å; L41-Y134 HydrophobicContact CB-CE1 3.82Å; L41-Y134 HydrophobicContact CD1-CD1 4.06Å; L41-Y134 HydrophobicContact CD1-CE1 3.7Å; L41-Y134 HydrophobicContact CD1-CE2 4.33Å; L41-Y134 HydrophobicContact CG-CE1 4.31Å; I65-Y134 CarbonylContact C-O 3.57Å; I65-Y134 VanDerWaalsContact CA-O 3.31Å; I65-Y134 WeakPolarHBondContact CA-O 3.49Å; I65-Y134 WeakPolarHBondContact CG2-O 3.27Å; V66-Y134 PolarHBondContact N-O 3.45Å; V66-Y134 PolarHBondContact O-N 2.83Å; R68-Y134 HydrophobicContact CB-CE2 4.16Å; R68-Y134 HydrophobicContact CG-CE2 4.36Å; K132-Y134 HydrophobicContact CB-CD2 4.25Å; K132-Y134 HydrophobicContact CB-CE2 3.4Å; K132-Y134 HydrophobicContact CD-CE2 4.42Å; K132-Y134 WeakPolarHBondContact CD-OH 3.48Å |
| 135 | Y | 97.4 | Very high | 82.3 | Confident | 98 Ų | 98 | 72.6 Ų | 72.6 | 38% | 0.384 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 125.6 | 161.1 | 177.5 | -99.5 | 0 | 0 | 0 | 108.8 | W39 V40 I65 | W39-Y135 WeakPolarHBondContact CA-O 3.36Å; V40-Y135 PolarHBondContact N-O 3.26Å; V40-Y135 PolarHBondContact O-N 2.97Å; I65-Y135 HydrophobicContact CD1-CD2 3.94Å |
| 136 | D | 96.3 | Very high | 79.8 | Confident | 8 Ų | 8 | 73.9 Ų | 73.9 | 4% | 0.043 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 106.2 | 175.2 | -177.6 | -8 | 0 | 0 | 0 | 109.1 | W39 K64 V66 T138 | W39-D136 PolarHBondContact NE1-OD1 2.79Å; W39-D136 PolarHBondContact NE1-OD2 2.84Å; K64-D136 HydrophobicContact CB-CB 4.2Å; K64-D136 HydrophobicContact CD-CB 3.97Å; K64-D136 WeakPolarHBondContact CD-OD2 3.36Å; K64-D136 WeakPolarHBondContact CE-OD2 3.47Å; K64-D136 HydrophobicContact CG-CB 4Å; K64-D136 IonicContact NZ-OD2 2.73Å; K64-D136 PolarHBondContact NZ-OD2 3.43Å; K64-D136 PolarHBondContact O-N 3.11Å; V66-D136 HydrophobicContact CG2-CB 4.19Å; D136-T138 VanDerWaalsContact CG-OG1 3.23Å; D136-T138 PolarHBondContact O-N 2.92Å; D136-T138 VanDerWaalsContact OD1-CB 3.28Å; D136-T138 WeakPolarHBondContact OD1-CB 3.31Å; D136-T138 VanDerWaalsContact OD1-CG2 3.24Å; D136-T138 WeakPolarHBondContact OD1-CG2 3.34Å; D136-T138 PolarHBondContact OD1-N 2.83Å; D136-T138 PolarHBondContact OD1-OG1 2.83Å; D136-T138 PolarHBondContact OD2-OG1 2.81Å |
| 137 | G | 91.9 | Very high | 77.1 | Confident | 34 Ų | 34 | 75 Ų | 75 | 35% | 0.351 | 41% | 0.41 | S | S | . | . | trans | -80 | 3.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | E38 V139 | E38-G137 PolarHBondContact O-N 2.89Å; G137-V139 PolarHBondContact O-N 2.76Å | ||
| 138 | T | 88.9 | Confident | 74.5 | Confident | 59 Ų | 59 | 79 Ų | 79 | 36% | 0.362 | 44% | 0.443 | S | S | . | . | trans | -62 | 123.9 | 177.1 | 55.9 | 0 | 0 | 0 | 0 | 110.2 | E38 D136 E140 | E38-T138 HydrophobicContact CB-CG2 4.01Å; E38-T138 HydrophobicContact CG-CG2 4.1Å; D136-T138 VanDerWaalsContact CG-OG1 3.23Å; D136-T138 PolarHBondContact O-N 2.92Å; D136-T138 VanDerWaalsContact OD1-CB 3.28Å; D136-T138 WeakPolarHBondContact OD1-CB 3.31Å; D136-T138 VanDerWaalsContact OD1-CG2 3.24Å; D136-T138 WeakPolarHBondContact OD1-CG2 3.34Å; D136-T138 PolarHBondContact OD1-N 2.83Å; D136-T138 PolarHBondContact OD1-OG1 2.83Å; D136-T138 PolarHBondContact OD2-OG1 2.81Å; T138-E140 PolarHBondContact O-N 2.83Å; T138-E140 VanDerWaalsContact O-N 3.14Å | ||
| 139 | V | 72.7 | Confident | 72 | Confident | 126 Ų | 126 | 87.3 Ų | 87.3 | 76% | 0.764 | 47% | 0.473 | S | S | * | . | trans | -66.7 | 114.6 | 177.1 | -178.1 | 0 | 0 | 0 | 0 | 107.4 | G137 Q141 | G137-V139 PolarHBondContact O-N 2.76Å; V139-Q141 VanDerWaalsContact C-N 3.29Å; V139-Q141 PolarHBondContact O-N 3.28Å | ||
| 140 | E | 62.2 | Low | 69.4 | Low | 95 Ų | 95 | 93 Ų | 93 | 44% | 0.444 | 51% | 0.511 | S | S | . | . | trans | -65.6 | 93.9 | 171.8 | -66 | -142.1 | 163.4 | 0 | 0 | 108.6 | T138 H142 | T138-E140 PolarHBondContact O-N 2.83Å; T138-E140 VanDerWaalsContact O-N 3.14Å; E140-H142 PolarHBondContact O-N 2.78Å | ||
| 141 | Q | 46.4 | Very low | 67.1 | Low | 173 Ų | 173 | 96.1 Ų | 96.1 | 81% | 0.808 | 54% | 0.542 | S | S | * | . | trans | -68.5 | 90.7 | 163.9 | -68.7 | -179.8 | 12.2 | 0 | 0 | 106.6 | V139 P143 | V139-Q141 VanDerWaalsContact C-N 3.29Å; V139-Q141 PolarHBondContact O-N 3.28Å; Q141-P143 WeakPolarHBondContact O-CD 3.44Å; Q141-P143 VanDerWaalsContact O-N 3.09Å | ||
| 142 | H | 48.1 | Very low | 64.3 | Low | 145 Ų | 145 | 104 Ų | 104 | 67% | 0.671 | 58% | 0.584 | S | S | * | * | trans | -55.8 | 115 | 170.4 | -83.2 | -65.5 | 0 | 0 | 0 | 108.7 | E140 F144 | E140-H142 PolarHBondContact O-N 2.78Å; H142-F144 PolarHBondContact O-N 3.19Å | ||
| 143 | P | 50.7 | Low | 61.4 | Low | 116 Ų | 116 | 104.4 Ų | 104.4 | 75% | 0.753 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -72.8 | 0.3 | -177.1 | -14.6 | 30 | 0 | 0 | 0 | 113.4 | Q141 | Q141-P143 WeakPolarHBondContact O-CD 3.44Å; Q141-P143 VanDerWaalsContact O-N 3.09Å |
| 144 | F | 50.8 | Low | 58.4 | Low | 189 Ų | 189 | 109 Ų | 109 | 83% | 0.829 | 64% | 0.643 | S | S | * | * | trans | -138.4 | 62.4 | -172.8 | -79.8 | -88.2 | 0 | 0 | 0 | 110.9 | H142 | H142-F144 PolarHBondContact O-N 3.19Š| ||
| 145 | G | 47.8 | Very low | 55.6 | Low | 72 Ų | 72 | 116 Ų | 116 | 74% | 0.742 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -113.3 | -5.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 146 | E | 44.9 | Very low | 52.7 | Low | 191 Ų | 191 | 115.8 Ų | 115.8 | 89% | 0.893 | 70% | 0.7 | S | S | * | * | trans | -141.3 | 55.6 | -169 | -153.6 | 138.4 | -171.5 | 0 | 0 | 111.8 | A148 | E146-A148 PolarHBondContact O-N 3.49Š| ||
| 147 | A | 40.9 | Very low | 49.8 | Very low | 89 Ų | 89 | 118.9 Ų | 118.9 | 74% | 0.736 | 73% | 0.734 | S | S | * | * | trans | -91.2 | 87.9 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 148 | A | 42.8 | Very low | 47.1 | Very low | 83 Ų | 83 | 126.5 Ų | 126.5 | 69% | 0.686 | 76% | 0.76 | S | S | * | * | trans | 39 | 101.4 | 144.7 | 0 | 0 | 0 | 0 | 0 | 118 | E146 P150 | E146-A148 PolarHBondContact O-N 3.49Å; A148-P150 WeakPolarHBondContact O-CD 3.48Å | ||
| 149 | Y | 44.7 | Very low | 45 | Very low | 235 Ų | 235 | 133.1 Ų | 133.1 | 92% | 0.922 | 78% | 0.784 | S | S | * | * | trans | -60.2 | 121.6 | 143.6 | -68.6 | -83.7 | 0 | 0 | 0 | 108.2 | A151 | Y149-A151 PolarHBondContact O-N 2.89Š| ||
| 150 | P | 42.1 | Very low | 43.1 | Very low | 124 Ų | 124 | 136.2 Ų | 136.2 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | trans | -77.5 | 104.5 | 164.8 | 30.4 | -26 | 0 | 0 | 0 | 107.2 | A148 D152 | A148-P150 WeakPolarHBondContact O-CD 3.48Å; P150-D152 PolarHBondContact O-N 2.89Å | ||
| 151 | A | 47.9 | Very low | 42.2 | Very low | 101 Ų | 101 | 136.4 Ų | 136.4 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | -80.7 | 97.6 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | Y149 | Y149-A151 PolarHBondContact O-N 2.89Š| ||
| 152 | D | 38.7 | Very low | 41.7 | Very low | 166 Ų | 166 | 140 Ų | 140 | 89% | 0.888 | 81% | 0.814 | S | S | * | * | trans | -163.6 | 122.3 | 157.6 | -152.5 | 15.2 | 0 | 0 | 0 | 108.7 | P150 | P150-D152 PolarHBondContact O-N 2.89Š| ||
| 153 | G | 37.8 | Very low | 41.3 | Very low | 65 Ų | 65 | 136.8 Ų | 136.8 | 67% | 0.67 | 81% | 0.812 | S | S | * | * | cis | -175.5 | 170.2 | 3.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 154 | A | 35.4 | Very low | 40.9 | Very low | 104 Ų | 104 | 137.4 Ų | 137.4 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | 158 | 93.7 | 146.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 155 | D | 38.4 | Very low | 40.8 | Very low | 162 Ų | 162 | 136.2 Ų | 136.2 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | trans | 12.1 | 117.2 | 139.9 | -164 | 25 | 0 | 0 | 0 | 119.1 | ||||
| 156 | A | 36.8 | Very low | 40.9 | Very low | 94 Ų | 94 | 138.9 Ų | 138.9 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | 172.8 | 119.8 | 114.8 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 157 | G | 36 | Very low | 41.1 | Very low | 73 Ų | 73 | 133.4 Ų | 133.4 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | trans | 103.7 | 125.5 | 141.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 158 | Q | 35.2 | Very low | 41.6 | Very low | 194 Ų | 194 | 133.2 Ų | 133.2 | 91% | 0.907 | 79% | 0.791 | S | S | * | * | trans | 88.1 | 103.4 | 150.8 | -65 | -177.8 | -11.2 | 0 | 0 | 119.8 | ||||
| 159 | K | 43.6 | Very low | 41.9 | Very low | 199 Ų | 199 | 134.6 Ų | 134.6 | 87% | 0.865 | 78% | 0.783 | S | S | * | * | trans | -11.9 | 123.4 | 143.2 | -61.5 | 174 | 177.6 | 177.7 | 0 | 114.8 | ||||
| 160 | H | 33 | Very low | 42.5 | Very low | 191 Ų | 191 | 130.4 Ų | 130.4 | 88% | 0.884 | 77% | 0.772 | S | S | * | * | -168.3 | 136.2 | 124.8 | -100.4 | -67.7 | 0 | 0 | 0 | 109.8 | |||||
| 161 | A | 44.8 | Very low | 43.3 | Very low | 98 Ų | 98 | 130.9 Ų | 130.9 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | trans | -63.5 | 135.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 162 | R | 34.6 | Very low | 43.9 | Very low | 250 Ų | 250 | 131.2 Ų | 131.2 | 94% | 0.943 | 75% | 0.748 | S | S | * | * | trans | -160.1 | 127.5 | 153.6 | -133.3 | 170.7 | -179.3 | 131.9 | -2.3 | 110.5 | ||||
| 163 | A | 39.3 | Very low | 45.7 | Very low | 76 Ų | 76 | 126.7 Ų | 126.7 | 63% | 0.628 | 73% | 0.729 | S | S | * | * | trans | -68 | 156.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 164 | P | 42.3 | Very low | 47.9 | Very low | 130 Ų | 130 | 127.9 Ų | 127.9 | 84% | 0.844 | 72% | 0.724 | S | S | * | * | trans | -98.9 | 102.1 | 169.2 | 33.8 | -21.4 | 0 | 0 | 0 | 109.6 | ||||
| 165 | E | 49.6 | Very low | 50.4 | Low | 163 Ų | 163 | 128.6 Ų | 128.6 | 76% | 0.762 | 71% | 0.712 | S | S | * | * | trans | -131.5 | 67.6 | 168 | -63.9 | -176 | 161.1 | 0 | 0 | 107.5 | ||||
| 166 | D | 49.3 | Very low | 52.8 | Low | 128 Ų | 128 | 129.2 Ų | 129.2 | 68% | 0.684 | 70% | 0.702 | S | S | * | * | trans | -149.5 | 62.3 | 179.6 | -85.9 | -40.4 | 0 | 0 | 0 | 110.6 | ||||
| 167 | A | 49.7 | Very low | 55.3 | Low | 77 Ų | 77 | 129 Ų | 129 | 64% | 0.636 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -138.7 | -21.7 | 161.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 168 | S | 50.6 | Low | 58 | Low | 84 Ų | 84 | 129.9 Ų | 129.9 | 59% | 0.587 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -88.7 | -15 | 176.2 | 55.5 | 0 | 0 | 0 | 0 | 114.3 | E172 | S168-E172 PolarHBondContact O-N 2.78Š|
| 169 | Q | 50.3 | Low | 60.8 | Low | 112 Ų | 112 | 125.9 Ų | 125.9 | 52% | 0.523 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -75.3 | -26.1 | -173.7 | -129.4 | -176 | 12.7 | 0 | 0 | 113.6 | E172 S173 | Q169-E172 WeakPolarHBondContact CA-OE1 3.1Å; Q169-E172 HydrophobicContact CG-CG 4.46Å; Q169-E172 WeakPolarHBondContact CG-OE1 3.34Å; Q169-E172 WeakPolarHBondContact O-CG 3.4Å; Q169-S173 PolarHBondContact O-OG 2.97Å |
| 170 | E | 56.4 | Low | 63.2 | Low | 148 Ų | 148 | 120 Ų | 120 | 69% | 0.692 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -76.7 | -37.1 | -179.7 | -51.4 | -172.2 | -159.9 | 0 | 0 | 111 | S173 | E170-S173 PolarHBondContact O-N 3.11Å |
| 171 | E | 59 | Low | 66 | Low | 134 Ų | 134 | 114.8 Ų | 114.8 | 63% | 0.626 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -71.1 | -38.1 | -179.3 | -52.7 | -170.2 | 153.4 | 0 | 0 | 112.2 | S173 V174 L175 | E171-S173 VanDerWaalsContact C-N 3.28Å; E171-S173 PolarHBondContact O-N 2.88Å; E171-V174 PolarHBondContact O-N 3.29Å; E171-L175 WeakPolarHBondContact O-CG 3.34Å; E171-L175 PolarHBondContact O-N 2.78Å |
| 172 | E | 60.3 | Low | 68.3 | Low | 108 Ų | 108 | 115.1 Ų | 115.1 | 51% | 0.505 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -64.6 | -33.2 | 177.5 | 58.9 | 174.3 | 146.7 | 0 | 0 | 112.3 | S168 Q169 W176 | S168-E172 PolarHBondContact O-N 2.78Å; Q169-E172 WeakPolarHBondContact CA-OE1 3.1Å; Q169-E172 HydrophobicContact CG-CG 4.46Å; Q169-E172 WeakPolarHBondContact CG-OE1 3.34Å; Q169-E172 WeakPolarHBondContact O-CG 3.4Å; E172-W176 VanDerWaalsContact O-CB 3.22Å; E172-W176 WeakPolarHBondContact O-CB 3.22Å; E172-W176 PolarHBondContact O-N 2.94Å |
| 173 | S | 76.9 | Confident | 71.2 | Confident | 71 Ų | 71 | 108.7 Ų | 108.7 | 50% | 0.497 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -69.2 | -37.2 | 179.5 | -64.4 | 0 | 0 | 0 | 0 | 112.5 | Q169 E170 E171 T177 | Q169-S173 PolarHBondContact O-OG 2.97Å; E170-S173 PolarHBondContact O-N 3.11Å; E171-S173 VanDerWaalsContact C-N 3.28Å; E171-S173 PolarHBondContact O-N 2.88Å; S173-T177 PolarHBondContact O-N 2.85Å; S173-T177 PolarHBondContact O-OG1 2.86Å |
| 174 | V | 84.3 | Confident | 73.7 | Confident | 90 Ų | 90 | 112.2 Ų | 112.2 | 55% | 0.545 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -71.7 | -46.9 | 178.6 | 179 | 0 | 0 | 0 | 0 | 110.7 | E171 W176 T177 I178 | E171-V174 PolarHBondContact O-N 3.29Å; V174-W176 VanDerWaalsContact C-N 3.33Å; V174-W176 PolarHBondContact O-N 2.84Å; V174-T177 PolarHBondContact O-N 2.93Å; V174-I178 HydrophobicContact CG1-CD1 4.15Å; V174-I178 WeakPolarHBondContact O-CG1 3.3Å; V174-I178 PolarHBondContact O-N 3.41Å; V174-I178 VanDerWaalsContact O-N 3.13Å |
| 175 | L | 88.1 | Confident | 76.1 | Confident | 119 Ų | 119 | 110.9 Ų | 110.9 | 62% | 0.623 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.3 | -39.5 | -179.9 | -66.8 | 175.6 | 0 | 0 | 0 | 112.2 | E171 T177 I178 L179 | E171-L175 WeakPolarHBondContact O-CG 3.34Å; E171-L175 PolarHBondContact O-N 2.78Å; L175-T177 VanDerWaalsContact C-N 3.32Å; L175-T177 PolarHBondContact O-N 3.03Å; L175-I178 PolarHBondContact O-N 2.71Å; L175-L179 PolarHBondContact O-N 2.73Å |
| 176 | W | 88.3 | Confident | 78.2 | Confident | 174 Ų | 174 | 106.4 Ų | 106.4 | 66% | 0.659 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -66.1 | -36.2 | 178.1 | -161.8 | 77.4 | 0 | 0 | 0 | 112.2 | E172 V174 L179 I180 | E172-W176 VanDerWaalsContact O-CB 3.22Å; E172-W176 WeakPolarHBondContact O-CB 3.22Å; E172-W176 PolarHBondContact O-N 2.94Å; V174-W176 VanDerWaalsContact C-N 3.33Å; V174-W176 PolarHBondContact O-N 2.84Å; W176-L179 PolarHBondContact O-N 3.2Å; W176-I180 HydrophobicContact CD2-CD1 3.74Å; W176-I180 HydrophobicContact CE3-CD1 3.38Å; W176-I180 HydrophobicContact CH2-CD1 3.5Å; W176-I180 VanDerWaalsContact CH2-CD1 3.5Å; W176-I180 HydrophobicContact CZ2-CD1 3.83Å; W176-I180 HydrophobicContact CZ3-CD1 3.26Å; W176-I180 WeakPolarHBondContact O-CG1 3.4Å; W176-I180 PolarHBondContact O-N 2.75Å; W176-I180 VanDerWaalsContact O-N 3.11Å |
| 177 | T | 90.4 | Very high | 80.1 | Confident | 91 Ų | 91 | 106.2 Ų | 106.2 | 56% | 0.558 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.1 | -41.5 | 175.7 | -54.4 | 0 | 0 | 0 | 0 | 111.7 | S173 V174 L175 I180 S181 | S173-T177 PolarHBondContact O-N 2.85Å; S173-T177 PolarHBondContact O-OG1 2.86Å; V174-T177 PolarHBondContact O-N 2.93Å; L175-T177 VanDerWaalsContact C-N 3.32Å; L175-T177 PolarHBondContact O-N 3.03Å; T177-I180 PolarHBondContact O-N 3.09Å; T177-S181 PolarHBondContact O-N 2.92Å; T177-S181 VanDerWaalsContact O-N 3.1Å |
| 178 | I | 92.9 | Very high | 82 | Confident | 91 Ų | 91 | 109.6 Ų | 109.6 | 47% | 0.467 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.6 | -44.3 | 175.7 | -65.6 | 167.3 | 0 | 0 | 0 | 110.5 | V174 L175 I180 S181 I182 | V174-I178 HydrophobicContact CG1-CD1 4.15Å; V174-I178 WeakPolarHBondContact O-CG1 3.3Å; V174-I178 PolarHBondContact O-N 3.41Å; V174-I178 VanDerWaalsContact O-N 3.13Å; L175-I178 PolarHBondContact O-N 2.71Å; I178-I180 PolarHBondContact O-N 2.8Å; I178-S181 WeakPolarHBondContact O-CB 3.38Å; I178-S181 PolarHBondContact O-N 3.34Å; I178-I182 HydrophobicContact CG2-CD1 3.86Å; I178-I182 HydrophobicContact CG2-CG1 4.48Å; I178-I182 WeakPolarHBondContact O-CG1 3.21Å; I178-I182 PolarHBondContact O-N 2.87Å |
| 179 | L | 93.9 | Very high | 83.8 | Confident | 110 Ų | 110 | 112 Ų | 112 | 58% | 0.576 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -59.5 | -45.1 | 179.3 | -171.2 | 111.2 | 0 | 0 | 0 | 112 | L175 W176 S181 I182 L183 | L175-L179 PolarHBondContact O-N 2.73Å; W176-L179 PolarHBondContact O-N 3.2Å; L179-S181 VanDerWaalsContact C-N 3.33Å; L179-S181 PolarHBondContact O-N 2.8Å; L179-I182 PolarHBondContact O-N 3.34Å; L179-L183 WeakPolarHBondContact O-CB 3.36Å; L179-L183 PolarHBondContact O-N 2.99Å |
| 180 | I | 93.8 | Very high | 85.1 | Confident | 75 Ų | 75 | 113.2 Ų | 113.2 | 39% | 0.385 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64 | -40.9 | 177.5 | -68.3 | 170.1 | 0 | 0 | 0 | 111 | W176 T177 I178 I182 L183 K184 | W176-I180 HydrophobicContact CD2-CD1 3.74Å; W176-I180 HydrophobicContact CE3-CD1 3.38Å; W176-I180 HydrophobicContact CH2-CD1 3.5Å; W176-I180 VanDerWaalsContact CH2-CD1 3.5Å; W176-I180 HydrophobicContact CZ2-CD1 3.83Å; W176-I180 HydrophobicContact CZ3-CD1 3.26Å; W176-I180 WeakPolarHBondContact O-CG1 3.4Å; W176-I180 PolarHBondContact O-N 2.75Å; W176-I180 VanDerWaalsContact O-N 3.11Å; T177-I180 PolarHBondContact O-N 3.09Å; I178-I180 PolarHBondContact O-N 2.8Å; I180-I182 PolarHBondContact O-N 2.8Å; I180-L183 PolarHBondContact O-N 2.89Å; I180-K184 WeakPolarHBondContact O-CB 3.13Å; I180-K184 PolarHBondContact O-N 3.01Å |
| 181 | S | 91.1 | Very high | 85.8 | Confident | 81 Ų | 81 | 117.5 Ų | 117.5 | 57% | 0.566 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -61.6 | -43.3 | 177.9 | -170.5 | 0 | 0 | 0 | 0 | 111.9 | T177 I178 L179 L185 | T177-S181 PolarHBondContact O-N 2.92Å; T177-S181 VanDerWaalsContact O-N 3.1Å; I178-S181 WeakPolarHBondContact O-CB 3.38Å; I178-S181 PolarHBondContact O-N 3.34Å; L179-S181 VanDerWaalsContact C-N 3.33Å; L179-S181 PolarHBondContact O-N 2.8Å; S181-L185 PolarHBondContact O-N 3.05Å |
| 182 | I | 94.4 | Very high | 87.1 | Confident | 105 Ų | 105 | 116.7 Ų | 116.7 | 54% | 0.538 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -67.4 | -45.8 | 178.1 | -66 | 170.2 | 0 | 0 | 0 | 110.7 | I178 L179 I180 K184 L185 V186 | I178-I182 HydrophobicContact CG2-CD1 3.86Å; I178-I182 HydrophobicContact CG2-CG1 4.48Å; I178-I182 WeakPolarHBondContact O-CG1 3.21Å; I178-I182 PolarHBondContact O-N 2.87Å; L179-I182 PolarHBondContact O-N 3.34Å; I180-I182 PolarHBondContact O-N 2.8Å; I182-K184 VanDerWaalsContact C-N 3.26Å; I182-K184 PolarHBondContact O-N 3.07Å; I182-L185 PolarHBondContact O-N 3.3Å; I182-L185 VanDerWaalsContact O-N 3.17Å; I182-V186 WeakPolarHBondContact O-CG2 3.34Å; I182-V186 PolarHBondContact O-N 3.3Å |
| 183 | L | 94.8 | Very high | 88.5 | Confident | 116 Ų | 116 | 117.2 Ų | 117.2 | 61% | 0.607 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -59.4 | -39.7 | 179.7 | -177.1 | 64.1 | 0 | 0 | 0 | 111.7 | L179 I180 V186 L187 | L179-L183 WeakPolarHBondContact O-CB 3.36Å; L179-L183 PolarHBondContact O-N 2.99Å; I180-L183 PolarHBondContact O-N 2.89Å; L183-V186 PolarHBondContact O-N 3.17Å; L183-L187 PolarHBondContact O-N 3.09Å; L183-L187 VanDerWaalsContact O-N 3.1Å |
| 184 | K | 91.8 | Very high | 89.2 | Confident | 150 Ų | 150 | 119.7 Ų | 119.7 | 65% | 0.652 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -63.5 | -42.9 | 176.9 | -172.7 | 171 | -179.5 | 166.1 | 0 | 112.2 | I180 I182 L187 E188 | I180-K184 WeakPolarHBondContact O-CB 3.13Å; I180-K184 PolarHBondContact O-N 3.01Å; I182-K184 VanDerWaalsContact C-N 3.26Å; I182-K184 PolarHBondContact O-N 3.07Å; K184-L187 PolarHBondContact O-N 2.84Å; K184-E188 PolarHBondContact O-N 2.84Å; K184-E188 VanDerWaalsContact O-N 3.08Å |
| 185 | L | 92.9 | Very high | 89.5 | Confident | 102 Ų | 102 | 121.5 Ų | 121.5 | 53% | 0.534 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -64.1 | -40.8 | 178.1 | -173.3 | 151.5 | 0 | 0 | 0 | 111.8 | S181 I182 E188 I189 | S181-L185 PolarHBondContact O-N 3.05Å; I182-L185 PolarHBondContact O-N 3.3Å; I182-L185 VanDerWaalsContact O-N 3.17Å; L185-E188 PolarHBondContact O-N 2.87Å; L185-I189 HydrophobicContact CD2-CD1 3.61Å; L185-I189 WeakPolarHBondContact O-CG1 3.18Å; L185-I189 PolarHBondContact O-N 2.94Å |
| 186 | V | 93.3 | Very high | 89.6 | Confident | 68 Ų | 68 | 121.6 Ų | 121.6 | 41% | 0.412 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.5 | -41.7 | 177.2 | 174.5 | 0 | 0 | 0 | 0 | 111.4 | I182 L183 E188 I189 L190 | I182-V186 WeakPolarHBondContact O-CG2 3.34Å; I182-V186 PolarHBondContact O-N 3.3Å; L183-V186 PolarHBondContact O-N 3.17Å; V186-E188 VanDerWaalsContact C-N 3.33Å; V186-E188 PolarHBondContact O-N 3.12Å; V186-I189 PolarHBondContact O-N 2.99Å; V186-L190 HydrophobicContact CG1-CD1 4Å; V186-L190 PolarHBondContact O-N 2.73Å |
| 187 | L | 90 | Very high | 89.7 | Confident | 125 Ų | 125 | 118.1 Ų | 118.1 | 65% | 0.654 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.7 | -38.1 | 178.6 | -160.2 | 83.7 | 0 | 0 | 0 | 111.9 | L183 K184 I189 L190 F191 | L183-L187 PolarHBondContact O-N 3.09Å; L183-L187 VanDerWaalsContact O-N 3.1Å; K184-L187 PolarHBondContact O-N 2.84Å; L187-I189 VanDerWaalsContact C-N 3.28Å; L187-I189 PolarHBondContact O-N 2.79Å; L187-L190 PolarHBondContact O-N 3.11Å; L187-F191 PolarHBondContact O-N 3.46Å |
| 188 | E | 88 | Confident | 89.6 | Confident | 147 Ų | 147 | 120.1 Ų | 120.1 | 69% | 0.687 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.6 | -27.4 | 176.5 | -172.7 | 176.1 | 170.3 | 0 | 0 | 113.2 | K184 L185 V186 | K184-E188 PolarHBondContact O-N 2.84Å; K184-E188 VanDerWaalsContact O-N 3.08Å; L185-E188 PolarHBondContact O-N 2.87Å; V186-E188 VanDerWaalsContact C-N 3.33Å; V186-E188 PolarHBondContact O-N 3.12Å |
| 189 | I | 88.4 | Confident | 89.3 | Confident | 135 Ų | 135 | 122.3 Ų | 122.3 | 69% | 0.692 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -79.9 | -27.8 | 175.5 | -67.1 | 168.9 | 0 | 0 | 0 | 111.6 | L185 V186 L187 | L185-I189 HydrophobicContact CD2-CD1 3.61Å; L185-I189 WeakPolarHBondContact O-CG1 3.18Å; L185-I189 PolarHBondContact O-N 2.94Å; V186-I189 PolarHBondContact O-N 2.99Å; L187-I189 VanDerWaalsContact C-N 3.28Å; L187-I189 PolarHBondContact O-N 2.79Å |
| 190 | L | 79.3 | Confident | 89 | Confident | 137 Ų | 137 | 123.3 Ų | 123.3 | 72% | 0.717 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -89.4 | -13.8 | -173.6 | -104.7 | 146 | 0 | 0 | 0 | 114.1 | V186 L187 | V186-L190 HydrophobicContact CG1-CD1 4Å; V186-L190 PolarHBondContact O-N 2.73Å; L187-L190 PolarHBondContact O-N 3.11Å |
| 191 | F | 70.1 | Confident | 88.5 | Confident | 239 Ų | 239 | 127.7 Ų | 127.7 | 100% | 1.048 | 65% | 0.646 | S | S | * | * | trans | -138.4 | 0 | -175.9 | -151.2 | -81.2 | 0 | 0 | 0 | 111.7 | L187 | L187-F191 PolarHBondContact O-N 3.46Š|
Retrieved 191 of 191 residues in 211.2 ms
(Link to these results)