| 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 | 36.7 | Very low | 34 | Very low | 217 Ų | 217 | 166.9 Ų | 166.9 | 100% | 1.069 | 85% | 0.85 | S | S | * | * | 0 | 94.9 | 0 | -72.1 | 161.4 | 168.9 | 0 | 0 | 106.4 | |||||
| 2 | E | 30 | Very low | 34.6 | Very low | 172 Ų | 172 | 158.2 Ų | 158.2 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | 68 | 123.5 | 71.3 | -64.4 | 166.6 | 142 | 0 | 0 | 109.9 | |||||
| 3 | S | 29.7 | Very low | 35.5 | Very low | 107 Ų | 107 | 155.5 Ų | 155.5 | 75% | 0.748 | 84% | 0.835 | S | S | * | * | cis | -156 | 125.7 | 1.7 | -75.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 4 | A | 31.3 | Very low | 36.3 | Very low | 86 Ų | 86 | 151.6 Ų | 151.6 | 71% | 0.711 | 84% | 0.835 | S | S | * | * | 109.4 | 94.1 | 85.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 5 | W | 31.5 | Very low | 37.1 | Very low | 225 Ų | 225 | 150.7 Ų | 150.7 | 85% | 0.852 | 84% | 0.835 | S | S | * | * | trans | 52.4 | 105.6 | 146.2 | -65.7 | 89.7 | 0 | 0 | 0 | 121.3 | ||||
| 6 | L | 35.7 | Very low | 37.8 | Very low | 168 Ų | 168 | 148.9 Ų | 148.9 | 88% | 0.88 | 83% | 0.829 | S | S | * | * | trans | -60.7 | 133.1 | 144.4 | -81.4 | 79.1 | 0 | 0 | 0 | 110 | ||||
| 7 | R | 32.2 | Very low | 38.1 | Very low | 220 Ų | 220 | 150.6 Ų | 150.6 | 83% | 0.83 | 83% | 0.826 | S | S | * | * | trans | -137.7 | 120.5 | 145.9 | -85.3 | -164 | 179.4 | -154.8 | -0.1 | 111.1 | ||||
| 8 | T | 37.1 | Very low | 38.4 | Very low | 132 Ų | 132 | 153.3 Ų | 153.3 | 81% | 0.81 | 83% | 0.829 | S | S | * | * | trans | -44 | 136.3 | 163.9 | 44.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 9 | W | 31 | Very low | 38.5 | Very low | 250 Ų | 250 | 153.6 Ų | 153.6 | 95% | 0.947 | 83% | 0.83 | S | S | * | * | trans | -121.6 | 155 | 151.9 | -107.1 | 54.3 | 0 | 0 | 0 | 110.7 | ||||
| 10 | T | 33 | Very low | 38.9 | Very low | 126 Ų | 126 | 151.6 Ų | 151.6 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | trans | -86.5 | 159.1 | -153.9 | 43.7 | 0 | 0 | 0 | 0 | 115.4 | G12 | T10-G12 PolarHBondContact O-N 3Š| ||
| 11 | S | 46.1 | Very low | 39.3 | Very low | 133 Ų | 133 | 151.3 Ų | 151.3 | 93% | 0.93 | 82% | 0.82 | S | S | * | * | trans | -44.8 | 129.5 | 159 | -177.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 12 | G | 41.2 | Very low | 39.7 | Very low | 62 Ų | 62 | 145.5 Ų | 145.5 | 64% | 0.639 | 81% | 0.807 | S | S | * | * | trans | -174.5 | 127.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | T10 | T10-G12 PolarHBondContact O-N 3Š| ||
| 13 | S | 45.5 | Very low | 40.5 | Very low | 123 Ų | 123 | 145.9 Ų | 145.9 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | 58.8 | 66.6 | 162.6 | -59.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 14 | A | 46.5 | Very low | 41.1 | Very low | 101 Ų | 101 | 145 Ų | 145 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | -113.3 | 28.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 15 | V | 49.5 | Very low | 41.7 | Very low | 139 Ų | 139 | 152.7 Ų | 152.7 | 84% | 0.842 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -140.7 | 34.5 | -179.9 | -154.7 | 0 | 0 | 0 | 0 | 113.8 | ||
| 16 | V | 47.6 | Very low | 42.2 | Very low | 122 Ų | 122 | 149 Ų | 149 | 74% | 0.739 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -142.6 | 41.6 | 171.2 | -154.8 | 0 | 0 | 0 | 0 | 113.4 | ||
| 17 | F | 43.3 | Very low | 42.2 | Very low | 178 Ų | 178 | 144 Ų | 144 | 78% | 0.781 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -138.3 | 24.1 | 176.4 | -88.4 | -72.4 | 0 | 0 | 0 | 115.1 | ||
| 18 | F | 43.5 | Very low | 42.6 | Very low | 199 Ų | 199 | 137.8 Ų | 137.8 | 87% | 0.873 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -131.1 | 21.7 | 175.3 | -98.8 | -76.2 | 0 | 0 | 0 | 114.4 | ||
| 19 | N | 39.4 | Very low | 43.2 | Very low | 159 Ų | 159 | 138.4 Ų | 138.4 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -131.4 | 18.6 | 176.2 | -87.1 | -55.4 | 0 | 0 | 0 | 114.2 | ||
| 20 | T | 47.3 | Very low | 44.5 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 69% | 0.693 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -124.2 | 16.6 | 178 | 49.4 | 0 | 0 | 0 | 0 | 113.3 | ||
| 21 | L | 47 | Very low | 45.8 | Very low | 145 Ų | 145 | 129.2 Ų | 129.2 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -126.7 | 30 | -178 | -92.7 | 161.9 | 0 | 0 | 0 | 112.9 | ||
| 22 | A | 44.5 | Very low | 47 | Very low | 95 Ų | 95 | 124.5 Ų | 124.5 | 79% | 0.785 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -132.4 | 22.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 23 | L | 47.1 | Very low | 49.2 | Very low | 180 Ų | 180 | 121.7 Ų | 121.7 | 94% | 0.942 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -126.9 | 7.7 | 178.8 | -95.8 | 155.9 | 0 | 0 | 0 | 113.5 | ||
| 24 | S | 43.2 | Very low | 51.3 | Low | 90 Ų | 90 | 118.8 Ų | 118.8 | 63% | 0.629 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -94.3 | 118.9 | 172.8 | 53.3 | 0 | 0 | 0 | 0 | 110.9 | ||
| 25 | W | 44.2 | Very low | 53.4 | Low | 246 Ų | 246 | 114 Ų | 114 | 93% | 0.932 | 64% | 0.635 | S | S | * | * | trans | 67.8 | 79.4 | 169.2 | -69.7 | -7.9 | 0 | 0 | 0 | 118.4 | ||||
| 26 | T | 41.3 | Very low | 55.2 | Low | 149 Ų | 149 | 110.9 Ų | 110.9 | 91% | 0.914 | 61% | 0.613 | S | S | * | * | -120.6 | 47.5 | 129.8 | 61.3 | 0 | 0 | 0 | 0 | 110.6 | A28 | T26-A28 PolarHBondContact O-N 3.35Å; T26-A28 VanDerWaalsContact O-N 3.17Å | |||
| 27 | G | 35.5 | Very low | 57 | Low | 61 Ų | 61 | 107.3 Ų | 107.3 | 63% | 0.629 | 60% | 0.6 | S | S | * | * | trans | -71.7 | 100.8 | 159 | 0 | 0 | 0 | 0 | 0 | 107.2 | I29 | G27-I29 PolarHBondContact O-N 3.43Å; G27-I29 VanDerWaalsContact O-N 3.13Å | ||
| 28 | A | 40.8 | Very low | 59.1 | Low | 90 Ų | 90 | 107 Ų | 107 | 74% | 0.744 | 59% | 0.594 | S | S | * | * | trans | -58.9 | 118.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | T26 E30 | T26-A28 PolarHBondContact O-N 3.35Å; T26-A28 VanDerWaalsContact O-N 3.17Å; A28-E30 VanDerWaalsContact C-N 3.32Å; A28-E30 PolarHBondContact O-N 2.9Å | ||
| 29 | I | 50.6 | Low | 61 | Low | 145 Ų | 145 | 102.5 Ų | 102.5 | 74% | 0.744 | 58% | 0.576 | S | S | * | * | trans | -72.1 | 95.7 | 176.6 | -60.4 | 174.4 | 0 | 0 | 0 | 106.2 | G27 | G27-I29 PolarHBondContact O-N 3.43Å; G27-I29 VanDerWaalsContact O-N 3.13Å | ||
| 30 | E | 56.5 | Low | 63.2 | Low | 162 Ų | 162 | 102.2 Ų | 102.2 | 76% | 0.757 | 57% | 0.569 | S | S | * | * | trans | -61.3 | 129.4 | 177.7 | -70.1 | 177.2 | 141.1 | 0 | 0 | 109.3 | A28 A32 | A28-E30 VanDerWaalsContact C-N 3.32Å; A28-E30 PolarHBondContact O-N 2.9Å; E30-A32 PolarHBondContact O-N 2.9Å | ||
| 31 | P | 61.3 | Low | 65.2 | Low | 22 Ų | 22 | 97.9 Ų | 97.9 | 14% | 0.143 | 55% | 0.545 | C | S | . | . | trans | -69.7 | 102.6 | -178.1 | 28 | -34.4 | 0 | 0 | 0 | 110.1 | L33 V59 W60 Y132 | P31-L33 PolarHBondContact O-N 3.25Å; P31-V59 HydrophobicContact CB-CB 4.25Å; P31-V59 WeakPolarHBondContact CB-O 3.31Å; P31-W60 HydrophobicContact CB-CE3 4.17Å; P31-W60 HydrophobicContact CB-CZ3 4.29Å; P31-W60 HydrophobicContact CG-CZ3 4.27Å; P31-Y132 HydrophobicContact CG-CD1 3.84Å; P31-Y132 HydrophobicContact CG-CD2 3.66Å; P31-Y132 HydrophobicContact CG-CE1 3.56Å; P31-Y132 HydrophobicContact CG-CE2 3.37Å; P31-Y132 HydrophobicContact CG-CG 3.89Å | ||
| 32 | A | 71.5 | Confident | 67.2 | Low | 33 Ų | 33 | 95 Ų | 95 | 27% | 0.273 | 54% | 0.543 | S | S | . | . | trans | -73.1 | 95.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | E30 | E30-A32 PolarHBondContact O-N 2.9Š| ||
| 33 | L | 87.4 | Confident | 69.5 | Low | 4 Ų | 4 | 92.1 Ų | 92.1 | 2% | 0.021 | 52% | 0.515 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 138.4 | 164.5 | -167 | 66.1 | 0 | 0 | 0 | 109.5 | P31 L68 C121 A123 Y132 A134 | P31-L33 PolarHBondContact O-N 3.25Å; L33-L68 HydrophobicContact CD1-CD2 4.14Å; L33-C121 HydrophobicContact CD2-CB 4.41Å; L33-C121 VanDerWaalsContact CD2-O 3.31Å; L33-C121 WeakPolarHBondContact CD2-O 3.37Å; L33-A123 HydrophobicContact CD1-CB 3.73Å; L33-A123 HydrophobicContact CD2-CB 3.77Å; L33-A123 HydrophobicContact CG-CB 4.35Å; L33-Y132 VanDerWaalsContact CD2-O 3.31Å; L33-Y132 WeakPolarHBondContact CD2-O 3.09Å; L33-A134 HydrophobicContact CB-CB 4.22Å; L33-A134 HydrophobicContact CD2-CB 4.21Å; L33-A134 HydrophobicContact CG-CB 4Å |
| 34 | K | 90.1 | Very high | 71.6 | Confident | 61 Ų | 61 | 87.3 Ų | 87.3 | 27% | 0.265 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 139.1 | -176 | -67.2 | 166.2 | -171.9 | 167.4 | 0 | 111.3 | R38 C55 Q56 D58 | K34-R38 CarbonylContact C-O 3.57Å; K34-R38 WeakPolarHBondContact CA-O 3.42Å; K34-C55 CarbonylContact O-C 3.55Å; K34-C55 WeakPolarHBondContact O-CA 3.3Å; K34-Q56 PolarHBondContact N-O 3.17Å; K34-Q56 PolarHBondContact O-N 3.31Å; K34-D58 WeakPolarHBondContact CE-OD2 3.47Å; K34-D58 IonicContact NZ-OD2 3.91Å; K34-D58 PolarHBondContact NZ-OD2 3.09Å |
| 35 | I | 89.3 | Confident | 74 | Confident | 2 Ų | 2 | 83.2 Ų | 83.2 | 1% | 0.01 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 124.5 | 164.1 | -62 | 164 | 0 | 0 | 0 | 107.5 | G37 R38 F53 N54 C55 W70 C121 A134 V136 | I35-G37 PolarHBondContact O-N 3.37Å; I35-G37 VanDerWaalsContact O-N 3.08Å; I35-R38 PolarHBondContact N-O 2.96Å; I35-R38 PolarHBondContact O-N 3.29Å; I35-F53 HydrophobicContact CG2-CB 4.01Å; I35-F53 HydrophobicContact CG2-CD1 3.88Å; I35-F53 HydrophobicContact CG2-CG 4.38Å; I35-N54 CarbonylContact C-O 3.55Å; I35-N54 WeakPolarHBondContact CA-O 3.49Å; I35-C55 HydrophobicContact CG1-CB 4.32Å; I35-W70 HydrophobicContact CD1-CZ3 3.96Å; I35-W70 HydrophobicContact CG1-CH2 4.24Å; I35-W70 HydrophobicContact CG1-CZ3 4.18Å; I35-W70 HydrophobicContact CG2-CH2 4.36Å; I35-C121 HydrophobicContact CD1-CB 3.77Å; I35-C121 HydrophobicContact CG1-CB 3.87Å; I35-A134 HydrophobicContact CD1-CB 4.03Å; I35-A134 VanDerWaalsContact CD1-O 3.29Å; I35-A134 WeakPolarHBondContact CD1-O 3.29Å; I35-A134 HydrophobicContact CG1-CB 3.9Å; I35-V136 HydrophobicContact CB-CG2 3.83Å; I35-V136 HydrophobicContact CD1-CG2 3.8Å; I35-V136 HydrophobicContact CG1-CG2 4.44Å; I35-V136 HydrophobicContact CG2-CG2 3.62Å |
| 36 | D | 88.8 | Confident | 76.3 | Confident | 73 Ų | 73 | 76.5 Ų | 76.5 | 39% | 0.39 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | 37.6 | -177.6 | -55.1 | -40.8 | 0 | 0 | 0 | 113.4 | F53 N54 | D36-F53 VanDerWaalsContact OD2-CD1 3.29Å; D36-F53 WeakPolarHBondContact OD2-CD1 3.3Å; D36-N54 PolarHBondContact N-O 2.92Å; D36-N54 WeakPolarHBondContact OD1-CB 3.45Å; D36-N54 PolarHBondContact OD1-N 2.96Å |
| 37 | G | 84.9 | Confident | 78.8 | Confident | 46 Ų | 46 | 72.8 Ų | 72.8 | 47% | 0.474 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | 1.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | I35 | I35-G37 PolarHBondContact O-N 3.37Å; I35-G37 VanDerWaalsContact O-N 3.08Å |
| 38 | R | 86.5 | Confident | 81.5 | Confident | 173 Ų | 173 | 74.4 Ų | 74.4 | 65% | 0.653 | 41% | 0.41 | S | S | * | . | B | Isolated β-bridge | trans | -123.2 | 142.6 | 178.9 | -61.7 | -174.8 | 179.8 | -140 | 0.2 | 111.9 | K34 I35 A41 | K34-R38 CarbonylContact C-O 3.57Å; K34-R38 WeakPolarHBondContact CA-O 3.42Å; I35-R38 PolarHBondContact N-O 2.96Å; I35-R38 PolarHBondContact O-N 3.29Å; R38-A41 HydrophobicContact CB-CB 4.2Å |
| 39 | Q | 84.3 | Confident | 84 | Confident | 104 Ų | 104 | 74 Ų | 74 | 49% | 0.486 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -76.8 | -36.1 | 175.3 | -174.1 | 178.3 | 8.2 | 0 | 0 | 112.1 | A134 T135 | Q39-A134 CarbonylContact O-C 3.55Å; Q39-A134 VanDerWaalsContact O-CA 3.3Å; Q39-A134 WeakPolarHBondContact O-CA 3.41Å; Q39-T135 PolarHBondContact O-N 2.81Å |
| 40 | Q | 86.1 | Confident | 86 | Confident | 152 Ų | 152 | 71.3 Ų | 71.3 | 71% | 0.71 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 130.9 | 171.9 | -67.1 | -177.6 | -10 | 0 | 0 | 108.8 | T135 | Q40-T135 WeakPolarHBondContact CA-O 3.48Å |
| 41 | A | 87.7 | Confident | 87.8 | Confident | 23 Ų | 23 | 66.5 Ų | 66.5 | 19% | 0.19 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 161.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R38 T135 V136 T137 | R38-A41 HydrophobicContact CB-CB 4.2Å; A41-T135 PolarHBondContact N-O 3.17Å; A41-T135 VanDerWaalsContact N-O 3.11Å; A41-V136 HydrophobicContact CB-CG1 4.47Å; A41-V136 HydrophobicContact CB-CG2 4.35Å; A41-V136 CarbonylContact O-C 3.58Å; A41-V136 WeakPolarHBondContact O-CA 3.3Å; A41-T137 PolarHBondContact O-N 3.36Å |
| 42 | A | 90.5 | Very high | 89.4 | Confident | 85 Ų | 85 | 73.9 Ų | 73.9 | 70% | 0.702 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 130.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | T137 | A42-T137 WeakPolarHBondContact CA-O 3.45Å |
| 43 | V | 91.4 | Very high | 90.4 | Very high | 34 Ų | 34 | 72.3 Ų | 72.3 | 21% | 0.206 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 127.1 | -177.8 | 179.2 | 0 | 0 | 0 | 0 | 109.5 | L45 F53 V136 T137 N139 | V43-L45 HydrophobicContact CG1-CD2 3.76Å; V43-L45 HydrophobicContact CG1-CG 4.04Å; V43-F53 HydrophobicContact CG2-CE1 4.35Å; V43-V136 HydrophobicContact CB-CG1 4.05Å; V43-V136 HydrophobicContact CG2-CG1 3.67Å; V43-T137 PolarHBondContact N-O 3.44Å; V43-N139 PolarHBondContact O-N 3.42Å |
| 44 | T | 92.4 | Very high | 90.6 | Very high | 79 Ų | 79 | 73.9 Ų | 73.9 | 49% | 0.485 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 125.9 | 173.3 | -61.6 | 0 | 0 | 0 | 0 | 109.4 | N139 Q141 | T44-N139 WeakPolarHBondContact CA-O 3.23Å; T44-N139 PolarHBondContact OG1-ND2 3.19Å; T44-N139 VanDerWaalsContact OG1-ND2 3.16Å; T44-Q141 HydrophobicContact CG2-CG 3.88Å; T44-Q141 VanDerWaalsContact CG2-NE2 3.28Å |
| 45 | L | 93.4 | Very high | 90.6 | Very high | 3 Ų | 3 | 71 Ų | 71 | 2% | 0.016 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 149.2 | 179 | -60.5 | 177.9 | 0 | 0 | 0 | 109.3 | V43 M49 H51 F53 A112 L138 N139 V140 Q141 | V43-L45 HydrophobicContact CG1-CD2 3.76Å; V43-L45 HydrophobicContact CG1-CG 4.04Å; L45-M49 HydrophobicContact CB-CE 4.19Å; L45-M49 HydrophobicContact CD2-CE 3.54Å; L45-M49 HydrophobicContact CG-CE 4.49Å; L45-H51 HydrophobicContact CD1-CB 4.14Å; L45-H51 HydrophobicContact CD2-CB 3.75Å; L45-F53 HydrophobicContact CD1-CZ 4.29Å; L45-A112 HydrophobicContact CB-CB 4.04Å; L45-A112 HydrophobicContact CD1-CB 4.02Å; L45-L138 HydrophobicContact CD1-CD2 4.18Å; L45-N139 PolarHBondContact N-O 3.27Å; L45-V140 CarbonylContact O-C 3.6Å; L45-V140 VanDerWaalsContact O-CA 3.31Å; L45-V140 WeakPolarHBondContact O-CA 3.39Å; L45-Q141 PolarHBondContact O-N 2.71Å |
| 46 | Q | 92.9 | Very high | 90.6 | Very high | 106 Ų | 106 | 74.1 Ų | 74.1 | 50% | 0.495 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 146.5 | 166.6 | -168.6 | 173.2 | -5.1 | 0 | 0 | 109.8 | M49 Q141 V228 | Q46-M49 HydrophobicContact CB-CB 4.41Å; Q46-M49 WeakPolarHBondContact O-CB 3.35Å; Q46-M49 PolarHBondContact O-N 3.49Å; Q46-M49 VanDerWaalsContact O-N 3.13Å; Q46-Q141 CarbonylContact C-O 3.55Å; Q46-Q141 WeakPolarHBondContact CA-O 3.32Å; Q46-V228 HydrophobicContact CG-CG1 4.3Å |
| 47 | E | 92.8 | Very high | 90.3 | Very high | 71 Ų | 71 | 71.2 Ų | 71.2 | 33% | 0.332 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | 142.9 | 170.8 | 176.1 | 173.9 | -152.7 | 0 | 0 | 110.6 | M49 K114 V140 Q141 F142 | E47-M49 PolarHBondContact O-N 3.31Å; E47-K114 VanDerWaalsContact CD-CE 3.42Å; E47-K114 VanDerWaalsContact CD-CG 3.42Å; E47-K114 HydrophobicContact CG-CG 4.36Å; E47-K114 VanDerWaalsContact OE1-CE 3.22Å; E47-K114 WeakPolarHBondContact OE1-CE 3.33Å; E47-K114 WeakPolarHBondContact OE1-CG 3.27Å; E47-K114 WeakPolarHBondContact OE2-CE 3.42Å; E47-V140 HydrophobicContact CB-CG1 4.27Å; E47-Q141 PolarHBondContact N-O 3.38Å; E47-F142 HydrophobicContact CB-CB 4.02Å; E47-F142 VanDerWaalsContact OE2-CB 3.3Å; E47-F142 WeakPolarHBondContact OE2-CB 3.5Å |
| 48 | N | 92.6 | Very high | 89.7 | Confident | 95 Ų | 95 | 73.3 Ų | 73.3 | 51% | 0.508 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.1 | -9.4 | -178.5 | -164.3 | 31.4 | 0 | 0 | 0 | 115 | R111 A112 | N48-R111 PolarHBondContact OD1-NE 2.97Å; N48-R111 PolarHBondContact OD1-NH2 2.93Å; N48-A112 PolarHBondContact N-O 3.46Å |
| 49 | M | 92.8 | Very high | 88.8 | Confident | 81 Ų | 81 | 68.5 Ų | 68.5 | 40% | 0.399 | 36% | 0.359 | S | S | . | . | trans | -67.6 | 141.3 | 171.6 | -165 | 167.4 | 75.9 | 0 | 0 | 110.6 | L45 Q46 E47 A112 | L45-M49 HydrophobicContact CB-CE 4.19Å; L45-M49 HydrophobicContact CD2-CE 3.54Å; L45-M49 HydrophobicContact CG-CE 4.49Å; Q46-M49 HydrophobicContact CB-CB 4.41Å; Q46-M49 WeakPolarHBondContact O-CB 3.35Å; Q46-M49 PolarHBondContact O-N 3.49Å; Q46-M49 VanDerWaalsContact O-N 3.13Å; E47-M49 PolarHBondContact O-N 3.31Å; M49-A112 PolarHBondContact O-N 3.46Å | ||
| 50 | T | 93.8 | Very high | 88.1 | Confident | 88 Ų | 88 | 65.4 Ų | 65.4 | 54% | 0.54 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 124.2 | 174.7 | -56.6 | 0 | 0 | 0 | 0 | 109.8 | L110 | T50-L110 CarbonylContact C-O 3.55Å; T50-L110 VanDerWaalsContact CA-O 3.29Å; T50-L110 WeakPolarHBondContact CA-O 3.23Å |
| 51 | H | 93.4 | Very high | 87.3 | Confident | 62 Ų | 62 | 59.9 Ų | 59.9 | 29% | 0.287 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 140 | 177.1 | -165.9 | 84.8 | 0 | 0 | 0 | 110.1 | L45 F53 S109 L110 | L45-H51 HydrophobicContact CD1-CB 4.14Å; L45-H51 HydrophobicContact CD2-CB 3.75Å; H51-F53 HydrophobicContact CB-CE2 4.13Å; H51-F53 HydrophobicContact CB-CZ 4.42Å; H51-F53 AromaticContact CD2-CD1 3.82Å; H51-F53 AromaticContact CD2-CD2 3.88Å; H51-F53 AromaticContact CD2-CE1 3.56Å; H51-F53 AromaticContact CD2-CE2 3.64Å; H51-F53 AromaticContact CD2-CG 3.98Å; H51-F53 AromaticContact CD2-CZ 3.48Å; H51-F53 VanDerWaalsContact CD2-CZ 3.48Å; H51-F53 WeakPolarHBondContact CD2-CZ 3.31Å; H51-S109 CarbonylContact O-C 3.35Å; H51-S109 WeakPolarHBondContact O-CA 3.45Å; H51-L110 PolarHBondContact N-O 2.98Å; H51-L110 PolarHBondContact O-N 3.08Å |
| 52 | R | 94 | Very high | 86.3 | Confident | 176 Ų | 176 | 64.1 Ų | 64.1 | 66% | 0.664 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 102.6 | -178 | -174.2 | -175.7 | 67.8 | -153.9 | 0.1 | 110.2 | F108 | R52-F108 WeakPolarHBondContact CA-O 3.48Å |
| 53 | F | 93.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 145.8 | 175.7 | -62.2 | -84.3 | 0 | 0 | 0 | 110.7 | I35 D36 V43 L45 H51 W70 T107 F108 L110 L119 V136 L138 | I35-F53 HydrophobicContact CG2-CB 4.01Å; I35-F53 HydrophobicContact CG2-CD1 3.88Å; I35-F53 HydrophobicContact CG2-CG 4.38Å; D36-F53 VanDerWaalsContact OD2-CD1 3.29Å; D36-F53 WeakPolarHBondContact OD2-CD1 3.3Å; V43-F53 HydrophobicContact CG2-CE1 4.35Å; L45-F53 HydrophobicContact CD1-CZ 4.29Å; H51-F53 HydrophobicContact CB-CE2 4.13Å; H51-F53 HydrophobicContact CB-CZ 4.42Å; H51-F53 AromaticContact CD2-CD1 3.82Å; H51-F53 AromaticContact CD2-CD2 3.88Å; H51-F53 AromaticContact CD2-CE1 3.56Å; H51-F53 AromaticContact CD2-CE2 3.64Å; H51-F53 AromaticContact CD2-CG 3.98Å; H51-F53 AromaticContact CD2-CZ 3.48Å; H51-F53 VanDerWaalsContact CD2-CZ 3.48Å; H51-F53 WeakPolarHBondContact CD2-CZ 3.31Å; F53-W70 HydrophobicContact CB-CH2 3.75Å; F53-W70 HydrophobicContact CB-CZ3 4.13Å; F53-T107 CarbonylContact O-C 3.54Å; F53-T107 VanDerWaalsContact O-CA 3.28Å; F53-T107 WeakPolarHBondContact O-CA 3.49Å; F53-F108 PolarHBondContact N-O 2.89Å; F53-F108 PolarHBondContact O-N 3.47Å; F53-L110 HydrophobicContact CD2-CB 4.24Å; F53-L110 HydrophobicContact CE2-CB 3.93Å; F53-L110 HydrophobicContact CE2-CD2 4.06Å; F53-L119 HydrophobicContact CB-CD2 3.96Å; F53-L119 HydrophobicContact CD1-CD2 4.03Å; F53-L119 HydrophobicContact CD2-CD2 3.26Å; F53-L119 HydrophobicContact CE1-CD2 4.37Å; F53-L119 HydrophobicContact CE2-CD2 3.65Å; F53-L119 HydrophobicContact CG-CD2 3.47Å; F53-L119 VanDerWaalsContact CG-CD2 3.47Å; F53-L119 HydrophobicContact CZ-CD2 4.19Å; F53-V136 HydrophobicContact CE1-CG1 4.03Å; F53-L138 HydrophobicContact CE2-CD2 4.44Å; F53-L138 HydrophobicContact CZ-CD2 3.76Å |
| 54 | N | 92.1 | Very high | 84.5 | Confident | 37 Ų | 37 | 68.7 Ų | 68.7 | 20% | 0.198 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 115.5 | 176.4 | 179.9 | 6.1 | 0 | 0 | 0 | 110.3 | I35 D36 Q56 N105 T107 | I35-N54 CarbonylContact C-O 3.55Å; I35-N54 WeakPolarHBondContact CA-O 3.49Å; D36-N54 PolarHBondContact N-O 2.92Å; D36-N54 WeakPolarHBondContact OD1-CB 3.45Å; D36-N54 PolarHBondContact OD1-N 2.96Å; N54-Q56 PolarHBondContact ND2-NE2 2.99Å; N54-N105 PolarHBondContact OD1-ND2 3.32Å; N54-N105 PolarHBondContact OD1-OD1 3.45Å; N54-T107 HydrophobicContact CB-CG2 4.18Å |
| 55 | C | 90.3 | Very high | 83.7 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 124.8 | 176.8 | -178.6 | 0 | 0 | 0 | 0 | 110.5 | K34 I35 W70 N105 S106 C121 | K34-C55 CarbonylContact O-C 3.55Å; K34-C55 WeakPolarHBondContact O-CA 3.3Å; I35-C55 HydrophobicContact CG1-CB 4.32Å; C55-W70 HydrophobicContact CB-CH2 3.55Å; C55-W70 HydrophobicContact CB-CZ2 3.37Å; C55-W70 HydrophobicContact CB-CZ3 4.44Å; C55-N105 VanDerWaalsContact O-CA 3.29Å; C55-N105 WeakPolarHBondContact O-CA 3.34Å; C55-S106 PolarHBondContact N-O 3.37Å; C55-S106 PolarHBondContact O-N 2.96Å; C55-C121 HydrophobicContact CB-CB 3.69Å; C55-C121 WeakPolarHBondContact CB-SG 3.48Å; C55-C121 WeakPolarHBondContact SG-CB 3.28Å; C55-C121 CovalentContact SG-SG 2.03Å; C55-C121 PolarHBondContact SG-SG 3.39Å |
| 56 | Q | 88.2 | Confident | 83.2 | Confident | 69 Ų | 69 | 66.7 Ų | 66.7 | 32% | 0.322 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 133.4 | -175.4 | -60.5 | 176.8 | 24.2 | 0 | 0 | 110.6 | K34 N54 | K34-Q56 PolarHBondContact N-O 3.17Å; K34-Q56 PolarHBondContact O-N 3.31Å; N54-Q56 PolarHBondContact ND2-NE2 2.99Å |
| 57 | S | 82.6 | Confident | 82.9 | Confident | 12 Ų | 12 | 65.7 Ų | 65.7 | 8% | 0.084 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 106.2 | 173.7 | 66.1 | 0 | 0 | 0 | 0 | 110.7 | H104 | S57-H104 PolarHBondContact N-O 3.49Å; S57-H104 PolarHBondContact OG-O 3.29Å |
| 58 | D | 72.9 | Confident | 82.7 | Confident | 90 Ų | 90 | 63.4 Ų | 63.4 | 48% | 0.481 | 32% | 0.317 | S | S | . | . | trans | -80.1 | -24.3 | -173 | -66.8 | -19.6 | 0 | 0 | 0 | 114.3 | K34 | K34-D58 WeakPolarHBondContact CE-OD2 3.47Å; K34-D58 IonicContact NZ-OD2 3.91Å; K34-D58 PolarHBondContact NZ-OD2 3.09Å | ||
| 59 | V | 67.1 | Low | 82.6 | Confident | 72 Ų | 72 | 59.7 Ų | 59.7 | 44% | 0.436 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -136.6 | 110.9 | -172.3 | -177.8 | 0 | 0 | 0 | 0 | 109.8 | P31 | P31-V59 HydrophobicContact CB-CB 4.25Å; P31-V59 WeakPolarHBondContact CB-O 3.31Å |
| 60 | W | 69.1 | Low | 82.6 | Confident | 39 Ų | 39 | 56.3 Ų | 56.3 | 15% | 0.148 | 28% | 0.281 | C | S | . | . | trans | -156.6 | 156.7 | 177.5 | -147.5 | -94 | 0 | 0 | 0 | 112.3 | P31 P62 A64 P66 A123 N125 Y132 | P31-W60 HydrophobicContact CB-CE3 4.17Å; P31-W60 HydrophobicContact CB-CZ3 4.29Å; P31-W60 HydrophobicContact CG-CZ3 4.27Å; W60-P62 VanDerWaalsContact O-CD 3.23Å; W60-P62 WeakPolarHBondContact O-CD 3.36Å; W60-A64 PolarHBondContact NE1-O 3.33Å; W60-P66 HydrophobicContact CD2-CB 3.97Å; W60-P66 HydrophobicContact CD2-CG 4.17Å; W60-P66 HydrophobicContact CE3-CB 4.48Å; W60-P66 HydrophobicContact CG-CB 4.36Å; W60-P66 HydrophobicContact CG-CG 4.14Å; W60-P66 HydrophobicContact CH2-CB 4.32Å; W60-P66 HydrophobicContact CZ2-CB 3.79Å; W60-A123 HydrophobicContact CH2-CB 4Å; W60-A123 HydrophobicContact CZ3-CB 4.07Å; W60-N125 HydrophobicContact CZ2-CB 3.68Å; W60-Y132 AromaticContact CH2-CD2 3.67Å; W60-Y132 HydrophobicContact CH2-CD2 3.67Å; W60-Y132 HydrophobicContact CH2-CE2 4.1Å; W60-Y132 AromaticContact CZ3-CD2 3.58Å; W60-Y132 HydrophobicContact CZ3-CD2 3.58Å; W60-Y132 HydrophobicContact CZ3-CE2 4.05Å | ||
| 61 | D | 69.1 | Low | 82.7 | Confident | 36 Ų | 36 | 55.4 Ų | 55.4 | 19% | 0.193 | 27% | 0.268 | C | S | . | . | trans | -64.9 | 116.4 | 175.9 | -176.9 | -3.3 | 0 | 0 | 0 | 109.5 | R63 A64 R127 | D61-R63 PolarHBondContact O-N 3.2Å; D61-R63 WeakPolarHBondContact OD1-CB 3.37Å; D61-R63 IonicContact OD1-CZ 3.91Å; D61-R63 PolarHBondContact OD1-N 2.95Å; D61-R63 VanDerWaalsContact OD1-N 3.07Å; D61-R63 IonicContact OD1-NE 3.17Å; D61-R63 PolarHBondContact OD1-NE 2.6Å; D61-R63 VanDerWaalsContact OD1-NE 3.17Å; D61-R63 IonicContact OD1-NH2 3.72Å; D61-R63 IonicContact OD2-NE 3.93Å; D61-R63 IonicContact OD2-NH2 3.88Å; D61-A64 CarbonylContact O-C 3.58Å; D61-A64 PolarHBondContact O-N 2.97Å; D61-R127 IonicContact OD2-CZ 2.67Å; D61-R127 IonicContact OD2-NH1 3.54Å; D61-R127 PolarHBondContact OD2-NH1 3.31Å; D61-R127 IonicContact OD2-NH2 2.66Å; D61-R127 PolarHBondContact OD2-NH2 3.38Å | ||
| 62 | P | 68.4 | Low | 82.7 | Confident | 112 Ų | 112 | 53.5 Ų | 53.5 | 73% | 0.727 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -18.7 | -179 | -24.5 | 35.4 | 0 | 0 | 0 | 113.7 | W60 | W60-P62 VanDerWaalsContact O-CD 3.23Å; W60-P62 WeakPolarHBondContact O-CD 3.36Å |
| 63 | R | 71.6 | Confident | 82.6 | Confident | 207 Ų | 207 | 48.7 Ų | 48.7 | 78% | 0.781 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -6 | 178.2 | -60.7 | 170.5 | -67.3 | -167.2 | -0.2 | 113.6 | D61 | D61-R63 PolarHBondContact O-N 3.2Å; D61-R63 WeakPolarHBondContact OD1-CB 3.37Å; D61-R63 IonicContact OD1-CZ 3.91Å; D61-R63 PolarHBondContact OD1-N 2.95Å; D61-R63 VanDerWaalsContact OD1-N 3.07Å; D61-R63 IonicContact OD1-NE 3.17Å; D61-R63 PolarHBondContact OD1-NE 2.6Å; D61-R63 VanDerWaalsContact OD1-NE 3.17Å; D61-R63 IonicContact OD1-NH2 3.72Å; D61-R63 IonicContact OD2-NE 3.93Å; D61-R63 IonicContact OD2-NH2 3.88Å |
| 64 | A | 71.9 | Confident | 82.5 | Confident | 8 Ų | 8 | 51.4 Ų | 51.4 | 7% | 0.066 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -147.8 | 68.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | W60 D61 | W60-A64 PolarHBondContact NE1-O 3.33Å; D61-A64 CarbonylContact O-C 3.58Å; D61-A64 PolarHBondContact O-N 2.97Å |
| 65 | P | 75.7 | Confident | 82.5 | Confident | 35 Ų | 35 | 56.6 Ų | 56.6 | 23% | 0.227 | 30% | 0.298 | C | S | . | . | trans | -55.6 | 148.7 | -176.3 | 23.9 | -34.6 | 0 | 0 | 0 | 112.1 | T102 P126 | P65-T102 HydrophobicContact CG-CG2 3.85Å; P65-P126 WeakPolarHBondContact O-CD 3.49Å | ||
| 66 | P | 83.4 | Confident | 82.6 | Confident | 5 Ų | 5 | 62.6 Ų | 62.6 | 3% | 0.032 | 33% | 0.326 | C | S | . | . | trans | -70.3 | 141.2 | -177.6 | 27.4 | -29.7 | 0 | 0 | 0 | 110.8 | W60 L68 A123 S124 | W60-P66 HydrophobicContact CD2-CB 3.97Å; W60-P66 HydrophobicContact CD2-CG 4.17Å; W60-P66 HydrophobicContact CE3-CB 4.48Å; W60-P66 HydrophobicContact CG-CB 4.36Å; W60-P66 HydrophobicContact CG-CG 4.14Å; W60-P66 HydrophobicContact CH2-CB 4.32Å; W60-P66 HydrophobicContact CZ2-CB 3.79Å; P66-L68 HydrophobicContact CB-CD2 4.39Å; P66-L68 HydrophobicContact CG-CD2 4.41Å; P66-L68 PolarHBondContact O-N 3.08Å; P66-A123 HydrophobicContact CB-CB 3.97Å; P66-S124 WeakPolarHBondContact CA-O 3.46Å | ||
| 67 | L | 86.1 | Confident | 82.8 | Confident | 85 Ų | 85 | 61.7 Ų | 61.7 | 45% | 0.445 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 109.7 | 159.3 | 176.2 | 66.4 | 0 | 0 | 0 | 107.7 | P100 S124 | L67-P100 HydrophobicContact CD1-CB 4.24Å; L67-S124 PolarHBondContact N-O 2.99Å; L67-S124 PolarHBondContact O-N 2.89Å; L67-S124 PolarHBondContact O-OG 3.44Å; L67-S124 VanDerWaalsContact O-OG 3.05Å |
| 68 | L | 88.6 | Confident | 82.7 | Confident | 22 Ų | 22 | 70.6 Ų | 70.6 | 12% | 0.115 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 138.3 | 173.1 | -61.3 | -179.2 | 0 | 0 | 0 | 109.8 | L33 P66 N103 V122 A123 | L33-L68 HydrophobicContact CD1-CD2 4.14Å; P66-L68 HydrophobicContact CB-CD2 4.39Å; P66-L68 HydrophobicContact CG-CD2 4.41Å; P66-L68 PolarHBondContact O-N 3.08Å; L68-N103 WeakPolarHBondContact CD1-O 3.22Å; L68-V122 CarbonylContact C-O 3.52Å; L68-V122 WeakPolarHBondContact CA-O 3.36Å; L68-A123 HydrophobicContact CD2-CB 3.66Å |
| 69 | T | 90.4 | Very high | 82.3 | Confident | 18 Ų | 18 | 72.3 Ų | 72.3 | 11% | 0.11 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 135.9 | 178.5 | -64.9 | 0 | 0 | 0 | 0 | 110.3 | Y71 Q76 V122 | T69-Y71 HydrophobicContact CG2-CD2 4.15Å; T69-Y71 HydrophobicContact CG2-CE2 3.45Å; T69-Y71 VanDerWaalsContact CG2-CE2 3.45Å; T69-Q76 HydrophobicContact CG2-CG 3.6Å; T69-Q76 VanDerWaalsContact CG2-NE2 3.32Å; T69-V122 PolarHBondContact N-O 2.95Å; T69-V122 PolarHBondContact O-N 2.89Å |
| 70 | W | 93.6 | Very high | 81.6 | Confident | 10 Ų | 10 | 73.8 Ų | 73.8 | 4% | 0.038 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 140.3 | 179.6 | -67.4 | 95.4 | 0 | 0 | 0 | 111.4 | I35 F53 C55 Q77 S106 F108 L119 V120 C121 | I35-W70 HydrophobicContact CD1-CZ3 3.96Å; I35-W70 HydrophobicContact CG1-CH2 4.24Å; I35-W70 HydrophobicContact CG1-CZ3 4.18Å; I35-W70 HydrophobicContact CG2-CH2 4.36Å; F53-W70 HydrophobicContact CB-CH2 3.75Å; F53-W70 HydrophobicContact CB-CZ3 4.13Å; C55-W70 HydrophobicContact CB-CH2 3.55Å; C55-W70 HydrophobicContact CB-CZ2 3.37Å; C55-W70 HydrophobicContact CB-CZ3 4.44Å; W70-Q77 HydrophobicContact CB-CB 4.11Å; W70-Q77 HydrophobicContact CB-CG 4.47Å; W70-Q77 PolarHBondContact O-N 3.03Å; W70-S106 WeakPolarHBondContact CZ2-O 3.39Å; W70-S106 PolarHBondContact NE1-OG 3.26Å; W70-F108 HydrophobicContact CB-CD2 4.44Å; W70-F108 HydrophobicContact CB-CG 4.45Å; W70-F108 HydrophobicContact CD2-CB 3.54Å; W70-F108 HydrophobicContact CD2-CG 4.1Å; W70-F108 VanDerWaalsContact CE2-CB 3.43Å; W70-F108 HydrophobicContact CE3-CB 4.03Å; W70-F108 HydrophobicContact CE3-CD1 4.49Å; W70-F108 HydrophobicContact CE3-CG 4.45Å; W70-F108 HydrophobicContact CG-CB 3.87Å; W70-F108 HydrophobicContact CG-CD2 4.35Å; W70-F108 HydrophobicContact CG-CG 4.11Å; W70-F108 HydrophobicContact CH2-CB 4.2Å; W70-F108 HydrophobicContact CZ2-CB 3.76Å; W70-F108 HydrophobicContact CZ3-CB 4.33Å; W70-L119 HydrophobicContact CE3-CD1 3.9Å; W70-L119 HydrophobicContact CE3-CD2 4Å; W70-L119 HydrophobicContact CE3-CG 3.87Å; W70-L119 HydrophobicContact CZ3-CD1 4.38Å; W70-L119 HydrophobicContact CZ3-CD2 3.64Å; W70-L119 HydrophobicContact CZ3-CG 3.89Å; W70-V120 CarbonylContact C-O 3.39Å; W70-V120 WeakPolarHBondContact CA-O 3.21Å; W70-C121 HydrophobicContact CD2-CB 4.42Å; W70-C121 HydrophobicContact CE3-CB 4.01Å; W70-C121 HydrophobicContact CH2-CB 4.31Å; W70-C121 HydrophobicContact CZ3-CB 3.95Å |
| 71 | Y | 94.6 | Very high | 80.4 | Confident | 69 Ų | 69 | 75.6 Ų | 75.6 | 27% | 0.271 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 131.5 | 173.8 | -63.6 | -100 | 0 | 0 | 0 | 109.4 | T69 E75 Q76 L119 V120 V122 | T69-Y71 HydrophobicContact CG2-CD2 4.15Å; T69-Y71 HydrophobicContact CG2-CE2 3.45Å; T69-Y71 VanDerWaalsContact CG2-CE2 3.45Å; Y71-E75 CarbonylContact C-O 3.53Å; Y71-E75 VanDerWaalsContact CA-O 3.29Å; Y71-E75 WeakPolarHBondContact CA-O 3.34Å; Y71-Q76 HydrophobicContact CD1-CB 3.92Å; Y71-Q76 HydrophobicContact CD1-CG 4.49Å; Y71-Q76 HydrophobicContact CE1-CB 3.64Å; Y71-Q76 HydrophobicContact CE1-CG 4.03Å; Y71-L119 WeakPolarHBondContact O-CA 3.4Å; Y71-V120 PolarHBondContact N-O 3.08Å; Y71-V120 PolarHBondContact O-N 3.19Å; Y71-V122 HydrophobicContact CD2-CB 4.46Å; Y71-V122 HydrophobicContact CD2-CG2 3.77Å; Y71-V122 HydrophobicContact CE2-CB 4.07Å; Y71-V122 HydrophobicContact CE2-CG2 3.7Å |
| 72 | L | 94.4 | Very high | 79.2 | Confident | 21 Ų | 21 | 79.5 Ų | 79.5 | 11% | 0.11 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 120.8 | 173.9 | -178.9 | 70.8 | 0 | 0 | 0 | 107.7 | G74 E75 Q77 L110 D116 L119 L138 | L72-G74 PolarHBondContact O-N 3.43Å; L72-G74 VanDerWaalsContact O-N 3.1Å; L72-E75 PolarHBondContact N-O 2.89Å; L72-E75 PolarHBondContact O-N 3.41Å; L72-Q77 HydrophobicContact CB-CG 3.98Å; L72-L110 HydrophobicContact CD1-CD1 3.91Å; L72-L110 HydrophobicContact CD1-CD2 3.98Å; L72-L110 HydrophobicContact CD2-CD1 3.67Å; L72-L110 HydrophobicContact CG-CD1 4.45Å; L72-D116 HydrophobicContact CD1-CB 4.26Å; L72-L119 HydrophobicContact CD1-CD1 4.25Å; L72-L138 HydrophobicContact CD1-CD1 3.89Å |
| 73 | N | 91.9 | Very high | 77.9 | Confident | 76 Ų | 76 | 80.5 Ų | 80.5 | 41% | 0.406 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 31.3 | -174.4 | -63.7 | -15 | 0 | 0 | 0 | 113.7 | W115 K117 E118 | N73-W115 PolarHBondContact ND2-O 3.2Å; N73-K117 PolarHBondContact OD1-N 2.97Å; N73-E118 PolarHBondContact N-O 3.25Å; N73-E118 PolarHBondContact OD1-N 2.97Å; N73-E118 VanDerWaalsContact OD1-N 3.14Å |
| 74 | G | 90.3 | Very high | 76.3 | Confident | 57 Ų | 57 | 82.2 Ų | 82.2 | 59% | 0.588 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.8 | -9.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | L72 | L72-G74 PolarHBondContact O-N 3.43Å; L72-G74 VanDerWaalsContact O-N 3.1Å |
| 75 | E | 93 | Very high | 74.7 | Confident | 145 Ų | 145 | 84.8 Ų | 84.8 | 68% | 0.678 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 124.5 | 175.9 | -65.7 | -169.3 | 166.3 | 0 | 0 | 111.9 | Y71 L72 Q77 | Y71-E75 CarbonylContact C-O 3.53Å; Y71-E75 VanDerWaalsContact CA-O 3.29Å; Y71-E75 WeakPolarHBondContact CA-O 3.34Å; L72-E75 PolarHBondContact N-O 2.89Å; L72-E75 PolarHBondContact O-N 3.41Å; E75-Q77 PolarHBondContact O-N 3.33Å; E75-Q77 PolarHBondContact O-NE2 3.02Å |
| 76 | Q | 92.4 | Very high | 72.7 | Confident | 126 Ų | 126 | 93.6 Ų | 93.6 | 59% | 0.589 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 122.5 | 178.5 | -170 | -179.1 | 1.1 | 0 | 0 | 111.4 | T69 Y71 | T69-Q76 HydrophobicContact CG2-CG 3.6Å; T69-Q76 VanDerWaalsContact CG2-NE2 3.32Å; Y71-Q76 HydrophobicContact CD1-CB 3.92Å; Y71-Q76 HydrophobicContact CD1-CG 4.49Å; Y71-Q76 HydrophobicContact CE1-CB 3.64Å; Y71-Q76 HydrophobicContact CE1-CG 4.03Å |
| 77 | Q | 91.3 | Very high | 70.4 | Confident | 51 Ų | 51 | 102 Ų | 102 | 24% | 0.238 | 53% | 0.526 | C | S | . | . | P | Polyproline II helix | trans | -85.2 | 131.6 | 178.2 | -57.6 | -56.8 | -64 | 0 | 0 | 110.2 | W70 L72 E75 E79 F108 | W70-Q77 HydrophobicContact CB-CB 4.11Å; W70-Q77 HydrophobicContact CB-CG 4.47Å; W70-Q77 PolarHBondContact O-N 3.03Å; L72-Q77 HydrophobicContact CB-CG 3.98Å; E75-Q77 PolarHBondContact O-N 3.33Å; E75-Q77 PolarHBondContact O-NE2 3.02Å; Q77-E79 PolarHBondContact O-N 3.34Å; Q77-F108 HydrophobicContact CB-CD2 4.49Å; Q77-F108 HydrophobicContact CB-CE2 3.74Å; Q77-F108 HydrophobicContact CB-CZ 4.04Å; Q77-F108 HydrophobicContact CG-CE1 4.44Å; Q77-F108 HydrophobicContact CG-CE2 3.95Å; Q77-F108 HydrophobicContact CG-CZ 3.7Å |
| 78 | K | 80 | Confident | 67.8 | Low | 198 Ų | 198 | 102.3 Ų | 102.3 | 86% | 0.861 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -78.4 | 121 | 173.8 | -66.5 | 179.6 | -178.2 | 176.7 | 0 | 108.6 | ||
| 79 | E | 64.8 | Low | 65.1 | Low | 127 Ų | 127 | 110.2 Ų | 110.2 | 59% | 0.593 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 130.2 | 175.2 | -167.1 | 168.5 | -132.4 | 0 | 0 | 109.4 | Q77 S81 S106 | Q77-E79 PolarHBondContact O-N 3.34Å; E79-S81 PolarHBondContact O-N 3.48Å; E79-S106 PolarHBondContact OE1-OG 2.94Å |
| 80 | P | 53.8 | Low | 62.1 | Low | 103 Ų | 103 | 115.2 Ų | 115.2 | 67% | 0.669 | 60% | 0.601 | S | S | * | * | trans | -65.6 | 108.3 | 177.3 | 25.7 | -32.5 | 0 | 0 | 0 | 108.7 | ||||
| 81 | S | 43.6 | Very low | 59.2 | Low | 77 Ų | 77 | 119.8 Ų | 119.8 | 54% | 0.538 | 64% | 0.635 | S | S | . | * | trans | -51.6 | 123.2 | -179.7 | 57.4 | 0 | 0 | 0 | 0 | 110.3 | E79 N83 | E79-S81 PolarHBondContact O-N 3.48Å; S81-N83 PolarHBondContact O-N 3.29Å | ||
| 82 | P | 44.4 | Very low | 56.6 | Low | 117 Ų | 117 | 125.3 Ų | 125.3 | 76% | 0.76 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -62.6 | -17.5 | -173.6 | 20.8 | -31.7 | 0 | 0 | 0 | 113.5 | ||
| 83 | N | 40.3 | Very low | 53.7 | Low | 134 Ų | 134 | 133 Ų | 133 | 72% | 0.717 | 70% | 0.695 | S | S | * | * | trans | -112.3 | 80.4 | 178.2 | -69.4 | -28.9 | 0 | 0 | 0 | 112.7 | S81 G85 | S81-N83 PolarHBondContact O-N 3.29Å; N83-G85 VanDerWaalsContact C-N 3.3Å | ||
| 84 | R | 37.5 | Very low | 50.7 | Low | 242 Ų | 242 | 135.7 Ų | 135.7 | 91% | 0.913 | 71% | 0.71 | S | S | * | * | trans | -100 | 27 | 148.5 | -126.1 | -177.8 | -166.1 | -157 | 4 | 112.2 | R86 | R84-R86 PolarHBondContact O-N 2.78Š| ||
| 85 | G | 38.9 | Very low | 48 | Very low | 62 Ų | 62 | 139 Ų | 139 | 64% | 0.639 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -66.7 | 111.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | N83 L87 | N83-G85 VanDerWaalsContact C-N 3.3Å; G85-L87 PolarHBondContact O-N 3.2Å |
| 86 | R | 34.3 | Very low | 45.1 | Very low | 221 Ų | 221 | 140.2 Ų | 140.2 | 83% | 0.834 | 73% | 0.73 | S | S | * | * | trans | -2.3 | 110.5 | 158 | -172.3 | -175.8 | -170.9 | -156.9 | 4.2 | 114.8 | R84 V88 | R84-R86 PolarHBondContact O-N 2.78Å; R86-V88 HydrophobicContact CG-CG2 4.22Å; R86-V88 PolarHBondContact O-N 3.3Å | ||
| 87 | L | 35.1 | Very low | 42.3 | Very low | 180 Ų | 180 | 140.4 Ų | 140.4 | 94% | 0.942 | 74% | 0.739 | S | S | * | * | trans | -58.4 | 97.1 | 167.9 | -73.7 | 165.7 | 0 | 0 | 0 | 110.1 | G85 | G85-L87 PolarHBondContact O-N 3.2Š| ||
| 88 | V | 31.3 | Very low | 39.7 | Very low | 93 Ų | 93 | 145.1 Ų | 145.1 | 56% | 0.564 | 77% | 0.765 | S | S | * | * | trans | -96.3 | 116 | 161 | 177.5 | 0 | 0 | 0 | 0 | 106.3 | R86 T90 | R86-V88 HydrophobicContact CG-CG2 4.22Å; R86-V88 PolarHBondContact O-N 3.3Å; V88-T90 HydrophobicContact CG1-CG2 4.5Å; V88-T90 PolarHBondContact O-N 3.39Å | ||
| 89 | M | 30.7 | Very low | 37.8 | Very low | 188 Ų | 188 | 145.4 Ų | 145.4 | 93% | 0.926 | 76% | 0.761 | S | S | * | * | trans | -73.1 | 95.7 | -179.1 | -173.4 | 80.3 | 86.1 | 0 | 0 | 110 | ||||
| 90 | T | 28.9 | Very low | 37 | Very low | 122 Ų | 122 | 144 Ų | 144 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | trans | -119.2 | 99.1 | 167.8 | 37.7 | 0 | 0 | 0 | 0 | 111.2 | V88 | V88-T90 HydrophobicContact CG1-CG2 4.5Å; V88-T90 PolarHBondContact O-N 3.39Å | ||
| 91 | S | 31 | Very low | 36.7 | Very low | 106 Ų | 106 | 141.4 Ų | 141.4 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | trans | 29.4 | 97.3 | 150.9 | -170 | 0 | 0 | 0 | 0 | 119.3 | K93 | S91-K93 PolarHBondContact O-N 3.09Š| ||
| 92 | Q | 40.3 | Very low | 37.2 | Very low | 185 Ų | 185 | 142.3 Ų | 142.3 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | trans | 38.5 | 83.8 | 130.5 | -165.9 | 175.6 | 6.9 | 0 | 0 | 118.4 | ||||
| 93 | K | 34.2 | Very low | 38 | Very low | 183 Ų | 183 | 141.5 Ų | 141.5 | 80% | 0.796 | 75% | 0.747 | S | S | * | * | -159.3 | 157.4 | 125.5 | -131.6 | 176.5 | 177.6 | 178.9 | 0 | 111.8 | S91 | S91-K93 PolarHBondContact O-N 3.09Š| |||
| 94 | D | 28.3 | Very low | 39.6 | Very low | 133 Ų | 133 | 139.5 Ų | 139.5 | 71% | 0.711 | 73% | 0.733 | S | S | * | * | trans | 56.1 | 88.6 | 169.2 | -53.9 | -27.8 | 0 | 0 | 0 | 116.5 | E96 | D94-E96 PolarHBondContact O-N 3.04Š| ||
| 95 | S | 33.4 | Very low | 41.8 | Very low | 127 Ų | 127 | 131.4 Ų | 131.4 | 89% | 0.888 | 71% | 0.708 | S | S | * | * | trans | -68.5 | 71 | 159.2 | -60.3 | 0 | 0 | 0 | 0 | 110.6 | V97 | S95-V97 PolarHBondContact O-N 3.47Å; S95-V97 VanDerWaalsContact O-N 3.07Å | ||
| 96 | E | 32.1 | Very low | 44.1 | Very low | 169 Ų | 169 | 128.9 Ų | 128.9 | 79% | 0.79 | 68% | 0.68 | S | S | * | * | trans | -63.7 | 108.8 | 159 | -80.3 | -158 | 124.8 | 0 | 0 | 108.4 | D94 L98 | D94-E96 PolarHBondContact O-N 3.04Å; E96-L98 PolarHBondContact O-N 3.37Å | ||
| 97 | V | 34.9 | Very low | 46.8 | Very low | 131 Ų | 131 | 121.6 Ų | 121.6 | 79% | 0.794 | 66% | 0.661 | S | S | * | * | trans | -54.8 | 115.5 | 165.9 | 175.7 | 0 | 0 | 0 | 0 | 106.9 | S95 R99 | S95-V97 PolarHBondContact O-N 3.47Å; S95-V97 VanDerWaalsContact O-N 3.07Å; V97-R99 VanDerWaalsContact C-N 3.33Å; V97-R99 PolarHBondContact O-N 3.44Å | ||
| 98 | L | 36 | Very low | 49.5 | Very low | 150 Ų | 150 | 114.1 Ų | 114.1 | 79% | 0.785 | 62% | 0.62 | S | S | * | * | trans | -56.9 | 93.8 | -178.4 | -174.2 | 74.8 | 0 | 0 | 0 | 109.7 | E96 | E96-L98 PolarHBondContact O-N 3.37Š| ||
| 99 | R | 39.8 | Very low | 52.4 | Low | 204 Ų | 204 | 113.2 Ų | 113.2 | 77% | 0.77 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 134.8 | 175.1 | -74.4 | -180 | 165.9 | 140.1 | -3.3 | 108 | V97 G101 | V97-R99 VanDerWaalsContact C-N 3.33Å; V97-R99 PolarHBondContact O-N 3.44Å; R99-G101 PolarHBondContact O-N 2.99Å |
| 100 | P | 47.7 | Very low | 55.4 | Low | 96 Ų | 96 | 104.6 Ų | 104.6 | 62% | 0.623 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 130.4 | 166 | -24.4 | 34.1 | 0 | 0 | 0 | 108.8 | L67 T102 | L67-P100 HydrophobicContact CD1-CB 4.24Å; P100-T102 PolarHBondContact O-N 3.45Å; P100-T102 VanDerWaalsContact O-N 3.15Å |
| 101 | G | 49.2 | Very low | 58.6 | Low | 50 Ų | 50 | 106.3 Ų | 106.3 | 52% | 0.515 | 57% | 0.569 | S | S | . | * | P | Polyproline II helix | trans | -57.7 | 120.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111 | R99 N103 | R99-G101 PolarHBondContact O-N 2.99Å; G101-N103 PolarHBondContact O-N 2.99Å |
| 102 | T | 53.8 | Low | 61.5 | Low | 95 Ų | 95 | 101.3 Ų | 101.3 | 58% | 0.583 | 53% | 0.534 | S | S | * | . | trans | -77 | 59.1 | 179.6 | 53.3 | 0 | 0 | 0 | 0 | 110.9 | P65 P100 | P65-T102 HydrophobicContact CG-CG2 3.85Å; P100-T102 PolarHBondContact O-N 3.45Å; P100-T102 VanDerWaalsContact O-N 3.15Å | ||
| 103 | N | 61 | Low | 64 | Low | 100 Ų | 100 | 101 Ų | 101 | 54% | 0.535 | 53% | 0.525 | S | S | . | . | trans | -104.7 | 126.1 | -173.7 | -62.8 | -24 | 0 | 0 | 0 | 110.2 | L68 G101 N105 | L68-N103 WeakPolarHBondContact CD1-O 3.22Å; G101-N103 PolarHBondContact O-N 2.99Å; N103-N105 WeakPolarHBondContact CB-O 3.49Å; N103-N105 PolarHBondContact O-N 3.4Å; N103-N105 VanDerWaalsContact O-N 3.07Å | ||
| 104 | H | 73.1 | Confident | 66.4 | Low | 92 Ų | 92 | 94.7 Ų | 94.7 | 43% | 0.426 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -69.6 | 3.7 | 169.7 | -59.4 | -74.9 | 0 | 0 | 0 | 113.6 | S57 | S57-H104 PolarHBondContact N-O 3.49Å; S57-H104 PolarHBondContact OG-O 3.29Å |
| 105 | N | 83.9 | Confident | 69.1 | Low | 72 Ų | 72 | 96.3 Ų | 96.3 | 39% | 0.385 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 130.3 | -179.4 | 170.8 | -33.7 | 0 | 0 | 0 | 107.9 | N54 C55 N103 | N54-N105 PolarHBondContact OD1-ND2 3.32Å; N54-N105 PolarHBondContact OD1-OD1 3.45Å; C55-N105 VanDerWaalsContact O-CA 3.29Å; C55-N105 WeakPolarHBondContact O-CA 3.34Å; N103-N105 WeakPolarHBondContact CB-O 3.49Å; N103-N105 PolarHBondContact O-N 3.4Å; N103-N105 VanDerWaalsContact O-N 3.07Å |
| 106 | S | 87.6 | Confident | 71.8 | Confident | 9 Ų | 9 | 90.9 Ų | 90.9 | 6% | 0.063 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 146.4 | 164.6 | 178 | 0 | 0 | 0 | 0 | 108.9 | C55 W70 E79 | C55-S106 PolarHBondContact N-O 3.37Å; C55-S106 PolarHBondContact O-N 2.96Å; W70-S106 WeakPolarHBondContact CZ2-O 3.39Å; W70-S106 PolarHBondContact NE1-OG 3.26Å; E79-S106 PolarHBondContact OE1-OG 2.94Å |
| 107 | T | 90.6 | Very high | 74.5 | Confident | 69 Ų | 69 | 89.4 Ų | 89.4 | 42% | 0.423 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 138.8 | 177.2 | 61.3 | 0 | 0 | 0 | 0 | 110.8 | F53 N54 | F53-T107 CarbonylContact O-C 3.54Å; F53-T107 VanDerWaalsContact O-CA 3.28Å; F53-T107 WeakPolarHBondContact O-CA 3.49Å; N54-T107 HydrophobicContact CB-CG2 4.18Å |
| 108 | F | 91.3 | Very high | 77.3 | Confident | 22 Ų | 22 | 86.8 Ų | 86.8 | 10% | 0.096 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 124.5 | -179.1 | -178.9 | -107.5 | 0 | 0 | 0 | 111 | R52 F53 W70 Q77 L110 L119 | R52-F108 WeakPolarHBondContact CA-O 3.48Å; F53-F108 PolarHBondContact N-O 2.89Å; F53-F108 PolarHBondContact O-N 3.47Å; W70-F108 HydrophobicContact CB-CD2 4.44Å; W70-F108 HydrophobicContact CB-CG 4.45Å; W70-F108 HydrophobicContact CD2-CB 3.54Å; W70-F108 HydrophobicContact CD2-CG 4.1Å; W70-F108 VanDerWaalsContact CE2-CB 3.43Å; W70-F108 HydrophobicContact CE3-CB 4.03Å; W70-F108 HydrophobicContact CE3-CD1 4.49Å; W70-F108 HydrophobicContact CE3-CG 4.45Å; W70-F108 HydrophobicContact CG-CB 3.87Å; W70-F108 HydrophobicContact CG-CD2 4.35Å; W70-F108 HydrophobicContact CG-CG 4.11Å; W70-F108 HydrophobicContact CH2-CB 4.2Å; W70-F108 HydrophobicContact CZ2-CB 3.76Å; W70-F108 HydrophobicContact CZ3-CB 4.33Å; Q77-F108 HydrophobicContact CB-CD2 4.49Å; Q77-F108 HydrophobicContact CB-CE2 3.74Å; Q77-F108 HydrophobicContact CB-CZ 4.04Å; Q77-F108 HydrophobicContact CG-CE1 4.44Å; Q77-F108 HydrophobicContact CG-CE2 3.95Å; Q77-F108 HydrophobicContact CG-CZ 3.7Å; F108-L110 HydrophobicContact CD1-CB 4.21Å; F108-L110 HydrophobicContact CE1-CB 3.85Å; F108-L110 HydrophobicContact CE1-CD1 4.12Å; F108-L119 HydrophobicContact CD1-CD1 3.73Å; F108-L119 HydrophobicContact CD1-CD2 4.14Å; F108-L119 HydrophobicContact CE1-CD1 3.73Å |
| 109 | S | 93.2 | Very high | 80.1 | Confident | 75 Ų | 75 | 79.7 Ų | 79.7 | 52% | 0.524 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 99.9 | 178.1 | -64 | 0 | 0 | 0 | 0 | 110 | H51 | H51-S109 CarbonylContact O-C 3.35Å; H51-S109 WeakPolarHBondContact O-CA 3.45Å |
| 110 | L | 94.1 | Very high | 82.7 | Confident | 7 Ų | 7 | 70.8 Ų | 70.8 | 4% | 0.037 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 126.4 | 176 | 179 | 61.7 | 0 | 0 | 0 | 110.4 | T50 H51 F53 L72 F108 L138 | T50-L110 CarbonylContact C-O 3.55Å; T50-L110 VanDerWaalsContact CA-O 3.29Å; T50-L110 WeakPolarHBondContact CA-O 3.23Å; H51-L110 PolarHBondContact N-O 2.98Å; H51-L110 PolarHBondContact O-N 3.08Å; F53-L110 HydrophobicContact CD2-CB 4.24Å; F53-L110 HydrophobicContact CE2-CB 3.93Å; F53-L110 HydrophobicContact CE2-CD2 4.06Å; L72-L110 HydrophobicContact CD1-CD1 3.91Å; L72-L110 HydrophobicContact CD1-CD2 3.98Å; L72-L110 HydrophobicContact CD2-CD1 3.67Å; L72-L110 HydrophobicContact CG-CD1 4.45Å; F108-L110 HydrophobicContact CD1-CB 4.21Å; F108-L110 HydrophobicContact CE1-CB 3.85Å; F108-L110 HydrophobicContact CE1-CD1 4.12Å; L110-L138 HydrophobicContact CD2-CD1 3.47Å; L110-L138 VanDerWaalsContact CD2-CD1 3.47Å; L110-L138 HydrophobicContact CD2-CD2 4.28Å |
| 111 | R | 94.8 | Very high | 84.9 | Confident | 157 Ų | 157 | 66.2 Ų | 66.2 | 59% | 0.592 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 104.7 | 165.3 | -178.1 | 178.4 | 177.9 | -169.5 | -1.1 | 108.7 | N48 | N48-R111 PolarHBondContact OD1-NE 2.97Å; N48-R111 PolarHBondContact OD1-NH2 2.93Å |
| 112 | A | 92.8 | Very high | 86.9 | Confident | 2 Ų | 2 | 65.2 Ų | 65.2 | 2% | 0.017 | 31% | 0.31 | C | S | . | . | trans | -63.5 | 135.5 | -167.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L45 N48 M49 D116 V140 | L45-A112 HydrophobicContact CB-CB 4.04Å; L45-A112 HydrophobicContact CD1-CB 4.02Å; N48-A112 PolarHBondContact N-O 3.46Å; M49-A112 PolarHBondContact O-N 3.46Å; A112-D116 WeakPolarHBondContact CA-OD2 3.38Å; A112-V140 HydrophobicContact CB-CG1 4.08Å; A112-V140 HydrophobicContact CB-CG2 4.09Å | ||
| 113 | R | 91.4 | Very high | 88.6 | Confident | 179 Ų | 179 | 60.7 Ų | 60.7 | 68% | 0.675 | 28% | 0.282 | S | S | * | . | trans | -120.6 | 154.7 | 176.1 | -53 | 179.6 | 178.3 | -167.8 | 0.2 | 110 | W115 D116 V140 | R113-W115 PolarHBondContact O-N 3.25Å; R113-D116 PolarHBondContact N-OD2 3.35Å; R113-D116 PolarHBondContact O-N 3.06Å; R113-V140 WeakPolarHBondContact O-CG1 3.41Å; R113-V140 WeakPolarHBondContact O-CG2 3.34Å | ||
| 114 | K | 85.4 | Confident | 89.9 | Confident | 50 Ų | 50 | 57.5 Ų | 57.5 | 22% | 0.217 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -10.8 | -177.7 | -52.3 | -176.8 | 174 | 172.6 | 0 | 116.6 | E47 F142 E145 | E47-K114 VanDerWaalsContact CD-CE 3.42Å; E47-K114 VanDerWaalsContact CD-CG 3.42Å; E47-K114 HydrophobicContact CG-CG 4.36Å; E47-K114 VanDerWaalsContact OE1-CE 3.22Å; E47-K114 WeakPolarHBondContact OE1-CE 3.33Å; E47-K114 WeakPolarHBondContact OE1-CG 3.27Å; E47-K114 WeakPolarHBondContact OE2-CE 3.42Å; K114-F142 HydrophobicContact CB-CD1 3.9Å; K114-F142 HydrophobicContact CB-CE1 4.03Å; K114-F142 HydrophobicContact CB-CG 4.3Å; K114-F142 HydrophobicContact CD-CB 4.36Å; K114-F142 HydrophobicContact CD-CD1 4.39Å; K114-F142 HydrophobicContact CD-CD2 3.83Å; K114-F142 HydrophobicContact CD-CE2 4.23Å; K114-F142 HydrophobicContact CD-CG 3.96Å; K114-F142 HydrophobicContact CG-CB 4.06Å; K114-F142 HydrophobicContact CG-CD1 3.91Å; K114-F142 HydrophobicContact CG-CD2 4.22Å; K114-F142 HydrophobicContact CG-CE1 4.43Å; K114-F142 HydrophobicContact CG-CG 3.81Å; K114-E145 IonicContact NZ-OE2 3.46Å; K114-E145 PolarHBondContact NZ-OE2 3.5Å |
| 115 | W | 84.4 | Confident | 90.5 | Very high | 166 Ų | 166 | 53.8 Ų | 53.8 | 63% | 0.629 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.5 | 5.2 | -173.4 | -58.9 | 128.3 | 0 | 0 | 0 | 113.6 | N73 R113 K117 R170 | N73-W115 PolarHBondContact ND2-O 3.2Å; R113-W115 PolarHBondContact O-N 3.25Å; W115-K117 PolarHBondContact O-N 3.4Å; W115-R170 VanDerWaalsContact CE3-NH2 3.32Å; W115-R170 VanDerWaalsContact CH2-NH2 3.29Å; W115-R170 VanDerWaalsContact CZ3-NH2 3.34Å |
| 116 | D | 89.9 | Confident | 90.4 | Very high | 13 Ų | 13 | 55.2 Ų | 55.2 | 7% | 0.07 | 27% | 0.265 | C | S | . | . | trans | -73.8 | 121.6 | 172.7 | -57.1 | -18.8 | 0 | 0 | 0 | 107.8 | L72 A112 R113 L138 V140 | L72-D116 HydrophobicContact CD1-CB 4.26Å; A112-D116 WeakPolarHBondContact CA-OD2 3.38Å; R113-D116 PolarHBondContact N-OD2 3.35Å; R113-D116 PolarHBondContact O-N 3.06Å; D116-L138 HydrophobicContact CB-CD1 3.78Å; D116-V140 HydrophobicContact CB-CG2 4.16Å | ||
| 117 | K | 90.3 | Very high | 90.1 | Very high | 139 Ų | 139 | 62.2 Ų | 62.2 | 60% | 0.604 | 29% | 0.29 | S | S | * | . | trans | -115.9 | -39.3 | -173.1 | -63.7 | -177.5 | -180 | -174.4 | 0 | 112.6 | N73 W115 L138 | N73-K117 PolarHBondContact OD1-N 2.97Å; W115-K117 PolarHBondContact O-N 3.4Å; K117-L138 PolarHBondContact O-N 2.98Å | ||
| 118 | E | 93.4 | Very high | 89.7 | Confident | 76 Ų | 76 | 62.3 Ų | 62.3 | 36% | 0.355 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 133.9 | -175.4 | -170.1 | 179.3 | -139.7 | 0 | 0 | 110.9 | N73 V120 V136 | N73-E118 PolarHBondContact N-O 3.25Å; N73-E118 PolarHBondContact OD1-N 2.97Å; N73-E118 VanDerWaalsContact OD1-N 3.14Å; E118-V120 HydrophobicContact CG-CG2 3.75Å; E118-V136 WeakPolarHBondContact CA-O 3.34Å |
| 119 | L | 95 | Very high | 89.2 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 125.9 | 166.7 | -177.8 | 70.9 | 0 | 0 | 0 | 108.6 | F53 W70 Y71 L72 F108 V136 L138 | F53-L119 HydrophobicContact CB-CD2 3.96Å; F53-L119 HydrophobicContact CD1-CD2 4.03Å; F53-L119 HydrophobicContact CD2-CD2 3.26Å; F53-L119 HydrophobicContact CE1-CD2 4.37Å; F53-L119 HydrophobicContact CE2-CD2 3.65Å; F53-L119 HydrophobicContact CG-CD2 3.47Å; F53-L119 VanDerWaalsContact CG-CD2 3.47Å; F53-L119 HydrophobicContact CZ-CD2 4.19Å; W70-L119 HydrophobicContact CE3-CD1 3.9Å; W70-L119 HydrophobicContact CE3-CD2 4Å; W70-L119 HydrophobicContact CE3-CG 3.87Å; W70-L119 HydrophobicContact CZ3-CD1 4.38Å; W70-L119 HydrophobicContact CZ3-CD2 3.64Å; W70-L119 HydrophobicContact CZ3-CG 3.89Å; Y71-L119 WeakPolarHBondContact O-CA 3.4Å; L72-L119 HydrophobicContact CD1-CD1 4.25Å; F108-L119 HydrophobicContact CD1-CD1 3.73Å; F108-L119 HydrophobicContact CD1-CD2 4.14Å; F108-L119 HydrophobicContact CE1-CD1 3.73Å; L119-V136 HydrophobicContact CB-CB 4.5Å; L119-V136 PolarHBondContact N-O 3.1Å; L119-V136 PolarHBondContact O-N 2.89Å; L119-L138 HydrophobicContact CB-CD1 4.22Å |
| 120 | V | 94.8 | Very high | 88.7 | Confident | 17 Ų | 17 | 66.1 Ų | 66.1 | 10% | 0.103 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 130.2 | 179.5 | -173.7 | 0 | 0 | 0 | 0 | 109.4 | W70 Y71 E118 V122 N133 A134 T135 | W70-V120 CarbonylContact C-O 3.39Å; W70-V120 WeakPolarHBondContact CA-O 3.21Å; Y71-V120 PolarHBondContact N-O 3.08Å; Y71-V120 PolarHBondContact O-N 3.19Å; E118-V120 HydrophobicContact CG-CG2 3.75Å; V120-V122 HydrophobicContact CG1-CG2 3.92Å; V120-N133 HydrophobicContact CG1-CB 4Å; V120-A134 WeakPolarHBondContact CA-O 3.49Å; V120-T135 HydrophobicContact CG1-CG2 4.12Å; V120-T135 HydrophobicContact CG2-CG2 3.96Å |
| 121 | C | 92.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 132 | 163.2 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | L33 I35 C55 W70 N133 A134 | L33-C121 HydrophobicContact CD2-CB 4.41Å; L33-C121 VanDerWaalsContact CD2-O 3.31Å; L33-C121 WeakPolarHBondContact CD2-O 3.37Å; I35-C121 HydrophobicContact CD1-CB 3.77Å; I35-C121 HydrophobicContact CG1-CB 3.87Å; C55-C121 HydrophobicContact CB-CB 3.69Å; C55-C121 WeakPolarHBondContact CB-SG 3.48Å; C55-C121 WeakPolarHBondContact SG-CB 3.28Å; C55-C121 CovalentContact SG-SG 2.03Å; C55-C121 PolarHBondContact SG-SG 3.39Å; W70-C121 HydrophobicContact CD2-CB 4.42Å; W70-C121 HydrophobicContact CE3-CB 4.01Å; W70-C121 HydrophobicContact CH2-CB 4.31Å; W70-C121 HydrophobicContact CZ3-CB 3.95Å; C121-N133 WeakPolarHBondContact O-CA 3.47Å; C121-A134 PolarHBondContact N-O 3.36Å; C121-A134 PolarHBondContact O-N 2.64Å |
| 122 | V | 91.6 | Very high | 88.1 | Confident | 29 Ų | 29 | 65.5 Ų | 65.5 | 18% | 0.176 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 125.3 | 175.8 | -178 | 0 | 0 | 0 | 0 | 108.7 | L68 T69 Y71 V120 Y132 N133 | L68-V122 CarbonylContact C-O 3.52Å; L68-V122 WeakPolarHBondContact CA-O 3.36Å; T69-V122 PolarHBondContact N-O 2.95Å; T69-V122 PolarHBondContact O-N 2.89Å; Y71-V122 HydrophobicContact CD2-CB 4.46Å; Y71-V122 HydrophobicContact CD2-CG2 3.77Å; Y71-V122 HydrophobicContact CE2-CB 4.07Å; Y71-V122 HydrophobicContact CE2-CG2 3.7Å; V120-V122 HydrophobicContact CG1-CG2 3.92Å; V122-Y132 WeakPolarHBondContact CA-O 3.29Å; V122-N133 HydrophobicContact CG2-CB 4.46Å |
| 123 | A | 89.9 | Confident | 88.1 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 122.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | L33 W60 P66 L68 S131 Y132 | L33-A123 HydrophobicContact CD1-CB 3.73Å; L33-A123 HydrophobicContact CD2-CB 3.77Å; L33-A123 HydrophobicContact CG-CB 4.35Å; W60-A123 HydrophobicContact CH2-CB 4Å; W60-A123 HydrophobicContact CZ3-CB 4.07Å; P66-A123 HydrophobicContact CB-CB 3.97Å; L68-A123 HydrophobicContact CD2-CB 3.66Å; A123-S131 CarbonylContact O-C 3.59Å; A123-S131 WeakPolarHBondContact O-CA 3.5Å; A123-S131 WeakPolarHBondContact O-CB 3.11Å; A123-Y132 PolarHBondContact N-O 2.92Å; A123-Y132 PolarHBondContact O-N 3.09Å |
| 124 | S | 87.9 | Confident | 88.1 | Confident | 34 Ų | 34 | 61.2 Ų | 61.2 | 24% | 0.238 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 138.4 | -178.2 | 59.5 | 0 | 0 | 0 | 0 | 112 | P66 L67 P126 | P66-S124 WeakPolarHBondContact CA-O 3.46Å; L67-S124 PolarHBondContact N-O 2.99Å; L67-S124 PolarHBondContact O-N 2.89Å; L67-S124 PolarHBondContact O-OG 3.44Å; L67-S124 VanDerWaalsContact O-OG 3.05Å; S124-P126 WeakPolarHBondContact O-CD 3.43Å |
| 125 | N | 84.9 | Confident | 88.5 | Confident | 14 Ų | 14 | 59.9 Ų | 59.9 | 8% | 0.075 | 31% | 0.313 | C | S | . | . | trans | -89.7 | 114.9 | -179.8 | -168.3 | -56.2 | 0 | 0 | 0 | 109.8 | W60 R127 T128 G129 Q130 | W60-N125 HydrophobicContact CZ2-CB 3.68Å; N125-R127 PolarHBondContact O-N 3.13Å; N125-R127 VanDerWaalsContact O-N 3.16Å; N125-R127 PolarHBondContact OD1-N 3.27Å; N125-T128 VanDerWaalsContact CB-OG1 3.24Å; N125-T128 WeakPolarHBondContact CB-OG1 3.4Å; N125-T128 PolarHBondContact OD1-N 3.19Å; N125-T128 PolarHBondContact OD1-OG1 3.49Å; N125-G129 WeakPolarHBondContact O-CA 3.43Å; N125-G129 PolarHBondContact O-N 3.31Å; N125-Q130 WeakPolarHBondContact CB-O 3.43Å; N125-Q130 PolarHBondContact N-O 3.31Å | ||
| 126 | P | 81.1 | Confident | 89 | Confident | 102 Ų | 102 | 52 Ų | 52 | 66% | 0.662 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -15.4 | -176 | 28 | -35.5 | 0 | 0 | 0 | 113.9 | P65 S124 | P65-P126 WeakPolarHBondContact O-CD 3.49Å; S124-P126 WeakPolarHBondContact O-CD 3.43Å |
| 127 | R | 82 | Confident | 89.1 | Confident | 156 Ų | 156 | 55.2 Ų | 55.2 | 59% | 0.589 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -37.8 | 179.4 | -173.2 | -177.6 | 66.5 | -156.8 | -8.7 | 113 | D61 N125 | D61-R127 IonicContact OD2-CZ 2.67Å; D61-R127 IonicContact OD2-NH1 3.54Å; D61-R127 PolarHBondContact OD2-NH1 3.31Å; D61-R127 IonicContact OD2-NH2 2.66Å; D61-R127 PolarHBondContact OD2-NH2 3.38Å; N125-R127 PolarHBondContact O-N 3.13Å; N125-R127 VanDerWaalsContact O-N 3.16Å; N125-R127 PolarHBondContact OD1-N 3.27Å |
| 128 | T | 82.2 | Confident | 89.2 | Confident | 71 Ų | 71 | 49.1 Ų | 49.1 | 44% | 0.436 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | -12.2 | -175.4 | 67 | 0 | 0 | 0 | 0 | 114 | N125 Q130 | N125-T128 VanDerWaalsContact CB-OG1 3.24Å; N125-T128 WeakPolarHBondContact CB-OG1 3.4Å; N125-T128 PolarHBondContact OD1-N 3.19Å; N125-T128 PolarHBondContact OD1-OG1 3.49Å; T128-Q130 PolarHBondContact O-N 3.22Å; T128-Q130 VanDerWaalsContact O-N 3.13Å; T128-Q130 PolarHBondContact OG1-N 3.34Å; T128-Q130 PolarHBondContact OG1-OE1 3.32Å |
| 129 | G | 80.4 | Confident | 89 | Confident | 65 Ų | 65 | 48.3 Ų | 48.3 | 67% | 0.67 | 28% | 0.275 | S | S | * | . | trans | 70.7 | -4.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | N125 | N125-G129 WeakPolarHBondContact O-CA 3.43Å; N125-G129 PolarHBondContact O-N 3.31Å | ||
| 130 | Q | 84.4 | Confident | 88.9 | Confident | 111 Ų | 111 | 48.6 Ų | 48.6 | 52% | 0.519 | 28% | 0.277 | S | S | . | . | trans | -65.2 | 139.4 | 176.6 | -69.8 | 175.7 | -33.7 | 0 | 0 | 110.8 | N125 T128 Y132 | N125-Q130 WeakPolarHBondContact CB-O 3.43Å; N125-Q130 PolarHBondContact N-O 3.31Å; T128-Q130 PolarHBondContact O-N 3.22Å; T128-Q130 VanDerWaalsContact O-N 3.13Å; T128-Q130 PolarHBondContact OG1-N 3.34Å; T128-Q130 PolarHBondContact OG1-OE1 3.32Å; Q130-Y132 HydrophobicContact CB-CE2 4.4Å | ||
| 131 | S | 87.3 | Confident | 88.7 | Confident | 74 Ų | 74 | 50 Ų | 50 | 52% | 0.517 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 150.7 | 175.5 | 59.5 | 0 | 0 | 0 | 0 | 112.1 | A123 | A123-S131 CarbonylContact O-C 3.59Å; A123-S131 WeakPolarHBondContact O-CA 3.5Å; A123-S131 WeakPolarHBondContact O-CB 3.11Å |
| 132 | Y | 88.5 | Confident | 88.5 | Confident | 77 Ų | 77 | 50.5 Ų | 50.5 | 30% | 0.302 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 148 | 176.4 | -59.5 | -94.3 | 0 | 0 | 0 | 108.5 | P31 L33 W60 V122 A123 Q130 | P31-Y132 HydrophobicContact CG-CD1 3.84Å; P31-Y132 HydrophobicContact CG-CD2 3.66Å; P31-Y132 HydrophobicContact CG-CE1 3.56Å; P31-Y132 HydrophobicContact CG-CE2 3.37Å; P31-Y132 HydrophobicContact CG-CG 3.89Å; L33-Y132 VanDerWaalsContact CD2-O 3.31Å; L33-Y132 WeakPolarHBondContact CD2-O 3.09Å; W60-Y132 AromaticContact CH2-CD2 3.67Å; W60-Y132 HydrophobicContact CH2-CD2 3.67Å; W60-Y132 HydrophobicContact CH2-CE2 4.1Å; W60-Y132 AromaticContact CZ3-CD2 3.58Å; W60-Y132 HydrophobicContact CZ3-CD2 3.58Å; W60-Y132 HydrophobicContact CZ3-CE2 4.05Å; V122-Y132 WeakPolarHBondContact CA-O 3.29Å; A123-Y132 PolarHBondContact N-O 2.92Å; A123-Y132 PolarHBondContact O-N 3.09Å; Q130-Y132 HydrophobicContact CB-CE2 4.4Å |
| 133 | N | 91.4 | Very high | 88.6 | Confident | 90 Ų | 90 | 54 Ų | 54 | 48% | 0.481 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 151.6 | -176.6 | 60.4 | -12.2 | 0 | 0 | 0 | 112.5 | V120 C121 V122 | V120-N133 HydrophobicContact CG1-CB 4Å; C121-N133 WeakPolarHBondContact O-CA 3.47Å; V122-N133 HydrophobicContact CG2-CB 4.46Å |
| 134 | A | 92.2 | Very high | 88.6 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.008 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 137.2 | 165.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | L33 I35 Q39 V120 C121 | L33-A134 HydrophobicContact CB-CB 4.22Å; L33-A134 HydrophobicContact CD2-CB 4.21Å; L33-A134 HydrophobicContact CG-CB 4Å; I35-A134 HydrophobicContact CD1-CB 4.03Å; I35-A134 VanDerWaalsContact CD1-O 3.29Å; I35-A134 WeakPolarHBondContact CD1-O 3.29Å; I35-A134 HydrophobicContact CG1-CB 3.9Å; Q39-A134 CarbonylContact O-C 3.55Å; Q39-A134 VanDerWaalsContact O-CA 3.3Å; Q39-A134 WeakPolarHBondContact O-CA 3.41Å; V120-A134 WeakPolarHBondContact CA-O 3.49Å; C121-A134 PolarHBondContact N-O 3.36Å; C121-A134 PolarHBondContact O-N 2.64Å |
| 135 | T | 93.6 | Very high | 88.6 | Confident | 22 Ų | 22 | 55.8 Ų | 55.8 | 14% | 0.135 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 142.8 | -171.5 | 65.9 | 0 | 0 | 0 | 0 | 111.9 | Q39 Q40 A41 V120 | Q39-T135 PolarHBondContact O-N 2.81Å; Q40-T135 WeakPolarHBondContact CA-O 3.48Å; A41-T135 PolarHBondContact N-O 3.17Å; A41-T135 VanDerWaalsContact N-O 3.11Å; V120-T135 HydrophobicContact CG1-CG2 4.12Å; V120-T135 HydrophobicContact CG2-CG2 3.96Å |
| 136 | V | 94.6 | Very high | 88.7 | Confident | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.012 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 116.6 | 171.1 | -176 | 0 | 0 | 0 | 0 | 109.1 | I35 A41 V43 F53 E118 L119 L138 | I35-V136 HydrophobicContact CB-CG2 3.83Å; I35-V136 HydrophobicContact CD1-CG2 3.8Å; I35-V136 HydrophobicContact CG1-CG2 4.44Å; I35-V136 HydrophobicContact CG2-CG2 3.62Å; A41-V136 HydrophobicContact CB-CG1 4.47Å; A41-V136 HydrophobicContact CB-CG2 4.35Å; A41-V136 CarbonylContact O-C 3.58Å; A41-V136 WeakPolarHBondContact O-CA 3.3Å; V43-V136 HydrophobicContact CB-CG1 4.05Å; V43-V136 HydrophobicContact CG2-CG1 3.67Å; F53-V136 HydrophobicContact CE1-CG1 4.03Å; E118-V136 WeakPolarHBondContact CA-O 3.34Å; L119-V136 HydrophobicContact CB-CB 4.5Å; L119-V136 PolarHBondContact N-O 3.1Å; L119-V136 PolarHBondContact O-N 2.89Å; V136-L138 HydrophobicContact CG1-CD2 4.14Å |
| 137 | T | 92.6 | Very high | 88.8 | Confident | 80 Ų | 80 | 56.2 Ų | 56.2 | 49% | 0.491 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 124.7 | 168.9 | -50.9 | 0 | 0 | 0 | 0 | 109.2 | A41 A42 V43 | A41-T137 PolarHBondContact O-N 3.36Å; A42-T137 WeakPolarHBondContact CA-O 3.45Å; V43-T137 PolarHBondContact N-O 3.44Å |
| 138 | L | 91.6 | Very high | 88.8 | Confident | 10 Ų | 10 | 56 Ų | 56 | 5% | 0.052 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 120.3 | -178.1 | -60 | 175.7 | 0 | 0 | 0 | 109.9 | L45 F53 L72 L110 D116 K117 L119 V136 V140 | L45-L138 HydrophobicContact CD1-CD2 4.18Å; F53-L138 HydrophobicContact CE2-CD2 4.44Å; F53-L138 HydrophobicContact CZ-CD2 3.76Å; L72-L138 HydrophobicContact CD1-CD1 3.89Å; L110-L138 HydrophobicContact CD2-CD1 3.47Å; L110-L138 VanDerWaalsContact CD2-CD1 3.47Å; L110-L138 HydrophobicContact CD2-CD2 4.28Å; D116-L138 HydrophobicContact CB-CD1 3.78Å; K117-L138 PolarHBondContact O-N 2.98Å; L119-L138 HydrophobicContact CB-CD1 4.22Å; V136-L138 HydrophobicContact CG1-CD2 4.14Å; L138-V140 HydrophobicContact CB-CG2 4.43Å |
| 139 | N | 90.6 | Very high | 88.8 | Confident | 59 Ų | 59 | 53.8 Ų | 53.8 | 32% | 0.316 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 88 | 171.6 | 177.4 | 29.8 | 0 | 0 | 0 | 109.2 | V43 T44 L45 Q141 N172 | V43-N139 PolarHBondContact O-N 3.42Å; T44-N139 WeakPolarHBondContact CA-O 3.23Å; T44-N139 PolarHBondContact OG1-ND2 3.19Å; T44-N139 VanDerWaalsContact OG1-ND2 3.16Å; L45-N139 PolarHBondContact N-O 3.27Å; N139-Q141 PolarHBondContact O-N 3.46Å; N139-N172 PolarHBondContact OD1-ND2 3.46Å |
| 140 | V | 91.8 | Very high | 88.7 | Confident | 6 Ų | 6 | 52.5 Ų | 52.5 | 4% | 0.036 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 114.3 | -178.2 | -172.8 | 0 | 0 | 0 | 0 | 111.2 | L45 E47 A112 R113 D116 L138 F142 N172 | L45-V140 CarbonylContact O-C 3.6Å; L45-V140 VanDerWaalsContact O-CA 3.31Å; L45-V140 WeakPolarHBondContact O-CA 3.39Å; E47-V140 HydrophobicContact CB-CG1 4.27Å; A112-V140 HydrophobicContact CB-CG1 4.08Å; A112-V140 HydrophobicContact CB-CG2 4.09Å; R113-V140 WeakPolarHBondContact O-CG1 3.41Å; R113-V140 WeakPolarHBondContact O-CG2 3.34Å; D116-V140 HydrophobicContact CB-CG2 4.16Å; L138-V140 HydrophobicContact CB-CG2 4.43Å; V140-F142 WeakPolarHBondContact O-CD1 3.48Å; V140-N172 PolarHBondContact O-ND2 3.16Å |
| 141 | Q | 90.6 | Very high | 88.4 | Confident | 47 Ų | 47 | 47.2 Ų | 47.2 | 22% | 0.22 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 135.1 | 178.2 | -64.7 | -169.8 | -0.6 | 0 | 0 | 111.9 | T44 L45 Q46 E47 N139 N172 P173 V228 | T44-Q141 HydrophobicContact CG2-CG 3.88Å; T44-Q141 VanDerWaalsContact CG2-NE2 3.28Å; L45-Q141 PolarHBondContact O-N 2.71Å; Q46-Q141 CarbonylContact C-O 3.55Å; Q46-Q141 WeakPolarHBondContact CA-O 3.32Å; E47-Q141 PolarHBondContact N-O 3.38Å; N139-Q141 PolarHBondContact O-N 3.46Å; Q141-N172 CarbonylContact C-O 3.44Å; Q141-N172 WeakPolarHBondContact CA-O 3.48Å; Q141-P173 HydrophobicContact CG-CG 4.13Å; Q141-V228 HydrophobicContact CB-CG2 3.98Å |
| 142 | F | 90.3 | Very high | 87.7 | Confident | 10 Ų | 10 | 48.6 Ų | 48.6 | 4% | 0.044 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 155.2 | -179.9 | 55.7 | -85.6 | 0 | 0 | 0 | 111.1 | E47 K114 V140 R170 N172 N226 | E47-F142 HydrophobicContact CB-CB 4.02Å; E47-F142 VanDerWaalsContact OE2-CB 3.3Å; E47-F142 WeakPolarHBondContact OE2-CB 3.5Å; K114-F142 HydrophobicContact CB-CD1 3.9Å; K114-F142 HydrophobicContact CB-CE1 4.03Å; K114-F142 HydrophobicContact CB-CG 4.3Å; K114-F142 HydrophobicContact CD-CB 4.36Å; K114-F142 HydrophobicContact CD-CD1 4.39Å; K114-F142 HydrophobicContact CD-CD2 3.83Å; K114-F142 HydrophobicContact CD-CE2 4.23Å; K114-F142 HydrophobicContact CD-CG 3.96Å; K114-F142 HydrophobicContact CG-CB 4.06Å; K114-F142 HydrophobicContact CG-CD1 3.91Å; K114-F142 HydrophobicContact CG-CD2 4.22Å; K114-F142 HydrophobicContact CG-CE1 4.43Å; K114-F142 HydrophobicContact CG-CG 3.81Å; V140-F142 WeakPolarHBondContact O-CD1 3.48Å; F142-R170 HydrophobicContact CE2-CG 4.1Å; F142-R170 HydrophobicContact CZ-CG 4.16Å; F142-N172 HydrophobicContact CD1-CB 3.97Å; F142-N172 HydrophobicContact CE1-CB 3.53Å; F142-N172 HydrophobicContact CZ-CB 4.04Å; F142-N172 PolarHBondContact N-O 2.97Å; F142-N226 PolarHBondContact O-ND2 3.26Å |
| 143 | Q | 92.6 | Very high | 86.8 | Confident | 104 Ų | 104 | 48.8 Ų | 48.8 | 49% | 0.486 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 155 | 175 | 63.3 | 173.5 | 89.1 | 0 | 0 | 111.4 | ||
| 144 | P | 90.6 | Very high | 85.4 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.019 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 150 | -179.4 | -20.5 | 35 | 0 | 0 | 0 | 112.4 | V169 R170 A175 A224 N226 G229 A231 | P144-V169 HydrophobicContact CB-CG1 4.07Å; P144-R170 CarbonylContact C-O 3.57Å; P144-A175 HydrophobicContact CB-CB 4.09Å; P144-A175 HydrophobicContact CG-CB 3.76Å; P144-A224 HydrophobicContact CB-CB 3.85Å; P144-A224 HydrophobicContact CG-CB 4.46Å; P144-N226 WeakPolarHBondContact CD-OD1 3.43Å; P144-N226 HydrophobicContact CG-CB 4.14Å; P144-G229 WeakPolarHBondContact CD-O 3.48Å; P144-A231 HydrophobicContact CB-CB 4.41Å; P144-A231 VanDerWaalsContact O-CB 3.31Å; P144-A231 WeakPolarHBondContact O-CB 3.35Å |
| 145 | E | 87.9 | Confident | 84 | Confident | 68 Ų | 68 | 54.6 Ų | 54.6 | 32% | 0.318 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 111.5 | 179.5 | -170.3 | 177.8 | 158.1 | 0 | 0 | 108.4 | K114 L147 R170 | K114-E145 IonicContact NZ-OE2 3.46Å; K114-E145 PolarHBondContact NZ-OE2 3.5Å; E145-L147 HydrophobicContact CG-CD2 4.05Å; E145-L147 PolarHBondContact O-N 3.39Å; E145-R170 PolarHBondContact N-O 2.85Å; E145-R170 PolarHBondContact O-N 2.75Å; E145-R170 IonicContact OE2-NH1 2.79Å |
| 146 | I | 85.8 | Confident | 82.4 | Confident | 33 Ų | 33 | 55.2 Ų | 55.2 | 17% | 0.169 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 110.9 | -180 | -56.7 | 173.9 | 0 | 0 | 0 | 107.9 | V149 V169 A224 A231 | I146-V149 HydrophobicContact CG2-CG2 3.6Å; I146-V169 HydrophobicContact CG1-CG2 4.16Å; I146-A224 HydrophobicContact CD1-CB 4.22Å; I146-A224 HydrophobicContact CG1-CB 4.13Å; I146-A231 HydrophobicContact CD1-CB 4.16Å; I146-A231 HydrophobicContact CG1-CB 4.08Å |
| 147 | L | 84.5 | Confident | 80.5 | Confident | 91 Ų | 91 | 60.8 Ų | 60.8 | 48% | 0.476 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | -34.1 | -175.2 | -61.7 | 178.3 | 0 | 0 | 0 | 112.5 | E145 L168 R170 | E145-L147 HydrophobicContact CG-CD2 4.05Å; E145-L147 PolarHBondContact O-N 3.39Å; L147-L168 HydrophobicContact CB-CB 4.48Å; L147-L168 HydrophobicContact CB-CD2 4.04Å; L147-L168 HydrophobicContact CB-CG 4.15Å; L147-L168 HydrophobicContact CD1-CD2 4.16Å; L147-L168 HydrophobicContact CD1-CG 4.28Å; L147-L168 PolarHBondContact N-O 3.42Å; L147-R170 HydrophobicContact CD1-CB 4.1Å; L147-R170 HydrophobicContact CG-CB 4.49Å |
| 148 | R | 82.3 | Confident | 78.8 | Confident | 151 Ų | 151 | 62.1 Ų | 62.1 | 57% | 0.57 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 141 | 178.6 | -171 | 172.3 | -177.8 | -179.8 | 0.5 | 110.6 | F166 L168 | R148-F166 HydrophobicContact CB-CE1 4.34Å; R148-F166 HydrophobicContact CG-CE1 4.31Å; R148-L168 HydrophobicContact CB-CB 4.21Å; R148-L168 PolarHBondContact N-O 3.39Å; R148-L168 PolarHBondContact O-N 3.19Å |
| 149 | V | 82.1 | Confident | 77.1 | Confident | 25 Ų | 25 | 68.5 Ų | 68.5 | 15% | 0.152 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 142.7 | 165 | -173.6 | 0 | 0 | 0 | 0 | 107.7 | I146 F166 V222 L235 | I146-V149 HydrophobicContact CG2-CG2 3.6Å; V149-F166 CarbonylContact C-O 3.53Å; V149-F166 VanDerWaalsContact CA-O 3.29Å; V149-F166 WeakPolarHBondContact CA-O 3.27Å; V149-V222 HydrophobicContact CG1-CG2 3.65Å; V149-V222 HydrophobicContact CG2-CB 4.36Å; V149-V222 HydrophobicContact CG2-CG2 4.07Å; V149-L235 HydrophobicContact CG1-CB 4Å; V149-L235 HydrophobicContact CG1-CD1 4.12Å; V149-L235 HydrophobicContact CG1-CD2 3.93Å; V149-L235 HydrophobicContact CG1-CG 4.24Å |
| 150 | N | 77.5 | Confident | 75.4 | Confident | 38 Ų | 38 | 67.6 Ų | 67.6 | 20% | 0.203 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 163.9 | 172.8 | -155.4 | 10.7 | 0 | 0 | 0 | 112.2 | H152 F166 | N150-H152 PolarHBondContact ND2-CE1 2.69Å; N150-H152 PolarHBondContact ND2-NE2 3Å; N150-F166 HydrophobicContact CB-CD1 4.33Å; N150-F166 PolarHBondContact N-O 3.42Å; N150-F166 PolarHBondContact O-N 3.32Å |
| 151 | A | 78.2 | Confident | 74 | Confident | 1 Ų | 1 | 71.9 Ų | 71.9 | 1% | 0.008 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 142.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | L163 V164 L165 L235 L237 F240 | A151-L163 HydrophobicContact CB-CD1 4.05Å; A151-V164 WeakPolarHBondContact CA-O 3.33Å; A151-L165 HydrophobicContact CB-CD2 4.21Å; A151-L235 HydrophobicContact CB-CD2 4.16Å; A151-L237 HydrophobicContact CB-CD2 3.77Å; A151-F240 HydrophobicContact CB-CE2 4.42Å |
| 152 | H | 73.1 | Confident | 72.8 | Confident | 102 Ų | 102 | 69.8 Ų | 69.8 | 47% | 0.472 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 142.8 | 171.2 | -56.9 | 88.7 | 0 | 0 | 0 | 110 | N150 V164 | N150-H152 PolarHBondContact ND2-CE1 2.69Å; N150-H152 PolarHBondContact ND2-NE2 3Å; H152-V164 PolarHBondContact N-O 3.18Å; H152-V164 PolarHBondContact O-N 2.95Å |
| 153 | Y | 69 | Low | 72 | Confident | 82 Ų | 82 | 69.4 Ų | 69.4 | 32% | 0.322 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 141.3 | 168 | -71.1 | -60.8 | 0 | 0 | 0 | 111.2 | S162 L163 L213 F240 | Y153-S162 WeakPolarHBondContact CA-O 3.45Å; Y153-L163 HydrophobicContact CD1-CD1 3.93Å; Y153-L163 HydrophobicContact CE1-CD1 3.79Å; Y153-L213 HydrophobicContact CE1-CD2 4.4Å; Y153-F240 HydrophobicContact CD2-CD1 4.05Å; Y153-F240 HydrophobicContact CE2-CB 3.63Å; Y153-F240 AromaticContact CE2-CD1 3.76Å; Y153-F240 HydrophobicContact CE2-CD1 3.76Å; Y153-F240 HydrophobicContact CE2-CG 4.12Å; Y153-F240 PolarHBondContact OH-O 3.12Å |
| 154 | S | 61.9 | Low | 71.1 | Confident | 42 Ų | 42 | 65.9 Ų | 65.9 | 29% | 0.294 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 116 | 163.6 | 157.4 | 0 | 0 | 0 | 0 | 106.8 | S162 R210 | S154-S162 PolarHBondContact N-O 3.04Å; S154-S162 PolarHBondContact O-N 2.79Å; S154-R210 PolarHBondContact OG-NH2 2.87Å; S154-R210 VanDerWaalsContact OG-NH2 3.16Å |
| 155 | E | 62.6 | Low | 70.4 | Confident | 170 Ų | 170 | 65.8 Ų | 65.8 | 79% | 0.794 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 134.1 | 162.4 | -164.6 | 162 | -147.1 | 0 | 0 | 107.6 | ||
| 156 | T | 60.6 | Low | 69.8 | Low | 35 Ų | 35 | 64.3 Ų | 64.3 | 22% | 0.215 | 35% | 0.348 | C | S | . | . | trans | -103.7 | 162 | -179.7 | -25.7 | 0 | 0 | 0 | 0 | 109 | D158 G160 S162 R210 | T156-D158 PolarHBondContact O-N 2.77Å; T156-G160 PolarHBondContact OG1-O 2.8Å; T156-G160 VanDerWaalsContact OG1-O 3.08Å; T156-S162 PolarHBondContact OG1-OG 2.84Å; T156-R210 VanDerWaalsContact CG2-NH2 3.33Å; T156-R210 PolarHBondContact OG1-NH2 2.79Å | ||
| 157 | S | 54.5 | Low | 69.5 | Low | 120 Ų | 120 | 62.8 Ų | 62.8 | 84% | 0.839 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -58.8 | -32.3 | 165.1 | 47.2 | 0 | 0 | 0 | 0 | 112.3 | ||
| 158 | D | 56.8 | Low | 69.3 | Low | 107 Ų | 107 | 61 Ų | 61 | 57% | 0.572 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -74.8 | 146.6 | 173.4 | -48.3 | -46 | 0 | 0 | 0 | 110.7 | T156 G160 | T156-D158 PolarHBondContact O-N 2.77Å; D158-G160 VanDerWaalsContact C-N 3.29Å; D158-G160 PolarHBondContact O-N 2.78Å |
| 159 | P | 55.9 | Low | 69.2 | Low | 145 Ų | 145 | 54.5 Ų | 54.5 | 94% | 0.942 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -66.3 | 84.9 | 176.5 | 27.9 | -35.1 | 0 | 0 | 0 | 111.5 | ||
| 160 | G | 55.6 | Low | 69.3 | Low | 39 Ų | 39 | 55.2 Ų | 55.2 | 40% | 0.402 | 31% | 0.308 | S | S | . | . | S | Bend | trans | 179.1 | 130.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | T156 D158 | T156-G160 PolarHBondContact OG1-O 2.8Å; T156-G160 VanDerWaalsContact OG1-O 3.08Å; D158-G160 VanDerWaalsContact C-N 3.29Å; D158-G160 PolarHBondContact O-N 2.78Å |
| 161 | L | 60.6 | Low | 69.7 | Low | 96 Ų | 96 | 54.4 Ų | 54.4 | 50% | 0.503 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 127.1 | 169.3 | -68 | 171.2 | 0 | 0 | 0 | 109.9 | ||
| 162 | S | 67.1 | Low | 70 | Confident | 4 Ų | 4 | 56.5 Ų | 56.5 | 3% | 0.028 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 137.8 | 173.7 | -64.8 | 0 | 0 | 0 | 0 | 111.1 | Y153 S154 T156 R210 | Y153-S162 WeakPolarHBondContact CA-O 3.45Å; S154-S162 PolarHBondContact N-O 3.04Å; S154-S162 PolarHBondContact O-N 2.79Å; T156-S162 PolarHBondContact OG1-OG 2.84Å; S162-R210 PolarHBondContact OG-NH1 2.79Å; S162-R210 PolarHBondContact OG-NH2 3.31Å |
| 163 | L | 71.9 | Confident | 70.6 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 123.1 | 178.4 | -171.3 | 66 | 0 | 0 | 0 | 109.4 | A151 Y153 L165 V211 L213 L216 L237 | A151-L163 HydrophobicContact CB-CD1 4.05Å; Y153-L163 HydrophobicContact CD1-CD1 3.93Å; Y153-L163 HydrophobicContact CE1-CD1 3.79Å; L163-L165 HydrophobicContact CD2-CD2 3.89Å; L163-L165 HydrophobicContact CD2-CG 4.37Å; L163-L165 HydrophobicContact CG-CD2 4.14Å; L163-L165 HydrophobicContact CG-CG 4.4Å; L163-V211 PolarHBondContact N-O 3.33Å; L163-V211 PolarHBondContact O-N 3.42Å; L163-L213 HydrophobicContact CB-CD1 4.13Å; L163-L213 HydrophobicContact CD2-CD1 4.1Å; L163-L216 HydrophobicContact CD2-CD1 4.35Å; L163-L237 HydrophobicContact CD2-CD1 4.07Å; L163-L237 HydrophobicContact CD2-CD2 4.14Å |
| 164 | V | 74.5 | Confident | 71.3 | Confident | 31 Ų | 31 | 53 Ų | 53 | 19% | 0.188 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 110 | 172.1 | -175.5 | 0 | 0 | 0 | 0 | 108.5 | A151 H152 T208 L209 R210 | A151-V164 WeakPolarHBondContact CA-O 3.33Å; H152-V164 PolarHBondContact N-O 3.18Å; H152-V164 PolarHBondContact O-N 2.95Å; V164-T208 HydrophobicContact CG1-CG2 4.09Å; V164-L209 CarbonylContact C-O 3.57Å; V164-L209 WeakPolarHBondContact CA-O 3.34Å; V164-R210 HydrophobicContact CG2-CG 4.4Å |
| 165 | L | 76.3 | Confident | 72.4 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 135.2 | 174.2 | -62.3 | 172.1 | 0 | 0 | 0 | 109.3 | A151 L163 F179 T208 L209 V211 L220 L235 | A151-L165 HydrophobicContact CB-CD2 4.21Å; L163-L165 HydrophobicContact CD2-CD2 3.89Å; L163-L165 HydrophobicContact CD2-CG 4.37Å; L163-L165 HydrophobicContact CG-CD2 4.14Å; L163-L165 HydrophobicContact CG-CG 4.4Å; L165-F179 HydrophobicContact CB-CE1 4.01Å; L165-F179 HydrophobicContact CB-CZ 4.21Å; L165-F179 HydrophobicContact CD1-CD1 3.95Å; L165-F179 HydrophobicContact CD1-CE1 4.27Å; L165-F179 HydrophobicContact CD1-CG 4.24Å; L165-T208 WeakPolarHBondContact O-CA 3.29Å; L165-L209 HydrophobicContact CB-CB 4.37Å; L165-L209 HydrophobicContact CB-CD2 4.49Å; L165-L209 HydrophobicContact CD1-CD2 4Å; L165-L209 PolarHBondContact N-O 3.44Å; L165-L209 PolarHBondContact O-N 2.86Å; L165-V211 HydrophobicContact CD1-CG2 3.87Å; L165-L220 HydrophobicContact CD1-CD2 3.55Å; L165-L220 HydrophobicContact CD2-CD2 3.77Å; L165-L220 HydrophobicContact CG-CD2 4.31Å; L165-L235 HydrophobicContact CD2-CD2 3.74Å |
| 166 | F | 76.1 | Confident | 73.4 | Confident | 36 Ų | 36 | 46 Ų | 46 | 16% | 0.158 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 130.4 | 178.8 | 170.9 | -102.2 | 0 | 0 | 0 | 109.8 | R148 V149 N150 L168 N206 | R148-F166 HydrophobicContact CB-CE1 4.34Å; R148-F166 HydrophobicContact CG-CE1 4.31Å; V149-F166 CarbonylContact C-O 3.53Å; V149-F166 VanDerWaalsContact CA-O 3.29Å; V149-F166 WeakPolarHBondContact CA-O 3.27Å; N150-F166 HydrophobicContact CB-CD1 4.33Å; N150-F166 PolarHBondContact N-O 3.42Å; N150-F166 PolarHBondContact O-N 3.32Å; F166-L168 HydrophobicContact CE1-CB 3.95Å; F166-L168 HydrophobicContact CZ-CB 3.77Å; F166-N206 WeakPolarHBondContact CD2-OD1 3.2Å; F166-N206 HydrophobicContact CE2-CB 4.06Å; F166-N206 WeakPolarHBondContact CE2-OD1 3.42Å |
| 167 | A | 78.6 | Confident | 74.5 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.008 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 121.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | V169 I177 F179 V222 | A167-V169 HydrophobicContact CB-CG2 4.2Å; A167-I177 HydrophobicContact CB-CG2 4.46Å; A167-F179 HydrophobicContact CB-CZ 3.99Å; A167-V222 HydrophobicContact CB-CG1 4.13Å |
| 168 | L | 81 | Confident | 76 | Confident | 55 Ų | 55 | 40.2 Ų | 40.2 | 29% | 0.288 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 107.3 | 169.3 | -176.4 | 62.9 | 0 | 0 | 0 | 108.5 | L147 R148 F166 | L147-L168 HydrophobicContact CB-CB 4.48Å; L147-L168 HydrophobicContact CB-CD2 4.04Å; L147-L168 HydrophobicContact CB-CG 4.15Å; L147-L168 HydrophobicContact CD1-CD2 4.16Å; L147-L168 HydrophobicContact CD1-CG 4.28Å; L147-L168 PolarHBondContact N-O 3.42Å; R148-L168 HydrophobicContact CB-CB 4.21Å; R148-L168 PolarHBondContact N-O 3.39Å; R148-L168 PolarHBondContact O-N 3.19Å; F166-L168 HydrophobicContact CE1-CB 3.95Å; F166-L168 HydrophobicContact CZ-CB 3.77Å |
| 169 | V | 80.3 | Confident | 77.4 | Confident | 13 Ų | 13 | 35.2 Ų | 35.2 | 8% | 0.079 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 127.8 | -177.4 | -176.3 | 0 | 0 | 0 | 0 | 109.3 | P144 I146 A167 I177 A224 | P144-V169 HydrophobicContact CB-CG1 4.07Å; I146-V169 HydrophobicContact CG1-CG2 4.16Å; A167-V169 HydrophobicContact CB-CG2 4.2Å; V169-I177 HydrophobicContact CB-CD1 3.92Å; V169-I177 HydrophobicContact CB-CG1 4.45Å; V169-I177 HydrophobicContact CG2-CD1 3.61Å; V169-I177 HydrophobicContact CG2-CG1 4.07Å; V169-A224 HydrophobicContact CG1-CB 3.68Å; V169-A224 HydrophobicContact CG2-CB 4.31Å |
| 170 | R | 83.8 | Confident | 78.8 | Confident | 40 Ų | 40 | 29.5 Ų | 29.5 | 15% | 0.151 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 124.2 | 176 | -175.8 | 176 | 160.9 | -122.1 | -10.1 | 109.7 | W115 F142 P144 E145 L147 | W115-R170 VanDerWaalsContact CE3-NH2 3.32Å; W115-R170 VanDerWaalsContact CH2-NH2 3.29Å; W115-R170 VanDerWaalsContact CZ3-NH2 3.34Å; F142-R170 HydrophobicContact CE2-CG 4.1Å; F142-R170 HydrophobicContact CZ-CG 4.16Å; P144-R170 CarbonylContact C-O 3.57Å; E145-R170 PolarHBondContact N-O 2.85Å; E145-R170 PolarHBondContact O-N 2.75Å; E145-R170 IonicContact OE2-NH1 2.79Å; L147-R170 HydrophobicContact CD1-CB 4.1Å; L147-R170 HydrophobicContact CG-CB 4.49Å |
| 171 | S | 85.3 | Confident | 80 | Confident | 22 Ų | 22 | 29.1 Ų | 29.1 | 15% | 0.154 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 154.1 | -177.3 | 58.4 | 0 | 0 | 0 | 0 | 111.7 | P173 A175 | S171-P173 CarbonylContact C-O 3.56Å; S171-P173 WeakPolarHBondContact CB-O 3.31Å; S171-P173 PolarHBondContact OG-O 3.2Å; S171-A175 WeakPolarHBondContact OG-CB 3.29Å; S171-A175 PolarHBondContact OG-N 3.08Å; S171-A175 VanDerWaalsContact OG-N 3.1Å |
| 172 | N | 83.7 | Confident | 81 | Confident | 45 Ų | 45 | 30.8 Ų | 30.8 | 24% | 0.241 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 119.5 | 161.9 | -175.8 | 23.7 | 0 | 0 | 0 | 108.3 | N139 V140 Q141 F142 | N139-N172 PolarHBondContact OD1-ND2 3.46Å; V140-N172 PolarHBondContact O-ND2 3.16Å; Q141-N172 CarbonylContact C-O 3.44Å; Q141-N172 WeakPolarHBondContact CA-O 3.48Å; F142-N172 HydrophobicContact CD1-CB 3.97Å; F142-N172 HydrophobicContact CE1-CB 3.53Å; F142-N172 HydrophobicContact CZ-CB 4.04Å; F142-N172 PolarHBondContact N-O 2.97Å |
| 173 | P | 86.4 | Confident | 81.6 | Confident | 27 Ų | 27 | 34.9 Ų | 34.9 | 18% | 0.175 | 20% | 0.199 | C | C | . | . | S | Bend | cis | -61.7 | 168.7 | -1.8 | -22 | 36.7 | 0 | 0 | 0 | 112.9 | Q141 S171 N226 | Q141-P173 HydrophobicContact CG-CG 4.13Å; S171-P173 CarbonylContact C-O 3.56Å; S171-P173 WeakPolarHBondContact CB-O 3.31Å; S171-P173 PolarHBondContact OG-O 3.2Å; P173-N226 PolarHBondContact O-ND2 2.89Å |
| 174 | P | 84.1 | Confident | 82 | Confident | 84 Ų | 84 | 37.6 Ų | 37.6 | 55% | 0.545 | 23% | 0.227 | S | C | . | . | P | Polyproline II helix | trans | -49.7 | 139.5 | 174.6 | -27.1 | 35.5 | 0 | 0 | 0 | 112.2 | I195 | P174-I195 HydrophobicContact CB-CD1 3.89Å; P174-I195 HydrophobicContact CB-CG2 4.43Å |
| 175 | A | 84 | Confident | 82.3 | Confident | 8 Ų | 8 | 42.6 Ų | 42.6 | 7% | 0.066 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -101 | 141.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | P144 S171 T225 N226 | P144-A175 HydrophobicContact CB-CB 4.09Å; P144-A175 HydrophobicContact CG-CB 3.76Å; S171-A175 WeakPolarHBondContact OG-CB 3.29Å; S171-A175 PolarHBondContact OG-N 3.08Å; S171-A175 VanDerWaalsContact OG-N 3.1Å; A175-T225 CarbonylContact C-O 3.53Å; A175-T225 WeakPolarHBondContact CA-O 3.49Å; A175-T225 WeakPolarHBondContact CB-O 3.34Å; A175-N226 HydrophobicContact CB-CB 4.23Å |
| 176 | T | 84.3 | Confident | 82.5 | Confident | 55 Ų | 55 | 47.2 Ų | 47.2 | 34% | 0.337 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 128.5 | 165.7 | -58.8 | 0 | 0 | 0 | 0 | 108.6 | T178 N189 A224 T225 | T176-T178 HydrophobicContact CG2-CG2 4.33Å; T176-N189 WeakPolarHBondContact CG2-OD1 3.32Å; T176-A224 WeakPolarHBondContact O-CA 3.42Å; T176-T225 PolarHBondContact N-O 3.06Å; T176-T225 PolarHBondContact O-N 3.22Å; T176-T225 PolarHBondContact O-OG1 2.87Å |
| 177 | I | 84.5 | Confident | 82.5 | Confident | 6 Ų | 6 | 47.1 Ų | 47.1 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 127.4 | 178.7 | -50.1 | 165.3 | 0 | 0 | 0 | 108.5 | A167 V169 F179 T190 V222 N223 A224 | A167-I177 HydrophobicContact CB-CG2 4.46Å; V169-I177 HydrophobicContact CB-CD1 3.92Å; V169-I177 HydrophobicContact CB-CG1 4.45Å; V169-I177 HydrophobicContact CG2-CD1 3.61Å; V169-I177 HydrophobicContact CG2-CG1 4.07Å; I177-F179 HydrophobicContact CG2-CE2 4.14Å; I177-F179 HydrophobicContact CG2-CZ 4.44Å; I177-T190 WeakPolarHBondContact CB-OG1 2.92Å; I177-T190 PolarHBondContact O-N 2.81Å; I177-T190 PolarHBondContact O-OG1 2.88Å; I177-V222 HydrophobicContact CG2-CG1 3.67Å; I177-N223 CarbonylContact C-O 3.54Å; I177-N223 WeakPolarHBondContact CA-O 3.36Å; I177-A224 HydrophobicContact CG1-CB 4.48Å |
| 178 | T | 86.1 | Confident | 82.2 | Confident | 28 Ų | 28 | 47.8 Ų | 47.8 | 17% | 0.172 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 142.9 | 176.5 | 58.2 | 0 | 0 | 0 | 0 | 110.9 | T176 L186 A188 N189 V222 N223 | T176-T178 HydrophobicContact CG2-CG2 4.33Å; T178-L186 HydrophobicContact CG2-CD1 4.1Å; T178-A188 WeakPolarHBondContact CA-O 3.37Å; T178-N189 HydrophobicContact CG2-CB 4.15Å; T178-V222 WeakPolarHBondContact O-CA 3.13Å; T178-N223 PolarHBondContact N-O 3.06Å; T178-N223 PolarHBondContact O-N 3.3Å |
| 179 | F | 84.4 | Confident | 81.9 | Confident | 3 Ų | 3 | 48 Ų | 48 | 1% | 0.013 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 124.7 | 176 | -66.8 | -92.2 | 0 | 0 | 0 | 108.2 | L165 A167 I177 V187 A188 T190 L209 L220 V222 | L165-F179 HydrophobicContact CB-CE1 4.01Å; L165-F179 HydrophobicContact CB-CZ 4.21Å; L165-F179 HydrophobicContact CD1-CD1 3.95Å; L165-F179 HydrophobicContact CD1-CE1 4.27Å; L165-F179 HydrophobicContact CD1-CG 4.24Å; A167-F179 HydrophobicContact CB-CZ 3.99Å; I177-F179 HydrophobicContact CG2-CE2 4.14Å; I177-F179 HydrophobicContact CG2-CZ 4.44Å; F179-V187 HydrophobicContact CB-CB 4.37Å; F179-V187 PolarHBondContact O-N 3.24Å; F179-A188 HydrophobicContact CB-CB 4.5Å; F179-A188 HydrophobicContact CD2-CB 4.43Å; F179-A188 PolarHBondContact N-O 3.33Å; F179-A188 PolarHBondContact O-N 3.48Å; F179-T190 HydrophobicContact CD2-CG2 4.32Å; F179-T190 HydrophobicContact CE2-CG2 4Å; F179-L209 HydrophobicContact CD2-CD2 3.53Å; F179-L209 HydrophobicContact CE2-CB 4.48Å; F179-L209 HydrophobicContact CE2-CD2 3.75Å; F179-L209 HydrophobicContact CG-CD2 4.17Å; F179-L220 HydrophobicContact CB-CD1 4.33Å; F179-L220 HydrophobicContact CB-CD2 4.19Å; F179-L220 HydrophobicContact CB-CG 4.41Å; F179-L220 HydrophobicContact CD1-CD2 3.62Å; F179-L220 HydrophobicContact CD1-CG 4.34Å; F179-L220 HydrophobicContact CE1-CD2 4.5Å; F179-L220 HydrophobicContact CG-CD2 4.34Å; F179-V222 HydrophobicContact CD1-CB 4.43Å; F179-V222 HydrophobicContact CD1-CG1 4.31Å; F179-V222 HydrophobicContact CD1-CG2 3.62Å; F179-V222 HydrophobicContact CE1-CB 4.34Å; F179-V222 HydrophobicContact CE1-CG1 3.96Å; F179-V222 HydrophobicContact CE1-CG2 3.5Å; F179-V222 VanDerWaalsContact CE1-CG2 3.5Å; F179-V222 HydrophobicContact CZ-CG1 4.24Å |
| 180 | V | 86 | Confident | 81.3 | Confident | 25 Ų | 25 | 47.7 Ų | 47.7 | 15% | 0.152 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 132.3 | -171.9 | -173.4 | 0 | 0 | 0 | 0 | 108.9 | G184 Q185 L220 T221 | V180-G184 WeakPolarHBondContact CG1-O 3.3Å; V180-Q185 WeakPolarHBondContact CA-O 3.48Å; V180-L220 WeakPolarHBondContact O-CD1 3.45Å; V180-T221 PolarHBondContact N-O 3.16Å; V180-T221 PolarHBondContact O-N 2.95Å |
| 181 | D | 82.1 | Confident | 80 | Confident | 31 Ų | 31 | 48.4 Ų | 48.4 | 17% | 0.166 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 175.9 | 178 | 68.6 | 26.5 | 0 | 0 | 0 | 113.2 | S183 G184 Q185 V187 | D181-S183 PolarHBondContact O-N 3.04Å; D181-S183 VanDerWaalsContact O-N 3.16Å; D181-S183 VanDerWaalsContact OD1-CA 3.32Å; D181-S183 WeakPolarHBondContact OD1-CA 3.4Å; D181-S183 WeakPolarHBondContact OD1-CB 3.47Å; D181-S183 PolarHBondContact OD1-N 2.84Å; D181-S183 PolarHBondContact OD1-OG 2.94Å; D181-S183 PolarHBondContact OD2-OG 2.93Å; D181-G184 PolarHBondContact O-N 2.79Å; D181-G184 PolarHBondContact OD1-N 2.98Å; D181-G184 VanDerWaalsContact OD1-N 3.14Å; D181-Q185 PolarHBondContact N-O 3.44Å; D181-Q185 PolarHBondContact OD1-N 3.16Å; D181-V187 HydrophobicContact CB-CG2 3.8Å |
| 182 | Q | 81 | Confident | 78.2 | Confident | 130 Ų | 130 | 53.5 Ų | 53.5 | 61% | 0.607 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -19.2 | 178.2 | 70.2 | -163.7 | -3.9 | 0 | 0 | 114.8 | S217 G218 N219 | Q182-S217 PolarHBondContact NE2-O 2.66Å; Q182-G218 VanDerWaalsContact OE1-CA 3.3Å; Q182-N219 PolarHBondContact N-O 3.19Å |
| 183 | S | 80.4 | Confident | 76.5 | Confident | 91 Ų | 91 | 56.8 Ų | 56.8 | 64% | 0.636 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -4.3 | 174.2 | 18.3 | 0 | 0 | 0 | 0 | 113 | D181 Q185 | D181-S183 PolarHBondContact O-N 3.04Å; D181-S183 VanDerWaalsContact O-N 3.16Å; D181-S183 VanDerWaalsContact OD1-CA 3.32Å; D181-S183 WeakPolarHBondContact OD1-CA 3.4Å; D181-S183 WeakPolarHBondContact OD1-CB 3.47Å; D181-S183 PolarHBondContact OD1-N 2.84Å; D181-S183 PolarHBondContact OD1-OG 2.94Å; D181-S183 PolarHBondContact OD2-OG 2.93Å; S183-Q185 VanDerWaalsContact C-N 3.32Å |
| 184 | G | 78.3 | Confident | 74.5 | Confident | 57 Ų | 57 | 62.2 Ų | 62.2 | 59% | 0.588 | 36% | 0.356 | S | S | * | . | S | Bend | trans | 82.3 | 7.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | V180 D181 | V180-G184 WeakPolarHBondContact CG1-O 3.3Å; D181-G184 PolarHBondContact O-N 2.79Å; D181-G184 PolarHBondContact OD1-N 2.98Å; D181-G184 VanDerWaalsContact OD1-N 3.14Å |
| 185 | Q | 82.2 | Confident | 72.8 | Confident | 136 Ų | 136 | 61.6 Ų | 61.6 | 64% | 0.636 | 35% | 0.347 | S | S | * | . | trans | -82.7 | 138.4 | 178.8 | 178.1 | 172.8 | -13.2 | 0 | 0 | 110.5 | V180 D181 S183 V187 | V180-Q185 WeakPolarHBondContact CA-O 3.48Å; D181-Q185 PolarHBondContact N-O 3.44Å; D181-Q185 PolarHBondContact OD1-N 3.16Å; S183-Q185 VanDerWaalsContact C-N 3.32Å; Q185-V187 PolarHBondContact O-N 3.33Å | ||
| 186 | L | 79.5 | Confident | 70.7 | Confident | 99 Ų | 99 | 67 Ų | 67 | 52% | 0.518 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 115.1 | 177.9 | -175.7 | 72.9 | 0 | 0 | 0 | 109.9 | T178 A188 N189 | T178-L186 HydrophobicContact CG2-CD1 4.1Å; L186-A188 WeakPolarHBondContact CD1-O 3.33Å; L186-N189 HydrophobicContact CD1-CB 4.42Å; L186-N189 HydrophobicContact CD2-CB 4.15Å |
| 187 | V | 76.4 | Confident | 68.8 | Low | 34 Ų | 34 | 68 Ų | 68 | 21% | 0.206 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | -39.4 | 174.2 | 179.6 | 0 | 0 | 0 | 0 | 110.2 | F179 D181 Q185 V211 L216 L220 | F179-V187 HydrophobicContact CB-CB 4.37Å; F179-V187 PolarHBondContact O-N 3.24Å; D181-V187 HydrophobicContact CB-CG2 3.8Å; Q185-V187 PolarHBondContact O-N 3.33Å; V187-V211 HydrophobicContact CG1-CG1 4.1Å; V187-V211 HydrophobicContact CG1-CG2 4.49Å; V187-L216 HydrophobicContact CB-CD2 4.47Å; V187-L216 HydrophobicContact CG1-CD1 3.99Å; V187-L216 HydrophobicContact CG1-CD2 3.86Å; V187-L216 HydrophobicContact CG1-CG 4.48Å; V187-L216 HydrophobicContact CG2-CD2 3.7Å; V187-L220 HydrophobicContact CB-CD1 4.16Å; V187-L220 HydrophobicContact CG1-CD1 4.49Å; V187-L220 HydrophobicContact CG2-CD1 3.67Å |
| 188 | A | 73.4 | Confident | 66.8 | Low | 15 Ų | 15 | 69.2 Ų | 69.2 | 12% | 0.124 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 150.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T178 F179 L186 L209 | T178-A188 WeakPolarHBondContact CA-O 3.37Å; F179-A188 HydrophobicContact CB-CB 4.5Å; F179-A188 HydrophobicContact CD2-CB 4.43Å; F179-A188 PolarHBondContact N-O 3.33Å; F179-A188 PolarHBondContact O-N 3.48Å; L186-A188 WeakPolarHBondContact CD1-O 3.33Å; A188-L209 HydrophobicContact CB-CD1 3.95Å; A188-L209 HydrophobicContact CB-CD2 3.22Å; A188-L209 HydrophobicContact CB-CG 4.18Å |
| 189 | N | 74.3 | Confident | 64.8 | Low | 58 Ų | 58 | 78.5 Ų | 78.5 | 31% | 0.31 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 129.5 | 166.2 | 173.5 | 19.6 | 0 | 0 | 0 | 108 | T176 T178 L186 S191 | T176-N189 WeakPolarHBondContact CG2-OD1 3.32Å; T178-N189 HydrophobicContact CG2-CB 4.15Å; L186-N189 HydrophobicContact CD1-CB 4.42Å; L186-N189 HydrophobicContact CD2-CB 4.15Å; N189-S191 PolarHBondContact ND2-OG 3.18Å; N189-S191 PolarHBondContact OD1-N 2.86Å; N189-S191 VanDerWaalsContact OD1-N 3.09Å; N189-S191 PolarHBondContact OD1-OG 3.5Å |
| 190 | T | 66.4 | Low | 63 | Low | 7 Ų | 7 | 83.1 Ų | 83.1 | 4% | 0.043 | 45% | 0.451 | C | S | . | . | trans | -106 | 20.3 | -178.8 | 74.5 | 0 | 0 | 0 | 0 | 113.9 | I177 F179 D192 F193 L209 | I177-T190 WeakPolarHBondContact CB-OG1 2.92Å; I177-T190 PolarHBondContact O-N 2.81Å; I177-T190 PolarHBondContact O-OG1 2.88Å; F179-T190 HydrophobicContact CD2-CG2 4.32Å; F179-T190 HydrophobicContact CE2-CG2 4Å; T190-D192 PolarHBondContact O-N 2.89Å; T190-D192 VanDerWaalsContact O-N 3.1Å; T190-F193 HydrophobicContact CG2-CD2 4.13Å; T190-F193 PolarHBondContact O-N 2.82Å; T190-L209 HydrophobicContact CG2-CB 4.39Å; T190-L209 HydrophobicContact CG2-CD1 4.31Å; T190-L209 HydrophobicContact CG2-CD2 4.3Å | ||
| 191 | S | 58.1 | Low | 61.2 | Low | 56 Ų | 56 | 89.2 Ų | 89.2 | 39% | 0.392 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -27.4 | 165.9 | 52.8 | 0 | 0 | 0 | 0 | 113.2 | N189 | N189-S191 PolarHBondContact ND2-OG 3.18Å; N189-S191 PolarHBondContact OD1-N 2.86Å; N189-S191 VanDerWaalsContact OD1-N 3.09Å; N189-S191 PolarHBondContact OD1-OG 3.5Å |
| 192 | D | 46.8 | Very low | 59.2 | Low | 129 Ų | 129 | 91.4 Ų | 91.4 | 69% | 0.69 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | -9 | -169.2 | -50.5 | -13 | 0 | 0 | 0 | 112.2 | T190 L194 | T190-D192 PolarHBondContact O-N 2.89Å; T190-D192 VanDerWaalsContact O-N 3.1Å; D192-L194 PolarHBondContact O-N 2.87Å |
| 193 | F | 48.9 | Very low | 57.5 | Low | 113 Ų | 113 | 94 Ų | 94 | 50% | 0.496 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -91.5 | 82.8 | 177.4 | -72.6 | -77.6 | 0 | 0 | 0 | 111.3 | T190 I195 L209 | T190-F193 HydrophobicContact CG2-CD2 4.13Å; T190-F193 PolarHBondContact O-N 2.82Å; F193-I195 PolarHBondContact O-N 2.77Å; F193-L209 HydrophobicContact CE2-CD1 3.84Å; F193-L209 HydrophobicContact CZ-CD1 4.33Å |
| 194 | L | 42.8 | Very low | 55.8 | Low | 142 Ų | 142 | 93 Ų | 93 | 74% | 0.743 | 48% | 0.479 | S | S | * | . | trans | 1.2 | 95.7 | 169.8 | -66.3 | 176.5 | 0 | 0 | 0 | 116.6 | D192 L196 | D192-L194 PolarHBondContact O-N 2.87Å; L194-L196 HydrophobicContact CB-CD1 4.29Å; L194-L196 HydrophobicContact CD2-CD1 4.14Å; L194-L196 PolarHBondContact O-N 2.83Å | ||
| 195 | I | 48.9 | Very low | 54.3 | Low | 71 Ų | 71 | 91.7 Ų | 91.7 | 36% | 0.364 | 46% | 0.461 | S | S | . | . | trans | -80.2 | 110.9 | 162.9 | -54.2 | 173.6 | 0 | 0 | 0 | 107.6 | P174 F193 | P174-I195 HydrophobicContact CB-CD1 3.89Å; P174-I195 HydrophobicContact CB-CG2 4.43Å; F193-I195 PolarHBondContact O-N 2.77Å | ||
| 196 | L | 39.5 | Very low | 52.7 | Low | 120 Ų | 120 | 90.2 Ų | 90.2 | 63% | 0.628 | 46% | 0.457 | S | S | * | . | trans | -140.6 | 144.4 | -176.9 | -104.8 | 146.4 | 0 | 0 | 0 | 113.9 | L194 S198 | L194-L196 HydrophobicContact CB-CD1 4.29Å; L194-L196 HydrophobicContact CD2-CD1 4.14Å; L194-L196 PolarHBondContact O-N 2.83Å; L196-S198 PolarHBondContact O-N 3.5Å | ||
| 197 | D | 44.7 | Very low | 51.3 | Low | 76 Ų | 76 | 86.7 Ų | 86.7 | 41% | 0.406 | 44% | 0.438 | S | S | . | . | trans | -58.4 | 121.2 | -171.7 | 176.2 | 26.2 | 0 | 0 | 0 | 112.8 | R199 S200 Y201 | D197-R199 PolarHBondContact O-N 3.16Å; D197-R199 WeakPolarHBondContact OD1-CA 3.22Å; D197-R199 PolarHBondContact OD1-N 2.87Å; D197-S200 PolarHBondContact OD1-N 3.24Å; D197-S200 PolarHBondContact OD2-N 3.08Å; D197-Y201 HydrophobicContact CB-CE1 4.27Å | ||
| 198 | S | 42.1 | Very low | 50.2 | Low | 32 Ų | 32 | 89.1 Ų | 89.1 | 22% | 0.224 | 45% | 0.453 | C | S | . | . | trans | -83.5 | 38.9 | 173.1 | 38.7 | 0 | 0 | 0 | 0 | 112.1 | L196 | L196-S198 PolarHBondContact O-N 3.5Š| ||
| 199 | R | 44.8 | Very low | 49.4 | Very low | 223 Ų | 223 | 88.9 Ų | 88.9 | 84% | 0.842 | 45% | 0.449 | S | S | * | . | S | Bend | trans | 58 | 80.1 | -179 | -51.1 | -176.1 | -165.3 | -157.5 | 3.3 | 112.1 | D197 | D197-R199 PolarHBondContact O-N 3.16Å; D197-R199 WeakPolarHBondContact OD1-CA 3.22Å; D197-R199 PolarHBondContact OD1-N 2.87Å |
| 200 | S | 46.3 | Very low | 48.6 | Very low | 100 Ų | 100 | 91.7 Ų | 91.7 | 70% | 0.699 | 46% | 0.456 | S | S | * | . | S | Bend | trans | 76.8 | 27.9 | 174.9 | -44.3 | 0 | 0 | 0 | 0 | 116 | D197 | D197-S200 PolarHBondContact OD1-N 3.24Å; D197-S200 PolarHBondContact OD2-N 3.08Å |
| 201 | Y | 48.9 | Very low | 48.2 | Very low | 154 Ų | 154 | 92.4 Ų | 92.4 | 60% | 0.604 | 46% | 0.46 | S | S | * | . | trans | 68.3 | 67.3 | 157.9 | -44.4 | -75.4 | 0 | 0 | 0 | 121 | D197 L204 | D197-Y201 HydrophobicContact CB-CE1 4.27Å; Y201-L204 HydrophobicContact CD1-CD2 4.38Å | ||
| 202 | P | 39.5 | Very low | 48.2 | Very low | 77 Ų | 77 | 94.6 Ų | 94.6 | 50% | 0.5 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -111.4 | -7 | 179.1 | 13.2 | 10.4 | 0 | 0 | 0 | 117.7 | ||
| 203 | W | 45.9 | Very low | 48.5 | Very low | 185 Ų | 185 | 91.1 Ų | 91.1 | 70% | 0.701 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -157 | 14.5 | 176.7 | 48 | 76.6 | 0 | 0 | 0 | 116.7 | T205 | W203-T205 PolarHBondContact O-N 3.29Å; W203-T205 VanDerWaalsContact O-N 3.16Å |
| 204 | L | 44.9 | Very low | 48.6 | Very low | 68 Ų | 68 | 91.1 Ų | 91.1 | 36% | 0.356 | 47% | 0.466 | S | S | . | . | trans | 15.5 | 81.7 | 171.3 | -79.5 | 159.2 | 0 | 0 | 0 | 116.9 | Y201 | Y201-L204 HydrophobicContact CD1-CD2 4.38Š| ||
| 205 | T | 45.6 | Very low | 49 | Very low | 31 Ų | 31 | 89.2 Ų | 89.2 | 19% | 0.19 | 46% | 0.464 | C | S | . | . | trans | 54.2 | 97.9 | 155.3 | 50.6 | 0 | 0 | 0 | 0 | 118.5 | W203 H207 | W203-T205 PolarHBondContact O-N 3.29Å; W203-T205 VanDerWaalsContact O-N 3.16Å; T205-H207 WeakPolarHBondContact CB-NE2 3.5Å; T205-H207 PolarHBondContact O-CD2 2.95Å; T205-H207 VanDerWaalsContact O-CD2 3.24Å; T205-H207 PolarHBondContact O-N 3.26Å; T205-H207 VanDerWaalsContact O-N 3.08Å; T205-H207 PolarHBondContact OG1-NE2 3.47Å | ||
| 206 | N | 48.5 | Very low | 49.6 | Very low | 105 Ų | 105 | 87.1 Ų | 87.1 | 56% | 0.561 | 45% | 0.454 | S | S | * | . | trans | -61 | 103.3 | 152.7 | 174.2 | -2.2 | 0 | 0 | 0 | 109.4 | F166 T208 | F166-N206 WeakPolarHBondContact CD2-OD1 3.2Å; F166-N206 HydrophobicContact CE2-CB 4.06Å; F166-N206 WeakPolarHBondContact CE2-OD1 3.42Å; N206-T208 PolarHBondContact O-N 2.84Å; N206-T208 VanDerWaalsContact OD1-CG2 3.29Å; N206-T208 WeakPolarHBondContact OD1-CG2 3.36Å; N206-T208 PolarHBondContact OD1-N 2.87Å | ||
| 207 | H | 50.9 | Low | 50.5 | Low | 25 Ų | 25 | 85.1 Ų | 85.1 | 12% | 0.116 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 95.7 | 169.6 | -65 | -74.2 | 0 | 0 | 0 | 109.5 | T205 | T205-H207 WeakPolarHBondContact CB-NE2 3.5Å; T205-H207 PolarHBondContact O-CD2 2.95Å; T205-H207 VanDerWaalsContact O-CD2 3.24Å; T205-H207 PolarHBondContact O-N 3.26Å; T205-H207 VanDerWaalsContact O-N 3.08Å; T205-H207 PolarHBondContact OG1-NE2 3.47Å |
| 208 | T | 53.3 | Low | 51.7 | Low | 84 Ų | 84 | 82.7 Ų | 82.7 | 52% | 0.515 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 117.7 | 164.5 | 53.1 | 0 | 0 | 0 | 0 | 110 | V164 L165 N206 | V164-T208 HydrophobicContact CG1-CG2 4.09Å; L165-T208 WeakPolarHBondContact O-CA 3.29Å; N206-T208 PolarHBondContact O-N 2.84Å; N206-T208 VanDerWaalsContact OD1-CG2 3.29Å; N206-T208 WeakPolarHBondContact OD1-CG2 3.36Å; N206-T208 PolarHBondContact OD1-N 2.87Å |
| 209 | L | 57.2 | Low | 53.5 | Low | 10 Ų | 10 | 84.9 Ų | 84.9 | 5% | 0.052 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 125.3 | 171.1 | 169 | 73.1 | 0 | 0 | 0 | 108.9 | V164 L165 F179 A188 T190 F193 V211 | V164-L209 CarbonylContact C-O 3.57Å; V164-L209 WeakPolarHBondContact CA-O 3.34Å; L165-L209 HydrophobicContact CB-CB 4.37Å; L165-L209 HydrophobicContact CB-CD2 4.49Å; L165-L209 HydrophobicContact CD1-CD2 4Å; L165-L209 PolarHBondContact N-O 3.44Å; L165-L209 PolarHBondContact O-N 2.86Å; F179-L209 HydrophobicContact CD2-CD2 3.53Å; F179-L209 HydrophobicContact CE2-CB 4.48Å; F179-L209 HydrophobicContact CE2-CD2 3.75Å; F179-L209 HydrophobicContact CG-CD2 4.17Å; A188-L209 HydrophobicContact CB-CD1 3.95Å; A188-L209 HydrophobicContact CB-CD2 3.22Å; A188-L209 HydrophobicContact CB-CG 4.18Å; T190-L209 HydrophobicContact CG2-CB 4.39Å; T190-L209 HydrophobicContact CG2-CD1 4.31Å; T190-L209 HydrophobicContact CG2-CD2 4.3Å; F193-L209 HydrophobicContact CE2-CD1 3.84Å; F193-L209 HydrophobicContact CZ-CD1 4.33Å; L209-V211 HydrophobicContact CD1-CG2 4.43Å; L209-V211 HydrophobicContact CD2-CG2 3.75Å; L209-V211 HydrophobicContact CG-CG2 3.77Å |
| 210 | R | 56.9 | Low | 55.4 | Low | 118 Ų | 118 | 74.3 Ų | 74.3 | 45% | 0.445 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 123.9 | 172.8 | -162.5 | 178.2 | -156.4 | -110.3 | -1.2 | 109.4 | S154 T156 S162 V164 | S154-R210 PolarHBondContact OG-NH2 2.87Å; S154-R210 VanDerWaalsContact OG-NH2 3.16Å; T156-R210 VanDerWaalsContact CG2-NH2 3.33Å; T156-R210 PolarHBondContact OG1-NH2 2.79Å; S162-R210 PolarHBondContact OG-NH1 2.79Å; S162-R210 PolarHBondContact OG-NH2 3.31Å; V164-R210 HydrophobicContact CG2-CG 4.4Å |
| 211 | V | 58 | Low | 57.4 | Low | 21 Ų | 21 | 71.3 Ų | 71.3 | 13% | 0.127 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 134.2 | 177.2 | -169.5 | 0 | 0 | 0 | 0 | 109.3 | L163 L165 V187 L209 L216 | L163-V211 PolarHBondContact N-O 3.33Å; L163-V211 PolarHBondContact O-N 3.42Å; L165-V211 HydrophobicContact CD1-CG2 3.87Å; V187-V211 HydrophobicContact CG1-CG1 4.1Å; V187-V211 HydrophobicContact CG1-CG2 4.49Å; L209-V211 HydrophobicContact CD1-CG2 4.43Å; L209-V211 HydrophobicContact CD2-CG2 3.75Å; L209-V211 HydrophobicContact CG-CG2 3.77Å; V211-L216 HydrophobicContact CG1-CD1 3.92Å |
| 212 | T | 56.7 | Low | 59.2 | Low | 102 Ų | 102 | 64 Ų | 64 | 63% | 0.626 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78 | 130.3 | 174.7 | 45.9 | 0 | 0 | 0 | 0 | 110.1 | S214 | T212-S214 PolarHBondContact O-N 2.93Å |
| 213 | L | 53.3 | Low | 61.6 | Low | 56 Ų | 56 | 61.9 Ų | 61.9 | 29% | 0.293 | 35% | 0.345 | S | S | . | . | trans | -83.8 | 75.8 | -169.6 | -157.2 | 87.6 | 0 | 0 | 0 | 112 | Y153 L163 L216 | Y153-L213 HydrophobicContact CE1-CD2 4.4Å; L163-L213 HydrophobicContact CB-CD1 4.13Å; L163-L213 HydrophobicContact CD2-CD1 4.1Å; L213-L216 HydrophobicContact CD1-CB 4Å; L213-L216 HydrophobicContact CD1-CD1 4.38Å | ||
| 214 | S | 51 | Low | 63.7 | Low | 113 Ų | 113 | 53 Ų | 53 | 79% | 0.79 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -100.5 | -19.7 | 178.5 | 57.3 | 0 | 0 | 0 | 0 | 115.3 | T212 | T212-S214 PolarHBondContact O-N 2.93Š|
| 215 | S | 52.9 | Low | 65.9 | Low | 102 Ų | 102 | 51.9 Ų | 51.9 | 71% | 0.713 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -153.6 | 7.6 | -175.8 | -166.1 | 0 | 0 | 0 | 0 | 116.1 | S217 | S215-S217 PolarHBondContact O-N 3.14Š|
| 216 | L | 60.9 | Low | 68 | Low | 27 Ų | 27 | 51.7 Ų | 51.7 | 14% | 0.141 | 31% | 0.305 | C | S | . | . | trans | -87.7 | 88.1 | -171.3 | -70 | 169.4 | 0 | 0 | 0 | 112.9 | L163 V187 V211 L213 | L163-L216 HydrophobicContact CD2-CD1 4.35Å; V187-L216 HydrophobicContact CB-CD2 4.47Å; V187-L216 HydrophobicContact CG1-CD1 3.99Å; V187-L216 HydrophobicContact CG1-CD2 3.86Å; V187-L216 HydrophobicContact CG1-CG 4.48Å; V187-L216 HydrophobicContact CG2-CD2 3.7Å; V211-L216 HydrophobicContact CG1-CD1 3.92Å; L213-L216 HydrophobicContact CD1-CB 4Å; L213-L216 HydrophobicContact CD1-CD1 4.38Å | ||
| 217 | S | 57.8 | Low | 70 | Confident | 79 Ų | 79 | 51.5 Ų | 51.5 | 55% | 0.552 | 31% | 0.312 | S | S | * | . | trans | -118.8 | 87 | 172.4 | 53.9 | 0 | 0 | 0 | 0 | 111.7 | Q182 S215 | Q182-S217 PolarHBondContact NE2-O 2.66Å; S215-S217 PolarHBondContact O-N 3.14Å | ||
| 218 | G | 71.3 | Confident | 71.8 | Confident | 24 Ų | 24 | 52.1 Ų | 52.1 | 25% | 0.247 | 32% | 0.318 | C | S | . | . | S | Bend | trans | 161.7 | -162.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q182 L237 | Q182-G218 VanDerWaalsContact OE1-CA 3.3Å; G218-L237 WeakPolarHBondContact O-CB 3.4Å |
| 219 | N | 79.6 | Confident | 73.7 | Confident | 78 Ų | 78 | 49.4 Ų | 49.4 | 42% | 0.417 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 139.2 | 171.4 | -66.2 | -16.8 | 0 | 0 | 0 | 110 | Q182 L235 T236 | Q182-N219 PolarHBondContact N-O 3.19Å; N219-L235 WeakPolarHBondContact CA-O 3.34Å; N219-T236 WeakPolarHBondContact OD1-CA 3.46Å; N219-T236 WeakPolarHBondContact OD1-CG2 3.48Å |
| 220 | L | 83.3 | Confident | 75.3 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 133.6 | 177.1 | -170.6 | 75 | 0 | 0 | 0 | 108.9 | L165 F179 V180 V187 L235 | L165-L220 HydrophobicContact CD1-CD2 3.55Å; L165-L220 HydrophobicContact CD2-CD2 3.77Å; L165-L220 HydrophobicContact CG-CD2 4.31Å; F179-L220 HydrophobicContact CB-CD1 4.33Å; F179-L220 HydrophobicContact CB-CD2 4.19Å; F179-L220 HydrophobicContact CB-CG 4.41Å; F179-L220 HydrophobicContact CD1-CD2 3.62Å; F179-L220 HydrophobicContact CD1-CG 4.34Å; F179-L220 HydrophobicContact CE1-CD2 4.5Å; F179-L220 HydrophobicContact CG-CD2 4.34Å; V180-L220 WeakPolarHBondContact O-CD1 3.45Å; V187-L220 HydrophobicContact CB-CD1 4.16Å; V187-L220 HydrophobicContact CG1-CD1 4.49Å; V187-L220 HydrophobicContact CG2-CD1 3.67Å; L220-L235 HydrophobicContact CB-CB 4.39Å; L220-L235 HydrophobicContact CD2-CD2 4.21Å; L220-L235 PolarHBondContact N-O 2.89Å; L220-L235 PolarHBondContact O-N 3.3Å |
| 221 | T | 88.6 | Confident | 76.9 | Confident | 36 Ų | 36 | 49.6 Ų | 49.6 | 22% | 0.221 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 130.8 | 175.3 | -52.5 | 0 | 0 | 0 | 0 | 109.2 | V180 | V180-T221 PolarHBondContact N-O 3.16Å; V180-T221 PolarHBondContact O-N 2.95Å |
| 222 | V | 87.7 | Confident | 78.5 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 116.9 | 175.2 | -170.6 | 0 | 0 | 0 | 0 | 108.5 | V149 A167 I177 T178 F179 Q232 S233 | V149-V222 HydrophobicContact CG1-CG2 3.65Å; V149-V222 HydrophobicContact CG2-CB 4.36Å; V149-V222 HydrophobicContact CG2-CG2 4.07Å; A167-V222 HydrophobicContact CB-CG1 4.13Å; I177-V222 HydrophobicContact CG2-CG1 3.67Å; T178-V222 WeakPolarHBondContact O-CA 3.13Å; F179-V222 HydrophobicContact CD1-CB 4.43Å; F179-V222 HydrophobicContact CD1-CG1 4.31Å; F179-V222 HydrophobicContact CD1-CG2 3.62Å; F179-V222 HydrophobicContact CE1-CB 4.34Å; F179-V222 HydrophobicContact CE1-CG1 3.96Å; F179-V222 HydrophobicContact CE1-CG2 3.5Å; F179-V222 VanDerWaalsContact CE1-CG2 3.5Å; F179-V222 HydrophobicContact CZ-CG1 4.24Å; V222-Q232 CarbonylContact O-C 3.59Å; V222-Q232 VanDerWaalsContact O-CA 3.29Å; V222-Q232 WeakPolarHBondContact O-CA 3.31Å; V222-S233 PolarHBondContact N-O 3.49Å; V222-S233 PolarHBondContact O-N 2.9Å |
| 223 | N | 90.1 | Very high | 80.1 | Confident | 33 Ų | 33 | 52.3 Ų | 52.3 | 18% | 0.176 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 130.3 | 176.3 | -71.3 | -15.7 | 0 | 0 | 0 | 109.6 | I177 T178 Q232 | I177-N223 CarbonylContact C-O 3.54Å; I177-N223 WeakPolarHBondContact CA-O 3.36Å; T178-N223 PolarHBondContact N-O 3.06Å; T178-N223 PolarHBondContact O-N 3.3Å; N223-Q232 VanDerWaalsContact OD1-CB 3.27Å; N223-Q232 WeakPolarHBondContact OD1-CB 3.15Å |
| 224 | A | 89.8 | Confident | 81.7 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 124 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | P144 I146 V169 T176 I177 M230 A231 | P144-A224 HydrophobicContact CB-CB 3.85Å; P144-A224 HydrophobicContact CG-CB 4.46Å; I146-A224 HydrophobicContact CD1-CB 4.22Å; I146-A224 HydrophobicContact CG1-CB 4.13Å; V169-A224 HydrophobicContact CG1-CB 3.68Å; V169-A224 HydrophobicContact CG2-CB 4.31Å; T176-A224 WeakPolarHBondContact O-CA 3.42Å; I177-A224 HydrophobicContact CG1-CB 4.48Å; A224-M230 CarbonylContact O-C 3.54Å; A224-M230 VanDerWaalsContact O-CA 3.32Å; A224-M230 WeakPolarHBondContact O-CA 3.36Å; A224-A231 PolarHBondContact N-O 2.91Å; A224-A231 PolarHBondContact O-N 3.01Å |
| 225 | T | 90.6 | Very high | 83.2 | Confident | 44 Ų | 44 | 50.4 Ų | 50.4 | 27% | 0.27 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 138.1 | -174.6 | 55.4 | 0 | 0 | 0 | 0 | 112 | A175 T176 M230 | A175-T225 CarbonylContact C-O 3.53Å; A175-T225 WeakPolarHBondContact CA-O 3.49Å; A175-T225 WeakPolarHBondContact CB-O 3.34Å; T176-T225 PolarHBondContact N-O 3.06Å; T176-T225 PolarHBondContact O-N 3.22Å; T176-T225 PolarHBondContact O-OG1 2.87Å; T225-M230 HydrophobicContact CG2-CB 4.13Å; T225-M230 HydrophobicContact CG2-CE 3.39Å; T225-M230 HydrophobicContact CG2-CG 3.83Å; T225-M230 HydrophobicContact CG2-SD 4.4Å |
| 226 | N | 90.3 | Very high | 84.4 | Confident | 26 Ų | 26 | 49.4 Ų | 49.4 | 14% | 0.139 | 30% | 0.296 | C | S | . | . | trans | -138 | -176.7 | 165.9 | 75.2 | 4 | 0 | 0 | 0 | 110.5 | F142 P144 P173 A175 V228 G229 | F142-N226 PolarHBondContact O-ND2 3.26Å; P144-N226 WeakPolarHBondContact CD-OD1 3.43Å; P144-N226 HydrophobicContact CG-CB 4.14Å; P173-N226 PolarHBondContact O-ND2 2.89Å; A175-N226 HydrophobicContact CB-CB 4.23Å; N226-V228 PolarHBondContact O-N 3.1Å; N226-V228 VanDerWaalsContact O-N 3.09Å; N226-V228 WeakPolarHBondContact OD1-CA 3.43Å; N226-V228 WeakPolarHBondContact OD1-CB 3.45Å; N226-V228 PolarHBondContact OD1-N 3.15Å; N226-G229 PolarHBondContact N-O 3.37Å; N226-G229 PolarHBondContact O-N 3.09Å; N226-G229 PolarHBondContact OD1-N 3.26Å; N226-G229 PolarHBondContact OD1-O 3.28Å | ||
| 227 | S | 89.1 | Confident | 85 | Confident | 101 Ų | 101 | 48.5 Ų | 48.5 | 71% | 0.706 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -65.1 | -8.6 | 179.6 | 58.8 | 0 | 0 | 0 | 0 | 115 | ||
| 228 | V | 90.6 | Very high | 85 | Confident | 39 Ų | 39 | 48 Ų | 48 | 24% | 0.236 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -103.4 | -32.6 | -178.2 | -170.7 | 0 | 0 | 0 | 0 | 111.5 | Q46 Q141 N226 | Q46-V228 HydrophobicContact CG-CG1 4.3Å; Q141-V228 HydrophobicContact CB-CG2 3.98Å; N226-V228 PolarHBondContact O-N 3.1Å; N226-V228 VanDerWaalsContact O-N 3.09Å; N226-V228 WeakPolarHBondContact OD1-CA 3.43Å; N226-V228 WeakPolarHBondContact OD1-CB 3.45Å; N226-V228 PolarHBondContact OD1-N 3.15Å |
| 229 | G | 91.5 | Very high | 84.2 | Confident | 26 Ų | 26 | 54.6 Ų | 54.6 | 27% | 0.268 | 32% | 0.317 | S | S | . | . | trans | 175.9 | -167.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | P144 N226 | P144-G229 WeakPolarHBondContact CD-O 3.48Å; N226-G229 PolarHBondContact N-O 3.37Å; N226-G229 PolarHBondContact O-N 3.09Å; N226-G229 PolarHBondContact OD1-N 3.26Å; N226-G229 PolarHBondContact OD1-O 3.28Å | ||
| 230 | M | 91.9 | Very high | 83 | Confident | 111 Ų | 111 | 54.1 Ų | 54.1 | 55% | 0.547 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 145.7 | -176.3 | 177.4 | -176 | -76 | 0 | 0 | 110.6 | A224 T225 | A224-M230 CarbonylContact O-C 3.54Å; A224-M230 VanDerWaalsContact O-CA 3.32Å; A224-M230 WeakPolarHBondContact O-CA 3.36Å; T225-M230 HydrophobicContact CG2-CB 4.13Å; T225-M230 HydrophobicContact CG2-CE 3.39Å; T225-M230 HydrophobicContact CG2-CG 3.83Å; T225-M230 HydrophobicContact CG2-SD 4.4Å |
| 231 | A | 90.5 | Very high | 81.5 | Confident | 21 Ų | 21 | 58.6 Ų | 58.6 | 17% | 0.174 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 150.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | P144 I146 A224 | P144-A231 HydrophobicContact CB-CB 4.41Å; P144-A231 VanDerWaalsContact O-CB 3.31Å; P144-A231 WeakPolarHBondContact O-CB 3.35Å; I146-A231 HydrophobicContact CD1-CB 4.16Å; I146-A231 HydrophobicContact CG1-CB 4.08Å; A224-A231 PolarHBondContact N-O 2.91Å; A224-A231 PolarHBondContact O-N 3.01Å |
| 232 | Q | 92.2 | Very high | 79.4 | Confident | 142 Ų | 142 | 63.6 Ų | 63.6 | 66% | 0.664 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 147.5 | -180 | 66.4 | -177.2 | 15.8 | 0 | 0 | 110.9 | V222 N223 | V222-Q232 CarbonylContact O-C 3.59Å; V222-Q232 VanDerWaalsContact O-CA 3.29Å; V222-Q232 WeakPolarHBondContact O-CA 3.31Å; N223-Q232 VanDerWaalsContact OD1-CB 3.27Å; N223-Q232 WeakPolarHBondContact OD1-CB 3.15Å |
| 233 | S | 89.3 | Confident | 77.5 | Confident | 39 Ų | 39 | 68.2 Ų | 68.2 | 27% | 0.273 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 144.3 | 177.2 | -170.3 | 0 | 0 | 0 | 0 | 110.8 | V222 | V222-S233 PolarHBondContact N-O 3.49Å; V222-S233 PolarHBondContact O-N 2.9Å |
| 234 | N | 87.9 | Confident | 75.5 | Confident | 113 Ų | 113 | 76.3 Ų | 76.3 | 60% | 0.604 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 140 | -178.6 | -62.6 | -3.1 | 0 | 0 | 0 | 110.4 | ||
| 235 | L | 82.4 | Confident | 73.7 | Confident | 15 Ų | 15 | 81.5 Ų | 81.5 | 8% | 0.079 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 117.8 | 176.2 | 176.3 | 67.4 | 0 | 0 | 0 | 109.1 | V149 A151 L165 N219 L220 L237 | V149-L235 HydrophobicContact CG1-CB 4Å; V149-L235 HydrophobicContact CG1-CD1 4.12Å; V149-L235 HydrophobicContact CG1-CD2 3.93Å; V149-L235 HydrophobicContact CG1-CG 4.24Å; A151-L235 HydrophobicContact CB-CD2 4.16Å; L165-L235 HydrophobicContact CD2-CD2 3.74Å; N219-L235 WeakPolarHBondContact CA-O 3.34Å; L220-L235 HydrophobicContact CB-CB 4.39Å; L220-L235 HydrophobicContact CD2-CD2 4.21Å; L220-L235 PolarHBondContact N-O 2.89Å; L220-L235 PolarHBondContact O-N 3.3Å; L235-L237 HydrophobicContact CD2-CD2 4.19Å; L235-L237 HydrophobicContact CG-CD2 4.33Å |
| 236 | T | 77.4 | Confident | 71.9 | Confident | 81 Ų | 81 | 87.1 Ų | 87.1 | 50% | 0.497 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 113.9 | 178.7 | 53.1 | 0 | 0 | 0 | 0 | 110.3 | N219 A238 | N219-T236 WeakPolarHBondContact OD1-CA 3.46Å; N219-T236 WeakPolarHBondContact OD1-CG2 3.48Å; T236-A238 PolarHBondContact O-N 2.83Å |
| 237 | L | 72.9 | Confident | 70.4 | Confident | 9 Ų | 9 | 89 Ų | 89 | 5% | 0.047 | 48% | 0.483 | C | S | . | . | trans | -83.6 | 11 | 175 | -58.7 | 173.1 | 0 | 0 | 0 | 112.9 | A151 L163 G218 L235 E239 F240 | A151-L237 HydrophobicContact CB-CD2 3.77Å; L163-L237 HydrophobicContact CD2-CD1 4.07Å; L163-L237 HydrophobicContact CD2-CD2 4.14Å; G218-L237 WeakPolarHBondContact O-CB 3.4Å; L235-L237 HydrophobicContact CD2-CD2 4.19Å; L235-L237 HydrophobicContact CG-CD2 4.33Å; L237-E239 PolarHBondContact O-N 2.88Å; L237-F240 WeakPolarHBondContact O-CB 3.48Å; L237-F240 PolarHBondContact O-N 2.85Å | ||
| 238 | A | 58.1 | Low | 69.3 | Low | 69 Ų | 69 | 88.6 Ų | 88.6 | 57% | 0.57 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -64.7 | -38.7 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | T236 F240 | T236-A238 PolarHBondContact O-N 2.83Å; A238-F240 PolarHBondContact O-N 2.86Å |
| 239 | E | 54.6 | Low | 68.6 | Low | 161 Ų | 161 | 92.7 Ų | 92.7 | 75% | 0.752 | 50% | 0.496 | S | S | * | . | G | 310 helix | trans | -66.6 | -20.5 | 178.3 | -62.6 | -171.2 | 144.1 | 0 | 0 | 112.7 | L237 | L237-E239 PolarHBondContact O-N 2.88Š|
| 240 | F | 54.3 | Low | 67.7 | Low | 69 Ų | 69 | 98.2 Ų | 98.2 | 30% | 0.303 | 52% | 0.518 | S | S | . | . | G | 310 helix | trans | -91 | -16.1 | -170.1 | -67 | -78.8 | 0 | 0 | 0 | 114 | A151 Y153 L237 A238 | A151-F240 HydrophobicContact CB-CE2 4.42Å; Y153-F240 HydrophobicContact CD2-CD1 4.05Å; Y153-F240 HydrophobicContact CE2-CB 3.63Å; Y153-F240 AromaticContact CE2-CD1 3.76Å; Y153-F240 HydrophobicContact CE2-CD1 3.76Å; Y153-F240 HydrophobicContact CE2-CG 4.12Å; Y153-F240 PolarHBondContact OH-O 3.12Å; L237-F240 WeakPolarHBondContact O-CB 3.48Å; L237-F240 PolarHBondContact O-N 2.85Å; A238-F240 PolarHBondContact O-N 2.86Å |
| 241 | L | 51.1 | Low | 67 | Low | 96 Ų | 96 | 94.9 Ų | 94.9 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -95.5 | 2.1 | 171.7 | -71.1 | 177.9 | 0 | 0 | 0 | 113.3 | S243 | L241-S243 PolarHBondContact O-N 2.83Š|
| 242 | Q | 44.8 | Very low | 66.7 | Low | 140 Ų | 140 | 98.8 Ų | 98.8 | 65% | 0.654 | 53% | 0.529 | S | S | * | . | trans | -77.1 | 77.5 | 173.5 | -165.4 | 149.1 | 18.8 | 0 | 0 | 109.6 | R244 | Q242-R244 VanDerWaalsContact C-N 3.29Å; Q242-R244 PolarHBondContact O-N 2.91Å | ||
| 243 | S | 47.3 | Very low | 66.4 | Low | 98 Ų | 98 | 96.6 Ų | 96.6 | 69% | 0.685 | 53% | 0.525 | S | S | * | . | trans | -55.5 | 96.7 | 165.6 | 48.8 | 0 | 0 | 0 | 0 | 108.4 | L241 V245 | L241-S243 PolarHBondContact O-N 2.83Å; S243-V245 PolarHBondContact O-N 2.67Å | ||
| 244 | R | 48.6 | Very low | 66.2 | Low | 202 Ų | 202 | 97.7 Ų | 97.7 | 76% | 0.762 | 53% | 0.531 | S | S | * | . | trans | -68.9 | 80.1 | 164 | -68.5 | -171 | -169.6 | -102.8 | -0.8 | 106.8 | Q242 E246 | Q242-R244 VanDerWaalsContact C-N 3.29Å; Q242-R244 PolarHBondContact O-N 2.91Å; R244-E246 HydrophobicContact CB-CG 4.39Å; R244-E246 PolarHBondContact O-N 2.87Å | ||
| 245 | V | 51.6 | Low | 66.2 | Low | 110 Ų | 110 | 93.8 Ų | 93.8 | 67% | 0.667 | 52% | 0.517 | S | S | * | . | trans | -67.4 | 85.6 | 158.4 | -168.1 | 0 | 0 | 0 | 0 | 104.9 | S243 V247 | S243-V245 PolarHBondContact O-N 2.67Å; V245-V247 HydrophobicContact CB-CG2 4.33Å; V245-V247 HydrophobicContact CG1-CG2 3.58Å; V245-V247 PolarHBondContact O-N 3.1Å | ||
| 246 | E | 52.9 | Low | 66.6 | Low | 162 Ų | 162 | 95.1 Ų | 95.1 | 76% | 0.757 | 54% | 0.535 | S | S | * | . | trans | -68.5 | 71.7 | 164.2 | -71.6 | -174.5 | 170.3 | 0 | 0 | 107.2 | R244 P248 | R244-E246 HydrophobicContact CB-CG 4.39Å; R244-E246 PolarHBondContact O-N 2.87Å; E246-P248 WeakPolarHBondContact O-CD 3.16Å; E246-P248 VanDerWaalsContact O-N 3.15Å | ||
| 247 | V | 59.5 | Low | 67.3 | Low | 66 Ų | 66 | 93.8 Ų | 93.8 | 40% | 0.4 | 53% | 0.532 | S | S | . | . | trans | -53.4 | 122.3 | 167 | -175.8 | 0 | 0 | 0 | 0 | 105.1 | V245 M249 I252 | V245-V247 HydrophobicContact CB-CG2 4.33Å; V245-V247 HydrophobicContact CG1-CG2 3.58Å; V245-V247 PolarHBondContact O-N 3.1Å; V247-M249 HydrophobicContact CG1-SD 4.27Å; V247-M249 PolarHBondContact O-N 3.39Å; V247-I252 HydrophobicContact CG1-CD1 3.34Å; V247-I252 HydrophobicContact CG1-CG1 4.42Å | ||
| 248 | P | 67 | Low | 68.3 | Low | 91 Ų | 91 | 99.6 Ų | 99.6 | 59% | 0.591 | 56% | 0.56 | S | S | * | * | trans | -72.7 | 78.8 | -179.4 | 29.1 | -34.3 | 0 | 0 | 0 | 108.2 | E246 L250 G251 I252 | E246-P248 WeakPolarHBondContact O-CD 3.16Å; E246-P248 VanDerWaalsContact O-N 3.15Å; P248-L250 PolarHBondContact O-N 3.01Å; P248-G251 WeakPolarHBondContact O-CA 3.31Å; P248-G251 PolarHBondContact O-N 2.82Å; P248-I252 PolarHBondContact O-N 2.88Å | ||
| 249 | M | 75.4 | Confident | 70 | Confident | 126 Ų | 126 | 98.9 Ų | 98.9 | 62% | 0.621 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -56.1 | -36.6 | -175.6 | -71.9 | -67.2 | -76.4 | 0 | 0 | 110.7 | V247 I252 V253 | V247-M249 HydrophobicContact CG1-SD 4.27Å; V247-M249 PolarHBondContact O-N 3.39Å; M249-I252 PolarHBondContact O-N 3.1Å; M249-V253 VanDerWaalsContact O-CB 3.28Å; M249-V253 WeakPolarHBondContact O-CB 3.33Å; M249-V253 WeakPolarHBondContact O-CG2 3.41Å; M249-V253 PolarHBondContact O-N 2.81Å |
| 250 | L | 73.1 | Confident | 71.9 | Confident | 141 Ų | 141 | 97.4 Ų | 97.4 | 74% | 0.738 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -60.5 | -43.8 | 172.1 | -171.7 | 65.4 | 0 | 0 | 0 | 112 | P248 T254 | P248-L250 PolarHBondContact O-N 3.01Å; L250-T254 HydrophobicContact CD1-CG2 4.11Å; L250-T254 HydrophobicContact CG-CG2 4.38Å; L250-T254 VanDerWaalsContact O-CB 3.27Å; L250-T254 WeakPolarHBondContact O-CB 3.4Å; L250-T254 VanDerWaalsContact O-CG2 3.23Å; L250-T254 WeakPolarHBondContact O-CG2 3.29Å; L250-T254 PolarHBondContact O-N 3.04Å; L250-T254 PolarHBondContact O-OG1 2.78Å |
| 251 | G | 76.4 | Confident | 73.8 | Confident | 41 Ų | 41 | 99.2 Ų | 99.2 | 42% | 0.423 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.6 | -42 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | P248 T254 G255 | P248-G251 WeakPolarHBondContact O-CA 3.31Å; P248-G251 PolarHBondContact O-N 2.82Å; G251-T254 PolarHBondContact O-OG1 2.9Å; G251-G255 PolarHBondContact O-N 3.43Å |
| 252 | I | 83.8 | Confident | 75.8 | Confident | 103 Ų | 103 | 97.5 Ų | 97.5 | 53% | 0.528 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.6 | -45.7 | 176.6 | -61.5 | -175.4 | 0 | 0 | 0 | 111.1 | V247 P248 M249 G256 | V247-I252 HydrophobicContact CG1-CD1 3.34Å; V247-I252 HydrophobicContact CG1-CG1 4.42Å; P248-I252 PolarHBondContact O-N 2.88Å; M249-I252 PolarHBondContact O-N 3.1Å; I252-G256 PolarHBondContact O-N 2.99Å |
| 253 | V | 86.7 | Confident | 78.2 | Confident | 96 Ų | 96 | 96.3 Ų | 96.3 | 58% | 0.582 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.6 | -44.8 | -179.5 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | M249 A257 | M249-V253 VanDerWaalsContact O-CB 3.28Å; M249-V253 WeakPolarHBondContact O-CB 3.33Å; M249-V253 WeakPolarHBondContact O-CG2 3.41Å; M249-V253 PolarHBondContact O-N 2.81Å; V253-A257 WeakPolarHBondContact O-CB 3.31Å; V253-A257 PolarHBondContact O-N 2.91Å |
| 254 | T | 85.2 | Confident | 80.5 | Confident | 63 Ų | 63 | 95.3 Ų | 95.3 | 39% | 0.387 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.9 | -42.6 | 177.4 | 53.8 | 0 | 0 | 0 | 0 | 112.2 | L250 G251 A257 M258 | L250-T254 HydrophobicContact CD1-CG2 4.11Å; L250-T254 HydrophobicContact CG-CG2 4.38Å; L250-T254 VanDerWaalsContact O-CB 3.27Å; L250-T254 WeakPolarHBondContact O-CB 3.4Å; L250-T254 VanDerWaalsContact O-CG2 3.23Å; L250-T254 WeakPolarHBondContact O-CG2 3.29Å; L250-T254 PolarHBondContact O-N 3.04Å; L250-T254 PolarHBondContact O-OG1 2.78Å; G251-T254 PolarHBondContact O-OG1 2.9Å; T254-A257 PolarHBondContact O-N 3.4Å; T254-M258 WeakPolarHBondContact O-CG 3.48Å; T254-M258 PolarHBondContact O-N 2.87Å |
| 255 | G | 87.2 | Confident | 82.7 | Confident | 31 Ų | 31 | 90.2 Ų | 90.2 | 32% | 0.32 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.6 | -46.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G251 M258 A259 | G251-G255 PolarHBondContact O-N 3.43Å; G255-M258 PolarHBondContact O-N 2.93Å; G255-A259 WeakPolarHBondContact O-CB 3.29Å; G255-A259 PolarHBondContact O-N 3.14Å |
| 256 | G | 90.3 | Very high | 84.7 | Confident | 43 Ų | 43 | 90 Ų | 90 | 44% | 0.443 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | I252 A259 F260 | I252-G256 PolarHBondContact O-N 2.99Å; G256-A259 PolarHBondContact O-N 2.82Å; G256-F260 WeakPolarHBondContact O-CB 3.39Å; G256-F260 PolarHBondContact O-N 2.86Å |
| 257 | A | 92.7 | Very high | 86.6 | Confident | 53 Ų | 53 | 85.7 Ų | 85.7 | 44% | 0.438 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V253 T254 F260 M261 | V253-A257 WeakPolarHBondContact O-CB 3.31Å; V253-A257 PolarHBondContact O-N 2.91Å; T254-A257 PolarHBondContact O-N 3.4Å; A257-F260 PolarHBondContact O-N 2.95Å; A257-M261 WeakPolarHBondContact O-CG 3.46Å; A257-M261 PolarHBondContact O-N 2.97Å |
| 258 | M | 93.6 | Very high | 88.1 | Confident | 130 Ų | 130 | 87.7 Ų | 87.7 | 64% | 0.64 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.7 | -43.6 | 176.8 | -74.2 | -172.2 | -71.4 | 0 | 0 | 112.1 | T254 G255 M261 A262 | T254-M258 WeakPolarHBondContact O-CG 3.48Å; T254-M258 PolarHBondContact O-N 2.87Å; G255-M258 PolarHBondContact O-N 2.93Å; M258-M261 PolarHBondContact O-N 3.5Å; M258-A262 PolarHBondContact O-N 2.83Å |
| 259 | A | 93.6 | Very high | 89.3 | Confident | 55 Ų | 55 | 87.5 Ų | 87.5 | 46% | 0.455 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G255 G256 A262 L263 | G255-A259 WeakPolarHBondContact O-CB 3.29Å; G255-A259 PolarHBondContact O-N 3.14Å; G256-A259 PolarHBondContact O-N 2.82Å; A259-A262 PolarHBondContact O-N 3.16Å; A259-L263 WeakPolarHBondContact O-CG 3.15Å; A259-L263 PolarHBondContact O-N 2.82Å; A259-L263 VanDerWaalsContact O-N 3.08Å |
| 260 | F | 94.8 | Very high | 90 | Very high | 129 Ų | 129 | 85.3 Ų | 85.3 | 57% | 0.566 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.3 | -43.2 | 178 | -171.8 | -105.4 | 0 | 0 | 0 | 112.4 | G256 A257 A262 L263 L264 | G256-F260 WeakPolarHBondContact O-CB 3.39Å; G256-F260 PolarHBondContact O-N 2.86Å; A257-F260 PolarHBondContact O-N 2.95Å; F260-A262 PolarHBondContact O-N 2.93Å; F260-L263 PolarHBondContact O-N 2.87Å; F260-L264 HydrophobicContact CD1-CD1 3.97Å; F260-L264 HydrophobicContact CD1-CG 4.38Å; F260-L264 HydrophobicContact CE1-CD1 3.62Å; F260-L264 HydrophobicContact CE1-CD2 4.5Å; F260-L264 HydrophobicContact CE1-CG 4.11Å; F260-L264 HydrophobicContact CZ-CD1 4.31Å; F260-L264 HydrophobicContact CZ-CD2 4.4Å; F260-L264 HydrophobicContact CZ-CG 4.41Å; F260-L264 PolarHBondContact O-N 2.76Å |
| 261 | M | 94.3 | Very high | 90.7 | Very high | 108 Ų | 108 | 83 Ų | 83 | 53% | 0.532 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.2 | -40 | 176 | -70.7 | -58.8 | -64.2 | 0 | 0 | 112.3 | A257 M258 L263 L264 I265 | A257-M261 WeakPolarHBondContact O-CG 3.46Å; A257-M261 PolarHBondContact O-N 2.97Å; M258-M261 PolarHBondContact O-N 3.5Å; M261-L263 VanDerWaalsContact C-N 3.35Å; M261-L263 PolarHBondContact O-N 2.89Å; M261-L264 PolarHBondContact O-N 2.78Å; M261-L264 HydrophobicContact SD-CD1 4.24Å; M261-I265 VanDerWaalsContact O-CG1 3.31Å; M261-I265 WeakPolarHBondContact O-CG1 3.24Å; M261-I265 PolarHBondContact O-N 2.91Å |
| 262 | A | 93.8 | Very high | 91 | Very high | 60 Ų | 60 | 84.7 Ų | 84.7 | 50% | 0.496 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.1 | -41 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | M258 A259 F260 I265 L266 | M258-A262 PolarHBondContact O-N 2.83Å; A259-A262 PolarHBondContact O-N 3.16Å; F260-A262 PolarHBondContact O-N 2.93Å; A262-I265 PolarHBondContact O-N 3.09Å; A262-L266 WeakPolarHBondContact O-CB 3.29Å; A262-L266 PolarHBondContact O-N 2.9Å |
| 263 | L | 95.3 | Very high | 91 | Very high | 114 Ų | 114 | 84.4 Ų | 84.4 | 60% | 0.597 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65 | -40.1 | 175.9 | -71.3 | 170.8 | 0 | 0 | 0 | 112.6 | A259 F260 M261 L266 S267 | A259-L263 WeakPolarHBondContact O-CG 3.15Å; A259-L263 PolarHBondContact O-N 2.82Å; A259-L263 VanDerWaalsContact O-N 3.08Å; F260-L263 PolarHBondContact O-N 2.87Å; M261-L263 VanDerWaalsContact C-N 3.35Å; M261-L263 PolarHBondContact O-N 2.89Å; L263-L266 PolarHBondContact O-N 3.29Å; L263-S267 WeakPolarHBondContact O-CB 3.4Å; L263-S267 PolarHBondContact O-N 2.82Å |
| 264 | L | 95.4 | Very high | 90.8 | Very high | 77 Ų | 77 | 85.1 Ų | 85.1 | 40% | 0.403 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 174.5 | -71.7 | 179 | 0 | 0 | 0 | 111.9 | F260 M261 S267 L268 | F260-L264 HydrophobicContact CD1-CD1 3.97Å; F260-L264 HydrophobicContact CD1-CG 4.38Å; F260-L264 HydrophobicContact CE1-CD1 3.62Å; F260-L264 HydrophobicContact CE1-CD2 4.5Å; F260-L264 HydrophobicContact CE1-CG 4.11Å; F260-L264 HydrophobicContact CZ-CD1 4.31Å; F260-L264 HydrophobicContact CZ-CD2 4.4Å; F260-L264 HydrophobicContact CZ-CG 4.41Å; F260-L264 PolarHBondContact O-N 2.76Å; M261-L264 PolarHBondContact O-N 2.78Å; M261-L264 HydrophobicContact SD-CD1 4.24Å; L264-S267 PolarHBondContact O-N 2.77Å; L264-L268 WeakPolarHBondContact O-CG 3.3Å; L264-L268 PolarHBondContact O-N 2.86Å |
| 265 | I | 94 | Very high | 90.2 | Very high | 96 Ų | 96 | 88 Ų | 88 | 49% | 0.492 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.8 | -45 | 177.2 | -67.7 | 163.9 | 0 | 0 | 0 | 110.5 | M261 A262 S267 L268 I269 | M261-I265 VanDerWaalsContact O-CG1 3.31Å; M261-I265 WeakPolarHBondContact O-CG1 3.24Å; M261-I265 PolarHBondContact O-N 2.91Å; A262-I265 PolarHBondContact O-N 3.09Å; I265-S267 PolarHBondContact O-N 3.44Å; I265-L268 PolarHBondContact O-N 3.03Å; I265-I269 HydrophobicContact CG2-CD1 3.85Å; I265-I269 VanDerWaalsContact O-CG1 3.3Å; I265-I269 WeakPolarHBondContact O-CG1 3.35Å; I265-I269 PolarHBondContact O-N 3.41Å |
| 266 | L | 94.1 | Very high | 89.2 | Confident | 106 Ų | 106 | 93.1 Ų | 93.1 | 56% | 0.555 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.2 | -42.6 | 177.7 | -168.9 | 70.6 | 0 | 0 | 0 | 111.9 | A262 L263 I269 V270 | A262-L266 WeakPolarHBondContact O-CB 3.29Å; A262-L266 PolarHBondContact O-N 2.9Å; L263-L266 PolarHBondContact O-N 3.29Å; L266-I269 PolarHBondContact O-N 2.86Å; L266-V270 WeakPolarHBondContact O-CG2 3.01Å; L266-V270 PolarHBondContact O-N 3.13Å |
| 267 | S | 92.1 | Very high | 87.8 | Confident | 70 Ų | 70 | 96.8 Ų | 96.8 | 49% | 0.49 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.8 | -44.2 | 175.9 | -174 | 0 | 0 | 0 | 0 | 112.2 | L263 L264 I265 V270 L271 | L263-S267 WeakPolarHBondContact O-CB 3.4Å; L263-S267 PolarHBondContact O-N 2.82Å; L264-S267 PolarHBondContact O-N 2.77Å; I265-S267 PolarHBondContact O-N 3.44Å; S267-V270 PolarHBondContact O-N 3.06Å; S267-L271 PolarHBondContact O-N 2.77Å |
| 268 | L | 92.6 | Very high | 86.1 | Confident | 109 Ų | 109 | 102.2 Ų | 102.2 | 57% | 0.571 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.9 | -42.4 | 175 | -72.2 | 169.8 | 0 | 0 | 0 | 112.1 | L264 I265 V270 L271 C272 | L264-L268 WeakPolarHBondContact O-CG 3.3Å; L264-L268 PolarHBondContact O-N 2.86Å; I265-L268 PolarHBondContact O-N 3.03Å; L268-V270 VanDerWaalsContact C-N 3.34Å; L268-V270 PolarHBondContact O-N 2.81Å; L268-L271 WeakPolarHBondContact O-CB 3.47Å; L268-L271 PolarHBondContact O-N 2.93Å; L268-C272 PolarHBondContact O-N 3.48Å; L268-C272 PolarHBondContact O-SG 3.11Å; L268-C272 VanDerWaalsContact O-SG 3.33Å |
| 269 | I | 91 | Very high | 84.3 | Confident | 87 Ų | 87 | 100.4 Ų | 100.4 | 45% | 0.446 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.8 | -44.8 | 175.6 | -69.6 | 164.5 | 0 | 0 | 0 | 110.7 | I265 L266 L271 C272 L273 | I265-I269 HydrophobicContact CG2-CD1 3.85Å; I265-I269 VanDerWaalsContact O-CG1 3.3Å; I265-I269 WeakPolarHBondContact O-CG1 3.35Å; I265-I269 PolarHBondContact O-N 3.41Å; L266-I269 PolarHBondContact O-N 2.86Å; I269-L271 PolarHBondContact O-N 2.9Å; I269-C272 PolarHBondContact O-N 3.16Å; I269-L273 HydrophobicContact CG2-CD1 3.97Å; I269-L273 HydrophobicContact CG2-CG 4.43Å; I269-L273 VanDerWaalsContact O-CG 3.3Å; I269-L273 WeakPolarHBondContact O-CG 3.01Å; I269-L273 PolarHBondContact O-N 2.94Å |
| 270 | V | 90.4 | Very high | 82.3 | Confident | 79 Ų | 79 | 106.6 Ų | 106.6 | 48% | 0.479 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.5 | -43 | 175.5 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | L266 S267 L268 C272 L273 M274 | L266-V270 WeakPolarHBondContact O-CG2 3.01Å; L266-V270 PolarHBondContact O-N 3.13Å; S267-V270 PolarHBondContact O-N 3.06Å; L268-V270 VanDerWaalsContact C-N 3.34Å; L268-V270 PolarHBondContact O-N 2.81Å; V270-C272 PolarHBondContact O-N 2.95Å; V270-L273 PolarHBondContact O-N 2.9Å; V270-M274 WeakPolarHBondContact O-CB 3.48Å; V270-M274 WeakPolarHBondContact O-CG 3.4Å; V270-M274 PolarHBondContact O-N 2.95Å |
| 271 | L | 87.5 | Confident | 80.1 | Confident | 94 Ų | 94 | 107.5 Ų | 107.5 | 49% | 0.492 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -59.7 | -46 | 175.2 | -121.3 | 77.9 | 0 | 0 | 0 | 112.2 | S267 L268 I269 M274 Q275 | S267-L271 PolarHBondContact O-N 2.77Å; L268-L271 WeakPolarHBondContact O-CB 3.47Å; L268-L271 PolarHBondContact O-N 2.93Å; I269-L271 PolarHBondContact O-N 2.9Å; L271-M274 PolarHBondContact O-N 2.95Å; L271-Q275 WeakPolarHBondContact O-CG 3.43Å; L271-Q275 PolarHBondContact O-N 2.84Å |
| 272 | C | 83.8 | Confident | 77.8 | Confident | 76 Ų | 76 | 110 Ų | 110 | 51% | 0.514 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.9 | -39.3 | 178.4 | -69.4 | 0 | 0 | 0 | 0 | 112.4 | L268 I269 V270 Q275 K276 | L268-C272 PolarHBondContact O-N 3.48Å; L268-C272 PolarHBondContact O-SG 3.11Å; L268-C272 VanDerWaalsContact O-SG 3.33Å; I269-C272 PolarHBondContact O-N 3.16Å; V270-C272 PolarHBondContact O-N 2.95Å; C272-Q275 PolarHBondContact O-N 2.82Å; C272-K276 VanDerWaalsContact O-CB 3.3Å; C272-K276 WeakPolarHBondContact O-CB 3.49Å; C272-K276 PolarHBondContact O-N 2.91Å |
| 273 | L | 83.8 | Confident | 75.1 | Confident | 97 Ų | 97 | 115.1 Ų | 115.1 | 51% | 0.508 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -64.3 | -41.1 | 174.2 | -70.8 | 170.9 | 0 | 0 | 0 | 111.5 | I269 V270 K276 N277 | I269-L273 HydrophobicContact CG2-CD1 3.97Å; I269-L273 HydrophobicContact CG2-CG 4.43Å; I269-L273 VanDerWaalsContact O-CG 3.3Å; I269-L273 WeakPolarHBondContact O-CG 3.01Å; I269-L273 PolarHBondContact O-N 2.94Å; V270-L273 PolarHBondContact O-N 2.9Å; L273-K276 PolarHBondContact O-N 3.05Å; L273-N277 PolarHBondContact O-N 2.87Å |
| 274 | M | 81.3 | Confident | 72.3 | Confident | 110 Ų | 110 | 117.4 Ų | 117.4 | 54% | 0.542 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.7 | -35 | 175.4 | -73 | -56.2 | -56.1 | 0 | 0 | 113.2 | V270 L271 | V270-M274 WeakPolarHBondContact O-CB 3.48Å; V270-M274 WeakPolarHBondContact O-CG 3.4Å; V270-M274 PolarHBondContact O-N 2.95Å; L271-M274 PolarHBondContact O-N 2.95Å |
| 275 | Q | 73.1 | Confident | 69.8 | Low | 124 Ų | 124 | 119.8 Ų | 119.8 | 58% | 0.579 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -71.8 | -41.5 | 174 | -73.7 | 177.9 | -6.6 | 0 | 0 | 112.2 | L271 C272 N277 K278 S279 | L271-Q275 WeakPolarHBondContact O-CG 3.43Å; L271-Q275 PolarHBondContact O-N 2.84Å; C272-Q275 PolarHBondContact O-N 2.82Å; Q275-N277 PolarHBondContact O-N 2.84Å; Q275-K278 WeakPolarHBondContact O-CA 3.28Å; Q275-K278 WeakPolarHBondContact O-CB 3.43Å; Q275-K278 PolarHBondContact O-N 3.47Å; Q275-S279 PolarHBondContact O-N 2.86Å; Q275-S279 VanDerWaalsContact O-N 3.09Å |
| 276 | K | 66.8 | Low | 66.8 | Low | 139 Ų | 139 | 120.6 Ų | 120.6 | 60% | 0.604 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -61.9 | -26.9 | 176.8 | -175.4 | 173.4 | 178 | 176.5 | 0 | 113.3 | C272 L273 S279 | C272-K276 VanDerWaalsContact O-CB 3.3Å; C272-K276 WeakPolarHBondContact O-CB 3.49Å; C272-K276 PolarHBondContact O-N 2.91Å; L273-K276 PolarHBondContact O-N 3.05Å; K276-S279 PolarHBondContact O-OG 2.85Å |
| 277 | N | 59.7 | Low | 64 | Low | 120 Ų | 120 | 123.4 Ų | 123.4 | 64% | 0.642 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -17.1 | 171.7 | -77.1 | -6.4 | 0 | 0 | 0 | 113.8 | L273 Q275 | L273-N277 PolarHBondContact O-N 2.87Å; Q275-N277 PolarHBondContact O-N 2.84Å |
| 278 | K | 57.9 | Low | 61.3 | Low | 166 Ų | 166 | 126.4 Ų | 126.4 | 72% | 0.722 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -28.7 | 173.5 | -69.3 | -175.8 | 177.1 | -173.9 | 0 | 112.9 | Q275 K280 | Q275-K278 WeakPolarHBondContact O-CA 3.28Å; Q275-K278 WeakPolarHBondContact O-CB 3.43Å; Q275-K278 PolarHBondContact O-N 3.47Å; K278-K280 PolarHBondContact O-N 2.9Å |
| 279 | S | 55.4 | Low | 58.1 | Low | 93 Ų | 93 | 128.5 Ų | 128.5 | 65% | 0.65 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | 37.4 | -177.6 | 69.7 | 0 | 0 | 0 | 0 | 114.5 | Q275 K276 | Q275-S279 PolarHBondContact O-N 2.86Å; Q275-S279 VanDerWaalsContact O-N 3.09Å; K276-S279 PolarHBondContact O-OG 2.85Å |
| 280 | K | 51.3 | Low | 55.3 | Low | 184 Ų | 184 | 132.1 Ų | 132.1 | 80% | 0.8 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.1 | 10.2 | -177.6 | -90 | -163.7 | 173.4 | -168.5 | 0 | 114.8 | K278 | K278-K280 PolarHBondContact O-N 2.9Š|
| 281 | I | 49.3 | Very low | 52.4 | Low | 148 Ų | 148 | 135.6 Ų | 135.6 | 76% | 0.759 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -120.9 | -4.1 | -170.4 | -64.6 | -179.9 | 0 | 0 | 0 | 113.3 | ||
| 282 | I | 46.1 | Very low | 49.6 | Very low | 160 Ų | 160 | 140.4 Ų | 140.4 | 82% | 0.821 | 72% | 0.721 | S | S | * | * | trans | -127.6 | 93 | -178.8 | -52.5 | 179.1 | 0 | 0 | 0 | 109.8 | ||||
| 283 | D | 35.5 | Very low | 46.9 | Very low | 169 Ų | 169 | 145.2 Ų | 145.2 | 90% | 0.904 | 73% | 0.733 | S | S | * | * | trans | -133.3 | 92.6 | 163.2 | -106.3 | -28.3 | 0 | 0 | 0 | 107.6 | ||||
| 284 | E | 37.6 | Very low | 44.6 | Very low | 161 Ų | 161 | 145 Ų | 145 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | trans | -166.9 | 129.9 | 143.9 | -164.5 | 156.1 | -155 | 0 | 0 | 108.4 | ||||
| 285 | P | 42.9 | Very low | 42.3 | Very low | 127 Ų | 127 | 147.1 Ų | 147.1 | 83% | 0.825 | 75% | 0.749 | S | S | * | * | -138.6 | 155.1 | 121.5 | 36.2 | -24.2 | 0 | 0 | 0 | 114.5 | |||||
| 286 | V | 30.8 | Very low | 40.6 | Very low | 114 Ų | 114 | 146.4 Ų | 146.4 | 69% | 0.691 | 76% | 0.758 | S | S | * | * | trans | -71.8 | 146.4 | -174.4 | 170.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 287 | E | 34.1 | Very low | 39.3 | Very low | 165 Ų | 165 | 144.3 Ų | 144.3 | 77% | 0.771 | 77% | 0.766 | S | S | * | * | trans | -0.8 | 150.7 | 147.4 | -66.5 | -172.2 | 155.9 | 0 | 0 | 119.5 | ||||
| 288 | I | 35.8 | Very low | 38.1 | Very low | 132 Ų | 132 | 143.3 Ų | 143.3 | 68% | 0.677 | 77% | 0.769 | S | S | * | * | cis | -165.3 | 156.1 | 15.6 | -117 | 157.9 | 0 | 0 | 0 | 109.3 | ||||
| 289 | L | 26.2 | Very low | 36.7 | Very low | 154 Ų | 154 | 143.7 Ų | 143.7 | 81% | 0.806 | 78% | 0.777 | S | S | * | * | trans | 139.1 | 108.8 | 133.3 | -154.9 | 73.7 | 0 | 0 | 0 | 117.3 | ||||
| 290 | M | 33 | Very low | 35.8 | Very low | 162 Ų | 162 | 147.9 Ų | 147.9 | 80% | 0.798 | 78% | 0.784 | S | S | * | * | trans | -0.8 | 136.2 | 152.3 | -58.3 | -67.9 | -169.7 | 0 | 0 | 121.2 | ||||
| 291 | T | 28.6 | Very low | 34.8 | Very low | 153 Ų | 153 | 145.6 Ų | 145.6 | 94% | 0.939 | 79% | 0.786 | S | S | * | * | -154.9 | 169.5 | 111.8 | 12.2 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 292 | K | 29 | Very low | 34 | Very low | 195 Ų | 195 | 145.5 Ų | 145.5 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | trans | -136.3 | 161.3 | -147.3 | 176.7 | -177.5 | 178.4 | -179.7 | 0 | 112.5 | ||||
| 293 | K | 27.7 | Very low | 33.3 | Very low | 176 Ų | 176 | 149 Ų | 149 | 77% | 0.765 | 79% | 0.789 | S | S | * | * | trans | 108 | 108.2 | 156.4 | -153.2 | 171.8 | -174.5 | -176.6 | 0 | 113.8 | ||||
| 294 | S | 35.4 | Very low | 33.1 | Very low | 93 Ų | 93 | 145.3 Ų | 145.3 | 65% | 0.65 | 78% | 0.783 | S | S | * | * | 73.1 | 150 | 73 | -43.8 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 295 | E | 33.1 | Very low | 32.9 | Very low | 154 Ų | 154 | 144 Ų | 144 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | cis | -168 | 150.7 | 15.4 | -143.8 | 159.2 | 148.6 | 0 | 0 | 112.8 | ||||
| 296 | S | 37.6 | Very low | 32.4 | Very low | 110 Ų | 110 | 146 Ų | 146 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | 53 | 170 | 144.5 | 64.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 297 | A | 38.4 | Very low | 32.8 | Very low | 94 Ų | 94 | 146.2 Ų | 146.2 | 78% | 0.777 | 78% | 0.778 | S | S | * | * | cis | -172.8 | -169.9 | -43.5 | 0 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 298 | S | 33.9 | Very low | 32.6 | Very low | 100 Ų | 100 | 146.2 Ų | 146.2 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | cis | -165.1 | 154.4 | -7.8 | 53.2 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 299 | L | 29.9 | Very low | 33.3 | Very low | 173 Ų | 173 | 147.6 Ų | 147.6 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | trans | -171.5 | 159.7 | 132.1 | -105.2 | 155.9 | 0 | 0 | 0 | 113.9 | ||||
| 300 | K | 35.9 | Very low | 34.2 | Very low | 182 Ų | 182 | 146 Ų | 146 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | -111 | 166.4 | -163.7 | -67.1 | 174.2 | 172.9 | 177.9 | 0 | 113 | ||||
| 301 | T | 30.7 | Very low | 34.1 | Very low | 136 Ų | 136 | 148 Ų | 148 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | 132.9 | 149.3 | 128.2 | 55.9 | 0 | 0 | 0 | 0 | 113 | |||||
| 302 | D | 32.9 | Very low | 34.4 | Very low | 145 Ų | 145 | 146.6 Ų | 146.6 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | cis | -168.3 | 158.9 | -30.2 | -170.6 | 16.8 | 0 | 0 | 0 | 108.1 | ||||
| 303 | R | 29.5 | Very low | 34.4 | Very low | 233 Ų | 233 | 143.2 Ų | 143.2 | 88% | 0.879 | 76% | 0.762 | S | S | * | * | trans | 127.6 | 132 | 155.3 | -70.8 | -174.4 | 174.7 | -168.2 | -1.2 | 118.2 | ||||
| 304 | A | 33.3 | Very low | 34.8 | Very low | 92 Ų | 92 | 142.4 Ų | 142.4 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | trans | -80.5 | -178.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 305 | D | 32.1 | Very low | 34.8 | Very low | 135 Ų | 135 | 143.6 Ų | 143.6 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | cis | -159 | -172.9 | 41.4 | -152.7 | -0.9 | 0 | 0 | 0 | 114.8 | ||||
| 306 | K | 32.9 | Very low | 35.1 | Very low | 168 Ų | 168 | 143.4 Ų | 143.4 | 73% | 0.73 | 77% | 0.774 | S | S | * | * | trans | -84.4 | 157.2 | -152 | -64.8 | 147.4 | -174.9 | 158.9 | 0 | 120.5 | ||||
| 307 | T | 39 | Very low | 35.3 | Very low | 119 Ų | 119 | 143.7 Ų | 143.7 | 73% | 0.73 | 77% | 0.773 | S | S | * | * | trans | 29.5 | 130.1 | 140.2 | 64 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 308 | N | 29 | Very low | 35.4 | Very low | 165 Ų | 165 | 143 Ų | 143 | 88% | 0.882 | 76% | 0.763 | S | S | * | * | -171.7 | 160.6 | 122 | -93.6 | -40.2 | 0 | 0 | 0 | 111.8 | |||||
| 309 | I | 50.9 | Low | 35.6 | Very low | 161 Ų | 161 | 146.1 Ų | 146.1 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | trans | -130.3 | 133.7 | -176 | -65.7 | 167.5 | 0 | 0 | 0 | 107.2 | ||||
| 310 | P | 44.4 | Very low | 35.7 | Very low | 119 Ų | 119 | 147 Ų | 147 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | -163.1 | 154.1 | 101 | 42.7 | -21.2 | 0 | 0 | 0 | 120.7 | |||||
| 311 | R | 32.3 | Very low | 35.8 | Very low | 206 Ų | 206 | 146.1 Ų | 146.1 | 78% | 0.777 | 77% | 0.772 | S | S | * | * | trans | 51.2 | 129.1 | 136.3 | -115.5 | -179.6 | 157.5 | 163.1 | -14.1 | 125.3 | ||||
| 312 | E | 34.5 | Very low | 36.1 | Very low | 123 Ų | 123 | 147.7 Ų | 147.7 | 58% | 0.575 | 78% | 0.775 | S | S | * | * | 86.4 | 142.9 | 124.7 | -108.5 | 171.4 | -143.8 | 0 | 0 | 125.2 | |||||
| 313 | N | 29.8 | Very low | 36.1 | Very low | 123 Ų | 123 | 148.1 Ų | 148.1 | 66% | 0.658 | 77% | 0.772 | S | S | * | * | trans | 73.7 | 145.2 | 153.8 | -61.3 | -31.4 | 0 | 0 | 0 | 119 | ||||
| 314 | M | 34.8 | Very low | 36.5 | Very low | 160 Ų | 160 | 141.2 Ų | 141.2 | 79% | 0.788 | 75% | 0.752 | S | S | * | * | cis | -164.2 | 153.9 | -6 | -119.3 | 162.6 | 66.7 | 0 | 0 | 110.6 | ||||
| 315 | S | 35.1 | Very low | 37 | Very low | 117 Ų | 117 | 143.5 Ų | 143.5 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | 153.5 | 144 | 124.2 | 63 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 316 | L | 39.9 | Very low | 37.5 | Very low | 151 Ų | 151 | 139.8 Ų | 139.8 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | trans | -101.1 | 161.6 | 164.2 | -83 | 161.7 | 0 | 0 | 0 | 108.8 | ||||
| 317 | P | 42.3 | Very low | 37.9 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 75% | 0.747 | 73% | 0.729 | S | S | * | * | -128 | 139.6 | 91.4 | 35.9 | -27.9 | 0 | 0 | 0 | 111.2 | |||||
| 318 | S | 40.5 | Very low | 37.9 | Very low | 80 Ų | 80 | 136.7 Ų | 136.7 | 56% | 0.559 | 73% | 0.725 | S | S | * | * | cis | 62.8 | 102.8 | 43.6 | 81.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 319 | N | 37.4 | Very low | 38.6 | Very low | 166 Ų | 166 | 137.2 Ų | 137.2 | 89% | 0.888 | 72% | 0.715 | S | S | * | * | trans | -179 | 67.8 | 151.2 | -90 | -17.8 | 0 | 0 | 0 | 112.7 | ||||
| 320 | M | 33.1 | Very low | 38.3 | Very low | 190 Ų | 190 | 137 Ų | 137 | 94% | 0.936 | 71% | 0.708 | S | S | * | * | trans | -150.1 | 110 | 142.4 | -153.3 | 168 | -163.8 | 0 | 0 | 108.1 | L322 | M320-L322 PolarHBondContact O-N 3.03Š| ||
| 321 | Q | 37.4 | Very low | 38.2 | Very low | 164 Ų | 164 | 134.5 Ų | 134.5 | 77% | 0.766 | 70% | 0.697 | S | S | * | * | trans | -72.7 | 111.6 | -177.5 | -72.6 | 174.2 | -13.4 | 0 | 0 | 109.2 | H323 | Q321-H323 PolarHBondContact O-N 3.13Š| ||
| 322 | L | 37.2 | Very low | 38.8 | Very low | 170 Ų | 170 | 133.8 Ų | 133.8 | 89% | 0.89 | 70% | 0.695 | S | S | * | * | trans | -73.7 | 73.4 | 163.9 | -167.7 | 79.6 | 0 | 0 | 0 | 108.3 | M320 D324 | M320-L322 PolarHBondContact O-N 3.03Å; L322-D324 PolarHBondContact O-N 2.99Å; L322-D324 VanDerWaalsContact O-N 3.08Å | ||
| 323 | H | 33.6 | Very low | 39.3 | Very low | 153 Ų | 153 | 132.4 Ų | 132.4 | 71% | 0.708 | 69% | 0.688 | S | S | * | * | trans | -78 | 100 | -178.2 | -131.4 | -61.8 | 0 | 0 | 0 | 110.5 | Q321 | Q321-H323 PolarHBondContact O-N 3.13Š| ||
| 324 | D | 37.6 | Very low | 40 | Very low | 89 Ų | 89 | 129 Ų | 129 | 48% | 0.476 | 68% | 0.677 | S | S | . | * | trans | 71.6 | 101.9 | 145.9 | -152.1 | 6.3 | 0 | 0 | 0 | 119.2 | L322 S326 T327 | L322-D324 PolarHBondContact O-N 2.99Å; L322-D324 VanDerWaalsContact O-N 3.08Å; D324-S326 VanDerWaalsContact CG-CB 3.46Å; D324-S326 PolarHBondContact O-N 3.39Å; D324-S326 VanDerWaalsContact O-N 3.09Å; D324-S326 VanDerWaalsContact OD1-CB 3.22Å; D324-S326 WeakPolarHBondContact OD1-CB 3.21Å; D324-S326 PolarHBondContact OD1-N 2.83Å; D324-S326 VanDerWaalsContact OD1-N 3.08Å; D324-S326 PolarHBondContact OD1-OG 3.03Å; D324-S326 VanDerWaalsContact OD2-CB 3.31Å; D324-S326 WeakPolarHBondContact OD2-CB 3.43Å; D324-S326 PolarHBondContact OD2-OG 2.71Å; D324-T327 PolarHBondContact O-OG1 2.94Å | ||
| 325 | L | 43 | Very low | 40.5 | Very low | 140 Ų | 140 | 124.7 Ų | 124.7 | 73% | 0.733 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | 1.6 | 166.7 | -78.6 | 163.3 | 0 | 0 | 0 | 113.7 | T327 L328 | L325-T327 VanDerWaalsContact C-N 3.26Å; L325-T327 PolarHBondContact O-N 2.8Å; L325-L328 HydrophobicContact CD2-CD1 4.22Å |
| 326 | S | 42.5 | Very low | 41 | Very low | 56 Ų | 56 | 126.3 Ų | 126.3 | 39% | 0.392 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -64.7 | -25.9 | 174.3 | 74.1 | 0 | 0 | 0 | 0 | 114.1 | D324 K330 | D324-S326 VanDerWaalsContact CG-CB 3.46Å; D324-S326 PolarHBondContact O-N 3.39Å; D324-S326 VanDerWaalsContact O-N 3.09Å; D324-S326 VanDerWaalsContact OD1-CB 3.22Å; D324-S326 WeakPolarHBondContact OD1-CB 3.21Å; D324-S326 PolarHBondContact OD1-N 2.83Å; D324-S326 VanDerWaalsContact OD1-N 3.08Å; D324-S326 PolarHBondContact OD1-OG 3.03Å; D324-S326 VanDerWaalsContact OD2-CB 3.31Å; D324-S326 WeakPolarHBondContact OD2-CB 3.43Å; D324-S326 PolarHBondContact OD2-OG 2.71Å; S326-K330 PolarHBondContact O-N 3.45Å |
| 327 | T | 42.3 | Very low | 41.3 | Very low | 96 Ų | 96 | 127 Ų | 127 | 59% | 0.589 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -70.3 | -37.7 | -178.9 | 51.1 | 0 | 0 | 0 | 0 | 112.9 | D324 L325 R329 K330 A331 | D324-T327 PolarHBondContact O-OG1 2.94Å; L325-T327 VanDerWaalsContact C-N 3.26Å; L325-T327 PolarHBondContact O-N 2.8Å; T327-R329 PolarHBondContact O-N 3.49Å; T327-K330 PolarHBondContact O-N 2.03Å; T327-A331 PolarHBondContact O-N 2.97Å |
| 328 | L | 39.2 | Very low | 41.3 | Very low | 126 Ų | 126 | 128.2 Ų | 128.2 | 66% | 0.66 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -64.4 | -26.1 | -179.1 | -124 | 169.4 | 0 | 0 | 0 | 112.9 | L325 | L325-L328 HydrophobicContact CD2-CD1 4.22Å |
| 329 | R | 42.7 | Very low | 41.3 | Very low | 176 Ų | 176 | 129.3 Ų | 129.3 | 66% | 0.664 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -83.5 | -42.9 | 174.5 | -174.6 | 171.8 | 168.5 | 178.4 | -5.6 | 112.3 | T327 R332 E333 | T327-R329 PolarHBondContact O-N 3.49Å; R329-R332 PolarHBondContact O-N 2.92Å; R329-E333 WeakPolarHBondContact CG-OE1 3.29Å; R329-E333 IonicContact CZ-OE1 3.45Å; R329-E333 IonicContact NE-OE1 2.78Å; R329-E333 PolarHBondContact NE-OE1 3.08Å; R329-E333 IonicContact NH2-OE1 3.2Å; R329-E333 PolarHBondContact NH2-OE1 2.9Å; R329-E333 WeakPolarHBondContact O-CG 3.43Å; R329-E333 PolarHBondContact O-N 3.02Å |
| 330 | K | 45.5 | Very low | 41.7 | Very low | 158 Ų | 158 | 130.2 Ų | 130.2 | 69% | 0.687 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -66.3 | -37.7 | 178.3 | -92.2 | -176.6 | 172.5 | 179.3 | 0 | 113.6 | S326 T327 R332 E333 A334 | S326-K330 PolarHBondContact O-N 3.45Å; T327-K330 PolarHBondContact O-N 2.03Å; K330-R332 VanDerWaalsContact C-N 3.32Å; K330-R332 PolarHBondContact O-N 2.93Å; K330-E333 PolarHBondContact O-N 2.89Å; K330-A334 WeakPolarHBondContact O-CB 3.42Å; K330-A334 PolarHBondContact O-N 3.31Å |
| 331 | A | 42 | Very low | 42.2 | Very low | 66 Ų | 66 | 124.1 Ų | 124.1 | 55% | 0.545 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -63.6 | -38.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | T327 A335 | T327-A331 PolarHBondContact O-N 2.97Å; A331-A335 WeakPolarHBondContact O-CB 3.33Å; A331-A335 PolarHBondContact O-N 3.27Å |
| 332 | R | 44.2 | Very low | 42.2 | Very low | 191 Ų | 191 | 126 Ų | 126 | 72% | 0.721 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -71.3 | -39.5 | 178.4 | -164.5 | 173.1 | -171.3 | 161.4 | 4.3 | 112.7 | R329 K330 Q336 | R329-R332 PolarHBondContact O-N 2.92Å; K330-R332 VanDerWaalsContact C-N 3.32Å; K330-R332 PolarHBondContact O-N 2.93Å; R332-Q336 PolarHBondContact O-N 2.76Å |
| 333 | E | 45.3 | Very low | 42.5 | Very low | 94 Ų | 94 | 127 Ų | 127 | 44% | 0.439 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -69 | -34.1 | 175.5 | -71.4 | 171.5 | -178.3 | 0 | 0 | 111.7 | R329 K330 | R329-E333 WeakPolarHBondContact CG-OE1 3.29Å; R329-E333 IonicContact CZ-OE1 3.45Å; R329-E333 IonicContact NE-OE1 2.78Å; R329-E333 PolarHBondContact NE-OE1 3.08Å; R329-E333 IonicContact NH2-OE1 3.2Å; R329-E333 PolarHBondContact NH2-OE1 2.9Å; R329-E333 WeakPolarHBondContact O-CG 3.43Å; R329-E333 PolarHBondContact O-N 3.02Å; K330-E333 PolarHBondContact O-N 2.89Å |
| 334 | A | 45.2 | Very low | 42.9 | Very low | 51 Ų | 51 | 129.2 Ų | 129.2 | 42% | 0.421 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -72.6 | -42.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | K330 Q336 Q337 N338 | K330-A334 WeakPolarHBondContact O-CB 3.42Å; K330-A334 PolarHBondContact O-N 3.31Å; A334-Q336 PolarHBondContact O-N 3.06Å; A334-Q337 PolarHBondContact O-N 2.99Å; A334-Q337 VanDerWaalsContact O-N 3.13Å; A334-N338 PolarHBondContact O-N 3.38Å |
| 335 | A | 45.7 | Very low | 42.8 | Very low | 69 Ų | 69 | 131.7 Ų | 131.7 | 57% | 0.57 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -61.4 | -30.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A331 | A331-A335 WeakPolarHBondContact O-CB 3.33Å; A331-A335 PolarHBondContact O-N 3.27Å |
| 336 | Q | 45.3 | Very low | 42.9 | Very low | 152 Ų | 152 | 134 Ų | 134 | 71% | 0.71 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -77.1 | -17.4 | 177.3 | -115.7 | 174.7 | -30.2 | 0 | 0 | 114.4 | R332 A334 | R332-Q336 PolarHBondContact O-N 2.76Å; A334-Q336 PolarHBondContact O-N 3.06Å |
| 337 | Q | 44.6 | Very low | 43.1 | Very low | 166 Ų | 166 | 137.8 Ų | 137.8 | 78% | 0.776 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -88.5 | -24.4 | 175.6 | -74.4 | -168.4 | -34.8 | 0 | 0 | 113.7 | A334 S339 | A334-Q337 PolarHBondContact O-N 2.99Å; A334-Q337 VanDerWaalsContact O-N 3.13Å; Q337-S339 VanDerWaalsContact C-N 3.34Å |
| 338 | N | 42.2 | Very low | 43.2 | Very low | 140 Ų | 140 | 140 Ų | 140 | 75% | 0.749 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -86.8 | -3.1 | 177.2 | -68.5 | -6 | 0 | 0 | 0 | 113.4 | A334 M340 | A334-N338 PolarHBondContact O-N 3.38Å; N338-M340 PolarHBondContact O-N 3.17Å |
| 339 | S | 41.9 | Very low | 43.6 | Very low | 102 Ų | 102 | 141.8 Ų | 141.8 | 71% | 0.713 | 71% | 0.705 | S | S | * | * | trans | -78.6 | 34 | 178.2 | -167.7 | 0 | 0 | 0 | 0 | 113.7 | Q337 | Q337-S339 VanDerWaalsContact C-N 3.34Š| ||
| 340 | M | 46 | Very low | 43.8 | Very low | 185 Ų | 185 | 141.1 Ų | 141.1 | 91% | 0.911 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -137.5 | 53.4 | 178 | -161.1 | 70.8 | -176.3 | 0 | 0 | 111.2 | N338 | N338-M340 PolarHBondContact O-N 3.17Š|
| 341 | G | 42.3 | Very low | 43.9 | Very low | 62 Ų | 62 | 140.4 Ų | 140.4 | 64% | 0.639 | 71% | 0.709 | S | S | * | * | S | Bend | trans | 179.1 | 102.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 342 | E | 37.5 | Very low | 44.3 | Very low | 205 Ų | 205 | 143 Ų | 143 | 96% | 0.958 | 71% | 0.714 | S | S | * | * | trans | 70.9 | 167.3 | 151 | -54.8 | -167.6 | 129.9 | 0 | 0 | 119.9 | ||||
| 343 | Q | 44 | Very low | 44.7 | Very low | 189 Ų | 189 | 139.2 Ų | 139.2 | 88% | 0.883 | 71% | 0.707 | S | S | * | * | trans | -112.2 | 158.3 | -161.3 | -62.1 | 171.1 | -74 | 0 | 0 | 112.6 | ||||
| 344 | K | 41.3 | Very low | 45.1 | Very low | 200 Ų | 200 | 138.5 Ų | 138.5 | 87% | 0.87 | 71% | 0.712 | S | S | * | * | trans | 78.9 | 113.6 | 169.2 | -60.9 | 175.1 | 168.2 | -179.8 | 0 | 117.7 | ||||
| 345 | K | 36.3 | Very low | 45.4 | Very low | 142 Ų | 142 | 141.7 Ų | 141.7 | 62% | 0.617 | 72% | 0.722 | S | S | * | * | -177.8 | 140.8 | 108.9 | -100.7 | -178.3 | 169.4 | -128.3 | 0 | 109.9 | E347 | K345-E347 IonicContact NZ-OE2 2.75Å; K345-E347 PolarHBondContact NZ-OE2 3.13Å | |||
| 346 | E | 44.7 | Very low | 45.7 | Very low | 188 Ų | 188 | 141.3 Ų | 141.3 | 88% | 0.879 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -102.8 | 0.9 | 174.7 | -69.3 | 175.4 | 155.8 | 0 | 0 | 112.3 | ||
| 347 | E | 47.5 | Very low | 46 | Very low | 135 Ų | 135 | 141.8 Ų | 141.8 | 63% | 0.631 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -81.9 | -20.7 | -175.4 | -65.4 | 174.2 | 147.2 | 0 | 0 | 114 | K345 | K345-E347 IonicContact NZ-OE2 2.75Å; K345-E347 PolarHBondContact NZ-OE2 3.13Å |
| 348 | E | 43.2 | Very low | 46.4 | Very low | 143 Ų | 143 | 137 Ų | 137 | 67% | 0.668 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -83.8 | -18.6 | -174.3 | -70.3 | -179 | 163.4 | 0 | 0 | 113.8 | ||
| 349 | E | 47.4 | Very low | 46.6 | Very low | 163 Ų | 163 | 134.8 Ų | 134.8 | 76% | 0.762 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -76.5 | -24.3 | -178.7 | -67.6 | -164.7 | 155.5 | 0 | 0 | 113.9 | L353 | E349-L353 WeakPolarHBondContact O-CG 3.17Å |
| 350 | E | 47.9 | Very low | 47.1 | Very low | 162 Ų | 162 | 139.3 Ų | 139.3 | 76% | 0.757 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -76.2 | -34.8 | 176.6 | -77.1 | -155 | 133.6 | 0 | 0 | 113.1 | S354 | E350-S354 PolarHBondContact O-N 3.07Å |
| 351 | E | 47.5 | Very low | 46.9 | Very low | 143 Ų | 143 | 133.7 Ų | 133.7 | 67% | 0.668 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -67.9 | -41.9 | -177.9 | -65.9 | -162.7 | 149.8 | 0 | 0 | 111.6 | L353 S354 L355 | E351-L353 PolarHBondContact O-N 2.93Å; E351-S354 PolarHBondContact O-N 2.96Å; E351-S354 PolarHBondContact O-OG 2.66Å; E351-L355 PolarHBondContact O-N 2.93Å |
| 352 | D | 50.4 | Low | 46.9 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 65% | 0.647 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -67 | -36.5 | -178.9 | -113.6 | 0.6 | 0 | 0 | 0 | 112.8 | S354 L355 A356 | D352-S354 VanDerWaalsContact C-N 3.29Å; D352-S354 PolarHBondContact O-N 2.75Å; D352-L355 PolarHBondContact O-N 3.46Å; D352-A356 PolarHBondContact O-N 3.17Å |
| 353 | L | 53 | Low | 47.1 | Very low | 112 Ų | 112 | 132.6 Ų | 132.6 | 59% | 0.586 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -62.3 | -38.4 | 174.1 | -74.2 | 171.2 | 0 | 0 | 0 | 111.6 | E349 E351 L355 A356 Y357 | E349-L353 WeakPolarHBondContact O-CG 3.17Å; E351-L353 PolarHBondContact O-N 2.93Å; L353-L355 PolarHBondContact O-N 3.02Å; L353-A356 PolarHBondContact O-N 3.34Å; L353-Y357 WeakPolarHBondContact O-CD2 3.41Å; L353-Y357 PolarHBondContact O-N 3.03Å |
| 354 | S | 52.4 | Low | 47.1 | Very low | 78 Ų | 78 | 134.9 Ų | 134.9 | 55% | 0.545 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -69.8 | -32.7 | -176.9 | 73 | 0 | 0 | 0 | 0 | 113.1 | E350 E351 D352 A358 | E350-S354 PolarHBondContact O-N 3.07Å; E351-S354 PolarHBondContact O-N 2.96Å; E351-S354 PolarHBondContact O-OG 2.66Å; D352-S354 VanDerWaalsContact C-N 3.29Å; D352-S354 PolarHBondContact O-N 2.75Å; S354-A358 PolarHBondContact O-N 2.83Å |
| 355 | L | 51.8 | Low | 47.1 | Very low | 119 Ų | 119 | 134.8 Ų | 134.8 | 62% | 0.623 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -68.3 | -39.7 | 171.3 | -74.2 | 169.4 | 0 | 0 | 0 | 112.5 | E351 D352 L353 Y357 A358 | E351-L355 PolarHBondContact O-N 2.93Å; D352-L355 PolarHBondContact O-N 3.46Å; L353-L355 PolarHBondContact O-N 3.02Å; L355-Y357 VanDerWaalsContact C-N 3.26Å; L355-Y357 PolarHBondContact O-N 2.95Å; L355-A358 PolarHBondContact O-N 2.85Å |
| 356 | A | 53 | Low | 47.4 | Very low | 60 Ų | 60 | 133.7 Ų | 133.7 | 50% | 0.496 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -63.8 | -28.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | D352 L353 | D352-A356 PolarHBondContact O-N 3.17Å; L353-A356 PolarHBondContact O-N 3.34Å |
| 357 | Y | 51.9 | Low | 47.2 | Very low | 162 Ų | 162 | 133.2 Ų | 133.2 | 64% | 0.635 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -77.1 | -34.3 | 174.6 | -87.3 | -80.5 | 0 | 0 | 0 | 113.4 | L353 L355 A359 R360 | L353-Y357 WeakPolarHBondContact O-CD2 3.41Å; L353-Y357 PolarHBondContact O-N 3.03Å; L355-Y357 VanDerWaalsContact C-N 3.26Å; L355-Y357 PolarHBondContact O-N 2.95Å; Y357-A359 VanDerWaalsContact C-N 3.3Å; Y357-A359 PolarHBondContact O-N 3.07Å; Y357-R360 PolarHBondContact O-N 2.85Å |
| 358 | A | 51.6 | Low | 46.9 | Very low | 65 Ų | 65 | 131.6 Ų | 131.6 | 54% | 0.537 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -62.1 | -37.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S354 L355 R360 G361 | S354-A358 PolarHBondContact O-N 2.83Å; L355-A358 PolarHBondContact O-N 2.85Å; A358-R360 PolarHBondContact O-N 3.28Å; A358-R360 VanDerWaalsContact O-N 3.1Å; A358-G361 PolarHBondContact O-N 3.04Å |
| 359 | A | 47 | Very low | 46.4 | Very low | 94 Ų | 94 | 128.1 Ų | 128.1 | 78% | 0.777 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -11.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y357 | Y357-A359 VanDerWaalsContact C-N 3.3Å; Y357-A359 PolarHBondContact O-N 3.07Å |
| 360 | R | 52.7 | Low | 46 | Very low | 197 Ų | 197 | 128.8 Ų | 128.8 | 74% | 0.743 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | 5.5 | 176.1 | -90.4 | -174.1 | 170.7 | 113.8 | -4 | 114.8 | Y357 A358 F362 | Y357-R360 PolarHBondContact O-N 2.85Å; A358-R360 PolarHBondContact O-N 3.28Å; A358-R360 VanDerWaalsContact O-N 3.1Å; R360-F362 HydrophobicContact CB-CD2 4.32Å |
| 361 | G | 40.9 | Very low | 45.5 | Very low | 67 Ų | 67 | 129 Ų | 129 | 69% | 0.691 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 86.1 | 8.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | A358 A363 | A358-G361 PolarHBondContact O-N 3.04Å; G361-A363 PolarHBondContact O-N 2.84Å |
| 362 | F | 43.8 | Very low | 44.9 | Very low | 161 Ų | 161 | 130.9 Ų | 130.9 | 71% | 0.706 | 70% | 0.695 | S | S | * | * | trans | -89.8 | 85.4 | 172.5 | -68 | -79.2 | 0 | 0 | 0 | 110.7 | R360 R364 | R360-F362 HydrophobicContact CB-CD2 4.32Å; F362-R364 PolarHBondContact O-N 3.16Å; F362-R364 VanDerWaalsContact O-N 3.09Å | ||
| 363 | A | 40.4 | Very low | 44.2 | Very low | 84 Ų | 84 | 134.2 Ų | 134.2 | 69% | 0.694 | 70% | 0.704 | S | S | * | * | trans | -68.5 | 103.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110 | G361 Y365 | G361-A363 PolarHBondContact O-N 2.84Å; A363-Y365 PolarHBondContact O-N 2.82Å | ||
| 364 | R | 44 | Very low | 43.6 | Very low | 236 Ų | 236 | 134.9 Ų | 134.9 | 89% | 0.891 | 71% | 0.712 | S | S | * | * | trans | -67.2 | 109.9 | 161.7 | -92.6 | -176.3 | 171 | 166.3 | -2.5 | 107.9 | F362 | F362-R364 PolarHBondContact O-N 3.16Å; F362-R364 VanDerWaalsContact O-N 3.09Å | ||
| 365 | Y | 42.2 | Very low | 42.8 | Very low | 199 Ų | 199 | 137.7 Ų | 137.7 | 78% | 0.78 | 72% | 0.721 | S | S | * | * | trans | -58.9 | 136.9 | 162.9 | -67.8 | -83.7 | 0 | 0 | 0 | 109 | A363 M367 | A363-Y365 PolarHBondContact O-N 2.82Å; Y365-M367 PolarHBondContact O-N 3.27Å; Y365-M367 VanDerWaalsContact O-N 3.12Å | ||
| 366 | P | 42 | Very low | 42 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 77% | 0.766 | 72% | 0.72 | S | S | * | * | trans | -65.4 | 114.1 | 178.6 | 25.6 | -32.9 | 0 | 0 | 0 | 110 | V368 | P366-V368 PolarHBondContact O-N 3.15Š| ||
| 367 | M | 39.7 | Very low | 41.6 | Very low | 179 Ų | 179 | 140.1 Ų | 140.1 | 88% | 0.882 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -77.9 | 24.2 | 179.3 | -60.6 | -167.3 | -151.7 | 0 | 0 | 113.7 | Y365 | Y365-M367 PolarHBondContact O-N 3.27Å; Y365-M367 VanDerWaalsContact O-N 3.12Å |
| 368 | V | 41.8 | Very low | 41 | Very low | 101 Ų | 101 | 136.6 Ų | 136.6 | 61% | 0.612 | 74% | 0.737 | S | S | * | * | trans | -135.9 | 94.1 | 178.7 | -170.9 | 0 | 0 | 0 | 0 | 109.4 | P366 Y370 | P366-V368 PolarHBondContact O-N 3.15Å; V368-Y370 HydrophobicContact CG1-CD2 4.27Å; V368-Y370 HydrophobicContact CG1-CE2 3.74Å | ||
| 369 | G | 32.5 | Very low | 40.7 | Very low | 69 Ų | 69 | 138.8 Ų | 138.8 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | trans | -106.6 | 120.9 | 165 | 0 | 0 | 0 | 0 | 0 | 109.7 | I371 | G369-I371 PolarHBondContact O-N 3.07Š| ||
| 370 | Y | 39.9 | Very low | 40.4 | Very low | 177 Ų | 177 | 143.5 Ų | 143.5 | 69% | 0.694 | 76% | 0.755 | S | S | * | * | trans | -82.2 | 110.5 | 172.8 | -70.4 | -81.3 | 0 | 0 | 0 | 110.1 | V368 Y372 | V368-Y370 HydrophobicContact CG1-CD2 4.27Å; V368-Y370 HydrophobicContact CG1-CE2 3.74Å; Y370-Y372 HydrophobicContact CG-CE2 4.47Å; Y370-Y372 WeakPolarHBondContact O-CD2 3.23Å; Y370-Y372 PolarHBondContact O-N 2.87Å | ||
| 371 | I | 36.5 | Very low | 39.9 | Very low | 166 Ų | 166 | 142.4 Ų | 142.4 | 85% | 0.851 | 76% | 0.758 | S | S | * | * | trans | -80 | 96.4 | 173.6 | -56.6 | 176.7 | 0 | 0 | 0 | 108.7 | G369 K373 | G369-I371 PolarHBondContact O-N 3.07Å; I371-K373 PolarHBondContact O-N 2.87Å | ||
| 372 | Y | 34.6 | Very low | 39.4 | Very low | 184 Ų | 184 | 146.4 Ų | 146.4 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | trans | -80.4 | 104.7 | 170.9 | -67.3 | -80 | 0 | 0 | 0 | 110.2 | Y370 V374 | Y370-Y372 HydrophobicContact CG-CE2 4.47Å; Y370-Y372 WeakPolarHBondContact O-CD2 3.23Å; Y370-Y372 PolarHBondContact O-N 2.87Å; Y372-V374 PolarHBondContact O-N 3.05Å | ||
| 373 | K | 36.1 | Very low | 38.8 | Very low | 191 Ų | 191 | 150 Ų | 150 | 83% | 0.83 | 77% | 0.771 | S | S | * | * | trans | -72.1 | 89.5 | 170.8 | -173.1 | -180 | -179.8 | 177.5 | 0 | 110.1 | I371 | I371-K373 PolarHBondContact O-N 2.87Š| ||
| 374 | V | 41.2 | Very low | 38.5 | Very low | 125 Ų | 125 | 157.3 Ų | 157.3 | 76% | 0.758 | 80% | 0.797 | S | S | * | * | trans | -74.8 | 132.2 | 168 | -161.8 | 0 | 0 | 0 | 0 | 108.5 | Y372 S376 | Y372-V374 PolarHBondContact O-N 3.05Å; V374-S376 PolarHBondContact O-N 2.99Å | ||
| 375 | N | 34.6 | Very low | 38.2 | Very low | 138 Ų | 138 | 153.4 Ų | 153.4 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | trans | -79.6 | 83.5 | -174.7 | -162.5 | 47.4 | 0 | 0 | 0 | 111 | ||||
| 376 | S | 36.1 | Very low | 38 | Very low | 87 Ų | 87 | 151 Ų | 151 | 61% | 0.608 | 79% | 0.793 | S | S | * | * | trans | -80.3 | 132.2 | 173.3 | -170.4 | 0 | 0 | 0 | 0 | 111.1 | V374 S378 | V374-S376 PolarHBondContact O-N 2.99Å; S376-S378 PolarHBondContact OG-OG 3.5Å | ||
| 377 | T | 44.4 | Very low | 37.8 | Very low | 143 Ų | 143 | 152.8 Ų | 152.8 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | trans | -92.7 | 10.1 | -179 | 46.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 378 | S | 39.7 | Very low | 37.7 | Very low | 88 Ų | 88 | 151.3 Ų | 151.3 | 62% | 0.615 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -109.6 | 126.8 | 173.4 | 62.7 | 0 | 0 | 0 | 0 | 111.5 | S376 E380 | S376-S378 PolarHBondContact OG-OG 3.5Å; S378-E380 PolarHBondContact O-N 3.42Å |
| 379 | S | 45.2 | Very low | 37.4 | Very low | 110 Ų | 110 | 154.4 Ų | 154.4 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | -60.7 | 121.3 | 172.3 | 49.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 380 | E | 40.4 | Very low | 37.7 | Very low | 194 Ų | 194 | 160.1 Ų | 160.1 | 91% | 0.907 | 81% | 0.806 | S | S | * | * | trans | -171.7 | 152.5 | 130.6 | -104.1 | 164.5 | -158.7 | 0 | 0 | 110.1 | S378 | S378-E380 PolarHBondContact O-N 3.42Š| ||
| 381 | E | 42.2 | Very low | 37.6 | Very low | 173 Ų | 173 | 158.9 Ų | 158.9 | 81% | 0.808 | 81% | 0.814 | S | S | * | * | trans | -79.7 | 139.2 | -174.3 | -53.9 | 175.5 | 135.6 | 0 | 0 | 111.8 | ||||
| 382 | I | 30.8 | Very low | 37.6 | Very low | 152 Ų | 152 | 158.4 Ų | 158.4 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | trans | -143.9 | 126.5 | 140.5 | -53.7 | -177.7 | 0 | 0 | 0 | 108.1 | L384 | I382-L384 HydrophobicContact CG2-CG 4.33Š| ||
| 383 | W | 31.6 | Very low | 37.9 | Very low | 237 Ų | 237 | 156.3 Ų | 156.3 | 90% | 0.898 | 82% | 0.819 | S | S | * | * | trans | -107.8 | 131.8 | 161.6 | -63.9 | 93.8 | 0 | 0 | 0 | 108.6 | ||||
| 384 | L | 32.7 | Very low | 38.1 | Very low | 237 Ų | 237 | 153.1 Ų | 153.1 | 100% | 1.241 | 82% | 0.818 | S | S | * | * | trans | -127.3 | 0 | 167 | -84.1 | 171.4 | 0 | 0 | 0 | 108.1 | I382 | I382-L384 HydrophobicContact CG2-CG 4.33Š|
Retrieved 384 of 384 residues in 286.8 ms
(Link to these results)