| 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 | 38.4 | Very low | 33.1 | Very low | 249 Ų | 249 | 151.5 Ų | 151.5 | 100% | 1.227 | 83% | 0.833 | S | S | * | * | 0 | 98.2 | 0 | -60.3 | 173.9 | -167.3 | 0 | 0 | 105.5 | |||||
| 2 | G | 34.3 | Very low | 33 | Very low | 78 Ų | 78 | 156.3 Ų | 156.3 | 80% | 0.804 | 84% | 0.84 | S | S | * | * | cis | 97.7 | 85.2 | 45.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 3 | V | 33.7 | Very low | 33 | Very low | 152 Ų | 152 | 153.4 Ų | 153.4 | 92% | 0.921 | 84% | 0.837 | S | S | * | * | trans | -124.3 | 122.9 | 156 | -166.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 4 | C | 29.7 | Very low | 32.9 | Very low | 104 Ų | 104 | 153.9 Ų | 153.9 | 70% | 0.703 | 84% | 0.837 | S | S | * | * | trans | -88.9 | 149.3 | -171.7 | -156.3 | 0 | 0 | 0 | 0 | 109.3 | Y6 | C4-Y6 VanDerWaalsContact SG-CD2 3.54Š| ||
| 5 | G | 32.1 | Very low | 32.9 | Very low | 79 Ų | 79 | 151.4 Ų | 151.4 | 81% | 0.814 | 83% | 0.828 | S | S | * | * | trans | -165.6 | 69.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 6 | Y | 31.8 | Very low | 33.4 | Very low | 178 Ų | 178 | 150.4 Ų | 150.4 | 70% | 0.698 | 83% | 0.828 | S | S | * | * | trans | -65 | 141.1 | 171.4 | -85.8 | -99.3 | 0 | 0 | 0 | 111.5 | C4 F8 | C4-Y6 VanDerWaalsContact SG-CD2 3.54Å; Y6-F8 HydrophobicContact CD1-CD2 4.15Å; Y6-F8 AromaticContact CD1-CE2 3.77Å; Y6-F8 HydrophobicContact CD1-CE2 3.77Å; Y6-F8 HydrophobicContact CE1-CE2 4.29Å | ||
| 7 | L | 30 | Very low | 33.5 | Very low | 182 Ų | 182 | 148.2 Ų | 148.2 | 95% | 0.953 | 82% | 0.82 | S | S | * | * | trans | -144.2 | 132.7 | 139 | -113.6 | 123.8 | 0 | 0 | 0 | 110.8 | ||||
| 8 | F | 29.2 | Very low | 33.7 | Very low | 156 Ų | 156 | 145.7 Ų | 145.7 | 68% | 0.684 | 81% | 0.814 | S | S | * | * | trans | -78.3 | 138 | -167.3 | -93 | -114.4 | 0 | 0 | 0 | 113.7 | Y6 | Y6-F8 HydrophobicContact CD1-CD2 4.15Å; Y6-F8 AromaticContact CD1-CE2 3.77Å; Y6-F8 HydrophobicContact CD1-CE2 3.77Å; Y6-F8 HydrophobicContact CE1-CE2 4.29Å | ||
| 9 | L | 32.6 | Very low | 33.6 | Very low | 130 Ų | 130 | 145.9 Ų | 145.9 | 68% | 0.681 | 81% | 0.813 | S | S | * | * | 40.4 | 149.1 | 126.5 | -75.9 | 166.1 | 0 | 0 | 0 | 120.6 | |||||
| 10 | P | 41.7 | Very low | 33.6 | Very low | 121 Ų | 121 | 150.3 Ų | 150.3 | 79% | 0.786 | 82% | 0.816 | S | S | * | * | cis | -145.6 | 163.3 | 46.2 | 36.1 | -13.9 | 0 | 0 | 0 | 118.5 | ||||
| 11 | W | 30.7 | Very low | 33.6 | Very low | 237 Ų | 237 | 149.6 Ų | 149.6 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | trans | -67.9 | 136.4 | 166.5 | -79.4 | -7.9 | 0 | 0 | 0 | 112.7 | ||||
| 12 | K | 31.6 | Very low | 33.4 | Very low | 210 Ų | 210 | 145 Ų | 145 | 91% | 0.913 | 79% | 0.79 | S | S | * | * | trans | -143.4 | 123.8 | 142 | -89.3 | -175.1 | 178.6 | 177.3 | 0 | 109.4 | ||||
| 13 | C | 33.3 | Very low | 33.4 | Very low | 118 Ų | 118 | 149 Ų | 149 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | -56.2 | 145.9 | 163.9 | -61.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 14 | L | 31.3 | Very low | 33.5 | Very low | 161 Ų | 161 | 149.5 Ų | 149.5 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | 179.2 | 135.6 | 120 | -112.8 | 92.6 | 0 | 0 | 0 | 111.1 | |||||
| 15 | V | 33.4 | Very low | 34.1 | Very low | 116 Ų | 116 | 150 Ų | 150 | 70% | 0.703 | 78% | 0.782 | S | S | * | * | trans | 81.3 | 109.2 | 146.7 | -174.2 | 0 | 0 | 0 | 0 | 118.9 | V17 | V15-V17 HydrophobicContact CG1-CG2 4.17Å; V15-V17 PolarHBondContact O-N 3.35Å | ||
| 16 | V | 40 | Very low | 34.4 | Very low | 135 Ų | 135 | 152.1 Ų | 152.1 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -55.2 | 120.6 | 156.6 | 176.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 17 | V | 35.3 | Very low | 35.3 | Very low | 114 Ų | 114 | 150.5 Ų | 150.5 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | trans | -139 | 107.9 | 147.2 | -177.4 | 0 | 0 | 0 | 0 | 107.8 | V15 L19 | V15-V17 HydrophobicContact CG1-CG2 4.17Å; V15-V17 PolarHBondContact O-N 3.35Å; V17-L19 HydrophobicContact CG1-CD1 4.29Å; V17-L19 PolarHBondContact O-N 2.98Å | ||
| 18 | S | 37.3 | Very low | 36.4 | Very low | 103 Ų | 103 | 145 Ų | 145 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | trans | -69.7 | 107.6 | 169.5 | 55.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 19 | L | 32.7 | Very low | 37.1 | Very low | 150 Ų | 150 | 143.6 Ų | 143.6 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -101 | 94.3 | 164.5 | -130.3 | 81.5 | 0 | 0 | 0 | 108.5 | V17 L21 | V17-L19 HydrophobicContact CG1-CD1 4.29Å; V17-L19 PolarHBondContact O-N 2.98Å; L19-L21 PolarHBondContact O-N 2.97Å | ||
| 20 | R | 32.2 | Very low | 37.5 | Very low | 232 Ų | 232 | 142.6 Ų | 142.6 | 88% | 0.875 | 78% | 0.783 | S | S | * | * | trans | -73.4 | 105.3 | 166.5 | -76.5 | -167.1 | 179.4 | -157.9 | 1.5 | 108 | L22 | R20-L22 PolarHBondContact O-N 3.3Å; R20-L22 VanDerWaalsContact O-N 3.1Å | ||
| 21 | L | 34.4 | Very low | 37.8 | Very low | 136 Ų | 136 | 142.9 Ų | 142.9 | 71% | 0.712 | 78% | 0.783 | S | S | * | * | trans | -68.9 | 100.4 | 159.3 | -97.5 | 141.4 | 0 | 0 | 0 | 107.7 | L19 F23 | L19-L21 PolarHBondContact O-N 2.97Å; L21-F23 VanDerWaalsContact C-N 3.28Å; L21-F23 HydrophobicContact CB-CD2 4.33Å; L21-F23 HydrophobicContact CB-CE2 4.23Å; L21-F23 HydrophobicContact CD2-CE2 3.96Å; L21-F23 HydrophobicContact CD2-CZ 4.34Å; L21-F23 PolarHBondContact O-N 2.96Å | ||
| 22 | L | 34.4 | Very low | 38.6 | Very low | 152 Ų | 152 | 141.1 Ų | 141.1 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | trans | -66.7 | 88.7 | 165.8 | -91.2 | 148.2 | 0 | 0 | 0 | 108.3 | R20 L24 | R20-L22 PolarHBondContact O-N 3.3Å; R20-L22 VanDerWaalsContact O-N 3.1Å; L22-L24 PolarHBondContact O-N 3.29Å | ||
| 23 | F | 34.3 | Very low | 39.5 | Very low | 164 Ų | 164 | 136.5 Ų | 136.5 | 72% | 0.719 | 77% | 0.77 | S | S | * | * | trans | -79.7 | 110.6 | 150.7 | -74.6 | -79.9 | 0 | 0 | 0 | 106.8 | L21 V25 | L21-F23 VanDerWaalsContact C-N 3.28Å; L21-F23 HydrophobicContact CB-CD2 4.33Å; L21-F23 HydrophobicContact CB-CE2 4.23Å; L21-F23 HydrophobicContact CD2-CE2 3.96Å; L21-F23 HydrophobicContact CD2-CZ 4.34Å; L21-F23 PolarHBondContact O-N 2.96Å; F23-V25 PolarHBondContact O-N 2.81Å | ||
| 24 | L | 35.7 | Very low | 40.6 | Very low | 161 Ų | 161 | 132.8 Ų | 132.8 | 84% | 0.843 | 75% | 0.751 | S | S | * | * | trans | -61.1 | 89.3 | 164.2 | -78.3 | 158.3 | 0 | 0 | 0 | 107.6 | L22 P26 | L22-L24 PolarHBondContact O-N 3.29Å; L24-P26 WeakPolarHBondContact O-CD 3.32Å | ||
| 25 | V | 42.4 | Very low | 42.3 | Very low | 115 Ų | 115 | 127.8 Ų | 127.8 | 70% | 0.697 | 73% | 0.726 | S | S | * | * | trans | -71.5 | 123.1 | 157.8 | -175.8 | 0 | 0 | 0 | 0 | 105.2 | F23 T27 | F23-V25 PolarHBondContact O-N 2.81Å; V25-T27 PolarHBondContact O-N 3.46Å | ||
| 26 | P | 38.5 | Very low | 44.2 | Very low | 123 Ų | 123 | 122.8 Ų | 122.8 | 80% | 0.799 | 70% | 0.697 | S | S | * | * | trans | -58.9 | 108.1 | 171.2 | -16.4 | 29.2 | 0 | 0 | 0 | 107.8 | L24 G28 | L24-P26 WeakPolarHBondContact O-CD 3.32Å; P26-G28 PolarHBondContact O-N 3.45Å | ||
| 27 | T | 50.5 | Low | 46.1 | Very low | 144 Ų | 144 | 119.4 Ų | 119.4 | 88% | 0.883 | 68% | 0.676 | S | S | * | * | trans | -66.4 | 114.9 | 167 | 46.4 | 0 | 0 | 0 | 0 | 107.5 | V25 | V25-T27 PolarHBondContact O-N 3.46Š| ||
| 28 | G | 53.4 | Low | 48.5 | Very low | 68 Ų | 68 | 116 Ų | 116 | 70% | 0.701 | 65% | 0.652 | S | S | * | * | trans | 124.2 | 64.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | P26 | P26-G28 PolarHBondContact O-N 3.45Š| ||
| 29 | V | 42.7 | Very low | 50.9 | Low | 126 Ų | 126 | 115 Ų | 115 | 76% | 0.764 | 64% | 0.644 | S | S | * | * | trans | -114.5 | 112.7 | 133.6 | -176.5 | 0 | 0 | 0 | 0 | 105.4 | V31 | V29-V31 PolarHBondContact O-N 2.68Š| ||
| 30 | P | 42.5 | Very low | 53.5 | Low | 109 Ų | 109 | 113.7 Ų | 113.7 | 71% | 0.708 | 63% | 0.631 | S | S | * | * | trans | -64.1 | 106.4 | 166.4 | 26.7 | -28.2 | 0 | 0 | 0 | 105.8 | R32 | P30-R32 VanDerWaalsContact C-N 3.32Å; P30-R32 PolarHBondContact O-N 3.4Å | ||
| 31 | V | 46.7 | Very low | 56.1 | Low | 127 Ų | 127 | 106.2 Ų | 106.2 | 77% | 0.77 | 62% | 0.619 | S | S | * | * | trans | -55.8 | 109 | 159.9 | 176.3 | 0 | 0 | 0 | 0 | 104.2 | V29 S33 | V29-V31 PolarHBondContact O-N 2.68Å; V31-S33 PolarHBondContact O-N 2.83Å | ||
| 32 | R | 48.9 | Very low | 58.9 | Low | 199 Ų | 199 | 101 Ų | 101 | 75% | 0.751 | 59% | 0.592 | S | S | * | * | trans | -67.3 | 76.8 | 173.1 | -85.7 | -179.2 | 160.4 | -159.2 | -2.5 | 107.1 | P30 G34 R62 | P30-R32 VanDerWaalsContact C-N 3.32Å; P30-R32 PolarHBondContact O-N 3.4Å; R32-G34 PolarHBondContact O-N 2.99Å; R32-R62 PolarHBondContact O-NH1 2.75Å; R32-R62 VanDerWaalsContact O-NH1 3.08Å | ||
| 33 | S | 48.9 | Very low | 61.7 | Low | 114 Ų | 114 | 98.9 Ų | 98.9 | 80% | 0.797 | 58% | 0.581 | S | S | * | * | trans | -73.8 | 60.3 | 170.8 | 174.6 | 0 | 0 | 0 | 0 | 109.1 | V31 | V31-S33 PolarHBondContact O-N 2.83Š| ||
| 34 | G | 56.9 | Low | 64.7 | Low | 39 Ų | 39 | 95.5 Ų | 95.5 | 40% | 0.402 | 57% | 0.57 | S | S | . | * | trans | -101 | 107.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 106.2 | R32 R62 | R32-G34 PolarHBondContact O-N 2.99Å; G34-R62 PolarHBondContact O-NH1 2.85Å | ||
| 35 | D | 67.9 | Low | 67.6 | Low | 57 Ų | 57 | 89.3 Ų | 89.3 | 31% | 0.305 | 54% | 0.54 | S | S | . | . | trans | -56.6 | 135 | 176.5 | -172.4 | 21.2 | 0 | 0 | 0 | 109.7 | T37 T119 K124 | D35-T37 WeakPolarHBondContact O-CG2 3.46Å; D35-T37 PolarHBondContact O-N 2.56Å; D35-T119 WeakPolarHBondContact OD1-CB 3.42Å; D35-T119 PolarHBondContact OD1-OG1 2.89Å; D35-K124 IonicContact OD1-NZ 2.73Å; D35-K124 WeakPolarHBondContact OD2-CE 3.42Å; D35-K124 IonicContact OD2-NZ 2.82Å; D35-K124 PolarHBondContact OD2-NZ 2.89Å | ||
| 36 | A | 72.8 | Confident | 70.3 | Confident | 11 Ų | 11 | 87.3 Ų | 87.3 | 9% | 0.091 | 53% | 0.528 | C | S | . | . | trans | -56.3 | 137.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | V63 T119 K124 | A36-V63 HydrophobicContact CB-CG2 3.85Å; A36-T119 HydrophobicContact CB-CG2 4.3Å; A36-K124 VanDerWaalsContact O-CD 3.27Å; A36-K124 WeakPolarHBondContact O-CD 3.49Å; A36-K124 WeakPolarHBondContact O-CE 3.37Å; A36-K124 PolarHBondContact O-NZ 3.42Å | ||
| 37 | T | 79.9 | Confident | 73.1 | Confident | 64 Ų | 64 | 82 Ų | 82 | 39% | 0.393 | 49% | 0.493 | S | S | . | . | trans | -135.4 | 167.7 | -175.4 | 49.6 | 0 | 0 | 0 | 0 | 112 | D35 P39 D60 | D35-T37 WeakPolarHBondContact O-CG2 3.46Å; D35-T37 PolarHBondContact O-N 2.56Å; T37-P39 WeakPolarHBondContact O-CD 3.48Å; T37-D60 WeakPolarHBondContact O-CB 3.35Å; T37-D60 PolarHBondContact O-N 3.35Å | ||
| 38 | F | 86.5 | Confident | 75.3 | Confident | 41 Ų | 41 | 79 Ų | 79 | 18% | 0.18 | 47% | 0.465 | C | S | . | . | trans | -86 | 118.8 | 165.5 | -62.7 | -75.9 | 0 | 0 | 0 | 108.9 | K40 C57 I59 C115 V117 K124 S126 | F38-K40 PolarHBondContact O-N 3.11Å; F38-C57 VanDerWaalsContact CE1-SG 3.52Å; F38-I59 HydrophobicContact CD1-CG2 4.47Å; F38-I59 HydrophobicContact CE1-CG2 4.23Å; F38-C115 HydrophobicContact CE1-CB 4.44Å; F38-C115 WeakPolarHBondContact CZ-O 3.16Å; F38-V117 HydrophobicContact CE1-CG1 3.82Å; F38-V117 HydrophobicContact CE1-CG2 4.32Å; F38-V117 HydrophobicContact CE2-CG2 4.01Å; F38-V117 HydrophobicContact CZ-CB 4.34Å; F38-V117 HydrophobicContact CZ-CG1 3.85Å; F38-V117 HydrophobicContact CZ-CG2 3.72Å; F38-K124 HydrophobicContact CE2-CB 4.04Å; F38-K124 WeakPolarHBondContact CE2-O 3.4Å; F38-S126 VanDerWaalsContact CE2-N 3.33Å | ||
| 39 | P | 86.4 | Confident | 77.4 | Confident | 84 Ų | 84 | 79.4 Ų | 79.4 | 55% | 0.545 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -64.9 | -29.5 | 178.5 | -23.3 | 35 | 0 | 0 | 0 | 113.1 | T37 T58 | T37-P39 WeakPolarHBondContact O-CD 3.48Å; P39-T58 HydrophobicContact CB-CG2 4.49Å; P39-T58 WeakPolarHBondContact CD-O 3.35Å; P39-T58 HydrophobicContact CG-CG2 4.24Å |
| 40 | K | 87.2 | Confident | 80 | Confident | 121 Ų | 121 | 75.4 Ų | 75.4 | 53% | 0.526 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -138.9 | 138.8 | -179.9 | -164.5 | -163.5 | 164.3 | -167.9 | 0 | 109.9 | F38 D43 | F38-K40 PolarHBondContact O-N 3.11Å; K40-D43 IonicContact NZ-OD2 3.93Å; K40-D43 PolarHBondContact NZ-OD2 3.14Å |
| 41 | A | 87.6 | Confident | 82.6 | Confident | 76 Ų | 76 | 75.1 Ų | 75.1 | 63% | 0.628 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 149.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 42 | M | 93.4 | Very high | 85.1 | Confident | 27 Ų | 27 | 71.8 Ų | 71.8 | 13% | 0.133 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -84.7 | 133.2 | 178.6 | -63.8 | -176.6 | 64.9 | 0 | 0 | 110.3 | R56 C57 W68 C115 V128 | M42-R56 WeakPolarHBondContact CE-O 3.23Å; M42-C57 HydrophobicContact SD-CB 4.15Å; M42-W68 HydrophobicContact CE-CH2 3.41Å; M42-W68 VanDerWaalsContact CE-CH2 3.41Å; M42-W68 HydrophobicContact CE-CZ2 3.84Å; M42-W68 HydrophobicContact SD-CH2 3.82Å; M42-W68 HydrophobicContact SD-CZ2 4.33Å; M42-C115 HydrophobicContact SD-CB 4.3Å; M42-V128 HydrophobicContact CB-CB 4.02Å; M42-V128 HydrophobicContact CE-CB 3.71Å; M42-V128 HydrophobicContact CE-CG1 3.68Å; M42-V128 HydrophobicContact CE-CG2 4.3Å; M42-V128 HydrophobicContact SD-CB 4.33Å; M42-V128 HydrophobicContact SD-CG1 4.46Å |
| 43 | D | 93.5 | Very high | 87.4 | Confident | 107 Ų | 107 | 62.3 Ų | 62.3 | 57% | 0.572 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -81.9 | 147.5 | 172.6 | -58 | -56.9 | 0 | 0 | 0 | 109.4 | K40 V128 | K40-D43 IonicContact NZ-OD2 3.93Å; K40-D43 PolarHBondContact NZ-OD2 3.14Å; D43-V128 WeakPolarHBondContact O-CG2 3.47Å |
| 44 | N | 96.5 | Very high | 89.7 | Confident | 92 Ų | 92 | 58.9 Ų | 58.9 | 49% | 0.492 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 146.4 | 175.3 | -69.2 | -15.4 | 0 | 0 | 0 | 110.9 | H129 I131 | N44-H129 WeakPolarHBondContact CA-O 3.33Å; N44-H129 WeakPolarHBondContact OD1-CB 3.42Å; N44-H129 PolarHBondContact OD1-N 3.03Å; N44-I131 HydrophobicContact CB-CD1 4.24Å |
| 45 | V | 97.5 | Very high | 91.6 | Very high | 32 Ų | 32 | 57 Ų | 57 | 19% | 0.194 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 118.6 | 179.8 | 176.1 | 0 | 0 | 0 | 0 | 108.1 | A53 L55 V128 H129 L130 I131 | V45-A53 HydrophobicContact CG1-CB 4.36Å; V45-L55 HydrophobicContact CB-CD2 4.11Å; V45-L55 HydrophobicContact CG1-CD2 4.38Å; V45-L55 HydrophobicContact CG2-CD2 3.99Å; V45-V128 HydrophobicContact CG2-CG2 3.95Å; V45-H129 PolarHBondContact N-O 3.21Å; V45-L130 HydrophobicContact CB-CD1 4.28Å; V45-L130 HydrophobicContact CG1-CD1 4.03Å; V45-L130 CarbonylContact O-C 3.53Å; V45-L130 WeakPolarHBondContact O-CA 3.2Å; V45-I131 PolarHBondContact O-N 3.46Å |
| 46 | T | 97.4 | Very high | 93 | Very high | 73 Ų | 73 | 62.3 Ų | 62.3 | 45% | 0.448 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 130.6 | 173 | -54.3 | 0 | 0 | 0 | 0 | 109.1 | I131 Q133 | T46-I131 WeakPolarHBondContact CA-O 3.49Å; T46-I131 HydrophobicContact CG2-CB 4.42Å; T46-I131 HydrophobicContact CG2-CG2 4.31Å; T46-Q133 HydrophobicContact CG2-CG 3.65Å |
| 47 | V | 97.6 | Very high | 94 | Very high | 10 Ų | 10 | 61.8 Ų | 61.8 | 6% | 0.061 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 148.6 | -178 | 71.3 | 0 | 0 | 0 | 0 | 110.1 | E51 A53 V105 L130 I131 V132 Q133 | V47-E51 HydrophobicContact CG2-CB 3.82Å; V47-A53 HydrophobicContact CB-CB 4.22Å; V47-A53 HydrophobicContact CG1-CB 4.07Å; V47-A53 HydrophobicContact CG2-CB 4.29Å; V47-V105 HydrophobicContact CG1-CB 4.12Å; V47-V105 HydrophobicContact CG1-CG1 3.73Å; V47-V105 HydrophobicContact CG1-CG2 4.17Å; V47-L130 HydrophobicContact CB-CD1 4.49Å; V47-L130 HydrophobicContact CG1-CD1 3.73Å; V47-I131 PolarHBondContact N-O 2.93Å; V47-V132 HydrophobicContact CG1-CG2 4.41Å; V47-Q133 PolarHBondContact O-N 2.87Å |
| 48 | R | 97.6 | Very high | 94.7 | Very high | 83 Ų | 83 | 61.7 Ų | 61.7 | 31% | 0.313 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 141.8 | 171 | -172.5 | -171.9 | -92.9 | 164.1 | -6.6 | 110.2 | G50 E51 Q133 S135 V207 A208 | R48-G50 PolarHBondContact O-N 3.46Å; R48-E51 HydrophobicContact CB-CG 4.28Å; R48-E51 WeakPolarHBondContact O-CB 3.47Å; R48-E51 PolarHBondContact O-N 2.79Å; R48-Q133 CarbonylContact C-O 3.59Å; R48-Q133 WeakPolarHBondContact CA-O 3.43Å; R48-S135 PolarHBondContact NE-OG 2.84Å; R48-V207 HydrophobicContact CG-CG1 4.2Å; R48-V207 PolarHBondContact NH2-O 2.67Å; R48-A208 VanDerWaalsContact NH2-CA 3.25Å |
| 49 | Q | 97.8 | Very high | 95 | Very high | 76 Ų | 76 | 60 Ų | 60 | 36% | 0.355 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51 | 133.8 | 173 | -170.4 | -174.9 | 19.8 | 0 | 0 | 111 | E51 V105 D106 V132 Q133 V134 | Q49-E51 VanDerWaalsContact C-N 3.33Å; Q49-V105 CarbonylContact C-O 3.57Å; Q49-V105 WeakPolarHBondContact CA-O 3.34Å; Q49-V105 WeakPolarHBondContact CG-O 3.38Å; Q49-D106 PolarHBondContact NE2-OD2 2.97Å; Q49-V132 HydrophobicContact CB-CG1 4.18Å; Q49-Q133 PolarHBondContact N-O 2.81Å; Q49-V134 HydrophobicContact CB-CG2 4.25Å |
| 50 | G | 96.7 | Very high | 95.1 | Very high | 41 Ų | 41 | 57.7 Ų | 57.7 | 42% | 0.423 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.1 | -15.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | R48 V105 | R48-G50 PolarHBondContact O-N 3.46Å; G50-V105 PolarHBondContact N-O 2.89Å |
| 51 | E | 97.4 | Very high | 95 | Very high | 103 Ų | 103 | 56.8 Ų | 56.8 | 48% | 0.481 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -85 | 174 | 173.7 | -62.9 | -177.3 | 172.8 | 0 | 0 | 111.5 | V47 R48 Q49 N104 V105 | V47-E51 HydrophobicContact CG2-CB 3.82Å; R48-E51 HydrophobicContact CB-CG 4.28Å; R48-E51 WeakPolarHBondContact O-CB 3.47Å; R48-E51 PolarHBondContact O-N 2.79Å; Q49-E51 VanDerWaalsContact C-N 3.33Å; E51-N104 PolarHBondContact O-N 2.96Å; E51-V105 WeakPolarHBondContact O-CB 3.15Å; E51-V105 VanDerWaalsContact O-CG2 3.25Å; E51-V105 WeakPolarHBondContact O-CG2 3.39Å; E51-V105 PolarHBondContact O-N 3.28Å |
| 52 | S | 97.9 | Very high | 94.8 | Very high | 57 Ų | 57 | 57.7 Ų | 57.7 | 40% | 0.399 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -94.8 | 130.9 | 176.4 | -63.4 | 0 | 0 | 0 | 0 | 111.4 | E101 I102 | S52-E101 VanDerWaalsContact CB-OE1 3.27Å; S52-E101 WeakPolarHBondContact CB-OE1 3.49Å; S52-I102 CarbonylContact C-O 3.49Å; S52-I102 VanDerWaalsContact CA-O 3.28Å; S52-I102 WeakPolarHBondContact CA-O 3.44Å |
| 53 | A | 98 | Very high | 94.3 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.008 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 127.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | V45 V47 E101 I102 V105 L130 | V45-A53 HydrophobicContact CG1-CB 4.36Å; V47-A53 HydrophobicContact CB-CB 4.22Å; V47-A53 HydrophobicContact CG1-CB 4.07Å; V47-A53 HydrophobicContact CG2-CB 4.29Å; A53-E101 CarbonylContact O-C 3.52Å; A53-E101 VanDerWaalsContact O-CA 3.24Å; A53-E101 WeakPolarHBondContact O-CA 3.41Å; A53-I102 PolarHBondContact N-O 3.02Å; A53-I102 PolarHBondContact O-N 3.18Å; A53-V105 HydrophobicContact CB-CG2 3.73Å; A53-L130 HydrophobicContact CB-CD1 3.57Å; A53-L130 HydrophobicContact CB-CD2 4.32Å |
| 54 | T | 97.8 | Very high | 93.8 | Very high | 42 Ų | 42 | 58.2 Ų | 58.2 | 26% | 0.258 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 117 | 174.4 | -67 | 0 | 0 | 0 | 0 | 110.7 | R56 L91 | T54-R56 HydrophobicContact CG2-CG 3.66Å; T54-L91 HydrophobicContact CG2-CD1 3.6Å |
| 55 | L | 97.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 108.4 | 176.3 | -50.1 | -173.9 | 0 | 0 | 0 | 109.8 | V45 W68 S99 I100 I102 Y113 V128 | V45-L55 HydrophobicContact CB-CD2 4.11Å; V45-L55 HydrophobicContact CG1-CD2 4.38Å; V45-L55 HydrophobicContact CG2-CD2 3.99Å; L55-W68 HydrophobicContact CB-CH2 3.83Å; L55-W68 HydrophobicContact CB-CZ2 3.88Å; L55-W68 HydrophobicContact CB-CZ3 4.48Å; L55-W68 HydrophobicContact CD1-CZ3 4.39Å; L55-S99 VanDerWaalsContact O-CA 3.26Å; L55-S99 WeakPolarHBondContact O-CA 3.2Å; L55-S99 WeakPolarHBondContact O-CB 3.27Å; L55-I100 HydrophobicContact CB-CG1 4.02Å; L55-I100 HydrophobicContact CD1-CD1 4.16Å; L55-I100 HydrophobicContact CD1-CG1 4.27Å; L55-I100 HydrophobicContact CG-CG1 4.39Å; L55-I100 PolarHBondContact N-O 2.92Å; L55-I100 PolarHBondContact O-N 2.9Å; L55-I100 VanDerWaalsContact O-N 3.16Å; L55-I102 HydrophobicContact CD1-CD1 4.21Å; L55-Y113 HydrophobicContact CD1-CD1 3.73Å; L55-Y113 HydrophobicContact CD1-CD2 3.89Å; L55-Y113 HydrophobicContact CD1-CE1 4.36Å; L55-Y113 HydrophobicContact CD1-CG 3.47Å; L55-Y113 VanDerWaalsContact CD1-CG 3.47Å; L55-V128 HydrophobicContact CB-CG1 4.44Å; L55-V128 HydrophobicContact CD1-CG1 4.3Å; L55-V128 HydrophobicContact CD2-CG1 4.26Å |
| 56 | R | 95.9 | Very high | 93.4 | Very high | 167 Ų | 167 | 61.7 Ų | 61.7 | 63% | 0.63 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 110.2 | -172.6 | -58 | -171.9 | -176.5 | -162.2 | 0.5 | 112.8 | M42 T54 S99 | M42-R56 WeakPolarHBondContact CE-O 3.23Å; T54-R56 HydrophobicContact CG2-CG 3.66Å; R56-S99 WeakPolarHBondContact CA-OG 3.42Å |
| 57 | C | 94.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 118 | 170.6 | -168.6 | 0 | 0 | 0 | 0 | 110.5 | F38 M42 W68 Q97 Y98 C115 | F38-C57 VanDerWaalsContact CE1-SG 3.52Å; M42-C57 HydrophobicContact SD-CB 4.15Å; C57-W68 HydrophobicContact CB-CZ2 3.7Å; C57-Q97 WeakPolarHBondContact O-CA 3Å; C57-Y98 WeakPolarHBondContact CB-O 3.37Å; C57-Y98 PolarHBondContact N-O 2.8Å; C57-Y98 PolarHBondContact O-N 3.09Å; C57-C115 HydrophobicContact CB-CB 3.64Å; C57-C115 WeakPolarHBondContact CB-SG 3.4Å; C57-C115 WeakPolarHBondContact SG-CB 3.38Å; C57-C115 CovalentContact SG-SG 2.04Å; C57-C115 PolarHBondContact SG-SG 2.69Å |
| 58 | T | 94.1 | Very high | 93.3 | Very high | 62 Ų | 62 | 58.6 Ų | 58.6 | 38% | 0.38 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 127.2 | 169.7 | -56.9 | 0 | 0 | 0 | 0 | 108.7 | P39 | P39-T58 HydrophobicContact CB-CG2 4.49Å; P39-T58 WeakPolarHBondContact CD-O 3.35Å; P39-T58 HydrophobicContact CG-CG2 4.24Å |
| 59 | I | 92.1 | Very high | 93.3 | Very high | 6 Ų | 6 | 56.3 Ų | 56.3 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | trans | -122.6 | 152.6 | -174.2 | 57.7 | 172.9 | 0 | 0 | 0 | 110.9 | F38 V63 T96 V117 | F38-I59 HydrophobicContact CD1-CG2 4.47Å; F38-I59 HydrophobicContact CE1-CG2 4.23Å; I59-V63 HydrophobicContact CB-CB 4.4Å; I59-V63 HydrophobicContact CB-CG2 4.15Å; I59-V63 HydrophobicContact CD1-CB 4.19Å; I59-V63 HydrophobicContact CD1-CG1 4.07Å; I59-T96 PolarHBondContact N-O 2.83Å; I59-T96 WeakPolarHBondContact O-CA 3.45Å; I59-V117 HydrophobicContact CG2-CG1 3.84Å | ||
| 60 | D | 89.3 | Confident | 93.2 | Very high | 36 Ų | 36 | 54.6 Ų | 54.6 | 19% | 0.193 | 28% | 0.281 | C | S | . | . | trans | -69.1 | 147.8 | 171.7 | -179.2 | -100.1 | 0 | 0 | 0 | 111.1 | T37 R62 V63 | T37-D60 WeakPolarHBondContact O-CB 3.35Å; T37-D60 PolarHBondContact O-N 3.35Å; D60-R62 PolarHBondContact O-N 3.23Å; D60-R62 WeakPolarHBondContact OD1-CB 3.2Å; D60-R62 WeakPolarHBondContact OD1-CD 3.41Å; D60-R62 WeakPolarHBondContact OD1-CG 3.37Å; D60-R62 PolarHBondContact OD1-N 2.93Å; D60-R62 IonicContact OD1-NE 3.89Å; D60-V63 HydrophobicContact CB-CG2 4.47Å; D60-V63 WeakPolarHBondContact O-CB 3.11Å; D60-V63 WeakPolarHBondContact O-CG2 3.44Å; D60-V63 PolarHBondContact O-N 2.88Å | ||
| 61 | N | 85 | Confident | 92.7 | Very high | 101 Ų | 101 | 61.9 Ų | 61.9 | 54% | 0.54 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -7.1 | -175.4 | 70.3 | -8.8 | 0 | 0 | 0 | 115 | Q95 | N61-Q95 VanDerWaalsContact CA-O 3.31Å; N61-Q95 WeakPolarHBondContact CA-O 3.34Å |
| 62 | R | 83.3 | Confident | 92.2 | Very high | 95 Ų | 95 | 62.6 Ų | 62.6 | 36% | 0.358 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -6.7 | 174.3 | -55.2 | 171 | -164.7 | -174.6 | 4.9 | 112.9 | R32 G34 D60 T64 | R32-R62 PolarHBondContact O-NH1 2.75Å; R32-R62 VanDerWaalsContact O-NH1 3.08Å; G34-R62 PolarHBondContact O-NH1 2.85Å; D60-R62 PolarHBondContact O-N 3.23Å; D60-R62 WeakPolarHBondContact OD1-CB 3.2Å; D60-R62 WeakPolarHBondContact OD1-CD 3.41Å; D60-R62 WeakPolarHBondContact OD1-CG 3.37Å; D60-R62 PolarHBondContact OD1-N 2.93Å; D60-R62 IonicContact OD1-NE 3.89Å; R62-T64 PolarHBondContact O-N 3.35Å |
| 63 | V | 83.8 | Confident | 92 | Very high | 22 Ų | 22 | 63.9 Ų | 63.9 | 13% | 0.133 | 32% | 0.318 | C | S | . | . | trans | -67.5 | 119.8 | 178.8 | 172.9 | 0 | 0 | 0 | 0 | 109.7 | A36 I59 D60 V66 V117 | A36-V63 HydrophobicContact CB-CG2 3.85Å; I59-V63 HydrophobicContact CB-CB 4.4Å; I59-V63 HydrophobicContact CB-CG2 4.15Å; I59-V63 HydrophobicContact CD1-CB 4.19Å; I59-V63 HydrophobicContact CD1-CG1 4.07Å; D60-V63 HydrophobicContact CB-CG2 4.47Å; D60-V63 WeakPolarHBondContact O-CB 3.11Å; D60-V63 WeakPolarHBondContact O-CG2 3.44Å; D60-V63 PolarHBondContact O-N 2.88Å; V63-V66 HydrophobicContact CG1-CB 4.11Å; V63-V117 HydrophobicContact CG1-CB 3.92Å; V63-V117 HydrophobicContact CG1-CG1 3.71Å; V63-V117 HydrophobicContact CG2-CB 4.03Å; V63-V117 HydrophobicContact CG2-CG1 3.97Å; V63-V117 HydrophobicContact CG2-CG2 4.41Å | ||
| 64 | T | 82.6 | Confident | 91.9 | Very high | 124 Ų | 124 | 67.3 Ų | 67.3 | 76% | 0.761 | 34% | 0.335 | S | S | * | . | trans | -102.9 | -24.2 | 179.3 | 55.6 | 0 | 0 | 0 | 0 | 113.2 | R62 | R62-T64 PolarHBondContact O-N 3.35Š| ||
| 65 | R | 90 | Very high | 91.9 | Very high | 184 Ų | 184 | 65.7 Ų | 65.7 | 69% | 0.694 | 33% | 0.325 | S | S | * | . | trans | -136.4 | 127.5 | 178.7 | -57.7 | 179.8 | -179.9 | -177.1 | -0.8 | 109.6 | V117 Q118 | R65-V117 WeakPolarHBondContact O-CA 3.5Å; R65-Q118 HydrophobicContact CB-CB 3.85Å; R65-Q118 PolarHBondContact O-N 3.07Å | ||
| 66 | V | 94.2 | Very high | 91.9 | Very high | 13 Ų | 13 | 66.8 Ų | 66.8 | 8% | 0.079 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 145.8 | -178.6 | 62.4 | 0 | 0 | 0 | 0 | 109.5 | V63 A77 G78 Y98 S116 V117 | V63-V66 HydrophobicContact CG1-CB 4.11Å; V66-A77 WeakPolarHBondContact O-CA 2.94Å; V66-G78 PolarHBondContact O-N 2.79Å; V66-Y98 HydrophobicContact CB-CD1 4.11Å; V66-Y98 HydrophobicContact CB-CE1 4.29Å; V66-Y98 HydrophobicContact CB-CG 4.29Å; V66-Y98 HydrophobicContact CG1-CD1 3.72Å; V66-Y98 HydrophobicContact CG1-CD2 3.54Å; V66-Y98 HydrophobicContact CG1-CE1 3.82Å; V66-Y98 HydrophobicContact CG1-CE2 3.7Å; V66-Y98 HydrophobicContact CG1-CG 3.55Å; V66-Y98 HydrophobicContact CG2-CD1 3.27Å; V66-Y98 HydrophobicContact CG2-CE1 3.72Å; V66-Y98 HydrophobicContact CG2-CG 3.74Å; V66-S116 CarbonylContact C-O 3.59Å; V66-S116 VanDerWaalsContact CA-O 3.31Å; V66-S116 WeakPolarHBondContact CA-O 3.3Å; V66-V117 HydrophobicContact CB-CG1 4.29Å; V66-V117 HydrophobicContact CG2-CG1 3.87Å |
| 67 | A | 96.3 | Very high | 91.9 | Very high | 17 Ų | 17 | 60.2 Ų | 60.2 | 14% | 0.14 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 146.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L69 Y76 A77 S116 | A67-L69 HydrophobicContact CB-CD1 4.13Å; A67-Y76 CarbonylContact C-O 3.47Å; A67-Y76 WeakPolarHBondContact CA-O 3.44Å; A67-Y76 WeakPolarHBondContact CB-O 3.32Å; A67-A77 HydrophobicContact CB-CB 4.15Å; A67-S116 PolarHBondContact N-O 3.18Å; A67-S116 PolarHBondContact O-N 3.2Å |
| 68 | W | 97.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 134.2 | 166.5 | -92.2 | 110.3 | 0 | 0 | 0 | 109.3 | M42 L55 C57 L75 Y76 Y98 I100 T114 C115 V128 | M42-W68 HydrophobicContact CE-CH2 3.41Å; M42-W68 VanDerWaalsContact CE-CH2 3.41Å; M42-W68 HydrophobicContact CE-CZ2 3.84Å; M42-W68 HydrophobicContact SD-CH2 3.82Å; M42-W68 HydrophobicContact SD-CZ2 4.33Å; L55-W68 HydrophobicContact CB-CH2 3.83Å; L55-W68 HydrophobicContact CB-CZ2 3.88Å; L55-W68 HydrophobicContact CB-CZ3 4.48Å; L55-W68 HydrophobicContact CD1-CZ3 4.39Å; C57-W68 HydrophobicContact CB-CZ2 3.7Å; W68-L75 HydrophobicContact CB-CB 4.23Å; W68-L75 PolarHBondContact O-N 2.78Å; W68-Y76 PolarHBondContact N-O 2.89Å; W68-Y76 PolarHBondContact O-N 3.36Å; W68-Y98 HydrophobicContact CB-CE1 4.39Å; W68-Y98 AromaticContact CD1-CD1 3.34Å; W68-Y98 AromaticContact CD1-CE1 3.21Å; W68-Y98 HydrophobicContact CG-CD1 4.33Å; W68-Y98 HydrophobicContact CG-CE1 4.02Å; W68-Y98 AromaticContact NE1-CD1 3.53Å; W68-Y98 AromaticContact NE1-CE1 3.92Å; W68-Y98 PolarHBondContact NE1-O 2.91Å; W68-I100 HydrophobicContact CB-CD1 3.96Å; W68-I100 HydrophobicContact CB-CG2 4.39Å; W68-I100 VanDerWaalsContact CD1-CG2 3.43Å; W68-I100 HydrophobicContact CD2-CD1 3.91Å; W68-I100 HydrophobicContact CD2-CG1 4.02Å; W68-I100 HydrophobicContact CE3-CD1 4.31Å; W68-I100 HydrophobicContact CG-CD1 3.75Å; W68-I100 HydrophobicContact CG-CG1 3.96Å; W68-I100 HydrophobicContact CG-CG2 4Å; W68-T114 CarbonylContact C-O 3.59Å; W68-T114 WeakPolarHBondContact CA-O 3.33Å; W68-T114 VanDerWaalsContact CE3-C 3.47Å; W68-C115 HydrophobicContact CD2-CB 4.28Å; W68-C115 HydrophobicContact CE3-CB 4.23Å; W68-C115 HydrophobicContact CH2-CB 3.93Å; W68-C115 HydrophobicContact CZ2-CB 3.98Å; W68-C115 HydrophobicContact CZ3-CB 4.04Å; W68-V128 HydrophobicContact CH2-CG1 3.8Å; W68-V128 HydrophobicContact CZ3-CG1 3.98Å |
| 69 | L | 96.8 | Very high | 92 | Very high | 36 Ų | 36 | 63.8 Ų | 63.8 | 19% | 0.188 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 141.9 | 179.6 | -57.6 | 90.9 | 0 | 0 | 0 | 110.5 | A67 T73 I74 Y113 T114 | A67-L69 HydrophobicContact CB-CD1 4.13Å; L69-T73 CarbonylContact C-O 3.5Å; L69-T73 WeakPolarHBondContact CA-O 3.46Å; L69-T73 WeakPolarHBondContact CB-O 3.32Å; L69-I74 HydrophobicContact CD2-CG1 4.24Å; L69-I74 HydrophobicContact CG-CG1 4.41Å; L69-Y113 WeakPolarHBondContact O-CA 3.42Å; L69-T114 PolarHBondContact N-O 3.04Å; L69-T114 PolarHBondContact O-N 2.79Å |
| 70 | N | 95.7 | Very high | 92.2 | Very high | 39 Ų | 39 | 68.6 Ų | 68.6 | 21% | 0.209 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 117.1 | 162.7 | -178.3 | -4.9 | 0 | 0 | 0 | 107.6 | S72 T73 L75 Y113 | N70-S72 PolarHBondContact O-N 2.89Å; N70-T73 PolarHBondContact N-O 2.9Å; N70-T73 PolarHBondContact O-N 2.89Å; N70-T73 PolarHBondContact O-OG1 2.85Å; N70-L75 HydrophobicContact CB-CD1 4.09Å; N70-L75 HydrophobicContact CB-CD2 3.91Å; N70-L75 HydrophobicContact CB-CG 4.13Å; N70-Y113 HydrophobicContact CB-CD1 4.01Å; N70-Y113 HydrophobicContact CB-CE1 3.82Å |
| 71 | R | 87.4 | Confident | 92.6 | Very high | 195 Ų | 195 | 70.7 Ų | 70.7 | 74% | 0.736 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | -104.4 | -170.4 | -60.1 | 169.3 | -176.3 | -109.5 | 0.3 | 111 | ||
| 72 | S | 86.4 | Confident | 93.2 | Very high | 117 Ų | 117 | 73.7 Ų | 73.7 | 82% | 0.818 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112 | -0.1 | 178.3 | -53.9 | 0 | 0 | 0 | 0 | 113.3 | N70 | N70-S72 PolarHBondContact O-N 2.89Š|
| 73 | T | 93.4 | Very high | 93.7 | Very high | 85 Ų | 85 | 70.2 Ų | 70.2 | 52% | 0.521 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 135 | -179.4 | 61.8 | 0 | 0 | 0 | 0 | 110.4 | L69 N70 | L69-T73 CarbonylContact C-O 3.5Å; L69-T73 WeakPolarHBondContact CA-O 3.46Å; L69-T73 WeakPolarHBondContact CB-O 3.32Å; N70-T73 PolarHBondContact N-O 2.9Å; N70-T73 PolarHBondContact O-N 2.89Å; N70-T73 PolarHBondContact O-OG1 2.85Å |
| 74 | I | 96.1 | Very high | 94.3 | Very high | 72 Ų | 72 | 77.6 Ų | 77.6 | 37% | 0.369 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 125.4 | 173.9 | -58.4 | 174.1 | 0 | 0 | 0 | 107.6 | L69 A77 W82 C83 | L69-I74 HydrophobicContact CD2-CG1 4.24Å; L69-I74 HydrophobicContact CG-CG1 4.41Å; I74-A77 HydrophobicContact CG2-CB 4.2Å; I74-W82 HydrophobicContact CB-CB 4.09Å; I74-W82 HydrophobicContact CB-CG 4.36Å; I74-W82 HydrophobicContact CG2-CB 3.92Å; I74-W82 HydrophobicContact CG2-CG 3.88Å; I74-W82 VanDerWaalsContact O-CB 3.29Å; I74-W82 WeakPolarHBondContact O-CB 3.41Å; I74-C83 PolarHBondContact O-N 3.37Å |
| 75 | L | 97.4 | Very high | 94.9 | Very high | 9 Ų | 9 | 73.8 Ų | 73.8 | 5% | 0.047 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | -52.4 | 172.9 | -57.8 | -178.6 | 0 | 0 | 0 | 110.2 | W68 N70 W82 C83 V88 I100 Y113 | W68-L75 HydrophobicContact CB-CB 4.23Å; W68-L75 PolarHBondContact O-N 2.78Å; N70-L75 HydrophobicContact CB-CD1 4.09Å; N70-L75 HydrophobicContact CB-CD2 3.91Å; N70-L75 HydrophobicContact CB-CG 4.13Å; L75-W82 PolarHBondContact O-N 3.08Å; L75-C83 HydrophobicContact CD2-CB 3.81Å; L75-C83 PolarHBondContact O-N 2.82Å; L75-V88 HydrophobicContact CB-CG1 4.45Å; L75-V88 HydrophobicContact CD1-CG1 4.38Å; L75-I100 HydrophobicContact CD1-CD1 3.65Å; L75-Y113 HydrophobicContact CD1-CD1 3.78Å; L75-Y113 HydrophobicContact CD1-CE1 3.89Å |
| 76 | Y | 98.1 | Very high | 95.2 | Very high | 22 Ų | 22 | 70 Ų | 70 | 9% | 0.086 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 145.9 | 177.9 | -85.8 | -91.4 | 0 | 0 | 0 | 110 | A67 W68 D80 K81 V88 L90 Y98 I100 | A67-Y76 CarbonylContact C-O 3.47Å; A67-Y76 WeakPolarHBondContact CA-O 3.44Å; A67-Y76 WeakPolarHBondContact CB-O 3.32Å; W68-Y76 PolarHBondContact N-O 2.89Å; W68-Y76 PolarHBondContact O-N 3.36Å; Y76-D80 CarbonylContact C-O 3.53Å; Y76-D80 VanDerWaalsContact CA-O 3.27Å; Y76-D80 WeakPolarHBondContact CA-O 3.01Å; Y76-D80 WeakPolarHBondContact CD1-O 3.32Å; Y76-K81 HydrophobicContact CD1-CB 4.05Å; Y76-K81 HydrophobicContact CD2-CG 4.41Å; Y76-K81 HydrophobicContact CE1-CB 3.49Å; Y76-K81 VanDerWaalsContact CE1-CB 3.49Å; Y76-K81 HydrophobicContact CE1-CG 4Å; Y76-K81 HydrophobicContact CE2-CB 4.28Å; Y76-K81 HydrophobicContact CE2-CD 4.19Å; Y76-K81 HydrophobicContact CE2-CG 3.83Å; Y76-K81 WeakPolarHBondContact OH-CD 3.48Å; Y76-V88 HydrophobicContact CD2-CG1 4.28Å; Y76-V88 HydrophobicContact CE2-CG1 4.04Å; Y76-V88 PolarHBondContact OH-O 3.46Å; Y76-L90 HydrophobicContact CD1-CB 4.05Å; Y76-L90 HydrophobicContact CD1-CD2 4.36Å; Y76-L90 HydrophobicContact CE1-CB 3.63Å; Y76-L90 HydrophobicContact CE1-CD2 4.42Å; Y76-L90 HydrophobicContact CE2-CB 4.35Å; Y76-L90 PolarHBondContact OH-N 2.88Å; Y76-Y98 VanDerWaalsContact CB-OH 3.31Å; Y76-Y98 WeakPolarHBondContact CB-OH 3.39Å; Y76-I100 HydrophobicContact CD2-CG2 3.99Å; Y76-I100 HydrophobicContact CG-CG2 4.49Å |
| 77 | A | 96.2 | Very high | 95.4 | Very high | 29 Ų | 29 | 72 Ų | 72 | 24% | 0.24 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 113.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | V66 A67 I74 N79 D80 | V66-A77 WeakPolarHBondContact O-CA 2.94Å; A67-A77 HydrophobicContact CB-CB 4.15Å; I74-A77 HydrophobicContact CG2-CB 4.2Å; A77-N79 PolarHBondContact O-N 2.92Å; A77-D80 PolarHBondContact N-O 2.8Å; A77-D80 PolarHBondContact O-N 2.75Å |
| 78 | G | 94.5 | Very high | 95.5 | Very high | 23 Ų | 23 | 71.4 Ų | 71.4 | 24% | 0.237 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | -122.9 | -165 | 0 | 0 | 0 | 0 | 0 | 110.7 | V66 Y98 | V66-G78 PolarHBondContact O-N 2.79Å; G78-Y98 PolarHBondContact N-OH 2.8Å; G78-Y98 VanDerWaalsContact O-CE2 3.29Å; G78-Y98 WeakPolarHBondContact O-CE2 3.42Å; G78-Y98 PolarHBondContact O-OH 3.12Å |
| 79 | N | 96.1 | Very high | 95.5 | Very high | 115 Ų | 115 | 73.1 Ų | 73.1 | 62% | 0.615 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -8.8 | 177.8 | -66.1 | -31.6 | 0 | 0 | 0 | 113.7 | A77 N93 | A77-N79 PolarHBondContact O-N 2.92Å; N79-N93 PolarHBondContact OD1-ND2 3.43Å |
| 80 | D | 96.7 | Very high | 95.5 | Very high | 107 Ų | 107 | 73.7 Ų | 73.7 | 57% | 0.572 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 126.3 | -173.3 | -58.2 | -38.4 | 0 | 0 | 0 | 109.9 | Y76 A77 W82 | Y76-D80 CarbonylContact C-O 3.53Å; Y76-D80 VanDerWaalsContact CA-O 3.27Å; Y76-D80 WeakPolarHBondContact CA-O 3.01Å; Y76-D80 WeakPolarHBondContact CD1-O 3.32Å; A77-D80 PolarHBondContact N-O 2.8Å; A77-D80 PolarHBondContact O-N 2.75Å; D80-W82 VanDerWaalsContact O-CD1 3.23Å |
| 81 | K | 97.3 | Very high | 95.5 | Very high | 80 Ų | 80 | 75.8 Ų | 75.8 | 35% | 0.348 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 126.6 | 173.8 | -171.2 | 177.2 | -178.3 | 163.3 | 0 | 109.6 | Y76 C83 D85 P86 V88 | Y76-K81 HydrophobicContact CD1-CB 4.05Å; Y76-K81 HydrophobicContact CD2-CG 4.41Å; Y76-K81 HydrophobicContact CE1-CB 3.49Å; Y76-K81 VanDerWaalsContact CE1-CB 3.49Å; Y76-K81 HydrophobicContact CE1-CG 4Å; Y76-K81 HydrophobicContact CE2-CB 4.28Å; Y76-K81 HydrophobicContact CE2-CD 4.19Å; Y76-K81 HydrophobicContact CE2-CG 3.83Å; Y76-K81 WeakPolarHBondContact OH-CD 3.48Å; K81-C83 WeakPolarHBondContact CE-O 3.35Å; K81-C83 VanDerWaalsContact CE-SG 3.53Å; K81-D85 WeakPolarHBondContact CE-O 3.35Å; K81-D85 PolarHBondContact NZ-O 2.96Å; K81-P86 PolarHBondContact NZ-O 2.86Å; K81-V88 VanDerWaalsContact CE-O 3.3Å; K81-V88 WeakPolarHBondContact CE-O 3.48Å; K81-V88 PolarHBondContact NZ-O 2.04Å |
| 82 | W | 97.2 | Very high | 95.9 | Very high | 163 Ų | 163 | 67.4 Ų | 67.4 | 62% | 0.617 | 37% | 0.369 | S | S | * | . | trans | -110.5 | -21.8 | -179.1 | -70.7 | 81.8 | 0 | 0 | 0 | 113 | I74 L75 D80 | I74-W82 HydrophobicContact CB-CB 4.09Å; I74-W82 HydrophobicContact CB-CG 4.36Å; I74-W82 HydrophobicContact CG2-CB 3.92Å; I74-W82 HydrophobicContact CG2-CG 3.88Å; I74-W82 VanDerWaalsContact O-CB 3.29Å; I74-W82 WeakPolarHBondContact O-CB 3.41Å; L75-W82 PolarHBondContact O-N 3.08Å; D80-W82 VanDerWaalsContact O-CD1 3.23Å | ||
| 83 | C | 94.9 | Very high | 96.3 | Very high | 23 Ų | 23 | 64.9 Ų | 64.9 | 16% | 0.155 | 35% | 0.346 | C | S | . | . | trans | -81.5 | 149.9 | 173.9 | 65.4 | 0 | 0 | 0 | 0 | 112.2 | I74 L75 K81 D85 | I74-C83 PolarHBondContact O-N 3.37Å; L75-C83 HydrophobicContact CD2-CB 3.81Å; L75-C83 PolarHBondContact O-N 2.82Å; K81-C83 WeakPolarHBondContact CE-O 3.35Å; K81-C83 VanDerWaalsContact CE-SG 3.53Å; C83-D85 VanDerWaalsContact C-N 3.35Å | ||
| 84 | L | 95.3 | Very high | 96.3 | Very high | 177 Ų | 177 | 64.2 Ų | 64.2 | 93% | 0.927 | 34% | 0.342 | S | S | * | . | trans | -82.6 | -13 | 175.1 | -62.6 | 178.2 | 0 | 0 | 0 | 113.2 | P86 | L84-P86 VanDerWaalsContact O-CD 3.23Å; L84-P86 WeakPolarHBondContact O-CD 3.37Å | ||
| 85 | D | 96 | Very high | 95.8 | Very high | 44 Ų | 44 | 68 Ų | 68 | 24% | 0.235 | 36% | 0.358 | C | S | . | . | trans | -69.4 | 112.1 | -178 | -171.8 | -20.7 | 0 | 0 | 0 | 110.2 | K81 C83 R87 V88 | K81-D85 WeakPolarHBondContact CE-O 3.35Å; K81-D85 PolarHBondContact NZ-O 2.96Å; C83-D85 VanDerWaalsContact C-N 3.35Å; D85-R87 PolarHBondContact O-N 2.65Å; D85-R87 WeakPolarHBondContact OD1-CB 3.44Å; D85-R87 WeakPolarHBondContact OD1-CG 3.37Å; D85-R87 PolarHBondContact OD1-N 2.59Å; D85-R87 IonicContact OD1-NE 2.76Å; D85-R87 PolarHBondContact OD1-NE 2.93Å; D85-R87 VanDerWaalsContact OD1-NE 3.15Å; D85-R87 IonicContact OD2-CZ 2.74Å; D85-R87 IonicContact OD2-NE 3.15Å; D85-R87 PolarHBondContact OD2-NE 2.8Å; D85-R87 IonicContact OD2-NH2 3.3Å; D85-R87 PolarHBondContact OD2-NH2 2.94Å; D85-V88 HydrophobicContact CB-CG2 4.04Å; D85-V88 PolarHBondContact O-N 2.95Å | ||
| 86 | P | 96.6 | Very high | 95.5 | Very high | 103 Ų | 103 | 71.4 Ų | 71.4 | 67% | 0.669 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -23.2 | -177.2 | 28.2 | -35.4 | 0 | 0 | 0 | 112.8 | K81 L84 V88 | K81-P86 PolarHBondContact NZ-O 2.86Å; L84-P86 VanDerWaalsContact O-CD 3.23Å; L84-P86 WeakPolarHBondContact O-CD 3.37Å; P86-V88 VanDerWaalsContact C-N 3.28Å; P86-V88 PolarHBondContact O-N 2.87Å |
| 87 | R | 97.8 | Very high | 95.3 | Very high | 55 Ų | 55 | 73.6 Ų | 73.6 | 21% | 0.208 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -21.8 | -176.8 | -59.1 | 176.9 | -58.8 | 144.1 | 5 | 113.6 | D85 Q103 N104 D109 | D85-R87 PolarHBondContact O-N 2.65Å; D85-R87 WeakPolarHBondContact OD1-CB 3.44Å; D85-R87 WeakPolarHBondContact OD1-CG 3.37Å; D85-R87 PolarHBondContact OD1-N 2.59Å; D85-R87 IonicContact OD1-NE 2.76Å; D85-R87 PolarHBondContact OD1-NE 2.93Å; D85-R87 VanDerWaalsContact OD1-NE 3.15Å; D85-R87 IonicContact OD2-CZ 2.74Å; D85-R87 IonicContact OD2-NE 3.15Å; D85-R87 PolarHBondContact OD2-NE 2.8Å; D85-R87 IonicContact OD2-NH2 3.3Å; D85-R87 PolarHBondContact OD2-NH2 2.94Å; R87-Q103 HydrophobicContact CB-CB 4.4Å; R87-Q103 VanDerWaalsContact CB-O 3.31Å; R87-Q103 WeakPolarHBondContact CB-O 3.46Å; R87-Q103 WeakPolarHBondContact CD-O 3.22Å; R87-Q103 PolarHBondContact O-N 3.22Å; R87-N104 PolarHBondContact NH1-O 3.26Å; R87-D109 IonicContact CZ-OD1 2.79Å; R87-D109 IonicContact CZ-OD2 3.21Å; R87-D109 IonicContact NH1-OD1 3.43Å; R87-D109 IonicContact NH1-OD2 3.73Å; R87-D109 PolarHBondContact NH1-OD2 2.82Å; R87-D109 IonicContact NH2-OD1 3.8Å; R87-D109 PolarHBondContact NH2-OD1 3.15Å; R87-D109 IonicContact NH2-OD2 2.73Å; R87-D109 PolarHBondContact NH2-OD2 2.77Å |
| 88 | V | 97.6 | Very high | 95.3 | Very high | 5 Ų | 5 | 72.2 Ų | 72.2 | 3% | 0.03 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 116.3 | 178.6 | -171.1 | 0 | 0 | 0 | 0 | 109.1 | L75 Y76 K81 D85 P86 I100 E101 I102 | L75-V88 HydrophobicContact CB-CG1 4.45Å; L75-V88 HydrophobicContact CD1-CG1 4.38Å; Y76-V88 HydrophobicContact CD2-CG1 4.28Å; Y76-V88 HydrophobicContact CE2-CG1 4.04Å; Y76-V88 PolarHBondContact OH-O 3.46Å; K81-V88 VanDerWaalsContact CE-O 3.3Å; K81-V88 WeakPolarHBondContact CE-O 3.48Å; K81-V88 PolarHBondContact NZ-O 2.04Å; D85-V88 HydrophobicContact CB-CG2 4.04Å; D85-V88 PolarHBondContact O-N 2.95Å; P86-V88 VanDerWaalsContact C-N 3.28Å; P86-V88 PolarHBondContact O-N 2.87Å; V88-I100 HydrophobicContact CG1-CD1 4.15Å; V88-E101 CarbonylContact C-O 3.52Å; V88-E101 WeakPolarHBondContact CA-O 3.3Å; V88-I102 HydrophobicContact CG2-CG1 4.35Å |
| 89 | V | 97.6 | Very high | 95.4 | Very high | 37 Ų | 37 | 71.1 Ų | 71.1 | 22% | 0.224 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 144.5 | -177.4 | -58.8 | 0 | 0 | 0 | 0 | 110.9 | L91 I100 E101 Q103 | V89-L91 HydrophobicContact CG2-CD2 4.41Å; V89-L91 PolarHBondContact O-N 3.27Å; V89-I100 CarbonylContact O-C 3.53Å; V89-I100 VanDerWaalsContact O-CA 3.27Å; V89-I100 WeakPolarHBondContact O-CA 3.48Å; V89-I100 WeakPolarHBondContact O-CB 3.38Å; V89-E101 HydrophobicContact CG2-CB 3.68Å; V89-E101 HydrophobicContact CG2-CG 4.14Å; V89-E101 PolarHBondContact N-O 3.04Å; V89-E101 PolarHBondContact O-N 2.86Å; V89-Q103 HydrophobicContact CG2-CG 4.47Å |
| 90 | L | 97.6 | Very high | 95.5 | Very high | 47 Ų | 47 | 65.6 Ų | 65.6 | 25% | 0.246 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 118.7 | 172.9 | -175.8 | 67.3 | 0 | 0 | 0 | 109.2 | Y76 N93 Y98 I100 | Y76-L90 HydrophobicContact CD1-CB 4.05Å; Y76-L90 HydrophobicContact CD1-CD2 4.36Å; Y76-L90 HydrophobicContact CE1-CB 3.63Å; Y76-L90 HydrophobicContact CE1-CD2 4.42Å; Y76-L90 HydrophobicContact CE2-CB 4.35Å; Y76-L90 PolarHBondContact OH-N 2.88Å; L90-N93 HydrophobicContact CD2-CB 4.13Å; L90-Y98 HydrophobicContact CD1-CD2 4.21Å; L90-Y98 HydrophobicContact CD1-CE2 3.65Å; L90-I100 HydrophobicContact CD1-CG2 4.04Å |
| 91 | L | 96.6 | Very high | 95.6 | Very high | 83 Ų | 83 | 62.2 Ų | 62.2 | 44% | 0.435 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | -42.7 | 178.1 | -73 | -177.2 | 0 | 0 | 0 | 112.5 | T54 V89 S99 E101 | T54-L91 HydrophobicContact CG2-CD1 3.6Å; V89-L91 HydrophobicContact CG2-CD2 4.41Å; V89-L91 PolarHBondContact O-N 3.27Å; L91-S99 WeakPolarHBondContact CB-O 3.33Å; L91-S99 PolarHBondContact N-O 2.71Å; L91-E101 HydrophobicContact CD1-CB 3.56Å; L91-E101 HydrophobicContact CD2-CB 3.8Å; L91-E101 HydrophobicContact CG-CB 3.53Å |
| 92 | S | 95 | Very high | 95.6 | Very high | 20 Ų | 20 | 58.4 Ų | 58.4 | 14% | 0.14 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 138.7 | -178.3 | 61 | 0 | 0 | 0 | 0 | 111.8 | Q97 Y98 S99 | S92-Q97 WeakPolarHBondContact OG-CG 3.41Å; S92-Y98 CarbonylContact O-C 3.52Å; S92-Y98 VanDerWaalsContact O-CA 3.28Å; S92-Y98 WeakPolarHBondContact O-CA 3.5Å; S92-S99 PolarHBondContact N-O 3.27Å; S92-S99 VanDerWaalsContact N-O 3.1Å; S92-S99 PolarHBondContact O-N 3.16Å; S92-S99 VanDerWaalsContact OG-CB 3.28Å; S92-S99 WeakPolarHBondContact OG-CB 3.19Å; S92-S99 PolarHBondContact OG-N 3.21Å; S92-S99 PolarHBondContact OG-OG 3Å |
| 93 | N | 94.3 | Very high | 95.7 | Very high | 63 Ų | 63 | 54.6 Ų | 54.6 | 34% | 0.337 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 84.3 | 168.6 | -177.2 | 13.6 | 0 | 0 | 0 | 108.3 | N79 L90 Y98 | N79-N93 PolarHBondContact OD1-ND2 3.43Å; L90-N93 HydrophobicContact CD2-CB 4.13Å; N93-Y98 HydrophobicContact CB-CD2 3.88Å; N93-Y98 HydrophobicContact CB-CE2 4.02Å |
| 94 | T | 92.6 | Very high | 95.8 | Very high | 71 Ų | 71 | 58.4 Ų | 58.4 | 44% | 0.436 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -116.9 | 173.8 | 178.5 | 73.1 | 0 | 0 | 0 | 0 | 109.6 | T96 Q97 | T94-T96 PolarHBondContact O-N 2.9Å; T94-T96 PolarHBondContact OG1-N 3.43Å; T94-Q97 PolarHBondContact N-O 2.95Å; T94-Q97 PolarHBondContact O-N 3.39Å; T94-Q97 PolarHBondContact OG1-N 3.02Å; T94-Q97 VanDerWaalsContact OG1-N 3.14Å; T94-Q97 PolarHBondContact OG1-O 2.97Å |
| 95 | Q | 87.4 | Confident | 95.9 | Very high | 152 Ų | 152 | 50 Ų | 50 | 71% | 0.71 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -60.7 | -18.1 | 178.5 | -67.7 | 179.1 | -8.3 | 0 | 0 | 113.8 | N61 | N61-Q95 VanDerWaalsContact CA-O 3.31Å; N61-Q95 WeakPolarHBondContact CA-O 3.34Å |
| 96 | T | 91.2 | Very high | 96 | Very high | 81 Ų | 81 | 50.1 Ų | 50.1 | 50% | 0.497 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -124.3 | -6.7 | -176.9 | 56.4 | 0 | 0 | 0 | 0 | 113.9 | I59 T94 | I59-T96 PolarHBondContact N-O 2.83Å; I59-T96 WeakPolarHBondContact O-CA 3.45Å; T94-T96 PolarHBondContact O-N 2.9Å; T94-T96 PolarHBondContact OG1-N 3.43Å |
| 97 | Q | 93.7 | Very high | 96 | Very high | 67 Ų | 67 | 46.9 Ų | 46.9 | 31% | 0.313 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 131.2 | -174.4 | -166 | -178.9 | -1.8 | 0 | 0 | 112.2 | C57 S92 T94 S99 | C57-Q97 WeakPolarHBondContact O-CA 3Å; S92-Q97 WeakPolarHBondContact OG-CG 3.41Å; T94-Q97 PolarHBondContact N-O 2.95Å; T94-Q97 PolarHBondContact O-N 3.39Å; T94-Q97 PolarHBondContact OG1-N 3.02Å; T94-Q97 VanDerWaalsContact OG1-N 3.14Å; T94-Q97 PolarHBondContact OG1-O 2.97Å; Q97-S99 WeakPolarHBondContact CG-OG 3.49Å; Q97-S99 PolarHBondContact NE2-OG 2.78Å |
| 98 | Y | 95.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 94.8 | 175 | -169.7 | -115.2 | 0 | 0 | 0 | 110.5 | C57 V66 W68 Y76 G78 L90 S92 N93 | C57-Y98 WeakPolarHBondContact CB-O 3.37Å; C57-Y98 PolarHBondContact N-O 2.8Å; C57-Y98 PolarHBondContact O-N 3.09Å; V66-Y98 HydrophobicContact CB-CD1 4.11Å; V66-Y98 HydrophobicContact CB-CE1 4.29Å; V66-Y98 HydrophobicContact CB-CG 4.29Å; V66-Y98 HydrophobicContact CG1-CD1 3.72Å; V66-Y98 HydrophobicContact CG1-CD2 3.54Å; V66-Y98 HydrophobicContact CG1-CE1 3.82Å; V66-Y98 HydrophobicContact CG1-CE2 3.7Å; V66-Y98 HydrophobicContact CG1-CG 3.55Å; V66-Y98 HydrophobicContact CG2-CD1 3.27Å; V66-Y98 HydrophobicContact CG2-CE1 3.72Å; V66-Y98 HydrophobicContact CG2-CG 3.74Å; W68-Y98 HydrophobicContact CB-CE1 4.39Å; W68-Y98 AromaticContact CD1-CD1 3.34Å; W68-Y98 AromaticContact CD1-CE1 3.21Å; W68-Y98 HydrophobicContact CG-CD1 4.33Å; W68-Y98 HydrophobicContact CG-CE1 4.02Å; W68-Y98 AromaticContact NE1-CD1 3.53Å; W68-Y98 AromaticContact NE1-CE1 3.92Å; W68-Y98 PolarHBondContact NE1-O 2.91Å; Y76-Y98 VanDerWaalsContact CB-OH 3.31Å; Y76-Y98 WeakPolarHBondContact CB-OH 3.39Å; G78-Y98 PolarHBondContact N-OH 2.8Å; G78-Y98 VanDerWaalsContact O-CE2 3.29Å; G78-Y98 WeakPolarHBondContact O-CE2 3.42Å; G78-Y98 PolarHBondContact O-OH 3.12Å; L90-Y98 HydrophobicContact CD1-CD2 4.21Å; L90-Y98 HydrophobicContact CD1-CE2 3.65Å; S92-Y98 CarbonylContact O-C 3.52Å; S92-Y98 VanDerWaalsContact O-CA 3.28Å; S92-Y98 WeakPolarHBondContact O-CA 3.5Å; N93-Y98 HydrophobicContact CB-CD2 3.88Å; N93-Y98 HydrophobicContact CB-CE2 4.02Å |
| 99 | S | 96.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 141.3 | -172.3 | -49.1 | 0 | 0 | 0 | 0 | 111.8 | L55 R56 L91 S92 Q97 | L55-S99 VanDerWaalsContact O-CA 3.26Å; L55-S99 WeakPolarHBondContact O-CA 3.2Å; L55-S99 WeakPolarHBondContact O-CB 3.27Å; R56-S99 WeakPolarHBondContact CA-OG 3.42Å; L91-S99 WeakPolarHBondContact CB-O 3.33Å; L91-S99 PolarHBondContact N-O 2.71Å; S92-S99 PolarHBondContact N-O 3.27Å; S92-S99 VanDerWaalsContact N-O 3.1Å; S92-S99 PolarHBondContact O-N 3.16Å; S92-S99 VanDerWaalsContact OG-CB 3.28Å; S92-S99 WeakPolarHBondContact OG-CB 3.19Å; S92-S99 PolarHBondContact OG-N 3.21Å; S92-S99 PolarHBondContact OG-OG 3Å; Q97-S99 WeakPolarHBondContact CG-OG 3.49Å; Q97-S99 PolarHBondContact NE2-OG 2.78Å |
| 100 | I | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 156.5 | 170.9 | 59 | 169.6 | 0 | 0 | 0 | 109.9 | L55 W68 L75 Y76 V88 V89 L90 | L55-I100 HydrophobicContact CB-CG1 4.02Å; L55-I100 HydrophobicContact CD1-CD1 4.16Å; L55-I100 HydrophobicContact CD1-CG1 4.27Å; L55-I100 HydrophobicContact CG-CG1 4.39Å; L55-I100 PolarHBondContact N-O 2.92Å; L55-I100 PolarHBondContact O-N 2.9Å; L55-I100 VanDerWaalsContact O-N 3.16Å; W68-I100 HydrophobicContact CB-CD1 3.96Å; W68-I100 HydrophobicContact CB-CG2 4.39Å; W68-I100 VanDerWaalsContact CD1-CG2 3.43Å; W68-I100 HydrophobicContact CD2-CD1 3.91Å; W68-I100 HydrophobicContact CD2-CG1 4.02Å; W68-I100 HydrophobicContact CE3-CD1 4.31Å; W68-I100 HydrophobicContact CG-CD1 3.75Å; W68-I100 HydrophobicContact CG-CG1 3.96Å; W68-I100 HydrophobicContact CG-CG2 4Å; L75-I100 HydrophobicContact CD1-CD1 3.65Å; Y76-I100 HydrophobicContact CD2-CG2 3.99Å; Y76-I100 HydrophobicContact CG-CG2 4.49Å; V88-I100 HydrophobicContact CG1-CD1 4.15Å; V89-I100 CarbonylContact O-C 3.53Å; V89-I100 VanDerWaalsContact O-CA 3.27Å; V89-I100 WeakPolarHBondContact O-CA 3.48Å; V89-I100 WeakPolarHBondContact O-CB 3.38Å; L90-I100 HydrophobicContact CD1-CG2 4.04Å |
| 101 | E | 98 | Very high | 95.7 | Very high | 35 Ų | 35 | 54.7 Ų | 54.7 | 16% | 0.164 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 141.9 | 167.9 | 169.8 | -179.4 | -109.9 | 0 | 0 | 109.5 | S52 A53 V88 V89 L91 Q103 | S52-E101 VanDerWaalsContact CB-OE1 3.27Å; S52-E101 WeakPolarHBondContact CB-OE1 3.49Å; A53-E101 CarbonylContact O-C 3.52Å; A53-E101 VanDerWaalsContact O-CA 3.24Å; A53-E101 WeakPolarHBondContact O-CA 3.41Å; V88-E101 CarbonylContact C-O 3.52Å; V88-E101 WeakPolarHBondContact CA-O 3.3Å; V89-E101 HydrophobicContact CG2-CB 3.68Å; V89-E101 HydrophobicContact CG2-CG 4.14Å; V89-E101 PolarHBondContact N-O 3.04Å; V89-E101 PolarHBondContact O-N 2.86Å; L91-E101 HydrophobicContact CD1-CB 3.56Å; L91-E101 HydrophobicContact CD2-CB 3.8Å; L91-E101 HydrophobicContact CG-CB 3.53Å; E101-Q103 HydrophobicContact CG-CG 3.94Å; E101-Q103 WeakPolarHBondContact OE2-CG 3.34Å; E101-Q103 PolarHBondContact OE2-NE2 3.38Å |
| 102 | I | 98.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 111.9 | 169.1 | -53.1 | 177.1 | 0 | 0 | 0 | 105.8 | S52 A53 L55 V88 V105 Y113 L130 | S52-I102 CarbonylContact C-O 3.49Å; S52-I102 VanDerWaalsContact CA-O 3.28Å; S52-I102 WeakPolarHBondContact CA-O 3.44Å; A53-I102 PolarHBondContact N-O 3.02Å; A53-I102 PolarHBondContact O-N 3.18Å; L55-I102 HydrophobicContact CD1-CD1 4.21Å; V88-I102 HydrophobicContact CG2-CG1 4.35Å; I102-V105 HydrophobicContact CB-CG2 4.21Å; I102-V105 HydrophobicContact CG2-CG2 4.1Å; I102-V105 VanDerWaalsContact O-CG2 3.3Å; I102-V105 WeakPolarHBondContact O-CG2 3.41Å; I102-Y113 HydrophobicContact CD1-CD1 4.4Å; I102-Y113 HydrophobicContact CD1-CE1 3.6Å; I102-Y113 HydrophobicContact CD1-CE2 4.37Å; I102-L130 HydrophobicContact CD1-CD2 4.13Å |
| 103 | Q | 98.3 | Very high | 95.9 | Very high | 82 Ų | 82 | 52.1 Ų | 52.1 | 38% | 0.383 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -84.7 | 151.8 | -179.2 | -61.4 | -177.3 | -18.3 | 0 | 0 | 111.1 | R87 V89 E101 V105 | R87-Q103 HydrophobicContact CB-CB 4.4Å; R87-Q103 VanDerWaalsContact CB-O 3.31Å; R87-Q103 WeakPolarHBondContact CB-O 3.46Å; R87-Q103 WeakPolarHBondContact CD-O 3.22Å; R87-Q103 PolarHBondContact O-N 3.22Å; V89-Q103 HydrophobicContact CG2-CG 4.47Å; E101-Q103 HydrophobicContact CG-CG 3.94Å; E101-Q103 WeakPolarHBondContact OE2-CG 3.34Å; E101-Q103 PolarHBondContact OE2-NE2 3.38Å; Q103-V105 PolarHBondContact O-N 3.48Å |
| 104 | N | 97.6 | Very high | 96 | Very high | 103 Ų | 103 | 49.9 Ų | 49.9 | 55% | 0.551 | 25% | 0.252 | S | S | * | . | S | Bend | trans | 47.3 | 58.7 | 178 | -173.9 | 41.6 | 0 | 0 | 0 | 111.6 | E51 R87 D106 | E51-N104 PolarHBondContact O-N 2.96Å; R87-N104 PolarHBondContact NH1-O 3.26Å; N104-D106 PolarHBondContact O-N 2.72Å |
| 105 | V | 98.1 | Very high | 96.2 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | trans | -60.9 | 133.2 | -173.7 | 172.1 | 0 | 0 | 0 | 0 | 110.3 | V47 Q49 G50 E51 A53 I102 Q103 D109 L130 V132 | V47-V105 HydrophobicContact CG1-CB 4.12Å; V47-V105 HydrophobicContact CG1-CG1 3.73Å; V47-V105 HydrophobicContact CG1-CG2 4.17Å; Q49-V105 CarbonylContact C-O 3.57Å; Q49-V105 WeakPolarHBondContact CA-O 3.34Å; Q49-V105 WeakPolarHBondContact CG-O 3.38Å; G50-V105 PolarHBondContact N-O 2.89Å; E51-V105 WeakPolarHBondContact O-CB 3.15Å; E51-V105 VanDerWaalsContact O-CG2 3.25Å; E51-V105 WeakPolarHBondContact O-CG2 3.39Å; E51-V105 PolarHBondContact O-N 3.28Å; A53-V105 HydrophobicContact CB-CG2 3.73Å; I102-V105 HydrophobicContact CB-CG2 4.21Å; I102-V105 HydrophobicContact CG2-CG2 4.1Å; I102-V105 VanDerWaalsContact O-CG2 3.3Å; I102-V105 WeakPolarHBondContact O-CG2 3.41Å; Q103-V105 PolarHBondContact O-N 3.48Å; V105-D109 HydrophobicContact CG1-CB 4.2Å; V105-L130 HydrophobicContact CG1-CD2 4.33Å; V105-V132 HydrophobicContact CG1-CB 4.48Å; V105-V132 HydrophobicContact CG1-CG1 4.05Å; V105-V132 HydrophobicContact CG1-CG2 3.58Å | ||
| 106 | D | 97.2 | Very high | 96.5 | Very high | 47 Ų | 47 | 40.3 Ų | 40.3 | 25% | 0.251 | 21% | 0.205 | S | C | . | . | trans | -108.1 | 160.8 | 174.3 | -169.6 | -93.2 | 0 | 0 | 0 | 111 | Q49 N104 Y108 D109 | Q49-D106 PolarHBondContact NE2-OD2 2.97Å; N104-D106 PolarHBondContact O-N 2.72Å; D106-Y108 PolarHBondContact O-N 3.49Å; D106-Y108 VanDerWaalsContact O-N 3.16Å; D106-Y108 WeakPolarHBondContact OD1-CD2 3.25Å; D106-Y108 PolarHBondContact OD1-N 2.73Å; D106-Y108 VanDerWaalsContact OD1-N 3.08Å; D106-D109 PolarHBondContact N-OD2 2.87Å; D106-D109 WeakPolarHBondContact O-CB 3.38Å; D106-D109 PolarHBondContact O-N 2.94Å | ||
| 107 | V | 96.3 | Very high | 96.6 | Very high | 35 Ų | 35 | 36.4 Ų | 36.4 | 21% | 0.212 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -58.3 | -26.9 | 177.8 | -64.9 | 0 | 0 | 0 | 0 | 113 | D109 E110 V132 V134 | V107-D109 VanDerWaalsContact C-N 3.27Å; V107-D109 PolarHBondContact O-N 2.85Å; V107-E110 WeakPolarHBondContact O-CB 3.28Å; V107-E110 PolarHBondContact O-N 3.29Å; V107-V132 HydrophobicContact CG1-CG1 4.31Å; V107-V134 HydrophobicContact CG1-CG2 3.47Å; V107-V134 VanDerWaalsContact CG1-CG2 3.47Å |
| 108 | Y | 95.8 | Very high | 96.3 | Very high | 207 Ų | 207 | 37.6 Ų | 37.6 | 81% | 0.812 | 19% | 0.187 | S | C | * | . | G | 310 helix | trans | -76.3 | -12.2 | 177.1 | -57.6 | -61.2 | 0 | 0 | 0 | 114 | D106 E110 | D106-Y108 PolarHBondContact O-N 3.49Å; D106-Y108 VanDerWaalsContact O-N 3.16Å; D106-Y108 WeakPolarHBondContact OD1-CD2 3.25Å; D106-Y108 PolarHBondContact OD1-N 2.73Å; D106-Y108 VanDerWaalsContact OD1-N 3.08Å; Y108-E110 VanDerWaalsContact C-N 3.25Å |
| 109 | D | 96.5 | Very high | 95.6 | Very high | 17 Ų | 17 | 38 Ų | 38 | 9% | 0.091 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -79.3 | -11.1 | 175.7 | -59 | -40.1 | 0 | 0 | 0 | 112.1 | R87 V105 D106 V107 Y113 L130 | R87-D109 IonicContact CZ-OD1 2.79Å; R87-D109 IonicContact CZ-OD2 3.21Å; R87-D109 IonicContact NH1-OD1 3.43Å; R87-D109 IonicContact NH1-OD2 3.73Å; R87-D109 PolarHBondContact NH1-OD2 2.82Å; R87-D109 IonicContact NH2-OD1 3.8Å; R87-D109 PolarHBondContact NH2-OD1 3.15Å; R87-D109 IonicContact NH2-OD2 2.73Å; R87-D109 PolarHBondContact NH2-OD2 2.77Å; V105-D109 HydrophobicContact CG1-CB 4.2Å; D106-D109 PolarHBondContact N-OD2 2.87Å; D106-D109 WeakPolarHBondContact O-CB 3.38Å; D106-D109 PolarHBondContact O-N 2.94Å; V107-D109 VanDerWaalsContact C-N 3.27Å; V107-D109 PolarHBondContact O-N 2.85Å; D109-Y113 VanDerWaalsContact O-CE2 3.24Å; D109-Y113 WeakPolarHBondContact O-CE2 3.43Å; D109-Y113 PolarHBondContact O-OH 3.04Å; D109-L130 HydrophobicContact CB-CD2 4.16Å |
| 110 | E | 97.2 | Very high | 94.6 | Very high | 70 Ų | 70 | 45.4 Ų | 45.4 | 33% | 0.327 | 23% | 0.229 | S | C | . | . | trans | -59.9 | 137.7 | -179.8 | -167 | 178.6 | 93.8 | 0 | 0 | 112.3 | V107 Y108 L130 V132 R162 | V107-E110 WeakPolarHBondContact O-CB 3.28Å; V107-E110 PolarHBondContact O-N 3.29Å; Y108-E110 VanDerWaalsContact C-N 3.25Å; E110-L130 WeakPolarHBondContact CG-O 3.32Å; E110-V132 HydrophobicContact CB-CB 4.39Å; E110-V132 HydrophobicContact CB-CG2 3.9Å; E110-V132 HydrophobicContact CG-CG2 4.42Å; E110-V132 PolarHBondContact OE2-N 3.39Å; E110-V132 VanDerWaalsContact OE2-N 3.16Å; E110-R162 IonicContact OE1-NH1 3.6Å; E110-R162 PolarHBondContact OE1-NH1 2.9Å; E110-R162 IonicContact OE2-CZ 2.72Å; E110-R162 IonicContact OE2-NH1 3.52Å; E110-R162 PolarHBondContact OE2-NH1 3.32Å | ||
| 111 | G | 96.4 | Very high | 93.4 | Very high | 14 Ų | 14 | 51.8 Ų | 51.8 | 14% | 0.144 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 139.7 | -169 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y113 H129 L130 | G111-Y113 WeakPolarHBondContact O-CD2 3.43Å; G111-H129 WeakPolarHBondContact O-CA 3.4Å; G111-L130 PolarHBondContact N-O 2.82Å; G111-L130 PolarHBondContact O-N 2.91Å |
| 112 | P | 97.3 | Very high | 92.5 | Very high | 44 Ų | 44 | 57 Ų | 57 | 29% | 0.286 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 124.3 | -177.4 | 30.4 | -32.8 | 0 | 0 | 0 | 112.1 | V128 | P112-V128 CarbonylContact C-O 3.52Å; P112-V128 WeakPolarHBondContact CA-O 3.44Å |
| 113 | Y | 97.7 | Very high | 91.9 | Very high | 4 Ų | 4 | 59.7 Ų | 59.7 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 142.5 | 167.5 | -66.9 | -101.8 | 0 | 0 | 0 | 109.2 | L55 L69 N70 L75 I102 D109 G111 R127 V128 L130 | L55-Y113 HydrophobicContact CD1-CD1 3.73Å; L55-Y113 HydrophobicContact CD1-CD2 3.89Å; L55-Y113 HydrophobicContact CD1-CE1 4.36Å; L55-Y113 HydrophobicContact CD1-CG 3.47Å; L55-Y113 VanDerWaalsContact CD1-CG 3.47Å; L69-Y113 WeakPolarHBondContact O-CA 3.42Å; N70-Y113 HydrophobicContact CB-CD1 4.01Å; N70-Y113 HydrophobicContact CB-CE1 3.82Å; L75-Y113 HydrophobicContact CD1-CD1 3.78Å; L75-Y113 HydrophobicContact CD1-CE1 3.89Å; I102-Y113 HydrophobicContact CD1-CD1 4.4Å; I102-Y113 HydrophobicContact CD1-CE1 3.6Å; I102-Y113 HydrophobicContact CD1-CE2 4.37Å; D109-Y113 VanDerWaalsContact O-CE2 3.24Å; D109-Y113 WeakPolarHBondContact O-CE2 3.43Å; D109-Y113 PolarHBondContact O-OH 3.04Å; G111-Y113 WeakPolarHBondContact O-CD2 3.43Å; Y113-R127 WeakPolarHBondContact O-CA 3.39Å; Y113-V128 PolarHBondContact N-O 3.12Å; Y113-V128 PolarHBondContact O-N 3.38Å; Y113-L130 HydrophobicContact CD2-CB 3.97Å; Y113-L130 HydrophobicContact CE2-CB 3.72Å; Y113-L130 HydrophobicContact CE2-CD2 3.95Å; Y113-L130 HydrophobicContact CE2-CG 4.49Å |
| 114 | T | 97.1 | Very high | 91.6 | Very high | 16 Ų | 16 | 58.7 Ų | 58.7 | 10% | 0.098 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 122.1 | -174.7 | -55.7 | 0 | 0 | 0 | 0 | 110.4 | W68 L69 T125 S126 R127 | W68-T114 CarbonylContact C-O 3.59Å; W68-T114 WeakPolarHBondContact CA-O 3.33Å; W68-T114 VanDerWaalsContact CE3-C 3.47Å; L69-T114 PolarHBondContact N-O 3.04Å; L69-T114 PolarHBondContact O-N 2.79Å; T114-T125 HydrophobicContact CG2-CG2 3.79Å; T114-S126 CarbonylContact C-O 3.53Å; T114-S126 WeakPolarHBondContact CA-O 3.28Å; T114-R127 HydrophobicContact CG2-CG 4.23Å |
| 115 | C | 96.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 119.4 | 164.2 | 179.8 | 0 | 0 | 0 | 0 | 108 | F38 M42 C57 W68 T125 S126 | F38-C115 HydrophobicContact CE1-CB 4.44Å; F38-C115 WeakPolarHBondContact CZ-O 3.16Å; M42-C115 HydrophobicContact SD-CB 4.3Å; C57-C115 HydrophobicContact CB-CB 3.64Å; C57-C115 WeakPolarHBondContact CB-SG 3.4Å; C57-C115 WeakPolarHBondContact SG-CB 3.38Å; C57-C115 CovalentContact SG-SG 2.04Å; C57-C115 PolarHBondContact SG-SG 2.69Å; W68-C115 HydrophobicContact CD2-CB 4.28Å; W68-C115 HydrophobicContact CE3-CB 4.23Å; W68-C115 HydrophobicContact CH2-CB 3.93Å; W68-C115 HydrophobicContact CZ2-CB 3.98Å; W68-C115 HydrophobicContact CZ3-CB 4.04Å; C115-T125 CarbonylContact O-C 3.57Å; C115-T125 WeakPolarHBondContact O-CA 3.31Å; C115-S126 PolarHBondContact N-O 2.83Å; C115-S126 PolarHBondContact O-N 2.84Å |
| 116 | S | 94.6 | Very high | 91.1 | Very high | 22 Ų | 22 | 57.6 Ų | 57.6 | 15% | 0.154 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 127.9 | -178.2 | -176 | 0 | 0 | 0 | 0 | 110.1 | V66 A67 K124 | V66-S116 CarbonylContact C-O 3.59Å; V66-S116 VanDerWaalsContact CA-O 3.31Å; V66-S116 WeakPolarHBondContact CA-O 3.3Å; A67-S116 PolarHBondContact N-O 3.18Å; A67-S116 PolarHBondContact O-N 3.2Å; S116-K124 WeakPolarHBondContact CA-O 3.24Å |
| 117 | V | 92.9 | Very high | 91 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 133.5 | 174.6 | -60.9 | 0 | 0 | 0 | 0 | 109.6 | F38 I59 V63 R65 V66 P123 K124 | F38-V117 HydrophobicContact CE1-CG1 3.82Å; F38-V117 HydrophobicContact CE1-CG2 4.32Å; F38-V117 HydrophobicContact CE2-CG2 4.01Å; F38-V117 HydrophobicContact CZ-CB 4.34Å; F38-V117 HydrophobicContact CZ-CG1 3.85Å; F38-V117 HydrophobicContact CZ-CG2 3.72Å; I59-V117 HydrophobicContact CG2-CG1 3.84Å; V63-V117 HydrophobicContact CG1-CB 3.92Å; V63-V117 HydrophobicContact CG1-CG1 3.71Å; V63-V117 HydrophobicContact CG2-CB 4.03Å; V63-V117 HydrophobicContact CG2-CG1 3.97Å; V63-V117 HydrophobicContact CG2-CG2 4.41Å; R65-V117 WeakPolarHBondContact O-CA 3.5Å; V66-V117 HydrophobicContact CB-CG1 4.29Å; V66-V117 HydrophobicContact CG2-CG1 3.87Å; V117-P123 CarbonylContact O-C 3.58Å; V117-P123 VanDerWaalsContact O-CA 3.31Å; V117-P123 WeakPolarHBondContact O-CA 3.28Å; V117-K124 HydrophobicContact CG2-CB 3.97Å; V117-K124 PolarHBondContact N-O 2.89Å; V117-K124 PolarHBondContact O-N 3.3Å |
| 118 | Q | 86.8 | Confident | 91 | Very high | 91 Ų | 91 | 61.2 Ų | 61.2 | 43% | 0.425 | 30% | 0.303 | S | S | . | . | trans | -72.3 | 136.3 | 174.7 | -175.8 | 62.8 | 47.4 | 0 | 0 | 109.5 | R65 | R65-Q118 HydrophobicContact CB-CB 3.85Å; R65-Q118 PolarHBondContact O-N 3.07Å | ||
| 119 | T | 81.5 | Confident | 91.1 | Very high | 9 Ų | 9 | 55.3 Ų | 55.3 | 6% | 0.055 | 28% | 0.283 | C | S | . | . | trans | -126.9 | 174.7 | 169 | 84.5 | 0 | 0 | 0 | 0 | 111.5 | D35 A36 N121 H122 K124 | D35-T119 WeakPolarHBondContact OD1-CB 3.42Å; D35-T119 PolarHBondContact OD1-OG1 2.89Å; A36-T119 HydrophobicContact CB-CG2 4.3Å; T119-N121 VanDerWaalsContact C-N 3.26Å; T119-N121 PolarHBondContact O-N 2.87Å; T119-H122 WeakPolarHBondContact CB-O 3.19Å; T119-H122 PolarHBondContact OG1-N 3.48Å; T119-H122 PolarHBondContact OG1-O 2.87Å; T119-K124 HydrophobicContact CG2-CB 4.3Å; T119-K124 HydrophobicContact CG2-CD 4.13Å; T119-K124 HydrophobicContact CG2-CG 3.91Å | ||
| 120 | D | 75.9 | Confident | 91.2 | Very high | 156 Ų | 156 | 54.6 Ų | 54.6 | 83% | 0.834 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -65.5 | -28.5 | -176.2 | -64.3 | -27 | 0 | 0 | 0 | 112.9 | ||
| 121 | N | 72.8 | Confident | 91.2 | Very high | 134 Ų | 134 | 54.3 Ų | 54.3 | 72% | 0.717 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -107.5 | -43.1 | -176.4 | -64.1 | -42.4 | 0 | 0 | 0 | 113.1 | T119 | T119-N121 VanDerWaalsContact C-N 3.26Å; T119-N121 PolarHBondContact O-N 2.87Å |
| 122 | H | 78.4 | Confident | 91.3 | Very high | 144 Ų | 144 | 53.7 Ų | 53.7 | 67% | 0.667 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -161.1 | 147.5 | -179.3 | -120.5 | 61.7 | 0 | 0 | 0 | 112.3 | T119 K124 | T119-H122 WeakPolarHBondContact CB-O 3.19Å; T119-H122 PolarHBondContact OG1-N 3.48Å; T119-H122 PolarHBondContact OG1-O 2.87Å; H122-K124 PolarHBondContact O-N 2.75Å |
| 123 | P | 85.9 | Confident | 91.3 | Very high | 58 Ų | 58 | 54.4 Ų | 54.4 | 38% | 0.377 | 27% | 0.272 | S | S | . | . | trans | -59.2 | 129.6 | 173.3 | 24.6 | -32.6 | 0 | 0 | 0 | 110.4 | V117 | V117-P123 CarbonylContact O-C 3.58Å; V117-P123 VanDerWaalsContact O-CA 3.31Å; V117-P123 WeakPolarHBondContact O-CA 3.28Å | ||
| 124 | K | 90.9 | Very high | 91.3 | Very high | 61 Ų | 61 | 55.8 Ų | 55.8 | 27% | 0.265 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 139.6 | 170.7 | -71.7 | -173.8 | -167.3 | 157.6 | 0 | 109 | D35 A36 F38 S116 V117 T119 H122 | D35-K124 IonicContact OD1-NZ 2.73Å; D35-K124 WeakPolarHBondContact OD2-CE 3.42Å; D35-K124 IonicContact OD2-NZ 2.82Å; D35-K124 PolarHBondContact OD2-NZ 2.89Å; A36-K124 VanDerWaalsContact O-CD 3.27Å; A36-K124 WeakPolarHBondContact O-CD 3.49Å; A36-K124 WeakPolarHBondContact O-CE 3.37Å; A36-K124 PolarHBondContact O-NZ 3.42Å; F38-K124 HydrophobicContact CE2-CB 4.04Å; F38-K124 WeakPolarHBondContact CE2-O 3.4Å; S116-K124 WeakPolarHBondContact CA-O 3.24Å; V117-K124 HydrophobicContact CG2-CB 3.97Å; V117-K124 PolarHBondContact N-O 2.89Å; V117-K124 PolarHBondContact O-N 3.3Å; T119-K124 HydrophobicContact CG2-CB 4.3Å; T119-K124 HydrophobicContact CG2-CD 4.13Å; T119-K124 HydrophobicContact CG2-CG 3.91Å; H122-K124 PolarHBondContact O-N 2.75Å |
| 125 | T | 93.1 | Very high | 91.4 | Very high | 66 Ų | 66 | 57 Ų | 57 | 41% | 0.405 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 139 | -176.6 | 60.2 | 0 | 0 | 0 | 0 | 112 | T114 C115 | T114-T125 HydrophobicContact CG2-CG2 3.79Å; C115-T125 CarbonylContact O-C 3.57Å; C115-T125 WeakPolarHBondContact O-CA 3.31Å |
| 126 | S | 93.8 | Very high | 91.4 | Very high | 14 Ų | 14 | 57.2 Ų | 57.2 | 10% | 0.098 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 139.5 | 166.1 | -170.2 | 0 | 0 | 0 | 0 | 108.7 | F38 T114 C115 | F38-S126 VanDerWaalsContact CE2-N 3.33Å; T114-S126 CarbonylContact C-O 3.53Å; T114-S126 WeakPolarHBondContact CA-O 3.28Å; C115-S126 PolarHBondContact N-O 2.83Å; C115-S126 PolarHBondContact O-N 2.84Å |
| 127 | R | 94.9 | Very high | 91.6 | Very high | 158 Ų | 158 | 62.4 Ų | 62.4 | 60% | 0.596 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 144.4 | -176 | -65.1 | -171.8 | 178.9 | 106.5 | 0.2 | 110.8 | Y113 T114 | Y113-R127 WeakPolarHBondContact O-CA 3.39Å; T114-R127 HydrophobicContact CG2-CG 4.23Å |
| 128 | V | 96.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 139.5 | 170.1 | 60.4 | 0 | 0 | 0 | 0 | 108.8 | M42 D43 V45 L55 W68 P112 Y113 | M42-V128 HydrophobicContact CB-CB 4.02Å; M42-V128 HydrophobicContact CE-CB 3.71Å; M42-V128 HydrophobicContact CE-CG1 3.68Å; M42-V128 HydrophobicContact CE-CG2 4.3Å; M42-V128 HydrophobicContact SD-CB 4.33Å; M42-V128 HydrophobicContact SD-CG1 4.46Å; D43-V128 WeakPolarHBondContact O-CG2 3.47Å; V45-V128 HydrophobicContact CG2-CG2 3.95Å; L55-V128 HydrophobicContact CB-CG1 4.44Å; L55-V128 HydrophobicContact CD1-CG1 4.3Å; L55-V128 HydrophobicContact CD2-CG1 4.26Å; W68-V128 HydrophobicContact CH2-CG1 3.8Å; W68-V128 HydrophobicContact CZ3-CG1 3.98Å; P112-V128 CarbonylContact C-O 3.52Å; P112-V128 WeakPolarHBondContact CA-O 3.44Å; Y113-V128 PolarHBondContact N-O 3.12Å; Y113-V128 PolarHBondContact O-N 3.38Å |
| 129 | H | 97.4 | Very high | 92.4 | Very high | 84 Ų | 84 | 61.7 Ų | 61.7 | 39% | 0.389 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 125 | 167.8 | -69.9 | 72.2 | 0 | 0 | 0 | 109.6 | N44 V45 G111 | N44-H129 WeakPolarHBondContact CA-O 3.33Å; N44-H129 WeakPolarHBondContact OD1-CB 3.42Å; N44-H129 PolarHBondContact OD1-N 3.03Å; V45-H129 PolarHBondContact N-O 3.21Å; G111-H129 WeakPolarHBondContact O-CA 3.4Å |
| 130 | L | 97.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 122.9 | 163.4 | -179.9 | 59.3 | 0 | 0 | 0 | 107.8 | V45 V47 A53 I102 V105 D109 E110 G111 Y113 V132 | V45-L130 HydrophobicContact CB-CD1 4.28Å; V45-L130 HydrophobicContact CG1-CD1 4.03Å; V45-L130 CarbonylContact O-C 3.53Å; V45-L130 WeakPolarHBondContact O-CA 3.2Å; V47-L130 HydrophobicContact CB-CD1 4.49Å; V47-L130 HydrophobicContact CG1-CD1 3.73Å; A53-L130 HydrophobicContact CB-CD1 3.57Å; A53-L130 HydrophobicContact CB-CD2 4.32Å; I102-L130 HydrophobicContact CD1-CD2 4.13Å; V105-L130 HydrophobicContact CG1-CD2 4.33Å; D109-L130 HydrophobicContact CB-CD2 4.16Å; E110-L130 WeakPolarHBondContact CG-O 3.32Å; G111-L130 PolarHBondContact N-O 2.82Å; G111-L130 PolarHBondContact O-N 2.91Å; Y113-L130 HydrophobicContact CD2-CB 3.97Å; Y113-L130 HydrophobicContact CE2-CB 3.72Å; Y113-L130 HydrophobicContact CE2-CD2 3.95Å; Y113-L130 HydrophobicContact CE2-CG 4.49Å; L130-V132 HydrophobicContact CD2-CG2 4.49Å; L130-V132 HydrophobicContact CG-CG2 4.21Å |
| 131 | I | 97.7 | Very high | 94.2 | Very high | 65 Ų | 65 | 61.2 Ų | 61.2 | 33% | 0.333 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 120.8 | 176.9 | -59.3 | 170.5 | 0 | 0 | 0 | 107.1 | N44 V45 T46 V47 | N44-I131 HydrophobicContact CB-CD1 4.24Å; V45-I131 PolarHBondContact O-N 3.46Å; T46-I131 WeakPolarHBondContact CA-O 3.49Å; T46-I131 HydrophobicContact CG2-CB 4.42Å; T46-I131 HydrophobicContact CG2-CG2 4.31Å; V47-I131 PolarHBondContact N-O 2.93Å |
| 132 | V | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 121.9 | -177.3 | -175.1 | 0 | 0 | 0 | 0 | 109 | V47 Q49 V105 V107 E110 L130 R162 | V47-V132 HydrophobicContact CG1-CG2 4.41Å; Q49-V132 HydrophobicContact CB-CG1 4.18Å; V105-V132 HydrophobicContact CG1-CB 4.48Å; V105-V132 HydrophobicContact CG1-CG1 4.05Å; V105-V132 HydrophobicContact CG1-CG2 3.58Å; V107-V132 HydrophobicContact CG1-CG1 4.31Å; E110-V132 HydrophobicContact CB-CB 4.39Å; E110-V132 HydrophobicContact CB-CG2 3.9Å; E110-V132 HydrophobicContact CG-CG2 4.42Å; E110-V132 PolarHBondContact OE2-N 3.39Å; E110-V132 VanDerWaalsContact OE2-N 3.16Å; L130-V132 HydrophobicContact CD2-CG2 4.49Å; L130-V132 HydrophobicContact CG-CG2 4.21Å; V132-R162 WeakPolarHBondContact O-CD 3.44Å |
| 133 | Q | 98.1 | Very high | 96.3 | Very high | 60 Ų | 60 | 54.1 Ų | 54.1 | 28% | 0.28 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 138.6 | 177.4 | -72.8 | -176.8 | -32.2 | 0 | 0 | 110.7 | T46 V47 R48 Q49 R162 V207 | T46-Q133 HydrophobicContact CG2-CG 3.65Å; V47-Q133 PolarHBondContact O-N 2.87Å; R48-Q133 CarbonylContact C-O 3.59Å; R48-Q133 WeakPolarHBondContact CA-O 3.43Å; Q49-Q133 PolarHBondContact N-O 2.81Å; Q133-R162 CarbonylContact C-O 3.56Å; Q133-R162 VanDerWaalsContact CA-O 3.26Å; Q133-R162 WeakPolarHBondContact CA-O 3.28Å; Q133-V207 HydrophobicContact CB-CB 4.45Å; Q133-V207 HydrophobicContact CB-CG1 3.83Å; Q133-V207 HydrophobicContact CB-CG2 3.7Å; Q133-V207 HydrophobicContact CG-CG2 4.04Å |
| 134 | V | 97.9 | Very high | 96.8 | Very high | 33 Ų | 33 | 56.3 Ų | 56.3 | 20% | 0.2 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 123.4 | 178.2 | -176.7 | 0 | 0 | 0 | 0 | 107.8 | Q49 V107 R162 N205 | Q49-V134 HydrophobicContact CB-CG2 4.25Å; V107-V134 HydrophobicContact CG1-CG2 3.47Å; V107-V134 VanDerWaalsContact CG1-CG2 3.47Å; V134-R162 HydrophobicContact CB-CB 3.89Å; V134-R162 HydrophobicContact CG2-CB 3.95Å; V134-R162 PolarHBondContact N-O 3.26Å; V134-R162 PolarHBondContact O-N 3.23Å; V134-N205 PolarHBondContact O-ND2 3.16Å |
| 135 | S | 97.3 | Very high | 97.1 | Very high | 40 Ų | 40 | 56.3 Ų | 56.3 | 28% | 0.28 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 150.5 | 176.2 | -60.2 | 0 | 0 | 0 | 0 | 111.6 | R48 | R48-S135 PolarHBondContact NE-OG 2.84Å |
| 136 | P | 97.9 | Very high | 97.4 | Very high | 6 Ų | 6 | 56.5 Ų | 56.5 | 4% | 0.039 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 145.5 | -178.4 | 30.7 | -28.3 | 0 | 0 | 0 | 109.7 | T160 P165 A203 N205 V211 | P136-T160 CarbonylContact C-O 3.49Å; P136-T160 WeakPolarHBondContact CA-O 3.5Å; P136-P165 HydrophobicContact CB-CB 3.99Å; P136-P165 HydrophobicContact CB-CG 3.84Å; P136-A203 HydrophobicContact CB-CB 4.46Å; P136-N205 VanDerWaalsContact CD-OD1 3.24Å; P136-N205 WeakPolarHBondContact CD-OD1 3.23Å; P136-V211 HydrophobicContact CG-CG2 4.39Å; P136-V211 VanDerWaalsContact O-CG2 3.25Å; P136-V211 WeakPolarHBondContact O-CG2 3.33Å |
| 137 | K | 97.4 | Very high | 97.6 | Very high | 131 Ų | 131 | 57.1 Ų | 57.1 | 57% | 0.57 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 122.7 | 177.7 | -178.8 | -177.8 | 178.1 | -175.8 | 0 | 109.6 | V139 A159 T160 | K137-V139 PolarHBondContact O-N 3.21Å; K137-A159 CarbonylContact O-C 3.53Å; K137-A159 VanDerWaalsContact O-CA 3.23Å; K137-A159 WeakPolarHBondContact O-CA 3.28Å; K137-T160 PolarHBondContact N-O 2.83Å; K137-T160 PolarHBondContact O-N 3.16Å |
| 138 | I | 98.3 | Very high | 97.7 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 113.5 | 171.3 | -60.4 | 173.8 | 0 | 0 | 0 | 108.5 | E140 I141 A159 A203 V211 R213 | I138-E140 WeakPolarHBondContact CG2-O 3.39Å; I138-I141 HydrophobicContact CG2-CB 4.26Å; I138-A159 HydrophobicContact CG1-CB 4.33Å; I138-A203 HydrophobicContact CD1-CB 4.46Å; I138-A203 HydrophobicContact CG1-CB 3.98Å; I138-V211 HydrophobicContact CD1-CG1 4.13Å; I138-V211 WeakPolarHBondContact CD1-O 3.46Å; I138-V211 HydrophobicContact CG1-CG1 4.15Å; I138-R213 HydrophobicContact CD1-CB 4.04Å; I138-R213 HydrophobicContact CD1-CG 4Å; I138-R213 VanDerWaalsContact O-CZ 3.26Å; I138-R213 PolarHBondContact O-NH1 3.16Å; I138-R213 VanDerWaalsContact O-NH1 3.16Å; I138-R213 PolarHBondContact O-NH2 2.92Å |
| 139 | V | 97.9 | Very high | 97.8 | Very high | 75 Ų | 75 | 56 Ų | 56 | 46% | 0.455 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | -35.6 | -178.5 | -68.1 | 0 | 0 | 0 | 0 | 111.7 | K137 I158 T160 | K137-V139 PolarHBondContact O-N 3.21Å; V139-I158 HydrophobicContact CG2-CB 4.16Å; V139-I158 HydrophobicContact CG2-CG2 3.85Å; V139-I158 WeakPolarHBondContact CG2-O 3.38Å; V139-I158 PolarHBondContact N-O 2.96Å; V139-T160 HydrophobicContact CG1-CG2 3.76Å; V139-T160 HydrophobicContact CG2-CG2 3.96Å |
| 140 | E | 97.6 | Very high | 97.8 | Very high | 113 Ų | 113 | 54.3 Ų | 54.3 | 53% | 0.528 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 140.2 | -179.3 | -171 | 173.9 | 160.4 | 0 | 0 | 110 | I138 C157 I158 | I138-E140 WeakPolarHBondContact CG2-O 3.39Å; E140-C157 WeakPolarHBondContact O-CA 3.44Å; E140-I158 HydrophobicContact CB-CB 4.14Å; E140-I158 HydrophobicContact CB-CD1 4.33Å; E140-I158 HydrophobicContact CB-CG1 4.5Å; E140-I158 PolarHBondContact N-O 2.82Å; E140-I158 PolarHBondContact O-N 3.48Å |
| 141 | I | 97.8 | Very high | 97.8 | Very high | 42 Ų | 42 | 57.8 Ų | 57.8 | 22% | 0.215 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 145.4 | 172.3 | -168.7 | 168.3 | 0 | 0 | 0 | 110 | I138 T156 C157 W169 C201 R213 V215 | I138-I141 HydrophobicContact CG2-CB 4.26Å; I141-T156 CarbonylContact C-O 3.54Å; I141-T156 VanDerWaalsContact CA-O 3.24Å; I141-T156 WeakPolarHBondContact CA-O 3.48Å; I141-C157 HydrophobicContact CG1-CB 4.37Å; I141-W169 HydrophobicContact CD1-CH2 4.31Å; I141-W169 HydrophobicContact CG1-CH2 4.22Å; I141-C201 HydrophobicContact CD1-CB 4.03Å; I141-R213 HydrophobicContact CD1-CB 3.45Å; I141-R213 VanDerWaalsContact CD1-CB 3.45Å; I141-V215 HydrophobicContact CD1-CG2 3.65Å; I141-V215 HydrophobicContact CG1-CG2 3.67Å |
| 142 | S | 97.7 | Very high | 97.7 | Very high | 31 Ų | 31 | 59 Ų | 59 | 22% | 0.217 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 144.7 | 172.3 | -64.1 | 0 | 0 | 0 | 0 | 112.2 | T156 V215 | S142-T156 PolarHBondContact N-O 3.19Å; S142-T156 PolarHBondContact OG-N 3.13Å; S142-V215 WeakPolarHBondContact O-CG2 3.33Å |
| 143 | S | 97.5 | Very high | 97.6 | Very high | 97 Ų | 97 | 59.6 Ų | 59.6 | 68% | 0.678 | 34% | 0.337 | S | S | * | . | P | Polyproline II helix | trans | -76.5 | 165 | 168.9 | 61.6 | 0 | 0 | 0 | 0 | 111.4 | I145 V215 | S143-I145 PolarHBondContact O-N 3.42Å; S143-V215 WeakPolarHBondContact O-CG1 3.44Å |
| 144 | D | 98 | Very high | 97.5 | Very high | 105 Ų | 105 | 59.5 Ų | 59.5 | 56% | 0.561 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -50.5 | 139 | 168.6 | -67.7 | -5.4 | 0 | 0 | 0 | 111.2 | K216 | D144-K216 WeakPolarHBondContact CA-O 3.25Å; D144-K216 HydrophobicContact CB-CB 4.21Å; D144-K216 WeakPolarHBondContact OD1-CB 3.39Å; D144-K216 PolarHBondContact OD1-N 3.46Å |
| 145 | I | 97.1 | Very high | 97.4 | Very high | 60 Ų | 60 | 58.1 Ų | 58.1 | 31% | 0.308 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 142.4 | -174.5 | -173.8 | 169.4 | 0 | 0 | 0 | 111 | S143 I147 I153 L155 K216 V217 T218 | S143-I145 PolarHBondContact O-N 3.42Å; I145-I147 HydrophobicContact CG1-CB 4.5Å; I145-I153 HydrophobicContact CD1-CG2 4.43Å; I145-L155 HydrophobicContact CG2-CD2 4.31Å; I145-K216 PolarHBondContact N-O 2.79Å; I145-V217 HydrophobicContact CG2-CB 4.22Å; I145-V217 HydrophobicContact CG2-CG1 4.11Å; I145-V217 HydrophobicContact CG2-CG2 3.86Å; I145-T218 PolarHBondContact O-N 3.09Å |
| 146 | S | 97.8 | Very high | 97.4 | Very high | 70 Ų | 70 | 57.3 Ų | 57.3 | 49% | 0.49 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 119.3 | 168.1 | -178.1 | 0 | 0 | 0 | 0 | 109 | T218 N220 | S146-T218 VanDerWaalsContact CA-O 3.3Å; S146-T218 WeakPolarHBondContact CA-O 3.31Å; S146-N220 PolarHBondContact OG-ND2 3.37Å; S146-N220 PolarHBondContact OG-OD1 3.03Å |
| 147 | I | 97.9 | Very high | 97.4 | Very high | 28 Ų | 28 | 57 Ų | 57 | 14% | 0.144 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 157 | -174.4 | -161.1 | 168.5 | 0 | 0 | 0 | 110.6 | I145 N151 I153 I191 T218 V219 N220 | I145-I147 HydrophobicContact CG1-CB 4.5Å; I147-N151 HydrophobicContact CD1-CB 3.48Å; I147-N151 VanDerWaalsContact CD1-CB 3.48Å; I147-N151 HydrophobicContact CG1-CB 3.71Å; I147-I153 HydrophobicContact CB-CG2 4.41Å; I147-I153 HydrophobicContact CD1-CG2 3.4Å; I147-I153 VanDerWaalsContact CD1-CG2 3.4Å; I147-I153 HydrophobicContact CG1-CG2 4.45Å; I147-I153 HydrophobicContact CG2-CG2 3.86Å; I147-I191 HydrophobicContact CG2-CG2 3.96Å; I147-T218 PolarHBondContact N-O 3.34Å; I147-V219 CarbonylContact O-C 3.51Å; I147-V219 WeakPolarHBondContact O-CA 3.21Å; I147-N220 PolarHBondContact O-N 2.9Å; I147-N220 PolarHBondContact O-ND2 2.99Å |
| 148 | N | 98.1 | Very high | 97.4 | Very high | 65 Ų | 65 | 52.6 Ų | 52.6 | 35% | 0.348 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 150.9 | 177.1 | -54.9 | -26.5 | 0 | 0 | 0 | 111.2 | N151 N220 | N148-N151 WeakPolarHBondContact CB-OD1 3.49Å; N148-N151 WeakPolarHBondContact O-CB 3.24Å; N148-N151 PolarHBondContact O-N 2.9Å; N148-N151 PolarHBondContact O-OD1 2.71Å; N148-N220 WeakPolarHBondContact CA-O 3.46Å; N148-N220 WeakPolarHBondContact OD1-CB 3.41Å; N148-N220 PolarHBondContact OD1-ND2 2.67Å |
| 149 | E | 97.7 | Very high | 97.4 | Very high | 69 Ų | 69 | 52.6 Ų | 52.6 | 32% | 0.322 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 139.4 | 174.1 | -174.5 | 170.7 | -117.5 | 0 | 0 | 111.6 | N151 R193 V219 N220 | E149-N151 VanDerWaalsContact C-N 3.3Å; E149-N151 PolarHBondContact O-N 2.81Å; E149-R193 WeakPolarHBondContact OE1-CB 3.43Å; E149-R193 WeakPolarHBondContact OE1-CG 2.91Å; E149-R193 IonicContact OE1-CZ 3.56Å; E149-R193 PolarHBondContact OE1-N 3.22Å; E149-R193 VanDerWaalsContact OE1-N 3.12Å; E149-R193 IonicContact OE1-NE 3.56Å; E149-R193 PolarHBondContact OE1-NE 3.08Å; E149-R193 IonicContact OE1-NH2 2.71Å; E149-R193 IonicContact OE2-CZ 2.87Å; E149-R193 IonicContact OE2-NE 2.98Å; E149-R193 IonicContact OE2-NH2 2.74Å; E149-R193 PolarHBondContact OE2-NH2 2.82Å; E149-V219 HydrophobicContact CB-CG1 3.87Å; E149-V219 HydrophobicContact CG-CG1 4.47Å; E149-N220 PolarHBondContact N-O 2.9Å |
| 150 | G | 97.4 | Very high | 97.4 | Very high | 49 Ų | 49 | 52 Ų | 52 | 51% | 0.505 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83 | -4.4 | -178 | 0 | 0 | 0 | 0 | 0 | 114.9 | I191 | G150-I191 PolarHBondContact N-O 2.82Š|
| 151 | N | 98.1 | Very high | 97.3 | Very high | 74 Ų | 74 | 47.4 Ų | 47.4 | 40% | 0.396 | 29% | 0.289 | S | S | . | . | trans | -80.3 | 159.2 | 170.8 | -70.2 | 126.9 | 0 | 0 | 0 | 112.3 | I147 N148 E149 I191 | I147-N151 HydrophobicContact CD1-CB 3.48Å; I147-N151 VanDerWaalsContact CD1-CB 3.48Å; I147-N151 HydrophobicContact CG1-CB 3.71Å; N148-N151 WeakPolarHBondContact CB-OD1 3.49Å; N148-N151 WeakPolarHBondContact O-CB 3.24Å; N148-N151 PolarHBondContact O-N 2.9Å; N148-N151 PolarHBondContact O-OD1 2.71Å; E149-N151 VanDerWaalsContact C-N 3.3Å; E149-N151 PolarHBondContact O-N 2.81Å; N151-I191 VanDerWaalsContact O-CG2 3.31Å; N151-I191 WeakPolarHBondContact O-CG2 3.41Å; N151-I191 PolarHBondContact O-N 3.42Å | ||
| 152 | N | 96.8 | Very high | 97.3 | Very high | 91 Ų | 91 | 50.3 Ų | 50.3 | 49% | 0.487 | 30% | 0.297 | S | S | . | . | trans | -88.8 | 142.9 | 174.1 | -58.3 | -16 | 0 | 0 | 0 | 109.9 | I188 Q189 G190 | N152-I188 CarbonylContact C-O 3.58Å; N152-I188 VanDerWaalsContact CA-O 3.28Å; N152-I188 WeakPolarHBondContact CA-O 3.32Å; N152-Q189 PolarHBondContact ND2-OE1 3.47Å; N152-Q189 WeakPolarHBondContact OD1-CA 3.45Å; N152-Q189 PolarHBondContact OD1-OE1 3.28Å; N152-G190 PolarHBondContact OD1-N 2.75Å | ||
| 153 | I | 95.4 | Very high | 97.2 | Very high | 11 Ų | 11 | 52.1 Ų | 52.1 | 6% | 0.056 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 151.8 | 171.5 | 63.6 | 163.9 | 0 | 0 | 0 | 111.1 | I145 I147 L155 E187 I188 I191 V217 | I145-I153 HydrophobicContact CD1-CG2 4.43Å; I147-I153 HydrophobicContact CB-CG2 4.41Å; I147-I153 HydrophobicContact CD1-CG2 3.4Å; I147-I153 VanDerWaalsContact CD1-CG2 3.4Å; I147-I153 HydrophobicContact CG1-CG2 4.45Å; I147-I153 HydrophobicContact CG2-CG2 3.86Å; I153-L155 HydrophobicContact CD1-CD2 4.41Å; I153-L155 HydrophobicContact CD1-CG 4.3Å; I153-E187 WeakPolarHBondContact O-CA 3.3Å; I153-I188 HydrophobicContact CD1-CB 4.38Å; I153-I188 HydrophobicContact CD1-CD1 4.09Å; I153-I188 HydrophobicContact CG1-CB 3.74Å; I153-I188 HydrophobicContact CG1-CD1 4.37Å; I153-I188 HydrophobicContact CG1-CG1 4.41Å; I153-I188 PolarHBondContact N-O 2.85Å; I153-I188 PolarHBondContact O-N 3.22Å; I153-I191 HydrophobicContact CD1-CD1 3.63Å; I153-I191 HydrophobicContact CG1-CD1 4.16Å; I153-V217 HydrophobicContact CD1-CG1 4.08Å; I153-V217 HydrophobicContact CD1-CG2 4.3Å |
| 154 | S | 95.8 | Very high | 97.2 | Very high | 59 Ų | 59 | 53.8 Ų | 53.8 | 41% | 0.413 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 118.1 | 167.1 | -177.3 | 0 | 0 | 0 | 0 | 107.5 | L186 | S154-L186 CarbonylContact C-O 3.59Å; S154-L186 WeakPolarHBondContact CA-O 3.46Å |
| 155 | L | 96.9 | Very high | 97.1 | Very high | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.016 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 141.3 | 171.3 | -54.6 | -178.4 | 0 | 0 | 0 | 108.8 | I145 I153 W169 Y185 L186 Y199 V215 V217 | I145-L155 HydrophobicContact CG2-CD2 4.31Å; I153-L155 HydrophobicContact CD1-CD2 4.41Å; I153-L155 HydrophobicContact CD1-CG 4.3Å; L155-W169 HydrophobicContact CB-CH2 3.78Å; L155-W169 HydrophobicContact CB-CZ2 3.84Å; L155-W169 HydrophobicContact CB-CZ3 4.35Å; L155-W169 HydrophobicContact CD1-CH2 4.36Å; L155-W169 HydrophobicContact CD1-CZ3 4.16Å; L155-Y185 CarbonylContact O-C 3.48Å; L155-Y185 VanDerWaalsContact O-CA 3.28Å; L155-Y185 WeakPolarHBondContact O-CA 3.27Å; L155-L186 HydrophobicContact CB-CB 4.31Å; L155-L186 HydrophobicContact CD1-CD2 4.28Å; L155-L186 PolarHBondContact N-O 2.81Å; L155-L186 PolarHBondContact O-N 2.99Å; L155-Y199 HydrophobicContact CD1-CD1 3.92Å; L155-Y199 HydrophobicContact CD1-CE1 4.46Å; L155-Y199 HydrophobicContact CD1-CG 4Å; L155-V215 HydrophobicContact CD2-CG1 4.28Å; L155-V217 HydrophobicContact CD1-CG2 3.96Å; L155-V217 HydrophobicContact CD2-CG2 4.35Å |
| 156 | T | 97.3 | Very high | 97.1 | Very high | 23 Ų | 23 | 50.4 Ų | 50.4 | 14% | 0.141 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 137.7 | -177.2 | -57 | 0 | 0 | 0 | 0 | 109.9 | I141 S142 I158 E184 Y185 | I141-T156 CarbonylContact C-O 3.54Å; I141-T156 VanDerWaalsContact CA-O 3.24Å; I141-T156 WeakPolarHBondContact CA-O 3.48Å; S142-T156 PolarHBondContact N-O 3.19Å; S142-T156 PolarHBondContact OG-N 3.13Å; T156-I158 HydrophobicContact CG2-CD1 3.97Å; T156-I158 HydrophobicContact CG2-CG1 3.87Å; T156-E184 CarbonylContact C-O 3.1Å; T156-E184 WeakPolarHBondContact CA-O 3.32Å; T156-Y185 HydrophobicContact CG2-CD1 4.12Å; T156-Y185 HydrophobicContact CG2-CE1 3.66Å; T156-Y185 WeakPolarHBondContact OG1-CD1 3.37Å; T156-Y185 WeakPolarHBondContact OG1-CE1 3.27Å |
| 157 | C | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 111.4 | 171.4 | -175.2 | 0 | 0 | 0 | 0 | 109.2 | E140 I141 V167 W169 E184 C201 | E140-C157 WeakPolarHBondContact O-CA 3.44Å; I141-C157 HydrophobicContact CG1-CB 4.37Å; C157-V167 HydrophobicContact CB-CG1 4.14Å; C157-W169 HydrophobicContact CB-CH2 3.98Å; C157-W169 HydrophobicContact CB-CZ2 3.3Å; C157-E184 PolarHBondContact N-O 3.41Å; C157-E184 WeakPolarHBondContact O-CA 3.45Å; C157-E184 WeakPolarHBondContact O-CB 3.41Å; C157-C201 HydrophobicContact CB-CB 3.58Å; C157-C201 WeakPolarHBondContact CB-SG 3.38Å; C157-C201 WeakPolarHBondContact SG-CB 3.18Å; C157-C201 CovalentContact SG-SG 2.01Å; C157-C201 PolarHBondContact SG-SG 3.22Å |
| 158 | I | 97.5 | Very high | 97 | Very high | 38 Ų | 38 | 47.9 Ų | 47.9 | 20% | 0.195 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 129.3 | -178.1 | -57.9 | 169.8 | 0 | 0 | 0 | 107.6 | V139 E140 T156 | V139-I158 HydrophobicContact CG2-CB 4.16Å; V139-I158 HydrophobicContact CG2-CG2 3.85Å; V139-I158 WeakPolarHBondContact CG2-O 3.38Å; V139-I158 PolarHBondContact N-O 2.96Å; E140-I158 HydrophobicContact CB-CB 4.14Å; E140-I158 HydrophobicContact CB-CD1 4.33Å; E140-I158 HydrophobicContact CB-CG1 4.5Å; E140-I158 PolarHBondContact N-O 2.82Å; E140-I158 PolarHBondContact O-N 3.48Å; T156-I158 HydrophobicContact CG2-CD1 3.97Å; T156-I158 HydrophobicContact CG2-CG1 3.87Å |
| 159 | A | 97.8 | Very high | 96.9 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 2% | 0.017 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 149.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | K137 I138 P165 V167 A203 | K137-A159 CarbonylContact O-C 3.53Å; K137-A159 VanDerWaalsContact O-CA 3.23Å; K137-A159 WeakPolarHBondContact O-CA 3.28Å; I138-A159 HydrophobicContact CG1-CB 4.33Å; A159-P165 HydrophobicContact CB-CB 4.23Å; A159-P165 HydrophobicContact CB-CG 4.3Å; A159-V167 HydrophobicContact CB-CG2 3.96Å; A159-A203 HydrophobicContact CB-CB 3.39Å |
| 160 | T | 97.1 | Very high | 96.7 | Very high | 63 Ų | 63 | 46.7 Ų | 46.7 | 39% | 0.387 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 147.7 | 175.3 | 59.8 | 0 | 0 | 0 | 0 | 109.3 | P136 K137 V139 P165 | P136-T160 CarbonylContact C-O 3.49Å; P136-T160 WeakPolarHBondContact CA-O 3.5Å; K137-T160 PolarHBondContact N-O 2.83Å; K137-T160 PolarHBondContact O-N 3.16Å; V139-T160 HydrophobicContact CG1-CG2 3.76Å; V139-T160 HydrophobicContact CG2-CG2 3.96Å; T160-P165 VanDerWaalsContact C-CG 3.49Å |
| 161 | G | 97 | Very high | 96.5 | Very high | 16 Ų | 16 | 44.8 Ų | 44.8 | 17% | 0.165 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.4 | 176.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | P163 | G161-P163 CarbonylContact C-O 3.58Å; G161-P163 CarbonylContact O-C 3.51Å |
| 162 | R | 96.6 | Very high | 96.2 | Very high | 103 Ų | 103 | 43 Ų | 43 | 39% | 0.389 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 112.2 | 173.1 | -175.4 | -179.3 | -76.9 | -153 | 0.2 | 109.3 | E110 V132 Q133 V134 N205 | E110-R162 IonicContact OE1-NH1 3.6Å; E110-R162 PolarHBondContact OE1-NH1 2.9Å; E110-R162 IonicContact OE2-CZ 2.72Å; E110-R162 IonicContact OE2-NH1 3.52Å; E110-R162 PolarHBondContact OE2-NH1 3.32Å; V132-R162 WeakPolarHBondContact O-CD 3.44Å; Q133-R162 CarbonylContact C-O 3.56Å; Q133-R162 VanDerWaalsContact CA-O 3.26Å; Q133-R162 WeakPolarHBondContact CA-O 3.28Å; V134-R162 HydrophobicContact CB-CB 3.89Å; V134-R162 HydrophobicContact CG2-CB 3.95Å; V134-R162 PolarHBondContact N-O 3.26Å; V134-R162 PolarHBondContact O-N 3.23Å; R162-N205 PolarHBondContact N-ND2 2.82Å |
| 163 | P | 96.4 | Very high | 95.7 | Very high | 68 Ų | 68 | 39.7 Ų | 39.7 | 44% | 0.442 | 21% | 0.214 | S | C | . | . | S | Bend | cis | -60.3 | 164.7 | 0.2 | -22.2 | 35.3 | 0 | 0 | 0 | 113.8 | G161 N205 | G161-P163 CarbonylContact C-O 3.58Å; G161-P163 CarbonylContact O-C 3.51Å; P163-N205 VanDerWaalsContact O-CB 3.25Å; P163-N205 WeakPolarHBondContact O-CB 3.24Å; P163-N205 PolarHBondContact O-ND2 2.83Å |
| 164 | E | 96.1 | Very high | 94.7 | Very high | 132 Ų | 132 | 45.8 Ų | 45.8 | 62% | 0.617 | 25% | 0.254 | S | S | * | . | P | Polyproline II helix | trans | -55.3 | 127.6 | 178.4 | -165.2 | 60.4 | -134.2 | 0 | 0 | 109.9 | ||
| 165 | P | 97.1 | Very high | 93.6 | Very high | 14 Ų | 14 | 52.6 Ų | 52.6 | 9% | 0.091 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 142.2 | -176.6 | -16.9 | 31.5 | 0 | 0 | 0 | 113.3 | P136 A159 T160 A203 S204 N205 | P136-P165 HydrophobicContact CB-CB 3.99Å; P136-P165 HydrophobicContact CB-CG 3.84Å; A159-P165 HydrophobicContact CB-CB 4.23Å; A159-P165 HydrophobicContact CB-CG 4.3Å; T160-P165 VanDerWaalsContact C-CG 3.49Å; P165-A203 HydrophobicContact CB-CB 4.37Å; P165-S204 CarbonylContact C-O 3.53Å; P165-S204 VanDerWaalsContact CA-O 3.26Å; P165-S204 WeakPolarHBondContact CA-O 3.4Å; P165-N205 HydrophobicContact CB-CB 4.28Å; P165-N205 HydrophobicContact CG-CB 4.38Å |
| 166 | T | 97.1 | Very high | 92.5 | Very high | 81 Ų | 81 | 53.7 Ų | 53.7 | 50% | 0.497 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 127.1 | 163.8 | -54.1 | 0 | 0 | 0 | 0 | 109.2 | T168 A203 S204 | T166-T168 HydrophobicContact CG2-CG2 4.42Å; T166-A203 WeakPolarHBondContact O-CA 3.34Å; T166-S204 PolarHBondContact N-O 3.4Å; T166-S204 PolarHBondContact O-N 2.79Å |
| 167 | V | 97.3 | Very high | 91 | Very high | 7 Ų | 7 | 59 Ų | 59 | 4% | 0.042 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 138.6 | 174.4 | 174.8 | 0 | 0 | 0 | 0 | 109.8 | C157 A159 E182 E184 C201 S202 A203 | C157-V167 HydrophobicContact CB-CG1 4.14Å; A159-V167 HydrophobicContact CB-CG2 3.96Å; V167-E182 CarbonylContact O-C 3.59Å; V167-E182 WeakPolarHBondContact O-CA 3.1Å; V167-E184 HydrophobicContact CG2-CG 4.37Å; V167-C201 VanDerWaalsContact CG1-SG 3.57Å; V167-S202 CarbonylContact C-O 3.58Å; V167-S202 WeakPolarHBondContact CA-O 3.23Å; V167-A203 HydrophobicContact CG2-CB 4.36Å |
| 168 | T | 96.3 | Very high | 89.3 | Confident | 38 Ų | 38 | 61.8 Ų | 61.8 | 23% | 0.233 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 135.4 | 178 | 54.3 | 0 | 0 | 0 | 0 | 110.7 | T166 S181 E182 C201 S202 | T166-T168 HydrophobicContact CG2-CG2 4.42Å; T168-S181 CarbonylContact C-O 3.44Å; T168-S181 VanDerWaalsContact CA-O 3.27Å; T168-S181 WeakPolarHBondContact CA-O 3.02Å; T168-E182 HydrophobicContact CG2-CG 4.15Å; T168-C201 CarbonylContact O-C 3.59Å; T168-C201 WeakPolarHBondContact O-CA 3.26Å; T168-S202 PolarHBondContact N-O 3.21Å; T168-S202 PolarHBondContact O-N 2.8Å; T168-S202 WeakPolarHBondContact OG1-CB 3.05Å; T168-S202 PolarHBondContact OG1-O 2.73Å; T168-S202 VanDerWaalsContact OG1-O 3.04Å |
| 169 | W | 96.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 143.4 | 174.3 | -75.4 | 99.5 | 0 | 0 | 0 | 111.5 | I141 L155 C157 V180 S181 D183 E184 L186 E200 C201 V215 | I141-W169 HydrophobicContact CD1-CH2 4.31Å; I141-W169 HydrophobicContact CG1-CH2 4.22Å; L155-W169 HydrophobicContact CB-CH2 3.78Å; L155-W169 HydrophobicContact CB-CZ2 3.84Å; L155-W169 HydrophobicContact CB-CZ3 4.35Å; L155-W169 HydrophobicContact CD1-CH2 4.36Å; L155-W169 HydrophobicContact CD1-CZ3 4.16Å; C157-W169 HydrophobicContact CB-CH2 3.98Å; C157-W169 HydrophobicContact CB-CZ2 3.3Å; W169-V180 VanDerWaalsContact O-CA 3.3Å; W169-V180 WeakPolarHBondContact O-CA 3.48Å; W169-S181 PolarHBondContact N-O 2.9Å; W169-S181 PolarHBondContact O-N 3.26Å; W169-D183 PolarHBondContact NE1-O 2.93Å; W169-E184 PolarHBondContact NE1-O 2.87Å; W169-L186 HydrophobicContact CB-CB 4.31Å; W169-L186 HydrophobicContact CB-CD2 4.12Å; W169-L186 HydrophobicContact CD2-CB 4.09Å; W169-L186 HydrophobicContact CD2-CD2 4.41Å; W169-L186 HydrophobicContact CG-CB 3.83Å; W169-L186 HydrophobicContact CG-CD2 4.28Å; W169-E200 CarbonylContact C-O 3.52Å; W169-E200 WeakPolarHBondContact CA-O 3.25Å; W169-C201 HydrophobicContact CD2-CB 4.08Å; W169-C201 HydrophobicContact CE3-CB 3.88Å; W169-C201 HydrophobicContact CH2-CB 3.93Å; W169-C201 HydrophobicContact CZ2-CB 4.13Å; W169-C201 HydrophobicContact CZ3-CB 3.79Å; W169-V215 HydrophobicContact CH2-CG2 4.04Å; W169-V215 HydrophobicContact CZ3-CG2 4.16Å |
| 170 | R | 93.6 | Very high | 87.2 | Confident | 109 Ų | 109 | 67.3 Ų | 67.3 | 41% | 0.411 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 134.1 | 175.2 | -171.7 | 172.9 | 62.6 | 92.4 | -1.6 | 111.2 | I172 Y199 E200 | R170-I172 HydrophobicContact CB-CG2 4.32Å; R170-I172 HydrophobicContact CG-CG2 4.22Å; R170-I172 VanDerWaalsContact NH2-CG2 3.28Å; R170-I172 WeakPolarHBondContact O-CG2 2.94Å; R170-I172 PolarHBondContact O-N 2.85Å; R170-Y199 CarbonylContact O-C 3.52Å; R170-Y199 WeakPolarHBondContact O-CA 3.38Å; R170-E200 IonicContact CZ-OE1 3.38Å; R170-E200 PolarHBondContact N-O 2.91Å; R170-E200 IonicContact NE-OE1 2.91Å; R170-E200 IonicContact NH2-OE1 2.84Å; R170-E200 PolarHBondContact NH2-OE1 2.8Å; R170-E200 PolarHBondContact O-N 2.84Å |
| 171 | H | 93.1 | Very high | 86.7 | Confident | 8 Ų | 8 | 65.4 Ų | 65.4 | 4% | 0.037 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 117.3 | 166.3 | -172.9 | -148.1 | 0 | 0 | 0 | 109 | S173 A176 F179 Q195 S196 D198 Y199 | H171-S173 PolarHBondContact NE2-OG 3.27Å; H171-A176 HydrophobicContact CB-CB 4.05Å; H171-A176 WeakPolarHBondContact ND1-CB 3.35Å; H171-F179 HydrophobicContact CB-CD1 4.12Å; H171-F179 HydrophobicContact CB-CE1 3.4Å; H171-F179 VanDerWaalsContact CB-CE1 3.4Å; H171-F179 HydrophobicContact CB-CZ 3.76Å; H171-Q195 PolarHBondContact CE1-O 2.74Å; H171-Q195 PolarHBondContact NE2-O 2.81Å; H171-S196 PolarHBondContact NE2-O 2.01Å; H171-D198 PolarHBondContact CD2-O 2.88Å; H171-D198 VanDerWaalsContact CD2-O 3.26Å; H171-Y199 HydrophobicContact CB-CD1 4.49Å; H171-Y199 HydrophobicContact CB-CE1 4.42Å; H171-Y199 AromaticContact CD2-CD2 3.77Å; H171-Y199 AromaticContact CD2-CE2 3.48Å; H171-Y199 VanDerWaalsContact CD2-CE2 3.48Å; H171-Y199 WeakPolarHBondContact CD2-CE2 3.06Å; H171-Y199 AromaticContact CD2-CZ 3.8Å; H171-Y199 AromaticContact NE2-CE2 3.76Å |
| 172 | I | 91 | Very high | 86.3 | Confident | 36 Ų | 36 | 71.3 Ų | 71.3 | 19% | 0.185 | 39% | 0.389 | C | S | . | . | trans | -102.2 | 7.3 | -168.4 | 68.5 | 167.2 | 0 | 0 | 0 | 113.3 | R170 D198 E200 R214 | R170-I172 HydrophobicContact CB-CG2 4.32Å; R170-I172 HydrophobicContact CG-CG2 4.22Å; R170-I172 VanDerWaalsContact NH2-CG2 3.28Å; R170-I172 WeakPolarHBondContact O-CG2 2.94Å; R170-I172 PolarHBondContact O-N 2.85Å; I172-D198 HydrophobicContact CD1-CB 3.99Å; I172-D198 HydrophobicContact CG1-CB 3.73Å; I172-D198 VanDerWaalsContact CG1-O 3.28Å; I172-D198 WeakPolarHBondContact CG1-O 3.47Å; I172-D198 PolarHBondContact N-O 2.83Å; I172-E200 HydrophobicContact CD1-CB 4.39Å; I172-E200 HydrophobicContact CG2-CB 3.48Å; I172-E200 VanDerWaalsContact CG2-CB 3.48Å; I172-E200 HydrophobicContact CG2-CG 4.49Å; I172-R214 HydrophobicContact CD1-CG 4.37Å; I172-R214 VanDerWaalsContact CD1-CZ 3.47Å | ||
| 173 | S | 85.3 | Confident | 86.1 | Confident | 22 Ų | 22 | 71.4 Ų | 71.4 | 15% | 0.154 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -72.3 | 143.1 | -177.7 | -61 | 0 | 0 | 0 | 0 | 110.8 | H171 K175 A176 G197 D198 | H171-S173 PolarHBondContact NE2-OG 3.27Å; S173-K175 PolarHBondContact O-N 2.86Å; S173-A176 WeakPolarHBondContact O-CB 3.36Å; S173-A176 PolarHBondContact O-N 2.81Å; S173-G197 WeakPolarHBondContact OG-CA 3.31Å; S173-D198 PolarHBondContact OG-N 3.45Å |
| 174 | P | 76.3 | Confident | 85.9 | Confident | 139 Ų | 139 | 71.6 Ų | 71.6 | 90% | 0.903 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -22.9 | -172.3 | -26.4 | 33.9 | 0 | 0 | 0 | 115.7 | ||
| 175 | K | 72 | Confident | 85.9 | Confident | 202 Ų | 202 | 70.9 Ų | 70.9 | 88% | 0.878 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | 2.3 | 179.4 | -63.3 | -175.4 | 178.5 | -177.9 | 0 | 113.2 | S173 | S173-K175 PolarHBondContact O-N 2.86Š|
| 176 | A | 72.9 | Confident | 85.8 | Confident | 26 Ų | 26 | 70.6 Ų | 70.6 | 22% | 0.215 | 38% | 0.383 | C | S | . | . | trans | -67.5 | 132.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | H171 S173 G178 | H171-A176 HydrophobicContact CB-CB 4.05Å; H171-A176 WeakPolarHBondContact ND1-CB 3.35Å; S173-A176 WeakPolarHBondContact O-CB 3.36Å; S173-A176 PolarHBondContact O-N 2.81Å; A176-G178 PolarHBondContact O-N 3.48Å | ||
| 177 | V | 65.9 | Low | 85.6 | Confident | 134 Ų | 134 | 73 Ų | 73 | 81% | 0.812 | 39% | 0.388 | S | S | * | . | trans | -71 | 111.4 | 157 | -177.1 | 0 | 0 | 0 | 0 | 105 | F179 | V177-F179 VanDerWaalsContact C-N 3.29Å; V177-F179 PolarHBondContact O-N 2.98Å | ||
| 178 | G | 61.9 | Low | 85.5 | Confident | 60 Ų | 60 | 73.3 Ų | 73.3 | 62% | 0.619 | 39% | 0.389 | S | S | * | . | trans | -62.2 | 86.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A176 | A176-G178 PolarHBondContact O-N 3.48Š| ||
| 179 | F | 73 | Confident | 85.4 | Confident | 62 Ų | 62 | 77.4 Ų | 77.4 | 27% | 0.272 | 41% | 0.406 | S | S | . | . | trans | -84.4 | 143.1 | 166.2 | 73.8 | -93.4 | 0 | 0 | 0 | 108.4 | H171 V177 L186 I188 Y199 | H171-F179 HydrophobicContact CB-CD1 4.12Å; H171-F179 HydrophobicContact CB-CE1 3.4Å; H171-F179 VanDerWaalsContact CB-CE1 3.4Å; H171-F179 HydrophobicContact CB-CZ 3.76Å; V177-F179 VanDerWaalsContact C-N 3.29Å; V177-F179 PolarHBondContact O-N 2.98Å; F179-L186 HydrophobicContact CD2-CD1 4.37Å; F179-L186 HydrophobicContact CE2-CD1 3.65Å; F179-L186 HydrophobicContact CE2-CD2 3.75Å; F179-L186 HydrophobicContact CE2-CG 4.35Å; F179-L186 HydrophobicContact CZ-CD2 4Å; F179-I188 HydrophobicContact CZ-CD1 4.2Å; F179-Y199 HydrophobicContact CE1-CE1 4.29Å; F179-Y199 HydrophobicContact CZ-CD1 4.11Å; F179-Y199 AromaticContact CZ-CE1 3.59Å; F179-Y199 HydrophobicContact CZ-CE1 3.59Å | ||
| 180 | V | 78.4 | Confident | 85.4 | Confident | 93 Ų | 93 | 79 Ų | 79 | 56% | 0.564 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 132.9 | 175.6 | -178.8 | 0 | 0 | 0 | 0 | 107 | W169 | W169-V180 VanDerWaalsContact O-CA 3.3Å; W169-V180 WeakPolarHBondContact O-CA 3.48Å |
| 181 | S | 87.1 | Confident | 85.5 | Confident | 23 Ų | 23 | 73.8 Ų | 73.8 | 16% | 0.161 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 136.2 | 172.7 | 158.9 | 0 | 0 | 0 | 0 | 108 | T168 W169 | T168-S181 CarbonylContact C-O 3.44Å; T168-S181 VanDerWaalsContact CA-O 3.27Å; T168-S181 WeakPolarHBondContact CA-O 3.02Å; W169-S181 PolarHBondContact N-O 2.9Å; W169-S181 PolarHBondContact O-N 3.26Å |
| 182 | E | 89 | Confident | 85.5 | Confident | 141 Ų | 141 | 75.9 Ų | 75.9 | 66% | 0.659 | 42% | 0.416 | S | S | * | . | trans | -106.2 | 49 | -178.2 | -57.6 | -167.5 | 165 | 0 | 0 | 111 | V167 T168 | V167-E182 CarbonylContact O-C 3.59Å; V167-E182 WeakPolarHBondContact O-CA 3.1Å; T168-E182 HydrophobicContact CG2-CG 4.15Å | ||
| 183 | D | 91.1 | Very high | 85.7 | Confident | 104 Ų | 104 | 77.5 Ų | 77.5 | 56% | 0.556 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -133.6 | 155.4 | 179.5 | -69.6 | -63.1 | 0 | 0 | 0 | 110.2 | W169 Y185 | W169-D183 PolarHBondContact NE1-O 2.93Å; D183-Y185 WeakPolarHBondContact CB-O 3.48Å; D183-Y185 PolarHBondContact O-N 2.98Å |
| 184 | E | 93.9 | Very high | 86 | Confident | 73 Ų | 73 | 82.7 Ų | 82.7 | 34% | 0.341 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -61.3 | -27.2 | 171.9 | -64.3 | -173.9 | 151.2 | 0 | 0 | 111.8 | T156 C157 V167 W169 | T156-E184 CarbonylContact C-O 3.1Å; T156-E184 WeakPolarHBondContact CA-O 3.32Å; C157-E184 PolarHBondContact N-O 3.41Å; C157-E184 WeakPolarHBondContact O-CA 3.45Å; C157-E184 WeakPolarHBondContact O-CB 3.41Å; V167-E184 HydrophobicContact CG2-CG 4.37Å; W169-E184 PolarHBondContact NE1-O 2.87Å |
| 185 | Y | 94.8 | Very high | 86.8 | Confident | 117 Ų | 117 | 78.5 Ų | 78.5 | 46% | 0.459 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 127.3 | -178.8 | -58.5 | -88.1 | 0 | 0 | 0 | 110.9 | L155 T156 D183 | L155-Y185 CarbonylContact O-C 3.48Å; L155-Y185 VanDerWaalsContact O-CA 3.28Å; L155-Y185 WeakPolarHBondContact O-CA 3.27Å; T156-Y185 HydrophobicContact CG2-CD1 4.12Å; T156-Y185 HydrophobicContact CG2-CE1 3.66Å; T156-Y185 WeakPolarHBondContact OG1-CD1 3.37Å; T156-Y185 WeakPolarHBondContact OG1-CE1 3.27Å; D183-Y185 WeakPolarHBondContact CB-O 3.48Å; D183-Y185 PolarHBondContact O-N 2.98Å |
| 186 | L | 94.8 | Very high | 87.8 | Confident | 8 Ų | 8 | 70.7 Ų | 70.7 | 4% | 0.042 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 107.4 | 168.3 | 175.3 | 64.8 | 0 | 0 | 0 | 109.7 | S154 L155 W169 F179 I188 Y199 | S154-L186 CarbonylContact C-O 3.59Å; S154-L186 WeakPolarHBondContact CA-O 3.46Å; L155-L186 HydrophobicContact CB-CB 4.31Å; L155-L186 HydrophobicContact CD1-CD2 4.28Å; L155-L186 PolarHBondContact N-O 2.81Å; L155-L186 PolarHBondContact O-N 2.99Å; W169-L186 HydrophobicContact CB-CB 4.31Å; W169-L186 HydrophobicContact CB-CD2 4.12Å; W169-L186 HydrophobicContact CD2-CB 4.09Å; W169-L186 HydrophobicContact CD2-CD2 4.41Å; W169-L186 HydrophobicContact CG-CB 3.83Å; W169-L186 HydrophobicContact CG-CD2 4.28Å; F179-L186 HydrophobicContact CD2-CD1 4.37Å; F179-L186 HydrophobicContact CE2-CD1 3.65Å; F179-L186 HydrophobicContact CE2-CD2 3.75Å; F179-L186 HydrophobicContact CE2-CG 4.35Å; F179-L186 HydrophobicContact CZ-CD2 4Å; L186-I188 HydrophobicContact CD1-CG1 4.4Å; L186-I188 HydrophobicContact CD2-CD1 4.08Å; L186-I188 HydrophobicContact CG-CD1 4.25Å; L186-I188 HydrophobicContact CG-CG1 4.25Å; L186-Y199 HydrophobicContact CD2-CD1 3.57Å; L186-Y199 HydrophobicContact CD2-CE1 3.76Å |
| 187 | E | 94.2 | Very high | 88.9 | Confident | 130 Ų | 130 | 70.1 Ų | 70.1 | 61% | 0.607 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 126.9 | 174.9 | -61.7 | -168.9 | 170.4 | 0 | 0 | 111.4 | I153 | I153-E187 WeakPolarHBondContact O-CA 3.3Å |
| 188 | I | 93.7 | Very high | 90.2 | Very high | 14 Ų | 14 | 67 Ų | 67 | 7% | 0.072 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 118.2 | 174.2 | -62.5 | 168.7 | 0 | 0 | 0 | 108 | N152 I153 F179 L186 I191 Y199 | N152-I188 CarbonylContact C-O 3.58Å; N152-I188 VanDerWaalsContact CA-O 3.28Å; N152-I188 WeakPolarHBondContact CA-O 3.32Å; I153-I188 HydrophobicContact CD1-CB 4.38Å; I153-I188 HydrophobicContact CD1-CD1 4.09Å; I153-I188 HydrophobicContact CG1-CB 3.74Å; I153-I188 HydrophobicContact CG1-CD1 4.37Å; I153-I188 HydrophobicContact CG1-CG1 4.41Å; I153-I188 PolarHBondContact N-O 2.85Å; I153-I188 PolarHBondContact O-N 3.22Å; F179-I188 HydrophobicContact CZ-CD1 4.2Å; L186-I188 HydrophobicContact CD1-CG1 4.4Å; L186-I188 HydrophobicContact CD2-CD1 4.08Å; L186-I188 HydrophobicContact CG-CD1 4.25Å; L186-I188 HydrophobicContact CG-CG1 4.25Å; I188-I191 HydrophobicContact CG2-CB 4.08Å; I188-I191 HydrophobicContact CG2-CG1 4.16Å; I188-Y199 HydrophobicContact CD1-CE1 3.65Å |
| 189 | Q | 95.2 | Very high | 91.8 | Very high | 124 Ų | 124 | 64.1 Ų | 64.1 | 58% | 0.579 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -89.7 | 131.6 | 177 | -57.4 | -67.1 | -39.6 | 0 | 0 | 109.1 | N152 | N152-Q189 PolarHBondContact ND2-OE1 3.47Å; N152-Q189 WeakPolarHBondContact OD1-CA 3.45Å; N152-Q189 PolarHBondContact OD1-OE1 3.28Å |
| 190 | G | 95.9 | Very high | 93 | Very high | 33 Ų | 33 | 62.2 Ų | 62.2 | 34% | 0.34 | 32% | 0.319 | S | S | . | . | S | Bend | trans | 57.8 | 56.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | N152 T192 | N152-G190 PolarHBondContact OD1-N 2.75Å; G190-T192 PolarHBondContact O-N 3Å |
| 191 | I | 95.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | -57 | 133.3 | -173.3 | -165.9 | 168.1 | 0 | 0 | 0 | 112.7 | I147 G150 N151 I153 I188 Q195 V217 V219 | I147-I191 HydrophobicContact CG2-CG2 3.96Å; G150-I191 PolarHBondContact N-O 2.82Å; N151-I191 VanDerWaalsContact O-CG2 3.31Å; N151-I191 WeakPolarHBondContact O-CG2 3.41Å; N151-I191 PolarHBondContact O-N 3.42Å; I153-I191 HydrophobicContact CD1-CD1 3.63Å; I153-I191 HydrophobicContact CG1-CD1 4.16Å; I188-I191 HydrophobicContact CG2-CB 4.08Å; I188-I191 HydrophobicContact CG2-CG1 4.16Å; I191-Q195 HydrophobicContact CD1-CB 4.37Å; I191-Q195 HydrophobicContact CG1-CB 3.91Å; I191-V217 HydrophobicContact CD1-CG1 3.65Å; I191-V219 HydrophobicContact CD1-CG2 3.67Å; I191-V219 HydrophobicContact CG1-CG2 3.86Å; I191-V219 HydrophobicContact CG2-CG1 4.36Å; I191-V219 HydrophobicContact CG2-CG2 4.29Å | ||
| 192 | T | 94.8 | Very high | 94.3 | Very high | 53 Ų | 53 | 57.7 Ų | 57.7 | 33% | 0.325 | 29% | 0.291 | S | S | . | . | trans | -98.9 | 158.9 | 177.8 | 83.9 | 0 | 0 | 0 | 0 | 111.8 | G190 E194 Q195 | G190-T192 PolarHBondContact O-N 3Å; T192-E194 WeakPolarHBondContact CB-OE2 3.39Å; T192-E194 PolarHBondContact O-N 2.92Å; T192-E194 PolarHBondContact OG1-N 2.8Å; T192-E194 PolarHBondContact OG1-OE2 2.8Å; T192-Q195 WeakPolarHBondContact O-CB 3.42Å; T192-Q195 PolarHBondContact O-N 3.04Å | ||
| 193 | R | 93.5 | Very high | 94.8 | Very high | 70 Ų | 70 | 51 Ų | 51 | 26% | 0.264 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -59.8 | -26.6 | 177.3 | 67 | -171.8 | 68.3 | -175 | 0.6 | 114.2 | E149 Q195 S196 Y221 | E149-R193 WeakPolarHBondContact OE1-CB 3.43Å; E149-R193 WeakPolarHBondContact OE1-CG 2.91Å; E149-R193 IonicContact OE1-CZ 3.56Å; E149-R193 PolarHBondContact OE1-N 3.22Å; E149-R193 VanDerWaalsContact OE1-N 3.12Å; E149-R193 IonicContact OE1-NE 3.56Å; E149-R193 PolarHBondContact OE1-NE 3.08Å; E149-R193 IonicContact OE1-NH2 2.71Å; E149-R193 IonicContact OE2-CZ 2.87Å; E149-R193 IonicContact OE2-NE 2.98Å; E149-R193 IonicContact OE2-NH2 2.74Å; E149-R193 PolarHBondContact OE2-NH2 2.82Å; R193-Q195 PolarHBondContact O-N 2.99Å; R193-S196 WeakPolarHBondContact O-CB 3.25Å; R193-S196 PolarHBondContact O-N 3.07Å; R193-Y221 HydrophobicContact CB-CD1 3.63Å; R193-Y221 HydrophobicContact CB-CE1 3.72Å; R193-Y221 HydrophobicContact CB-CG 4.34Å; R193-Y221 VanDerWaalsContact CZ-CD2 3.44Å; R193-Y221 VanDerWaalsContact NH1-CD2 3.3Å |
| 194 | E | 91.8 | Very high | 95.1 | Very high | 131 Ų | 131 | 47.5 Ų | 47.5 | 61% | 0.612 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -69.3 | -23.1 | 176.3 | -62.3 | 70.1 | -149 | 0 | 0 | 112.4 | T192 S196 | T192-E194 WeakPolarHBondContact CB-OE2 3.39Å; T192-E194 PolarHBondContact O-N 2.92Å; T192-E194 PolarHBondContact OG1-N 2.8Å; T192-E194 PolarHBondContact OG1-OE2 2.8Å; E194-S196 VanDerWaalsContact C-N 3.32Å |
| 195 | Q | 92.6 | Very high | 95.2 | Very high | 50 Ų | 50 | 44.6 Ų | 44.6 | 23% | 0.234 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -85 | -5.2 | 176.1 | -61.8 | 175.8 | -59.7 | 0 | 0 | 112.1 | H171 I191 T192 R193 Y199 | H171-Q195 PolarHBondContact CE1-O 2.74Å; H171-Q195 PolarHBondContact NE2-O 2.81Å; I191-Q195 HydrophobicContact CD1-CB 4.37Å; I191-Q195 HydrophobicContact CG1-CB 3.91Å; T192-Q195 WeakPolarHBondContact O-CB 3.42Å; T192-Q195 PolarHBondContact O-N 3.04Å; R193-Q195 PolarHBondContact O-N 2.99Å; Q195-Y199 VanDerWaalsContact O-CE2 3.32Å; Q195-Y199 WeakPolarHBondContact O-CE2 3.26Å; Q195-Y199 PolarHBondContact O-OH 3.45Å |
| 196 | S | 94.6 | Very high | 95.2 | Very high | 38 Ų | 38 | 46.5 Ų | 46.5 | 27% | 0.266 | 25% | 0.249 | S | C | . | . | trans | -62.4 | 141.1 | 172.4 | -165.4 | 0 | 0 | 0 | 0 | 111.3 | H171 R193 E194 V217 T218 V219 | H171-S196 PolarHBondContact NE2-O 2.01Å; R193-S196 WeakPolarHBondContact O-CB 3.25Å; R193-S196 PolarHBondContact O-N 3.07Å; E194-S196 VanDerWaalsContact C-N 3.32Å; S196-V217 WeakPolarHBondContact CA-O 3.4Å; S196-V217 PolarHBondContact OG-O 3.36Å; S196-T218 WeakPolarHBondContact OG-CA 3.16Å; S196-V219 PolarHBondContact OG-N 3.06Å; S196-V219 VanDerWaalsContact OG-N 3.16Å | ||
| 197 | G | 94.6 | Very high | 95.3 | Very high | 14 Ų | 14 | 47 Ų | 47 | 14% | 0.144 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 144.5 | -157.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | S173 Y199 V217 | S173-G197 WeakPolarHBondContact OG-CA 3.31Å; G197-Y199 WeakPolarHBondContact O-CD2 3.4Å; G197-V217 PolarHBondContact N-O 3.44Å; G197-V217 PolarHBondContact O-N 2.89Å |
| 198 | D | 95.1 | Very high | 95.3 | Very high | 68 Ų | 68 | 42.1 Ų | 42.1 | 36% | 0.364 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 134.4 | -177.7 | -60.1 | -63.7 | 0 | 0 | 0 | 111.2 | H171 I172 S173 | H171-D198 PolarHBondContact CD2-O 2.88Å; H171-D198 VanDerWaalsContact CD2-O 3.26Å; I172-D198 HydrophobicContact CD1-CB 3.99Å; I172-D198 HydrophobicContact CG1-CB 3.73Å; I172-D198 VanDerWaalsContact CG1-O 3.28Å; I172-D198 WeakPolarHBondContact CG1-O 3.47Å; I172-D198 PolarHBondContact N-O 2.83Å; S173-D198 PolarHBondContact OG-N 3.45Å |
| 199 | Y | 95.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 132.3 | 177.4 | -71.2 | -116.1 | 0 | 0 | 0 | 108.2 | L155 R170 H171 F179 L186 I188 Q195 G197 R214 V215 V217 | L155-Y199 HydrophobicContact CD1-CD1 3.92Å; L155-Y199 HydrophobicContact CD1-CE1 4.46Å; L155-Y199 HydrophobicContact CD1-CG 4Å; R170-Y199 CarbonylContact O-C 3.52Å; R170-Y199 WeakPolarHBondContact O-CA 3.38Å; H171-Y199 HydrophobicContact CB-CD1 4.49Å; H171-Y199 HydrophobicContact CB-CE1 4.42Å; H171-Y199 AromaticContact CD2-CD2 3.77Å; H171-Y199 AromaticContact CD2-CE2 3.48Å; H171-Y199 VanDerWaalsContact CD2-CE2 3.48Å; H171-Y199 WeakPolarHBondContact CD2-CE2 3.06Å; H171-Y199 AromaticContact CD2-CZ 3.8Å; H171-Y199 AromaticContact NE2-CE2 3.76Å; F179-Y199 HydrophobicContact CE1-CE1 4.29Å; F179-Y199 HydrophobicContact CZ-CD1 4.11Å; F179-Y199 AromaticContact CZ-CE1 3.59Å; F179-Y199 HydrophobicContact CZ-CE1 3.59Å; L186-Y199 HydrophobicContact CD2-CD1 3.57Å; L186-Y199 HydrophobicContact CD2-CE1 3.76Å; I188-Y199 HydrophobicContact CD1-CE1 3.65Å; Q195-Y199 VanDerWaalsContact O-CE2 3.32Å; Q195-Y199 WeakPolarHBondContact O-CE2 3.26Å; Q195-Y199 PolarHBondContact O-OH 3.45Å; G197-Y199 WeakPolarHBondContact O-CD2 3.4Å; Y199-R214 CarbonylContact O-C 3.52Å; Y199-R214 WeakPolarHBondContact O-CA 3.46Å; Y199-V215 PolarHBondContact N-O 2.86Å; Y199-V215 PolarHBondContact O-N 3.15Å; Y199-V217 HydrophobicContact CD2-CB 3.93Å; Y199-V217 HydrophobicContact CD2-CG2 3.48Å; Y199-V217 VanDerWaalsContact CD2-CG2 3.48Å; Y199-V217 HydrophobicContact CE2-CB 3.59Å; Y199-V217 HydrophobicContact CE2-CG1 4.36Å; Y199-V217 HydrophobicContact CE2-CG2 3.52Å; Y199-V217 HydrophobicContact CG-CG2 4.2Å |
| 200 | E | 96.3 | Very high | 95.5 | Very high | 22 Ų | 22 | 42.7 Ų | 42.7 | 10% | 0.103 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 123.9 | -178.8 | -173.8 | 170.9 | 79.3 | 0 | 0 | 109.3 | W169 R170 I172 V212 R213 R214 | W169-E200 CarbonylContact C-O 3.52Å; W169-E200 WeakPolarHBondContact CA-O 3.25Å; R170-E200 IonicContact CZ-OE1 3.38Å; R170-E200 PolarHBondContact N-O 2.91Å; R170-E200 IonicContact NE-OE1 2.91Å; R170-E200 IonicContact NH2-OE1 2.84Å; R170-E200 PolarHBondContact NH2-OE1 2.8Å; R170-E200 PolarHBondContact O-N 2.84Å; I172-E200 HydrophobicContact CD1-CB 4.39Å; I172-E200 HydrophobicContact CG2-CB 3.48Å; I172-E200 VanDerWaalsContact CG2-CB 3.48Å; I172-E200 HydrophobicContact CG2-CG 4.49Å; E200-V212 HydrophobicContact CG-CB 4.27Å; E200-R213 CarbonylContact C-O 3.57Å; E200-R213 WeakPolarHBondContact CA-O 3.35Å; E200-R214 HydrophobicContact CB-CG 4.22Å; E200-R214 HydrophobicContact CG-CG 4.23Å; E200-R214 IonicContact OE2-CZ 3.79Å; E200-R214 IonicContact OE2-NE 3.96Å; E200-R214 PolarHBondContact OE2-NE 2.94Å; E200-R214 IonicContact OE2-NH2 3.66Å; E200-R214 PolarHBondContact OE2-NH2 3.39Å |
| 201 | C | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 132.3 | 163.8 | 172.1 | 0 | 0 | 0 | 0 | 109 | I141 C157 V167 T168 W169 V212 R213 | I141-C201 HydrophobicContact CD1-CB 4.03Å; C157-C201 HydrophobicContact CB-CB 3.58Å; C157-C201 WeakPolarHBondContact CB-SG 3.38Å; C157-C201 WeakPolarHBondContact SG-CB 3.18Å; C157-C201 CovalentContact SG-SG 2.01Å; C157-C201 PolarHBondContact SG-SG 3.22Å; V167-C201 VanDerWaalsContact CG1-SG 3.57Å; T168-C201 CarbonylContact O-C 3.59Å; T168-C201 WeakPolarHBondContact O-CA 3.26Å; W169-C201 HydrophobicContact CD2-CB 4.08Å; W169-C201 HydrophobicContact CE3-CB 3.88Å; W169-C201 HydrophobicContact CH2-CB 3.93Å; W169-C201 HydrophobicContact CZ2-CB 4.13Å; W169-C201 HydrophobicContact CZ3-CB 3.79Å; C201-V212 CarbonylContact O-C 3.52Å; C201-V212 VanDerWaalsContact O-CA 3.27Å; C201-V212 WeakPolarHBondContact O-CA 3.22Å; C201-R213 PolarHBondContact N-O 2.87Å; C201-R213 PolarHBondContact O-N 3.3Å |
| 202 | S | 97.3 | Very high | 95.7 | Very high | 22 Ų | 22 | 47.1 Ų | 47.1 | 15% | 0.154 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 127.5 | 175.1 | 171.4 | 0 | 0 | 0 | 0 | 110.2 | V167 T168 P210 V211 | V167-S202 CarbonylContact C-O 3.58Å; V167-S202 WeakPolarHBondContact CA-O 3.23Å; T168-S202 PolarHBondContact N-O 3.21Å; T168-S202 PolarHBondContact O-N 2.8Å; T168-S202 WeakPolarHBondContact OG1-CB 3.05Å; T168-S202 PolarHBondContact OG1-O 2.73Å; T168-S202 VanDerWaalsContact OG1-O 3.04Å; S202-P210 WeakPolarHBondContact OG-CB 3.36Å; S202-V211 WeakPolarHBondContact CA-O 3.35Å |
| 203 | A | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 128.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | P136 I138 A159 P165 T166 V167 P210 V211 | P136-A203 HydrophobicContact CB-CB 4.46Å; I138-A203 HydrophobicContact CD1-CB 4.46Å; I138-A203 HydrophobicContact CG1-CB 3.98Å; A159-A203 HydrophobicContact CB-CB 3.39Å; P165-A203 HydrophobicContact CB-CB 4.37Å; T166-A203 WeakPolarHBondContact O-CA 3.34Å; V167-A203 HydrophobicContact CG2-CB 4.36Å; A203-P210 VanDerWaalsContact O-CA 3.31Å; A203-P210 WeakPolarHBondContact O-CA 3.23Å; A203-V211 PolarHBondContact N-O 2.78Å; A203-V211 PolarHBondContact O-N 2.74Å |
| 204 | S | 97.1 | Very high | 96 | Very high | 30 Ų | 30 | 53.6 Ų | 53.6 | 21% | 0.21 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 143.8 | -178.6 | -171 | 0 | 0 | 0 | 0 | 112.1 | P165 T166 | P165-S204 CarbonylContact C-O 3.53Å; P165-S204 VanDerWaalsContact CA-O 3.26Å; P165-S204 WeakPolarHBondContact CA-O 3.4Å; T166-S204 PolarHBondContact N-O 3.4Å; T166-S204 PolarHBondContact O-N 2.79Å |
| 205 | N | 96.7 | Very high | 96.2 | Very high | 13 Ų | 13 | 47.3 Ų | 47.3 | 7% | 0.07 | 27% | 0.266 | C | S | . | . | trans | -138.5 | 22.1 | 170 | 70.5 | -8.2 | 0 | 0 | 0 | 112.6 | V134 P136 R162 P163 P165 V207 | V134-N205 PolarHBondContact O-ND2 3.16Å; P136-N205 VanDerWaalsContact CD-OD1 3.24Å; P136-N205 WeakPolarHBondContact CD-OD1 3.23Å; R162-N205 PolarHBondContact N-ND2 2.82Å; P163-N205 VanDerWaalsContact O-CB 3.25Å; P163-N205 WeakPolarHBondContact O-CB 3.24Å; P163-N205 PolarHBondContact O-ND2 2.83Å; P165-N205 HydrophobicContact CB-CB 4.28Å; P165-N205 HydrophobicContact CG-CB 4.38Å; N205-V207 PolarHBondContact O-N 2.99Å; N205-V207 VanDerWaalsContact OD1-CB 3.23Å; N205-V207 WeakPolarHBondContact OD1-CB 3.37Å; N205-V207 WeakPolarHBondContact OD1-CG2 3.37Å; N205-V207 PolarHBondContact OD1-N 3.22Å | ||
| 206 | D | 95.6 | Very high | 96.4 | Very high | 156 Ų | 156 | 49.7 Ų | 49.7 | 83% | 0.834 | 28% | 0.275 | S | S | * | . | S | Bend | trans | 59.4 | 0.2 | -178.7 | -55.2 | -36.4 | 0 | 0 | 0 | 116.2 | ||
| 207 | V | 95.6 | Very high | 96.5 | Very high | 19 Ų | 19 | 47.9 Ų | 47.9 | 12% | 0.115 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -74.8 | -34.4 | 173.8 | 179.8 | 0 | 0 | 0 | 0 | 110.4 | R48 Q133 N205 | R48-V207 HydrophobicContact CG-CG1 4.2Å; R48-V207 PolarHBondContact NH2-O 2.67Å; Q133-V207 HydrophobicContact CB-CB 4.45Å; Q133-V207 HydrophobicContact CB-CG1 3.83Å; Q133-V207 HydrophobicContact CB-CG2 3.7Å; Q133-V207 HydrophobicContact CG-CG2 4.04Å; N205-V207 PolarHBondContact O-N 2.99Å; N205-V207 VanDerWaalsContact OD1-CB 3.23Å; N205-V207 WeakPolarHBondContact OD1-CB 3.37Å; N205-V207 WeakPolarHBondContact OD1-CG2 3.37Å; N205-V207 PolarHBondContact OD1-N 3.22Å |
| 208 | A | 94.7 | Very high | 96.6 | Very high | 28 Ų | 28 | 49 Ų | 49 | 23% | 0.231 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -143.1 | 173.9 | -175 | 0 | 0 | 0 | 0 | 0 | 111.3 | R48 | R48-A208 VanDerWaalsContact NH2-CA 3.25Š|
| 209 | A | 96.3 | Very high | 96.8 | Very high | 82 Ų | 82 | 45.8 Ų | 45.8 | 68% | 0.678 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -56.8 | 143 | 164 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 210 | P | 96.8 | Very high | 96.9 | Very high | 68 Ų | 68 | 46.1 Ų | 46.1 | 44% | 0.442 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 142 | 179.3 | -24.4 | 33.3 | 0 | 0 | 0 | 112.2 | S202 A203 | S202-P210 WeakPolarHBondContact OG-CB 3.36Å; A203-P210 VanDerWaalsContact O-CA 3.31Å; A203-P210 WeakPolarHBondContact O-CA 3.23Å |
| 211 | V | 97.9 | Very high | 97 | Very high | 50 Ų | 50 | 46.1 Ų | 46.1 | 30% | 0.303 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 130.7 | 172.5 | 177.6 | 0 | 0 | 0 | 0 | 108.5 | P136 I138 S202 A203 | P136-V211 HydrophobicContact CG-CG2 4.39Å; P136-V211 VanDerWaalsContact O-CG2 3.25Å; P136-V211 WeakPolarHBondContact O-CG2 3.33Å; I138-V211 HydrophobicContact CD1-CG1 4.13Å; I138-V211 WeakPolarHBondContact CD1-O 3.46Å; I138-V211 HydrophobicContact CG1-CG1 4.15Å; S202-V211 WeakPolarHBondContact CA-O 3.35Å; A203-V211 PolarHBondContact N-O 2.78Å; A203-V211 PolarHBondContact O-N 2.74Å |
| 212 | V | 97.5 | Very high | 97 | Very high | 76 Ų | 76 | 48.7 Ų | 48.7 | 46% | 0.461 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 142.5 | -176.5 | -59.8 | 0 | 0 | 0 | 0 | 111.8 | E200 C201 | E200-V212 HydrophobicContact CG-CB 4.27Å; C201-V212 CarbonylContact O-C 3.52Å; C201-V212 VanDerWaalsContact O-CA 3.27Å; C201-V212 WeakPolarHBondContact O-CA 3.22Å |
| 213 | R | 97.8 | Very high | 97 | Very high | 104 Ų | 104 | 48.1 Ų | 48.1 | 39% | 0.392 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 157.4 | 168.5 | -74.4 | -167.7 | -175.7 | 157 | 8.4 | 110.2 | I138 I141 E200 C201 | I138-R213 HydrophobicContact CD1-CB 4.04Å; I138-R213 HydrophobicContact CD1-CG 4Å; I138-R213 VanDerWaalsContact O-CZ 3.26Å; I138-R213 PolarHBondContact O-NH1 3.16Å; I138-R213 VanDerWaalsContact O-NH1 3.16Å; I138-R213 PolarHBondContact O-NH2 2.92Å; I141-R213 HydrophobicContact CD1-CB 3.45Å; I141-R213 VanDerWaalsContact CD1-CB 3.45Å; E200-R213 CarbonylContact C-O 3.57Å; E200-R213 WeakPolarHBondContact CA-O 3.35Å; C201-R213 PolarHBondContact N-O 2.87Å; C201-R213 PolarHBondContact O-N 3.3Å |
| 214 | R | 96.3 | Very high | 96.9 | Very high | 154 Ų | 154 | 54.9 Ų | 54.9 | 58% | 0.581 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 147.9 | -173.8 | -65.2 | 177 | -178 | -179.4 | 1.3 | 111.8 | I172 Y199 E200 | I172-R214 HydrophobicContact CD1-CG 4.37Å; I172-R214 VanDerWaalsContact CD1-CZ 3.47Å; Y199-R214 CarbonylContact O-C 3.52Å; Y199-R214 WeakPolarHBondContact O-CA 3.46Å; E200-R214 HydrophobicContact CB-CG 4.22Å; E200-R214 HydrophobicContact CG-CG 4.23Å; E200-R214 IonicContact OE2-CZ 3.79Å; E200-R214 IonicContact OE2-NE 3.96Å; E200-R214 PolarHBondContact OE2-NE 2.94Å; E200-R214 IonicContact OE2-NH2 3.66Å; E200-R214 PolarHBondContact OE2-NH2 3.39Å |
| 215 | V | 96.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 129 | 176.1 | -174.2 | 0 | 0 | 0 | 0 | 108.2 | I141 S142 S143 L155 W169 Y199 | I141-V215 HydrophobicContact CD1-CG2 3.65Å; I141-V215 HydrophobicContact CG1-CG2 3.67Å; S142-V215 WeakPolarHBondContact O-CG2 3.33Å; S143-V215 WeakPolarHBondContact O-CG1 3.44Å; L155-V215 HydrophobicContact CD2-CG1 4.28Å; W169-V215 HydrophobicContact CH2-CG2 4.04Å; W169-V215 HydrophobicContact CZ3-CG2 4.16Å; Y199-V215 PolarHBondContact N-O 2.86Å; Y199-V215 PolarHBondContact O-N 3.15Å |
| 216 | K | 96.8 | Very high | 96.9 | Very high | 100 Ų | 100 | 57.2 Ų | 57.2 | 44% | 0.435 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 124.2 | 175.1 | -171.9 | 179 | -179.8 | -175.4 | 0 | 110.7 | D144 I145 | D144-K216 WeakPolarHBondContact CA-O 3.25Å; D144-K216 HydrophobicContact CB-CB 4.21Å; D144-K216 WeakPolarHBondContact OD1-CB 3.39Å; D144-K216 PolarHBondContact OD1-N 3.46Å; I145-K216 PolarHBondContact N-O 2.79Å |
| 217 | V | 96.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 114.2 | 174.4 | -178.9 | 0 | 0 | 0 | 0 | 109.4 | I145 I153 L155 I191 S196 G197 Y199 V219 | I145-V217 HydrophobicContact CG2-CB 4.22Å; I145-V217 HydrophobicContact CG2-CG1 4.11Å; I145-V217 HydrophobicContact CG2-CG2 3.86Å; I153-V217 HydrophobicContact CD1-CG1 4.08Å; I153-V217 HydrophobicContact CD1-CG2 4.3Å; L155-V217 HydrophobicContact CD1-CG2 3.96Å; L155-V217 HydrophobicContact CD2-CG2 4.35Å; I191-V217 HydrophobicContact CD1-CG1 3.65Å; S196-V217 WeakPolarHBondContact CA-O 3.4Å; S196-V217 PolarHBondContact OG-O 3.36Å; G197-V217 PolarHBondContact N-O 3.44Å; G197-V217 PolarHBondContact O-N 2.89Å; Y199-V217 HydrophobicContact CD2-CB 3.93Å; Y199-V217 HydrophobicContact CD2-CG2 3.48Å; Y199-V217 VanDerWaalsContact CD2-CG2 3.48Å; Y199-V217 HydrophobicContact CE2-CB 3.59Å; Y199-V217 HydrophobicContact CE2-CG1 4.36Å; Y199-V217 HydrophobicContact CE2-CG2 3.52Å; Y199-V217 HydrophobicContact CG-CG2 4.2Å; V217-V219 HydrophobicContact CG1-CG2 4.31Å |
| 218 | T | 97.3 | Very high | 97 | Very high | 38 Ų | 38 | 55 Ų | 55 | 23% | 0.233 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 112.9 | 176.6 | -56.5 | 0 | 0 | 0 | 0 | 109.8 | I145 S146 I147 S196 V248 | I145-T218 PolarHBondContact O-N 3.09Å; S146-T218 VanDerWaalsContact CA-O 3.3Å; S146-T218 WeakPolarHBondContact CA-O 3.31Å; I147-T218 PolarHBondContact N-O 3.34Å; S196-T218 WeakPolarHBondContact OG-CA 3.16Å; T218-V248 HydrophobicContact CG2-CG1 3.72Å |
| 219 | V | 97.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 118.2 | 177.7 | -174.9 | 0 | 0 | 0 | 0 | 109.5 | I147 E149 I191 S196 V217 Y221 V248 | I147-V219 CarbonylContact O-C 3.51Å; I147-V219 WeakPolarHBondContact O-CA 3.21Å; E149-V219 HydrophobicContact CB-CG1 3.87Å; E149-V219 HydrophobicContact CG-CG1 4.47Å; I191-V219 HydrophobicContact CD1-CG2 3.67Å; I191-V219 HydrophobicContact CG1-CG2 3.86Å; I191-V219 HydrophobicContact CG2-CG1 4.36Å; I191-V219 HydrophobicContact CG2-CG2 4.29Å; S196-V219 PolarHBondContact OG-N 3.06Å; S196-V219 VanDerWaalsContact OG-N 3.16Å; V217-V219 HydrophobicContact CG1-CG2 4.31Å; V219-Y221 WeakPolarHBondContact O-CD1 3.17Å; V219-V248 WeakPolarHBondContact O-CB 3.36Å; V219-V248 WeakPolarHBondContact O-CG1 3.47Å |
| 220 | N | 98.3 | Very high | 97.2 | Very high | 7 Ų | 7 | 56.5 Ų | 56.5 | 4% | 0.037 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 135.1 | 178.4 | -53.4 | -51.1 | 0 | 0 | 0 | 110.3 | S146 I147 N148 E149 V248 L301 | S146-N220 PolarHBondContact OG-ND2 3.37Å; S146-N220 PolarHBondContact OG-OD1 3.03Å; I147-N220 PolarHBondContact O-N 2.9Å; I147-N220 PolarHBondContact O-ND2 2.99Å; N148-N220 WeakPolarHBondContact CA-O 3.46Å; N148-N220 WeakPolarHBondContact OD1-CB 3.41Å; N148-N220 PolarHBondContact OD1-ND2 2.67Å; E149-N220 PolarHBondContact N-O 2.9Å; N220-V248 CarbonylContact C-O 3.51Å; N220-V248 WeakPolarHBondContact CA-O 3.19Å; N220-V248 WeakPolarHBondContact CB-O 3.29Å; N220-L301 HydrophobicContact CB-CD1 3.65Å |
| 221 | Y | 97.9 | Very high | 97.2 | Very high | 22 Ų | 22 | 55.4 Ų | 55.4 | 9% | 0.086 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 152.1 | 178.4 | 57.4 | -89.5 | 0 | 0 | 0 | 111.1 | R193 V219 S246 V248 N299 | R193-Y221 HydrophobicContact CB-CD1 3.63Å; R193-Y221 HydrophobicContact CB-CE1 3.72Å; R193-Y221 HydrophobicContact CB-CG 4.34Å; R193-Y221 VanDerWaalsContact CZ-CD2 3.44Å; R193-Y221 VanDerWaalsContact NH1-CD2 3.3Å; V219-Y221 WeakPolarHBondContact O-CD1 3.17Å; Y221-S246 PolarHBondContact OH-OG 2.72Å; Y221-V248 HydrophobicContact CD1-CB 4.08Å; Y221-V248 HydrophobicContact CD1-CG2 4.27Å; Y221-V248 HydrophobicContact CE1-CB 3.8Å; Y221-V248 HydrophobicContact CE1-CG2 3.48Å; Y221-V248 VanDerWaalsContact CE1-CG2 3.48Å; Y221-V248 PolarHBondContact N-O 3.21Å; Y221-V248 PolarHBondContact O-N 3.44Å; Y221-V248 VanDerWaalsContact O-O 3.05Å; Y221-N299 PolarHBondContact O-ND2 3.39Å |
| 222 | P | 97.8 | Very high | 97.2 | Very high | 54 Ų | 54 | 54.2 Ų | 54.2 | 35% | 0.351 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 159.5 | 178.5 | 29.6 | -36.2 | 0 | 0 | 0 | 111.4 | Y224 L301 | P222-Y224 PolarHBondContact O-N 3.36Å; P222-L301 HydrophobicContact CB-CB 4.08Å |
| 223 | P | 97.6 | Very high | 97.1 | Very high | 9 Ų | 9 | 50.8 Ų | 50.8 | 6% | 0.058 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 139 | -176.1 | -20.2 | 34.7 | 0 | 0 | 0 | 112.4 | S246 A247 A251 A297 N299 G302 T304 | P223-S246 WeakPolarHBondContact CA-O 3.24Å; P223-A247 HydrophobicContact CB-CB 3.9Å; P223-A247 HydrophobicContact CG-CB 3.91Å; P223-A251 HydrophobicContact CB-CB 4.1Å; P223-A251 HydrophobicContact CG-CB 4.01Å; P223-A297 HydrophobicContact CB-CB 3.98Å; P223-N299 WeakPolarHBondContact CD-OD1 3.49Å; P223-N299 HydrophobicContact CG-CB 4.08Å; P223-G302 WeakPolarHBondContact CD-O 3.44Å; P223-T304 HydrophobicContact CB-CG2 4.13Å; P223-T304 WeakPolarHBondContact O-CB 3.36Å; P223-T304 WeakPolarHBondContact O-CG2 3.3Å |
| 224 | Y | 96.2 | Very high | 97 | Very high | 142 Ų | 142 | 46.8 Ų | 46.8 | 56% | 0.557 | 25% | 0.246 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 124.7 | 171.4 | 167.1 | -95.7 | 0 | 0 | 0 | 108.9 | P222 S226 A245 S246 | P222-Y224 PolarHBondContact O-N 3.36Å; Y224-S226 PolarHBondContact O-N 2.87Å; Y224-A245 CarbonylContact O-C 3.56Å; Y224-A245 WeakPolarHBondContact O-CA 3.28Å; Y224-A245 WeakPolarHBondContact O-CB 3.47Å; Y224-S246 PolarHBondContact N-O 2.72Å; Y224-S246 PolarHBondContact O-N 3.28Å |
| 225 | I | 97.3 | Very high | 96.9 | Very high | 23 Ų | 23 | 42.9 Ų | 42.9 | 12% | 0.118 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 113 | 178 | -73.4 | 163.5 | 0 | 0 | 0 | 108.7 | A228 E244 A245 T304 A306 | I225-A228 HydrophobicContact CG2-CB 4.07Å; I225-E244 CarbonylContact C-O 3.3Å; I225-E244 VanDerWaalsContact CA-O 3.28Å; I225-E244 WeakPolarHBondContact CA-O 3.32Å; I225-A245 HydrophobicContact CG1-CB 4.13Å; I225-T304 HydrophobicContact CB-CG2 4.47Å; I225-T304 HydrophobicContact CD1-CG2 3.82Å; I225-T304 HydrophobicContact CG1-CG2 3.69Å; I225-A306 HydrophobicContact CD1-CB 3.63Å; I225-A306 HydrophobicContact CG2-CB 4.09Å |
| 226 | S | 95.9 | Very high | 96.8 | Very high | 69 Ų | 69 | 45 Ų | 45 | 48% | 0.483 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | -32 | 178.4 | 50.8 | 0 | 0 | 0 | 0 | 112.2 | Y224 E244 | Y224-S226 PolarHBondContact O-N 2.87Å; S226-E244 PolarHBondContact N-O 2.67Å; S226-E244 WeakPolarHBondContact OG-CB 3.39Å; S226-E244 PolarHBondContact OG-O 2.8Å |
| 227 | E | 97.1 | Very high | 96.7 | Very high | 84 Ų | 84 | 45.2 Ų | 45.2 | 39% | 0.393 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 139.4 | 178.2 | -167 | 178.1 | 171.4 | 0 | 0 | 111.3 | E244 | E227-E244 HydrophobicContact CB-CB 4.14Å; E227-E244 HydrophobicContact CB-CG 4.49Å; E227-E244 PolarHBondContact N-O 2.82Å; E227-E244 PolarHBondContact O-N 2.91Å |
| 228 | A | 97.4 | Very high | 96.6 | Very high | 44 Ų | 44 | 51.6 Ų | 51.6 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 104.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | I225 A306 I308 | I225-A228 HydrophobicContact CG2-CB 4.07Å; A228-A306 HydrophobicContact CB-CB 3.72Å; A228-I308 HydrophobicContact CB-CD1 3.91Å; A228-I308 HydrophobicContact CB-CG1 3.78Å |
| 229 | K | 97.7 | Very high | 96.5 | Very high | 114 Ų | 114 | 49.9 Ų | 49.9 | 50% | 0.496 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 114.9 | -166.7 | -172.9 | 172.1 | -178 | 172.6 | 0 | 112.4 | Q242 I308 | K229-Q242 HydrophobicContact CB-CB 4.26Å; K229-Q242 PolarHBondContact N-O 2.87Å; K229-Q242 PolarHBondContact O-N 2.96Å; K229-Q242 VanDerWaalsContact O-N 3.12Å; K229-I308 VanDerWaalsContact C-CG2 3.49Å; K229-I308 WeakPolarHBondContact O-CG2 3.42Å |
| 230 | G | 96.9 | Very high | 96.5 | Very high | 28 Ų | 28 | 51.9 Ų | 51.9 | 29% | 0.289 | 29% | 0.294 | S | S | . | . | trans | -76.1 | 169.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I308 M309 | G230-I308 VanDerWaalsContact CA-CG2 3.48Å; G230-M309 WeakPolarHBondContact CA-O 3.3Å | ||
| 231 | T | 97 | Very high | 96.5 | Very high | 45 Ų | 45 | 51.6 Ų | 51.6 | 28% | 0.276 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 140 | 175.1 | -63.3 | 0 | 0 | 0 | 0 | 111.4 | V233 T240 M309 F311 | T231-V233 HydrophobicContact CG2-CG2 3.55Å; T231-T240 PolarHBondContact OG1-O 3.16Å; T231-M309 PolarHBondContact N-O 2.73Å; T231-M309 VanDerWaalsContact N-O 3.16Å; T231-F311 PolarHBondContact O-N 3Å |
| 232 | G | 96.6 | Very high | 96.5 | Very high | 25 Ų | 25 | 52.5 Ų | 52.5 | 26% | 0.258 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 125 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | F311 V313 | G232-F311 CarbonylContact C-O 3.58Å; G232-F311 VanDerWaalsContact CA-O 3.25Å; G232-F311 WeakPolarHBondContact CA-O 3.18Å; G232-V313 VanDerWaalsContact C-CG2 3.46Å; G232-V313 VanDerWaalsContact CA-CG2 3.47Å |
| 233 | V | 95.9 | Very high | 96.5 | Very high | 5 Ų | 5 | 49.9 Ų | 49.9 | 3% | 0.03 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 131.5 | -172.7 | -169.7 | 0 | 0 | 0 | 0 | 110 | T231 Q237 V285 Y290 L310 F311 V313 | T231-V233 HydrophobicContact CG2-CG2 3.55Å; V233-Q237 HydrophobicContact CG1-CB 3.79Å; V233-V285 HydrophobicContact CB-CG2 4.33Å; V233-V285 HydrophobicContact CG1-CB 4.4Å; V233-V285 HydrophobicContact CG1-CG2 4.01Å; V233-Y290 WeakPolarHBondContact O-CE1 3.28Å; V233-Y290 PolarHBondContact O-OH 3.25Å; V233-L310 HydrophobicContact CG2-CD1 4Å; V233-F311 PolarHBondContact N-O 2.72Å; V233-V313 PolarHBondContact O-N 2.77Å |
| 234 | P | 95.8 | Very high | 96.5 | Very high | 20 Ų | 20 | 52.1 Ų | 52.1 | 13% | 0.13 | 29% | 0.29 | C | S | . | . | trans | -65.6 | 152.6 | 170.1 | -17.2 | 30 | 0 | 0 | 0 | 112.2 | Q237 V313 | P234-Q237 HydrophobicContact CB-CG 4.35Å; P234-Q237 PolarHBondContact O-N 3.02Å; P234-V313 WeakPolarHBondContact CA-O 3.48Å; P234-V313 WeakPolarHBondContact CB-O 3.35Å; P234-V313 WeakPolarHBondContact CG-O 3.47Å | ||
| 235 | V | 95.1 | Very high | 96.5 | Very high | 71 Ų | 71 | 45.4 Ų | 45.4 | 43% | 0.43 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 140.8 | 171.7 | 178.2 | 0 | 0 | 0 | 0 | 110 | Q237 V285 E287 Y290 | V235-Q237 VanDerWaalsContact C-N 3.34Å; V235-V285 WeakPolarHBondContact CA-O 3.46Å; V235-E287 HydrophobicContact CG2-CG 4.06Å; V235-Y290 HydrophobicContact CG2-CE2 4.04Å; V235-Y290 PolarHBondContact N-OH 2.85Å |
| 236 | G | 93.4 | Very high | 96.5 | Very high | 46 Ų | 46 | 46.3 Ų | 46.3 | 47% | 0.474 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.2 | -16.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | N284 V285 | G236-N284 VanDerWaalsContact C-OD1 3.24Å; G236-N284 WeakPolarHBondContact CA-OD1 3.07Å; G236-N284 PolarHBondContact O-OD1 2.73Å; G236-V285 PolarHBondContact N-O 3.07Å |
| 237 | Q | 95.1 | Very high | 96.5 | Very high | 103 Ų | 103 | 43 Ų | 43 | 48% | 0.481 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -101.8 | 165.9 | -171.6 | -61.4 | -163.7 | 16.6 | 0 | 0 | 113.4 | V233 P234 V235 V285 | V233-Q237 HydrophobicContact CG1-CB 3.79Å; P234-Q237 HydrophobicContact CB-CG 4.35Å; P234-Q237 PolarHBondContact O-N 3.02Å; V235-Q237 VanDerWaalsContact C-N 3.34Å; Q237-V285 WeakPolarHBondContact O-CG2 3.4Å; Q237-V285 PolarHBondContact O-N 2.88Å |
| 238 | K | 95.4 | Very high | 96.5 | Very high | 135 Ų | 135 | 40.8 Ų | 40.8 | 59% | 0.587 | 24% | 0.241 | S | C | * | . | trans | -76.7 | 128.6 | 176.1 | -174.4 | -174.4 | 178.2 | 179.5 | 0 | 110.4 | I281 F282 | K238-I281 VanDerWaalsContact CE-CG2 3.45Å; K238-I281 HydrophobicContact CG-CG2 4.43Å; K238-F282 VanDerWaalsContact CA-O 3.3Å; K238-F282 WeakPolarHBondContact CA-O 2.91Å; K238-F282 VanDerWaalsContact CG-O 3.22Å; K238-F282 WeakPolarHBondContact CG-O 3.17Å | ||
| 239 | G | 95.2 | Very high | 96.5 | Very high | 2 Ų | 2 | 41 Ų | 41 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 154.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I281 F282 | G239-I281 WeakPolarHBondContact O-CA 3.36Å; G239-F282 PolarHBondContact N-O 2.04Å; G239-F282 PolarHBondContact O-N 2.81Å |
| 240 | T | 96.9 | Very high | 96.4 | Very high | 42 Ų | 42 | 38.6 Ų | 38.6 | 26% | 0.258 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 122.3 | 174.4 | -60.4 | 0 | 0 | 0 | 0 | 110.7 | T231 K279 L280 I281 | T231-T240 PolarHBondContact OG1-O 3.16Å; T240-K279 HydrophobicContact CG2-CB 4.09Å; T240-K279 HydrophobicContact CG2-CD 4.22Å; T240-K279 HydrophobicContact CG2-CG 4.25Å; T240-L280 CarbonylContact C-O 3.55Å; T240-L280 WeakPolarHBondContact CA-O 2.99Å; T240-I281 HydrophobicContact CG2-CG1 4Å |
| 241 | L | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 146.2 | 167.8 | -53.2 | -177.1 | 0 | 0 | 0 | 109.1 | W255 K279 L280 F282 Y293 I308 L310 | L241-W255 HydrophobicContact CB-CH2 3.8Å; L241-W255 HydrophobicContact CB-CZ3 4.03Å; L241-W255 HydrophobicContact CD1-CZ3 4.29Å; L241-K279 CarbonylContact O-C 3.5Å; L241-K279 VanDerWaalsContact O-CA 3.28Å; L241-K279 WeakPolarHBondContact O-CA 3.33Å; L241-L280 HydrophobicContact CB-CB 4.34Å; L241-L280 HydrophobicContact CD1-CD2 4.32Å; L241-L280 PolarHBondContact N-O 2.83Å; L241-L280 PolarHBondContact O-N 2.82Å; L241-F282 HydrophobicContact CD1-CE2 4.22Å; L241-F282 HydrophobicContact CG-CE2 4.12Å; L241-Y293 HydrophobicContact CD1-CD1 4.46Å; L241-Y293 HydrophobicContact CD1-CD2 3.52Å; L241-Y293 HydrophobicContact CD1-CE2 4.26Å; L241-Y293 HydrophobicContact CD1-CG 3.64Å; L241-I308 HydrophobicContact CB-CG2 4.05Å; L241-I308 HydrophobicContact CD1-CG2 4.1Å; L241-I308 HydrophobicContact CD2-CG2 3.98Å; L241-I308 HydrophobicContact CG-CG2 4.26Å; L241-L310 HydrophobicContact CD1-CB 4.39Å; L241-L310 HydrophobicContact CD2-CB 4.17Å; L241-L310 HydrophobicContact CD2-CD1 3.96Å |
| 242 | Q | 97.9 | Very high | 96.2 | Very high | 41 Ų | 41 | 42 Ų | 42 | 19% | 0.192 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 138.1 | -175.6 | 164 | 161.1 | -16 | 0 | 0 | 110.9 | K229 E244 L277 | K229-Q242 HydrophobicContact CB-CB 4.26Å; K229-Q242 PolarHBondContact N-O 2.87Å; K229-Q242 PolarHBondContact O-N 2.96Å; K229-Q242 VanDerWaalsContact O-N 3.12Å; Q242-E244 HydrophobicContact CG-CG 4.43Å; Q242-E244 PolarHBondContact NE2-OE1 3Å; Q242-L277 HydrophobicContact CG-CD1 3.48Å; Q242-L277 VanDerWaalsContact CG-CD1 3.48Å |
| 243 | C | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 119.8 | 179.9 | -178.1 | 0 | 0 | 0 | 0 | 109.1 | W255 L277 S278 C295 I308 | C243-W255 HydrophobicContact CB-CH2 3.84Å; C243-W255 HydrophobicContact CB-CZ2 3.67Å; C243-L277 CarbonylContact O-C 3.59Å; C243-L277 WeakPolarHBondContact O-CA 3.27Å; C243-S278 PolarHBondContact N-O 2.78Å; C243-S278 PolarHBondContact O-N 3.5Å; C243-C295 HydrophobicContact CB-CB 3.6Å; C243-C295 WeakPolarHBondContact CB-SG 3.49Å; C243-C295 WeakPolarHBondContact SG-CB 3.49Å; C243-C295 CovalentContact SG-SG 2.04Å; C243-C295 PolarHBondContact SG-SG 3.46Å; C243-I308 HydrophobicContact CB-CD1 3.98Å |
| 244 | E | 97.9 | Very high | 96.2 | Very high | 56 Ų | 56 | 43 Ų | 43 | 26% | 0.262 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 135.3 | 178.7 | -65.7 | -171.5 | -173.7 | 0 | 0 | 110.3 | I225 S226 E227 Q242 F276 L277 | I225-E244 CarbonylContact C-O 3.3Å; I225-E244 VanDerWaalsContact CA-O 3.28Å; I225-E244 WeakPolarHBondContact CA-O 3.32Å; S226-E244 PolarHBondContact N-O 2.67Å; S226-E244 WeakPolarHBondContact OG-CB 3.39Å; S226-E244 PolarHBondContact OG-O 2.8Å; E227-E244 HydrophobicContact CB-CB 4.14Å; E227-E244 HydrophobicContact CB-CG 4.49Å; E227-E244 PolarHBondContact N-O 2.82Å; E227-E244 PolarHBondContact O-N 2.91Å; Q242-E244 HydrophobicContact CG-CG 4.43Å; Q242-E244 PolarHBondContact NE2-OE1 3Å; E244-F276 VanDerWaalsContact CA-O 3.24Å; E244-F276 WeakPolarHBondContact CA-O 3.43Å; E244-L277 HydrophobicContact CG-CB 4.32Å; E244-L277 HydrophobicContact CG-CD1 3.62Å |
| 245 | A | 97.3 | Very high | 96.3 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.008 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 137.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y224 I225 F253 F276 A297 | Y224-A245 CarbonylContact O-C 3.56Å; Y224-A245 WeakPolarHBondContact O-CA 3.28Å; Y224-A245 WeakPolarHBondContact O-CB 3.47Å; I225-A245 HydrophobicContact CG1-CB 4.13Å; A245-F253 HydrophobicContact CB-CE1 3.78Å; A245-F253 HydrophobicContact CB-CZ 3.65Å; A245-F276 PolarHBondContact N-O 3.04Å; A245-F276 WeakPolarHBondContact O-CA 3.48Å; A245-A297 HydrophobicContact CB-CB 3.77Å |
| 246 | S | 96.1 | Very high | 96.3 | Very high | 42 Ų | 42 | 41.5 Ų | 41.5 | 29% | 0.294 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 130.5 | 169.7 | -160.9 | 0 | 0 | 0 | 0 | 109.2 | Y221 P223 Y224 | Y221-S246 PolarHBondContact OH-OG 2.72Å; P223-S246 WeakPolarHBondContact CA-O 3.24Å; Y224-S246 PolarHBondContact N-O 2.72Å; Y224-S246 PolarHBondContact O-N 3.28Å |
| 247 | A | 96.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 147.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | P223 P249 A251 | P223-A247 HydrophobicContact CB-CB 3.9Å; P223-A247 HydrophobicContact CG-CB 3.91Å; A247-P249 CarbonylContact C-O 3.58Å; A247-P249 VanDerWaalsContact C-O 3.3Å; A247-P249 WeakPolarHBondContact CB-O 3.45Å; A247-A251 HydrophobicContact CB-CB 3.88Å |
| 248 | V | 97.1 | Very high | 96 | Very high | 36 Ų | 36 | 41.7 Ų | 41.7 | 22% | 0.218 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 118.7 | 168 | 179.8 | 0 | 0 | 0 | 0 | 108.8 | T218 V219 N220 Y221 | T218-V248 HydrophobicContact CG2-CG1 3.72Å; V219-V248 WeakPolarHBondContact O-CB 3.36Å; V219-V248 WeakPolarHBondContact O-CG1 3.47Å; N220-V248 CarbonylContact C-O 3.51Å; N220-V248 WeakPolarHBondContact CA-O 3.19Å; N220-V248 WeakPolarHBondContact CB-O 3.29Å; Y221-V248 HydrophobicContact CD1-CB 4.08Å; Y221-V248 HydrophobicContact CD1-CG2 4.27Å; Y221-V248 HydrophobicContact CE1-CB 3.8Å; Y221-V248 HydrophobicContact CE1-CG2 3.48Å; Y221-V248 VanDerWaalsContact CE1-CG2 3.48Å; Y221-V248 PolarHBondContact N-O 3.21Å; Y221-V248 PolarHBondContact O-N 3.44Å; Y221-V248 VanDerWaalsContact O-O 3.05Å |
| 249 | P | 96.9 | Very high | 95.7 | Very high | 50 Ų | 50 | 42.7 Ų | 42.7 | 33% | 0.325 | 23% | 0.229 | S | C | . | . | S | Bend | cis | -58.7 | 163.3 | -7.7 | -22 | 34.3 | 0 | 0 | 0 | 113.1 | A247 N299 K300 | A247-P249 CarbonylContact C-O 3.58Å; A247-P249 VanDerWaalsContact C-O 3.3Å; A247-P249 WeakPolarHBondContact CB-O 3.45Å; P249-N299 PolarHBondContact O-ND2 2.53Å; P249-K300 HydrophobicContact CG-CD 4.16Å; P249-K300 HydrophobicContact CG-CG 4.44Å |
| 250 | S | 95.1 | Very high | 95.5 | Very high | 62 Ų | 62 | 50 Ų | 50 | 43% | 0.434 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -51.7 | 144.9 | -179.4 | -58.1 | 0 | 0 | 0 | 0 | 112.5 | ||
| 251 | A | 95.4 | Very high | 95.3 | Very high | 9 Ų | 9 | 54.9 Ų | 54.9 | 7% | 0.074 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -81.3 | 144.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112 | P223 A247 F253 A297 S298 | P223-A251 HydrophobicContact CB-CB 4.1Å; P223-A251 HydrophobicContact CG-CB 4.01Å; A247-A251 HydrophobicContact CB-CB 3.88Å; A251-F253 HydrophobicContact CB-CE2 4.2Å; A251-F253 HydrophobicContact CB-CZ 4.44Å; A251-A297 HydrophobicContact CB-CB 4.14Å; A251-S298 CarbonylContact C-O 3.48Å; A251-S298 WeakPolarHBondContact CA-O 3.03Å |
| 252 | E | 95.9 | Very high | 94.9 | Very high | 136 Ų | 136 | 56.1 Ų | 56.1 | 64% | 0.636 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 133.7 | 162.3 | -65.4 | -174.5 | -176.8 | 0 | 0 | 109.8 | A297 S298 | E252-A297 WeakPolarHBondContact O-CA 3.1Å; E252-S298 PolarHBondContact N-O 3.44Å; E252-S298 PolarHBondContact O-N 3.47Å; E252-S298 PolarHBondContact O-OG 3.06Å |
| 253 | F | 96.3 | Very high | 93.9 | Very high | 8 Ų | 8 | 59.2 Ų | 59.2 | 4% | 0.035 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 139.8 | -176.6 | -69.3 | -93 | 0 | 0 | 0 | 112.5 | A245 A251 N273 S278 V296 A297 | A245-F253 HydrophobicContact CB-CE1 3.78Å; A245-F253 HydrophobicContact CB-CZ 3.65Å; A251-F253 HydrophobicContact CB-CE2 4.2Å; A251-F253 HydrophobicContact CB-CZ 4.44Å; F253-N273 WeakPolarHBondContact CB-OD1 3.46Å; F253-N273 PolarHBondContact O-ND2 2.84Å; F253-N273 VanDerWaalsContact O-ND2 3.08Å; F253-S278 VanDerWaalsContact CG-CB 3.45Å; F253-V296 CarbonylContact C-O 3.53Å; F253-V296 WeakPolarHBondContact CA-O 3.45Å; F253-A297 HydrophobicContact CD1-CB 3.95Å; F253-A297 HydrophobicContact CE1-CB 3.77Å; F253-A297 HydrophobicContact CZ-CB 4.4Å |
| 254 | Q | 95.8 | Very high | 92.6 | Very high | 43 Ų | 43 | 65.4 Ų | 65.4 | 20% | 0.201 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 142.4 | 175.9 | -60.3 | 177.9 | 6.2 | 0 | 0 | 110 | Y256 V296 | Q254-Y256 HydrophobicContact CB-CE2 3.7Å; Q254-Y256 PolarHBondContact OE1-OH 3.46Å; Q254-V296 PolarHBondContact N-O 3.14Å; Q254-V296 PolarHBondContact O-N 2.84Å |
| 255 | W | 96.3 | Very high | 91 | Very high | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.008 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 142.3 | 177.9 | -70.4 | 88.2 | 0 | 0 | 0 | 111 | L241 C243 L262 S278 L280 T294 C295 I308 | L241-W255 HydrophobicContact CB-CH2 3.8Å; L241-W255 HydrophobicContact CB-CZ3 4.03Å; L241-W255 HydrophobicContact CD1-CZ3 4.29Å; C243-W255 HydrophobicContact CB-CH2 3.84Å; C243-W255 HydrophobicContact CB-CZ2 3.67Å; W255-L262 HydrophobicContact CB-CB 4.31Å; W255-L262 HydrophobicContact CB-CD1 4.07Å; W255-L262 HydrophobicContact CB-CG 4.5Å; W255-L262 PolarHBondContact O-N 2.91Å; W255-S278 PolarHBondContact NE1-OG 2.87Å; W255-L280 HydrophobicContact CB-CD2 4.41Å; W255-L280 HydrophobicContact CD2-CB 3.77Å; W255-L280 HydrophobicContact CD2-CD2 4.13Å; W255-L280 HydrophobicContact CD2-CG 4.49Å; W255-L280 HydrophobicContact CE3-CB 4.12Å; W255-L280 HydrophobicContact CE3-CD2 3.96Å; W255-L280 HydrophobicContact CG-CB 4.16Å; W255-L280 HydrophobicContact CG-CD2 4.34Å; W255-L280 HydrophobicContact CH2-CB 4.34Å; W255-L280 HydrophobicContact CZ2-CB 4.05Å; W255-L280 HydrophobicContact CZ3-CB 4.38Å; W255-T294 CarbonylContact C-O 3.53Å; W255-T294 WeakPolarHBondContact CA-O 3.34Å; W255-C295 HydrophobicContact CD2-CB 4.31Å; W255-C295 HydrophobicContact CE3-CB 4.05Å; W255-C295 HydrophobicContact CH2-CB 3.98Å; W255-C295 HydrophobicContact CZ2-CB 4.2Å; W255-C295 HydrophobicContact CZ3-CB 3.89Å; W255-I308 HydrophobicContact CH2-CD1 3.46Å; W255-I308 VanDerWaalsContact CH2-CD1 3.46Å; W255-I308 HydrophobicContact CZ3-CB 4.41Å; W255-I308 HydrophobicContact CZ3-CD1 3.64Å |
| 256 | Y | 95.6 | Very high | 89.4 | Confident | 58 Ų | 58 | 73.2 Ų | 73.2 | 23% | 0.227 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 145.7 | 179.4 | -65.4 | -103.7 | 0 | 0 | 0 | 110.1 | Q254 K260 R261 Y293 T294 V296 | Q254-Y256 HydrophobicContact CB-CE2 3.7Å; Q254-Y256 PolarHBondContact OE1-OH 3.46Å; Y256-K260 VanDerWaalsContact CA-O 3.32Å; Y256-K260 WeakPolarHBondContact CA-O 3.5Å; Y256-R261 HydrophobicContact CD1-CB 4Å; Y256-R261 HydrophobicContact CE1-CB 3.61Å; Y256-R261 HydrophobicContact CE1-CG 4.22Å; Y256-Y293 CarbonylContact O-C 3.55Å; Y256-Y293 WeakPolarHBondContact O-CA 3.5Å; Y256-T294 PolarHBondContact N-O 2.86Å; Y256-T294 PolarHBondContact O-N 2.8Å; Y256-V296 HydrophobicContact CD2-CG2 3.75Å; Y256-V296 HydrophobicContact CE2-CB 4.21Å; Y256-V296 HydrophobicContact CE2-CG2 3.7Å |
| 257 | K | 93.8 | Very high | 88 | Confident | 30 Ų | 30 | 79.6 Ų | 79.6 | 13% | 0.13 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 128.3 | 165.9 | -168.8 | -170.6 | -176.7 | 164.1 | 0 | 107.7 | D259 K260 L262 H288 D289 Y290 Y293 | K257-D259 VanDerWaalsContact C-N 3.27Å; K257-D259 PolarHBondContact O-N 3.31Å; K257-K260 PolarHBondContact N-O 2.83Å; K257-K260 WeakPolarHBondContact O-CB 3.41Å; K257-K260 PolarHBondContact O-N 2.92Å; K257-L262 HydrophobicContact CB-CD1 4.47Å; K257-L262 HydrophobicContact CB-CD2 4.1Å; K257-L262 HydrophobicContact CB-CG 4.49Å; K257-H288 PolarHBondContact NZ-O 3.28Å; K257-D289 PolarHBondContact NZ-O 3Å; K257-D289 VanDerWaalsContact NZ-O 3.14Å; K257-Y290 PolarHBondContact NZ-O 2.93Å; K257-Y290 VanDerWaalsContact NZ-O 3.11Å; K257-Y293 HydrophobicContact CB-CD1 3.96Å; K257-Y293 HydrophobicContact CB-CE1 3.81Å; K257-Y293 HydrophobicContact CD-CE1 3.75Å; K257-Y293 HydrophobicContact CG-CD1 4.22Å; K257-Y293 HydrophobicContact CG-CE1 3.86Å; K257-Y293 PolarHBondContact NZ-OH 2.76Å |
| 258 | D | 89.3 | Confident | 87.5 | Confident | 123 Ų | 123 | 82.1 Ų | 82.1 | 66% | 0.658 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 48.8 | -178.6 | -46.4 | -43.7 | 0 | 0 | 0 | 111.9 | K260 | D258-K260 PolarHBondContact O-N 2.95Š|
| 259 | D | 88.6 | Confident | 87.1 | Confident | 155 Ų | 155 | 81 Ų | 81 | 83% | 0.829 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60 | 6.9 | -176.8 | -55.7 | -45 | 0 | 0 | 0 | 116.2 | K257 | K257-D259 VanDerWaalsContact C-N 3.27Å; K257-D259 PolarHBondContact O-N 3.31Å |
| 260 | K | 91.7 | Very high | 86.8 | Confident | 156 Ų | 156 | 82.3 Ų | 82.3 | 68% | 0.678 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101 | 125.6 | 176.6 | -67.3 | 174.6 | -175.3 | 171.6 | 0 | 110.5 | Y256 K257 D258 L262 | Y256-K260 VanDerWaalsContact CA-O 3.32Å; Y256-K260 WeakPolarHBondContact CA-O 3.5Å; K257-K260 PolarHBondContact N-O 2.83Å; K257-K260 WeakPolarHBondContact O-CB 3.41Å; K257-K260 PolarHBondContact O-N 2.92Å; D258-K260 PolarHBondContact O-N 2.95Å; K260-L262 PolarHBondContact O-N 2.82Å |
| 261 | R | 92 | Very high | 86.8 | Confident | 144 Ų | 144 | 80.3 Ų | 80.3 | 54% | 0.543 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 127.9 | 175.3 | -173.4 | 175.3 | 172.4 | -175.7 | 0.8 | 110.4 | Y256 | Y256-R261 HydrophobicContact CD1-CB 4Å; Y256-R261 HydrophobicContact CE1-CB 3.61Å; Y256-R261 HydrophobicContact CE1-CG 4.22Å |
| 262 | L | 90.1 | Very high | 86.7 | Confident | 27 Ų | 27 | 83.1 Ų | 83.1 | 14% | 0.141 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -79.3 | 126.4 | 170.7 | -58.8 | -179.9 | 0 | 0 | 0 | 108.7 | W255 K257 K260 L280 Y293 | W255-L262 HydrophobicContact CB-CB 4.31Å; W255-L262 HydrophobicContact CB-CD1 4.07Å; W255-L262 HydrophobicContact CB-CG 4.5Å; W255-L262 PolarHBondContact O-N 2.91Å; K257-L262 HydrophobicContact CB-CD1 4.47Å; K257-L262 HydrophobicContact CB-CD2 4.1Å; K257-L262 HydrophobicContact CB-CG 4.49Å; K260-L262 PolarHBondContact O-N 2.82Å; L262-L280 HydrophobicContact CD1-CD1 4.09Å; L262-L280 HydrophobicContact CD1-CD2 3.61Å; L262-Y293 HydrophobicContact CD1-CD1 3.76Å; L262-Y293 HydrophobicContact CD1-CE1 3.78Å |
| 263 | I | 76.9 | Confident | 86.6 | Confident | 105 Ų | 105 | 80.5 Ų | 80.5 | 54% | 0.538 | 41% | 0.409 | S | S | . | . | trans | -108.2 | 131.7 | -178.4 | -55.1 | 174.5 | 0 | 0 | 0 | 108 | G265 K266 | I263-G265 PolarHBondContact O-N 2.91Å; I263-K266 PolarHBondContact O-N 2.92Å | ||
| 264 | E | 69.9 | Low | 86.4 | Confident | 130 Ų | 130 | 88.5 Ų | 88.5 | 61% | 0.607 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 134.7 | 177.4 | -166.8 | 174.3 | -167.5 | 0 | 0 | 111.3 | K266 | E264-K266 VanDerWaalsContact C-N 3.34Å; E264-K266 PolarHBondContact O-N 3.25Å |
| 265 | G | 63.4 | Low | 86 | Confident | 72 Ų | 72 | 89.8 Ų | 89.8 | 74% | 0.742 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.8 | -6.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | I263 | I263-G265 PolarHBondContact O-N 2.91Š|
| 266 | K | 64.5 | Low | 85.9 | Confident | 150 Ų | 150 | 95 Ų | 95 | 65% | 0.652 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -104.9 | 130 | 168.8 | -84.2 | -178.1 | 173.8 | 177 | 0 | 110.1 | I263 E264 | I263-K266 PolarHBondContact O-N 2.92Å; E264-K266 VanDerWaalsContact C-N 3.34Å; E264-K266 PolarHBondContact O-N 3.25Å |
| 267 | K | 67.6 | Low | 85.9 | Confident | 176 Ų | 176 | 94.1 Ų | 94.1 | 77% | 0.765 | 47% | 0.473 | S | S | * | . | S | Bend | trans | 78.5 | 38.9 | 172.2 | -51.7 | -178.3 | 172.3 | -173.8 | 0 | 118.4 | V269 | K267-V269 PolarHBondContact O-N 3.39Š|
| 268 | G | 84.4 | Confident | 86 | Confident | 52 Ų | 52 | 92.7 Ų | 92.7 | 54% | 0.536 | 47% | 0.466 | S | S | . | . | S | Bend | trans | 64 | 17.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | F283 | G268-F283 VanDerWaalsContact O-CD2 3.27Å; G268-F283 WeakPolarHBondContact O-CD2 3.13Å; G268-F283 PolarHBondContact O-N 3.24Å |
| 269 | V | 88.6 | Confident | 86.4 | Confident | 14 Ų | 14 | 90.1 Ų | 90.1 | 9% | 0.085 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 149.7 | 176.8 | -66.6 | 0 | 0 | 0 | 0 | 110.7 | K267 L280 I281 F282 | K267-V269 PolarHBondContact O-N 3.39Å; V269-L280 HydrophobicContact CB-CD1 4.12Å; V269-L280 HydrophobicContact CG2-CD1 4.46Å; V269-I281 CarbonylContact C-O 3.59Å; V269-I281 WeakPolarHBondContact CA-O 2.98Å; V269-F282 HydrophobicContact CG1-CD1 3.37Å; V269-F282 HydrophobicContact CG1-CE1 3.52Å; V269-F282 HydrophobicContact CG1-CG 4.03Å; V269-F282 HydrophobicContact CG1-CZ 4.27Å |
| 270 | K | 92.3 | Very high | 86.7 | Confident | 76 Ų | 76 | 82.7 Ų | 82.7 | 33% | 0.33 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 135.4 | 175.3 | -176.4 | -174.7 | -178.1 | -164.3 | 0 | 109.4 | E272 I281 F283 | K270-E272 HydrophobicContact CD-CG 4.16Å; K270-E272 WeakPolarHBondContact CE-OE1 3.48Å; K270-E272 HydrophobicContact CG-CG 4.33Å; K270-E272 IonicContact NZ-OE1 3.37Å; K270-E272 PolarHBondContact NZ-OE1 2.84Å; K270-I281 HydrophobicContact CB-CB 4.39Å; K270-I281 PolarHBondContact N-O 2.79Å; K270-I281 PolarHBondContact O-N 2.85Å; K270-F283 HydrophobicContact CB-CE2 3.9Å; K270-F283 HydrophobicContact CB-CZ 3.78Å; K270-F283 HydrophobicContact CD-CZ 4.14Å |
| 271 | V | 93.9 | Very high | 86.9 | Confident | 20 Ų | 20 | 75.8 Ų | 75.8 | 12% | 0.121 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 125.8 | 172.7 | 178 | 0 | 0 | 0 | 0 | 108.3 | N273 K279 L280 | V271-N273 WeakPolarHBondContact CG1-OD1 3.24Å; V271-K279 CarbonylContact C-O 3.54Å; V271-K279 WeakPolarHBondContact CA-O 3.31Å; V271-L280 HydrophobicContact CG2-CD1 3.75Å |
| 272 | E | 93.8 | Very high | 87 | Confident | 68 Ų | 68 | 69 Ų | 69 | 32% | 0.318 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 105.7 | 173.7 | -66.1 | -173.8 | 172.9 | 0 | 0 | 109.3 | K270 S278 K279 I281 | K270-E272 HydrophobicContact CD-CG 4.16Å; K270-E272 WeakPolarHBondContact CE-OE1 3.48Å; K270-E272 HydrophobicContact CG-CG 4.33Å; K270-E272 IonicContact NZ-OE1 3.37Å; K270-E272 PolarHBondContact NZ-OE1 2.84Å; E272-S278 WeakPolarHBondContact O-CA 3.27Å; E272-K279 HydrophobicContact CB-CB 4.4Å; E272-K279 PolarHBondContact N-O 2.86Å; E272-K279 PolarHBondContact O-N 2.94Å; E272-I281 VanDerWaalsContact CD-CD1 3.47Å; E272-I281 HydrophobicContact CG-CD1 3.9Å |
| 273 | N | 93.4 | Very high | 87.1 | Confident | 81 Ų | 81 | 73.5 Ų | 73.5 | 43% | 0.433 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 132.2 | 179 | -74 | -16.4 | 0 | 0 | 0 | 111.4 | F253 V271 S278 | F253-N273 WeakPolarHBondContact CB-OD1 3.46Å; F253-N273 PolarHBondContact O-ND2 2.84Å; F253-N273 VanDerWaalsContact O-ND2 3.08Å; V271-N273 WeakPolarHBondContact CG1-OD1 3.24Å; N273-S278 WeakPolarHBondContact OD1-CB 3.31Å; N273-S278 PolarHBondContact OD1-OG 3.5Å |
| 274 | R | 92 | Very high | 87.9 | Confident | 177 Ų | 177 | 73.5 Ų | 73.5 | 67% | 0.668 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 163.2 | 169.9 | -58.9 | -67.9 | -171.9 | 177.4 | 0.4 | 108.4 | F276 L277 | R274-F276 PolarHBondContact O-N 3.16Å; R274-L277 WeakPolarHBondContact CA-O 3.35Å; R274-L277 HydrophobicContact CB-CB 4.41Å; R274-L277 WeakPolarHBondContact CB-O 3.27Å; R274-L277 PolarHBondContact N-O 2.84Å; R274-L277 PolarHBondContact O-N 3.22Å |
| 275 | P | 88.4 | Confident | 89.1 | Confident | 69 Ų | 69 | 67.3 Ų | 67.3 | 45% | 0.448 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -29.7 | -174.7 | -32 | 37.6 | 0 | 0 | 0 | 116.7 | ||
| 276 | F | 92.9 | Very high | 90.5 | Very high | 113 Ų | 113 | 65.9 Ų | 65.9 | 50% | 0.496 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.5 | 2.2 | -177.1 | -51.6 | -67.8 | 0 | 0 | 0 | 113.6 | E244 A245 R274 | E244-F276 VanDerWaalsContact CA-O 3.24Å; E244-F276 WeakPolarHBondContact CA-O 3.43Å; A245-F276 PolarHBondContact N-O 3.04Å; A245-F276 WeakPolarHBondContact O-CA 3.48Å; R274-F276 PolarHBondContact O-N 3.16Å |
| 277 | L | 96.2 | Very high | 91.9 | Very high | 39 Ų | 39 | 65.3 Ų | 65.3 | 20% | 0.204 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 128.1 | -169.6 | 168.4 | 62.2 | 0 | 0 | 0 | 110.3 | Q242 C243 E244 R274 K279 | Q242-L277 HydrophobicContact CG-CD1 3.48Å; Q242-L277 VanDerWaalsContact CG-CD1 3.48Å; C243-L277 CarbonylContact O-C 3.59Å; C243-L277 WeakPolarHBondContact O-CA 3.27Å; E244-L277 HydrophobicContact CG-CB 4.32Å; E244-L277 HydrophobicContact CG-CD1 3.62Å; R274-L277 WeakPolarHBondContact CA-O 3.35Å; R274-L277 HydrophobicContact CB-CB 4.41Å; R274-L277 WeakPolarHBondContact CB-O 3.27Å; R274-L277 PolarHBondContact N-O 2.84Å; R274-L277 PolarHBondContact O-N 3.22Å; L277-K279 HydrophobicContact CD1-CG 4.24Å |
| 278 | S | 97.1 | Very high | 93 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 138.7 | 169.8 | -174.9 | 0 | 0 | 0 | 0 | 111 | C243 F253 W255 E272 N273 | C243-S278 PolarHBondContact N-O 2.78Å; C243-S278 PolarHBondContact O-N 3.5Å; F253-S278 VanDerWaalsContact CG-CB 3.45Å; W255-S278 PolarHBondContact NE1-OG 2.87Å; E272-S278 WeakPolarHBondContact O-CA 3.27Å; N273-S278 WeakPolarHBondContact OD1-CB 3.31Å; N273-S278 PolarHBondContact OD1-OG 3.5Å |
| 279 | K | 96.8 | Very high | 93.4 | Very high | 68 Ų | 68 | 63.6 Ų | 63.6 | 30% | 0.296 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 130.1 | 175.3 | -67.8 | 179.9 | 176.6 | 175 | 0 | 110.7 | T240 L241 V271 E272 L277 I281 | T240-K279 HydrophobicContact CG2-CB 4.09Å; T240-K279 HydrophobicContact CG2-CD 4.22Å; T240-K279 HydrophobicContact CG2-CG 4.25Å; L241-K279 CarbonylContact O-C 3.5Å; L241-K279 VanDerWaalsContact O-CA 3.28Å; L241-K279 WeakPolarHBondContact O-CA 3.33Å; V271-K279 CarbonylContact C-O 3.54Å; V271-K279 WeakPolarHBondContact CA-O 3.31Å; E272-K279 HydrophobicContact CB-CB 4.4Å; E272-K279 PolarHBondContact N-O 2.86Å; E272-K279 PolarHBondContact O-N 2.94Å; L277-K279 HydrophobicContact CD1-CG 4.24Å; K279-I281 HydrophobicContact CB-CG1 4.22Å |
| 280 | L | 95.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 111.4 | 167.8 | 178.7 | 66.5 | 0 | 0 | 0 | 108.7 | T240 L241 W255 L262 V269 V271 F282 Y293 | T240-L280 CarbonylContact C-O 3.55Å; T240-L280 WeakPolarHBondContact CA-O 2.99Å; L241-L280 HydrophobicContact CB-CB 4.34Å; L241-L280 HydrophobicContact CD1-CD2 4.32Å; L241-L280 PolarHBondContact N-O 2.83Å; L241-L280 PolarHBondContact O-N 2.82Å; W255-L280 HydrophobicContact CB-CD2 4.41Å; W255-L280 HydrophobicContact CD2-CB 3.77Å; W255-L280 HydrophobicContact CD2-CD2 4.13Å; W255-L280 HydrophobicContact CD2-CG 4.49Å; W255-L280 HydrophobicContact CE3-CB 4.12Å; W255-L280 HydrophobicContact CE3-CD2 3.96Å; W255-L280 HydrophobicContact CG-CB 4.16Å; W255-L280 HydrophobicContact CG-CD2 4.34Å; W255-L280 HydrophobicContact CH2-CB 4.34Å; W255-L280 HydrophobicContact CZ2-CB 4.05Å; W255-L280 HydrophobicContact CZ3-CB 4.38Å; L262-L280 HydrophobicContact CD1-CD1 4.09Å; L262-L280 HydrophobicContact CD1-CD2 3.61Å; V269-L280 HydrophobicContact CB-CD1 4.12Å; V269-L280 HydrophobicContact CG2-CD1 4.46Å; V271-L280 HydrophobicContact CG2-CD1 3.75Å; L280-F282 HydrophobicContact CD2-CE2 3.89Å; L280-F282 HydrophobicContact CD2-CZ 3.7Å; L280-F282 HydrophobicContact CG-CE2 3.82Å; L280-F282 HydrophobicContact CG-CZ 4Å; L280-Y293 HydrophobicContact CD2-CD1 3.54Å; L280-Y293 HydrophobicContact CD2-CE1 3.87Å; L280-Y293 HydrophobicContact CD2-CG 4.2Å |
| 281 | I | 95.3 | Very high | 93.9 | Very high | 10 Ų | 10 | 62.3 Ų | 62.3 | 5% | 0.051 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 127.3 | -171.7 | -56.7 | 170.7 | 0 | 0 | 0 | 109.1 | K238 G239 T240 V269 K270 E272 K279 | K238-I281 VanDerWaalsContact CE-CG2 3.45Å; K238-I281 HydrophobicContact CG-CG2 4.43Å; G239-I281 WeakPolarHBondContact O-CA 3.36Å; T240-I281 HydrophobicContact CG2-CG1 4Å; V269-I281 CarbonylContact C-O 3.59Å; V269-I281 WeakPolarHBondContact CA-O 2.98Å; K270-I281 HydrophobicContact CB-CB 4.39Å; K270-I281 PolarHBondContact N-O 2.79Å; K270-I281 PolarHBondContact O-N 2.85Å; E272-I281 VanDerWaalsContact CD-CD1 3.47Å; E272-I281 HydrophobicContact CG-CD1 3.9Å; K279-I281 HydrophobicContact CB-CG1 4.22Å |
| 282 | F | 94.1 | Very high | 94.1 | Very high | 3 Ų | 3 | 65.7 Ų | 65.7 | 1% | 0.013 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 124.6 | 173.4 | -59.8 | -100.2 | 0 | 0 | 0 | 108.1 | K238 G239 L241 V269 L280 V285 D289 Y293 L310 | K238-F282 VanDerWaalsContact CA-O 3.3Å; K238-F282 WeakPolarHBondContact CA-O 2.91Å; K238-F282 VanDerWaalsContact CG-O 3.22Å; K238-F282 WeakPolarHBondContact CG-O 3.17Å; G239-F282 PolarHBondContact N-O 2.04Å; G239-F282 PolarHBondContact O-N 2.81Å; L241-F282 HydrophobicContact CD1-CE2 4.22Å; L241-F282 HydrophobicContact CG-CE2 4.12Å; V269-F282 HydrophobicContact CG1-CD1 3.37Å; V269-F282 HydrophobicContact CG1-CE1 3.52Å; V269-F282 HydrophobicContact CG1-CG 4.03Å; V269-F282 HydrophobicContact CG1-CZ 4.27Å; L280-F282 HydrophobicContact CD2-CE2 3.89Å; L280-F282 HydrophobicContact CD2-CZ 3.7Å; L280-F282 HydrophobicContact CG-CE2 3.82Å; L280-F282 HydrophobicContact CG-CZ 4Å; F282-V285 HydrophobicContact CB-CG2 3.67Å; F282-V285 HydrophobicContact CG-CG2 4.19Å; F282-D289 HydrophobicContact CD1-CB 4.17Å; F282-D289 HydrophobicContact CE1-CB 4.11Å; F282-Y293 HydrophobicContact CE1-CE1 4.24Å; F282-Y293 AromaticContact CE1-CZ 3.87Å; F282-Y293 WeakPolarHBondContact CE1-OH 3.45Å; F282-Y293 HydrophobicContact CZ-CD1 4.45Å; F282-Y293 AromaticContact CZ-CE1 3.71Å; F282-Y293 HydrophobicContact CZ-CE1 3.71Å; F282-Y293 HydrophobicContact CZ-CE2 4.02Å; F282-Y293 AromaticContact CZ-CZ 3.47Å; F282-Y293 VanDerWaalsContact CZ-CZ 3.47Å; F282-Y293 WeakPolarHBondContact CZ-OH 3.5Å; F282-L310 HydrophobicContact CD1-CD2 4.39Å; F282-L310 HydrophobicContact CD2-CD2 4.3Å; F282-L310 HydrophobicContact CE1-CD2 4.18Å; F282-L310 HydrophobicContact CE2-CD2 4.1Å; F282-L310 HydrophobicContact CG-CD2 4.46Å; F282-L310 HydrophobicContact CZ-CD2 4.04Å |
| 283 | F | 92.9 | Very high | 94.2 | Very high | 121 Ų | 121 | 62.6 Ų | 62.6 | 53% | 0.531 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -75.9 | -35.3 | 178.8 | -65.4 | -67.8 | 0 | 0 | 0 | 112.6 | G268 K270 | G268-F283 VanDerWaalsContact O-CD2 3.27Å; G268-F283 WeakPolarHBondContact O-CD2 3.13Å; G268-F283 PolarHBondContact O-N 3.24Å; K270-F283 HydrophobicContact CB-CE2 3.9Å; K270-F283 HydrophobicContact CB-CZ 3.78Å; K270-F283 HydrophobicContact CD-CZ 4.14Å |
| 284 | N | 92.9 | Very high | 94.5 | Very high | 104 Ų | 104 | 60.7 Ų | 60.7 | 56% | 0.556 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -147.5 | 109.1 | 177.8 | -179 | -3.2 | 0 | 0 | 0 | 108.2 | G236 | G236-N284 VanDerWaalsContact C-OD1 3.24Å; G236-N284 WeakPolarHBondContact CA-OD1 3.07Å; G236-N284 PolarHBondContact O-OD1 2.73Å |
| 285 | V | 94.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | -77.2 | 128.9 | -178.1 | 173.6 | 0 | 0 | 0 | 0 | 110.6 | V233 V235 G236 Q237 F282 D289 Y290 L310 | V233-V285 HydrophobicContact CB-CG2 4.33Å; V233-V285 HydrophobicContact CG1-CB 4.4Å; V233-V285 HydrophobicContact CG1-CG2 4.01Å; V235-V285 WeakPolarHBondContact CA-O 3.46Å; G236-V285 PolarHBondContact N-O 3.07Å; Q237-V285 WeakPolarHBondContact O-CG2 3.4Å; Q237-V285 PolarHBondContact O-N 2.88Å; F282-V285 HydrophobicContact CB-CG2 3.67Å; F282-V285 HydrophobicContact CG-CG2 4.19Å; V285-D289 HydrophobicContact CG1-CB 4.32Å; V285-Y290 HydrophobicContact CG1-CD1 4.32Å; V285-Y290 HydrophobicContact CG1-CE1 3.58Å; V285-Y290 HydrophobicContact CG1-CE2 4.44Å; V285-L310 HydrophobicContact CG1-CD2 4.18Å; V285-L310 HydrophobicContact CG2-CD2 4.37Å | ||
| 286 | S | 93.8 | Very high | 95.2 | Very high | 42 Ų | 42 | 50 Ų | 50 | 29% | 0.294 | 25% | 0.252 | S | S | . | . | trans | -107 | 165.5 | 170.7 | 73.4 | 0 | 0 | 0 | 0 | 111.7 | H288 D289 | S286-H288 PolarHBondContact O-N 2.92Å; S286-H288 VanDerWaalsContact O-N 3.09Å; S286-H288 PolarHBondContact OG-N 3.18Å; S286-D289 WeakPolarHBondContact CB-OD2 3.36Å; S286-D289 PolarHBondContact N-OD2 2.86Å; S286-D289 WeakPolarHBondContact O-CB 3.29Å; S286-D289 PolarHBondContact O-N 3.2Å; S286-D289 PolarHBondContact OG-OD2 2.78Å | ||
| 287 | E | 93.1 | Very high | 95.4 | Very high | 138 Ų | 138 | 44.7 Ų | 44.7 | 65% | 0.645 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -28.2 | 175.3 | -66 | -179.4 | -177.9 | 0 | 0 | 112.9 | V235 D289 Y290 | V235-E287 HydrophobicContact CG2-CG 4.06Å; E287-D289 VanDerWaalsContact C-N 3.28Å; E287-D289 PolarHBondContact O-N 3.1Å; E287-Y290 WeakPolarHBondContact O-CD2 3.26Å |
| 288 | H | 91.7 | Very high | 95.4 | Very high | 159 Ų | 159 | 44.1 Ų | 44.1 | 74% | 0.736 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -13.4 | -178.8 | -60.3 | 60.4 | 0 | 0 | 0 | 112.3 | K257 S286 | K257-H288 PolarHBondContact NZ-O 3.28Å; S286-H288 PolarHBondContact O-N 2.92Å; S286-H288 VanDerWaalsContact O-N 3.09Å; S286-H288 PolarHBondContact OG-N 3.18Å |
| 289 | D | 92.8 | Very high | 95.4 | Very high | 34 Ų | 34 | 45.3 Ų | 45.3 | 18% | 0.182 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -22.3 | 179.2 | -63.1 | -50.9 | 0 | 0 | 0 | 111.9 | K257 F282 V285 S286 E287 Y293 L310 | K257-D289 PolarHBondContact NZ-O 3Å; K257-D289 VanDerWaalsContact NZ-O 3.14Å; F282-D289 HydrophobicContact CD1-CB 4.17Å; F282-D289 HydrophobicContact CE1-CB 4.11Å; V285-D289 HydrophobicContact CG1-CB 4.32Å; S286-D289 WeakPolarHBondContact CB-OD2 3.36Å; S286-D289 PolarHBondContact N-OD2 2.86Å; S286-D289 WeakPolarHBondContact O-CB 3.29Å; S286-D289 PolarHBondContact O-N 3.2Å; S286-D289 PolarHBondContact OG-OD2 2.78Å; E287-D289 VanDerWaalsContact C-N 3.28Å; E287-D289 PolarHBondContact O-N 3.1Å; D289-Y293 VanDerWaalsContact O-CE2 3.23Å; D289-Y293 WeakPolarHBondContact O-CE2 3.28Å; D289-Y293 VanDerWaalsContact O-CZ 3.3Å; D289-Y293 PolarHBondContact O-OH 2.82Å; D289-L310 HydrophobicContact CB-CD2 4.09Å |
| 290 | Y | 95.6 | Very high | 95.5 | Very high | 38 Ų | 38 | 49.4 Ų | 49.4 | 15% | 0.149 | 25% | 0.252 | C | S | . | . | trans | -60.6 | 155.6 | 175.8 | -60.3 | -55.1 | 0 | 0 | 0 | 112.2 | V233 V235 K257 V285 E287 L310 F311 E312 | V233-Y290 WeakPolarHBondContact O-CE1 3.28Å; V233-Y290 PolarHBondContact O-OH 3.25Å; V235-Y290 HydrophobicContact CG2-CE2 4.04Å; V235-Y290 PolarHBondContact N-OH 2.85Å; K257-Y290 PolarHBondContact NZ-O 2.93Å; K257-Y290 VanDerWaalsContact NZ-O 3.11Å; V285-Y290 HydrophobicContact CG1-CD1 4.32Å; V285-Y290 HydrophobicContact CG1-CE1 3.58Å; V285-Y290 HydrophobicContact CG1-CE2 4.44Å; E287-Y290 WeakPolarHBondContact O-CD2 3.26Å; Y290-L310 WeakPolarHBondContact CA-O 3.15Å; Y290-L310 HydrophobicContact CD1-CD2 4.24Å; Y290-L310 HydrophobicContact CD1-CG 3.99Å; Y290-L310 HydrophobicContact CE1-CG 4.38Å; Y290-F311 WeakPolarHBondContact CE1-O 3.44Å; Y290-E312 HydrophobicContact CD1-CB 4.46Å; Y290-E312 HydrophobicContact CD2-CB 4.14Å; Y290-E312 VanDerWaalsContact CE1-CA 3.49Å; Y290-E312 HydrophobicContact CE1-CB 3.97Å; Y290-E312 VanDerWaalsContact CE1-N 3.34Å; Y290-E312 HydrophobicContact CE2-CB 3.61Å; Y290-E312 HydrophobicContact CE2-CG 3.92Å | ||
| 291 | G | 95.8 | Very high | 95.5 | Very high | 25 Ų | 25 | 52.4 Ų | 52.4 | 26% | 0.258 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 125.8 | -167.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L310 | G291-L310 PolarHBondContact N-O 3Å; G291-L310 PolarHBondContact O-N 2.85Å |
| 292 | N | 97.2 | Very high | 95.6 | Very high | 90 Ų | 90 | 53.1 Ų | 53.1 | 48% | 0.481 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 136.4 | -178.3 | -72.2 | -26.7 | 0 | 0 | 0 | 111.3 | ||
| 293 | Y | 97.1 | Very high | 95.8 | Very high | 4 Ų | 4 | 59.6 Ų | 59.6 | 2% | 0.016 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 135.3 | 174.5 | -70.4 | -95.8 | 0 | 0 | 0 | 108.6 | L241 Y256 K257 L262 L280 F282 D289 S307 I308 L310 | L241-Y293 HydrophobicContact CD1-CD1 4.46Å; L241-Y293 HydrophobicContact CD1-CD2 3.52Å; L241-Y293 HydrophobicContact CD1-CE2 4.26Å; L241-Y293 HydrophobicContact CD1-CG 3.64Å; Y256-Y293 CarbonylContact O-C 3.55Å; Y256-Y293 WeakPolarHBondContact O-CA 3.5Å; K257-Y293 HydrophobicContact CB-CD1 3.96Å; K257-Y293 HydrophobicContact CB-CE1 3.81Å; K257-Y293 HydrophobicContact CD-CE1 3.75Å; K257-Y293 HydrophobicContact CG-CD1 4.22Å; K257-Y293 HydrophobicContact CG-CE1 3.86Å; K257-Y293 PolarHBondContact NZ-OH 2.76Å; L262-Y293 HydrophobicContact CD1-CD1 3.76Å; L262-Y293 HydrophobicContact CD1-CE1 3.78Å; L280-Y293 HydrophobicContact CD2-CD1 3.54Å; L280-Y293 HydrophobicContact CD2-CE1 3.87Å; L280-Y293 HydrophobicContact CD2-CG 4.2Å; F282-Y293 HydrophobicContact CE1-CE1 4.24Å; F282-Y293 AromaticContact CE1-CZ 3.87Å; F282-Y293 WeakPolarHBondContact CE1-OH 3.45Å; F282-Y293 HydrophobicContact CZ-CD1 4.45Å; F282-Y293 AromaticContact CZ-CE1 3.71Å; F282-Y293 HydrophobicContact CZ-CE1 3.71Å; F282-Y293 HydrophobicContact CZ-CE2 4.02Å; F282-Y293 AromaticContact CZ-CZ 3.47Å; F282-Y293 VanDerWaalsContact CZ-CZ 3.47Å; F282-Y293 WeakPolarHBondContact CZ-OH 3.5Å; D289-Y293 VanDerWaalsContact O-CE2 3.23Å; D289-Y293 WeakPolarHBondContact O-CE2 3.28Å; D289-Y293 VanDerWaalsContact O-CZ 3.3Å; D289-Y293 PolarHBondContact O-OH 2.82Å; Y293-S307 CarbonylContact O-C 3.57Å; Y293-S307 WeakPolarHBondContact O-CA 3.31Å; Y293-I308 PolarHBondContact N-O 3.02Å; Y293-I308 PolarHBondContact O-N 2.96Å; Y293-L310 HydrophobicContact CD2-CB 4.26Å; Y293-L310 HydrophobicContact CE2-CB 3.9Å; Y293-L310 HydrophobicContact CE2-CD2 4.42Å |
| 294 | T | 97.8 | Very high | 96 | Very high | 41 Ų | 41 | 55.9 Ų | 55.9 | 25% | 0.252 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 119.9 | 176 | -57.8 | 0 | 0 | 0 | 0 | 109.3 | W255 Y256 V296 N305 A306 | W255-T294 CarbonylContact C-O 3.53Å; W255-T294 WeakPolarHBondContact CA-O 3.34Å; Y256-T294 PolarHBondContact N-O 2.86Å; Y256-T294 PolarHBondContact O-N 2.8Å; T294-V296 HydrophobicContact CG2-CG2 4.08Å; T294-N305 HydrophobicContact CG2-CB 3.9Å; T294-A306 WeakPolarHBondContact CA-O 3.48Å |
| 295 | C | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 129.4 | 166.2 | 171.9 | 0 | 0 | 0 | 0 | 108.5 | C243 W255 N305 A306 I308 | C243-C295 HydrophobicContact CB-CB 3.6Å; C243-C295 WeakPolarHBondContact CB-SG 3.49Å; C243-C295 WeakPolarHBondContact SG-CB 3.49Å; C243-C295 CovalentContact SG-SG 2.04Å; C243-C295 PolarHBondContact SG-SG 3.46Å; W255-C295 HydrophobicContact CD2-CB 4.31Å; W255-C295 HydrophobicContact CE3-CB 4.05Å; W255-C295 HydrophobicContact CH2-CB 3.98Å; W255-C295 HydrophobicContact CZ2-CB 4.2Å; W255-C295 HydrophobicContact CZ3-CB 3.89Å; C295-N305 CarbonylContact O-C 3.4Å; C295-N305 WeakPolarHBondContact O-CA 3.44Å; C295-N305 WeakPolarHBondContact O-CB 3.31Å; C295-A306 PolarHBondContact N-O 3.04Å; C295-A306 PolarHBondContact O-N 3.02Å; C295-I308 HydrophobicContact CB-CD1 3.97Å |
| 296 | V | 97.5 | Very high | 96.4 | Very high | 22 Ų | 22 | 56.5 Ų | 56.5 | 13% | 0.133 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 124.7 | 174.4 | -177.6 | 0 | 0 | 0 | 0 | 108.3 | F253 Q254 Y256 T294 T304 N305 | F253-V296 CarbonylContact C-O 3.53Å; F253-V296 WeakPolarHBondContact CA-O 3.45Å; Q254-V296 PolarHBondContact N-O 3.14Å; Q254-V296 PolarHBondContact O-N 2.84Å; Y256-V296 HydrophobicContact CD2-CG2 3.75Å; Y256-V296 HydrophobicContact CE2-CB 4.21Å; Y256-V296 HydrophobicContact CE2-CG2 3.7Å; T294-V296 HydrophobicContact CG2-CG2 4.08Å; V296-T304 WeakPolarHBondContact CA-O 3.35Å; V296-N305 HydrophobicContact CG2-CB 3.97Å |
| 297 | A | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 130.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | P223 A245 A251 E252 F253 H303 T304 | P223-A297 HydrophobicContact CB-CB 3.98Å; A245-A297 HydrophobicContact CB-CB 3.77Å; A251-A297 HydrophobicContact CB-CB 4.14Å; E252-A297 WeakPolarHBondContact O-CA 3.1Å; F253-A297 HydrophobicContact CD1-CB 3.95Å; F253-A297 HydrophobicContact CE1-CB 3.77Å; F253-A297 HydrophobicContact CZ-CB 4.4Å; A297-H303 CarbonylContact O-C 3.58Å; A297-H303 WeakPolarHBondContact O-CA 3.33Å; A297-T304 HydrophobicContact CB-CG2 4.26Å; A297-T304 PolarHBondContact N-O 3.28Å; A297-T304 PolarHBondContact O-N 3.37Å |
| 298 | S | 97.1 | Very high | 96.8 | Very high | 27 Ų | 27 | 51.8 Ų | 51.8 | 19% | 0.189 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 145.3 | -174.2 | 60.9 | 0 | 0 | 0 | 0 | 112.6 | A251 E252 G302 | A251-S298 CarbonylContact C-O 3.48Å; A251-S298 WeakPolarHBondContact CA-O 3.03Å; E252-S298 PolarHBondContact N-O 3.44Å; E252-S298 PolarHBondContact O-N 3.47Å; E252-S298 PolarHBondContact O-OG 3.06Å; S298-G302 WeakPolarHBondContact CA-O 3.42Å |
| 299 | N | 97.3 | Very high | 97 | Very high | 26 Ų | 26 | 49 Ų | 49 | 14% | 0.139 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | -174.6 | 166.5 | 76.4 | 5.7 | 0 | 0 | 0 | 109.4 | Y221 P223 P249 L301 G302 | Y221-N299 PolarHBondContact O-ND2 3.39Å; P223-N299 WeakPolarHBondContact CD-OD1 3.49Å; P223-N299 HydrophobicContact CG-CB 4.08Å; P249-N299 PolarHBondContact O-ND2 2.53Å; N299-L301 PolarHBondContact O-N 3.25Å; N299-L301 WeakPolarHBondContact OD1-CA 3.27Å; N299-L301 WeakPolarHBondContact OD1-CB 3.33Å; N299-L301 PolarHBondContact OD1-N 3.34Å; N299-G302 PolarHBondContact N-O 3.44Å; N299-G302 PolarHBondContact O-N 3.45Å; N299-G302 VanDerWaalsContact O-O 3.07Å; N299-G302 PolarHBondContact OD1-N 3.37Å |
| 300 | K | 97.1 | Very high | 97.2 | Very high | 154 Ų | 154 | 47.4 Ų | 47.4 | 67% | 0.67 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -15.5 | -179.5 | 70.5 | 178.9 | -175.3 | 178.2 | 0 | 115.2 | P249 | P249-K300 HydrophobicContact CG-CD 4.16Å; P249-K300 HydrophobicContact CG-CG 4.44Å |
| 301 | L | 97.5 | Very high | 97.3 | Very high | 63 Ų | 63 | 50 Ų | 50 | 33% | 0.33 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -14.7 | -177.7 | -63.7 | 174.4 | 0 | 0 | 0 | 113.1 | N220 P222 N299 | N220-L301 HydrophobicContact CB-CD1 3.65Å; P222-L301 HydrophobicContact CB-CB 4.08Å; N299-L301 PolarHBondContact O-N 3.25Å; N299-L301 WeakPolarHBondContact OD1-CA 3.27Å; N299-L301 WeakPolarHBondContact OD1-CB 3.33Å; N299-L301 PolarHBondContact OD1-N 3.34Å |
| 302 | G | 97.3 | Very high | 97.3 | Very high | 25 Ų | 25 | 53 Ų | 53 | 26% | 0.258 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 159 | -169.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | P223 S298 N299 | P223-G302 WeakPolarHBondContact CD-O 3.44Å; S298-G302 WeakPolarHBondContact CA-O 3.42Å; N299-G302 PolarHBondContact N-O 3.44Å; N299-G302 PolarHBondContact O-N 3.45Å; N299-G302 VanDerWaalsContact O-O 3.07Å; N299-G302 PolarHBondContact OD1-N 3.37Å |
| 303 | H | 97.4 | Very high | 97.1 | Very high | 138 Ų | 138 | 51.8 Ų | 51.8 | 64% | 0.639 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 158.1 | 178.7 | 65 | -79 | 0 | 0 | 0 | 111 | A297 | A297-H303 CarbonylContact O-C 3.58Å; A297-H303 WeakPolarHBondContact O-CA 3.33Å |
| 304 | T | 97.9 | Very high | 96.5 | Very high | 43 Ų | 43 | 59.3 Ų | 59.3 | 26% | 0.264 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 163.3 | 172.6 | -169.3 | 0 | 0 | 0 | 0 | 109.3 | P223 I225 V296 A297 | P223-T304 HydrophobicContact CB-CG2 4.13Å; P223-T304 WeakPolarHBondContact O-CB 3.36Å; P223-T304 WeakPolarHBondContact O-CG2 3.3Å; I225-T304 HydrophobicContact CB-CG2 4.47Å; I225-T304 HydrophobicContact CD1-CG2 3.82Å; I225-T304 HydrophobicContact CG1-CG2 3.69Å; V296-T304 WeakPolarHBondContact CA-O 3.35Å; A297-T304 HydrophobicContact CB-CG2 4.26Å; A297-T304 PolarHBondContact N-O 3.28Å; A297-T304 PolarHBondContact O-N 3.37Å |
| 305 | N | 97.4 | Very high | 95.3 | Very high | 98 Ų | 98 | 62.5 Ų | 62.5 | 52% | 0.524 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 160.6 | 179.6 | 65.7 | 32.8 | 0 | 0 | 0 | 112.8 | T294 C295 V296 | T294-N305 HydrophobicContact CG2-CB 3.9Å; C295-N305 CarbonylContact O-C 3.4Å; C295-N305 WeakPolarHBondContact O-CA 3.44Å; C295-N305 WeakPolarHBondContact O-CB 3.31Å; V296-N305 HydrophobicContact CG2-CB 3.97Å |
| 306 | A | 97.6 | Very high | 93.8 | Very high | 19 Ų | 19 | 68.8 Ų | 68.8 | 16% | 0.157 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 141.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | I225 A228 T294 C295 | I225-A306 HydrophobicContact CD1-CB 3.63Å; I225-A306 HydrophobicContact CG2-CB 4.09Å; A228-A306 HydrophobicContact CB-CB 3.72Å; T294-A306 WeakPolarHBondContact CA-O 3.48Å; C295-A306 PolarHBondContact N-O 3.04Å; C295-A306 PolarHBondContact O-N 3.02Å |
| 307 | S | 97.1 | Very high | 92 | Very high | 78 Ų | 78 | 71.6 Ų | 71.6 | 55% | 0.545 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 130.7 | 173.1 | -178.4 | 0 | 0 | 0 | 0 | 110.3 | Y293 | Y293-S307 CarbonylContact O-C 3.57Å; Y293-S307 WeakPolarHBondContact O-CA 3.31Å |
| 308 | I | 97.6 | Very high | 90.1 | Very high | 3 Ų | 3 | 79.7 Ų | 79.7 | 2% | 0.015 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 129.9 | -173.6 | -61.5 | 168.1 | 0 | 0 | 0 | 108.6 | A228 K229 G230 L241 C243 W255 Y293 C295 | A228-I308 HydrophobicContact CB-CD1 3.91Å; A228-I308 HydrophobicContact CB-CG1 3.78Å; K229-I308 VanDerWaalsContact C-CG2 3.49Å; K229-I308 WeakPolarHBondContact O-CG2 3.42Å; G230-I308 VanDerWaalsContact CA-CG2 3.48Å; L241-I308 HydrophobicContact CB-CG2 4.05Å; L241-I308 HydrophobicContact CD1-CG2 4.1Å; L241-I308 HydrophobicContact CD2-CG2 3.98Å; L241-I308 HydrophobicContact CG-CG2 4.26Å; C243-I308 HydrophobicContact CB-CD1 3.98Å; W255-I308 HydrophobicContact CH2-CD1 3.46Å; W255-I308 VanDerWaalsContact CH2-CD1 3.46Å; W255-I308 HydrophobicContact CZ3-CB 4.41Å; W255-I308 HydrophobicContact CZ3-CD1 3.64Å; Y293-I308 PolarHBondContact N-O 3.02Å; Y293-I308 PolarHBondContact O-N 2.96Å; C295-I308 HydrophobicContact CB-CD1 3.97Å |
| 309 | M | 97.3 | Very high | 87.9 | Confident | 102 Ų | 102 | 84.2 Ų | 84.2 | 50% | 0.502 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 131.1 | -174.7 | -163.5 | 176.5 | -171.4 | 0 | 0 | 112.3 | G230 T231 F311 | G230-M309 WeakPolarHBondContact CA-O 3.3Å; T231-M309 PolarHBondContact N-O 2.73Å; T231-M309 VanDerWaalsContact N-O 3.16Å; M309-F311 HydrophobicContact CE-CB 4.33Å; M309-F311 HydrophobicContact CG-CB 4.44Å; M309-F311 HydrophobicContact CG-CD1 4.38Å |
| 310 | L | 97 | Very high | 85.7 | Confident | 0 Ų | 0 | 88.5 Ų | 88.5 | 0% | 0 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 123.8 | 159.9 | -172.4 | 74.8 | 0 | 0 | 0 | 108 | V233 L241 F282 V285 D289 Y290 G291 Y293 | V233-L310 HydrophobicContact CG2-CD1 4Å; L241-L310 HydrophobicContact CD1-CB 4.39Å; L241-L310 HydrophobicContact CD2-CB 4.17Å; L241-L310 HydrophobicContact CD2-CD1 3.96Å; F282-L310 HydrophobicContact CD1-CD2 4.39Å; F282-L310 HydrophobicContact CD2-CD2 4.3Å; F282-L310 HydrophobicContact CE1-CD2 4.18Å; F282-L310 HydrophobicContact CE2-CD2 4.1Å; F282-L310 HydrophobicContact CG-CD2 4.46Å; F282-L310 HydrophobicContact CZ-CD2 4.04Å; V285-L310 HydrophobicContact CG1-CD2 4.18Å; V285-L310 HydrophobicContact CG2-CD2 4.37Å; D289-L310 HydrophobicContact CB-CD2 4.09Å; Y290-L310 WeakPolarHBondContact CA-O 3.15Å; Y290-L310 HydrophobicContact CD1-CD2 4.24Å; Y290-L310 HydrophobicContact CD1-CG 3.99Å; Y290-L310 HydrophobicContact CE1-CG 4.38Å; G291-L310 PolarHBondContact N-O 3Å; G291-L310 PolarHBondContact O-N 2.85Å; Y293-L310 HydrophobicContact CD2-CB 4.26Å; Y293-L310 HydrophobicContact CE2-CB 3.9Å; Y293-L310 HydrophobicContact CE2-CD2 4.42Å |
| 311 | F | 96.3 | Very high | 83.7 | Confident | 92 Ų | 92 | 92 Ų | 92 | 40% | 0.404 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 154.6 | -176.5 | 60 | -88.4 | 0 | 0 | 0 | 112.6 | T231 G232 V233 Y290 M309 V313 | T231-F311 PolarHBondContact O-N 3Å; G232-F311 CarbonylContact C-O 3.58Å; G232-F311 VanDerWaalsContact CA-O 3.25Å; G232-F311 WeakPolarHBondContact CA-O 3.18Å; V233-F311 PolarHBondContact N-O 2.72Å; Y290-F311 WeakPolarHBondContact CE1-O 3.44Å; M309-F311 HydrophobicContact CE-CB 4.33Å; M309-F311 HydrophobicContact CG-CB 4.44Å; M309-F311 HydrophobicContact CG-CD1 4.38Å; F311-V313 HydrophobicContact CD2-CG2 4.2Å; F311-V313 HydrophobicContact CE2-CG2 3.93Å |
| 312 | E | 96 | Very high | 81.5 | Confident | 88 Ų | 88 | 98.4 Ų | 98.4 | 41% | 0.411 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 135.4 | 179.7 | -170.1 | -174.9 | 175.5 | 0 | 0 | 110.8 | Y290 | Y290-E312 HydrophobicContact CD1-CB 4.46Å; Y290-E312 HydrophobicContact CD2-CB 4.14Å; Y290-E312 VanDerWaalsContact CE1-CA 3.49Å; Y290-E312 HydrophobicContact CE1-CB 3.97Å; Y290-E312 VanDerWaalsContact CE1-N 3.34Å; Y290-E312 HydrophobicContact CE2-CB 3.61Å; Y290-E312 HydrophobicContact CE2-CG 3.92Å |
| 313 | V | 94 | Very high | 79.5 | Confident | 65 Ų | 65 | 99.3 Ų | 99.3 | 39% | 0.394 | 54% | 0.537 | S | S | . | . | trans | -115.1 | 118 | 166.1 | 177.7 | 0 | 0 | 0 | 0 | 107.9 | G232 V233 P234 F311 T315 | G232-V313 VanDerWaalsContact C-CG2 3.46Å; G232-V313 VanDerWaalsContact CA-CG2 3.47Å; V233-V313 PolarHBondContact O-N 2.77Å; P234-V313 WeakPolarHBondContact CA-O 3.48Å; P234-V313 WeakPolarHBondContact CB-O 3.35Å; P234-V313 WeakPolarHBondContact CG-O 3.47Å; F311-V313 HydrophobicContact CD2-CG2 4.2Å; F311-V313 HydrophobicContact CE2-CG2 3.93Å; V313-T315 PolarHBondContact O-N 2.84Å | ||
| 314 | K | 85.1 | Confident | 77.5 | Confident | 162 Ų | 162 | 98.6 Ų | 98.6 | 70% | 0.704 | 54% | 0.544 | S | S | * | . | trans | -76.5 | 119.1 | 176.3 | -66.2 | -174.2 | 179.2 | -177 | 0 | 109.2 | T316 | K314-T316 PolarHBondContact O-N 3.08Š| ||
| 315 | T | 71.2 | Confident | 75.1 | Confident | 108 Ų | 108 | 99.7 Ų | 99.7 | 66% | 0.663 | 57% | 0.565 | S | S | * | * | trans | -71.6 | 107.2 | 169.8 | -8.3 | 0 | 0 | 0 | 0 | 108.4 | V313 A317 | V313-T315 PolarHBondContact O-N 2.84Å; T315-A317 PolarHBondContact O-N 2.93Å | ||
| 316 | T | 65.8 | Low | 72.3 | Confident | 132 Ų | 132 | 100.2 Ų | 100.2 | 81% | 0.81 | 58% | 0.582 | S | S | * | * | trans | -68.1 | 104.5 | 172.1 | -38.2 | 0 | 0 | 0 | 0 | 108 | K314 L318 | K314-T316 PolarHBondContact O-N 3.08Å; T316-L318 PolarHBondContact O-N 2.9Å | ||
| 317 | A | 60.4 | Low | 69.7 | Low | 81 Ų | 81 | 105.5 Ų | 105.5 | 67% | 0.669 | 61% | 0.612 | S | S | * | * | trans | -61.6 | 119.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | T315 T319 | T315-A317 PolarHBondContact O-N 2.93Å; A317-T319 VanDerWaalsContact C-N 3.33Å; A317-T319 PolarHBondContact O-N 2.86Å | ||
| 318 | L | 58 | Low | 66.9 | Low | 169 Ų | 169 | 106.9 Ų | 106.9 | 89% | 0.885 | 62% | 0.622 | S | S | * | * | trans | -59.8 | 103 | 164.4 | -71.7 | 169.7 | 0 | 0 | 0 | 106.3 | T316 P320 | T316-L318 PolarHBondContact O-N 2.9Å; L318-P320 WeakPolarHBondContact O-CD 3.5Å | ||
| 319 | T | 51.4 | Low | 64 | Low | 122 Ų | 122 | 115.7 Ų | 115.7 | 75% | 0.748 | 66% | 0.663 | S | S | * | * | trans | -56.4 | 125.1 | 170.6 | 43.3 | 0 | 0 | 0 | 0 | 107.4 | A317 W321 | A317-T319 VanDerWaalsContact C-N 3.33Å; A317-T319 PolarHBondContact O-N 2.86Å; T319-W321 PolarHBondContact O-N 2.88Å; T319-W321 VanDerWaalsContact O-N 3.07Å | ||
| 320 | P | 50.8 | Low | 61.1 | Low | 117 Ų | 117 | 117.1 Ų | 117.1 | 76% | 0.76 | 68% | 0.677 | S | S | * | * | trans | -56.1 | 120.9 | 173.4 | -20.8 | 30.7 | 0 | 0 | 0 | 108.2 | L318 K322 | L318-P320 WeakPolarHBondContact O-CD 3.5Å; P320-K322 PolarHBondContact O-N 3.27Å | ||
| 321 | W | 54 | Low | 58.3 | Low | 228 Ų | 228 | 121.6 Ų | 121.6 | 86% | 0.864 | 71% | 0.708 | S | S | * | * | trans | -59.1 | 101.5 | 174.4 | -179.5 | -87.3 | 0 | 0 | 0 | 108.3 | T319 G323 | T319-W321 PolarHBondContact O-N 2.88Å; T319-W321 VanDerWaalsContact O-N 3.07Å; W321-G323 PolarHBondContact O-N 3.25Å; W321-G323 VanDerWaalsContact O-N 3.13Å | ||
| 322 | K | 52.7 | Low | 55.3 | Low | 196 Ų | 196 | 124.9 Ų | 124.9 | 85% | 0.852 | 73% | 0.73 | S | S | * | * | trans | -75 | 98.6 | 165 | -72.6 | -173.1 | 178.4 | -178.7 | 0 | 105.9 | P320 | P320-K322 PolarHBondContact O-N 3.27Š| ||
| 323 | G | 54.7 | Low | 52.5 | Low | 45 Ų | 45 | 123.9 Ų | 123.9 | 46% | 0.464 | 74% | 0.743 | S | S | . | * | P | Polyproline II helix | trans | -53.4 | 148.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | W321 G325 | W321-G323 PolarHBondContact O-N 3.25Å; W321-G323 VanDerWaalsContact O-N 3.13Å; G323-G325 PolarHBondContact O-N 3.1Å |
| 324 | P | 56 | Low | 49.8 | Very low | 122 Ų | 122 | 127.9 Ų | 127.9 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 138.8 | 173.9 | 22.6 | -30.6 | 0 | 0 | 0 | 110.2 | ||
| 325 | G | 46.9 | Very low | 47.4 | Very low | 67 Ų | 67 | 125.6 Ų | 125.6 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 146.2 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | G323 V327 | G323-G325 PolarHBondContact O-N 3.1Å; G325-V327 PolarHBondContact O-N 2.99Å |
| 326 | A | 39.5 | Very low | 45.7 | Very low | 108 Ų | 108 | 132.1 Ų | 132.1 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | trans | -59.3 | 107.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | S328 | A326-S328 PolarHBondContact O-N 3.49Š| ||
| 327 | V | 42.6 | Very low | 44.5 | Very low | 131 Ų | 131 | 137.8 Ų | 137.8 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | -70.8 | 118.7 | 158.8 | -179.8 | 0 | 0 | 0 | 0 | 105.7 | G325 E329 | G325-V327 PolarHBondContact O-N 2.99Å; V327-E329 PolarHBondContact O-N 3.5Å; V327-E329 VanDerWaalsContact O-N 3.09Å | ||
| 328 | S | 38.3 | Very low | 43.4 | Very low | 106 Ų | 106 | 138.9 Ų | 138.9 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | trans | -64.2 | 105.9 | 170.2 | 50.8 | 0 | 0 | 0 | 0 | 109.1 | A326 V330 | A326-S328 PolarHBondContact O-N 3.49Å; S328-V330 PolarHBondContact O-N 3.28Å | ||
| 329 | E | 36 | Very low | 42.3 | Very low | 188 Ų | 188 | 134.5 Ų | 134.5 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | trans | -68.5 | 116.9 | 166.5 | -82.4 | -179.2 | 156.9 | 0 | 0 | 109.5 | V327 | V327-E329 PolarHBondContact O-N 3.5Å; V327-E329 VanDerWaalsContact O-N 3.09Å | ||
| 330 | V | 37.2 | Very low | 41.4 | Very low | 133 Ų | 133 | 134.3 Ų | 134.3 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | trans | -68.8 | 129.1 | 160.2 | 172.5 | 0 | 0 | 0 | 0 | 107.5 | S328 | S328-V330 PolarHBondContact O-N 3.28Š| ||
| 331 | S | 37.1 | Very low | 40.6 | Very low | 93 Ų | 93 | 134.9 Ų | 134.9 | 65% | 0.65 | 80% | 0.799 | S | S | * | * | trans | -43.9 | 129 | 177.8 | 52.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 332 | N | 33.7 | Very low | 39.7 | Very low | 162 Ų | 162 | 135.3 Ų | 135.3 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | -172.9 | 124.8 | 117.5 | -95.3 | -17.3 | 0 | 0 | 0 | 111.9 | |||||
| 333 | G | 38.3 | Very low | 38.8 | Very low | 66 Ų | 66 | 133.9 Ų | 133.9 | 68% | 0.68 | 80% | 0.802 | S | S | * | * | S | Bend | trans | 97.3 | 105.3 | 149.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 334 | T | 36.1 | Very low | 37.8 | Very low | 150 Ų | 150 | 139.3 Ų | 139.3 | 92% | 0.92 | 82% | 0.819 | S | S | * | * | trans | 80.7 | 117 | 151.2 | 56.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 335 | S | 35.4 | Very low | 37 | Very low | 113 Ų | 113 | 139.3 Ų | 139.3 | 79% | 0.79 | 82% | 0.819 | S | S | * | * | trans | -64.9 | 127.6 | 176.6 | 174.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 336 | R | 35.8 | Very low | 36.5 | Very low | 246 Ų | 246 | 144.1 Ų | 144.1 | 93% | 0.928 | 83% | 0.829 | S | S | * | * | trans | -143.8 | 123.9 | 147 | -71.7 | -164.1 | -178.3 | -162.7 | 0.7 | 110.6 | ||||
| 337 | R | 39.6 | Very low | 36.3 | Very low | 250 Ų | 250 | 146.7 Ų | 146.7 | 94% | 0.943 | 83% | 0.826 | S | S | * | * | trans | -66.4 | 127.4 | 172 | -74.2 | 178.2 | -176 | 178.4 | 1 | 109.9 | ||||
| 338 | A | 37.7 | Very low | 36 | Very low | 105 Ų | 105 | 146.6 Ų | 146.6 | 87% | 0.868 | 83% | 0.826 | S | S | * | * | trans | -106.4 | 113 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 339 | G | 34.1 | Very low | 35.7 | Very low | 76 Ų | 76 | 148.5 Ų | 148.5 | 78% | 0.784 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 134.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 340 | C | 34.1 | Very low | 35.7 | Very low | 119 Ų | 119 | 147.4 Ų | 147.4 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 119.3 | 178.7 | -141.4 | 0 | 0 | 0 | 0 | 109.3 | ||
| 341 | V | 34 | Very low | 35.5 | Very low | 128 Ų | 128 | 147.4 Ų | 147.4 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 121.3 | 175.3 | 175.7 | 0 | 0 | 0 | 0 | 108.4 | ||
| 342 | W | 33.3 | Very low | 35.5 | Very low | 237 Ų | 237 | 151.1 Ų | 151.1 | 90% | 0.898 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 119.8 | 172.4 | -69.1 | 87.2 | 0 | 0 | 0 | 109.7 | ||
| 343 | L | 33.6 | Very low | 35.6 | Very low | 167 Ų | 167 | 150.7 Ų | 150.7 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | trans | -90.1 | 115.1 | 168.1 | -82.5 | 159 | 0 | 0 | 0 | 109.2 | ||||
| 344 | L | 33.6 | Very low | 35.5 | Very low | 158 Ų | 158 | 156.8 Ų | 156.8 | 83% | 0.827 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 143.3 | 166.4 | -83.1 | 151.4 | 0 | 0 | 0 | 109.9 | ||
| 345 | P | 39.8 | Very low | 35.6 | Very low | 122 Ų | 122 | 162.8 Ų | 162.8 | 79% | 0.792 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 129.1 | 171.7 | 5.8 | 11.4 | 0 | 0 | 0 | 110.9 | ||
| 346 | L | 35.9 | Very low | 35.6 | Very low | 169 Ų | 169 | 165.3 Ų | 165.3 | 89% | 0.885 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 129.1 | 175.6 | -85.9 | 146.2 | 0 | 0 | 0 | 111.7 | ||
| 347 | L | 35.4 | Very low | 35.6 | Very low | 162 Ų | 162 | 161 Ų | 161 | 85% | 0.848 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 131 | 163.8 | -94.5 | 96.7 | 0 | 0 | 0 | 110.4 | ||
| 348 | V | 36.1 | Very low | 35.4 | Very low | 128 Ų | 128 | 156.1 Ų | 156.1 | 78% | 0.776 | 84% | 0.839 | S | S | * | * | trans | -94 | 111.3 | 165.9 | 177.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 349 | L | 33.1 | Very low | 35.3 | Very low | 146 Ų | 146 | 159.1 Ų | 159.1 | 76% | 0.764 | 84% | 0.838 | S | S | * | * | trans | -101.1 | 107 | 169.5 | -164.6 | 82.7 | 0 | 0 | 0 | 107.6 | L351 | L349-L351 HydrophobicContact CD2-CD1 4.29Š| ||
| 350 | H | 35.1 | Very low | 35.3 | Very low | 166 Ų | 166 | 164.3 Ų | 164.3 | 77% | 0.769 | 84% | 0.841 | S | S | * | * | trans | -93.1 | 106.6 | 171.4 | -112.3 | -36.8 | 0 | 0 | 0 | 109.9 | ||||
| 351 | L | 33.8 | Very low | 35.4 | Very low | 133 Ų | 133 | 167.3 Ų | 167.3 | 70% | 0.696 | 84% | 0.843 | S | S | * | * | trans | -76.3 | 132 | 156.1 | -92.1 | 115.7 | 0 | 0 | 0 | 109.1 | L349 | L349-L351 HydrophobicContact CD2-CD1 4.29Š| ||
| 352 | L | 36.7 | Very low | 35.5 | Very low | 170 Ų | 170 | 170.1 Ų | 170.1 | 89% | 0.89 | 85% | 0.848 | S | S | * | * | trans | -123.3 | 115.1 | 159.2 | -81.2 | 170.8 | 0 | 0 | 0 | 108.9 | ||||
| 353 | L | 35.7 | Very low | 35.7 | Very low | 153 Ų | 153 | 164.9 Ų | 164.9 | 80% | 0.801 | 84% | 0.844 | S | S | * | * | trans | -107.9 | 126.6 | 162.7 | -97.6 | 157.7 | 0 | 0 | 0 | 107.7 | ||||
| 354 | K | 36.2 | Very low | 35.9 | Very low | 195 Ų | 195 | 164.8 Ų | 164.8 | 85% | 0.848 | 84% | 0.842 | S | S | * | * | trans | 151.1 | 100.4 | 155 | -88 | 171.4 | -178.9 | -175.8 | 0 | 105.9 | ||||
| 355 | F | 39.2 | Very low | 36.1 | Very low | 275 Ų | 275 | 165.4 Ų | 165.4 | 100% | 1.206 | 84% | 0.843 | S | S | * | * | -163.1 | 0 | 63.2 | -104.5 | -85 | 0 | 0 | 0 | 110 |
Retrieved 355 of 355 residues in 2053.7 ms
(Link to these results)