| 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 | 34 | Very low | 39.1 | Very low | 239 Ų | 239 | 152.1 Ų | 152.1 | 100% | 1.177 | 85% | 0.848 | S | S | * | * | 0 | 127.9 | 0 | -70.9 | 167.3 | 171.3 | 0 | 0 | 106.6 | |||||
| 2 | T | 36.1 | Very low | 39.6 | Very low | 140 Ų | 140 | 154.8 Ų | 154.8 | 86% | 0.859 | 84% | 0.844 | S | S | * | * | cis | -150.2 | 156.5 | 0.7 | -20.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 3 | I | 41.4 | Very low | 39.5 | Very low | 159 Ų | 159 | 149.8 Ų | 149.8 | 82% | 0.815 | 83% | 0.828 | S | S | * | * | trans | -110.1 | 126.8 | -175 | -62.3 | 166.3 | 0 | 0 | 0 | 109.9 | ||||
| 4 | L | 39.3 | Very low | 39.5 | Very low | 171 Ų | 171 | 151.9 Ų | 151.9 | 90% | 0.895 | 84% | 0.836 | S | S | * | * | trans | -174.8 | 144 | 146 | -126.7 | 66.1 | 0 | 0 | 0 | 108.7 | ||||
| 5 | G | 38.5 | Very low | 39.4 | Very low | 62 Ų | 62 | 153.1 Ų | 153.1 | 64% | 0.639 | 84% | 0.84 | S | S | * | * | cis | 141 | 81.3 | -11.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 6 | T | 41.9 | Very low | 39.1 | Very low | 147 Ų | 147 | 154.4 Ų | 154.4 | 90% | 0.902 | 84% | 0.838 | S | S | * | * | trans | -147.1 | 144.5 | 171.6 | -3.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 7 | T | 40.3 | Very low | 38.9 | Very low | 128 Ų | 128 | 153.5 Ų | 153.5 | 79% | 0.785 | 84% | 0.838 | S | S | * | * | trans | -88 | 134 | -172.3 | 41 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 8 | F | 44 | Very low | 38.7 | Very low | 207 Ų | 207 | 152.2 Ų | 152.2 | 91% | 0.908 | 84% | 0.835 | S | S | * | * | 76.1 | 125.5 | 80.5 | -122.1 | -76 | 0 | 0 | 0 | 114.1 | |||||
| 9 | G | 35.9 | Very low | 38.6 | Very low | 71 Ų | 71 | 150.1 Ų | 150.1 | 73% | 0.732 | 83% | 0.833 | S | S | * | * | trans | 176.3 | 50.8 | -176 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 10 | M | 41.5 | Very low | 38.3 | Very low | 152 Ų | 152 | 146.7 Ų | 146.7 | 75% | 0.749 | 83% | 0.833 | S | S | * | * | trans | -103.4 | 116.2 | 172.7 | -78.9 | -68.4 | -70 | 0 | 0 | 110.3 | F12 | M10-F12 HydrophobicContact CE-CD2 4.4Å; M10-F12 HydrophobicContact CE-CE2 3.9Å | ||
| 11 | F | 37.1 | Very low | 38.4 | Very low | 197 Ų | 197 | 148.9 Ų | 148.9 | 86% | 0.864 | 84% | 0.837 | S | S | * | * | trans | -99.5 | 110.5 | 172.7 | -108 | -92.8 | 0 | 0 | 0 | 110.5 | ||||
| 12 | F | 45.2 | Very low | 38.5 | Very low | 184 Ų | 184 | 143.3 Ų | 143.3 | 81% | 0.807 | 82% | 0.821 | S | S | * | * | trans | -108.2 | 137.4 | 155 | -88.3 | -84.8 | 0 | 0 | 0 | 107.9 | M10 | M10-F12 HydrophobicContact CE-CD2 4.4Å; M10-F12 HydrophobicContact CE-CE2 3.9Å | ||
| 13 | S | 37.8 | Very low | 38.3 | Very low | 91 Ų | 91 | 140.5 Ų | 140.5 | 64% | 0.636 | 82% | 0.82 | S | S | * | * | trans | -147 | 96.2 | 173.3 | -67.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 14 | L | 40.4 | Very low | 37.9 | Very low | 178 Ų | 178 | 143.5 Ų | 143.5 | 93% | 0.932 | 82% | 0.823 | S | S | * | * | trans | -65.1 | 126.8 | 159.6 | -72.5 | 157.1 | 0 | 0 | 0 | 107.5 | ||||
| 15 | L | 36.9 | Very low | 37.7 | Very low | 171 Ų | 171 | 138.5 Ų | 138.5 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | trans | -110.7 | 137 | 162.8 | -84.2 | 171 | 0 | 0 | 0 | 109.2 | ||||
| 16 | Q | 34.5 | Very low | 37.6 | Very low | 174 Ų | 174 | 144.8 Ų | 144.8 | 81% | 0.813 | 82% | 0.819 | S | S | * | * | trans | -87.9 | 152.5 | -172.2 | -66.9 | 177.2 | -36.4 | 0 | 0 | 111.2 | V18 | Q16-V18 PolarHBondContact O-N 3Š| ||
| 17 | V | 36.9 | Very low | 37.6 | Very low | 139 Ų | 139 | 145.5 Ų | 145.5 | 84% | 0.842 | 82% | 0.817 | S | S | * | * | trans | -63.8 | 125.8 | 165.1 | 176.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 18 | V | 34.5 | Very low | 37.5 | Very low | 129 Ų | 129 | 143 Ų | 143 | 78% | 0.782 | 82% | 0.817 | S | S | * | * | trans | -133.3 | 109.8 | 164.3 | -178.1 | 0 | 0 | 0 | 0 | 107.7 | Q16 | Q16-V18 PolarHBondContact O-N 3Š| ||
| 19 | S | 38.2 | Very low | 37.3 | Very low | 113 Ų | 113 | 140.8 Ų | 140.8 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | trans | -72.8 | 130 | 170.7 | -56.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 20 | G | 32.3 | Very low | 37.9 | Very low | 82 Ų | 82 | 144.5 Ų | 144.5 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | trans | -102.8 | 130.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 21 | E | 39.4 | Very low | 38.3 | Very low | 192 Ų | 192 | 146 Ų | 146 | 90% | 0.897 | 82% | 0.822 | S | S | * | * | trans | -110.5 | 157.6 | -178.9 | -172.1 | 179.2 | 175.6 | 0 | 0 | 111.2 | ||||
| 22 | S | 36.8 | Very low | 38.8 | Very low | 123 Ų | 123 | 144.9 Ų | 144.9 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | trans | 85.6 | 122.6 | 162.4 | -160.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 23 | G | 31.6 | Very low | 39.1 | Very low | 81 Ų | 81 | 140.2 Ų | 140.2 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | trans | -171.6 | 103.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 24 | Y | 32.8 | Very low | 39.9 | Very low | 222 Ų | 222 | 144.5 Ų | 144.5 | 87% | 0.871 | 83% | 0.83 | S | S | * | * | trans | -108.3 | 123.2 | -166.6 | 177.4 | -99.2 | 0 | 0 | 0 | 113.3 | ||||
| 25 | A | 35.4 | Very low | 40.7 | Very low | 66 Ų | 66 | 144 Ų | 144 | 55% | 0.545 | 83% | 0.828 | S | S | . | * | trans | 58.2 | 130.1 | 158.7 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 26 | Q | 36.8 | Very low | 41.8 | Very low | 193 Ų | 193 | 140.6 Ų | 140.6 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | -158 | 164.7 | 95.3 | -105.4 | 177.6 | 4.4 | 0 | 0 | 113.2 | |||||
| 27 | N | 40.7 | Very low | 43.8 | Very low | 163 Ų | 163 | 137.8 Ų | 137.8 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | trans | -69.8 | 136.4 | -161.7 | -50.9 | -41.6 | 0 | 0 | 0 | 114.8 | ||||
| 28 | G | 39.6 | Very low | 46.1 | Very low | 75 Ų | 75 | 133.5 Ų | 133.5 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | 91.2 | 105.3 | 121.1 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 29 | D | 38.9 | Very low | 48.9 | Very low | 161 Ų | 161 | 128.1 Ų | 128.1 | 86% | 0.861 | 74% | 0.738 | S | S | * | * | -134.6 | 175.7 | 118.3 | -146.3 | -23.6 | 0 | 0 | 0 | 109.1 | |||||
| 30 | L | 49.3 | Very low | 51.6 | Low | 149 Ų | 149 | 122.8 Ų | 122.8 | 78% | 0.78 | 70% | 0.7 | S | S | * | * | trans | -94.1 | 168.4 | 179.9 | -88.7 | 87.6 | 0 | 0 | 0 | 113.4 | ||||
| 31 | E | 48.7 | Very low | 54.6 | Low | 182 Ų | 182 | 121.9 Ų | 121.9 | 85% | 0.85 | 68% | 0.681 | S | S | * | * | trans | 77.9 | 26.6 | 162.7 | -69.6 | 179.4 | -159.4 | 0 | 0 | 119.1 | A33 | E31-A33 PolarHBondContact O-N 3.27Š| ||
| 32 | D | 48.7 | Very low | 57.4 | Low | 175 Ų | 175 | 113.1 Ų | 113.1 | 94% | 0.936 | 64% | 0.641 | S | S | * | * | trans | -77.1 | 58.9 | 150.3 | -76 | -31.9 | 0 | 0 | 0 | 110.9 | ||||
| 33 | A | 51.1 | Low | 60.3 | Low | 85 Ų | 85 | 110.3 Ų | 110.3 | 70% | 0.702 | 61% | 0.612 | S | S | * | * | trans | -80.7 | 111.7 | 157.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | E31 L35 | E31-A33 PolarHBondContact O-N 3.27Å; A33-L35 PolarHBondContact O-N 2.9Å; A33-L35 VanDerWaalsContact O-N 3.08Å | ||
| 34 | E | 54.4 | Low | 63.5 | Low | 182 Ų | 182 | 106.4 Ų | 106.4 | 85% | 0.85 | 57% | 0.572 | S | S | * | * | trans | -51.5 | 120.6 | 174.1 | -65.6 | -175.7 | 152.9 | 0 | 0 | 108.4 | D36 | E34-D36 PolarHBondContact O-N 3.08Š| ||
| 35 | L | 57.4 | Low | 66.5 | Low | 167 Ų | 167 | 97.5 Ų | 97.5 | 87% | 0.874 | 54% | 0.539 | S | S | * | . | trans | -70.3 | 96.2 | 179.9 | -175.5 | 83.3 | 0 | 0 | 0 | 107 | A33 D37 | A33-L35 PolarHBondContact O-N 2.9Å; A33-L35 VanDerWaalsContact O-N 3.08Å; L35-D37 PolarHBondContact O-N 3.4Å | ||
| 36 | D | 60.7 | Low | 69.4 | Low | 100 Ų | 100 | 94.5 Ų | 94.5 | 54% | 0.535 | 51% | 0.513 | S | S | . | . | trans | -47 | 131.4 | -173.4 | -30.3 | -83.3 | 0 | 0 | 0 | 109.5 | E34 Y38 | E34-D36 PolarHBondContact O-N 3.08Å; D36-Y38 VanDerWaalsContact C-N 3.27Å; D36-Y38 HydrophobicContact CB-CD2 4.2Å; D36-Y38 HydrophobicContact CB-CE2 3.56Å; D36-Y38 WeakPolarHBondContact O-CD2 3.11Å; D36-Y38 WeakPolarHBondContact O-CE2 3.49Å; D36-Y38 PolarHBondContact O-N 2.88Å; D36-Y38 VanDerWaalsContact OD2-CE2 3.26Å; D36-Y38 WeakPolarHBondContact OD2-CE2 3.39Å; D36-Y38 VanDerWaalsContact OD2-CZ 3.26Å; D36-Y38 PolarHBondContact OD2-OH 3.04Å | ||
| 37 | D | 74.9 | Confident | 72.2 | Confident | 114 Ų | 114 | 86.7 Ų | 86.7 | 61% | 0.61 | 48% | 0.477 | S | S | * | . | trans | -76.4 | 82.8 | -173.8 | -172.7 | 32.3 | 0 | 0 | 0 | 110.8 | L35 S39 | L35-D37 PolarHBondContact O-N 3.4Å; D37-S39 PolarHBondContact O-N 2.82Å; D37-S39 PolarHBondContact O-OG 3.01Å; D37-S39 WeakPolarHBondContact OD1-CB 3.4Å; D37-S39 PolarHBondContact OD1-N 2.04Å; D37-S39 VanDerWaalsContact OD2-CB 3.22Å; D37-S39 WeakPolarHBondContact OD2-CB 3.08Å; D37-S39 PolarHBondContact OD2-OG 2.57Å | ||
| 38 | Y | 86.2 | Confident | 74.7 | Confident | 49 Ų | 49 | 81.6 Ų | 81.6 | 19% | 0.192 | 45% | 0.451 | C | S | . | . | trans | -68 | 31.9 | 171.1 | -62.4 | -75.3 | 0 | 0 | 0 | 112.4 | D36 F59 V64 L69 L116 T117 | D36-Y38 VanDerWaalsContact C-N 3.27Å; D36-Y38 HydrophobicContact CB-CD2 4.2Å; D36-Y38 HydrophobicContact CB-CE2 3.56Å; D36-Y38 WeakPolarHBondContact O-CD2 3.11Å; D36-Y38 WeakPolarHBondContact O-CE2 3.49Å; D36-Y38 PolarHBondContact O-N 2.88Å; D36-Y38 VanDerWaalsContact OD2-CE2 3.26Å; D36-Y38 WeakPolarHBondContact OD2-CE2 3.39Å; D36-Y38 VanDerWaalsContact OD2-CZ 3.26Å; D36-Y38 PolarHBondContact OD2-OH 3.04Å; Y38-F59 HydrophobicContact CD1-CE1 4.14Å; Y38-V64 HydrophobicContact CD1-CG1 3.98Å; Y38-V64 HydrophobicContact CE1-CG1 3.98Å; Y38-L69 HydrophobicContact CD1-CD1 3.82Å; Y38-L69 HydrophobicContact CE1-CD1 3.73Å; Y38-L69 HydrophobicContact CE1-CD2 4.04Å; Y38-L116 HydrophobicContact CD1-CD1 4.12Å; Y38-L116 HydrophobicContact CD2-CD1 3.82Å; Y38-L116 HydrophobicContact CE1-CD1 4.05Å; Y38-L116 HydrophobicContact CE2-CD1 3.78Å; Y38-L116 HydrophobicContact CG-CD1 4.02Å; Y38-T117 WeakPolarHBondContact O-CG2 3.43Å | ||
| 39 | S | 92.4 | Very high | 77.1 | Confident | 16 Ų | 16 | 82.4 Ų | 82.4 | 11% | 0.112 | 44% | 0.438 | C | S | . | . | trans | -60.9 | 136.9 | 173.5 | 56.3 | 0 | 0 | 0 | 0 | 110.1 | D37 F59 E60 | D37-S39 PolarHBondContact O-N 2.82Å; D37-S39 PolarHBondContact O-OG 3.01Å; D37-S39 WeakPolarHBondContact OD1-CB 3.4Å; D37-S39 PolarHBondContact OD1-N 2.04Å; D37-S39 VanDerWaalsContact OD2-CB 3.22Å; D37-S39 WeakPolarHBondContact OD2-CB 3.08Å; D37-S39 PolarHBondContact OD2-OG 2.57Å; S39-F59 CarbonylContact O-C 3.45Å; S39-F59 WeakPolarHBondContact O-CA 3.36Å; S39-F59 WeakPolarHBondContact O-CD1 3.38Å; S39-E60 PolarHBondContact O-N 3.35Å | ||
| 40 | F | 94.9 | Very high | 79.5 | Confident | 1 Ų | 1 | 77.6 Ų | 77.6 | 0% | 0.004 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 140.6 | -174.6 | 69.7 | -96 | 0 | 0 | 0 | 112.6 | C42 A58 F59 E60 F71 I107 V109 T117 K119 | F40-C42 VanDerWaalsContact CD2-SG 3.6Å; F40-A58 CarbonylContact C-O 3.56Å; F40-A58 VanDerWaalsContact CA-O 3.23Å; F40-A58 WeakPolarHBondContact CA-O 3.21Å; F40-A58 WeakPolarHBondContact CB-O 3.08Å; F40-F59 HydrophobicContact CB-CD1 4.27Å; F40-E60 WeakPolarHBondContact CA-OE1 3.33Å; F40-E60 PolarHBondContact N-OE1 3.11Å; F40-E60 VanDerWaalsContact O-OE1 3.09Å; F40-F71 HydrophobicContact CB-CE1 4.16Å; F40-F71 HydrophobicContact CB-CZ 3.79Å; F40-F71 HydrophobicContact CD1-CE1 4.19Å; F40-F71 HydrophobicContact CD1-CZ 4.28Å; F40-F71 AromaticContact CD2-CE1 3.6Å; F40-F71 HydrophobicContact CD2-CE1 3.6Å; F40-F71 HydrophobicContact CD2-CZ 4.14Å; F40-F71 HydrophobicContact CE1-CE1 4.48Å; F40-F71 AromaticContact CE2-CE1 3.94Å; F40-F71 HydrophobicContact CE2-CE1 3.94Å; F40-F71 AromaticContact CG-CE1 3.73Å; F40-F71 HydrophobicContact CG-CE1 3.73Å; F40-F71 AromaticContact CG-CZ 3.83Å; F40-F71 HydrophobicContact CG-CZ 3.83Å; F40-F71 HydrophobicContact CZ-CE1 4.36Å; F40-I107 HydrophobicContact CE2-CB 4.25Å; F40-I107 HydrophobicContact CE2-CG2 3.87Å; F40-I107 HydrophobicContact CZ-CB 4.29Å; F40-I107 HydrophobicContact CZ-CG2 4.07Å; F40-V109 HydrophobicContact CD1-CG2 3.67Å; F40-V109 HydrophobicContact CE1-CG2 3.87Å; F40-V109 HydrophobicContact CG-CG2 4.46Å; F40-T117 HydrophobicContact CD1-CG2 4.22Å; F40-T117 HydrophobicContact CE1-CG2 4.09Å; F40-K119 HydrophobicContact CD1-CD 4.43Å; F40-K119 HydrophobicContact CD2-CD 4.32Å; F40-K119 HydrophobicContact CE1-CB 4.41Å; F40-K119 HydrophobicContact CE1-CD 4.11Å; F40-K119 HydrophobicContact CE1-CG 3.86Å; F40-K119 HydrophobicContact CE2-CB 4.11Å; F40-K119 HydrophobicContact CE2-CD 4Å; F40-K119 HydrophobicContact CE2-CG 4.15Å; F40-K119 HydrophobicContact CZ-CB 3.67Å; F40-K119 HydrophobicContact CZ-CD 3.9Å; F40-K119 HydrophobicContact CZ-CG 3.6Å; F40-K119 WeakPolarHBondContact O-CE 3.43Å; F40-K119 PolarHBondContact O-NZ 3.39Å |
| 41 | S | 96.3 | Very high | 81.5 | Confident | 63 Ų | 63 | 73.6 Ų | 73.6 | 44% | 0.441 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 154.4 | 171.6 | 71.3 | 0 | 0 | 0 | 0 | 110.6 | C57 A58 | S41-C57 CarbonylContact O-C 3.43Å; S41-C57 VanDerWaalsContact O-CA 3.23Å; S41-C57 WeakPolarHBondContact O-CA 3.39Å; S41-A58 PolarHBondContact N-O 2.89Å; S41-A58 PolarHBondContact O-N 3.04Å |
| 42 | C | 97.7 | Very high | 83.7 | Confident | 8 Ų | 8 | 67.6 Ų | 67.6 | 5% | 0.054 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 148.2 | 175.3 | -58.7 | 0 | 0 | 0 | 0 | 111.1 | F40 L55 T56 C57 I107 I126 F216 | F40-C42 VanDerWaalsContact CD2-SG 3.6Å; C42-L55 HydrophobicContact CB-CD1 4.18Å; C42-T56 CarbonylContact C-O 3.54Å; C42-T56 WeakPolarHBondContact CA-O 3.17Å; C42-T56 WeakPolarHBondContact CB-O 3.22Å; C42-C57 HydrophobicContact CB-CB 4.1Å; C42-C57 WeakPolarHBondContact CB-SG 3.42Å; C42-C57 WeakPolarHBondContact SG-CB 3.09Å; C42-C57 CovalentContact SG-SG 2.04Å; C42-C57 PolarHBondContact SG-SG 2.88Å; C42-I107 HydrophobicContact CB-CD1 4.48Å; C42-I126 HydrophobicContact CB-CD1 4.1Å; C42-F216 WeakPolarHBondContact O-CE2 3.32Å |
| 43 | Y | 97.9 | Very high | 86 | Confident | 64 Ų | 64 | 59.8 Ų | 59.8 | 25% | 0.251 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 145.5 | 168 | 66.1 | -94.7 | 0 | 0 | 0 | 111.7 | Q45 L55 T56 I126 K128 | Y43-Q45 HydrophobicContact CD2-CG 3.93Å; Y43-Q45 HydrophobicContact CE2-CG 3.94Å; Y43-L55 WeakPolarHBondContact O-CD1 3.26Å; Y43-T56 HydrophobicContact CE1-CG2 4.01Å; Y43-T56 PolarHBondContact N-O 2.87Å; Y43-T56 PolarHBondContact O-N 2.97Å; Y43-I126 CarbonylContact C-O 3.53Å; Y43-I126 VanDerWaalsContact CA-O 3.26Å; Y43-I126 WeakPolarHBondContact CA-O 3.4Å; Y43-K128 HydrophobicContact CD1-CD 4.2Å; Y43-K128 HydrophobicContact CD2-CB 3.66Å; Y43-K128 HydrophobicContact CD2-CD 3.77Å; Y43-K128 HydrophobicContact CD2-CG 4.3Å; Y43-K128 HydrophobicContact CE1-CD 4.4Å; Y43-K128 HydrophobicContact CE2-CB 4.48Å; Y43-K128 HydrophobicContact CE2-CD 4Å; Y43-K128 HydrophobicContact CG-CB 3.99Å; Y43-K128 HydrophobicContact CG-CD 3.88Å |
| 44 | S | 97.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 150.9 | 174.8 | 65.3 | 0 | 0 | 0 | 0 | 110.8 | S54 L123 I126 V127 K128 | S44-S54 WeakPolarHBondContact CA-O 2.98Å; S44-L123 PolarHBondContact OG-O 2.67Å; S44-I126 PolarHBondContact N-O 3.3Å; S44-V127 CarbonylContact O-C 3.53Å; S44-V127 WeakPolarHBondContact O-CA 3.17Å; S44-V127 WeakPolarHBondContact OG-CA 3.16Å; S44-V127 WeakPolarHBondContact OG-CG2 3.48Å; S44-K128 PolarHBondContact O-N 2.98Å |
| 45 | Q | 97.4 | Very high | 90.3 | Very high | 35 Ų | 35 | 47.1 Ų | 47.1 | 16% | 0.164 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 129.1 | 168.1 | -41.2 | -173.1 | -92.4 | 0 | 0 | 109 | Y43 V48 H53 S54 K128 | Y43-Q45 HydrophobicContact CD2-CG 3.93Å; Y43-Q45 HydrophobicContact CE2-CG 3.94Å; Q45-V48 HydrophobicContact CB-CB 4.49Å; Q45-H53 CarbonylContact O-C 3.53Å; Q45-H53 WeakPolarHBondContact O-CA 3.22Å; Q45-S54 WeakPolarHBondContact CB-OG 3.27Å; Q45-S54 PolarHBondContact N-O 2.65Å; Q45-S54 PolarHBondContact O-N 2.93Å; Q45-K128 WeakPolarHBondContact CG-O 3.34Å; Q45-K128 PolarHBondContact NE2-O 2.93Å |
| 46 | L | 96 | Very high | 92.2 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 136.3 | -172.4 | -52.9 | -171.4 | 0 | 0 | 0 | 110.6 | V48 H53 L101 V127 K157 V160 F213 | L46-V48 VanDerWaalsContact C-N 3.26Å; L46-V48 PolarHBondContact O-N 3.14Å; L46-H53 WeakPolarHBondContact CA-ND1 3.33Å; L46-H53 HydrophobicContact CD2-CB 4.1Å; L46-H53 WeakPolarHBondContact CD2-ND1 3.45Å; L46-L101 HydrophobicContact CD1-CD1 4.05Å; L46-L101 HydrophobicContact CD1-CD2 4.42Å; L46-L101 HydrophobicContact CD2-CD1 4.28Å; L46-L101 HydrophobicContact CD2-CD2 3.75Å; L46-V127 HydrophobicContact CD1-CG2 4.31Å; L46-V127 HydrophobicContact CG-CG2 4.45Å; L46-K157 PolarHBondContact O-NZ 3.48Å; L46-V160 HydrophobicContact CB-CG2 3.96Å; L46-V160 HydrophobicContact CD1-CG2 3.69Å; L46-V160 HydrophobicContact CG-CG2 4.05Å; L46-F213 HydrophobicContact CD1-CD1 4.12Å; L46-F213 HydrophobicContact CD1-CE1 3.67Å; L46-F213 HydrophobicContact CD1-CZ 4.26Å |
| 47 | E | 95.4 | Very high | 93.9 | Very high | 29 Ų | 29 | 34.7 Ų | 34.7 | 14% | 0.136 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 58.3 | 36.5 | 178 | -62.3 | 172.6 | 104.3 | 0 | 0 | 113.1 | N49 G50 Q52 H53 K157 K158 Y159 | E47-N49 VanDerWaalsContact C-N 3.29Å; E47-N49 PolarHBondContact O-N 2.89Å; E47-G50 WeakPolarHBondContact CA-O 3.36Å; E47-G50 VanDerWaalsContact CB-O 3.26Å; E47-G50 WeakPolarHBondContact CB-O 3.38Å; E47-Q52 CarbonylContact C-O 3.48Å; E47-Q52 WeakPolarHBondContact CA-O 3.19Å; E47-Q52 PolarHBondContact N-O 2.74Å; E47-H53 PolarHBondContact N-ND1 2.04Å; E47-K157 VanDerWaalsContact C-NZ 3.26Å; E47-K157 HydrophobicContact CB-CB 4.47Å; E47-K157 HydrophobicContact CB-CD 4.32Å; E47-K157 HydrophobicContact CB-CG 4.09Å; E47-K157 PolarHBondContact O-NZ 3.14Å; E47-K158 VanDerWaalsContact CD-N 3.27Å; E47-K158 WeakPolarHBondContact OE1-CB 3.27Å; E47-K158 PolarHBondContact OE1-N 2.65Å; E47-K158 WeakPolarHBondContact OE2-CA 3.16Å; E47-K158 PolarHBondContact OE2-N 2.97Å; E47-Y159 HydrophobicContact CG-CD2 3.91Å; E47-Y159 HydrophobicContact CG-CE2 4.31Å; E47-Y159 WeakPolarHBondContact OE2-CD2 3.29Å; E47-Y159 PolarHBondContact OE2-N 3.41Å |
| 48 | V | 92.3 | Very high | 94.9 | Very high | 56 Ų | 56 | 30.5 Ų | 30.5 | 34% | 0.339 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | -29.9 | -178.6 | 68.8 | 0 | 0 | 0 | 0 | 112.2 | Q45 L46 Q52 E130 | Q45-V48 HydrophobicContact CB-CB 4.49Å; L46-V48 VanDerWaalsContact C-N 3.26Å; L46-V48 PolarHBondContact O-N 3.14Å; V48-Q52 PolarHBondContact N-O 2.81Å; V48-E130 WeakPolarHBondContact CA-OE1 3.35Å |
| 49 | N | 90.7 | Very high | 95.3 | Very high | 92 Ų | 92 | 29.1 Ų | 29.1 | 49% | 0.492 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 80.2 | 178 | -175.2 | 4.8 | 0 | 0 | 0 | 109 | E47 S51 Q52 E95 | E47-N49 VanDerWaalsContact C-N 3.29Å; E47-N49 PolarHBondContact O-N 2.89Å; N49-S51 PolarHBondContact O-N 2.67Å; N49-Q52 HydrophobicContact CB-CB 4.26Å; N49-Q52 PolarHBondContact ND2-NE2 3.2Å; N49-Q52 PolarHBondContact O-N 2.7Å; N49-E95 WeakPolarHBondContact CB-OE1 3.48Å; N49-E95 PolarHBondContact ND2-OE1 3.48Å |
| 50 | G | 90 | Very high | 95.4 | Very high | 61 Ų | 61 | 33.4 Ų | 33.4 | 63% | 0.629 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | -103.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E47 | E47-G50 WeakPolarHBondContact CA-O 3.36Å; E47-G50 VanDerWaalsContact CB-O 3.26Å; E47-G50 WeakPolarHBondContact CB-O 3.38Å |
| 51 | S | 91.3 | Very high | 95.1 | Very high | 64 Ų | 64 | 36.9 Ų | 36.9 | 45% | 0.448 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 12 | 178.5 | 36.9 | 0 | 0 | 0 | 0 | 114.1 | N49 K97 | N49-S51 PolarHBondContact O-N 2.67Å; S51-K97 WeakPolarHBondContact O-CG 3.4Å; S51-K97 WeakPolarHBondContact OG-CE 3.33Å; S51-K97 PolarHBondContact OG-NZ 3.47Å |
| 52 | Q | 94.5 | Very high | 94.7 | Very high | 57 Ų | 57 | 39.1 Ų | 39.1 | 27% | 0.266 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 143.6 | 170.1 | -50.9 | -158.8 | 79.5 | 0 | 0 | 111.2 | E47 V48 N49 E95 K97 | E47-Q52 CarbonylContact C-O 3.48Å; E47-Q52 WeakPolarHBondContact CA-O 3.19Å; E47-Q52 PolarHBondContact N-O 2.74Å; V48-Q52 PolarHBondContact N-O 2.81Å; N49-Q52 HydrophobicContact CB-CB 4.26Å; N49-Q52 PolarHBondContact ND2-NE2 3.2Å; N49-Q52 PolarHBondContact O-N 2.7Å; Q52-E95 HydrophobicContact CB-CG 3.87Å; Q52-E95 PolarHBondContact NE2-OE1 2.84Å; Q52-K97 HydrophobicContact CB-CG 4.47Å; Q52-K97 HydrophobicContact CG-CD 4.41Å; Q52-K97 HydrophobicContact CG-CG 3.88Å |
| 53 | H | 96.7 | Very high | 94.1 | Very high | 11 Ų | 11 | 46 Ų | 46 | 5% | 0.051 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 146.1 | 173 | -51.8 | -81.2 | 0 | 0 | 0 | 108.5 | Q45 L46 E47 E95 T96 F99 Y159 | Q45-H53 CarbonylContact O-C 3.53Å; Q45-H53 WeakPolarHBondContact O-CA 3.22Å; L46-H53 WeakPolarHBondContact CA-ND1 3.33Å; L46-H53 HydrophobicContact CD2-CB 4.1Å; L46-H53 WeakPolarHBondContact CD2-ND1 3.45Å; E47-H53 PolarHBondContact N-ND1 2.04Å; H53-E95 CarbonylContact O-C 3.56Å; H53-E95 WeakPolarHBondContact O-CA 3.26Å; H53-T96 PolarHBondContact N-O 3.12Å; H53-T96 PolarHBondContact O-N 2.61Å; H53-F99 HydrophobicContact CB-CD2 3.64Å; H53-F99 HydrophobicContact CB-CE2 4.1Å; H53-Y159 AromaticContact CE1-CD2 3.81Å; H53-Y159 AromaticContact CE1-CE2 3.65Å |
| 54 | S | 97.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.007 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 157.8 | 169.9 | 60.9 | 0 | 0 | 0 | 0 | 112.2 | S44 Q45 I94 | S44-S54 WeakPolarHBondContact CA-O 2.98Å; Q45-S54 WeakPolarHBondContact CB-OG 3.27Å; Q45-S54 PolarHBondContact N-O 2.65Å; Q45-S54 PolarHBondContact O-N 2.93Å; S54-I94 CarbonylContact C-O 3.58Å; S54-I94 VanDerWaalsContact CA-O 3.22Å; S54-I94 WeakPolarHBondContact CA-O 3.26Å |
| 55 | L | 97.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 123.5 | 168.2 | 174.9 | 63.2 | 0 | 0 | 0 | 107.6 | C42 Y43 I73 F85 I94 F99 I107 L123 I126 | C42-L55 HydrophobicContact CB-CD1 4.18Å; Y43-L55 WeakPolarHBondContact O-CD1 3.26Å; L55-I73 HydrophobicContact CD2-CD1 3.48Å; L55-I73 VanDerWaalsContact CD2-CD1 3.48Å; L55-F85 HydrophobicContact CB-CE1 4.46Å; L55-F85 HydrophobicContact CD2-CE1 4.1Å; L55-F85 HydrophobicContact CD2-CZ 3.63Å; L55-F85 HydrophobicContact CG-CE1 3.9Å; L55-F85 HydrophobicContact CG-CZ 3.94Å; L55-I94 HydrophobicContact CB-CG2 3.82Å; L55-I94 HydrophobicContact CD2-CG2 4.49Å; L55-I94 HydrophobicContact CG-CG2 4.48Å; L55-I94 PolarHBondContact N-O 2.74Å; L55-I94 PolarHBondContact O-N 3.12Å; L55-F99 HydrophobicContact CB-CE2 3.85Å; L55-F99 HydrophobicContact CB-CZ 3.68Å; L55-F99 HydrophobicContact CD2-CZ 4.08Å; L55-I107 HydrophobicContact CD2-CD1 3.9Å; L55-L123 HydrophobicContact CD1-CD2 4.09Å; L55-L123 HydrophobicContact CD2-CD2 3.83Å; L55-I126 HydrophobicContact CD1-CD1 3.66Å |
| 56 | T | 97.8 | Very high | 92.3 | Very high | 4 Ų | 4 | 48.3 Ų | 48.3 | 3% | 0.025 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 135.5 | 178.9 | -50 | 0 | 0 | 0 | 0 | 108.5 | C42 Y43 I91 Y92 | C42-T56 CarbonylContact C-O 3.54Å; C42-T56 WeakPolarHBondContact CA-O 3.17Å; C42-T56 WeakPolarHBondContact CB-O 3.22Å; Y43-T56 HydrophobicContact CE1-CG2 4.01Å; Y43-T56 PolarHBondContact N-O 2.87Å; Y43-T56 PolarHBondContact O-N 2.97Å; T56-I91 HydrophobicContact CG2-CB 4.24Å; T56-I91 HydrophobicContact CG2-CD1 4.21Å; T56-Y92 CarbonylContact C-O 3.58Å; T56-Y92 WeakPolarHBondContact CA-O 3.37Å |
| 57 | C | 97.1 | Very high | 91.8 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.007 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 150.2 | 172.4 | -61.4 | 0 | 0 | 0 | 0 | 110.4 | S41 C42 F71 F85 Y92 | S41-C57 CarbonylContact O-C 3.43Å; S41-C57 VanDerWaalsContact O-CA 3.23Å; S41-C57 WeakPolarHBondContact O-CA 3.39Å; C42-C57 HydrophobicContact CB-CB 4.1Å; C42-C57 WeakPolarHBondContact CB-SG 3.42Å; C42-C57 WeakPolarHBondContact SG-CB 3.09Å; C42-C57 CovalentContact SG-SG 2.04Å; C42-C57 PolarHBondContact SG-SG 2.88Å; C57-F71 HydrophobicContact CB-CD1 3.92Å; C57-F71 HydrophobicContact CB-CE1 3.63Å; C57-F71 HydrophobicContact CB-CZ 4.2Å; C57-F85 HydrophobicContact CB-CE1 4.35Å; C57-Y92 PolarHBondContact N-O 2.89Å; C57-Y92 PolarHBondContact O-N 2.98Å |
| 58 | A | 95.8 | Very high | 91.4 | Very high | 26 Ų | 26 | 57.1 Ų | 57.1 | 22% | 0.215 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 153.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | F40 S41 I91 | F40-A58 CarbonylContact C-O 3.56Å; F40-A58 VanDerWaalsContact CA-O 3.23Å; F40-A58 WeakPolarHBondContact CA-O 3.21Å; F40-A58 WeakPolarHBondContact CB-O 3.08Å; S41-A58 PolarHBondContact N-O 2.89Å; S41-A58 PolarHBondContact O-N 3.04Å; A58-I91 HydrophobicContact CB-CG2 4.28Å |
| 59 | F | 94.9 | Very high | 91.4 | Very high | 20 Ų | 20 | 55 Ų | 55 | 9% | 0.088 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 151.8 | 170.7 | -67.4 | -76.1 | 0 | 0 | 0 | 110.6 | Y38 S39 F40 D61 V64 T66 L69 F71 Y92 V109 | Y38-F59 HydrophobicContact CD1-CE1 4.14Å; S39-F59 CarbonylContact O-C 3.45Å; S39-F59 WeakPolarHBondContact O-CA 3.36Å; S39-F59 WeakPolarHBondContact O-CD1 3.38Å; F40-F59 HydrophobicContact CB-CD1 4.27Å; F59-D61 WeakPolarHBondContact CB-O 3.05Å; F59-V64 HydrophobicContact CD1-CG1 4.38Å; F59-V64 HydrophobicContact CD2-CG1 4.39Å; F59-V64 HydrophobicContact CG-CB 4.45Å; F59-V64 HydrophobicContact CG-CG1 4.29Å; F59-T66 HydrophobicContact CD2-CG2 3.72Å; F59-T66 HydrophobicContact CE2-CG2 3.82Å; F59-L69 HydrophobicContact CE1-CD1 4.15Å; F59-L69 HydrophobicContact CE2-CB 4.45Å; F59-L69 HydrophobicContact CE2-CD1 3.67Å; F59-L69 HydrophobicContact CZ-CB 4.22Å; F59-L69 HydrophobicContact CZ-CD1 3.37Å; F59-L69 HydrophobicContact CZ-CG 4.43Å; F59-F71 HydrophobicContact CE1-CE2 4.22Å; F59-F71 HydrophobicContact CE1-CZ 4.28Å; F59-F71 AromaticContact CE2-CE2 3.8Å; F59-F71 HydrophobicContact CE2-CE2 3.8Å; F59-F71 HydrophobicContact CE2-CZ 4.46Å; F59-F71 AromaticContact CZ-CE2 3.57Å; F59-F71 HydrophobicContact CZ-CE2 3.57Å; F59-F71 HydrophobicContact CZ-CZ 4.08Å; F59-Y92 HydrophobicContact CD2-CE2 4.39Å; F59-Y92 AromaticContact CE2-CE2 3.8Å; F59-Y92 HydrophobicContact CE2-CE2 3.8Å; F59-V109 HydrophobicContact CE1-CG1 4.22Å; F59-V109 HydrophobicContact CE1-CG2 3.96Å; F59-V109 HydrophobicContact CZ-CG1 3.95Å; F59-V109 HydrophobicContact CZ-CG2 4.19Å |
| 60 | E | 92.9 | Very high | 91.5 | Very high | 107 Ų | 107 | 56.2 Ų | 56.2 | 50% | 0.5 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -81.2 | -29.4 | 178.5 | -66.4 | 171.1 | -121.5 | 0 | 0 | 110.6 | S39 F40 K119 | S39-E60 PolarHBondContact O-N 3.35Å; F40-E60 WeakPolarHBondContact CA-OE1 3.33Å; F40-E60 PolarHBondContact N-OE1 3.11Å; F40-E60 VanDerWaalsContact O-OE1 3.09Å; E60-K119 IonicContact OE1-NZ 3.06Å; E60-K119 PolarHBondContact OE1-NZ 2.85Å |
| 61 | D | 89.9 | Confident | 91.8 | Very high | 73 Ų | 73 | 53.4 Ų | 53.4 | 39% | 0.39 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -94.3 | 126.1 | 165.1 | -179.1 | -16 | 0 | 0 | 0 | 110.5 | F59 D63 V64 | F59-D61 WeakPolarHBondContact CB-O 3.05Å; D61-D63 PolarHBondContact OD1-N 3.42Å; D61-V64 HydrophobicContact CB-CG2 3.82Å |
| 62 | P | 86.6 | Confident | 92.1 | Very high | 111 Ų | 111 | 52.2 Ų | 52.2 | 72% | 0.721 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -16.3 | 179.6 | 34 | -37.5 | 0 | 0 | 0 | 115.3 | V64 | P62-V64 VanDerWaalsContact C-N 3.35Š|
| 63 | D | 85.6 | Confident | 92.2 | Very high | 151 Ų | 151 | 49.5 Ų | 49.5 | 81% | 0.807 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -2.6 | -175.5 | -70 | -34.1 | 0 | 0 | 0 | 112.7 | D61 N65 | D61-D63 PolarHBondContact OD1-N 3.42Å; D63-N65 PolarHBondContact O-N 2.8Å |
| 64 | V | 85.7 | Confident | 92.2 | Very high | 23 Ų | 23 | 50.4 Ų | 50.4 | 14% | 0.139 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -57.8 | 131.4 | 176.5 | 174.3 | 0 | 0 | 0 | 0 | 111.7 | Y38 F59 D61 P62 T66 L69 | Y38-V64 HydrophobicContact CD1-CG1 3.98Å; Y38-V64 HydrophobicContact CE1-CG1 3.98Å; F59-V64 HydrophobicContact CD1-CG1 4.38Å; F59-V64 HydrophobicContact CD2-CG1 4.39Å; F59-V64 HydrophobicContact CG-CB 4.45Å; F59-V64 HydrophobicContact CG-CG1 4.29Å; D61-V64 HydrophobicContact CB-CG2 3.82Å; P62-V64 VanDerWaalsContact C-N 3.35Å; V64-T66 WeakPolarHBondContact O-CG2 3.39Å; V64-T66 PolarHBondContact O-N 2.62Å; V64-L69 HydrophobicContact CG1-CD1 3.82Å |
| 65 | N | 85.1 | Confident | 92.1 | Very high | 113 Ų | 113 | 51.9 Ų | 51.9 | 60% | 0.604 | 29% | 0.292 | S | S | * | . | trans | -72.4 | 86.3 | 178.7 | -177.4 | 1.3 | 0 | 0 | 0 | 112.7 | D63 T67 | D63-N65 PolarHBondContact O-N 2.8Å; N65-T67 PolarHBondContact O-N 2.63Å; N65-T67 VanDerWaalsContact O-N 3.12Å; N65-T67 WeakPolarHBondContact OD1-CB 3.45Å; N65-T67 WeakPolarHBondContact OD1-CG2 3.13Å; N65-T67 PolarHBondContact OD1-N 2.81Å; N65-T67 PolarHBondContact OD1-OG1 2.78Å | ||
| 66 | T | 85.5 | Confident | 91.9 | Very high | 13 Ų | 13 | 53 Ų | 53 | 8% | 0.08 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -71.4 | 2.7 | -177.6 | 63.2 | 0 | 0 | 0 | 0 | 115.3 | F59 V64 N68 L69 K87 E90 Y92 | F59-T66 HydrophobicContact CD2-CG2 3.72Å; F59-T66 HydrophobicContact CE2-CG2 3.82Å; V64-T66 WeakPolarHBondContact O-CG2 3.39Å; V64-T66 PolarHBondContact O-N 2.62Å; T66-N68 PolarHBondContact O-N 3.13Å; T66-L69 PolarHBondContact O-N 3.32Å; T66-K87 VanDerWaalsContact C-NZ 3.32Å; T66-K87 VanDerWaalsContact CB-NZ 3.27Å; T66-K87 PolarHBondContact O-NZ 2.61Å; T66-K87 PolarHBondContact OG1-NZ 3.5Å; T66-E90 WeakPolarHBondContact CB-OE2 3.4Å; T66-E90 VanDerWaalsContact CG2-OE2 3.28Å; T66-E90 WeakPolarHBondContact CG2-OE2 3.44Å; T66-E90 PolarHBondContact OG1-OE2 2.93Å; T66-Y92 PolarHBondContact O-OH 2.89Å |
| 67 | T | 84.9 | Confident | 91.8 | Very high | 95 Ų | 95 | 53.9 Ų | 53.9 | 58% | 0.583 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -63.1 | -39.6 | -169.5 | 49.7 | 0 | 0 | 0 | 0 | 114.5 | N65 | N65-T67 PolarHBondContact O-N 2.63Å; N65-T67 VanDerWaalsContact O-N 3.12Å; N65-T67 WeakPolarHBondContact OD1-CB 3.45Å; N65-T67 WeakPolarHBondContact OD1-CG2 3.13Å; N65-T67 PolarHBondContact OD1-N 2.81Å; N65-T67 PolarHBondContact OD1-OG1 2.78Å |
| 68 | N | 87.5 | Confident | 91.6 | Very high | 120 Ų | 120 | 56.3 Ų | 56.3 | 64% | 0.642 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -110.2 | 11.8 | -178 | -62.6 | -61.4 | 0 | 0 | 0 | 113.3 | T66 | T66-N68 PolarHBondContact O-N 3.13Š|
| 69 | L | 91.6 | Very high | 91.5 | Very high | 12 Ų | 12 | 63.1 Ų | 63.1 | 6% | 0.063 | 35% | 0.348 | C | S | . | . | trans | -94.3 | 125.4 | -176.8 | -48.4 | -173.8 | 0 | 0 | 0 | 110.1 | Y38 F59 V64 T66 Y92 V109 V111 L116 | Y38-L69 HydrophobicContact CD1-CD1 3.82Å; Y38-L69 HydrophobicContact CE1-CD1 3.73Å; Y38-L69 HydrophobicContact CE1-CD2 4.04Å; F59-L69 HydrophobicContact CE1-CD1 4.15Å; F59-L69 HydrophobicContact CE2-CB 4.45Å; F59-L69 HydrophobicContact CE2-CD1 3.67Å; F59-L69 HydrophobicContact CZ-CB 4.22Å; F59-L69 HydrophobicContact CZ-CD1 3.37Å; F59-L69 HydrophobicContact CZ-CG 4.43Å; V64-L69 HydrophobicContact CG1-CD1 3.82Å; T66-L69 PolarHBondContact O-N 3.32Å; L69-Y92 VanDerWaalsContact O-CE1 3.23Å; L69-Y92 WeakPolarHBondContact O-CE1 3.38Å; L69-Y92 PolarHBondContact O-OH 2.77Å; L69-V109 HydrophobicContact CB-CG1 4.31Å; L69-V111 HydrophobicContact CD2-CG2 3.33Å; L69-L116 HydrophobicContact CD2-CD1 4.23Å | ||
| 70 | E | 93.7 | Very high | 91.5 | Very high | 118 Ų | 118 | 64.3 Ų | 64.3 | 55% | 0.551 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 150 | 173.3 | -66 | -176.1 | 167.6 | 0 | 0 | 110.8 | V109 K110 | E70-V109 CarbonylContact O-C 3.49Å; E70-V109 WeakPolarHBondContact O-CA 3.34Å; E70-K110 HydrophobicContact CB-CB 4.38Å; E70-K110 PolarHBondContact N-O 2.92Å; E70-K110 PolarHBondContact O-N 2.91Å |
| 71 | F | 95.9 | Very high | 91.6 | Very high | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.009 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 138 | 168.8 | -88.6 | -108.1 | 0 | 0 | 0 | 110.7 | F40 C57 F59 S84 F85 Y92 I107 C108 V109 | F40-F71 HydrophobicContact CB-CE1 4.16Å; F40-F71 HydrophobicContact CB-CZ 3.79Å; F40-F71 HydrophobicContact CD1-CE1 4.19Å; F40-F71 HydrophobicContact CD1-CZ 4.28Å; F40-F71 AromaticContact CD2-CE1 3.6Å; F40-F71 HydrophobicContact CD2-CE1 3.6Å; F40-F71 HydrophobicContact CD2-CZ 4.14Å; F40-F71 HydrophobicContact CE1-CE1 4.48Å; F40-F71 AromaticContact CE2-CE1 3.94Å; F40-F71 HydrophobicContact CE2-CE1 3.94Å; F40-F71 AromaticContact CG-CE1 3.73Å; F40-F71 HydrophobicContact CG-CE1 3.73Å; F40-F71 AromaticContact CG-CZ 3.83Å; F40-F71 HydrophobicContact CG-CZ 3.83Å; F40-F71 HydrophobicContact CZ-CE1 4.36Å; C57-F71 HydrophobicContact CB-CD1 3.92Å; C57-F71 HydrophobicContact CB-CE1 3.63Å; C57-F71 HydrophobicContact CB-CZ 4.2Å; F59-F71 HydrophobicContact CE1-CE2 4.22Å; F59-F71 HydrophobicContact CE1-CZ 4.28Å; F59-F71 AromaticContact CE2-CE2 3.8Å; F59-F71 HydrophobicContact CE2-CE2 3.8Å; F59-F71 HydrophobicContact CE2-CZ 4.46Å; F59-F71 AromaticContact CZ-CE2 3.57Å; F59-F71 HydrophobicContact CZ-CE2 3.57Å; F59-F71 HydrophobicContact CZ-CZ 4.08Å; F71-S84 WeakPolarHBondContact O-CA 3.43Å; F71-F85 HydrophobicContact CB-CB 3.85Å; F71-F85 HydrophobicContact CB-CD1 4.42Å; F71-F85 HydrophobicContact CB-CD2 3.56Å; F71-F85 HydrophobicContact CB-CE2 4.09Å; F71-F85 HydrophobicContact CB-CG 3.72Å; F71-F85 WeakPolarHBondContact O-CD2 3.47Å; F71-F85 PolarHBondContact O-N 2.04Å; F71-Y92 HydrophobicContact CB-CD1 3.97Å; F71-Y92 HydrophobicContact CB-CG 4.18Å; F71-Y92 AromaticContact CD2-CD1 3.49Å; F71-Y92 HydrophobicContact CD2-CD1 3.49Å; F71-Y92 VanDerWaalsContact CD2-CD1 3.49Å; F71-Y92 AromaticContact CD2-CD2 3.54Å; F71-Y92 HydrophobicContact CD2-CD2 3.54Å; F71-Y92 AromaticContact CD2-CE1 3.81Å; F71-Y92 HydrophobicContact CD2-CE1 3.81Å; F71-Y92 AromaticContact CD2-CE2 3.89Å; F71-Y92 HydrophobicContact CD2-CE2 3.89Å; F71-Y92 AromaticContact CD2-CG 3.33Å; F71-Y92 HydrophobicContact CD2-CG 3.33Å; F71-Y92 AromaticContact CD2-CZ 3.99Å; F71-Y92 HydrophobicContact CE2-CD1 4.34Å; F71-Y92 AromaticContact CE2-CD2 3.55Å; F71-Y92 HydrophobicContact CE2-CD2 3.55Å; F71-Y92 AromaticContact CE2-CE2 3.79Å; F71-Y92 HydrophobicContact CE2-CE2 3.79Å; F71-Y92 AromaticContact CE2-CG 3.85Å; F71-Y92 HydrophobicContact CE2-CG 3.85Å; F71-Y92 HydrophobicContact CG-CD1 4.09Å; F71-Y92 HydrophobicContact CG-CD2 4.48Å; F71-Y92 AromaticContact CG-CG 3.94Å; F71-Y92 HydrophobicContact CG-CG 3.94Å; F71-I107 HydrophobicContact CD1-CG2 3.85Å; F71-I107 HydrophobicContact CE1-CG2 4.3Å; F71-C108 WeakPolarHBondContact CA-O 3.23Å; F71-V109 HydrophobicContact CD2-CG2 4.47Å; F71-V109 HydrophobicContact CE1-CG2 3.96Å; F71-V109 HydrophobicContact CE2-CG2 3.93Å; F71-V109 HydrophobicContact CZ-CG2 3.64Å |
| 72 | E | 96.5 | Very high | 91.8 | Very high | 39 Ų | 39 | 67 Ų | 67 | 18% | 0.182 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 137.2 | 173.8 | -173.8 | -175.1 | -87.5 | 0 | 0 | 110.5 | C74 C82 L83 I107 C108 K110 | E72-C74 PolarHBondContact OE2-SG 2.95Å; E72-C82 HydrophobicContact CG-CB 3.94Å; E72-L83 WeakPolarHBondContact CA-O 3.41Å; E72-I107 CarbonylContact O-C 3.53Å; E72-I107 WeakPolarHBondContact O-CA 3.16Å; E72-C108 PolarHBondContact N-O 2.88Å; E72-C108 PolarHBondContact O-N 2.83Å; E72-K110 HydrophobicContact CB-CD 4.39Å; E72-K110 IonicContact OE1-NZ 2.57Å; E72-K110 PolarHBondContact OE1-NZ 2.84Å; E72-K110 WeakPolarHBondContact OE2-CE 3.07Å; E72-K110 IonicContact OE2-NZ 3.59Å; E72-K110 PolarHBondContact OE2-NZ 2.71Å |
| 73 | I | 97.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 129.3 | 171.1 | 178.6 | 166.8 | 0 | 0 | 0 | 110 | L55 C82 L83 F85 F99 I107 L123 | L55-I73 HydrophobicContact CD2-CD1 3.48Å; L55-I73 VanDerWaalsContact CD2-CD1 3.48Å; I73-C82 CarbonylContact O-C 3.55Å; I73-C82 WeakPolarHBondContact O-CA 3.4Å; I73-L83 HydrophobicContact CG2-CB 4.08Å; I73-L83 WeakPolarHBondContact CG2-O 3.47Å; I73-L83 PolarHBondContact N-O 2.86Å; I73-L83 PolarHBondContact O-N 2.9Å; I73-F85 HydrophobicContact CB-CE2 3.79Å; I73-F85 HydrophobicContact CB-CZ 4.35Å; I73-F85 HydrophobicContact CG2-CD2 4.42Å; I73-F85 HydrophobicContact CG2-CE2 3.74Å; I73-F85 HydrophobicContact CG2-CZ 4.36Å; I73-F99 HydrophobicContact CD1-CE1 4.2Å; I73-I107 HydrophobicContact CB-CG1 4.26Å; I73-I107 HydrophobicContact CD1-CD1 4.4Å; I73-I107 HydrophobicContact CD1-CG1 4.12Å; I73-I107 HydrophobicContact CG1-CG1 4.09Å; I73-L123 HydrophobicContact CD1-CD1 4.15Å; I73-L123 HydrophobicContact CD1-CD2 4.11Å |
| 74 | C | 96.3 | Very high | 92.8 | Very high | 29 Ų | 29 | 60 Ų | 60 | 20% | 0.196 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 145.9 | 177.8 | -62.5 | 0 | 0 | 0 | 0 | 112.5 | E72 K81 C82 S105 N106 | E72-C74 PolarHBondContact OE2-SG 2.95Å; C74-K81 WeakPolarHBondContact CA-O 3.23Å; C74-C82 HydrophobicContact CB-CB 4.06Å; C74-C82 WeakPolarHBondContact CB-SG 3.49Å; C74-C82 WeakPolarHBondContact SG-CB 3.34Å; C74-C82 CovalentContact SG-SG 2.04Å; C74-C82 PolarHBondContact SG-SG 3.46Å; C74-S105 CarbonylContact O-C 3.33Å; C74-S105 WeakPolarHBondContact O-CA 3.23Å; C74-N106 PolarHBondContact N-O 2.89Å; C74-N106 PolarHBondContact O-N 2.94Å |
| 75 | G | 94.8 | Very high | 93.3 | Very high | 33 Ų | 33 | 59.8 Ų | 59.8 | 34% | 0.34 | 33% | 0.328 | S | S | . | . | S | Bend | trans | 76.3 | 157.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | L77 K81 S105 | G75-L77 PolarHBondContact O-N 2.7Å; G75-K81 PolarHBondContact N-O 3.1Å; G75-S105 WeakPolarHBondContact O-CB 3.48Å; G75-S105 PolarHBondContact O-OG 2.73Å |
| 76 | A | 94.3 | Very high | 93.8 | Very high | 24 Ų | 24 | 62.8 Ų | 62.8 | 20% | 0.198 | 33% | 0.331 | C | S | . | . | S | Bend | trans | 51.6 | 37.2 | -165.4 | 0 | 0 | 0 | 0 | 0 | 113 | L100 I102 | A76-L100 WeakPolarHBondContact O-CB 3.43Å; A76-L100 PolarHBondContact O-N 2.84Å; A76-I102 WeakPolarHBondContact CB-O 3.09Å |
| 77 | L | 95.4 | Very high | 94.1 | Very high | 22 Ų | 22 | 66 Ų | 66 | 12% | 0.115 | 34% | 0.344 | C | S | . | . | B | Isolated β-bridge | trans | -115.2 | 152.2 | 177.3 | -58.8 | -177.7 | 0 | 0 | 0 | 111.1 | G75 V80 L83 K98 F99 | G75-L77 PolarHBondContact O-N 2.7Å; L77-V80 HydrophobicContact CB-CG2 3.98Å; L77-V80 WeakPolarHBondContact CB-O 3.35Å; L77-V80 HydrophobicContact CD1-CG2 3.94Å; L77-L83 HydrophobicContact CD1-CD1 4.16Å; L77-L83 HydrophobicContact CD1-CG 4.08Å; L77-L83 HydrophobicContact CD2-CD1 4.49Å; L77-K98 CarbonylContact C-O 3.58Å; L77-K98 VanDerWaalsContact CA-O 3.22Å; L77-K98 WeakPolarHBondContact CA-O 3.44Å; L77-F99 HydrophobicContact CD2-CD1 3.61Å; L77-F99 HydrophobicContact CD2-CE1 4.1Å |
| 78 | V | 93.8 | Very high | 94.4 | Very high | 52 Ų | 52 | 65.9 Ų | 65.9 | 32% | 0.315 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -92.9 | 132.6 | 177.3 | -177.8 | 0 | 0 | 0 | 0 | 109.5 | V80 K98 L100 | V78-V80 PolarHBondContact O-N 2.93Å; V78-K98 HydrophobicContact CB-CB 4.42Å; V78-K98 PolarHBondContact N-O 2.84Å; V78-L100 HydrophobicContact CG2-CB 4.34Å; V78-L100 HydrophobicContact CG2-CD1 4.03Å |
| 79 | E | 93 | Very high | 94.4 | Very high | 168 Ų | 168 | 68.5 Ų | 68.5 | 79% | 0.785 | 35% | 0.348 | S | S | * | . | S | Bend | trans | 61.5 | -25.4 | -179 | -62.5 | 153.9 | -163.6 | 0 | 0 | 117.3 | K98 | E79-K98 IonicContact OE2-NZ 3.19Å; E79-K98 PolarHBondContact OE2-NZ 3Å |
| 80 | V | 95.2 | Very high | 94.2 | Very high | 45 Ų | 45 | 72.8 Ų | 72.8 | 27% | 0.273 | 37% | 0.367 | S | S | . | . | trans | -117.8 | 150.2 | -172.7 | -59.1 | 0 | 0 | 0 | 0 | 111.6 | L77 V78 L83 K98 | L77-V80 HydrophobicContact CB-CG2 3.98Å; L77-V80 WeakPolarHBondContact CB-O 3.35Å; L77-V80 HydrophobicContact CD1-CG2 3.94Å; V78-V80 PolarHBondContact O-N 2.93Å; V80-L83 HydrophobicContact CG2-CD1 4.09Å; V80-L83 HydrophobicContact CG2-CD2 3.99Å; V80-L83 HydrophobicContact CG2-CG 3.82Å; V80-K98 HydrophobicContact CG1-CD 3.98Å; V80-K98 HydrophobicContact CG2-CD 4Å | ||
| 81 | K | 94.1 | Very high | 94.3 | Very high | 188 Ų | 188 | 70.6 Ų | 70.6 | 82% | 0.817 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -77.7 | -43.5 | 176.5 | -67.6 | -176.3 | 178.4 | -179.7 | 0 | 112.4 | C74 G75 | C74-K81 WeakPolarHBondContact CA-O 3.23Å; G75-K81 PolarHBondContact N-O 3.1Å |
| 82 | C | 95.6 | Very high | 94.3 | Very high | 48 Ų | 48 | 70.7 Ų | 70.7 | 32% | 0.324 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 161.8 | -176.8 | -54.9 | 0 | 0 | 0 | 0 | 110.9 | E72 I73 C74 | E72-C82 HydrophobicContact CG-CB 3.94Å; I73-C82 CarbonylContact O-C 3.55Å; I73-C82 WeakPolarHBondContact O-CA 3.4Å; C74-C82 HydrophobicContact CB-CB 4.06Å; C74-C82 WeakPolarHBondContact CB-SG 3.49Å; C74-C82 WeakPolarHBondContact SG-CB 3.34Å; C74-C82 CovalentContact SG-SG 2.04Å; C74-C82 PolarHBondContact SG-SG 3.46Å |
| 83 | L | 96.4 | Very high | 94.3 | Very high | 39 Ų | 39 | 71 Ų | 71 | 20% | 0.204 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 137 | 171.5 | -68 | 167.6 | 0 | 0 | 0 | 109.8 | E72 I73 L77 V80 I94 T96 K98 | E72-L83 WeakPolarHBondContact CA-O 3.41Å; I73-L83 HydrophobicContact CG2-CB 4.08Å; I73-L83 WeakPolarHBondContact CG2-O 3.47Å; I73-L83 PolarHBondContact N-O 2.86Å; I73-L83 PolarHBondContact O-N 2.9Å; L77-L83 HydrophobicContact CD1-CD1 4.16Å; L77-L83 HydrophobicContact CD1-CG 4.08Å; L77-L83 HydrophobicContact CD2-CD1 4.49Å; V80-L83 HydrophobicContact CG2-CD1 4.09Å; V80-L83 HydrophobicContact CG2-CD2 3.99Å; V80-L83 HydrophobicContact CG2-CG 3.82Å; L83-I94 HydrophobicContact CB-CD1 3.54Å; L83-I94 HydrophobicContact CD1-CD1 3.87Å; L83-I94 HydrophobicContact CG-CD1 4.26Å; L83-T96 HydrophobicContact CD1-CG2 4.27Å; L83-K98 HydrophobicContact CD1-CB 4.32Å |
| 84 | S | 95.5 | Very high | 94.2 | Very high | 76 Ų | 76 | 71.6 Ų | 71.6 | 53% | 0.531 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 145.1 | 171.9 | -48.1 | 0 | 0 | 0 | 0 | 111 | F71 | F71-S84 WeakPolarHBondContact O-CA 3.43Å |
| 85 | F | 96.3 | Very high | 94.2 | Very high | 19 Ų | 19 | 73.1 Ų | 73.1 | 8% | 0.083 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -81.7 | 159.6 | 174 | -70.3 | -120.1 | 0 | 0 | 0 | 110.9 | L55 C57 F71 I73 I94 I107 | L55-F85 HydrophobicContact CB-CE1 4.46Å; L55-F85 HydrophobicContact CD2-CE1 4.1Å; L55-F85 HydrophobicContact CD2-CZ 3.63Å; L55-F85 HydrophobicContact CG-CE1 3.9Å; L55-F85 HydrophobicContact CG-CZ 3.94Å; C57-F85 HydrophobicContact CB-CE1 4.35Å; F71-F85 HydrophobicContact CB-CB 3.85Å; F71-F85 HydrophobicContact CB-CD1 4.42Å; F71-F85 HydrophobicContact CB-CD2 3.56Å; F71-F85 HydrophobicContact CB-CE2 4.09Å; F71-F85 HydrophobicContact CB-CG 3.72Å; F71-F85 WeakPolarHBondContact O-CD2 3.47Å; F71-F85 PolarHBondContact O-N 2.04Å; I73-F85 HydrophobicContact CB-CE2 3.79Å; I73-F85 HydrophobicContact CB-CZ 4.35Å; I73-F85 HydrophobicContact CG2-CD2 4.42Å; I73-F85 HydrophobicContact CG2-CE2 3.74Å; I73-F85 HydrophobicContact CG2-CZ 4.36Å; F85-I94 HydrophobicContact CD1-CB 4.12Å; F85-I94 HydrophobicContact CD1-CG2 3.74Å; F85-I94 HydrophobicContact CE1-CG2 3.7Å; F85-I94 HydrophobicContact CE2-CG2 4.48Å; F85-I94 HydrophobicContact CG-CB 4.3Å; F85-I94 HydrophobicContact CG-CG2 4.19Å; F85-I94 HydrophobicContact CZ-CG2 4.1Å; F85-I107 HydrophobicContact CE2-CG2 4.31Å; F85-I107 HydrophobicContact CZ-CG2 4.28Å |
| 86 | R | 95.3 | Very high | 94.3 | Very high | 177 Ų | 177 | 72.2 Ų | 72.2 | 67% | 0.668 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 126.5 | 168.5 | -57.3 | 179.4 | -173.9 | 168 | 3.9 | 108.5 | F93 | R86-F93 PolarHBondContact N-O 3.49Å; R86-F93 PolarHBondContact O-N 2.86Å |
| 87 | K | 93.3 | Very high | 94.3 | Very high | 81 Ų | 81 | 77 Ų | 77 | 35% | 0.352 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 131.4 | 170.6 | -171 | 179.3 | -179.3 | -173.8 | 0 | 109.8 | T66 Q89 E90 Y92 | T66-K87 VanDerWaalsContact C-NZ 3.32Å; T66-K87 VanDerWaalsContact CB-NZ 3.27Å; T66-K87 PolarHBondContact O-NZ 2.61Å; T66-K87 PolarHBondContact OG1-NZ 3.5Å; K87-Q89 WeakPolarHBondContact CE-O 3.45Å; K87-Q89 VanDerWaalsContact CG-O 3.25Å; K87-Q89 WeakPolarHBondContact CG-O 3.49Å; K87-E90 IonicContact NZ-OE2 2.77Å; K87-Y92 HydrophobicContact CB-CD1 4.15Å; K87-Y92 HydrophobicContact CB-CE1 3.91Å; K87-Y92 HydrophobicContact CD-CE1 4.15Å; K87-Y92 HydrophobicContact CG-CD1 4.42Å; K87-Y92 HydrophobicContact CG-CE1 3.97Å |
| 88 | L | 89.9 | Confident | 94.4 | Very high | 92 Ų | 92 | 78.9 Ų | 78.9 | 48% | 0.482 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 99.7 | 176.8 | -65.8 | 176 | 0 | 0 | 0 | 107.4 | E90 I91 F93 | L88-E90 PolarHBondContact O-N 2.99Å; L88-I91 HydrophobicContact CB-CG1 4.22Å; L88-I91 PolarHBondContact N-O 2.86Å; L88-I91 WeakPolarHBondContact O-CG1 3.34Å; L88-I91 PolarHBondContact O-N 2.93Å; L88-I91 VanDerWaalsContact O-N 3.14Å; L88-F93 HydrophobicContact CD1-CB 3.94Å; L88-F93 HydrophobicContact CD1-CD1 4.21Å; L88-F93 HydrophobicContact CD1-CG 4.28Å |
| 89 | Q | 87.5 | Confident | 94.5 | Very high | 174 Ų | 174 | 76.8 Ų | 76.8 | 81% | 0.813 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | -130.6 | -166 | -58.8 | 168.7 | -26.3 | 0 | 0 | 108.8 | K87 | K87-Q89 WeakPolarHBondContact CE-O 3.45Å; K87-Q89 VanDerWaalsContact CG-O 3.25Å; K87-Q89 WeakPolarHBondContact CG-O 3.49Å |
| 90 | E | 88.6 | Confident | 94.5 | Very high | 102 Ų | 102 | 72.9 Ų | 72.9 | 48% | 0.477 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 5.3 | -179 | -51.3 | -41 | 124.6 | 0 | 0 | 114.7 | T66 K87 L88 | T66-E90 WeakPolarHBondContact CB-OE2 3.4Å; T66-E90 VanDerWaalsContact CG2-OE2 3.28Å; T66-E90 WeakPolarHBondContact CG2-OE2 3.44Å; T66-E90 PolarHBondContact OG1-OE2 2.93Å; K87-E90 IonicContact NZ-OE2 2.77Å; L88-E90 PolarHBondContact O-N 2.99Å |
| 91 | I | 94.1 | Very high | 94.5 | Very high | 73 Ų | 73 | 71.7 Ų | 71.7 | 37% | 0.374 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 145.1 | 174 | 64.6 | 166.4 | 0 | 0 | 0 | 112.3 | T56 A58 L88 | T56-I91 HydrophobicContact CG2-CB 4.24Å; T56-I91 HydrophobicContact CG2-CD1 4.21Å; A58-I91 HydrophobicContact CB-CG2 4.28Å; L88-I91 HydrophobicContact CB-CG1 4.22Å; L88-I91 PolarHBondContact N-O 2.86Å; L88-I91 WeakPolarHBondContact O-CG1 3.34Å; L88-I91 PolarHBondContact O-N 2.93Å; L88-I91 VanDerWaalsContact O-N 3.14Å |
| 92 | Y | 96.3 | Very high | 94.4 | Very high | 3 Ų | 3 | 68.4 Ų | 68.4 | 1% | 0.012 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 119.8 | 175.7 | -68.5 | -97 | 0 | 0 | 0 | 108.8 | T56 C57 F59 T66 L69 F71 K87 | T56-Y92 CarbonylContact C-O 3.58Å; T56-Y92 WeakPolarHBondContact CA-O 3.37Å; C57-Y92 PolarHBondContact N-O 2.89Å; C57-Y92 PolarHBondContact O-N 2.98Å; F59-Y92 HydrophobicContact CD2-CE2 4.39Å; F59-Y92 AromaticContact CE2-CE2 3.8Å; F59-Y92 HydrophobicContact CE2-CE2 3.8Å; T66-Y92 PolarHBondContact O-OH 2.89Å; L69-Y92 VanDerWaalsContact O-CE1 3.23Å; L69-Y92 WeakPolarHBondContact O-CE1 3.38Å; L69-Y92 PolarHBondContact O-OH 2.77Å; F71-Y92 HydrophobicContact CB-CD1 3.97Å; F71-Y92 HydrophobicContact CB-CG 4.18Å; F71-Y92 AromaticContact CD2-CD1 3.49Å; F71-Y92 HydrophobicContact CD2-CD1 3.49Å; F71-Y92 VanDerWaalsContact CD2-CD1 3.49Å; F71-Y92 AromaticContact CD2-CD2 3.54Å; F71-Y92 HydrophobicContact CD2-CD2 3.54Å; F71-Y92 AromaticContact CD2-CE1 3.81Å; F71-Y92 HydrophobicContact CD2-CE1 3.81Å; F71-Y92 AromaticContact CD2-CE2 3.89Å; F71-Y92 HydrophobicContact CD2-CE2 3.89Å; F71-Y92 AromaticContact CD2-CG 3.33Å; F71-Y92 HydrophobicContact CD2-CG 3.33Å; F71-Y92 AromaticContact CD2-CZ 3.99Å; F71-Y92 HydrophobicContact CE2-CD1 4.34Å; F71-Y92 AromaticContact CE2-CD2 3.55Å; F71-Y92 HydrophobicContact CE2-CD2 3.55Å; F71-Y92 AromaticContact CE2-CE2 3.79Å; F71-Y92 HydrophobicContact CE2-CE2 3.79Å; F71-Y92 AromaticContact CE2-CG 3.85Å; F71-Y92 HydrophobicContact CE2-CG 3.85Å; F71-Y92 HydrophobicContact CG-CD1 4.09Å; F71-Y92 HydrophobicContact CG-CD2 4.48Å; F71-Y92 AromaticContact CG-CG 3.94Å; F71-Y92 HydrophobicContact CG-CG 3.94Å; K87-Y92 HydrophobicContact CB-CD1 4.15Å; K87-Y92 HydrophobicContact CB-CE1 3.91Å; K87-Y92 HydrophobicContact CD-CE1 4.15Å; K87-Y92 HydrophobicContact CG-CD1 4.42Å; K87-Y92 HydrophobicContact CG-CE1 3.97Å |
| 93 | F | 96.8 | Very high | 94.4 | Very high | 45 Ų | 45 | 67.8 Ų | 67.8 | 20% | 0.197 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 138.9 | -170.3 | -180 | -100.4 | 0 | 0 | 0 | 112.1 | R86 L88 E95 | R86-F93 PolarHBondContact N-O 3.49Å; R86-F93 PolarHBondContact O-N 2.86Å; L88-F93 HydrophobicContact CD1-CB 3.94Å; L88-F93 HydrophobicContact CD1-CD1 4.21Å; L88-F93 HydrophobicContact CD1-CG 4.28Å; F93-E95 HydrophobicContact CE1-CB 3.77Å; F93-E95 HydrophobicContact CZ-CB 3.98Å |
| 94 | I | 96.7 | Very high | 94.4 | Very high | 14 Ų | 14 | 73 Ų | 73 | 7% | 0.072 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 138.4 | 167.4 | -175.1 | 171.8 | 0 | 0 | 0 | 110.3 | S54 L55 L83 F85 T96 F99 | S54-I94 CarbonylContact C-O 3.58Å; S54-I94 VanDerWaalsContact CA-O 3.22Å; S54-I94 WeakPolarHBondContact CA-O 3.26Å; L55-I94 HydrophobicContact CB-CG2 3.82Å; L55-I94 HydrophobicContact CD2-CG2 4.49Å; L55-I94 HydrophobicContact CG-CG2 4.48Å; L55-I94 PolarHBondContact N-O 2.74Å; L55-I94 PolarHBondContact O-N 3.12Å; L83-I94 HydrophobicContact CB-CD1 3.54Å; L83-I94 HydrophobicContact CD1-CD1 3.87Å; L83-I94 HydrophobicContact CG-CD1 4.26Å; F85-I94 HydrophobicContact CD1-CB 4.12Å; F85-I94 HydrophobicContact CD1-CG2 3.74Å; F85-I94 HydrophobicContact CE1-CG2 3.7Å; F85-I94 HydrophobicContact CE2-CG2 4.48Å; F85-I94 HydrophobicContact CG-CB 4.3Å; F85-I94 HydrophobicContact CG-CG2 4.19Å; F85-I94 HydrophobicContact CZ-CG2 4.1Å; I94-T96 HydrophobicContact CG1-CG2 4.5Å; I94-F99 HydrophobicContact CG2-CZ 3.99Å |
| 95 | E | 96.3 | Very high | 94.5 | Very high | 60 Ų | 60 | 69.4 Ų | 69.4 | 28% | 0.28 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 126.7 | 173.8 | -174.3 | -171.2 | 170.9 | 0 | 0 | 108.3 | N49 Q52 H53 F93 | N49-E95 WeakPolarHBondContact CB-OE1 3.48Å; N49-E95 PolarHBondContact ND2-OE1 3.48Å; Q52-E95 HydrophobicContact CB-CG 3.87Å; Q52-E95 PolarHBondContact NE2-OE1 2.84Å; H53-E95 CarbonylContact O-C 3.56Å; H53-E95 WeakPolarHBondContact O-CA 3.26Å; F93-E95 HydrophobicContact CE1-CB 3.77Å; F93-E95 HydrophobicContact CZ-CB 3.98Å |
| 96 | T | 95.7 | Very high | 94.5 | Very high | 15 Ų | 15 | 70.6 Ų | 70.6 | 9% | 0.092 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.9 | 158.7 | -174.7 | -172.6 | 0 | 0 | 0 | 0 | 113.4 | H53 L83 I94 K98 F99 | H53-T96 PolarHBondContact N-O 3.12Å; H53-T96 PolarHBondContact O-N 2.61Å; L83-T96 HydrophobicContact CD1-CG2 4.27Å; I94-T96 HydrophobicContact CG1-CG2 4.5Å; T96-K98 WeakPolarHBondContact OG1-CB 3.49Å; T96-K98 PolarHBondContact OG1-N 3.02Å; T96-F99 HydrophobicContact CG2-CD1 3.74Å; T96-F99 HydrophobicContact CG2-CD2 4.16Å; T96-F99 HydrophobicContact CG2-CE1 3.48Å; T96-F99 VanDerWaalsContact CG2-CE1 3.48Å; T96-F99 HydrophobicContact CG2-CE2 3.92Å; T96-F99 HydrophobicContact CG2-CG 4.07Å; T96-F99 HydrophobicContact CG2-CZ 3.58Å |
| 97 | K | 95.6 | Very high | 94.6 | Very high | 123 Ų | 123 | 62.1 Ų | 62.1 | 54% | 0.535 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -92.9 | -2.1 | 165.9 | -50.6 | -161.5 | -176.6 | -174 | 0 | 113.2 | S51 Q52 F99 | S51-K97 WeakPolarHBondContact O-CG 3.4Å; S51-K97 WeakPolarHBondContact OG-CE 3.33Å; S51-K97 PolarHBondContact OG-NZ 3.47Å; Q52-K97 HydrophobicContact CB-CG 4.47Å; Q52-K97 HydrophobicContact CG-CD 4.41Å; Q52-K97 HydrophobicContact CG-CG 3.88Å; K97-F99 PolarHBondContact O-N 2.89Å |
| 98 | K | 95.7 | Very high | 94.7 | Very high | 62 Ų | 62 | 58.6 Ų | 58.6 | 27% | 0.27 | 29% | 0.29 | S | S | . | . | trans | -88.8 | 9.1 | -170 | -61.3 | -172.2 | -176.9 | -118.6 | 0 | 114.8 | L77 V78 E79 V80 L83 T96 | L77-K98 CarbonylContact C-O 3.58Å; L77-K98 VanDerWaalsContact CA-O 3.22Å; L77-K98 WeakPolarHBondContact CA-O 3.44Å; V78-K98 HydrophobicContact CB-CB 4.42Å; V78-K98 PolarHBondContact N-O 2.84Å; E79-K98 IonicContact OE2-NZ 3.19Å; E79-K98 PolarHBondContact OE2-NZ 3Å; V80-K98 HydrophobicContact CG1-CD 3.98Å; V80-K98 HydrophobicContact CG2-CD 4Å; L83-K98 HydrophobicContact CD1-CB 4.32Å; T96-K98 WeakPolarHBondContact OG1-CB 3.49Å; T96-K98 PolarHBondContact OG1-N 3.02Å | ||
| 99 | F | 95.9 | Very high | 95 | Very high | 9 Ų | 9 | 54.2 Ų | 54.2 | 4% | 0.039 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | -77.7 | 127.2 | 170.1 | -61.3 | -28.4 | 0 | 0 | 0 | 109.9 | H53 L55 I73 L77 I94 T96 K97 L101 L123 | H53-F99 HydrophobicContact CB-CD2 3.64Å; H53-F99 HydrophobicContact CB-CE2 4.1Å; L55-F99 HydrophobicContact CB-CE2 3.85Å; L55-F99 HydrophobicContact CB-CZ 3.68Å; L55-F99 HydrophobicContact CD2-CZ 4.08Å; I73-F99 HydrophobicContact CD1-CE1 4.2Å; L77-F99 HydrophobicContact CD2-CD1 3.61Å; L77-F99 HydrophobicContact CD2-CE1 4.1Å; I94-F99 HydrophobicContact CG2-CZ 3.99Å; T96-F99 HydrophobicContact CG2-CD1 3.74Å; T96-F99 HydrophobicContact CG2-CD2 4.16Å; T96-F99 HydrophobicContact CG2-CE1 3.48Å; T96-F99 VanDerWaalsContact CG2-CE1 3.48Å; T96-F99 HydrophobicContact CG2-CE2 3.92Å; T96-F99 HydrophobicContact CG2-CG 4.07Å; T96-F99 HydrophobicContact CG2-CZ 3.58Å; K97-F99 PolarHBondContact O-N 2.89Å; F99-L101 VanDerWaalsContact C-N 3.28Å; F99-L101 HydrophobicContact CB-CD2 3.93Å; F99-L101 HydrophobicContact CB-CG 4.38Å; F99-L101 PolarHBondContact O-N 2.97Å; F99-L123 HydrophobicContact CB-CD1 3.98Å; F99-L123 HydrophobicContact CD1-CD1 3.75Å; F99-L123 HydrophobicContact CD2-CD1 3.9Å; F99-L123 HydrophobicContact CE1-CD1 4.17Å; F99-L123 HydrophobicContact CE2-CD1 4.33Å; F99-L123 HydrophobicContact CG-CD1 3.61Å; F99-L123 HydrophobicContact CZ-CD1 4.44Å |
| 100 | L | 94.2 | Very high | 95.2 | Very high | 85 Ų | 85 | 47.4 Ų | 47.4 | 45% | 0.445 | 24% | 0.235 | S | C | . | . | trans | -73.9 | -22.7 | 178.3 | -172.2 | 64.2 | 0 | 0 | 0 | 112.3 | A76 V78 I102 | A76-L100 WeakPolarHBondContact O-CB 3.43Å; A76-L100 PolarHBondContact O-N 2.84Å; V78-L100 HydrophobicContact CG2-CB 4.34Å; V78-L100 HydrophobicContact CG2-CD1 4.03Å; L100-I102 HydrophobicContact CD2-CB 4.39Å; L100-I102 HydrophobicContact CG-CB 4.2Å; L100-I102 PolarHBondContact O-N 3.25Å; L100-I102 VanDerWaalsContact O-N 3.13Å | ||
| 101 | L | 94.1 | Very high | 95.4 | Very high | 20 Ų | 20 | 44.9 Ų | 44.9 | 11% | 0.105 | 23% | 0.227 | C | C | . | . | trans | 55.6 | 21.4 | -174.7 | -52.9 | 179.4 | 0 | 0 | 0 | 114.2 | L46 F99 L123 T124 Y159 | L46-L101 HydrophobicContact CD1-CD1 4.05Å; L46-L101 HydrophobicContact CD1-CD2 4.42Å; L46-L101 HydrophobicContact CD2-CD1 4.28Å; L46-L101 HydrophobicContact CD2-CD2 3.75Å; F99-L101 VanDerWaalsContact C-N 3.28Å; F99-L101 HydrophobicContact CB-CD2 3.93Å; F99-L101 HydrophobicContact CB-CG 4.38Å; F99-L101 PolarHBondContact O-N 2.97Å; L101-L123 HydrophobicContact CD2-CB 4.37Å; L101-T124 HydrophobicContact CB-CG2 4.23Å; L101-T124 VanDerWaalsContact O-CG2 3.26Å; L101-T124 WeakPolarHBondContact O-CG2 3.36Å; L101-Y159 HydrophobicContact CD1-CD2 4.38Å; L101-Y159 HydrophobicContact CD1-CE2 4.32Å | ||
| 102 | I | 93.9 | Very high | 94.9 | Very high | 119 Ų | 119 | 45.4 Ų | 45.4 | 61% | 0.61 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -134.5 | 117 | 177.5 | -58.9 | 173.2 | 0 | 0 | 0 | 107.9 | A76 L100 | A76-I102 WeakPolarHBondContact CB-O 3.09Å; L100-I102 HydrophobicContact CD2-CB 4.39Å; L100-I102 HydrophobicContact CG-CB 4.2Å; L100-I102 PolarHBondContact O-N 3.25Å; L100-I102 VanDerWaalsContact O-N 3.13Å |
| 103 | G | 94.1 | Very high | 94.2 | Very high | 35 Ų | 35 | 47.9 Ų | 47.9 | 36% | 0.361 | 28% | 0.276 | S | S | . | . | S | Bend | trans | 83.7 | -179 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 104 | K | 96.7 | Very high | 93.8 | Very high | 148 Ų | 148 | 53.7 Ų | 53.7 | 64% | 0.643 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 130.1 | -171 | -60.6 | -172.4 | 179 | -171.2 | 0 | 112.2 | I121 D122 | K104-I121 CarbonylContact C-O 3.54Å; K104-I121 WeakPolarHBondContact CA-O 3.42Å; K104-D122 HydrophobicContact CG-CB 4.07Å |
| 105 | S | 97.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.007 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 156.4 | 162.7 | -58.4 | 0 | 0 | 0 | 0 | 110.3 | C74 G75 K120 I121 | C74-S105 CarbonylContact O-C 3.33Å; C74-S105 WeakPolarHBondContact O-CA 3.23Å; G75-S105 WeakPolarHBondContact O-CB 3.48Å; G75-S105 PolarHBondContact O-OG 2.73Å; S105-K120 CarbonylContact O-C 3.57Å; S105-K120 WeakPolarHBondContact O-CA 3.41Å; S105-I121 PolarHBondContact N-O 3.48Å; S105-I121 PolarHBondContact O-N 2.83Å |
| 106 | N | 97.1 | Very high | 93.2 | Very high | 44 Ų | 44 | 57 Ų | 57 | 24% | 0.235 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 114.4 | 169.7 | -166.7 | 63.3 | 0 | 0 | 0 | 107.9 | C74 C108 K120 | C74-N106 PolarHBondContact N-O 2.89Å; C74-N106 PolarHBondContact O-N 2.94Å; N106-C108 PolarHBondContact ND2-SG 2.91Å; N106-K120 HydrophobicContact CB-CG 4.34Å; N106-K120 WeakPolarHBondContact OD1-CG 3.36Å |
| 107 | I | 97.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 128.2 | 175.4 | -55.8 | 179.9 | 0 | 0 | 0 | 107.3 | F40 C42 L55 F71 E72 I73 F85 C118 K119 I121 | F40-I107 HydrophobicContact CE2-CB 4.25Å; F40-I107 HydrophobicContact CE2-CG2 3.87Å; F40-I107 HydrophobicContact CZ-CB 4.29Å; F40-I107 HydrophobicContact CZ-CG2 4.07Å; C42-I107 HydrophobicContact CB-CD1 4.48Å; L55-I107 HydrophobicContact CD2-CD1 3.9Å; F71-I107 HydrophobicContact CD1-CG2 3.85Å; F71-I107 HydrophobicContact CE1-CG2 4.3Å; E72-I107 CarbonylContact O-C 3.53Å; E72-I107 WeakPolarHBondContact O-CA 3.16Å; I73-I107 HydrophobicContact CB-CG1 4.26Å; I73-I107 HydrophobicContact CD1-CD1 4.4Å; I73-I107 HydrophobicContact CD1-CG1 4.12Å; I73-I107 HydrophobicContact CG1-CG1 4.09Å; F85-I107 HydrophobicContact CE2-CG2 4.31Å; F85-I107 HydrophobicContact CZ-CG2 4.28Å; I107-C118 CarbonylContact O-C 3.55Å; I107-C118 WeakPolarHBondContact O-CA 3.37Å; I107-K119 PolarHBondContact N-O 2.84Å; I107-K119 PolarHBondContact O-N 2.52Å; I107-I121 HydrophobicContact CD1-CD1 4.3Å |
| 108 | C | 95.8 | Very high | 93.1 | Very high | 7 Ų | 7 | 55.2 Ų | 55.2 | 5% | 0.047 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 143.1 | -179.4 | -63.5 | 0 | 0 | 0 | 0 | 112.1 | F71 E72 N106 T117 C118 | F71-C108 WeakPolarHBondContact CA-O 3.23Å; E72-C108 PolarHBondContact N-O 2.88Å; E72-C108 PolarHBondContact O-N 2.83Å; N106-C108 PolarHBondContact ND2-SG 2.91Å; C108-T117 CarbonylContact C-O 3.59Å; C108-T117 VanDerWaalsContact CA-O 3.27Å; C108-T117 WeakPolarHBondContact CA-O 3.35Å; C108-C118 HydrophobicContact CB-CB 4.11Å; C108-C118 WeakPolarHBondContact CB-SG 3.4Å; C108-C118 WeakPolarHBondContact SG-CB 3.21Å; C108-C118 CovalentContact SG-SG 2.04Å; C108-C118 PolarHBondContact SG-SG 2.71Å |
| 109 | V | 94.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 133.8 | 162.6 | -176.4 | 0 | 0 | 0 | 0 | 108.1 | F40 F59 L69 E70 F71 S115 L116 T117 | F40-V109 HydrophobicContact CD1-CG2 3.67Å; F40-V109 HydrophobicContact CE1-CG2 3.87Å; F40-V109 HydrophobicContact CG-CG2 4.46Å; F59-V109 HydrophobicContact CE1-CG1 4.22Å; F59-V109 HydrophobicContact CE1-CG2 3.96Å; F59-V109 HydrophobicContact CZ-CG1 3.95Å; F59-V109 HydrophobicContact CZ-CG2 4.19Å; L69-V109 HydrophobicContact CB-CG1 4.31Å; E70-V109 CarbonylContact O-C 3.49Å; E70-V109 WeakPolarHBondContact O-CA 3.34Å; F71-V109 HydrophobicContact CD2-CG2 4.47Å; F71-V109 HydrophobicContact CE1-CG2 3.96Å; F71-V109 HydrophobicContact CE2-CG2 3.93Å; F71-V109 HydrophobicContact CZ-CG2 3.64Å; V109-S115 CarbonylContact O-C 2.98Å; V109-S115 WeakPolarHBondContact O-CA 3.35Å; V109-L116 HydrophobicContact CG1-CD1 4.31Å; V109-L116 PolarHBondContact O-N 3.28Å; V109-T117 HydrophobicContact CB-CG2 3.98Å; V109-T117 HydrophobicContact CG2-CG2 3.84Å; V109-T117 PolarHBondContact N-O 3.28Å |
| 110 | K | 93.1 | Very high | 93.1 | Very high | 31 Ų | 31 | 62.9 Ų | 62.9 | 14% | 0.135 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 148.4 | -178.5 | -70.9 | -171.1 | 178 | -177 | 0 | 113 | E70 E72 K114 | E70-K110 HydrophobicContact CB-CB 4.38Å; E70-K110 PolarHBondContact N-O 2.92Å; E70-K110 PolarHBondContact O-N 2.91Å; E72-K110 HydrophobicContact CB-CD 4.39Å; E72-K110 IonicContact OE1-NZ 2.57Å; E72-K110 PolarHBondContact OE1-NZ 2.84Å; E72-K110 WeakPolarHBondContact OE2-CE 3.07Å; E72-K110 IonicContact OE2-NZ 3.59Å; E72-K110 PolarHBondContact OE2-NZ 2.71Å; K110-K114 CarbonylContact C-O 3.58Å; K110-K114 WeakPolarHBondContact CA-O 3.28Å |
| 111 | V | 91.4 | Very high | 93.2 | Very high | 49 Ų | 49 | 60.1 Ų | 60.1 | 30% | 0.297 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 122.6 | 168.3 | -179.2 | 0 | 0 | 0 | 0 | 108.6 | L69 G113 K114 L116 | L69-V111 HydrophobicContact CD2-CG2 3.33Å; V111-G113 PolarHBondContact O-N 2.88Å; V111-G113 VanDerWaalsContact O-N 3.11Å; V111-K114 PolarHBondContact N-O 2.72Å; V111-K114 PolarHBondContact O-N 2.97Å; V111-L116 HydrophobicContact CG2-CD1 3.62Å; V111-L116 HydrophobicContact CG2-CG 4.07Å |
| 112 | G | 84.3 | Confident | 93.4 | Very high | 83 Ų | 83 | 60.6 Ų | 60.6 | 86% | 0.856 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 31.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114 | K114 | G112-K114 VanDerWaalsContact C-N 3.28Å; G112-K114 PolarHBondContact O-N 2.84Å |
| 113 | G | 82.1 | Confident | 93.5 | Very high | 55 Ų | 55 | 55.1 Ų | 55.1 | 57% | 0.567 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.3 | -12.3 | -176 | 0 | 0 | 0 | 0 | 0 | 116 | V111 | V111-G113 PolarHBondContact O-N 2.88Å; V111-G113 VanDerWaalsContact O-N 3.11Å |
| 114 | K | 88.4 | Confident | 93.6 | Very high | 167 Ų | 167 | 54 Ų | 54 | 73% | 0.726 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 135.4 | 169.5 | -62.8 | -179 | -180 | 179.9 | 0 | 109.4 | K110 V111 G112 | K110-K114 CarbonylContact C-O 3.58Å; K110-K114 WeakPolarHBondContact CA-O 3.28Å; V111-K114 PolarHBondContact N-O 2.72Å; V111-K114 PolarHBondContact O-N 2.97Å; G112-K114 VanDerWaalsContact C-N 3.28Å; G112-K114 PolarHBondContact O-N 2.84Å |
| 115 | S | 90.7 | Very high | 93.6 | Very high | 62 Ų | 62 | 50 Ų | 50 | 43% | 0.434 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 127.5 | 170 | -57.9 | 0 | 0 | 0 | 0 | 110.3 | V109 | V109-S115 CarbonylContact O-C 2.98Å; V109-S115 WeakPolarHBondContact O-CA 3.35Å |
| 116 | L | 89.9 | Confident | 93.6 | Very high | 81 Ų | 81 | 50.8 Ų | 50.8 | 42% | 0.424 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | -53.2 | 174 | -63 | -178.7 | 0 | 0 | 0 | 110.7 | Y38 L69 V109 V111 | Y38-L116 HydrophobicContact CD1-CD1 4.12Å; Y38-L116 HydrophobicContact CD2-CD1 3.82Å; Y38-L116 HydrophobicContact CE1-CD1 4.05Å; Y38-L116 HydrophobicContact CE2-CD1 3.78Å; Y38-L116 HydrophobicContact CG-CD1 4.02Å; L69-L116 HydrophobicContact CD2-CD1 4.23Å; V109-L116 HydrophobicContact CG1-CD1 4.31Å; V109-L116 PolarHBondContact O-N 3.28Å; V111-L116 HydrophobicContact CG2-CD1 3.62Å; V111-L116 HydrophobicContact CG2-CG 4.07Å |
| 117 | T | 92.6 | Very high | 93.7 | Very high | 48 Ų | 48 | 48.7 Ų | 48.7 | 29% | 0.294 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 152.6 | -178.3 | 178.9 | 0 | 0 | 0 | 0 | 110.3 | Y38 F40 C108 V109 | Y38-T117 WeakPolarHBondContact O-CG2 3.43Å; F40-T117 HydrophobicContact CD1-CG2 4.22Å; F40-T117 HydrophobicContact CE1-CG2 4.09Å; C108-T117 CarbonylContact C-O 3.59Å; C108-T117 VanDerWaalsContact CA-O 3.27Å; C108-T117 WeakPolarHBondContact CA-O 3.35Å; V109-T117 HydrophobicContact CB-CG2 3.98Å; V109-T117 HydrophobicContact CG2-CG2 3.84Å; V109-T117 PolarHBondContact N-O 3.28Å |
| 118 | C | 94.9 | Very high | 93.7 | Very high | 54 Ų | 54 | 50.4 Ų | 50.4 | 37% | 0.365 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 132.1 | 179.6 | -58.3 | 0 | 0 | 0 | 0 | 112 | I107 C108 | I107-C118 CarbonylContact O-C 3.55Å; I107-C118 WeakPolarHBondContact O-CA 3.37Å; C108-C118 HydrophobicContact CB-CB 4.11Å; C108-C118 WeakPolarHBondContact CB-SG 3.4Å; C108-C118 WeakPolarHBondContact SG-CB 3.21Å; C108-C118 CovalentContact SG-SG 2.04Å; C108-C118 PolarHBondContact SG-SG 2.71Å |
| 119 | K | 96 | Very high | 93.8 | Very high | 70 Ų | 70 | 50.2 Ų | 50.2 | 30% | 0.304 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 128.7 | 172.9 | -62.8 | -175.2 | -177.8 | -173 | 0 | 109.8 | F40 E60 I107 I121 | F40-K119 HydrophobicContact CD1-CD 4.43Å; F40-K119 HydrophobicContact CD2-CD 4.32Å; F40-K119 HydrophobicContact CE1-CB 4.41Å; F40-K119 HydrophobicContact CE1-CD 4.11Å; F40-K119 HydrophobicContact CE1-CG 3.86Å; F40-K119 HydrophobicContact CE2-CB 4.11Å; F40-K119 HydrophobicContact CE2-CD 4Å; F40-K119 HydrophobicContact CE2-CG 4.15Å; F40-K119 HydrophobicContact CZ-CB 3.67Å; F40-K119 HydrophobicContact CZ-CD 3.9Å; F40-K119 HydrophobicContact CZ-CG 3.6Å; F40-K119 WeakPolarHBondContact O-CE 3.43Å; F40-K119 PolarHBondContact O-NZ 3.39Å; E60-K119 IonicContact OE1-NZ 3.06Å; E60-K119 PolarHBondContact OE1-NZ 2.85Å; I107-K119 PolarHBondContact N-O 2.84Å; I107-K119 PolarHBondContact O-N 2.52Å; K119-I121 HydrophobicContact CB-CD1 3.95Å; K119-I121 HydrophobicContact CB-CG1 4.09Å |
| 120 | K | 96.9 | Very high | 93.9 | Very high | 162 Ų | 162 | 52.4 Ų | 52.4 | 70% | 0.704 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 105.7 | 175.7 | -74.9 | -178.5 | -179.1 | 171.2 | 0 | 110.7 | S105 N106 | S105-K120 CarbonylContact O-C 3.57Å; S105-K120 WeakPolarHBondContact O-CA 3.41Å; N106-K120 HydrophobicContact CB-CG 4.34Å; N106-K120 WeakPolarHBondContact OD1-CG 3.36Å |
| 121 | I | 96.6 | Very high | 94.1 | Very high | 27 Ų | 27 | 52.6 Ų | 52.6 | 14% | 0.138 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 138.7 | -167.9 | -60.3 | 178.7 | 0 | 0 | 0 | 110.2 | K104 S105 I107 K119 I126 | K104-I121 CarbonylContact C-O 3.54Å; K104-I121 WeakPolarHBondContact CA-O 3.42Å; S105-I121 PolarHBondContact N-O 3.48Å; S105-I121 PolarHBondContact O-N 2.83Å; I107-I121 HydrophobicContact CD1-CD1 4.3Å; K119-I121 HydrophobicContact CB-CD1 3.95Å; K119-I121 HydrophobicContact CB-CG1 4.09Å; I121-I126 HydrophobicContact CG2-CB 4.43Å; I121-I126 HydrophobicContact CG2-CD1 3.74Å; I121-I126 HydrophobicContact CG2-CG1 3.86Å; I121-I126 HydrophobicContact CG2-CG2 3.71Å |
| 122 | D | 96.7 | Very high | 94.4 | Very high | 30 Ų | 30 | 50.3 Ų | 50.3 | 16% | 0.16 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 119.4 | 166.8 | -168 | -52.5 | 0 | 0 | 0 | 108.6 | K104 T124 T125 | K104-D122 HydrophobicContact CG-CB 4.07Å; D122-T124 PolarHBondContact O-N 2.86Å; D122-T124 VanDerWaalsContact O-N 3.1Å; D122-T124 WeakPolarHBondContact OD1-CB 3.35Å; D122-T124 PolarHBondContact OD1-N 3.28Å; D122-T124 PolarHBondContact OD1-OG1 2.97Å; D122-T125 HydrophobicContact CB-CG2 3.98Å; D122-T125 PolarHBondContact O-N 3.38Å; D122-T125 PolarHBondContact O-OG1 3.48Å |
| 123 | L | 96.4 | Very high | 95 | Very high | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -17.4 | -174.7 | -57.8 | -177.4 | 0 | 0 | 0 | 113.4 | S44 L55 I73 F99 L101 T125 I126 | S44-L123 PolarHBondContact OG-O 2.67Å; L55-L123 HydrophobicContact CD1-CD2 4.09Å; L55-L123 HydrophobicContact CD2-CD2 3.83Å; I73-L123 HydrophobicContact CD1-CD1 4.15Å; I73-L123 HydrophobicContact CD1-CD2 4.11Å; F99-L123 HydrophobicContact CB-CD1 3.98Å; F99-L123 HydrophobicContact CD1-CD1 3.75Å; F99-L123 HydrophobicContact CD2-CD1 3.9Å; F99-L123 HydrophobicContact CE1-CD1 4.17Å; F99-L123 HydrophobicContact CE2-CD1 4.33Å; F99-L123 HydrophobicContact CG-CD1 3.61Å; F99-L123 HydrophobicContact CZ-CD1 4.44Å; L101-L123 HydrophobicContact CD2-CB 4.37Å; L123-T125 VanDerWaalsContact C-N 3.3Å; L123-I126 HydrophobicContact CD2-CD1 4.22Å |
| 124 | T | 96.1 | Very high | 95.8 | Very high | 11 Ų | 11 | 52.8 Ų | 52.8 | 7% | 0.067 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -10.9 | 174.2 | 69.3 | 0 | 0 | 0 | 0 | 113.6 | L101 D122 F213 K214 | L101-T124 HydrophobicContact CB-CG2 4.23Å; L101-T124 VanDerWaalsContact O-CG2 3.26Å; L101-T124 WeakPolarHBondContact O-CG2 3.36Å; D122-T124 PolarHBondContact O-N 2.86Å; D122-T124 VanDerWaalsContact O-N 3.1Å; D122-T124 WeakPolarHBondContact OD1-CB 3.35Å; D122-T124 PolarHBondContact OD1-N 3.28Å; D122-T124 PolarHBondContact OD1-OG1 2.97Å; T124-F213 HydrophobicContact CG2-CD1 4.28Å; T124-F213 HydrophobicContact CG2-CE1 3.94Å; T124-K214 PolarHBondContact O-N 2.87Å |
| 125 | T | 96.9 | Very high | 96.2 | Very high | 65 Ų | 65 | 45.7 Ų | 45.7 | 40% | 0.399 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -103.9 | -4 | -176.3 | 64.7 | 0 | 0 | 0 | 0 | 114.8 | D122 L123 K214 G215 | D122-T125 HydrophobicContact CB-CG2 3.98Å; D122-T125 PolarHBondContact O-N 3.38Å; D122-T125 PolarHBondContact O-OG1 3.48Å; L123-T125 VanDerWaalsContact C-N 3.3Å; T125-K214 CarbonylContact C-O 3.6Å; T125-K214 WeakPolarHBondContact CA-O 3.22Å; T125-K214 CarbonylContact O-C 3.59Å; T125-G215 WeakPolarHBondContact O-CA 3.37Å; T125-G215 PolarHBondContact O-N 2.88Å |
| 126 | I | 97.6 | Very high | 96.5 | Very high | 17 Ų | 17 | 44.6 Ų | 44.6 | 9% | 0.087 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -121.5 | 25.9 | 179.3 | 56.9 | 154 | 0 | 0 | 0 | 112.5 | C42 Y43 S44 L55 I121 L123 K214 F216 | C42-I126 HydrophobicContact CB-CD1 4.1Å; Y43-I126 CarbonylContact C-O 3.53Å; Y43-I126 VanDerWaalsContact CA-O 3.26Å; Y43-I126 WeakPolarHBondContact CA-O 3.4Å; S44-I126 PolarHBondContact N-O 3.3Å; L55-I126 HydrophobicContact CD1-CD1 3.66Å; I121-I126 HydrophobicContact CG2-CB 4.43Å; I121-I126 HydrophobicContact CG2-CD1 3.74Å; I121-I126 HydrophobicContact CG2-CG1 3.86Å; I121-I126 HydrophobicContact CG2-CG2 3.71Å; L123-I126 HydrophobicContact CD2-CD1 4.22Å; I126-K214 PolarHBondContact N-O 3.14Å; I126-F216 HydrophobicContact CB-CE2 3.91Å; I126-F216 HydrophobicContact CG2-CE2 4.25Å; I126-F216 HydrophobicContact CG2-CZ 4.45Å |
| 127 | V | 97.9 | Very high | 96.9 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | B | Isolated β-bridge | trans | -70.3 | 129.2 | -176.3 | 177.6 | 0 | 0 | 0 | 0 | 111.1 | S44 L46 V160 P209 F213 K214 G215 F216 | S44-V127 CarbonylContact O-C 3.53Å; S44-V127 WeakPolarHBondContact O-CA 3.17Å; S44-V127 WeakPolarHBondContact OG-CA 3.16Å; S44-V127 WeakPolarHBondContact OG-CG2 3.48Å; L46-V127 HydrophobicContact CD1-CG2 4.31Å; L46-V127 HydrophobicContact CG-CG2 4.45Å; V127-V160 HydrophobicContact CG1-CG1 4.27Å; V127-V160 HydrophobicContact CG1-CG2 4Å; V127-P209 HydrophobicContact CB-CG 3.89Å; V127-P209 HydrophobicContact CG1-CG 3.82Å; V127-P209 WeakPolarHBondContact O-CG 3.38Å; V127-F213 HydrophobicContact CG2-CB 4.34Å; V127-F213 HydrophobicContact CG2-CD1 4.01Å; V127-K214 WeakPolarHBondContact CB-O 3.39Å; V127-K214 PolarHBondContact N-O 2.93Å; V127-G215 CarbonylContact O-C 3.57Å; V127-G215 WeakPolarHBondContact O-CA 3.08Å; V127-F216 PolarHBondContact O-N 2.9Å |
| 128 | K | 98.1 | Very high | 97.1 | Very high | 35 Ų | 35 | 43.8 Ų | 43.8 | 15% | 0.152 | 23% | 0.23 | C | C | . | . | trans | -113.1 | 111.7 | 171 | -173.6 | 172.8 | -175.8 | 177.5 | 0 | 109.6 | Y43 S44 Q45 F216 W217 E219 | Y43-K128 HydrophobicContact CD1-CD 4.2Å; Y43-K128 HydrophobicContact CD2-CB 3.66Å; Y43-K128 HydrophobicContact CD2-CD 3.77Å; Y43-K128 HydrophobicContact CD2-CG 4.3Å; Y43-K128 HydrophobicContact CE1-CD 4.4Å; Y43-K128 HydrophobicContact CE2-CB 4.48Å; Y43-K128 HydrophobicContact CE2-CD 4Å; Y43-K128 HydrophobicContact CG-CB 3.99Å; Y43-K128 HydrophobicContact CG-CD 3.88Å; S44-K128 PolarHBondContact O-N 2.98Å; Q45-K128 WeakPolarHBondContact CG-O 3.34Å; Q45-K128 PolarHBondContact NE2-O 2.93Å; K128-F216 HydrophobicContact CB-CB 4.45Å; K128-F216 HydrophobicContact CG-CB 4.46Å; K128-W217 WeakPolarHBondContact CE-O 3.48Å; K128-E219 WeakPolarHBondContact CE-OE1 3.36Å; K128-E219 IonicContact NZ-OE1 2.89Å; K128-E219 PolarHBondContact NZ-OE1 2.84Å | ||
| 129 | P | 97.6 | Very high | 97.2 | Very high | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.019 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -61.9 | 159.6 | 178.6 | -22.4 | 33.8 | 0 | 0 | 0 | 112.7 | L163 P209 F216 S218 | P129-L163 HydrophobicContact CB-CD1 4.47Å; P129-L163 HydrophobicContact CB-CD2 4.06Å; P129-L163 HydrophobicContact CG-CD2 3.7Å; P129-P209 HydrophobicContact CG-CG 3.87Å; P129-F216 WeakPolarHBondContact CD-O 3.48Å; P129-S218 WeakPolarHBondContact O-CB 3.15Å |
| 130 | E | 97.2 | Very high | 97.2 | Very high | 47 Ų | 47 | 46.3 Ų | 46.3 | 22% | 0.22 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -68.4 | 147 | 164.1 | -77.1 | 154.5 | -145.3 | 0 | 0 | 110.2 | V48 S153 H154 K157 | V48-E130 WeakPolarHBondContact CA-OE1 3.35Å; E130-S153 VanDerWaalsContact OE2-CB 3.28Å; E130-S153 WeakPolarHBondContact OE2-CB 3.44Å; E130-S153 PolarHBondContact OE2-OG 3.03Å; E130-H154 PolarHBondContact N-NE2 2.99Å; E130-K157 VanDerWaalsContact CD-NZ 3.33Å; E130-K157 WeakPolarHBondContact OE1-CE 3.35Å; E130-K157 IonicContact OE1-NZ 3.95Å; E130-K157 PolarHBondContact OE1-NZ 2.87Å; E130-K157 WeakPolarHBondContact OE2-CE 3.47Å; E130-K157 IonicContact OE2-NZ 2.67Å; E130-K157 PolarHBondContact OE2-NZ 3.05Å |
| 131 | A | 97.8 | Very high | 96.9 | Very high | 35 Ų | 35 | 46 Ų | 46 | 29% | 0.289 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -65.6 | 143.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | E219 | A131-E219 HydrophobicContact CB-CB 4.25Å; A131-E219 WeakPolarHBondContact CB-O 3.14Å |
| 132 | P | 97.9 | Very high | 96.6 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 147.2 | 166.6 | -23.3 | 35 | 0 | 0 | 0 | 111.9 | F150 N151 V205 S207 S221 | P132-F150 HydrophobicContact CB-CD2 4.01Å; P132-N151 WeakPolarHBondContact CA-O 3.36Å; P132-V205 HydrophobicContact CB-CB 4.17Å; P132-V205 HydrophobicContact CB-CG1 4.36Å; P132-V205 HydrophobicContact CG-CB 4.16Å; P132-V205 HydrophobicContact CG-CG1 4.02Å; P132-S207 WeakPolarHBondContact CG-OG 3.15Å; P132-S221 WeakPolarHBondContact O-CA 3.25Å; P132-S221 WeakPolarHBondContact O-CB 3.01Å |
| 133 | F | 97.3 | Very high | 96.4 | Very high | 82 Ų | 82 | 49.6 Ų | 49.6 | 36% | 0.36 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | -179.1 | 179.3 | 61 | -84.2 | 0 | 0 | 0 | 110.4 | L135 N151 | F133-L135 PolarHBondContact O-N 2.87Å; F133-L135 VanDerWaalsContact O-N 3.15Å; F133-N151 HydrophobicContact CD2-CB 4.06Å; F133-N151 HydrophobicContact CE1-CB 4.47Å; F133-N151 HydrophobicContact CE2-CB 3.82Å; F133-N151 VanDerWaalsContact CE2-ND2 3.3Å; F133-N151 WeakPolarHBondContact CE2-ND2 3.38Å; F133-N151 HydrophobicContact CG-CB 4.46Å; F133-N151 HydrophobicContact CZ-CB 4.03Å; F133-N151 PolarHBondContact N-O 2.78Å; F133-N151 PolarHBondContact O-N 2.83Å |
| 134 | D | 97.4 | Very high | 96.3 | Very high | 107 Ų | 107 | 54 Ų | 54 | 57% | 0.572 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 48.6 | 39.1 | -175.7 | -53.6 | -26.3 | 0 | 0 | 0 | 114.2 | S136 N151 | D134-S136 PolarHBondContact O-N 2.89Å; D134-N151 HydrophobicContact CB-CB 3.96Å; D134-N151 PolarHBondContact OD2-ND2 3.27Å |
| 135 | L | 97.9 | Very high | 96.3 | Very high | 19 Ų | 19 | 54 Ų | 54 | 10% | 0.099 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 126.3 | 176.1 | 179.8 | 59.5 | 0 | 0 | 0 | 110 | F133 V148 T149 F150 I203 V205 Y224 | F133-L135 PolarHBondContact O-N 2.87Å; F133-L135 VanDerWaalsContact O-N 3.15Å; L135-V148 HydrophobicContact CD1-CG1 3.78Å; L135-T149 WeakPolarHBondContact CA-O 3.26Å; L135-F150 HydrophobicContact CD1-CB 4.12Å; L135-I203 HydrophobicContact CD2-CG2 4.4Å; L135-I203 VanDerWaalsContact CD2-O 3.3Å; L135-I203 WeakPolarHBondContact CD2-O 3.44Å; L135-V205 HydrophobicContact CD1-CG2 3.8Å; L135-V205 HydrophobicContact CD2-CG2 4.16Å; L135-Y224 WeakPolarHBondContact O-CD2 2.83Å |
| 136 | S | 97.6 | Very high | 96.3 | Very high | 39 Ų | 39 | 51.1 Ų | 51.1 | 27% | 0.273 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 146.3 | -177.4 | -171.7 | 0 | 0 | 0 | 0 | 110.6 | D134 V148 T149 | D134-S136 PolarHBondContact O-N 2.89Å; S136-V148 WeakPolarHBondContact O-CA 3.41Å; S136-T149 PolarHBondContact N-O 3.5Å; S136-T149 PolarHBondContact O-N 3.39Å |
| 137 | V | 97.8 | Very high | 96.3 | Very high | 16 Ų | 16 | 51 Ų | 51 | 10% | 0.097 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 119.8 | 178.8 | -174 | 0 | 0 | 0 | 0 | 108.8 | F146 V147 V148 I203 Y224 F226 | V137-F146 HydrophobicContact CG1-CB 3.93Å; V137-F146 HydrophobicContact CG1-CD1 3.94Å; V137-F146 HydrophobicContact CG1-CG 4.37Å; V137-V147 WeakPolarHBondContact CA-O 3.48Å; V137-V148 HydrophobicContact CG1-CG2 4.27Å; V137-V148 HydrophobicContact CG2-CG1 4.45Å; V137-V148 HydrophobicContact CG2-CG2 4.2Å; V137-I203 HydrophobicContact CG2-CG2 3.89Å; V137-Y224 HydrophobicContact CB-CD1 4.14Å; V137-Y224 HydrophobicContact CB-CE1 3.83Å; V137-Y224 HydrophobicContact CG2-CD1 3.63Å; V137-Y224 HydrophobicContact CG2-CE1 3.87Å; V137-Y224 HydrophobicContact CG2-CG 4.47Å; V137-F226 HydrophobicContact CB-CB 4.49Å; V137-F226 HydrophobicContact CB-CD1 4.35Å; V137-F226 HydrophobicContact CB-CG 4.36Å; V137-F226 HydrophobicContact CG1-CD1 4.16Å; V137-F226 HydrophobicContact CG1-CD2 4.08Å; V137-F226 HydrophobicContact CG1-CE1 4.36Å; V137-F226 HydrophobicContact CG1-CE2 4.28Å; V137-F226 HydrophobicContact CG1-CG 4.02Å; V137-F226 HydrophobicContact CG1-CZ 4.41Å; V137-F226 HydrophobicContact CG2-CD1 4.05Å; V137-F226 HydrophobicContact CG2-CE1 4.38Å |
| 138 | I | 96.9 | Very high | 96.3 | Very high | 96 Ų | 96 | 51 Ų | 51 | 49% | 0.492 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 116.1 | -177.5 | -57.5 | 176.7 | 0 | 0 | 0 | 109 | F146 V147 | I138-F146 WeakPolarHBondContact O-CA 3.49Å; I138-V147 PolarHBondContact N-O 2.83Å; I138-V147 PolarHBondContact O-N 3.01Å |
| 139 | Y | 96.3 | Very high | 96.3 | Very high | 70 Ų | 70 | 51.5 Ų | 51.5 | 28% | 0.275 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 140.6 | 171.8 | 178.9 | -121 | 0 | 0 | 0 | 111 | E141 D145 F146 Q192 P229 | Y139-E141 HydrophobicContact CD1-CG 4.04Å; Y139-E141 HydrophobicContact CE1-CB 4.34Å; Y139-E141 HydrophobicContact CE1-CG 3.49Å; Y139-E141 VanDerWaalsContact CE1-CG 3.49Å; Y139-D145 VanDerWaalsContact CD2-O 3.32Å; Y139-D145 WeakPolarHBondContact CD2-O 3.05Å; Y139-F146 HydrophobicContact CD2-CD1 4.06Å; Y139-F146 HydrophobicContact CD2-CD2 4.31Å; Y139-F146 AromaticContact CD2-CE1 3.74Å; Y139-F146 HydrophobicContact CD2-CE1 3.74Å; Y139-F146 AromaticContact CD2-CE2 4Å; Y139-F146 HydrophobicContact CD2-CE2 4Å; Y139-F146 HydrophobicContact CD2-CG 4.33Å; Y139-F146 AromaticContact CD2-CZ 3.7Å; Y139-F146 HydrophobicContact CD2-CZ 3.7Å; Y139-F146 HydrophobicContact CE2-CE2 4.4Å; Y139-F146 HydrophobicContact CE2-CZ 4.29Å; Y139-F146 HydrophobicContact CG-CD1 4.4Å; Y139-F146 HydrophobicContact CG-CE1 4.03Å; Y139-F146 HydrophobicContact CG-CZ 4.34Å; Y139-Q192 PolarHBondContact OH-OE1 3.31Å; Y139-P229 HydrophobicContact CE1-CG 4.05Å; Y139-P229 HydrophobicContact CE2-CG 4.22Å |
| 140 | R | 95.3 | Very high | 96.4 | Very high | 106 Ų | 106 | 52 Ų | 52 | 40% | 0.4 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 98.8 | 177.7 | -60.6 | -166.3 | -59.7 | 160.5 | -0.4 | 110 | G142 A143 N144 D145 V147 | R140-G142 PolarHBondContact O-N 3.37Å; R140-A143 HydrophobicContact CB-CB 4.14Å; R140-A143 CarbonylContact O-C 3.4Å; R140-A143 PolarHBondContact O-N 2.82Å; R140-N144 PolarHBondContact O-N 2.81Å; R140-D145 IonicContact CZ-OD1 2.75Å; R140-D145 VanDerWaalsContact CZ-OD1 3.25Å; R140-D145 IonicContact CZ-OD2 3.96Å; R140-D145 PolarHBondContact N-O 2.63Å; R140-D145 IonicContact NE-OD1 2.62Å; R140-D145 PolarHBondContact NE-OD1 2.84Å; R140-D145 IonicContact NE-OD2 2.94Å; R140-D145 IonicContact NH2-OD1 3.63Å; R140-D145 PolarHBondContact NH2-OD1 2.83Å; R140-D145 IonicContact NH2-OD2 3.25Å; R140-D145 PolarHBondContact NH2-OD2 3.14Å; R140-V147 HydrophobicContact CG-CG2 4.23Å; R140-V147 VanDerWaalsContact NE-CG2 3.32Å |
| 141 | E | 90.5 | Very high | 96.3 | Very high | 155 Ų | 155 | 52.5 Ų | 52.5 | 72% | 0.724 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -49.8 | -54.1 | 179.3 | -73.1 | 168.8 | -168.8 | 0 | 0 | 112.5 | Y139 A143 N144 | Y139-E141 HydrophobicContact CD1-CG 4.04Å; Y139-E141 HydrophobicContact CE1-CB 4.34Å; Y139-E141 HydrophobicContact CE1-CG 3.49Å; Y139-E141 VanDerWaalsContact CE1-CG 3.49Å; E141-A143 PolarHBondContact O-N 2.93Å; E141-N144 PolarHBondContact O-N 2.73Å |
| 142 | G | 90.6 | Very high | 96.3 | Very high | 91 Ų | 91 | 51 Ų | 51 | 94% | 0.938 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -69.4 | 8.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | R140 | R140-G142 PolarHBondContact O-N 3.37Š|
| 143 | A | 93.1 | Very high | 96.1 | Very high | 43 Ų | 43 | 52.2 Ų | 52.2 | 36% | 0.355 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -134.3 | -4.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | R140 E141 D145 | R140-A143 HydrophobicContact CB-CB 4.14Å; R140-A143 CarbonylContact O-C 3.4Å; R140-A143 PolarHBondContact O-N 2.82Å; E141-A143 PolarHBondContact O-N 2.93Å; A143-D145 PolarHBondContact O-N 3Å |
| 144 | N | 93.9 | Very high | 96 | Very high | 94 Ų | 94 | 48.5 Ų | 48.5 | 50% | 0.503 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.2 | 44.2 | -174 | -62.4 | 99.7 | 0 | 0 | 0 | 113.1 | R140 E141 Q192 | R140-N144 PolarHBondContact O-N 2.81Å; E141-N144 PolarHBondContact O-N 2.73Å; N144-Q192 HydrophobicContact CB-CB 4.38Å; N144-Q192 PolarHBondContact ND2-OE1 2.82Å; N144-Q192 WeakPolarHBondContact O-CB 3.27Å; N144-Q192 PolarHBondContact O-N 2.96Å |
| 145 | D | 96.4 | Very high | 95.6 | Very high | 13 Ų | 13 | 48.5 Ų | 48.5 | 7% | 0.07 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 163.9 | 179.4 | 72.5 | 30.5 | 0 | 0 | 0 | 113.8 | Y139 R140 A143 T189 L190 L191 | Y139-D145 VanDerWaalsContact CD2-O 3.32Å; Y139-D145 WeakPolarHBondContact CD2-O 3.05Å; R140-D145 IonicContact CZ-OD1 2.75Å; R140-D145 VanDerWaalsContact CZ-OD1 3.25Å; R140-D145 IonicContact CZ-OD2 3.96Å; R140-D145 PolarHBondContact N-O 2.63Å; R140-D145 IonicContact NE-OD1 2.62Å; R140-D145 PolarHBondContact NE-OD1 2.84Å; R140-D145 IonicContact NE-OD2 2.94Å; R140-D145 IonicContact NH2-OD1 3.63Å; R140-D145 PolarHBondContact NH2-OD1 2.83Å; R140-D145 IonicContact NH2-OD2 3.25Å; R140-D145 PolarHBondContact NH2-OD2 3.14Å; A143-D145 PolarHBondContact O-N 3Å; D145-T189 HydrophobicContact CB-CG2 3.68Å; D145-T189 VanDerWaalsContact CG-CG2 3.43Å; D145-T189 WeakPolarHBondContact OD2-CG2 3.35Å; D145-L190 WeakPolarHBondContact CA-O 3.46Å; D145-L190 WeakPolarHBondContact CB-O 3.48Å; D145-L191 HydrophobicContact CB-CD2 4.19Å |
| 146 | F | 97.4 | Very high | 95.3 | Very high | 4 Ų | 4 | 56 Ų | 56 | 2% | 0.018 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 119 | 174.5 | -61.1 | -95.6 | 0 | 0 | 0 | 108.7 | V137 I138 Y139 T189 L190 Q192 L195 F226 T228 | V137-F146 HydrophobicContact CG1-CB 3.93Å; V137-F146 HydrophobicContact CG1-CD1 3.94Å; V137-F146 HydrophobicContact CG1-CG 4.37Å; I138-F146 WeakPolarHBondContact O-CA 3.49Å; Y139-F146 HydrophobicContact CD2-CD1 4.06Å; Y139-F146 HydrophobicContact CD2-CD2 4.31Å; Y139-F146 AromaticContact CD2-CE1 3.74Å; Y139-F146 HydrophobicContact CD2-CE1 3.74Å; Y139-F146 AromaticContact CD2-CE2 4Å; Y139-F146 HydrophobicContact CD2-CE2 4Å; Y139-F146 HydrophobicContact CD2-CG 4.33Å; Y139-F146 AromaticContact CD2-CZ 3.7Å; Y139-F146 HydrophobicContact CD2-CZ 3.7Å; Y139-F146 HydrophobicContact CE2-CE2 4.4Å; Y139-F146 HydrophobicContact CE2-CZ 4.29Å; Y139-F146 HydrophobicContact CG-CD1 4.4Å; Y139-F146 HydrophobicContact CG-CE1 4.03Å; Y139-F146 HydrophobicContact CG-CZ 4.34Å; F146-T189 CarbonylContact O-C 3.57Å; F146-T189 WeakPolarHBondContact O-CA 3.37Å; F146-L190 HydrophobicContact CB-CB 4.36Å; F146-L190 PolarHBondContact N-O 2.91Å; F146-L190 PolarHBondContact O-N 2.88Å; F146-Q192 HydrophobicContact CE2-CB 4.17Å; F146-Q192 HydrophobicContact CE2-CG 4.37Å; F146-L195 HydrophobicContact CD2-CD1 3.73Å; F146-L195 HydrophobicContact CE2-CD1 3.76Å; F146-F226 AromaticContact CD1-CD2 3.94Å; F146-F226 HydrophobicContact CD1-CD2 3.94Å; F146-F226 AromaticContact CD1-CE2 3.84Å; F146-F226 HydrophobicContact CD1-CE2 3.84Å; F146-F226 AromaticContact CE1-CD2 3.84Å; F146-F226 HydrophobicContact CE1-CD2 3.84Å; F146-F226 AromaticContact CE1-CE2 3.9Å; F146-F226 HydrophobicContact CE1-CE2 3.9Å; F146-F226 HydrophobicContact CG-CE2 4.19Å; F146-F226 HydrophobicContact CZ-CE2 4.32Å; F146-T228 HydrophobicContact CE2-CG2 4.12Å; F146-T228 HydrophobicContact CZ-CG2 3.81Å |
| 147 | V | 97.9 | Very high | 95.1 | Very high | 14 Ų | 14 | 54.9 Ų | 54.9 | 9% | 0.085 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 113.4 | 170.4 | 173.7 | 0 | 0 | 0 | 0 | 108.1 | V137 I138 R140 T149 K187 | V137-V147 WeakPolarHBondContact CA-O 3.48Å; I138-V147 PolarHBondContact N-O 2.83Å; I138-V147 PolarHBondContact O-N 3.01Å; R140-V147 HydrophobicContact CG-CG2 4.23Å; R140-V147 VanDerWaalsContact NE-CG2 3.32Å; V147-T149 HydrophobicContact CG1-CG2 4.05Å; V147-K187 HydrophobicContact CG1-CD 4.43Å; V147-K187 HydrophobicContact CG1-CG 4.29Å |
| 148 | V | 98.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 127.2 | 173.7 | -177.6 | 0 | 0 | 0 | 0 | 107.9 | L135 S136 V137 K187 L188 L190 I203 | L135-V148 HydrophobicContact CD1-CG1 3.78Å; S136-V148 WeakPolarHBondContact O-CA 3.41Å; V137-V148 HydrophobicContact CG1-CG2 4.27Å; V137-V148 HydrophobicContact CG2-CG1 4.45Å; V137-V148 HydrophobicContact CG2-CG2 4.2Å; V148-K187 WeakPolarHBondContact O-CA 3.21Å; V148-L188 HydrophobicContact CB-CB 4.23Å; V148-L188 PolarHBondContact N-O 2.9Å; V148-L188 PolarHBondContact O-N 3.14Å; V148-L190 HydrophobicContact CG2-CD1 3.95Å; V148-L190 HydrophobicContact CG2-CG 4.15Å; V148-I203 HydrophobicContact CB-CD1 4.5Å; V148-I203 HydrophobicContact CG1-CD1 3.84Å; V148-I203 HydrophobicContact CG2-CD1 3.86Å |
| 149 | T | 98.2 | Very high | 94.5 | Very high | 47 Ų | 47 | 60.6 Ų | 60.6 | 29% | 0.288 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 146.2 | 176 | 46.8 | 0 | 0 | 0 | 0 | 110.7 | L135 S136 V147 T186 K187 | L135-T149 WeakPolarHBondContact CA-O 3.26Å; S136-T149 PolarHBondContact N-O 3.5Å; S136-T149 PolarHBondContact O-N 3.39Å; V147-T149 HydrophobicContact CG1-CG2 4.05Å; T149-T186 WeakPolarHBondContact CA-O 3.4Å; T149-K187 HydrophobicContact CG2-CB 4.21Å; T149-K187 HydrophobicContact CG2-CD 4.5Å; T149-K187 HydrophobicContact CG2-CG 3.97Å |
| 150 | F | 97.9 | Very high | 94.3 | Very high | 12 Ų | 12 | 57.3 Ų | 57.3 | 5% | 0.053 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 170.1 | 175.5 | 54.3 | -90.8 | 0 | 0 | 0 | 109.9 | P132 L135 H165 V167 S185 T186 V205 | P132-F150 HydrophobicContact CB-CD2 4.01Å; L135-F150 HydrophobicContact CD1-CB 4.12Å; F150-H165 HydrophobicContact CE2-CB 4.18Å; F150-H165 AromaticContact CE2-CD2 3.7Å; F150-H165 AromaticContact CE2-CE1 3.95Å; F150-H165 AromaticContact CE2-CG 3.63Å; F150-H165 AromaticContact CE2-ND1 3.8Å; F150-H165 AromaticContact CE2-NE2 3.89Å; F150-H165 HydrophobicContact CZ-CB 3.79Å; F150-H165 AromaticContact CZ-CD2 3.71Å; F150-H165 AromaticContact CZ-CG 3.66Å; F150-V167 HydrophobicContact CE1-CG2 3.99Å; F150-S185 WeakPolarHBondContact CZ-O 3.4Å; F150-T186 HydrophobicContact CD2-CG2 4.21Å; F150-T186 HydrophobicContact CE2-CG2 3.98Å; F150-T186 PolarHBondContact N-O 3.28Å; F150-T186 WeakPolarHBondContact O-CB 3.43Å; F150-V205 HydrophobicContact CD1-CG1 4.15Å; F150-V205 HydrophobicContact CD1-CG2 3.93Å; F150-V205 HydrophobicContact CD2-CG1 4.29Å; F150-V205 HydrophobicContact CE1-CG1 3.92Å; F150-V205 HydrophobicContact CE1-CG2 4.32Å; F150-V205 HydrophobicContact CE2-CG1 4.06Å; F150-V205 HydrophobicContact CG-CG1 4.33Å; F150-V205 HydrophobicContact CG-CG2 4.31Å; F150-V205 HydrophobicContact CZ-CG1 3.87Å |
| 151 | N | 97.1 | Very high | 94.1 | Very high | 58 Ų | 58 | 58 Ų | 58 | 31% | 0.31 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 156.7 | -177.7 | -160.1 | 0.1 | 0 | 0 | 0 | 110.9 | P132 F133 D134 | P132-N151 WeakPolarHBondContact CA-O 3.36Å; F133-N151 HydrophobicContact CD2-CB 4.06Å; F133-N151 HydrophobicContact CE1-CB 4.47Å; F133-N151 HydrophobicContact CE2-CB 3.82Å; F133-N151 VanDerWaalsContact CE2-ND2 3.3Å; F133-N151 WeakPolarHBondContact CE2-ND2 3.38Å; F133-N151 HydrophobicContact CG-CB 4.46Å; F133-N151 HydrophobicContact CZ-CB 4.03Å; F133-N151 PolarHBondContact N-O 2.78Å; F133-N151 PolarHBondContact O-N 2.83Å; D134-N151 HydrophobicContact CB-CB 3.96Å; D134-N151 PolarHBondContact OD2-ND2 3.27Å |
| 152 | T | 96.2 | Very high | 94.2 | Very high | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.018 | 30% | 0.296 | C | S | . | . | trans | -151.9 | 136.6 | 174.2 | -175.2 | 0 | 0 | 0 | 0 | 111.2 | H154 L155 T186 | T152-H154 HydrophobicContact CG2-CB 4.33Å; T152-H154 PolarHBondContact O-N 3.48Å; T152-H154 PolarHBondContact OG1-N 2.77Å; T152-L155 HydrophobicContact CG2-CD1 4.35Å; T152-L155 HydrophobicContact CG2-CG 3.95Å; T152-T186 HydrophobicContact CG2-CG2 4.17Å | ||
| 153 | S | 95.2 | Very high | 94.5 | Very high | 27 Ų | 27 | 49.8 Ų | 49.8 | 19% | 0.189 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -61.4 | -24.8 | 177 | 58.3 | 0 | 0 | 0 | 0 | 112.5 | E130 L155 Q156 K157 | E130-S153 VanDerWaalsContact OE2-CB 3.28Å; E130-S153 WeakPolarHBondContact OE2-CB 3.44Å; E130-S153 PolarHBondContact OE2-OG 3.03Å; S153-L155 PolarHBondContact O-N 2.98Å; S153-Q156 PolarHBondContact O-N 3.47Å; S153-K157 PolarHBondContact O-N 2.96Å; S153-K157 WeakPolarHBondContact OG-CE 3.5Å |
| 154 | H | 94.3 | Very high | 94.7 | Very high | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.019 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -63.3 | -22.8 | -174.9 | -78.3 | -99.8 | 0 | 0 | 0 | 114.5 | E130 T152 Q156 K157 V160 L163 | E130-H154 PolarHBondContact N-NE2 2.99Å; T152-H154 HydrophobicContact CG2-CB 4.33Å; T152-H154 PolarHBondContact O-N 3.48Å; T152-H154 PolarHBondContact OG1-N 2.77Å; H154-Q156 PolarHBondContact O-N 3.04Å; H154-K157 PolarHBondContact O-N 2.82Å; H154-V160 WeakPolarHBondContact CB-O 3.41Å; H154-V160 PolarHBondContact ND1-O 3.32Å; H154-L163 HydrophobicContact CB-CD1 3.55Å; H154-L163 HydrophobicContact CB-CG 4.27Å |
| 155 | L | 90 | Very high | 94.9 | Very high | 107 Ų | 107 | 46.6 Ų | 46.6 | 56% | 0.56 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -63.5 | -25 | 171.4 | -65.7 | 175.5 | 0 | 0 | 0 | 113 | T152 S153 T186 | T152-L155 HydrophobicContact CG2-CD1 4.35Å; T152-L155 HydrophobicContact CG2-CG 3.95Å; S153-L155 PolarHBondContact O-N 2.98Å; L155-T186 HydrophobicContact CD1-CG2 4.15Å |
| 156 | Q | 90.3 | Very high | 95 | Very high | 178 Ų | 178 | 46.1 Ų | 46.1 | 83% | 0.832 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -21.2 | -177.3 | -56.5 | -177.4 | 14 | 0 | 0 | 113.3 | S153 H154 | S153-Q156 PolarHBondContact O-N 3.47Å; H154-Q156 PolarHBondContact O-N 3.04Å |
| 157 | K | 93.5 | Very high | 95 | Very high | 14 Ų | 14 | 45.9 Ų | 45.9 | 6% | 0.061 | 22% | 0.224 | C | C | . | . | trans | -63.5 | 155.6 | 177.8 | -68.6 | 178.3 | -171.6 | -85 | 0 | 111.5 | L46 E47 E130 S153 H154 K161 | L46-K157 PolarHBondContact O-NZ 3.48Å; E47-K157 VanDerWaalsContact C-NZ 3.26Å; E47-K157 HydrophobicContact CB-CB 4.47Å; E47-K157 HydrophobicContact CB-CD 4.32Å; E47-K157 HydrophobicContact CB-CG 4.09Å; E47-K157 PolarHBondContact O-NZ 3.14Å; E130-K157 VanDerWaalsContact CD-NZ 3.33Å; E130-K157 WeakPolarHBondContact OE1-CE 3.35Å; E130-K157 IonicContact OE1-NZ 3.95Å; E130-K157 PolarHBondContact OE1-NZ 2.87Å; E130-K157 WeakPolarHBondContact OE2-CE 3.47Å; E130-K157 IonicContact OE2-NZ 2.67Å; E130-K157 PolarHBondContact OE2-NZ 3.05Å; S153-K157 PolarHBondContact O-N 2.96Å; S153-K157 WeakPolarHBondContact OG-CE 3.5Å; H154-K157 PolarHBondContact O-N 2.82Å; K157-K161 WeakPolarHBondContact O-CE 3.38Å; K157-K161 VanDerWaalsContact O-CG 3.27Å; K157-K161 WeakPolarHBondContact O-CG 3.4Å | ||
| 158 | K | 91.8 | Very high | 95 | Very high | 139 Ų | 139 | 45.2 Ų | 45.2 | 60% | 0.604 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -79.2 | -43.3 | 177.5 | -170.8 | -173.6 | 174.6 | -167.3 | 0 | 112.4 | E47 | E47-K158 VanDerWaalsContact CD-N 3.27Å; E47-K158 WeakPolarHBondContact OE1-CB 3.27Å; E47-K158 PolarHBondContact OE1-N 2.65Å; E47-K158 WeakPolarHBondContact OE2-CA 3.16Å; E47-K158 PolarHBondContact OE2-N 2.97Å |
| 159 | Y | 90 | Very high | 94.9 | Very high | 93 Ų | 93 | 46.3 Ų | 46.3 | 37% | 0.365 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -91.5 | -69.5 | -168.7 | -61.5 | -68.5 | 0 | 0 | 0 | 113.1 | E47 H53 L101 K161 F213 | E47-Y159 HydrophobicContact CG-CD2 3.91Å; E47-Y159 HydrophobicContact CG-CE2 4.31Å; E47-Y159 WeakPolarHBondContact OE2-CD2 3.29Å; E47-Y159 PolarHBondContact OE2-N 3.41Å; H53-Y159 AromaticContact CE1-CD2 3.81Å; H53-Y159 AromaticContact CE1-CE2 3.65Å; L101-Y159 HydrophobicContact CD1-CD2 4.38Å; L101-Y159 HydrophobicContact CD1-CE2 4.32Å; Y159-K161 VanDerWaalsContact C-N 3.3Å; Y159-K161 PolarHBondContact O-N 2.75Å; Y159-F213 WeakPolarHBondContact O-CE2 3.49Å |
| 160 | V | 92.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | trans | -86.7 | 70.7 | -171 | -168.2 | 0 | 0 | 0 | 0 | 109.8 | L46 V127 H154 L163 P209 F213 | L46-V160 HydrophobicContact CB-CG2 3.96Å; L46-V160 HydrophobicContact CD1-CG2 3.69Å; L46-V160 HydrophobicContact CG-CG2 4.05Å; V127-V160 HydrophobicContact CG1-CG1 4.27Å; V127-V160 HydrophobicContact CG1-CG2 4Å; H154-V160 WeakPolarHBondContact CB-O 3.41Å; H154-V160 PolarHBondContact ND1-O 3.32Å; V160-L163 HydrophobicContact CG1-CD2 3.92Å; V160-P209 HydrophobicContact CG1-CB 4.42Å; V160-F213 HydrophobicContact CB-CD2 4.49Å; V160-F213 HydrophobicContact CG2-CD1 4.34Å; V160-F213 HydrophobicContact CG2-CD2 4.05Å; V160-F213 HydrophobicContact CG2-CE2 4.27Å; V160-F213 HydrophobicContact CG2-CG 4.09Å | ||
| 161 | K | 91.6 | Very high | 94.6 | Very high | 120 Ų | 120 | 47.6 Ų | 47.6 | 52% | 0.522 | 23% | 0.226 | S | C | . | . | trans | -86.5 | -37 | -177.9 | -71.4 | -174.9 | 172.4 | -172.7 | 0 | 114.5 | K157 Y159 | K157-K161 WeakPolarHBondContact O-CE 3.38Å; K157-K161 VanDerWaalsContact O-CG 3.27Å; K157-K161 WeakPolarHBondContact O-CG 3.4Å; Y159-K161 VanDerWaalsContact C-N 3.3Å; Y159-K161 PolarHBondContact O-N 2.75Å | ||
| 162 | V | 92.6 | Very high | 94.2 | Very high | 68 Ų | 68 | 49.1 Ų | 49.1 | 41% | 0.412 | 23% | 0.231 | S | C | . | . | trans | -94.7 | 125 | -176.8 | -165.6 | 0 | 0 | 0 | 0 | 108.7 | D210 | V162-D210 HydrophobicContact CG1-CB 4.15Å; V162-D210 PolarHBondContact O-N 3.25Å | ||
| 163 | L | 96.2 | Very high | 93.7 | Very high | 6 Ų | 6 | 57.1 Ų | 57.1 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 149.8 | -180 | -63.1 | 177.1 | 0 | 0 | 0 | 108.7 | P129 H154 V160 I208 | P129-L163 HydrophobicContact CB-CD1 4.47Å; P129-L163 HydrophobicContact CB-CD2 4.06Å; P129-L163 HydrophobicContact CG-CD2 3.7Å; H154-L163 HydrophobicContact CB-CD1 3.55Å; H154-L163 HydrophobicContact CB-CG 4.27Å; V160-L163 HydrophobicContact CG1-CD2 3.92Å; L163-I208 WeakPolarHBondContact CA-O 3.28Å |
| 164 | M | 97.4 | Very high | 93.1 | Very high | 63 Ų | 63 | 59.9 Ų | 59.9 | 31% | 0.31 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 126.6 | 157.8 | -179 | 174.8 | 63 | 0 | 0 | 108 | N182 S207 I208 W217 | M164-N182 HydrophobicContact CG-CB 4.32Å; M164-N182 HydrophobicContact SD-CB 4.02Å; M164-S207 CarbonylContact O-C 3.56Å; M164-S207 WeakPolarHBondContact O-CA 3.49Å; M164-I208 HydrophobicContact CB-CG2 3.97Å; M164-I208 HydrophobicContact CE-CG2 3.78Å; M164-I208 PolarHBondContact N-O 3.4Å; M164-I208 PolarHBondContact O-N 2.83Å; M164-W217 HydrophobicContact CE-CH2 4.12Å; M164-W217 HydrophobicContact CE-CZ2 4.45Å |
| 165 | H | 97.9 | Very high | 92.2 | Very high | 7 Ų | 7 | 66.9 Ų | 66.9 | 3% | 0.032 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 141.4 | 174.7 | -53 | -64.7 | 0 | 0 | 0 | 110 | F150 N182 L183 V205 R206 S207 | F150-H165 HydrophobicContact CE2-CB 4.18Å; F150-H165 AromaticContact CE2-CD2 3.7Å; F150-H165 AromaticContact CE2-CE1 3.95Å; F150-H165 AromaticContact CE2-CG 3.63Å; F150-H165 AromaticContact CE2-ND1 3.8Å; F150-H165 AromaticContact CE2-NE2 3.89Å; F150-H165 HydrophobicContact CZ-CB 3.79Å; F150-H165 AromaticContact CZ-CD2 3.71Å; F150-H165 AromaticContact CZ-CG 3.66Å; H165-N182 CarbonylContact O-C 3.6Å; H165-N182 VanDerWaalsContact O-CA 3.27Å; H165-N182 WeakPolarHBondContact O-CA 3.45Å; H165-L183 HydrophobicContact CB-CD2 4Å; H165-L183 WeakPolarHBondContact CB-O 3.44Å; H165-L183 PolarHBondContact N-O 3.05Å; H165-L183 PolarHBondContact O-N 3.49Å; H165-V205 HydrophobicContact CB-CG1 4.22Å; H165-R206 CarbonylContact C-O 3.58Å; H165-R206 VanDerWaalsContact CA-O 3.29Å; H165-R206 WeakPolarHBondContact CA-O 3.48Å; H165-S207 PolarHBondContact CE1-OG 3.22Å; H165-S207 PolarHBondContact ND1-OG 3.45Å |
| 166 | D | 98.3 | Very high | 91.6 | Very high | 3 Ų | 3 | 69.2 Ų | 69.2 | 2% | 0.016 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 110.6 | 170.9 | 167.3 | 22.8 | 0 | 0 | 0 | 107.8 | H180 V205 R206 W217 | D166-H180 IonicContact OD1-CE1 2.85Å; D166-H180 IonicContact OD1-CG 2.7Å; D166-H180 IonicContact OD1-ND1 2.74Å; D166-H180 PolarHBondContact OD1-ND1 3.29Å; D166-H180 IonicContact OD2-CE1 3.83Å; D166-H180 IonicContact OD2-ND1 3.17Å; D166-H180 PolarHBondContact OD2-ND1 3.23Å; D166-V205 WeakPolarHBondContact O-CA 3.19Å; D166-R206 HydrophobicContact CB-CG 3.97Å; D166-R206 PolarHBondContact N-O 3.31Å; D166-R206 PolarHBondContact O-N 3.02Å; D166-R206 IonicContact OD2-CZ 3.21Å; D166-R206 IonicContact OD2-NE 2.72Å; D166-R206 PolarHBondContact OD2-NE 3.2Å; D166-R206 IonicContact OD2-NH2 3.01Å; D166-R206 PolarHBondContact OD2-NH2 2.96Å; D166-W217 HydrophobicContact CB-CE3 4.34Å; D166-W217 HydrophobicContact CB-CH2 3.5Å; D166-W217 VanDerWaalsContact CB-CH2 3.5Å; D166-W217 HydrophobicContact CB-CZ2 4.36Å; D166-W217 HydrophobicContact CB-CZ3 3.48Å; D166-W217 VanDerWaalsContact CB-CZ3 3.48Å |
| 167 | V | 98.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 112.2 | 173.8 | 177.3 | 0 | 0 | 0 | 0 | 108 | F150 H180 V181 L183 L188 I203 V205 | F150-V167 HydrophobicContact CE1-CG2 3.99Å; V167-H180 CarbonylContact O-C 3.59Å; V167-H180 WeakPolarHBondContact O-CA 3.41Å; V167-V181 PolarHBondContact N-O 3.2Å; V167-V181 PolarHBondContact O-N 3.19Å; V167-L183 HydrophobicContact CB-CD2 4.42Å; V167-L183 HydrophobicContact CG2-CD2 3.52Å; V167-L188 HydrophobicContact CB-CD2 4.06Å; V167-L188 HydrophobicContact CG1-CD2 3.89Å; V167-L188 HydrophobicContact CG2-CD2 4.23Å; V167-I203 HydrophobicContact CG1-CD1 3.7Å; V167-I203 HydrophobicContact CG1-CG1 3.92Å; V167-V205 HydrophobicContact CB-CG2 4.45Å; V167-V205 HydrophobicContact CG1-CG2 4.34Å; V167-V205 HydrophobicContact CG2-CB 4.42Å; V167-V205 HydrophobicContact CG2-CG1 3.77Å; V167-V205 HydrophobicContact CG2-CG2 3.87Å |
| 168 | A | 97.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 127.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110 | W178 M179 I203 K204 W220 | A168-W178 HydrophobicContact CB-CD2 4.37Å; A168-W178 HydrophobicContact CB-CE3 3.61Å; A168-W178 HydrophobicContact CB-CZ3 4.11Å; A168-W178 WeakPolarHBondContact O-CZ3 3.46Å; A168-M179 CarbonylContact C-O 3.58Å; A168-M179 WeakPolarHBondContact CA-O 3.45Å; A168-I203 WeakPolarHBondContact O-CA 3.38Å; A168-K204 HydrophobicContact CB-CG 4.39Å; A168-K204 PolarHBondContact N-O 2.88Å; A168-K204 PolarHBondContact O-N 2.95Å; A168-W220 HydrophobicContact CB-CH2 3.52Å; A168-W220 HydrophobicContact CB-CZ3 3.66Å |
| 169 | Y | 96.3 | Very high | 91.8 | Very high | 23 Ų | 23 | 67.3 Ų | 67.3 | 9% | 0.09 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 152.3 | 175.1 | 67.1 | -79 | 0 | 0 | 0 | 112.8 | M179 V181 L190 L195 Y201 E202 | Y169-M179 HydrophobicContact CD1-CB 4.17Å; Y169-M179 WeakPolarHBondContact CD1-O 3.33Å; Y169-M179 HydrophobicContact CD2-CB 4.41Å; Y169-M179 HydrophobicContact CD2-CE 3.73Å; Y169-M179 HydrophobicContact CE1-CB 3.82Å; Y169-M179 HydrophobicContact CE2-CB 4.06Å; Y169-M179 HydrophobicContact CE2-CE 3.41Å; Y169-M179 VanDerWaalsContact CE2-CE 3.41Å; Y169-M179 HydrophobicContact CE2-SD 3.81Å; Y169-M179 HydrophobicContact CG-CB 4.45Å; Y169-M179 PolarHBondContact N-O 2.96Å; Y169-M179 WeakPolarHBondContact O-CB 3.38Å; Y169-M179 PolarHBondContact O-N 3.33Å; Y169-V181 HydrophobicContact CE1-CG2 3.99Å; Y169-L190 HydrophobicContact CD1-CD1 4.4Å; Y169-L190 HydrophobicContact CD2-CD1 4.32Å; Y169-L190 HydrophobicContact CE1-CD1 4.4Å; Y169-L190 HydrophobicContact CE1-CD2 3.87Å; Y169-L190 HydrophobicContact CE2-CD1 4.33Å; Y169-L190 HydrophobicContact CG-CD1 4.36Å; Y169-L195 HydrophobicContact CD2-CD2 4.23Å; Y169-L195 HydrophobicContact CE2-CD2 3.67Å; Y169-Y201 HydrophobicContact CD2-CD1 4.23Å; Y169-Y201 HydrophobicContact CD2-CE1 4.38Å; Y169-E202 CarbonylContact C-O 3.56Å; Y169-E202 WeakPolarHBondContact CA-O 3.34Å |
| 170 | R | 95.3 | Very high | 92.1 | Very high | 46 Ų | 46 | 67.6 Ų | 67.6 | 17% | 0.174 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 162 | 178.4 | 61.1 | 169.7 | 178.6 | 172.6 | 1.5 | 111.1 | D174 E175 W178 Y201 E202 | R170-D174 WeakPolarHBondContact CD-O 3.32Å; R170-E175 PolarHBondContact NH1-O 2.92Å; R170-W178 HydrophobicContact CB-CD2 4.36Å; R170-W178 HydrophobicContact CB-CE3 4.23Å; R170-W178 HydrophobicContact CG-CD2 4.07Å; R170-W178 HydrophobicContact CG-CE3 3.93Å; R170-W178 HydrophobicContact CG-CH2 3.97Å; R170-W178 HydrophobicContact CG-CZ2 4.07Å; R170-W178 HydrophobicContact CG-CZ3 3.9Å; R170-Y201 CarbonylContact O-C 3.5Å; R170-Y201 VanDerWaalsContact O-CA 3.28Å; R170-Y201 WeakPolarHBondContact O-CA 3.23Å; R170-Y201 WeakPolarHBondContact O-CD1 3.43Å; R170-E202 HydrophobicContact CG-CB 4.22Å; R170-E202 IonicContact CZ-OE2 2.81Å; R170-E202 PolarHBondContact N-O 2.87Å; R170-E202 IonicContact NE-OE2 2.68Å; R170-E202 PolarHBondContact NE-OE2 3.06Å; R170-E202 IonicContact NH2-OE2 3.7Å; R170-E202 PolarHBondContact NH2-OE2 2.79Å; R170-E202 PolarHBondContact O-N 2.79Å |
| 171 | Q | 94.2 | Very high | 92.3 | Very high | 40 Ų | 40 | 69.5 Ų | 69.5 | 19% | 0.187 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 137.9 | 163.4 | -173.4 | 166.7 | -8.4 | 0 | 0 | 108.5 | K173 D174 A199 M200 Y201 | Q171-K173 PolarHBondContact O-N 2.76Å; Q171-K173 VanDerWaalsContact O-N 3.15Å; Q171-D174 HydrophobicContact CB-CB 4.28Å; Q171-D174 PolarHBondContact O-N 2.9Å; Q171-A199 HydrophobicContact CG-CB 4.4Å; Q171-M200 WeakPolarHBondContact CA-O 3.16Å; Q171-Y201 HydrophobicContact CB-CE1 4.24Å |
| 172 | E | 90.4 | Very high | 92.6 | Very high | 89 Ų | 89 | 68.6 Ų | 68.6 | 42% | 0.416 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -31.9 | -175.9 | -179.5 | -179.2 | -129.2 | 0 | 0 | 112.8 | M200 | E172-M200 HydrophobicContact CB-CB 3.87Å; E172-M200 PolarHBondContact N-O 3.22Å; E172-M200 WeakPolarHBondContact OE2-CB 3.49Å |
| 173 | K | 84.6 | Confident | 92.8 | Very high | 172 Ų | 172 | 66.3 Ų | 66.3 | 75% | 0.748 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -11.1 | 178.8 | -60.3 | -179.2 | -179.9 | 178.2 | 0 | 114 | Q171 | Q171-K173 PolarHBondContact O-N 2.76Å; Q171-K173 VanDerWaalsContact O-N 3.15Å |
| 174 | D | 83.4 | Confident | 92.7 | Very high | 84 Ų | 84 | 70.1 Ų | 70.1 | 45% | 0.449 | 34% | 0.342 | S | S | . | . | trans | -97.5 | 88.1 | -177.3 | -75.8 | -9.7 | 0 | 0 | 0 | 110.7 | R170 Q171 N176 | R170-D174 WeakPolarHBondContact CD-O 3.32Å; Q171-D174 HydrophobicContact CB-CB 4.28Å; Q171-D174 PolarHBondContact O-N 2.9Å; D174-N176 VanDerWaalsContact C-N 3.26Å; D174-N176 PolarHBondContact O-N 2.77Å | ||
| 175 | E | 75.5 | Confident | 92.6 | Very high | 151 Ų | 151 | 70.1 Ų | 70.1 | 71% | 0.706 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -34.9 | -173.6 | -65.4 | -170.9 | 141.7 | 0 | 0 | 113.9 | R170 | R170-E175 PolarHBondContact NH1-O 2.92Š|
| 176 | N | 76.4 | Confident | 92.5 | Very high | 156 Ų | 156 | 72 Ų | 72 | 83% | 0.834 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.9 | 3.3 | -159.7 | -70.1 | -54.2 | 0 | 0 | 0 | 116.6 | D174 | D174-N176 VanDerWaalsContact C-N 3.26Å; D174-N176 PolarHBondContact O-N 2.77Å |
| 177 | K | 89.6 | Confident | 92.4 | Very high | 160 Ų | 160 | 77.1 Ų | 77.1 | 70% | 0.696 | 38% | 0.383 | S | S | * | . | trans | -138.2 | 98.5 | -176.5 | -164.5 | 175 | -177.9 | -179.3 | 0 | 114.4 | ||||
| 178 | W | 94.6 | Very high | 92.4 | Very high | 63 Ų | 63 | 78.3 Ų | 78.3 | 24% | 0.239 | 39% | 0.389 | C | S | . | . | trans | -81.5 | 136.1 | 168.4 | -69.5 | 88.2 | 0 | 0 | 0 | 111.4 | A168 R170 E202 K204 | A168-W178 HydrophobicContact CB-CD2 4.37Å; A168-W178 HydrophobicContact CB-CE3 3.61Å; A168-W178 HydrophobicContact CB-CZ3 4.11Å; A168-W178 WeakPolarHBondContact O-CZ3 3.46Å; R170-W178 HydrophobicContact CB-CD2 4.36Å; R170-W178 HydrophobicContact CB-CE3 4.23Å; R170-W178 HydrophobicContact CG-CD2 4.07Å; R170-W178 HydrophobicContact CG-CE3 3.93Å; R170-W178 HydrophobicContact CG-CH2 3.97Å; R170-W178 HydrophobicContact CG-CZ2 4.07Å; R170-W178 HydrophobicContact CG-CZ3 3.9Å; W178-E202 HydrophobicContact CH2-CB 4.44Å; W178-E202 HydrophobicContact CH2-CG 3.98Å; W178-E202 WeakPolarHBondContact CH2-OE1 3.44Å; W178-E202 WeakPolarHBondContact CH2-OE2 3.28Å; W178-K204 HydrophobicContact CH2-CD 3.84Å; W178-K204 HydrophobicContact CH2-CG 4.1Å; W178-K204 VanDerWaalsContact CH2-NZ 3.25Å; W178-K204 HydrophobicContact CZ3-CD 4.2Å; W178-K204 HydrophobicContact CZ3-CG 3.97Å | ||
| 179 | M | 95.3 | Very high | 92.4 | Very high | 68 Ų | 68 | 81.2 Ų | 81.2 | 34% | 0.335 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 124.8 | 166 | -70.1 | 173.5 | -79.6 | 0 | 0 | 108.6 | A168 Y169 Y201 | A168-M179 CarbonylContact C-O 3.58Å; A168-M179 WeakPolarHBondContact CA-O 3.45Å; Y169-M179 HydrophobicContact CD1-CB 4.17Å; Y169-M179 WeakPolarHBondContact CD1-O 3.33Å; Y169-M179 HydrophobicContact CD2-CB 4.41Å; Y169-M179 HydrophobicContact CD2-CE 3.73Å; Y169-M179 HydrophobicContact CE1-CB 3.82Å; Y169-M179 HydrophobicContact CE2-CB 4.06Å; Y169-M179 HydrophobicContact CE2-CE 3.41Å; Y169-M179 VanDerWaalsContact CE2-CE 3.41Å; Y169-M179 HydrophobicContact CE2-SD 3.81Å; Y169-M179 HydrophobicContact CG-CB 4.45Å; Y169-M179 PolarHBondContact N-O 2.96Å; Y169-M179 WeakPolarHBondContact O-CB 3.38Å; Y169-M179 PolarHBondContact O-N 3.33Å; M179-Y201 HydrophobicContact CE-CE1 4.2Å |
| 180 | H | 97 | Very high | 92.4 | Very high | 99 Ų | 99 | 80.6 Ų | 80.6 | 46% | 0.458 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 136.3 | -177.1 | -72.6 | -92.8 | 0 | 0 | 0 | 111 | D166 V167 | D166-H180 IonicContact OD1-CE1 2.85Å; D166-H180 IonicContact OD1-CG 2.7Å; D166-H180 IonicContact OD1-ND1 2.74Å; D166-H180 PolarHBondContact OD1-ND1 3.29Å; D166-H180 IonicContact OD2-CE1 3.83Å; D166-H180 IonicContact OD2-ND1 3.17Å; D166-H180 PolarHBondContact OD2-ND1 3.23Å; V167-H180 CarbonylContact O-C 3.59Å; V167-H180 WeakPolarHBondContact O-CA 3.41Å |
| 181 | V | 97.2 | Very high | 92.4 | Very high | 42 Ų | 42 | 81.3 Ų | 81.3 | 26% | 0.255 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 117.1 | 174.6 | 177.8 | 0 | 0 | 0 | 0 | 109.4 | V167 Y169 L188 | V167-V181 PolarHBondContact N-O 3.2Å; V167-V181 PolarHBondContact O-N 3.19Å; Y169-V181 HydrophobicContact CE1-CG2 3.99Å; V181-L188 HydrophobicContact CB-CD2 4.04Å; V181-L188 HydrophobicContact CG1-CD1 3.78Å; V181-L188 HydrophobicContact CG1-CD2 3.93Å; V181-L188 HydrophobicContact CG2-CD2 4.46Å |
| 182 | N | 97.3 | Very high | 92.3 | Very high | 100 Ų | 100 | 80.5 Ų | 80.5 | 54% | 0.535 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 134.5 | 176.1 | -67.2 | -27.2 | 0 | 0 | 0 | 110.7 | M164 H165 | M164-N182 HydrophobicContact CG-CB 4.32Å; M164-N182 HydrophobicContact SD-CB 4.02Å; H165-N182 CarbonylContact O-C 3.6Å; H165-N182 VanDerWaalsContact O-CA 3.27Å; H165-N182 WeakPolarHBondContact O-CA 3.45Å |
| 183 | L | 95.6 | Very high | 92.3 | Very high | 21 Ų | 21 | 86 Ų | 86 | 11% | 0.11 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 150.5 | 176.8 | 71.6 | 171.5 | 0 | 0 | 0 | 112.9 | H165 V167 S185 K187 L188 | H165-L183 HydrophobicContact CB-CD2 4Å; H165-L183 WeakPolarHBondContact CB-O 3.44Å; H165-L183 PolarHBondContact N-O 3.05Å; H165-L183 PolarHBondContact O-N 3.49Å; V167-L183 HydrophobicContact CB-CD2 4.42Å; V167-L183 HydrophobicContact CG2-CD2 3.52Å; L183-S185 WeakPolarHBondContact CD1-O 3.21Å; L183-S185 WeakPolarHBondContact CG-O 3.49Å; L183-K187 VanDerWaalsContact CD1-O 3.23Å; L183-K187 WeakPolarHBondContact CD1-O 3.22Å; L183-L188 HydrophobicContact CD1-CB 3.83Å; L183-L188 HydrophobicContact CD1-CD1 4.41Å |
| 184 | S | 94.6 | Very high | 92.6 | Very high | 86 Ų | 86 | 82.5 Ų | 82.5 | 60% | 0.601 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -93 | 4.5 | 176.3 | -44.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 185 | S | 95.1 | Very high | 93.1 | Very high | 63 Ų | 63 | 79 Ų | 79 | 44% | 0.441 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -116.6 | 150.7 | -177.1 | 52.6 | 0 | 0 | 0 | 0 | 112.3 | F150 L183 K187 | F150-S185 WeakPolarHBondContact CZ-O 3.4Å; L183-S185 WeakPolarHBondContact CD1-O 3.21Å; L183-S185 WeakPolarHBondContact CG-O 3.49Å; S185-K187 PolarHBondContact O-N 3Å; S185-K187 PolarHBondContact OG-O 2.53Å |
| 186 | T | 96.6 | Very high | 93.9 | Very high | 46 Ų | 46 | 77.1 Ų | 77.1 | 28% | 0.282 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -76.7 | 17.1 | 177.5 | 47.6 | 0 | 0 | 0 | 0 | 114.7 | T149 F150 T152 L155 | T149-T186 WeakPolarHBondContact CA-O 3.4Å; F150-T186 HydrophobicContact CD2-CG2 4.21Å; F150-T186 HydrophobicContact CE2-CG2 3.98Å; F150-T186 PolarHBondContact N-O 3.28Å; F150-T186 WeakPolarHBondContact O-CB 3.43Å; T152-T186 HydrophobicContact CG2-CG2 4.17Å; L155-T186 HydrophobicContact CD1-CG2 4.15Å |
| 187 | K | 96.8 | Very high | 94.6 | Very high | 111 Ų | 111 | 72.3 Ų | 72.3 | 48% | 0.483 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 131.1 | -175.8 | -176.8 | -179 | -179.6 | -178.1 | 0 | 110.8 | V147 V148 T149 L183 S185 | V147-K187 HydrophobicContact CG1-CD 4.43Å; V147-K187 HydrophobicContact CG1-CG 4.29Å; V148-K187 WeakPolarHBondContact O-CA 3.21Å; T149-K187 HydrophobicContact CG2-CB 4.21Å; T149-K187 HydrophobicContact CG2-CD 4.5Å; T149-K187 HydrophobicContact CG2-CG 3.97Å; L183-K187 VanDerWaalsContact CD1-O 3.23Å; L183-K187 WeakPolarHBondContact CD1-O 3.22Å; S185-K187 PolarHBondContact O-N 3Å; S185-K187 PolarHBondContact OG-O 2.53Å |
| 188 | L | 97.2 | Very high | 94.7 | Very high | 25 Ų | 25 | 69.6 Ų | 69.6 | 13% | 0.131 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 156.9 | 173.7 | 178.1 | 60.7 | 0 | 0 | 0 | 109.7 | V148 V167 V181 L183 L190 | V148-L188 HydrophobicContact CB-CB 4.23Å; V148-L188 PolarHBondContact N-O 2.9Å; V148-L188 PolarHBondContact O-N 3.14Å; V167-L188 HydrophobicContact CB-CD2 4.06Å; V167-L188 HydrophobicContact CG1-CD2 3.89Å; V167-L188 HydrophobicContact CG2-CD2 4.23Å; V181-L188 HydrophobicContact CB-CD2 4.04Å; V181-L188 HydrophobicContact CG1-CD1 3.78Å; V181-L188 HydrophobicContact CG1-CD2 3.93Å; V181-L188 HydrophobicContact CG2-CD2 4.46Å; L183-L188 HydrophobicContact CD1-CB 3.83Å; L183-L188 HydrophobicContact CD1-CD1 4.41Å; L188-L190 HydrophobicContact CD2-CD2 3.86Å; L188-L190 HydrophobicContact CD2-CG 4.43Å; L188-L190 HydrophobicContact CG-CD2 4.17Å |
| 189 | T | 97 | Very high | 94.7 | Very high | 60 Ų | 60 | 67 Ų | 67 | 37% | 0.368 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 123.8 | 171.4 | -59.8 | 0 | 0 | 0 | 0 | 109.4 | D145 F146 | D145-T189 HydrophobicContact CB-CG2 3.68Å; D145-T189 VanDerWaalsContact CG-CG2 3.43Å; D145-T189 WeakPolarHBondContact OD2-CG2 3.35Å; F146-T189 CarbonylContact O-C 3.57Å; F146-T189 WeakPolarHBondContact O-CA 3.37Å |
| 190 | L | 96.5 | Very high | 94.7 | Very high | 11 Ų | 11 | 66.7 Ų | 66.7 | 6% | 0.058 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 121.5 | 174.5 | -58.1 | 177.4 | 0 | 0 | 0 | 109.3 | D145 F146 V148 Y169 L188 L195 I203 | D145-L190 WeakPolarHBondContact CA-O 3.46Å; D145-L190 WeakPolarHBondContact CB-O 3.48Å; F146-L190 HydrophobicContact CB-CB 4.36Å; F146-L190 PolarHBondContact N-O 2.91Å; F146-L190 PolarHBondContact O-N 2.88Å; V148-L190 HydrophobicContact CG2-CD1 3.95Å; V148-L190 HydrophobicContact CG2-CG 4.15Å; Y169-L190 HydrophobicContact CD1-CD1 4.4Å; Y169-L190 HydrophobicContact CD2-CD1 4.32Å; Y169-L190 HydrophobicContact CE1-CD1 4.4Å; Y169-L190 HydrophobicContact CE1-CD2 3.87Å; Y169-L190 HydrophobicContact CE2-CD1 4.33Å; Y169-L190 HydrophobicContact CG-CD1 4.36Å; L188-L190 HydrophobicContact CD2-CD2 3.86Å; L188-L190 HydrophobicContact CD2-CG 4.43Å; L188-L190 HydrophobicContact CG-CD2 4.17Å; L190-L195 HydrophobicContact CB-CD1 4.45Å; L190-I203 HydrophobicContact CD1-CD1 4.19Å |
| 191 | L | 94.9 | Very high | 94.6 | Very high | 61 Ų | 61 | 62.4 Ų | 62.4 | 32% | 0.319 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 134.7 | -179.9 | -55.2 | 178.9 | 0 | 0 | 0 | 110.6 | D145 R193 N194 | D145-L191 HydrophobicContact CB-CD2 4.19Å; L191-R193 VanDerWaalsContact C-N 3.26Å; L191-R193 HydrophobicContact CB-CG 4.19Å; L191-R193 PolarHBondContact O-N 2.79Å; L191-N194 WeakPolarHBondContact O-CB 3.35Å; L191-N194 PolarHBondContact O-N 3.17Å |
| 192 | Q | 92.6 | Very high | 94.6 | Very high | 22 Ų | 22 | 61 Ų | 61 | 10% | 0.103 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -54.8 | -41.9 | 179.6 | -178.3 | -170.3 | 0.2 | 0 | 0 | 111.9 | Y139 N144 F146 N194 L195 | Y139-Q192 PolarHBondContact OH-OE1 3.31Å; N144-Q192 HydrophobicContact CB-CB 4.38Å; N144-Q192 PolarHBondContact ND2-OE1 2.82Å; N144-Q192 WeakPolarHBondContact O-CB 3.27Å; N144-Q192 PolarHBondContact O-N 2.96Å; F146-Q192 HydrophobicContact CE2-CB 4.17Å; F146-Q192 HydrophobicContact CE2-CG 4.37Å; Q192-N194 PolarHBondContact O-N 2.89Å; Q192-N194 VanDerWaalsContact O-N 3.1Å; Q192-L195 PolarHBondContact O-N 2.87Å |
| 193 | R | 90.4 | Very high | 94.6 | Very high | 204 Ų | 204 | 56.2 Ų | 56.2 | 77% | 0.77 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -63.4 | -12 | 178.3 | 74.5 | -177.9 | -176.2 | -175.3 | -3.5 | 115.1 | L191 | L191-R193 VanDerWaalsContact C-N 3.26Å; L191-R193 HydrophobicContact CB-CG 4.19Å; L191-R193 PolarHBondContact O-N 2.79Å |
| 194 | N | 92 | Very high | 94.7 | Very high | 99 Ų | 99 | 56.9 Ų | 56.9 | 53% | 0.529 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -96.8 | -2.1 | 176.8 | -65.5 | 18.1 | 0 | 0 | 0 | 112.1 | L191 Q192 | L191-N194 WeakPolarHBondContact O-CB 3.35Å; L191-N194 PolarHBondContact O-N 3.17Å; Q192-N194 PolarHBondContact O-N 2.89Å; Q192-N194 VanDerWaalsContact O-N 3.1Å |
| 195 | L | 92.9 | Very high | 94.9 | Very high | 10 Ų | 10 | 52.8 Ų | 52.8 | 5% | 0.052 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -116.4 | 155 | 179.4 | -55.4 | 178.3 | 0 | 0 | 0 | 109.4 | F146 Y169 L190 Q192 Y201 F226 T228 | F146-L195 HydrophobicContact CD2-CD1 3.73Å; F146-L195 HydrophobicContact CE2-CD1 3.76Å; Y169-L195 HydrophobicContact CD2-CD2 4.23Å; Y169-L195 HydrophobicContact CE2-CD2 3.67Å; L190-L195 HydrophobicContact CB-CD1 4.45Å; Q192-L195 PolarHBondContact O-N 2.87Å; L195-Y201 HydrophobicContact CB-CE2 4.01Å; L195-Y201 HydrophobicContact CD2-CD1 4.44Å; L195-Y201 HydrophobicContact CD2-CE1 3.89Å; L195-F226 HydrophobicContact CD1-CE2 4.12Å; L195-F226 HydrophobicContact CD1-CZ 4.26Å; L195-T228 HydrophobicContact CB-CG2 3.9Å; L195-T228 HydrophobicContact CD1-CG2 3.92Å |
| 196 | Q | 91.5 | Very high | 95.1 | Very high | 113 Ų | 113 | 52.4 Ų | 52.4 | 53% | 0.528 | 25% | 0.252 | S | S | . | . | trans | -70 | 141.8 | 173.1 | -64.7 | -61.7 | -14 | 0 | 0 | 110.3 | A199 Y201 T228 | Q196-A199 HydrophobicContact CB-CB 4.03Å; Q196-Y201 PolarHBondContact N-OH 2.93Å; Q196-T228 WeakPolarHBondContact O-CB 3.36Å; Q196-T228 WeakPolarHBondContact O-CG2 3.17Å; Q196-T228 PolarHBondContact O-OG1 3.24Å | ||
| 197 | P | 92.7 | Very high | 95.1 | Very high | 55 Ų | 55 | 50.2 Ų | 50.2 | 36% | 0.357 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | 156.3 | 174 | 28.8 | -35 | 0 | 0 | 0 | 112.2 | A199 I231 | P197-A199 PolarHBondContact O-N 2.89Å; P197-I231 HydrophobicContact CB-CB 4.16Å; P197-I231 HydrophobicContact CB-CD1 3.92Å; P197-I231 HydrophobicContact CB-CG1 3.85Å; P197-I231 HydrophobicContact CG-CD1 4.32Å |
| 198 | E | 91.8 | Very high | 95.2 | Very high | 103 Ų | 103 | 46.5 Ų | 46.5 | 48% | 0.481 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 10 | 172 | -142.2 | -145.6 | 139.3 | 0 | 0 | 116.4 | R227 T228 P229 E230 | E198-R227 PolarHBondContact O-NE 2.72Å; E198-R227 PolarHBondContact O-NH2 3.18Å; E198-R227 IonicContact OE1-CZ 2.65Å; E198-R227 IonicContact OE1-NH2 2.61Å; E198-R227 PolarHBondContact OE1-NH2 2.85Å; E198-T228 WeakPolarHBondContact CA-O 3.36Å; E198-T228 PolarHBondContact N-O 2.89Å; E198-T228 PolarHBondContact N-OG1 2.68Å; E198-P229 PolarHBondContact N-O 2.83Å; E198-P229 VanDerWaalsContact N-O 3.09Å; E198-E230 HydrophobicContact CG-CB 4.31Å |
| 199 | A | 92.9 | Very high | 95.1 | Very high | 9 Ų | 9 | 45.9 Ų | 45.9 | 7% | 0.074 | 22% | 0.221 | C | C | . | . | trans | -101.9 | 145 | -164.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q171 Q196 P197 Y201 R227 T228 | Q171-A199 HydrophobicContact CG-CB 4.4Å; Q196-A199 HydrophobicContact CB-CB 4.03Å; P197-A199 PolarHBondContact O-N 2.89Å; A199-Y201 HydrophobicContact CB-CD2 4.38Å; A199-Y201 HydrophobicContact CB-CE2 4Å; A199-R227 CarbonylContact O-C 3.57Å; A199-R227 WeakPolarHBondContact O-CA 3.3Å; A199-T228 PolarHBondContact N-OG1 2.94Å; A199-T228 PolarHBondContact O-N 2.85Å; A199-T228 PolarHBondContact O-OG1 2.75Å | ||
| 200 | M | 95.5 | Very high | 94.9 | Very high | 61 Ų | 61 | 45.6 Ų | 45.6 | 30% | 0.3 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 131.1 | 169.4 | -69.6 | -57.8 | -59.4 | 0 | 0 | 110.7 | Q171 E172 R227 | Q171-M200 WeakPolarHBondContact CA-O 3.16Å; E172-M200 HydrophobicContact CB-CB 3.87Å; E172-M200 PolarHBondContact N-O 3.22Å; E172-M200 WeakPolarHBondContact OE2-CB 3.49Å; M200-R227 HydrophobicContact SD-CB 3.63Å; M200-R227 HydrophobicContact SD-CG 3.73Å |
| 201 | Y | 96 | Very high | 94.4 | Very high | 9 Ų | 9 | 51.7 Ų | 51.7 | 4% | 0.035 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 135.7 | 175.8 | -85 | -93.5 | 0 | 0 | 0 | 110.9 | Y169 R170 Q171 M179 L195 Q196 A199 Y225 F226 T228 | Y169-Y201 HydrophobicContact CD2-CD1 4.23Å; Y169-Y201 HydrophobicContact CD2-CE1 4.38Å; R170-Y201 CarbonylContact O-C 3.5Å; R170-Y201 VanDerWaalsContact O-CA 3.28Å; R170-Y201 WeakPolarHBondContact O-CA 3.23Å; R170-Y201 WeakPolarHBondContact O-CD1 3.43Å; Q171-Y201 HydrophobicContact CB-CE1 4.24Å; M179-Y201 HydrophobicContact CE-CE1 4.2Å; L195-Y201 HydrophobicContact CB-CE2 4.01Å; L195-Y201 HydrophobicContact CD2-CD1 4.44Å; L195-Y201 HydrophobicContact CD2-CE1 3.89Å; Q196-Y201 PolarHBondContact N-OH 2.93Å; A199-Y201 HydrophobicContact CB-CD2 4.38Å; A199-Y201 HydrophobicContact CB-CE2 4Å; Y201-Y225 WeakPolarHBondContact O-CA 3.36Å; Y201-F226 VanDerWaalsContact CB-CE1 3.48Å; Y201-F226 HydrophobicContact CG-CE1 4.43Å; Y201-F226 HydrophobicContact CG-CZ 4.08Å; Y201-F226 PolarHBondContact N-O 2.97Å; Y201-F226 PolarHBondContact O-N 2.88Å; Y201-T228 HydrophobicContact CD2-CG2 3.86Å; Y201-T228 HydrophobicContact CE2-CG2 3.89Å |
| 202 | E | 96.9 | Very high | 94.1 | Very high | 12 Ų | 12 | 56.6 Ų | 56.6 | 6% | 0.056 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 134.4 | 166.5 | -171.5 | -168.1 | 168.5 | 0 | 0 | 108.6 | Y169 R170 W178 S223 Y225 | Y169-E202 CarbonylContact C-O 3.56Å; Y169-E202 WeakPolarHBondContact CA-O 3.34Å; R170-E202 HydrophobicContact CG-CB 4.22Å; R170-E202 IonicContact CZ-OE2 2.81Å; R170-E202 PolarHBondContact N-O 2.87Å; R170-E202 IonicContact NE-OE2 2.68Å; R170-E202 PolarHBondContact NE-OE2 3.06Å; R170-E202 IonicContact NH2-OE2 3.7Å; R170-E202 PolarHBondContact NH2-OE2 2.79Å; R170-E202 PolarHBondContact O-N 2.79Å; W178-E202 HydrophobicContact CH2-CB 4.44Å; W178-E202 HydrophobicContact CH2-CG 3.98Å; W178-E202 WeakPolarHBondContact CH2-OE1 3.44Å; W178-E202 WeakPolarHBondContact CH2-OE2 3.28Å; E202-S223 WeakPolarHBondContact OE1-CB 3.48Å; E202-S223 PolarHBondContact OE1-OG 3.15Å; E202-Y225 HydrophobicContact CB-CD1 4.22Å; E202-Y225 HydrophobicContact CB-CE1 3.93Å; E202-Y225 HydrophobicContact CG-CD1 4.33Å; E202-Y225 HydrophobicContact CG-CE1 3.73Å |
| 203 | I | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 139.6 | 175.8 | -177.3 | 164 | 0 | 0 | 0 | 111.3 | L135 V137 V148 V167 A168 L190 S223 Y224 F226 | L135-I203 HydrophobicContact CD2-CG2 4.4Å; L135-I203 VanDerWaalsContact CD2-O 3.3Å; L135-I203 WeakPolarHBondContact CD2-O 3.44Å; V137-I203 HydrophobicContact CG2-CG2 3.89Å; V148-I203 HydrophobicContact CB-CD1 4.5Å; V148-I203 HydrophobicContact CG1-CD1 3.84Å; V148-I203 HydrophobicContact CG2-CD1 3.86Å; V167-I203 HydrophobicContact CG1-CD1 3.7Å; V167-I203 HydrophobicContact CG1-CG1 3.92Å; A168-I203 WeakPolarHBondContact O-CA 3.38Å; L190-I203 HydrophobicContact CD1-CD1 4.19Å; I203-S223 WeakPolarHBondContact O-CA 3.36Å; I203-Y224 HydrophobicContact CG2-CD1 4.39Å; I203-Y224 WeakPolarHBondContact CG2-O 3.1Å; I203-Y224 PolarHBondContact N-O 3.2Å; I203-Y224 PolarHBondContact O-N 2.81Å; I203-F226 HydrophobicContact CB-CE1 4.24Å; I203-F226 HydrophobicContact CG2-CD1 3.93Å; I203-F226 HydrophobicContact CG2-CE1 3.8Å |
| 204 | K | 97.8 | Very high | 94.4 | Very high | 35 Ų | 35 | 53.5 Ų | 53.5 | 15% | 0.152 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 158.5 | 179.3 | 59.1 | -175.1 | -179.3 | -153.7 | 0 | 111.4 | A168 W178 W220 | A168-K204 HydrophobicContact CB-CG 4.39Å; A168-K204 PolarHBondContact N-O 2.88Å; A168-K204 PolarHBondContact O-N 2.95Å; W178-K204 HydrophobicContact CH2-CD 3.84Å; W178-K204 HydrophobicContact CH2-CG 4.1Å; W178-K204 VanDerWaalsContact CH2-NZ 3.25Å; W178-K204 HydrophobicContact CZ3-CD 4.2Å; W178-K204 HydrophobicContact CZ3-CG 3.97Å; K204-W220 HydrophobicContact CB-CE3 4.13Å; K204-W220 HydrophobicContact CD-CB 4.27Å; K204-W220 HydrophobicContact CD-CD2 3.83Å; K204-W220 HydrophobicContact CD-CE3 3.88Å; K204-W220 HydrophobicContact CD-CG 4.03Å; K204-W220 HydrophobicContact CD-CZ3 4.5Å; K204-W220 HydrophobicContact CG-CD2 4.08Å; K204-W220 HydrophobicContact CG-CE3 3.57Å; K204-W220 HydrophobicContact CG-CZ3 3.94Å |
| 205 | V | 98.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 142.8 | -172.6 | -164.9 | 0 | 0 | 0 | 0 | 111.1 | P132 L135 F150 H165 D166 V167 S221 | P132-V205 HydrophobicContact CB-CB 4.17Å; P132-V205 HydrophobicContact CB-CG1 4.36Å; P132-V205 HydrophobicContact CG-CB 4.16Å; P132-V205 HydrophobicContact CG-CG1 4.02Å; L135-V205 HydrophobicContact CD1-CG2 3.8Å; L135-V205 HydrophobicContact CD2-CG2 4.16Å; F150-V205 HydrophobicContact CD1-CG1 4.15Å; F150-V205 HydrophobicContact CD1-CG2 3.93Å; F150-V205 HydrophobicContact CD2-CG1 4.29Å; F150-V205 HydrophobicContact CE1-CG1 3.92Å; F150-V205 HydrophobicContact CE1-CG2 4.32Å; F150-V205 HydrophobicContact CE2-CG1 4.06Å; F150-V205 HydrophobicContact CG-CG1 4.33Å; F150-V205 HydrophobicContact CG-CG2 4.31Å; F150-V205 HydrophobicContact CZ-CG1 3.87Å; H165-V205 HydrophobicContact CB-CG1 4.22Å; D166-V205 WeakPolarHBondContact O-CA 3.19Å; V167-V205 HydrophobicContact CB-CG2 4.45Å; V167-V205 HydrophobicContact CG1-CG2 4.34Å; V167-V205 HydrophobicContact CG2-CB 4.42Å; V167-V205 HydrophobicContact CG2-CG1 3.77Å; V167-V205 HydrophobicContact CG2-CG2 3.87Å; V205-S221 PolarHBondContact N-OG 3.15Å; V205-S221 WeakPolarHBondContact O-CB 3.43Å; V205-S221 PolarHBondContact O-N 2.94Å |
| 206 | R | 98.3 | Very high | 94.9 | Very high | 54 Ų | 54 | 54.2 Ų | 54.2 | 20% | 0.204 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 170.2 | 170.4 | 62.5 | 178.1 | 177.2 | 173.2 | -4.2 | 110.6 | H165 D166 W217 S218 W220 | H165-R206 CarbonylContact C-O 3.58Å; H165-R206 VanDerWaalsContact CA-O 3.29Å; H165-R206 WeakPolarHBondContact CA-O 3.48Å; D166-R206 HydrophobicContact CB-CG 3.97Å; D166-R206 PolarHBondContact N-O 3.31Å; D166-R206 PolarHBondContact O-N 3.02Å; D166-R206 IonicContact OD2-CZ 3.21Å; D166-R206 IonicContact OD2-NE 2.72Å; D166-R206 PolarHBondContact OD2-NE 3.2Å; D166-R206 IonicContact OD2-NH2 3.01Å; D166-R206 PolarHBondContact OD2-NH2 2.96Å; R206-W217 HydrophobicContact CB-CE3 4.38Å; R206-W217 HydrophobicContact CG-CD2 4.31Å; R206-W217 HydrophobicContact CG-CE3 3.6Å; R206-W217 HydrophobicContact CG-CZ3 4.05Å; R206-S218 WeakPolarHBondContact CA-OG 3.48Å; R206-W220 HydrophobicContact CB-CD2 4.19Å; R206-W220 HydrophobicContact CB-CE3 3.8Å; R206-W220 HydrophobicContact CB-CZ3 4.11Å; R206-W220 HydrophobicContact CG-CD2 4.22Å; R206-W220 HydrophobicContact CG-CE3 3.74Å; R206-W220 HydrophobicContact CG-CH2 3.83Å; R206-W220 HydrophobicContact CG-CZ2 4.29Å; R206-W220 HydrophobicContact CG-CZ3 3.54Å; R206-W220 VanDerWaalsContact NE-CH2 3.28Å |
| 207 | S | 98 | Very high | 95.2 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 149.5 | -177.3 | -43.9 | 0 | 0 | 0 | 0 | 113 | P132 M164 H165 W217 S218 | P132-S207 WeakPolarHBondContact CG-OG 3.15Å; M164-S207 CarbonylContact O-C 3.56Å; M164-S207 WeakPolarHBondContact O-CA 3.49Å; H165-S207 PolarHBondContact CE1-OG 3.22Å; H165-S207 PolarHBondContact ND1-OG 3.45Å; S207-W217 VanDerWaalsContact C-CE3 3.45Å; S207-W217 CarbonylContact O-C 3.43Å; S207-W217 WeakPolarHBondContact O-CA 3.3Å; S207-S218 PolarHBondContact N-OG 3.1Å; S207-S218 PolarHBondContact O-N 3.23Å |
| 208 | I | 97.9 | Very high | 95.5 | Very high | 33 Ų | 33 | 50 Ų | 50 | 17% | 0.169 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 148.1 | 170.4 | -166.7 | 164.2 | 0 | 0 | 0 | 109.6 | L163 M164 W217 | L163-I208 WeakPolarHBondContact CA-O 3.28Å; M164-I208 HydrophobicContact CB-CG2 3.97Å; M164-I208 HydrophobicContact CE-CG2 3.78Å; M164-I208 PolarHBondContact N-O 3.4Å; M164-I208 PolarHBondContact O-N 2.83Å; I208-W217 HydrophobicContact CB-CD2 3.88Å; I208-W217 HydrophobicContact CB-CE3 3.66Å; I208-W217 HydrophobicContact CB-CH2 4.08Å; I208-W217 HydrophobicContact CB-CZ2 4.29Å; I208-W217 HydrophobicContact CB-CZ3 3.76Å; I208-W217 HydrophobicContact CD1-CD2 4.24Å; I208-W217 HydrophobicContact CD1-CG 4.41Å; I208-W217 HydrophobicContact CD1-CZ2 4.4Å; I208-W217 HydrophobicContact CG2-CD2 4.43Å; I208-W217 HydrophobicContact CG2-CE3 4.09Å; I208-W217 HydrophobicContact CG2-CH2 3.57Å; I208-W217 HydrophobicContact CG2-CZ2 3.95Å; I208-W217 HydrophobicContact CG2-CZ3 3.65Å |
| 209 | P | 96.6 | Very high | 95.8 | Very high | 12 Ų | 12 | 50.7 Ų | 50.7 | 8% | 0.078 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 142.7 | 175.4 | -18.4 | 32.1 | 0 | 0 | 0 | 111.6 | V127 P129 V160 F213 | V127-P209 HydrophobicContact CB-CG 3.89Å; V127-P209 HydrophobicContact CG1-CG 3.82Å; V127-P209 WeakPolarHBondContact O-CG 3.38Å; P129-P209 HydrophobicContact CG-CG 3.87Å; V160-P209 HydrophobicContact CG1-CB 4.42Å; P209-F213 HydrophobicContact CB-CB 3.85Å |
| 210 | D | 92 | Very high | 96 | Very high | 54 Ų | 54 | 54.2 Ų | 54.2 | 29% | 0.289 | 25% | 0.246 | S | C | . | . | trans | -121.2 | 160.5 | 176 | -169.7 | 9.3 | 0 | 0 | 0 | 111.1 | V162 Y212 | V162-D210 HydrophobicContact CG1-CB 4.15Å; V162-D210 PolarHBondContact O-N 3.25Å; D210-Y212 PolarHBondContact O-N 3.49Å; D210-Y212 VanDerWaalsContact O-N 3.12Å | ||
| 211 | H | 85.1 | Confident | 96.1 | Very high | 140 Ų | 140 | 51.5 Ų | 51.5 | 65% | 0.648 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | -95.4 | -179.8 | -55.2 | -1.9 | 0 | 0 | 0 | 114.2 | ||
| 212 | Y | 89.4 | Confident | 96.2 | Very high | 164 Ų | 164 | 56 Ų | 56 | 64% | 0.643 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -41.8 | -168.7 | -177.7 | -91.7 | 0 | 0 | 0 | 112.5 | D210 | D210-Y212 PolarHBondContact O-N 3.49Å; D210-Y212 VanDerWaalsContact O-N 3.12Å |
| 213 | F | 94.5 | Very high | 96.2 | Very high | 25 Ų | 25 | 57.4 Ų | 57.4 | 11% | 0.11 | 27% | 0.274 | C | S | . | . | trans | -85.7 | 147.8 | 176.9 | -64.4 | -78.1 | 0 | 0 | 0 | 109.8 | L46 T124 V127 Y159 V160 P209 | L46-F213 HydrophobicContact CD1-CD1 4.12Å; L46-F213 HydrophobicContact CD1-CE1 3.67Å; L46-F213 HydrophobicContact CD1-CZ 4.26Å; T124-F213 HydrophobicContact CG2-CD1 4.28Å; T124-F213 HydrophobicContact CG2-CE1 3.94Å; V127-F213 HydrophobicContact CG2-CB 4.34Å; V127-F213 HydrophobicContact CG2-CD1 4.01Å; Y159-F213 WeakPolarHBondContact O-CE2 3.49Å; V160-F213 HydrophobicContact CB-CD2 4.49Å; V160-F213 HydrophobicContact CG2-CD1 4.34Å; V160-F213 HydrophobicContact CG2-CD2 4.05Å; V160-F213 HydrophobicContact CG2-CE2 4.27Å; V160-F213 HydrophobicContact CG2-CG 4.09Å; P209-F213 HydrophobicContact CB-CB 3.85Å | ||
| 214 | K | 95.7 | Very high | 96.2 | Very high | 136 Ų | 136 | 61.4 Ų | 61.4 | 59% | 0.591 | 29% | 0.29 | S | S | * | . | trans | -133 | 165.2 | 174.4 | -57.2 | -176.1 | -178.7 | -175.8 | 0 | 109.5 | T124 T125 I126 V127 | T124-K214 PolarHBondContact O-N 2.87Å; T125-K214 CarbonylContact C-O 3.6Å; T125-K214 WeakPolarHBondContact CA-O 3.22Å; T125-K214 CarbonylContact O-C 3.59Å; I126-K214 PolarHBondContact N-O 3.14Å; V127-K214 WeakPolarHBondContact CB-O 3.39Å; V127-K214 PolarHBondContact N-O 2.93Å | ||
| 215 | G | 96.3 | Very high | 96.2 | Very high | 26 Ų | 26 | 65 Ų | 65 | 27% | 0.268 | 30% | 0.303 | S | S | . | . | B | Isolated β-bridge | trans | 153.3 | -125.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | T125 V127 | T125-G215 WeakPolarHBondContact O-CA 3.37Å; T125-G215 PolarHBondContact O-N 2.88Å; V127-G215 CarbonylContact O-C 3.57Å; V127-G215 WeakPolarHBondContact O-CA 3.08Å |
| 216 | F | 97.7 | Very high | 96.1 | Very high | 97 Ų | 97 | 65.8 Ų | 65.8 | 43% | 0.425 | 31% | 0.307 | S | S | . | . | trans | -120.6 | 160.1 | -162.6 | -51.2 | -73.9 | 0 | 0 | 0 | 112.3 | C42 I126 V127 K128 P129 | C42-F216 WeakPolarHBondContact O-CE2 3.32Å; I126-F216 HydrophobicContact CB-CE2 3.91Å; I126-F216 HydrophobicContact CG2-CE2 4.25Å; I126-F216 HydrophobicContact CG2-CZ 4.45Å; V127-F216 PolarHBondContact O-N 2.9Å; K128-F216 HydrophobicContact CB-CB 4.45Å; K128-F216 HydrophobicContact CG-CB 4.46Å; P129-F216 WeakPolarHBondContact CD-O 3.48Å | ||
| 217 | W | 98.3 | Very high | 95.9 | Very high | 73 Ų | 73 | 70 Ų | 70 | 28% | 0.277 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 140.6 | 164.6 | -69.9 | 104.9 | 0 | 0 | 0 | 111 | K128 M164 D166 R206 S207 I208 | K128-W217 WeakPolarHBondContact CE-O 3.48Å; M164-W217 HydrophobicContact CE-CH2 4.12Å; M164-W217 HydrophobicContact CE-CZ2 4.45Å; D166-W217 HydrophobicContact CB-CE3 4.34Å; D166-W217 HydrophobicContact CB-CH2 3.5Å; D166-W217 VanDerWaalsContact CB-CH2 3.5Å; D166-W217 HydrophobicContact CB-CZ2 4.36Å; D166-W217 HydrophobicContact CB-CZ3 3.48Å; D166-W217 VanDerWaalsContact CB-CZ3 3.48Å; R206-W217 HydrophobicContact CB-CE3 4.38Å; R206-W217 HydrophobicContact CG-CD2 4.31Å; R206-W217 HydrophobicContact CG-CE3 3.6Å; R206-W217 HydrophobicContact CG-CZ3 4.05Å; S207-W217 VanDerWaalsContact C-CE3 3.45Å; S207-W217 CarbonylContact O-C 3.43Å; S207-W217 WeakPolarHBondContact O-CA 3.3Å; I208-W217 HydrophobicContact CB-CD2 3.88Å; I208-W217 HydrophobicContact CB-CE3 3.66Å; I208-W217 HydrophobicContact CB-CH2 4.08Å; I208-W217 HydrophobicContact CB-CZ2 4.29Å; I208-W217 HydrophobicContact CB-CZ3 3.76Å; I208-W217 HydrophobicContact CD1-CD2 4.24Å; I208-W217 HydrophobicContact CD1-CG 4.41Å; I208-W217 HydrophobicContact CD1-CZ2 4.4Å; I208-W217 HydrophobicContact CG2-CD2 4.43Å; I208-W217 HydrophobicContact CG2-CE3 4.09Å; I208-W217 HydrophobicContact CG2-CH2 3.57Å; I208-W217 HydrophobicContact CG2-CZ2 3.95Å; I208-W217 HydrophobicContact CG2-CZ3 3.65Å |
| 218 | S | 98.1 | Very high | 95.8 | Very high | 7 Ų | 7 | 70.3 Ų | 70.3 | 5% | 0.049 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -60 | 168.2 | 163.2 | 71.5 | 0 | 0 | 0 | 0 | 110.9 | P129 R206 S207 | P129-S218 WeakPolarHBondContact O-CB 3.15Å; R206-S218 WeakPolarHBondContact CA-OG 3.48Å; S207-S218 PolarHBondContact N-OG 3.1Å; S207-S218 PolarHBondContact O-N 3.23Å |
| 219 | E | 98.2 | Very high | 95.5 | Very high | 117 Ų | 117 | 70.6 Ų | 70.6 | 55% | 0.547 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 158.5 | 157.5 | -60.3 | -49.6 | 136.2 | 0 | 0 | 110.7 | K128 A131 | K128-E219 WeakPolarHBondContact CE-OE1 3.36Å; K128-E219 IonicContact NZ-OE1 2.89Å; K128-E219 PolarHBondContact NZ-OE1 2.84Å; A131-E219 HydrophobicContact CB-CB 4.25Å; A131-E219 WeakPolarHBondContact CB-O 3.14Å |
| 220 | W | 98.4 | Very high | 94.9 | Very high | 83 Ų | 83 | 76 Ų | 76 | 31% | 0.314 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -67 | 147.2 | 170 | -67.5 | 103.2 | 0 | 0 | 0 | 110.7 | A168 K204 R206 | A168-W220 HydrophobicContact CB-CH2 3.52Å; A168-W220 HydrophobicContact CB-CZ3 3.66Å; K204-W220 HydrophobicContact CB-CE3 4.13Å; K204-W220 HydrophobicContact CD-CB 4.27Å; K204-W220 HydrophobicContact CD-CD2 3.83Å; K204-W220 HydrophobicContact CD-CE3 3.88Å; K204-W220 HydrophobicContact CD-CG 4.03Å; K204-W220 HydrophobicContact CD-CZ3 4.5Å; K204-W220 HydrophobicContact CG-CD2 4.08Å; K204-W220 HydrophobicContact CG-CE3 3.57Å; K204-W220 HydrophobicContact CG-CZ3 3.94Å; R206-W220 HydrophobicContact CB-CD2 4.19Å; R206-W220 HydrophobicContact CB-CE3 3.8Å; R206-W220 HydrophobicContact CB-CZ3 4.11Å; R206-W220 HydrophobicContact CG-CD2 4.22Å; R206-W220 HydrophobicContact CG-CE3 3.74Å; R206-W220 HydrophobicContact CG-CH2 3.83Å; R206-W220 HydrophobicContact CG-CZ2 4.29Å; R206-W220 HydrophobicContact CG-CZ3 3.54Å; R206-W220 VanDerWaalsContact NE-CH2 3.28Å |
| 221 | S | 98.2 | Very high | 93.9 | Very high | 5 Ų | 5 | 76.3 Ų | 76.3 | 4% | 0.035 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 159.4 | 158.8 | 73.8 | 0 | 0 | 0 | 0 | 110.1 | P132 V205 S223 | P132-S221 WeakPolarHBondContact O-CA 3.25Å; P132-S221 WeakPolarHBondContact O-CB 3.01Å; V205-S221 PolarHBondContact N-OG 3.15Å; V205-S221 WeakPolarHBondContact O-CB 3.43Å; V205-S221 PolarHBondContact O-N 2.94Å; S221-S223 PolarHBondContact O-N 2.64Å |
| 222 | P | 97.6 | Very high | 92.6 | Very high | 104 Ų | 104 | 76 Ų | 76 | 68% | 0.675 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -49 | 138.4 | 159.2 | -24.4 | 34.6 | 0 | 0 | 0 | 110.4 | Y224 | P222-Y224 PolarHBondContact O-N 2.92Š|
| 223 | S | 96.9 | Very high | 90.7 | Very high | 40 Ų | 40 | 73.9 Ų | 73.9 | 28% | 0.28 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 130 | 173.6 | -67.1 | 0 | 0 | 0 | 0 | 109.9 | E202 I203 S221 | E202-S223 WeakPolarHBondContact OE1-CB 3.48Å; E202-S223 PolarHBondContact OE1-OG 3.15Å; I203-S223 WeakPolarHBondContact O-CA 3.36Å; S221-S223 PolarHBondContact O-N 2.64Å |
| 224 | Y | 97.4 | Very high | 88.4 | Confident | 85 Ų | 85 | 76.2 Ų | 76.2 | 33% | 0.333 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 144.3 | 170.2 | -169.1 | -86.5 | 0 | 0 | 0 | 109.3 | L135 V137 I203 P222 F226 | L135-Y224 WeakPolarHBondContact O-CD2 2.83Å; V137-Y224 HydrophobicContact CB-CD1 4.14Å; V137-Y224 HydrophobicContact CB-CE1 3.83Å; V137-Y224 HydrophobicContact CG2-CD1 3.63Å; V137-Y224 HydrophobicContact CG2-CE1 3.87Å; V137-Y224 HydrophobicContact CG2-CG 4.47Å; I203-Y224 HydrophobicContact CG2-CD1 4.39Å; I203-Y224 WeakPolarHBondContact CG2-O 3.1Å; I203-Y224 PolarHBondContact N-O 3.2Å; I203-Y224 PolarHBondContact O-N 2.81Å; P222-Y224 PolarHBondContact O-N 2.92Å; Y224-F226 HydrophobicContact CD1-CB 4.45Å; Y224-F226 HydrophobicContact CE1-CB 4.15Å |
| 225 | Y | 96.8 | Very high | 85.9 | Confident | 111 Ų | 111 | 75 Ų | 75 | 44% | 0.435 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 129.1 | -177.6 | -63.6 | -96.2 | 0 | 0 | 0 | 109.5 | Y201 E202 | Y201-Y225 WeakPolarHBondContact O-CA 3.36Å; E202-Y225 HydrophobicContact CB-CD1 4.22Å; E202-Y225 HydrophobicContact CB-CE1 3.93Å; E202-Y225 HydrophobicContact CG-CD1 4.33Å; E202-Y225 HydrophobicContact CG-CE1 3.73Å |
| 226 | F | 96.1 | Very high | 83.6 | Confident | 16 Ų | 16 | 76.1 Ų | 76.1 | 7% | 0.07 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 151.9 | 177.4 | 70.1 | -79.8 | 0 | 0 | 0 | 111.1 | V137 F146 L195 Y201 I203 Y224 T228 | V137-F226 HydrophobicContact CB-CB 4.49Å; V137-F226 HydrophobicContact CB-CD1 4.35Å; V137-F226 HydrophobicContact CB-CG 4.36Å; V137-F226 HydrophobicContact CG1-CD1 4.16Å; V137-F226 HydrophobicContact CG1-CD2 4.08Å; V137-F226 HydrophobicContact CG1-CE1 4.36Å; V137-F226 HydrophobicContact CG1-CE2 4.28Å; V137-F226 HydrophobicContact CG1-CG 4.02Å; V137-F226 HydrophobicContact CG1-CZ 4.41Å; V137-F226 HydrophobicContact CG2-CD1 4.05Å; V137-F226 HydrophobicContact CG2-CE1 4.38Å; F146-F226 AromaticContact CD1-CD2 3.94Å; F146-F226 HydrophobicContact CD1-CD2 3.94Å; F146-F226 AromaticContact CD1-CE2 3.84Å; F146-F226 HydrophobicContact CD1-CE2 3.84Å; F146-F226 AromaticContact CE1-CD2 3.84Å; F146-F226 HydrophobicContact CE1-CD2 3.84Å; F146-F226 AromaticContact CE1-CE2 3.9Å; F146-F226 HydrophobicContact CE1-CE2 3.9Å; F146-F226 HydrophobicContact CG-CE2 4.19Å; F146-F226 HydrophobicContact CZ-CE2 4.32Å; L195-F226 HydrophobicContact CD1-CE2 4.12Å; L195-F226 HydrophobicContact CD1-CZ 4.26Å; Y201-F226 VanDerWaalsContact CB-CE1 3.48Å; Y201-F226 HydrophobicContact CG-CE1 4.43Å; Y201-F226 HydrophobicContact CG-CZ 4.08Å; Y201-F226 PolarHBondContact N-O 2.97Å; Y201-F226 PolarHBondContact O-N 2.88Å; I203-F226 HydrophobicContact CB-CE1 4.24Å; I203-F226 HydrophobicContact CG2-CD1 3.93Å; I203-F226 HydrophobicContact CG2-CE1 3.8Å; Y224-F226 HydrophobicContact CD1-CB 4.45Å; Y224-F226 HydrophobicContact CE1-CB 4.15Å; F226-T228 HydrophobicContact CE2-CG2 4.29Å |
| 227 | R | 95.3 | Very high | 81.4 | Confident | 143 Ų | 143 | 79.7 Ų | 79.7 | 54% | 0.54 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 134.7 | 172.4 | -155.2 | 177.2 | -175.9 | 178.8 | 0.4 | 109.5 | E198 A199 M200 | E198-R227 PolarHBondContact O-NE 2.72Å; E198-R227 PolarHBondContact O-NH2 3.18Å; E198-R227 IonicContact OE1-CZ 2.65Å; E198-R227 IonicContact OE1-NH2 2.61Å; E198-R227 PolarHBondContact OE1-NH2 2.85Å; A199-R227 CarbonylContact O-C 3.57Å; A199-R227 WeakPolarHBondContact O-CA 3.3Å; M200-R227 HydrophobicContact SD-CB 3.63Å; M200-R227 HydrophobicContact SD-CG 3.73Å |
| 228 | T | 94.9 | Very high | 79.5 | Confident | 5 Ų | 5 | 82 Ų | 82 | 3% | 0.031 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 145.9 | 164.9 | 52.9 | 0 | 0 | 0 | 0 | 109.7 | F146 L195 Q196 E198 A199 Y201 F226 | F146-T228 HydrophobicContact CE2-CG2 4.12Å; F146-T228 HydrophobicContact CZ-CG2 3.81Å; L195-T228 HydrophobicContact CB-CG2 3.9Å; L195-T228 HydrophobicContact CD1-CG2 3.92Å; Q196-T228 WeakPolarHBondContact O-CB 3.36Å; Q196-T228 WeakPolarHBondContact O-CG2 3.17Å; Q196-T228 PolarHBondContact O-OG1 3.24Å; E198-T228 WeakPolarHBondContact CA-O 3.36Å; E198-T228 PolarHBondContact N-O 2.89Å; E198-T228 PolarHBondContact N-OG1 2.68Å; A199-T228 PolarHBondContact N-OG1 2.94Å; A199-T228 PolarHBondContact O-N 2.85Å; A199-T228 PolarHBondContact O-OG1 2.75Å; Y201-T228 HydrophobicContact CD2-CG2 3.86Å; Y201-T228 HydrophobicContact CE2-CG2 3.89Å; F226-T228 HydrophobicContact CE2-CG2 4.29Å |
| 229 | P | 91.6 | Very high | 77.7 | Confident | 40 Ų | 40 | 85.8 Ų | 85.8 | 26% | 0.26 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 157.2 | 174.3 | 31.3 | -35.1 | 0 | 0 | 0 | 109.5 | Y139 E198 I231 | Y139-P229 HydrophobicContact CE1-CG 4.05Å; Y139-P229 HydrophobicContact CE2-CG 4.22Å; E198-P229 PolarHBondContact N-O 2.83Å; E198-P229 VanDerWaalsContact N-O 3.09Å; P229-I231 PolarHBondContact O-N 3.37Å |
| 230 | E | 85.2 | Confident | 76.4 | Confident | 124 Ų | 124 | 84.3 Ų | 84.3 | 58% | 0.579 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 130.6 | 163.2 | -168.3 | 175 | 172.8 | 0 | 0 | 108.4 | E198 N232 | E198-E230 HydrophobicContact CG-CB 4.31Å; E230-N232 PolarHBondContact O-N 3.35Å |
| 231 | I | 70.3 | Confident | 75.2 | Confident | 61 Ų | 61 | 85.6 Ų | 85.6 | 31% | 0.313 | 46% | 0.459 | S | S | . | . | trans | -74.9 | 101.7 | 165.7 | -67.2 | 167.7 | 0 | 0 | 0 | 105.4 | P197 P229 N233 | P197-I231 HydrophobicContact CB-CB 4.16Å; P197-I231 HydrophobicContact CB-CD1 3.92Å; P197-I231 HydrophobicContact CB-CG1 3.85Å; P197-I231 HydrophobicContact CG-CD1 4.32Å; P229-I231 PolarHBondContact O-N 3.37Å; I231-N233 WeakPolarHBondContact CG2-ND2 3.31Å; I231-N233 PolarHBondContact O-N 2.89Å; I231-N233 PolarHBondContact O-ND2 2.82Å | ||
| 232 | N | 57.2 | Low | 74.3 | Confident | 133 Ų | 133 | 90.6 Ų | 90.6 | 71% | 0.711 | 49% | 0.485 | S | S | * | . | trans | -60.8 | 79 | 166.9 | -77.7 | -21.4 | 0 | 0 | 0 | 109.4 | E230 S234 | E230-N232 PolarHBondContact O-N 3.35Å; N232-S234 PolarHBondContact O-N 2.88Å | ||
| 233 | N | 50.3 | Low | 73.6 | Confident | 121 Ų | 121 | 89.4 Ų | 89.4 | 65% | 0.647 | 47% | 0.472 | S | S | * | . | trans | -71.1 | 71.1 | 174.2 | -74.3 | -73.1 | 0 | 0 | 0 | 109.4 | I231 P235 | I231-N233 WeakPolarHBondContact CG2-ND2 3.31Å; I231-N233 PolarHBondContact O-N 2.89Å; I231-N233 PolarHBondContact O-ND2 2.82Å; N233-P235 WeakPolarHBondContact O-CD 3.3Å | ||
| 234 | S | 46.4 | Very low | 73 | Confident | 74 Ų | 74 | 91.4 Ų | 91.4 | 52% | 0.517 | 48% | 0.483 | S | S | . | . | trans | -56.2 | 117.1 | 131.9 | 62.6 | 0 | 0 | 0 | 0 | 105.4 | N232 G236 | N232-S234 PolarHBondContact O-N 2.88Å; S234-G236 CarbonylContact O-C 3.59Å; S234-G236 PolarHBondContact O-N 2.88Å | ||
| 235 | P | 42.3 | Very low | 72.6 | Confident | 110 Ų | 110 | 92.1 Ų | 92.1 | 71% | 0.714 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -75 | 81 | -164.2 | 28.1 | -34.6 | 0 | 0 | 0 | 110.6 | N233 | N233-P235 WeakPolarHBondContact O-CD 3.3Š|
| 236 | G | 49.7 | Very low | 72.3 | Confident | 49 Ų | 49 | 90.4 Ų | 90.4 | 51% | 0.505 | 50% | 0.496 | S | S | . | . | trans | 75.9 | 122.2 | -157.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | S234 M238 | S234-G236 CarbonylContact O-C 3.59Å; S234-G236 PolarHBondContact O-N 2.88Å; G236-M238 PolarHBondContact O-N 3.29Å | ||
| 237 | E | 51.3 | Low | 72.1 | Confident | 172 Ų | 172 | 93.5 Ų | 93.5 | 80% | 0.804 | 51% | 0.512 | S | S | * | . | trans | -68.7 | 66.6 | 142 | -168.4 | 164.5 | -160.3 | 0 | 0 | 107.5 | D239 | E237-D239 PolarHBondContact O-N 2.86Š| ||
| 238 | M | 56.6 | Low | 72 | Confident | 122 Ų | 122 | 92.6 Ų | 92.6 | 60% | 0.601 | 52% | 0.518 | S | S | * | . | trans | -63.6 | 100.4 | 157.2 | -57.8 | -173.5 | -157.7 | 0 | 0 | 104 | G236 L243 | G236-M238 PolarHBondContact O-N 3.29Å; M238-L243 HydrophobicContact CB-CD1 4.33Å; M238-L243 HydrophobicContact SD-CD1 3.92Å | ||
| 239 | D | 61.9 | Low | 71.9 | Confident | 86 Ų | 86 | 95.6 Ų | 95.6 | 46% | 0.46 | 54% | 0.539 | S | S | . | . | trans | -31.7 | 115.4 | 178.3 | -119.6 | -46.1 | 0 | 0 | 0 | 108.7 | E237 I241 L242 L243 | E237-D239 PolarHBondContact O-N 2.86Å; D239-I241 CarbonylContact O-C 3.51Å; D239-I241 PolarHBondContact O-N 2.6Å; D239-L242 HydrophobicContact CB-CB 3.52Å; D239-L242 CarbonylContact O-C 3.59Å; D239-L242 WeakPolarHBondContact O-CA 3.47Å; D239-L242 WeakPolarHBondContact O-CB 3.5Å; D239-L242 PolarHBondContact O-N 2.92Å; D239-L243 PolarHBondContact O-N 2.83Å | ||
| 240 | P | 69.1 | Low | 72.1 | Confident | 86 Ų | 86 | 100.8 Ų | 100.8 | 56% | 0.558 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -59.4 | -24.7 | -175.7 | 21.1 | -31.3 | 0 | 0 | 0 | 110.5 | T244 | P240-T244 WeakPolarHBondContact O-CB 3.17Å; P240-T244 VanDerWaalsContact O-CG2 3.26Å; P240-T244 WeakPolarHBondContact O-CG2 3.44Å; P240-T244 PolarHBondContact O-N 3.06Å; P240-T244 PolarHBondContact O-OG1 3.36Å |
| 241 | I | 74.9 | Confident | 72.5 | Confident | 111 Ų | 111 | 100.7 Ų | 100.7 | 57% | 0.569 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.3 | -51.4 | 167.2 | -58.9 | 171.8 | 0 | 0 | 0 | 111.7 | D239 T244 I245 | D239-I241 CarbonylContact O-C 3.51Å; D239-I241 PolarHBondContact O-N 2.6Å; I241-T244 PolarHBondContact O-N 2.92Å; I241-T244 PolarHBondContact O-OG1 3.17Å; I241-T244 VanDerWaalsContact O-OG1 3.08Å; I241-I245 HydrophobicContact CG2-CD1 3.73Å; I241-I245 VanDerWaalsContact O-CB 3.3Å; I241-I245 WeakPolarHBondContact O-CB 3.42Å; I241-I245 WeakPolarHBondContact O-CD1 3.4Å; I241-I245 WeakPolarHBondContact O-CG1 3.38Å; I241-I245 PolarHBondContact O-N 3.04Å |
| 242 | L | 79.3 | Confident | 73.6 | Confident | 110 Ų | 110 | 100.8 Ų | 100.8 | 58% | 0.576 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.5 | -41.6 | 178.4 | -176.4 | 61.1 | 0 | 0 | 0 | 112.2 | D239 I245 S246 | D239-L242 HydrophobicContact CB-CB 3.52Å; D239-L242 CarbonylContact O-C 3.59Å; D239-L242 WeakPolarHBondContact O-CA 3.47Å; D239-L242 WeakPolarHBondContact O-CB 3.5Å; D239-L242 PolarHBondContact O-N 2.92Å; L242-I245 PolarHBondContact O-N 3.48Å; L242-S246 WeakPolarHBondContact O-CB 3.39Å; L242-S246 PolarHBondContact O-N 3.36Å |
| 243 | L | 82.6 | Confident | 75.5 | Confident | 78 Ų | 78 | 98.3 Ų | 98.3 | 41% | 0.408 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.5 | -43.4 | 177.5 | -171.9 | 124.1 | 0 | 0 | 0 | 111.3 | M238 D239 S246 I247 | M238-L243 HydrophobicContact CB-CD1 4.33Å; M238-L243 HydrophobicContact SD-CD1 3.92Å; D239-L243 PolarHBondContact O-N 2.83Å; L243-S246 PolarHBondContact O-N 3.49Å; L243-I247 HydrophobicContact CD2-CD1 3.66Å; L243-I247 HydrophobicContact CG-CD1 4.11Å; L243-I247 WeakPolarHBondContact O-CD1 3.43Å; L243-I247 VanDerWaalsContact O-CG1 3.29Å; L243-I247 WeakPolarHBondContact O-CG1 3.39Å; L243-I247 PolarHBondContact O-N 2.95Å |
| 244 | T | 84.9 | Confident | 77.5 | Confident | 83 Ų | 83 | 94.2 Ų | 94.2 | 51% | 0.509 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.4 | -36 | 174.3 | 51.3 | 0 | 0 | 0 | 0 | 112.9 | P240 I241 I247 L248 | P240-T244 WeakPolarHBondContact O-CB 3.17Å; P240-T244 VanDerWaalsContact O-CG2 3.26Å; P240-T244 WeakPolarHBondContact O-CG2 3.44Å; P240-T244 PolarHBondContact O-N 3.06Å; P240-T244 PolarHBondContact O-OG1 3.36Å; I241-T244 PolarHBondContact O-N 2.92Å; I241-T244 PolarHBondContact O-OG1 3.17Å; I241-T244 VanDerWaalsContact O-OG1 3.08Å; T244-I247 PolarHBondContact O-N 2.96Å; T244-L248 WeakPolarHBondContact O-CB 3.41Å; T244-L248 PolarHBondContact O-N 3.03Å |
| 245 | I | 87.6 | Confident | 79.8 | Confident | 99 Ų | 99 | 95.8 Ų | 95.8 | 51% | 0.508 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 171.2 | -74.3 | 167 | 0 | 0 | 0 | 110.9 | I241 L242 L248 S249 | I241-I245 HydrophobicContact CG2-CD1 3.73Å; I241-I245 VanDerWaalsContact O-CB 3.3Å; I241-I245 WeakPolarHBondContact O-CB 3.42Å; I241-I245 WeakPolarHBondContact O-CD1 3.4Å; I241-I245 WeakPolarHBondContact O-CG1 3.38Å; I241-I245 PolarHBondContact O-N 3.04Å; L242-I245 PolarHBondContact O-N 3.48Å; I245-L248 PolarHBondContact O-N 3.26Å; I245-S249 WeakPolarHBondContact O-CB 3.35Å; I245-S249 PolarHBondContact O-N 2.81Å |
| 246 | S | 89.9 | Confident | 82.3 | Confident | 76 Ų | 76 | 95.7 Ų | 95.7 | 53% | 0.531 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.7 | -48.3 | 177.8 | -174.5 | 0 | 0 | 0 | 0 | 111.5 | L242 L243 S249 F250 | L242-S246 WeakPolarHBondContact O-CB 3.39Å; L242-S246 PolarHBondContact O-N 3.36Å; L243-S246 PolarHBondContact O-N 3.49Å; S246-S249 PolarHBondContact O-N 3.21Å; S246-F250 PolarHBondContact O-N 2.96Å |
| 247 | I | 91.9 | Very high | 84.4 | Confident | 80 Ų | 80 | 97.4 Ų | 97.4 | 41% | 0.41 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63 | -45.9 | 177.3 | -69.4 | 165.7 | 0 | 0 | 0 | 111.4 | L243 T244 S249 F250 F251 | L243-I247 HydrophobicContact CD2-CD1 3.66Å; L243-I247 HydrophobicContact CG-CD1 4.11Å; L243-I247 WeakPolarHBondContact O-CD1 3.43Å; L243-I247 VanDerWaalsContact O-CG1 3.29Å; L243-I247 WeakPolarHBondContact O-CG1 3.39Å; L243-I247 PolarHBondContact O-N 2.95Å; T244-I247 PolarHBondContact O-N 2.96Å; I247-S249 PolarHBondContact O-N 3.37Å; I247-F250 PolarHBondContact O-N 3.45Å; I247-F251 HydrophobicContact CG2-CD2 3.7Å; I247-F251 HydrophobicContact CG2-CE2 3.49Å; I247-F251 VanDerWaalsContact CG2-CE2 3.49Å; I247-F251 WeakPolarHBondContact O-CD2 3.46Å; I247-F251 PolarHBondContact O-N 2.81Å |
| 248 | L | 93.8 | Very high | 86.3 | Confident | 125 Ų | 125 | 94 Ų | 94 | 65% | 0.654 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.4 | -38.6 | 179.1 | -177.7 | 61.8 | 0 | 0 | 0 | 112 | T244 I245 F251 S252 | T244-L248 WeakPolarHBondContact O-CB 3.41Å; T244-L248 PolarHBondContact O-N 3.03Å; I245-L248 PolarHBondContact O-N 3.26Å; L248-F251 PolarHBondContact O-N 3.48Å; L248-S252 WeakPolarHBondContact O-CB 3.37Å; L248-S252 PolarHBondContact O-N 3.33Å |
| 249 | S | 93.4 | Very high | 87.9 | Confident | 68 Ų | 68 | 93 Ų | 93 | 48% | 0.476 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.8 | -47.5 | 173.6 | -175.9 | 0 | 0 | 0 | 0 | 111.1 | I245 S246 I247 F251 S252 V253 | I245-S249 WeakPolarHBondContact O-CB 3.35Å; I245-S249 PolarHBondContact O-N 2.81Å; S246-S249 PolarHBondContact O-N 3.21Å; I247-S249 PolarHBondContact O-N 3.37Å; S249-F251 PolarHBondContact O-N 2.84Å; S249-S252 WeakPolarHBondContact O-CB 3.22Å; S249-S252 PolarHBondContact O-N 3.37Å; S249-V253 WeakPolarHBondContact O-CG2 3.34Å; S249-V253 PolarHBondContact O-N 2.87Å |
| 250 | F | 94.8 | Very high | 89.2 | Confident | 148 Ų | 148 | 91.1 Ų | 91.1 | 65% | 0.649 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59 | -46.3 | 176.4 | -178.2 | -99.2 | 0 | 0 | 0 | 112.3 | S246 I247 S252 V253 A254 | S246-F250 PolarHBondContact O-N 2.96Å; I247-F250 PolarHBondContact O-N 3.45Å; F250-S252 PolarHBondContact O-N 2.93Å; F250-V253 PolarHBondContact O-N 3.39Å; F250-A254 WeakPolarHBondContact O-CB 3.37Å; F250-A254 PolarHBondContact O-N 3.34Å |
| 251 | F | 94.3 | Very high | 90 | Very high | 123 Ų | 123 | 91 Ų | 91 | 54% | 0.539 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.6 | -38.8 | 175 | -76.9 | -58.5 | 0 | 0 | 0 | 112.7 | I247 L248 S249 A254 L255 | I247-F251 HydrophobicContact CG2-CD2 3.7Å; I247-F251 HydrophobicContact CG2-CE2 3.49Å; I247-F251 VanDerWaalsContact CG2-CE2 3.49Å; I247-F251 WeakPolarHBondContact O-CD2 3.46Å; I247-F251 PolarHBondContact O-N 2.81Å; L248-F251 PolarHBondContact O-N 3.48Å; S249-F251 PolarHBondContact O-N 2.84Å; F251-A254 PolarHBondContact O-N 3.4Å; F251-L255 WeakPolarHBondContact O-CB 3.49Å; F251-L255 VanDerWaalsContact O-CG 3.27Å; F251-L255 WeakPolarHBondContact O-CG 3.43Å; F251-L255 PolarHBondContact O-N 2.93Å |
| 252 | S | 94.1 | Very high | 90.6 | Very high | 62 Ų | 62 | 88.5 Ų | 88.5 | 43% | 0.434 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.3 | -48.4 | 175.7 | -173.6 | 0 | 0 | 0 | 0 | 111.7 | L248 S249 F250 A254 L255 L256 | L248-S252 WeakPolarHBondContact O-CB 3.37Å; L248-S252 PolarHBondContact O-N 3.33Å; S249-S252 WeakPolarHBondContact O-CB 3.22Å; S249-S252 PolarHBondContact O-N 3.37Å; F250-S252 PolarHBondContact O-N 2.93Å; S252-A254 PolarHBondContact O-N 3.31Å; S252-L255 PolarHBondContact O-N 3.46Å; S252-L256 WeakPolarHBondContact O-CG 3.27Å; S252-L256 PolarHBondContact O-N 3.32Å |
| 253 | V | 95.5 | Very high | 90.7 | Very high | 82 Ų | 82 | 88 Ų | 88 | 50% | 0.497 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 176.2 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | S249 F250 L255 L256 V257 | S249-V253 WeakPolarHBondContact O-CG2 3.34Å; S249-V253 PolarHBondContact O-N 2.87Å; F250-V253 PolarHBondContact O-N 3.39Å; V253-L255 PolarHBondContact O-N 3.41Å; V253-L256 PolarHBondContact O-N 2.95Å; V253-V257 WeakPolarHBondContact O-CG2 3.32Å; V253-V257 PolarHBondContact O-N 3.45Å |
| 254 | A | 94.1 | Very high | 90.4 | Very high | 35 Ų | 35 | 92.3 Ų | 92.3 | 29% | 0.289 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.6 | -43 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F250 F251 S252 V257 I258 | F250-A254 WeakPolarHBondContact O-CB 3.37Å; F250-A254 PolarHBondContact O-N 3.34Å; F251-A254 PolarHBondContact O-N 3.4Å; S252-A254 PolarHBondContact O-N 3.31Å; A254-V257 PolarHBondContact O-N 2.91Å; A254-I258 VanDerWaalsContact O-CG1 3.26Å; A254-I258 WeakPolarHBondContact O-CG1 3.36Å; A254-I258 PolarHBondContact O-N 3.17Å |
| 255 | L | 94.6 | Very high | 90.1 | Very high | 107 Ų | 107 | 96.3 Ų | 96.3 | 56% | 0.56 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.1 | -41.5 | 175.2 | -73.9 | 168.3 | 0 | 0 | 0 | 112 | F251 S252 V253 I258 L259 | F251-L255 WeakPolarHBondContact O-CB 3.49Å; F251-L255 VanDerWaalsContact O-CG 3.27Å; F251-L255 WeakPolarHBondContact O-CG 3.43Å; F251-L255 PolarHBondContact O-N 2.93Å; S252-L255 PolarHBondContact O-N 3.46Å; V253-L255 PolarHBondContact O-N 3.41Å; L255-I258 PolarHBondContact O-N 3.45Å; L255-L259 WeakPolarHBondContact O-CB 3.38Å; L255-L259 VanDerWaalsContact O-CG 3.32Å; L255-L259 WeakPolarHBondContact O-CG 3.37Å; L255-L259 PolarHBondContact O-N 2.96Å |
| 256 | L | 93.5 | Very high | 89.5 | Confident | 108 Ų | 108 | 99 Ų | 99 | 57% | 0.565 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.1 | -41 | 175.4 | -71.2 | 171.3 | 0 | 0 | 0 | 112.1 | S252 V253 L259 A260 | S252-L256 WeakPolarHBondContact O-CG 3.27Å; S252-L256 PolarHBondContact O-N 3.32Å; V253-L256 PolarHBondContact O-N 2.95Å; L256-L259 PolarHBondContact O-N 3.24Å; L256-A260 WeakPolarHBondContact O-CB 3.43Å; L256-A260 PolarHBondContact O-N 3.32Å |
| 257 | V | 93.9 | Very high | 88.6 | Confident | 85 Ų | 85 | 104 Ų | 104 | 52% | 0.515 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.9 | -42.9 | 174.4 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | V253 A254 A260 C261 | V253-V257 WeakPolarHBondContact O-CG2 3.32Å; V253-V257 PolarHBondContact O-N 3.45Å; A254-V257 PolarHBondContact O-N 2.91Å; V257-A260 PolarHBondContact O-N 3.4Å; V257-C261 WeakPolarHBondContact O-CB 3.39Å; V257-C261 PolarHBondContact O-N 2.9Å; V257-C261 PolarHBondContact O-SG 3.42Å; V257-C261 VanDerWaalsContact O-SG 3.39Å |
| 258 | I | 91.6 | Very high | 87.4 | Confident | 101 Ų | 101 | 103.5 Ų | 103.5 | 52% | 0.518 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 175.7 | -68.3 | 163.8 | 0 | 0 | 0 | 110.8 | A254 L255 C261 V262 | A254-I258 VanDerWaalsContact O-CG1 3.26Å; A254-I258 WeakPolarHBondContact O-CG1 3.36Å; A254-I258 PolarHBondContact O-N 3.17Å; L255-I258 PolarHBondContact O-N 3.45Å; I258-C261 PolarHBondContact O-N 3.17Å; I258-V262 HydrophobicContact CG2-CG2 4.48Å; I258-V262 WeakPolarHBondContact O-CB 3.16Å; I258-V262 WeakPolarHBondContact O-CG2 3.46Å; I258-V262 PolarHBondContact O-N 2.73Å |
| 259 | L | 90.5 | Very high | 86 | Confident | 100 Ų | 100 | 104.1 Ų | 104.1 | 52% | 0.524 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.3 | -45.9 | 175.1 | -78.4 | 162.6 | 0 | 0 | 0 | 111.5 | L255 L256 C261 V262 L263 | L255-L259 WeakPolarHBondContact O-CB 3.38Å; L255-L259 VanDerWaalsContact O-CG 3.32Å; L255-L259 WeakPolarHBondContact O-CG 3.37Å; L255-L259 PolarHBondContact O-N 2.96Å; L256-L259 PolarHBondContact O-N 3.24Å; L259-C261 PolarHBondContact O-N 3.3Å; L259-V262 PolarHBondContact O-N 2.87Å; L259-L263 WeakPolarHBondContact O-CB 3.15Å; L259-L263 VanDerWaalsContact O-CG 3.27Å; L259-L263 WeakPolarHBondContact O-CG 3.3Å; L259-L263 PolarHBondContact O-N 3.18Å |
| 260 | A | 88.3 | Confident | 84.6 | Confident | 47 Ų | 47 | 104.4 Ų | 104.4 | 39% | 0.388 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.9 | -46.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L256 V257 V262 L263 W264 | L256-A260 WeakPolarHBondContact O-CB 3.43Å; L256-A260 PolarHBondContact O-N 3.32Å; V257-A260 PolarHBondContact O-N 3.4Å; A260-V262 PolarHBondContact O-N 2.84Å; A260-L263 PolarHBondContact O-N 2.98Å; A260-W264 WeakPolarHBondContact O-CB 3.39Å; A260-W264 PolarHBondContact O-N 3.24Å |
| 261 | C | 86.7 | Confident | 83.2 | Confident | 82 Ų | 82 | 103.7 Ų | 103.7 | 55% | 0.554 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62 | -39.7 | 175.8 | -75.1 | 0 | 0 | 0 | 0 | 113.1 | V257 I258 L259 K265 | V257-C261 WeakPolarHBondContact O-CB 3.39Å; V257-C261 PolarHBondContact O-N 2.9Å; V257-C261 PolarHBondContact O-SG 3.42Å; V257-C261 VanDerWaalsContact O-SG 3.39Å; I258-C261 PolarHBondContact O-N 3.17Å; L259-C261 PolarHBondContact O-N 3.3Å; C261-K265 WeakPolarHBondContact O-CB 3.34Å; C261-K265 PolarHBondContact O-N 2.88Å |
| 262 | V | 86.3 | Confident | 81.8 | Confident | 60 Ų | 60 | 103 Ų | 103 | 36% | 0.364 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.1 | -40.1 | 176.3 | 169.6 | 0 | 0 | 0 | 0 | 111.5 | I258 L259 A260 K265 K266 | I258-V262 HydrophobicContact CG2-CG2 4.48Å; I258-V262 WeakPolarHBondContact O-CB 3.16Å; I258-V262 WeakPolarHBondContact O-CG2 3.46Å; I258-V262 PolarHBondContact O-N 2.73Å; L259-V262 PolarHBondContact O-N 2.87Å; A260-V262 PolarHBondContact O-N 2.84Å; V262-K265 PolarHBondContact O-N 3.44Å; V262-K266 HydrophobicContact CG1-CD 3.86Å; V262-K266 HydrophobicContact CG1-CG 4.4Å; V262-K266 WeakPolarHBondContact O-CB 3.38Å; V262-K266 WeakPolarHBondContact O-CG 3.32Å; V262-K266 PolarHBondContact O-N 3.08Å |
| 263 | L | 82 | Confident | 80.2 | Confident | 99 Ų | 99 | 108.3 Ų | 108.3 | 52% | 0.518 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.1 | -40.7 | 174.8 | -71.3 | 169.1 | 0 | 0 | 0 | 111.5 | L259 A260 K265 K266 R267 I268 | L259-L263 WeakPolarHBondContact O-CB 3.15Å; L259-L263 VanDerWaalsContact O-CG 3.27Å; L259-L263 WeakPolarHBondContact O-CG 3.3Å; L259-L263 PolarHBondContact O-N 3.18Å; A260-L263 PolarHBondContact O-N 2.98Å; L263-K265 PolarHBondContact O-N 3.08Å; L263-K266 PolarHBondContact O-N 3.19Å; L263-R267 WeakPolarHBondContact O-CB 3.33Å; L263-R267 PolarHBondContact O-N 3.08Å; L263-I268 PolarHBondContact O-N 3.44Å |
| 264 | W | 76.5 | Confident | 78.6 | Confident | 169 Ų | 169 | 108.7 Ų | 108.7 | 64% | 0.64 | 55% | 0.549 | S | S | * | . | I | π-helix | trans | -55.4 | -51 | 169.9 | -97.5 | 67.8 | 0 | 0 | 0 | 111.3 | A260 K266 I268 K269 | A260-W264 WeakPolarHBondContact O-CB 3.39Å; A260-W264 PolarHBondContact O-N 3.24Å; W264-K266 PolarHBondContact O-N 3.47Å; W264-I268 HydrophobicContact CD2-CD1 4.39Å; W264-I268 HydrophobicContact CG-CD1 4.08Å; W264-I268 PolarHBondContact O-N 3.25Å; W264-K269 WeakPolarHBondContact O-CB 3.43Å; W264-K269 PolarHBondContact O-N 2.86Å |
| 265 | K | 78.6 | Confident | 76.9 | Confident | 167 Ų | 167 | 112.4 Ų | 112.4 | 73% | 0.726 | 57% | 0.573 | S | S | * | * | I | π-helix | trans | -65.3 | -34.8 | -179.7 | -172.6 | 173.2 | 179.3 | 177.1 | 0 | 113.5 | C261 V262 L263 | C261-K265 WeakPolarHBondContact O-CB 3.34Å; C261-K265 PolarHBondContact O-N 2.88Å; V262-K265 PolarHBondContact O-N 3.44Å; L263-K265 PolarHBondContact O-N 3.08Å |
| 266 | K | 75.4 | Confident | 75.2 | Confident | 156 Ų | 156 | 113.6 Ų | 113.6 | 68% | 0.678 | 58% | 0.579 | S | S | * | * | I | π-helix | trans | -92.8 | -30.1 | -175.2 | -72.8 | -178 | 177.4 | 179.5 | 0 | 115.3 | V262 L263 W264 | V262-K266 HydrophobicContact CG1-CD 3.86Å; V262-K266 HydrophobicContact CG1-CG 4.4Å; V262-K266 WeakPolarHBondContact O-CB 3.38Å; V262-K266 WeakPolarHBondContact O-CG 3.32Å; V262-K266 PolarHBondContact O-N 3.08Å; L263-K266 PolarHBondContact O-N 3.19Å; W264-K266 PolarHBondContact O-N 3.47Å |
| 267 | R | 70.9 | Confident | 73.5 | Confident | 181 Ų | 181 | 113.4 Ų | 113.4 | 68% | 0.683 | 58% | 0.584 | S | S | * | * | I | π-helix | trans | -115.9 | -54.1 | -174.5 | -66.5 | -66.8 | -159.2 | 169.3 | 5.9 | 112.5 | L263 P270 I271 | L263-R267 WeakPolarHBondContact O-CB 3.33Å; L263-R267 PolarHBondContact O-N 3.08Å; R267-P270 WeakPolarHBondContact O-CD 3.27Å; R267-P270 WeakPolarHBondContact O-CG 3.5Å; R267-I271 VanDerWaalsContact O-CD1 3.31Å; R267-I271 WeakPolarHBondContact O-CD1 3.37Å; R267-I271 VanDerWaalsContact O-CG1 3.3Å; R267-I271 WeakPolarHBondContact O-CG1 3.26Å |
| 268 | I | 66.7 | Low | 71.8 | Confident | 68 Ų | 68 | 113 Ų | 113 | 35% | 0.349 | 58% | 0.579 | S | S | . | * | I | π-helix | trans | -77.3 | -47.2 | -169.2 | -60.5 | 172.1 | 0 | 0 | 0 | 111.2 | L263 W264 I271 V272 | L263-I268 PolarHBondContact O-N 3.44Å; W264-I268 HydrophobicContact CD2-CD1 4.39Å; W264-I268 HydrophobicContact CG-CD1 4.08Å; W264-I268 PolarHBondContact O-N 3.25Å; I268-I271 PolarHBondContact O-N 2.98Å; I268-V272 HydrophobicContact CG2-CG2 3.71Å; I268-V272 PolarHBondContact O-N 3.02Å |
| 269 | K | 65.1 | Low | 70.1 | Confident | 138 Ų | 138 | 114.8 Ų | 114.8 | 60% | 0.6 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -52.2 | -50.3 | -179.7 | -175.5 | 167.8 | -177.1 | 169.3 | 0 | 113.9 | W264 I271 W273 | W264-K269 WeakPolarHBondContact O-CB 3.43Å; W264-K269 PolarHBondContact O-N 2.86Å; K269-I271 VanDerWaalsContact C-N 3.27Å; K269-I271 PolarHBondContact O-N 3.03Å; K269-W273 CarbonylContact O-C 3.6Å; K269-W273 WeakPolarHBondContact O-CA 3.22Å; K269-W273 PolarHBondContact O-N 2.72Å; K269-W273 VanDerWaalsContact O-O 3.07Å |
| 270 | P | 64.2 | Low | 68.5 | Low | 74 Ų | 74 | 116.2 Ų | 116.2 | 48% | 0.481 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -72.2 | -14.3 | 179.2 | 28.8 | -36.4 | 0 | 0 | 0 | 114.8 | R267 | R267-P270 WeakPolarHBondContact O-CD 3.27Å; R267-P270 WeakPolarHBondContact O-CG 3.5Å |
| 271 | I | 65.5 | Low | 67.1 | Low | 134 Ų | 134 | 120.9 Ų | 120.9 | 69% | 0.687 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -89 | -46.4 | 176.8 | -68.4 | 174 | 0 | 0 | 0 | 110.8 | R267 I268 K269 | R267-I271 VanDerWaalsContact O-CD1 3.31Å; R267-I271 WeakPolarHBondContact O-CD1 3.37Å; R267-I271 VanDerWaalsContact O-CG1 3.3Å; R267-I271 WeakPolarHBondContact O-CG1 3.26Å; I268-I271 PolarHBondContact O-N 2.98Å; K269-I271 VanDerWaalsContact C-N 3.27Å; K269-I271 PolarHBondContact O-N 3.03Å |
| 272 | V | 64.6 | Low | 65.7 | Low | 107 Ų | 107 | 120.2 Ų | 120.2 | 65% | 0.648 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -80.7 | -31.6 | -178.2 | 179.1 | 0 | 0 | 0 | 0 | 111.8 | I268 | I268-V272 HydrophobicContact CG2-CG2 3.71Å; I268-V272 PolarHBondContact O-N 3.02Å |
| 273 | W | 60.3 | Low | 64.4 | Low | 175 Ų | 175 | 122.1 Ų | 122.1 | 66% | 0.663 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -128.2 | 81 | 176.7 | -156.8 | -78.8 | 0 | 0 | 0 | 109.7 | K269 S275 L276 | K269-W273 CarbonylContact O-C 3.6Å; K269-W273 WeakPolarHBondContact O-CA 3.22Å; K269-W273 PolarHBondContact O-N 2.72Å; K269-W273 VanDerWaalsContact O-O 3.07Å; W273-S275 PolarHBondContact O-N 3.38Å; W273-L276 HydrophobicContact CZ2-CD1 4.36Å |
| 274 | P | 60.7 | Low | 63.3 | Low | 90 Ų | 90 | 122.9 Ų | 122.9 | 58% | 0.584 | 60% | 0.601 | S | S | * | * | trans | -53.3 | 137.6 | 172.1 | 24 | -34.1 | 0 | 0 | 0 | 109.2 | L276 | P274-L276 PolarHBondContact O-N 3.09Š| ||
| 275 | S | 59.9 | Low | 62.4 | Low | 112 Ų | 112 | 121.8 Ų | 121.8 | 78% | 0.783 | 60% | 0.602 | S | S | * | * | trans | -64.6 | 101.6 | -178.6 | 53.8 | 0 | 0 | 0 | 0 | 109.6 | W273 | W273-S275 PolarHBondContact O-N 3.38Š| ||
| 276 | L | 57.9 | Low | 61.4 | Low | 133 Ų | 133 | 120.2 Ų | 120.2 | 70% | 0.696 | 60% | 0.601 | S | S | * | * | trans | -43.2 | 126.4 | 173 | -80.7 | 146.5 | 0 | 0 | 0 | 109.1 | W273 P274 D278 | W273-L276 HydrophobicContact CZ2-CD1 4.36Å; P274-L276 PolarHBondContact O-N 3.09Å; L276-D278 PolarHBondContact O-N 2.91Å | ||
| 277 | P | 57.3 | Low | 60.5 | Low | 103 Ų | 103 | 117.4 Ų | 117.4 | 67% | 0.669 | 60% | 0.6 | S | S | * | * | trans | -52.9 | 132.5 | -178.7 | -27.2 | 34.7 | 0 | 0 | 0 | 110.2 | H279 | P277-H279 PolarHBondContact O-N 3.38Š| ||
| 278 | D | 58.8 | Low | 59.6 | Low | 77 Ų | 77 | 116.1 Ų | 116.1 | 41% | 0.412 | 60% | 0.6 | S | S | . | * | trans | -58.3 | 109.4 | -179.1 | 177.7 | 11 | 0 | 0 | 0 | 109.5 | L276 K280 K281 T282 | L276-D278 PolarHBondContact O-N 2.91Å; D278-K280 PolarHBondContact O-N 3.5Å; D278-K280 WeakPolarHBondContact OD1-CB 3.5Å; D278-K280 PolarHBondContact OD1-N 2.83Å; D278-K280 VanDerWaalsContact OD1-N 3.08Å; D278-K281 PolarHBondContact O-N 2.88Å; D278-T282 PolarHBondContact O-N 3.43Å; D278-T282 VanDerWaalsContact O-N 3.08Å; D278-T282 PolarHBondContact O-OG1 2.89Å | ||
| 279 | H | 55.4 | Low | 58.7 | Low | 138 Ų | 138 | 121.3 Ų | 121.3 | 64% | 0.639 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -46.7 | -35.2 | 179.4 | 64.3 | -39.1 | 0 | 0 | 0 | 112.6 | P277 T282 L283 | P277-H279 PolarHBondContact O-N 3.38Å; H279-T282 PolarHBondContact O-N 2.77Å; H279-L283 WeakPolarHBondContact O-CB 3.47Å; H279-L283 PolarHBondContact O-N 3.08Å |
| 280 | K | 57 | Low | 57.8 | Low | 131 Ų | 131 | 119.7 Ų | 119.7 | 57% | 0.57 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -66.9 | -45.1 | 179.8 | -166 | 172.5 | -177.7 | 177.3 | 0 | 112.2 | D278 L283 E284 | D278-K280 PolarHBondContact O-N 3.5Å; D278-K280 WeakPolarHBondContact OD1-CB 3.5Å; D278-K280 PolarHBondContact OD1-N 2.83Å; D278-K280 VanDerWaalsContact OD1-N 3.08Å; K280-L283 PolarHBondContact O-N 3.03Å; K280-E284 WeakPolarHBondContact O-CB 3.29Å; K280-E284 WeakPolarHBondContact O-CG 3.37Å; K280-E284 PolarHBondContact O-N 2.96Å |
| 281 | K | 60.3 | Low | 56.8 | Low | 145 Ų | 145 | 127.6 Ų | 127.6 | 63% | 0.63 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -69.8 | -34.7 | 176 | -69.3 | -174.1 | 178 | -178.6 | 0 | 112.5 | D278 E284 H285 | D278-K281 PolarHBondContact O-N 2.88Å; K281-E284 PolarHBondContact O-N 3.28Å; K281-H285 PolarHBondContact O-N 3.29Å; K281-H285 VanDerWaalsContact O-N 3.08Å |
| 282 | T | 57.5 | Low | 56 | Low | 68 Ų | 68 | 130.3 Ų | 130.3 | 42% | 0.417 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -67.5 | -43.2 | 176 | -50.7 | 0 | 0 | 0 | 0 | 110.8 | D278 H279 H285 L286 | D278-T282 PolarHBondContact O-N 3.43Å; D278-T282 VanDerWaalsContact O-N 3.08Å; D278-T282 PolarHBondContact O-OG1 2.89Å; H279-T282 PolarHBondContact O-N 2.77Å; T282-H285 PolarHBondContact O-N 3.48Å; T282-L286 HydrophobicContact CG2-CD1 4.33Å; T282-L286 PolarHBondContact O-N 3.43Å; T282-L286 VanDerWaalsContact O-N 3.08Å |
| 283 | L | 57.3 | Low | 55.2 | Low | 100 Ų | 100 | 132.7 Ų | 132.7 | 52% | 0.524 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -64.4 | -41.3 | 172 | -86 | 162.7 | 0 | 0 | 0 | 112.6 | H279 K280 H285 L286 C287 | H279-L283 WeakPolarHBondContact O-CB 3.47Å; H279-L283 PolarHBondContact O-N 3.08Å; K280-L283 PolarHBondContact O-N 3.03Å; L283-H285 PolarHBondContact O-N 2.83Å; L283-L286 PolarHBondContact O-N 3.43Å; L283-C287 VanDerWaalsContact O-CB 3.22Å; L283-C287 WeakPolarHBondContact O-CB 3.26Å; L283-C287 PolarHBondContact O-N 2.84Å; L283-C287 PolarHBondContact O-SG 2.77Å |
| 284 | E | 59.6 | Low | 54.5 | Low | 115 Ų | 115 | 131.5 Ų | 131.5 | 54% | 0.537 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -60.3 | -28.6 | 173.1 | -78.2 | 171.8 | -169.2 | 0 | 0 | 112.8 | K280 K281 K288 | K280-E284 WeakPolarHBondContact O-CB 3.29Å; K280-E284 WeakPolarHBondContact O-CG 3.37Å; K280-E284 PolarHBondContact O-N 2.96Å; K281-E284 PolarHBondContact O-N 3.28Å; E284-K288 WeakPolarHBondContact O-CG 3.32Å |
| 285 | H | 57.5 | Low | 53.7 | Low | 145 Ų | 145 | 135.1 Ų | 135.1 | 67% | 0.671 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -82.8 | -26.1 | 176.9 | -144.5 | -60.6 | 0 | 0 | 0 | 113.8 | K281 T282 L283 | K281-H285 PolarHBondContact O-N 3.29Å; K281-H285 VanDerWaalsContact O-N 3.08Å; T282-H285 PolarHBondContact O-N 3.48Å; L283-H285 PolarHBondContact O-N 2.83Å |
| 286 | L | 57.6 | Low | 53 | Low | 134 Ų | 134 | 134.9 Ų | 134.9 | 70% | 0.702 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -86.9 | -36.7 | 174.9 | -74.7 | 164.7 | 0 | 0 | 0 | 112.8 | T282 L283 K288 | T282-L286 HydrophobicContact CG2-CD1 4.33Å; T282-L286 PolarHBondContact O-N 3.43Å; T282-L286 VanDerWaalsContact O-N 3.08Å; L283-L286 PolarHBondContact O-N 3.43Å; L286-K288 PolarHBondContact O-N 3.08Å |
| 287 | C | 56.8 | Low | 52.4 | Low | 98 Ų | 98 | 133.5 Ų | 133.5 | 66% | 0.662 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -76.6 | 0.1 | 176.6 | -68.7 | 0 | 0 | 0 | 0 | 113.5 | L283 K289 | L283-C287 VanDerWaalsContact O-CB 3.22Å; L283-C287 WeakPolarHBondContact O-CB 3.26Å; L283-C287 PolarHBondContact O-N 2.84Å; L283-C287 PolarHBondContact O-SG 2.77Å; C287-K289 PolarHBondContact O-N 3.45Å |
| 288 | K | 52.4 | Low | 51.8 | Low | 153 Ų | 153 | 136.8 Ų | 136.8 | 67% | 0.665 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -68.9 | 82.2 | 164 | -88.8 | 175.8 | -179.1 | 174.3 | 0 | 110.1 | E284 L286 | E284-K288 WeakPolarHBondContact O-CG 3.32Å; L286-K288 PolarHBondContact O-N 3.08Å |
| 289 | K | 46.8 | Very low | 51 | Low | 177 Ų | 177 | 137.4 Ų | 137.4 | 77% | 0.77 | 68% | 0.682 | S | S | * | * | trans | -12.5 | 114.1 | 171.3 | -168.6 | 175 | -166.6 | 165.6 | 0 | 113.6 | C287 | C287-K289 PolarHBondContact O-N 3.45Š| ||
| 290 | P | 47 | Very low | 50.9 | Low | 104 Ų | 104 | 135.5 Ų | 135.5 | 68% | 0.675 | 68% | 0.682 | S | S | * | * | trans | -58.3 | 143.4 | 178.9 | 24.2 | -33.5 | 0 | 0 | 0 | 110.5 | K292 | P290-K292 PolarHBondContact O-N 3Š| ||
| 291 | R | 42.4 | Very low | 50.6 | Low | 240 Ų | 240 | 135.5 Ų | 135.5 | 91% | 0.906 | 68% | 0.684 | S | S | * | * | trans | -58.7 | 133.8 | 172.5 | -83.3 | -176.9 | 168.1 | 178.5 | -3.7 | 108.8 | N293 | R291-N293 PolarHBondContact O-N 2.92Š| ||
| 292 | K | 49 | Very low | 50.3 | Low | 192 Ų | 192 | 132.7 Ų | 132.7 | 84% | 0.835 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -64 | 94.5 | 176.3 | -70.2 | -175.7 | 174.8 | -172.6 | 0 | 110 | P290 | P290-K292 PolarHBondContact O-N 3Š|
| 293 | N | 48.1 | Very low | 50 | Low | 157 Ų | 157 | 136.6 Ų | 136.6 | 84% | 0.84 | 69% | 0.694 | S | S | * | * | trans | 165.5 | 81.1 | 146.5 | -84.5 | -16 | 0 | 0 | 0 | 109.1 | R291 | R291-N293 PolarHBondContact O-N 2.92Š| ||
| 294 | L | 45.4 | Very low | 49.8 | Very low | 150 Ų | 150 | 138 Ų | 138 | 79% | 0.785 | 70% | 0.701 | S | S | * | * | trans | -110 | 106.6 | 155.8 | -73.6 | 175.2 | 0 | 0 | 0 | 106.4 | V296 | L294-V296 PolarHBondContact O-N 2.85Å; L294-V296 VanDerWaalsContact O-N 3.14Å | ||
| 295 | N | 43 | Very low | 49.2 | Very low | 166 Ų | 166 | 140.5 Ų | 140.5 | 89% | 0.888 | 72% | 0.718 | S | S | * | * | trans | -82.3 | 91.3 | -176.6 | -157.5 | 30.2 | 0 | 0 | 0 | 108.1 | S297 | N295-S297 VanDerWaalsContact C-N 3.31Å; N295-S297 PolarHBondContact O-N 3.26Å | ||
| 296 | V | 45.6 | Very low | 48.7 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 64% | 0.642 | 72% | 0.719 | S | S | * | * | trans | -74 | 85 | -174.1 | -173.7 | 0 | 0 | 0 | 0 | 110 | L294 F298 | L294-V296 PolarHBondContact O-N 2.85Å; L294-V296 VanDerWaalsContact O-N 3.14Å; V296-F298 HydrophobicContact CG1-CD2 3.81Å; V296-F298 HydrophobicContact CG1-CE2 3.59Å; V296-F298 HydrophobicContact CG1-CZ 4.31Å; V296-F298 PolarHBondContact O-N 2.9Å | ||
| 297 | S | 46.6 | Very low | 48.3 | Very low | 105 Ų | 105 | 141 Ų | 141 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | trans | -78.3 | 102.2 | 168.2 | -173.3 | 0 | 0 | 0 | 0 | 108.9 | N295 N299 | N295-S297 VanDerWaalsContact C-N 3.31Å; N295-S297 PolarHBondContact O-N 3.26Å; S297-N299 PolarHBondContact O-N 2.86Å; S297-N299 VanDerWaalsContact O-N 3.14Å | ||
| 298 | F | 43.9 | Very low | 48 | Very low | 171 Ų | 171 | 143.7 Ų | 143.7 | 75% | 0.75 | 73% | 0.734 | S | S | * | * | trans | -70.3 | 102.5 | 167.9 | -83.3 | -90.1 | 0 | 0 | 0 | 109 | V296 | V296-F298 HydrophobicContact CG1-CD2 3.81Å; V296-F298 HydrophobicContact CG1-CE2 3.59Å; V296-F298 HydrophobicContact CG1-CZ 4.31Å; V296-F298 PolarHBondContact O-N 2.9Å | ||
| 299 | N | 42.8 | Very low | 47.7 | Very low | 91 Ų | 91 | 144.2 Ų | 144.2 | 49% | 0.487 | 74% | 0.738 | S | S | . | * | trans | -92.6 | 110.5 | 167.4 | -176.1 | 11.8 | 0 | 0 | 0 | 108.8 | S297 E301 S302 | S297-N299 PolarHBondContact O-N 2.86Å; S297-N299 VanDerWaalsContact O-N 3.14Å; N299-E301 PolarHBondContact O-N 3.33Å; N299-E301 PolarHBondContact OD1-N 2.93Å; N299-S302 PolarHBondContact O-N 3.48Å; N299-S302 PolarHBondContact O-OG 3.47Å | ||
| 300 | P | 51.5 | Low | 47.8 | Very low | 98 Ų | 98 | 144.6 Ų | 144.6 | 64% | 0.636 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -65.3 | -22.1 | -175.9 | 26.5 | -34.5 | 0 | 0 | 0 | 113.5 | S302 | P300-S302 PolarHBondContact O-N 2.9Š|
| 301 | E | 52.4 | Low | 48 | Very low | 130 Ų | 130 | 144.3 Ų | 144.3 | 61% | 0.607 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -65.6 | -16.6 | 178.7 | -61.5 | -62.5 | 134.3 | 0 | 0 | 113.6 | N299 F303 | N299-E301 PolarHBondContact O-N 3.33Å; N299-E301 PolarHBondContact OD1-N 2.93Å; E301-F303 PolarHBondContact O-N 2.91Å |
| 302 | S | 53.8 | Low | 48.3 | Very low | 86 Ų | 86 | 136.8 Ų | 136.8 | 60% | 0.601 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -82 | 11.2 | -178.8 | 77.7 | 0 | 0 | 0 | 0 | 114.9 | N299 P300 | N299-S302 PolarHBondContact O-N 3.48Å; N299-S302 PolarHBondContact O-OG 3.47Å; P300-S302 PolarHBondContact O-N 2.9Å |
| 303 | F | 50.2 | Low | 48.4 | Very low | 150 Ų | 150 | 135 Ų | 135 | 66% | 0.658 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -114.2 | 8.8 | -179 | -71.6 | -81.9 | 0 | 0 | 0 | 113.9 | E301 D305 | E301-F303 PolarHBondContact O-N 2.91Å; F303-D305 VanDerWaalsContact C-N 3.35Å; F303-D305 PolarHBondContact O-N 3.5Å |
| 304 | L | 52.9 | Low | 48.3 | Very low | 129 Ų | 129 | 134.9 Ų | 134.9 | 68% | 0.675 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -17.6 | -179.7 | -77.7 | 163.6 | 0 | 0 | 0 | 114.7 | C306 | L304-C306 VanDerWaalsContact C-N 3.28Å; L304-C306 PolarHBondContact O-N 3Å |
| 305 | D | 48.6 | Very low | 48.1 | Very low | 168 Ų | 168 | 135.5 Ų | 135.5 | 90% | 0.898 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | 6.8 | -176 | -85.4 | -22.6 | 0 | 0 | 0 | 115.2 | F303 | F303-D305 VanDerWaalsContact C-N 3.35Å; F303-D305 PolarHBondContact O-N 3.5Å |
| 306 | C | 45.3 | Very low | 48.4 | Very low | 100 Ų | 100 | 132 Ų | 132 | 68% | 0.676 | 70% | 0.698 | S | S | * | * | trans | -101.8 | 90.4 | 171 | -79.1 | 0 | 0 | 0 | 0 | 111.1 | L304 I308 | L304-C306 VanDerWaalsContact C-N 3.28Å; L304-C306 PolarHBondContact O-N 3Å; C306-I308 VanDerWaalsContact C-N 3.28Å; C306-I308 HydrophobicContact CB-CG1 4.48Å; C306-I308 PolarHBondContact O-N 3.48Å | ||
| 307 | Q | 49.2 | Very low | 48.2 | Very low | 191 Ų | 191 | 136.5 Ų | 136.5 | 89% | 0.893 | 70% | 0.704 | S | S | * | * | trans | -65.7 | 92.1 | 159.1 | -72.9 | -170.1 | 6.1 | 0 | 0 | 109.1 | H309 | Q307-H309 VanDerWaalsContact C-N 3.3Å; Q307-H309 PolarHBondContact O-N 2.85Å | ||
| 308 | I | 52.3 | Low | 48.1 | Very low | 153 Ų | 153 | 138.4 Ų | 138.4 | 79% | 0.785 | 71% | 0.706 | S | S | * | * | trans | -69.4 | 91.8 | 171.8 | -59 | 175.1 | 0 | 0 | 0 | 107.4 | C306 R310 | C306-I308 VanDerWaalsContact C-N 3.28Å; C306-I308 HydrophobicContact CB-CG1 4.48Å; C306-I308 PolarHBondContact O-N 3.48Å; I308-R310 PolarHBondContact O-N 3.36Å | ||
| 309 | H | 46.1 | Very low | 47.8 | Very low | 164 Ų | 164 | 138 Ų | 138 | 76% | 0.759 | 71% | 0.706 | S | S | * | * | trans | -68.1 | 101.4 | 173.7 | -166.8 | 76.2 | 0 | 0 | 0 | 108.5 | Q307 V311 | Q307-H309 VanDerWaalsContact C-N 3.3Å; Q307-H309 PolarHBondContact O-N 2.85Å; H309-V311 PolarHBondContact O-N 3Å | ||
| 310 | R | 47.2 | Very low | 47.5 | Very low | 186 Ų | 186 | 140 Ų | 140 | 70% | 0.702 | 72% | 0.722 | S | S | * | * | trans | -70.3 | 92.5 | 178.7 | -178.5 | 177.3 | 171.2 | -159.7 | -17 | 109.2 | I308 D312 | I308-R310 PolarHBondContact O-N 3.36Å; R310-D312 VanDerWaalsContact C-N 3.25Å; R310-D312 IonicContact CZ-OD1 3.22Å; R310-D312 IonicContact CZ-OD2 2.63Å; R310-D312 IonicContact NE-OD1 3.68Å; R310-D312 PolarHBondContact NE-OD1 2.99Å; R310-D312 IonicContact NE-OD2 2.65Å; R310-D312 PolarHBondContact NE-OD2 2.79Å; R310-D312 IonicContact NH1-OD2 3.41Å; R310-D312 IonicContact NH2-OD1 2.76Å; R310-D312 PolarHBondContact NH2-OD1 2.87Å; R310-D312 IonicContact NH2-OD2 3.89Å; R310-D312 PolarHBondContact NH2-OD2 3.06Å; R310-D312 PolarHBondContact O-N 2.87Å | ||
| 311 | V | 51.2 | Low | 47.1 | Very low | 98 Ų | 98 | 144.4 Ų | 144.4 | 59% | 0.594 | 73% | 0.734 | S | S | * | * | trans | -74.1 | 86.8 | 162.6 | -175.7 | 0 | 0 | 0 | 0 | 107.3 | H309 I314 | H309-V311 PolarHBondContact O-N 3Å; V311-I314 HydrophobicContact CG1-CG1 4.33Å | ||
| 312 | D | 49.2 | Very low | 46 | Very low | 81 Ų | 81 | 141.8 Ų | 141.8 | 43% | 0.433 | 74% | 0.742 | S | S | . | * | trans | -64.6 | 163.8 | 151.3 | -68.6 | -49.4 | 0 | 0 | 0 | 109.1 | R310 | R310-D312 VanDerWaalsContact C-N 3.25Å; R310-D312 IonicContact CZ-OD1 3.22Å; R310-D312 IonicContact CZ-OD2 2.63Å; R310-D312 IonicContact NE-OD1 3.68Å; R310-D312 PolarHBondContact NE-OD1 2.99Å; R310-D312 IonicContact NE-OD2 2.65Å; R310-D312 PolarHBondContact NE-OD2 2.79Å; R310-D312 IonicContact NH1-OD2 3.41Å; R310-D312 IonicContact NH2-OD1 2.76Å; R310-D312 PolarHBondContact NH2-OD1 2.87Å; R310-D312 IonicContact NH2-OD2 3.89Å; R310-D312 PolarHBondContact NH2-OD2 3.06Å; R310-D312 PolarHBondContact O-N 2.87Å | ||
| 313 | D | 50.6 | Low | 44.7 | Very low | 154 Ų | 154 | 146.7 Ų | 146.7 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | trans | 62.8 | 52.8 | 171.3 | -54.4 | -25.9 | 0 | 0 | 0 | 117.3 | ||||
| 314 | I | 46.4 | Very low | 43.8 | Very low | 155 Ų | 155 | 145.7 Ų | 145.7 | 80% | 0.795 | 75% | 0.754 | S | S | * | * | trans | -94.1 | 84.4 | 137.1 | -56.9 | -176.8 | 0 | 0 | 0 | 107.5 | V311 A316 | V311-I314 HydrophobicContact CG1-CG1 4.33Å; I314-A316 PolarHBondContact O-N 2.62Å | ||
| 315 | Q | 41.1 | Very low | 42.8 | Very low | 164 Ų | 164 | 146.9 Ų | 146.9 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | trans | -66.7 | 111.3 | 177.9 | -179.2 | 179.9 | -5 | 0 | 0 | 110.3 | ||||
| 316 | A | 49.4 | Very low | 41.7 | Very low | 91 Ų | 91 | 144.4 Ų | 144.4 | 75% | 0.752 | 74% | 0.743 | S | S | * | * | trans | -73.4 | 127.1 | 171 | 0 | 0 | 0 | 0 | 0 | 110.8 | I314 | I314-A316 PolarHBondContact O-N 2.62Š| ||
| 317 | R | 40.6 | Very low | 40.7 | Very low | 201 Ų | 201 | 147.1 Ų | 147.1 | 76% | 0.758 | 75% | 0.747 | S | S | * | * | trans | -159.9 | 128.6 | 153.4 | -116.5 | 172.2 | -172.4 | -81.4 | -3.6 | 111.1 | ||||
| 318 | D | 44.9 | Very low | 40 | Very low | 146 Ų | 146 | 147.4 Ų | 147.4 | 78% | 0.781 | 75% | 0.746 | S | S | * | * | trans | -64 | 151.2 | 159.2 | -45.1 | -93.7 | 0 | 0 | 0 | 109.9 | ||||
| 319 | E | 38.9 | Very low | 39.4 | Very low | 161 Ų | 161 | 144.8 Ų | 144.8 | 75% | 0.752 | 74% | 0.738 | S | S | * | * | 176.4 | 135.5 | 116.6 | -96 | 169 | -175.3 | 0 | 0 | 113.1 | |||||
| 320 | V | 35.1 | Very low | 38.3 | Very low | 135 Ų | 135 | 144.5 Ų | 144.5 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | trans | 65.8 | 136.7 | 141.5 | 178.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 321 | E | 43.5 | Very low | 37.2 | Very low | 189 Ų | 189 | 142.7 Ų | 142.7 | 88% | 0.883 | 74% | 0.737 | S | S | * | * | trans | -61.8 | 133.1 | 172.2 | -68.4 | 158.9 | 102 | 0 | 0 | 113.1 | ||||
| 322 | G | 29.8 | Very low | 36 | Very low | 75 Ų | 75 | 143.7 Ų | 143.7 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | trans | -145.8 | 118.7 | -177 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 323 | F | 26.1 | Very low | 35 | Very low | 190 Ų | 190 | 148 Ų | 148 | 83% | 0.833 | 76% | 0.756 | S | S | * | * | trans | -57 | 144.4 | -174.4 | -82.5 | -115.3 | 0 | 0 | 0 | 117.1 | ||||
| 324 | L | 32.3 | Very low | 34.1 | Very low | 129 Ų | 129 | 146.4 Ų | 146.4 | 68% | 0.675 | 74% | 0.743 | S | S | * | * | trans | 61.3 | 127.7 | 139.8 | -62.8 | 172.9 | 0 | 0 | 0 | 122.4 | ||||
| 325 | Q | 30.1 | Very low | 33 | Very low | 154 Ų | 154 | 144.6 Ų | 144.6 | 72% | 0.72 | 75% | 0.745 | S | S | * | * | trans | 68.4 | 163.7 | 138.9 | -65.6 | 174.2 | -90.7 | 0 | 0 | 116.8 | ||||
| 326 | D | 26.6 | Very low | 32.5 | Very low | 116 Ų | 116 | 143.7 Ų | 143.7 | 62% | 0.62 | 74% | 0.738 | S | S | * | * | cis | -153.3 | 179.2 | 17.1 | -149.7 | -4.5 | 0 | 0 | 0 | 114.4 | ||||
| 327 | M | 24.2 | Very low | 31.8 | Very low | 157 Ų | 157 | 147.4 Ų | 147.4 | 77% | 0.773 | 74% | 0.737 | S | S | * | * | trans | 62.2 | 100.4 | 151.7 | -78.5 | 179.3 | -76.7 | 0 | 0 | 121.8 | ||||
| 328 | F | 34.4 | Very low | 31.2 | Very low | 197 Ų | 197 | 144.4 Ų | 144.4 | 86% | 0.864 | 73% | 0.732 | S | S | * | * | -49.8 | 161.4 | 126.2 | -94.5 | -78.7 | 0 | 0 | 0 | 111.4 | |||||
| 329 | P | 39.4 | Very low | 30.3 | Very low | 97 Ų | 97 | 147.4 Ų | 147.4 | 63% | 0.63 | 73% | 0.732 | S | S | * | * | -159.4 | -170.3 | 57.1 | 45.5 | -23.5 | 0 | 0 | 0 | 119.2 | |||||
| 330 | Q | 23.9 | Very low | 29.6 | Very low | 159 Ų | 159 | 146 Ų | 146 | 74% | 0.743 | 73% | 0.73 | S | S | * | * | trans | 72.7 | 147.6 | 157 | -75.6 | 177.9 | -78.5 | 0 | 0 | 118.3 | ||||
| 331 | Q | 24.3 | Very low | 29.2 | Very low | 148 Ų | 148 | 143.3 Ų | 143.3 | 69% | 0.692 | 73% | 0.728 | S | S | * | * | cis | -170.5 | -178.4 | -17.5 | -126.8 | 179.7 | -32.4 | 0 | 0 | 108 | ||||
| 332 | L | 25.4 | Very low | 28.4 | Very low | 119 Ų | 119 | 137.6 Ų | 137.6 | 62% | 0.623 | 72% | 0.721 | S | S | * | * | cis | -161.3 | 120.9 | -2.9 | 166.2 | 62.7 | 0 | 0 | 0 | 109.6 | ||||
| 333 | E | 28.8 | Very low | 28.3 | Very low | 171 Ų | 171 | 141.6 Ų | 141.6 | 80% | 0.799 | 72% | 0.724 | S | S | * | * | trans | 47.4 | 174.5 | 154.9 | -77.2 | -165.5 | 149.4 | 0 | 0 | 121 | ||||
| 334 | E | 30.2 | Very low | 28.6 | Very low | 120 Ų | 120 | 137.6 Ų | 137.6 | 56% | 0.561 | 72% | 0.715 | S | S | * | * | cis | -142.2 | 147.8 | -0.1 | -151.2 | -157.6 | 144.5 | 0 | 0 | 111.5 | K336 | E334-K336 IonicContact OE1-NZ 3.99Å; E334-K336 PolarHBondContact OE1-NZ 3.05Å; E334-K336 IonicContact OE2-NZ 2.73Å | ||
| 335 | S | 24.3 | Very low | 28.2 | Very low | 117 Ų | 117 | 139.6 Ų | 139.6 | 82% | 0.818 | 72% | 0.721 | S | S | * | * | trans | -162.4 | 124.9 | 137 | -166.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 336 | K | 30.6 | Very low | 28.2 | Very low | 146 Ų | 146 | 137.1 Ų | 137.1 | 64% | 0.635 | 72% | 0.721 | S | S | * | * | trans | -63.8 | 165.1 | 166.9 | -79.6 | 175.4 | -176.9 | 77 | 0 | 111 | E334 | E334-K336 IonicContact OE1-NZ 3.99Å; E334-K336 PolarHBondContact OE1-NZ 3.05Å; E334-K336 IonicContact OE2-NZ 2.73Å | ||
| 337 | K | 35 | Very low | 29 | Very low | 168 Ų | 168 | 136.9 Ų | 136.9 | 73% | 0.73 | 73% | 0.726 | S | S | * | * | cis | -166.7 | -178.5 | 18.4 | -132.9 | 179.6 | -173.2 | -156.1 | 0 | 106 | ||||
| 338 | Q | 27.5 | Very low | 29 | Very low | 138 Ų | 138 | 134.5 Ų | 134.5 | 65% | 0.645 | 72% | 0.724 | S | S | * | * | cis | -170.6 | 150.6 | -5.2 | -150.9 | -179.6 | -112.9 | 0 | 0 | 103.1 | ||||
| 339 | R | 25.7 | Very low | 28.8 | Very low | 209 Ų | 209 | 131.2 Ų | 131.2 | 79% | 0.789 | 72% | 0.724 | S | S | * | * | cis | -161 | 178.8 | -0.4 | -133.4 | -176.4 | 176.4 | -172.1 | -4.1 | 104.5 | ||||
| 340 | L | 24.3 | Very low | 28.7 | Very low | 133 Ų | 133 | 131.8 Ų | 131.8 | 70% | 0.696 | 73% | 0.728 | S | S | * | * | cis | -155.6 | 107.8 | -3.4 | 179.5 | 63.9 | 0 | 0 | 0 | 103.2 | ||||
| 341 | G | 27.1 | Very low | 28.7 | Very low | 77 Ų | 77 | 129.2 Ų | 129.2 | 79% | 0.794 | 73% | 0.728 | S | S | * | * | 59.7 | 117.4 | 92.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 342 | G | 26.8 | Very low | 28.8 | Very low | 70 Ų | 70 | 130.7 Ų | 130.7 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | cis | -165.7 | 162.2 | -4.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 343 | D | 27.9 | Very low | 28.9 | Very low | 158 Ų | 158 | 132.1 Ų | 132.1 | 85% | 0.845 | 74% | 0.743 | S | S | * | * | cis | 60.2 | 131.7 | 37.1 | -109.1 | 45.5 | 0 | 0 | 0 | 113 | ||||
| 344 | V | 32 | Very low | 28.8 | Very low | 106 Ų | 106 | 130.7 Ų | 130.7 | 64% | 0.642 | 75% | 0.745 | S | S | * | * | cis | -167.2 | 165.1 | 0.7 | 88.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 345 | Q | 24.8 | Very low | 28.6 | Very low | 172 Ų | 172 | 130.9 Ų | 130.9 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | cis | -155.3 | 172.9 | -0.3 | -155.8 | 165.4 | 114.3 | 0 | 0 | 110.5 | ||||
| 346 | S | 30.1 | Very low | 28.9 | Very low | 101 Ų | 101 | 133.1 Ų | 133.1 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | trans | -82.5 | -170.9 | 160.1 | -45.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 347 | P | 41.6 | Very low | 28.7 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | cis | -142.3 | -165 | 0.3 | 42.3 | -20.7 | 0 | 0 | 0 | 117.1 | ||||
| 348 | S | 24.8 | Very low | 28.4 | Very low | 107 Ų | 107 | 129.8 Ų | 129.8 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | trans | 78.6 | 101.7 | 153.5 | 48.1 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 349 | C | 30.1 | Very low | 28.4 | Very low | 128 Ų | 128 | 131.6 Ų | 131.6 | 87% | 0.865 | 77% | 0.772 | S | S | * | * | 31.6 | 164 | 120.9 | -79.2 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 350 | P | 37.4 | Very low | 28.4 | Very low | 108 Ų | 108 | 126.8 Ų | 126.8 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | cis | -136.1 | 177.1 | -2.4 | 38.3 | -20 | 0 | 0 | 0 | 117.3 | ||||
| 351 | S | 25 | Very low | 28.6 | Very low | 106 Ų | 106 | 129.8 Ų | 129.8 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | trans | 60.6 | 148 | 155.3 | 47.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 352 | E | 26.4 | Very low | 28.6 | Very low | 178 Ų | 178 | 134.5 Ų | 134.5 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | cis | -152.1 | 165.6 | 5.8 | -140.3 | 162 | -154.5 | 0 | 0 | 110.9 | ||||
| 353 | D | 26.2 | Very low | 28.5 | Very low | 150 Ų | 150 | 142.7 Ų | 142.7 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | trans | 44.9 | 127 | 167.8 | -80.1 | -9.1 | 0 | 0 | 0 | 123.3 | ||||
| 354 | V | 27.3 | Very low | 28.5 | Very low | 140 Ų | 140 | 141.2 Ų | 141.2 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | 178.4 | 148.5 | 119.2 | 147 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 355 | V | 26.1 | Very low | 28.2 | Very low | 124 Ų | 124 | 142 Ų | 142 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | trans | -70.5 | 143.3 | 178 | 173.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 356 | I | 29.6 | Very low | 28.3 | Very low | 165 Ų | 165 | 138.7 Ų | 138.7 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | -160.2 | 152.8 | 150.1 | -109.5 | 153.8 | 0 | 0 | 0 | 113 | ||||
| 357 | T | 27 | Very low | 28.2 | Very low | 120 Ų | 120 | 142.5 Ų | 142.5 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 146.9 | -177.8 | -41.6 | 0 | 0 | 0 | 0 | 110.6 | ||
| 358 | P | 30 | Very low | 27.3 | Very low | 124 Ų | 124 | 147.5 Ų | 147.5 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 164.7 | -180 | 28.5 | -36.6 | 0 | 0 | 0 | 115 | ||
| 359 | E | 27.5 | Very low | 27.3 | Very low | 175 Ų | 175 | 148.4 Ų | 148.4 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 156.4 | -158.6 | -58.5 | 171.3 | 115 | 0 | 0 | 116.6 | ||
| 360 | S | 25.6 | Very low | 27.4 | Very low | 109 Ų | 109 | 149.8 Ų | 149.8 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | trans | -112.5 | 127.7 | 166.2 | 56.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 361 | F | 27.7 | Very low | 27 | Very low | 195 Ų | 195 | 149.5 Ų | 149.5 | 86% | 0.855 | 81% | 0.813 | S | S | * | * | trans | -91.8 | 104.3 | 171.8 | -91.9 | -88.7 | 0 | 0 | 0 | 111.4 | ||||
| 362 | E | 26.8 | Very low | 27 | Very low | 176 Ų | 176 | 148.2 Ų | 148.2 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | trans | -79.6 | 144.4 | 167.8 | -71.6 | -172.6 | 128.8 | 0 | 0 | 112.1 | ||||
| 363 | R | 25 | Very low | 27.2 | Very low | 242 Ų | 242 | 147.4 Ų | 147.4 | 91% | 0.913 | 82% | 0.818 | S | S | * | * | trans | -149.1 | 97.2 | 146.3 | -175.4 | 164.2 | -67.7 | 172.3 | 1.3 | 109.9 | ||||
| 364 | D | 28.8 | Very low | 27.4 | Very low | 128 Ų | 128 | 146.6 Ų | 146.6 | 68% | 0.684 | 82% | 0.818 | S | S | * | * | trans | -76.3 | 155.2 | 176.8 | -166.9 | 10.9 | 0 | 0 | 0 | 111.8 | ||||
| 365 | S | 24.5 | Very low | 27.5 | Very low | 123 Ų | 123 | 144.9 Ų | 144.9 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | trans | -170 | 88 | 164.7 | -81.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 366 | S | 26.5 | Very low | 27.6 | Very low | 101 Ų | 101 | 143.1 Ų | 143.1 | 71% | 0.706 | 81% | 0.81 | S | S | * | * | trans | -110.3 | 134 | 164.3 | 63.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 367 | L | 27.9 | Very low | 27.4 | Very low | 181 Ų | 181 | 140.5 Ų | 140.5 | 95% | 0.948 | 81% | 0.806 | S | S | * | * | trans | -129.1 | 120.3 | 173.3 | -94.1 | 171.8 | 0 | 0 | 0 | 110.8 | ||||
| 368 | R | 23 | Very low | 27.4 | Very low | 217 Ų | 217 | 142 Ų | 142 | 82% | 0.819 | 81% | 0.809 | S | S | * | * | trans | -97.4 | 137.5 | 176.2 | 177.8 | -168.5 | -73.1 | -162.6 | -2.7 | 109.1 | ||||
| 369 | C | 25.9 | Very low | 27.5 | Very low | 127 Ų | 127 | 140.7 Ų | 140.7 | 86% | 0.858 | 81% | 0.808 | S | S | * | * | trans | -134.2 | 160.9 | 163.4 | -84.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 370 | L | 30.8 | Very low | 27.8 | Very low | 156 Ų | 156 | 137.7 Ų | 137.7 | 82% | 0.817 | 80% | 0.804 | S | S | * | * | trans | -123.8 | 145.2 | -165.3 | -84.8 | 162.5 | 0 | 0 | 0 | 113 | ||||
| 371 | A | 29.2 | Very low | 28 | Very low | 103 Ų | 103 | 139.9 Ų | 139.9 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | 35.7 | 119.9 | 149.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 372 | G | 26.4 | Very low | 27.9 | Very low | 78 Ų | 78 | 137.8 Ų | 137.8 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -166.2 | 137.8 | 161.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 373 | N | 29.3 | Very low | 27.7 | Very low | 162 Ų | 162 | 134.1 Ų | 134.1 | 87% | 0.866 | 80% | 0.797 | S | S | * | * | trans | -106.5 | 163.9 | -173.2 | -75.3 | -13.9 | 0 | 0 | 0 | 113 | ||||
| 374 | V | 31.1 | Very low | 27.7 | Very low | 132 Ų | 132 | 128.1 Ų | 128.1 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | trans | 129.8 | 117.2 | 137.2 | 178.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 375 | S | 29.6 | Very low | 27.4 | Very low | 105 Ų | 105 | 127.7 Ų | 127.7 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | 66.3 | 129.7 | 149.1 | 75.2 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 376 | A | 26.9 | Very low | 27.5 | Very low | 86 Ų | 86 | 133.5 Ų | 133.5 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | trans | 85.7 | 121.9 | 130.9 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 377 | C | 25.8 | Very low | 27.4 | Very low | 111 Ų | 111 | 134 Ų | 134 | 75% | 0.75 | 81% | 0.806 | S | S | * | * | 43.6 | 140.5 | 122.3 | -67.1 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 378 | D | 28.2 | Very low | 27.2 | Very low | 152 Ų | 152 | 133.1 Ų | 133.1 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | cis | -152.2 | 176.1 | 7.3 | -94.5 | -35.1 | 0 | 0 | 0 | 111.1 | ||||
| 379 | A | 30.3 | Very low | 27.3 | Very low | 95 Ų | 95 | 129.6 Ų | 129.6 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -109.9 | 147.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 380 | P | 35.5 | Very low | 27.3 | Very low | 113 Ų | 113 | 127.8 Ų | 127.8 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | -135.6 | 125.2 | 154.3 | 22.8 | -1.8 | 0 | 0 | 0 | 116.2 | ||||
| 381 | I | 29.7 | Very low | 27.2 | Very low | 154 Ų | 154 | 129.5 Ų | 129.5 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | 59.8 | 100.9 | 117.4 | -58.4 | 171.2 | 0 | 0 | 0 | 119.2 | |||||
| 382 | L | 25.6 | Very low | 27.2 | Very low | 152 Ų | 152 | 131.2 Ų | 131.2 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | 56.7 | 131.7 | 119.6 | -101.1 | 162.5 | 0 | 0 | 0 | 123.2 | |||||
| 383 | S | 22.5 | Very low | 27.3 | Very low | 99 Ų | 99 | 133.2 Ų | 133.2 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | trans | 81.8 | 113.8 | 136 | 59.3 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 384 | S | 23.8 | Very low | 27.2 | Very low | 115 Ų | 115 | 128.4 Ų | 128.4 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | 91.1 | 151.6 | 120.5 | -160.6 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 385 | S | 23.7 | Very low | 27.4 | Very low | 119 Ų | 119 | 131.3 Ų | 131.3 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | trans | 107.5 | 164 | 148.6 | 82.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 386 | R | 26 | Very low | 27.4 | Very low | 245 Ų | 245 | 133.9 Ų | 133.9 | 93% | 0.925 | 77% | 0.77 | S | S | * | * | trans | -151.9 | 117 | -139 | 171.7 | -156.7 | -166.3 | -179.5 | 6.9 | 111.2 | ||||
| 387 | S | 23.8 | Very low | 27.5 | Very low | 113 Ų | 113 | 133.5 Ų | 133.5 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | -161.1 | 142.4 | 163.5 | 44.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 388 | L | 24.6 | Very low | 27.6 | Very low | 161 Ų | 161 | 135.5 Ų | 135.5 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | cis | 103.4 | 127.9 | 16.6 | -164 | 81.5 | 0 | 0 | 0 | 113.9 | ||||
| 389 | D | 25.3 | Very low | 27.7 | Very low | 143 Ų | 143 | 136.1 Ų | 136.1 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | trans | 68.7 | 150.6 | 171 | -103.2 | -5.9 | 0 | 0 | 0 | 117.8 | ||||
| 390 | C | 24.9 | Very low | 27.7 | Very low | 89 Ų | 89 | 136.5 Ų | 136.5 | 60% | 0.601 | 77% | 0.766 | S | S | * | * | cis | -150.1 | -170.6 | -0.6 | -140.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 391 | R | 29.7 | Very low | 27.4 | Very low | 193 Ų | 193 | 141.1 Ų | 141.1 | 73% | 0.728 | 77% | 0.77 | S | S | * | * | cis | -166.5 | 178.7 | 1.9 | -135.7 | 156.9 | -165.5 | -102.9 | -4.9 | 105.2 | ||||
| 392 | E | 28.6 | Very low | 27.5 | Very low | 138 Ų | 138 | 140.5 Ų | 140.5 | 65% | 0.645 | 76% | 0.764 | S | S | * | * | cis | -162.5 | 166.8 | -2.7 | -159.5 | 150.4 | -176.4 | 0 | 0 | 110.1 | ||||
| 393 | S | 28.2 | Very low | 27.5 | Very low | 121 Ų | 121 | 139 Ų | 139 | 85% | 0.846 | 76% | 0.757 | S | S | * | * | trans | 67.9 | 131.5 | 154.1 | -153.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 394 | G | 28.5 | Very low | 28 | Very low | 60 Ų | 60 | 140.9 Ų | 140.9 | 62% | 0.619 | 76% | 0.758 | S | S | * | * | cis | 141.5 | 112.9 | -11.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 395 | K | 34.9 | Very low | 28.4 | Very low | 194 Ų | 194 | 143.2 Ų | 143.2 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | trans | -177.1 | 133.1 | 151.3 | -104.9 | 157.1 | -173.3 | 175.2 | 0 | 112.4 | ||||
| 396 | N | 29.8 | Very low | 28.6 | Very low | 159 Ų | 159 | 145.2 Ų | 145.2 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | trans | 32.7 | 126.7 | 149.5 | -42.6 | -6.3 | 0 | 0 | 0 | 118.4 | ||||
| 397 | G | 29.3 | Very low | 28.7 | Very low | 77 Ų | 77 | 138.6 Ų | 138.6 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | cis | 118.6 | 143.6 | 24.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 398 | L | 26.7 | Very low | 28.9 | Very low | 153 Ų | 153 | 141.1 Ų | 141.1 | 80% | 0.801 | 76% | 0.757 | S | S | * | * | cis | -157.8 | -170.8 | 9.8 | -165.6 | 60.7 | 0 | 0 | 0 | 109.5 | ||||
| 399 | H | 31.2 | Very low | 29 | Very low | 166 Ų | 166 | 137.1 Ų | 137.1 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | trans | 78.6 | 119.1 | 179.9 | -63.5 | -86.2 | 0 | 0 | 0 | 115.5 | ||||
| 400 | V | 30.3 | Very low | 29.1 | Very low | 102 Ų | 102 | 136.2 Ų | 136.2 | 62% | 0.618 | 75% | 0.754 | S | S | * | * | cis | 71.1 | 116.4 | 35.2 | -170 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 401 | Y | 29.1 | Very low | 29.3 | Very low | 210 Ų | 210 | 137.9 Ų | 137.9 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | cis | -118.9 | 157.7 | 30.8 | -102.9 | -95.9 | 0 | 0 | 0 | 111.6 | ||||
| 402 | Q | 30.5 | Very low | 29.4 | Very low | 142 Ų | 142 | 135.6 Ų | 135.6 | 66% | 0.664 | 76% | 0.764 | S | S | * | * | cis | 72.3 | 135.5 | 26.4 | -163.9 | 165.3 | 12.3 | 0 | 0 | 113.3 | ||||
| 403 | D | 27.1 | Very low | 29.5 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | cis | -142.6 | -171.5 | -8 | -127 | -35.5 | 0 | 0 | 0 | 105.5 | ||||
| 404 | L | 31.2 | Very low | 29.5 | Very low | 139 Ų | 139 | 135.7 Ų | 135.7 | 73% | 0.728 | 77% | 0.774 | S | S | * | * | cis | -142.1 | 161 | 9.8 | -102.9 | 117.7 | 0 | 0 | 0 | 109.2 | L406 | L404-L406 HydrophobicContact CD2-CD1 4.35Š| ||
| 405 | L | 32.8 | Very low | 30 | Very low | 164 Ų | 164 | 140.3 Ų | 140.3 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | trans | -97.1 | 150.3 | 144.3 | -85.6 | 165.8 | 0 | 0 | 0 | 108.9 | ||||
| 406 | L | 28.2 | Very low | 30.2 | Very low | 161 Ų | 161 | 136.4 Ų | 136.4 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | -157.7 | 158.1 | 147.6 | -112.3 | 174.3 | 0 | 0 | 0 | 111.2 | L404 | L404-L406 HydrophobicContact CD2-CD1 4.35Š| ||
| 407 | S | 27.6 | Very low | 31.1 | Very low | 106 Ų | 106 | 133.9 Ų | 133.9 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | trans | -150 | 164.1 | -173.7 | -170.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 408 | L | 29 | Very low | 31.7 | Very low | 167 Ų | 167 | 136.3 Ų | 136.3 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | trans | 77 | 131 | 164 | -149.6 | 72.3 | 0 | 0 | 0 | 117.8 | ||||
| 409 | G | 26.7 | Very low | 31.7 | Very low | 77 Ų | 77 | 139.3 Ų | 139.3 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | trans | 167.3 | 105.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 410 | T | 27.9 | Very low | 31.6 | Very low | 123 Ų | 123 | 136.6 Ų | 136.6 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | -115.2 | 135.7 | -168.1 | -50.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 411 | T | 29 | Very low | 31.4 | Very low | 124 Ų | 124 | 140.3 Ų | 140.3 | 76% | 0.761 | 79% | 0.794 | S | S | * | * | trans | -176 | 128.4 | 135.4 | 26.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 412 | N | 30.7 | Very low | 31.4 | Very low | 146 Ų | 146 | 138.6 Ų | 138.6 | 78% | 0.781 | 79% | 0.794 | S | S | * | * | trans | 43.6 | 112.3 | 139.7 | -53.2 | -9.3 | 0 | 0 | 0 | 122 | ||||
| 413 | S | 29.9 | Very low | 31.4 | Very low | 119 Ų | 119 | 137.3 Ų | 137.3 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | -175.8 | 132.2 | 109.9 | 33.3 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 414 | T | 28.9 | Very low | 31.3 | Very low | 142 Ų | 142 | 135.4 Ų | 135.4 | 87% | 0.871 | 81% | 0.808 | S | S | * | * | trans | 29.2 | 124.9 | 147.7 | -43.2 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 415 | L | 38.9 | Very low | 31.3 | Very low | 156 Ų | 156 | 136.4 Ų | 136.4 | 82% | 0.817 | 81% | 0.813 | S | S | * | * | trans | -71.4 | 158.9 | 166.3 | -85.2 | 158.1 | 0 | 0 | 0 | 114.2 | ||||
| 416 | P | 39.2 | Very low | 31 | Very low | 112 Ų | 112 | 136.7 Ų | 136.7 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | -140.3 | -153.6 | 109.7 | 43.9 | -29.1 | 0 | 0 | 0 | 112.9 | |||||
| 417 | P | 48.5 | Very low | 31 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 70% | 0.695 | 81% | 0.81 | S | S | * | * | -120 | 177.3 | -114.6 | 28.4 | -4.2 | 0 | 0 | 0 | 115.6 | |||||
| 418 | P | 42.4 | Very low | 31 | Very low | 127 Ų | 127 | 137.6 Ų | 137.6 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | -81.2 | 161.8 | -174.8 | 33.2 | -37.3 | 0 | 0 | 0 | 114.9 | ||||
| 419 | F | 27.6 | Very low | 31.1 | Very low | 217 Ų | 217 | 136.9 Ų | 136.9 | 95% | 0.952 | 81% | 0.812 | S | S | * | * | trans | -89.8 | 143 | -178.6 | -73.9 | -85.9 | 0 | 0 | 0 | 114.2 | ||||
| 420 | S | 27.6 | Very low | 31.9 | Very low | 108 Ų | 108 | 138.3 Ų | 138.3 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | trans | -155.8 | 135.3 | 162.3 | 60.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 421 | L | 27.3 | Very low | 31.9 | Very low | 181 Ų | 181 | 138.9 Ų | 138.9 | 95% | 0.948 | 81% | 0.811 | S | S | * | * | trans | -160.8 | 164.1 | 154.4 | -140.2 | 79.8 | 0 | 0 | 0 | 111.4 | ||||
| 422 | Q | 28.2 | Very low | 32 | Very low | 174 Ų | 174 | 137.3 Ų | 137.3 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | trans | -146 | 155.5 | -171.7 | -177.7 | -173.4 | -18.3 | 0 | 0 | 110.6 | ||||
| 423 | S | 30.2 | Very low | 32 | Very low | 115 Ų | 115 | 140.2 Ų | 140.2 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | 73.4 | 145.1 | 166 | -69.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 424 | G | 26.2 | Very low | 31.7 | Very low | 78 Ų | 78 | 138.4 Ų | 138.4 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | 168.9 | 77 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 425 | I | 30.2 | Very low | 31.9 | Very low | 160 Ų | 160 | 140.1 Ų | 140.1 | 82% | 0.821 | 82% | 0.818 | S | S | * | * | trans | -85.6 | 140.1 | 176.6 | -62.9 | 169.6 | 0 | 0 | 0 | 109.9 | T427 | I425-T427 HydrophobicContact CG2-CG2 4.44Š| ||
| 426 | L | 27.1 | Very low | 32.1 | Very low | 171 Ų | 171 | 138.1 Ų | 138.1 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | trans | -136.1 | 126.5 | 160.8 | -92.8 | 173.4 | 0 | 0 | 0 | 111.7 | ||||
| 427 | T | 27.8 | Very low | 31.9 | Very low | 120 Ų | 120 | 139.5 Ų | 139.5 | 74% | 0.736 | 81% | 0.814 | S | S | * | * | trans | -103 | 141 | 175.3 | 50.2 | 0 | 0 | 0 | 0 | 110.6 | I425 | I425-T427 HydrophobicContact CG2-CG2 4.44Š| ||
| 428 | L | 28.4 | Very low | 31 | Very low | 165 Ų | 165 | 141.6 Ų | 141.6 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | trans | -156 | 132 | 166.5 | -114.4 | 153.5 | 0 | 0 | 0 | 113.2 | ||||
| 429 | N | 29.7 | Very low | 30.3 | Very low | 152 Ų | 152 | 141.3 Ų | 141.3 | 81% | 0.813 | 81% | 0.814 | S | S | * | * | trans | -159 | 136.8 | 169.3 | -122.7 | -25.8 | 0 | 0 | 0 | 105 | ||||
| 430 | P | 44.1 | Very low | 30.3 | Very low | 108 Ų | 108 | 135.9 Ų | 135.9 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | -155 | 150.2 | 92.2 | 38.5 | -19.4 | 0 | 0 | 0 | 118.1 | |||||
| 431 | V | 27.9 | Very low | 30.4 | Very low | 134 Ų | 134 | 139 Ų | 139 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | trans | 33.7 | 120.5 | 133.6 | -173.7 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 432 | A | 30.7 | Very low | 30.5 | Very low | 91 Ų | 91 | 133.9 Ų | 133.9 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | -171.4 | 120.1 | 125.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 433 | Q | 30.3 | Very low | 30.6 | Very low | 208 Ų | 208 | 131.3 Ų | 131.3 | 97% | 0.972 | 80% | 0.802 | S | S | * | * | trans | 46.9 | 134 | 146.6 | -61.6 | -171.8 | -10.6 | 0 | 0 | 124.4 | ||||
| 434 | G | 25.7 | Very low | 30.7 | Very low | 81 Ų | 81 | 133.3 Ų | 133.3 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | trans | 167.1 | 112.1 | 157.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 435 | Q | 31.7 | Very low | 31.3 | Very low | 177 Ų | 177 | 138.6 Ų | 138.6 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | trans | -156.1 | 139.9 | -178 | -161.4 | -178.8 | 14.4 | 0 | 0 | 112 | ||||
| 436 | P | 44 | Very low | 31.8 | Very low | 114 Ų | 114 | 140 Ų | 140 | 74% | 0.74 | 81% | 0.811 | S | S | * | * | -134.8 | 139.2 | 116.5 | 8.9 | 14.1 | 0 | 0 | 0 | 112.6 | |||||
| 437 | I | 33.8 | Very low | 32.5 | Very low | 141 Ų | 141 | 141.3 Ų | 141.3 | 72% | 0.723 | 81% | 0.813 | S | S | * | * | 66 | 121.9 | 84.5 | -62.7 | 169 | 0 | 0 | 0 | 112 | |||||
| 438 | L | 30.5 | Very low | 33.2 | Very low | 152 Ų | 152 | 139.9 Ų | 139.9 | 80% | 0.796 | 81% | 0.813 | S | S | * | * | cis | -128.2 | -135.1 | 6.4 | -124.5 | 161.9 | 0 | 0 | 0 | 110.9 | ||||
| 439 | T | 27.8 | Very low | 33.6 | Very low | 120 Ų | 120 | 143.1 Ų | 143.1 | 74% | 0.736 | 82% | 0.816 | S | S | * | * | cis | -160.2 | 162.8 | 8 | -31.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 440 | S | 28.2 | Very low | 34.1 | Very low | 104 Ų | 104 | 142.6 Ų | 142.6 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | trans | 2.5 | 127 | 155.5 | -170.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 441 | L | 29.3 | Very low | 34 | Very low | 174 Ų | 174 | 142.9 Ų | 142.9 | 91% | 0.911 | 82% | 0.817 | S | S | * | * | cis | 106.6 | 129.5 | 35.1 | 176.7 | 70.7 | 0 | 0 | 0 | 112.8 | ||||
| 442 | G | 28.1 | Very low | 34.6 | Very low | 72 Ų | 72 | 145.9 Ų | 145.9 | 74% | 0.742 | 83% | 0.825 | S | S | * | * | trans | 107.2 | 144.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 443 | S | 30.2 | Very low | 35.3 | Very low | 120 Ų | 120 | 146.4 Ų | 146.4 | 84% | 0.839 | 82% | 0.823 | S | S | * | * | cis | -151.8 | 155.2 | -10.4 | -177.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 444 | N | 33.9 | Very low | 35.8 | Very low | 157 Ų | 157 | 141.4 Ų | 141.4 | 84% | 0.84 | 81% | 0.811 | S | S | * | * | trans | -69.2 | 149.6 | 165.1 | -67.9 | -25.1 | 0 | 0 | 0 | 110.4 | ||||
| 445 | Q | 37.4 | Very low | 36.6 | Very low | 190 Ų | 190 | 147.1 Ų | 147.1 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | trans | -152.2 | 136.8 | 150.9 | -142.7 | 163.4 | -4.8 | 0 | 0 | 110.2 | ||||
| 446 | E | 41 | Very low | 37.1 | Very low | 190 Ų | 190 | 149.7 Ų | 149.7 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | trans | -88.3 | 139.6 | 175.3 | -63.5 | 154.7 | 108.5 | 0 | 0 | 109.3 | ||||
| 447 | E | 42.5 | Very low | 37 | Very low | 198 Ų | 198 | 153.5 Ų | 153.5 | 93% | 0.925 | 83% | 0.825 | S | S | * | * | trans | -108.7 | 130.1 | 165.7 | -68.3 | -163.1 | 153.6 | 0 | 0 | 110 | ||||
| 448 | A | 41.7 | Very low | 37.1 | Very low | 90 Ų | 90 | 154.1 Ų | 154.1 | 74% | 0.744 | 83% | 0.83 | S | S | * | * | trans | -95.4 | 156.7 | -166.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | V450 | A448-V450 PolarHBondContact O-N 2.68Š| ||
| 449 | Y | 36.4 | Very low | 37.5 | Very low | 233 Ų | 233 | 159.6 Ų | 159.6 | 91% | 0.914 | 85% | 0.851 | S | S | * | * | trans | -61.2 | 129.2 | 173.9 | -76.4 | -106.9 | 0 | 0 | 0 | 111.5 | ||||
| 450 | V | 40.5 | Very low | 37.9 | Very low | 141 Ų | 141 | 161.6 Ų | 161.6 | 86% | 0.855 | 86% | 0.857 | S | S | * | * | trans | -104.6 | 110.4 | 170 | 178.5 | 0 | 0 | 0 | 0 | 109.3 | A448 | A448-V450 PolarHBondContact O-N 2.68Š| ||
| 451 | T | 43.5 | Very low | 38.5 | Very low | 114 Ų | 114 | 164.6 Ų | 164.6 | 70% | 0.699 | 86% | 0.864 | S | S | * | * | trans | -88.2 | 130.3 | -179.8 | -29.8 | 0 | 0 | 0 | 0 | 111.2 | S453 | T451-S453 PolarHBondContact O-N 3.43Š| ||
| 452 | M | 40 | Very low | 39 | Very low | 196 Ų | 196 | 164.1 Ų | 164.1 | 97% | 0.966 | 86% | 0.861 | S | S | * | * | trans | -73.5 | 92 | 174.4 | -81.2 | 173.2 | 49.3 | 0 | 0 | 111.7 | ||||
| 453 | S | 45.3 | Very low | 39.6 | Very low | 102 Ų | 102 | 169.5 Ų | 169.5 | 71% | 0.713 | 87% | 0.868 | S | S | * | * | trans | -154 | 52.9 | 177.8 | 65.4 | 0 | 0 | 0 | 0 | 115 | T451 | T451-S453 PolarHBondContact O-N 3.43Š| ||
| 454 | S | 39.9 | Very low | 40.2 | Very low | 104 Ų | 104 | 172.6 Ų | 172.6 | 73% | 0.727 | 87% | 0.87 | S | S | * | * | trans | -155.7 | 37.7 | -178.5 | 55.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 455 | F | 43.7 | Very low | 40.6 | Very low | 201 Ų | 201 | 173.6 Ų | 173.6 | 88% | 0.882 | 87% | 0.872 | S | S | * | * | trans | -129.9 | 63.1 | 173.4 | -87.6 | -73.4 | 0 | 0 | 0 | 114.1 | ||||
| 456 | Y | 41.6 | Very low | 40.8 | Very low | 231 Ų | 231 | 172.4 Ų | 172.4 | 91% | 0.906 | 87% | 0.871 | S | S | * | * | trans | -159 | 91.7 | 158.1 | -98.8 | -67.6 | 0 | 0 | 0 | 111.5 | ||||
| 457 | Q | 40.8 | Very low | 40.8 | Very low | 193 Ų | 193 | 171.1 Ų | 171.1 | 90% | 0.902 | 87% | 0.87 | S | S | * | * | trans | -156.1 | 143.6 | 145.3 | -136.5 | 160.7 | -3.6 | 0 | 0 | 112.4 | ||||
| 458 | N | 37.3 | Very low | 40.7 | Very low | 155 Ų | 155 | 168.8 Ų | 168.8 | 83% | 0.829 | 87% | 0.865 | S | S | * | * | trans | -74.2 | 149.9 | -175.6 | -33.9 | -87.2 | 0 | 0 | 0 | 111.9 | ||||
| 459 | Q | 37.6 | Very low | 40.6 | Very low | 266 Ų | 266 | 176 Ų | 176 | 100% | 1.243 | 88% | 0.876 | S | S | * | * | -153.8 | 0 | 100.6 | -163.3 | 150.6 | 53.7 | 0 | 0 | 111.6 |
Retrieved 459 of 459 residues in 505.7 ms
(Link to these results)