| 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 | 54.4 | Low | 47.6 | Very low | 234 Ų | 234 | 146 Ų | 146 | 100% | 1.153 | 79% | 0.79 | S | S | * | * | 0 | 26.3 | 0 | -66.3 | -68.1 | -87.3 | 0 | 0 | 113.4 | |||||
| 2 | A | 49.9 | Very low | 47.3 | Very low | 84 Ų | 84 | 147.8 Ų | 147.8 | 69% | 0.694 | 80% | 0.798 | S | S | * | * | trans | -127.2 | 8.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 3 | L | 46.6 | Very low | 46.4 | Very low | 156 Ų | 156 | 155.2 Ų | 155.2 | 82% | 0.817 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -115.1 | 7.8 | -176 | -98.4 | 155 | 0 | 0 | 0 | 113.8 | ||
| 4 | V | 51.7 | Low | 45.8 | Very low | 120 Ų | 120 | 151.9 Ų | 151.9 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -105.4 | -8.6 | -179.3 | -178.6 | 0 | 0 | 0 | 0 | 112.3 | ||
| 5 | L | 48.4 | Very low | 45.6 | Very low | 142 Ų | 142 | 152.5 Ų | 152.5 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -98.8 | -3.8 | -177.5 | -100.8 | 133.6 | 0 | 0 | 0 | 115.3 | ||
| 6 | I | 49.3 | Very low | 44.9 | Very low | 125 Ų | 125 | 150.6 Ų | 150.6 | 64% | 0.641 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -94 | -15.9 | -179.3 | -61.7 | 172.2 | 0 | 0 | 0 | 112 | ||
| 7 | L | 43.2 | Very low | 44.2 | Very low | 151 Ų | 151 | 151.5 Ų | 151.5 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | 2.4 | -177.8 | -116.1 | 92.3 | 0 | 0 | 0 | 115.4 | ||
| 8 | Q | 46.1 | Very low | 43.4 | Very low | 160 Ų | 160 | 149.6 Ų | 149.6 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | 8.5 | -177.9 | -69.8 | -159.5 | -39.3 | 0 | 0 | 115.3 | ||
| 9 | L | 43.9 | Very low | 42.7 | Very low | 156 Ų | 156 | 149.4 Ų | 149.4 | 82% | 0.817 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -106.8 | 8.1 | 179.5 | -90.9 | 150.8 | 0 | 0 | 0 | 114.9 | ||
| 10 | L | 44 | Very low | 42.9 | Very low | 161 Ų | 161 | 150.3 Ų | 150.3 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -111.8 | 11.7 | -179.8 | -74.8 | 169.2 | 0 | 0 | 0 | 114.8 | ||
| 11 | T | 46.5 | Very low | 42.5 | Very low | 117 Ų | 117 | 149.3 Ų | 149.3 | 72% | 0.718 | 80% | 0.799 | S | S | * | * | trans | -110 | 17.2 | -174.6 | 52.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 12 | L | 43.6 | Very low | 42.5 | Very low | 168 Ų | 168 | 143.4 Ų | 143.4 | 88% | 0.88 | 78% | 0.778 | S | S | * | * | trans | -123 | 62.6 | 172 | -87.4 | 142.4 | 0 | 0 | 0 | 111.1 | ||||
| 13 | W | 35.3 | Very low | 42.1 | Very low | 243 Ų | 243 | 144.7 Ų | 144.7 | 92% | 0.92 | 78% | 0.782 | S | S | * | * | trans | -117 | 109 | 154.9 | -131.5 | -24.8 | 0 | 0 | 0 | 107.6 | L15 | W13-L15 PolarHBondContact O-N 3.11Å; W13-L15 VanDerWaalsContact O-N 3.15Å | ||
| 14 | P | 38.7 | Very low | 41.8 | Very low | 110 Ų | 110 | 143.3 Ų | 143.3 | 71% | 0.714 | 78% | 0.78 | S | S | * | * | trans | -74.7 | 106 | 166.5 | 5 | 10.7 | 0 | 0 | 0 | 107.5 | C16 | P14-C16 PolarHBondContact O-N 3.36Š| ||
| 15 | L | 42.5 | Very low | 41.4 | Very low | 160 Ų | 160 | 142.2 Ų | 142.2 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | trans | -53.4 | 110.2 | 150.4 | -82.5 | 150.8 | 0 | 0 | 0 | 107.9 | W13 | W13-L15 PolarHBondContact O-N 3.11Å; W13-L15 VanDerWaalsContact O-N 3.15Å | ||
| 16 | C | 34.8 | Very low | 41.3 | Very low | 122 Ų | 122 | 142.3 Ų | 142.3 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | trans | -113.6 | 98 | 157.7 | -147.6 | 0 | 0 | 0 | 0 | 107 | P14 | P14-C16 PolarHBondContact O-N 3.36Š| ||
| 17 | H | 33 | Very low | 40.9 | Very low | 167 Ų | 167 | 144 Ų | 144 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | -92.3 | 133.2 | 163.6 | -107.6 | -37.9 | 0 | 0 | 0 | 108.3 | ||||
| 18 | T | 30.3 | Very low | 40.8 | Very low | 117 Ų | 117 | 142.9 Ų | 142.9 | 72% | 0.718 | 79% | 0.791 | S | S | * | * | trans | 159.5 | 137.3 | 152.1 | 41.4 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 19 | D | 30.2 | Very low | 41.1 | Very low | 145 Ų | 145 | 140.7 Ų | 140.7 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | cis | -156.9 | 136.8 | -6.6 | -100.8 | -42.7 | 0 | 0 | 0 | 104.1 | ||||
| 20 | I | 45.7 | Very low | 41.9 | Very low | 168 Ų | 168 | 139.2 Ų | 139.2 | 86% | 0.862 | 79% | 0.791 | S | S | * | * | trans | -91.2 | 110.3 | 172.8 | -64.9 | 169.1 | 0 | 0 | 0 | 107.2 | ||||
| 21 | T | 34.8 | Very low | 41.8 | Very low | 129 Ų | 129 | 135.9 Ų | 135.9 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -115.8 | 130.1 | 154.6 | 49 | 0 | 0 | 0 | 0 | 109 | ||||
| 22 | P | 53.9 | Low | 42.3 | Very low | 110 Ų | 110 | 133.1 Ų | 133.1 | 71% | 0.714 | 77% | 0.772 | S | S | * | * | trans | -83.8 | 171.2 | -175.8 | 35.1 | -33 | 0 | 0 | 0 | 111.3 | ||||
| 23 | S | 42.3 | Very low | 43.7 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | 92.1 | 81.4 | 167.6 | 71.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 24 | V | 39.3 | Very low | 46 | Very low | 128 Ų | 128 | 125.9 Ų | 125.9 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | -146 | 109.3 | 108.6 | -177.8 | 0 | 0 | 0 | 0 | 107.2 | I26 | V24-I26 VanDerWaalsContact C-N 3.35Å; V24-I26 HydrophobicContact CG1-CG1 3.78Å; V24-I26 PolarHBondContact O-N 3.01Å | |||
| 25 | A | 43.8 | Very low | 48.5 | Very low | 96 Ų | 96 | 123.1 Ų | 123.1 | 79% | 0.793 | 72% | 0.718 | S | S | * | * | trans | -71.5 | 94.3 | 165 | 0 | 0 | 0 | 0 | 0 | 107.8 | I27 | A25-I27 PolarHBondContact O-N 3.06Š| ||
| 26 | I | 46.1 | Very low | 50.9 | Low | 145 Ų | 145 | 120.1 Ų | 120.1 | 74% | 0.744 | 70% | 0.698 | S | S | * | * | trans | -76.6 | 114.1 | 165.3 | -59.4 | 179.4 | 0 | 0 | 0 | 106.7 | V24 | V24-I26 VanDerWaalsContact C-N 3.35Å; V24-I26 HydrophobicContact CG1-CG1 3.78Å; V24-I26 PolarHBondContact O-N 3.01Å | ||
| 27 | I | 40.8 | Very low | 53.9 | Low | 161 Ų | 161 | 114.5 Ų | 114.5 | 83% | 0.826 | 66% | 0.66 | S | S | * | * | trans | -61.7 | 128.7 | 176.1 | -62.4 | 159.1 | 0 | 0 | 0 | 109.2 | A25 | A25-I27 PolarHBondContact O-N 3.06Š| ||
| 28 | V | 41.9 | Very low | 56.9 | Low | 126 Ų | 126 | 113.3 Ų | 113.3 | 76% | 0.764 | 65% | 0.649 | S | S | * | * | trans | -77.9 | 155.7 | 178.8 | 175.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 29 | P | 52.9 | Low | 60.1 | Low | 115 Ų | 115 | 108.5 Ų | 108.5 | 75% | 0.747 | 62% | 0.619 | S | S | * | * | cis | -147 | -155.7 | 26.6 | 49.6 | -27.3 | 0 | 0 | 0 | 116.1 | ||||
| 30 | P | 58.8 | Low | 63.4 | Low | 125 Ų | 125 | 102 Ų | 102 | 81% | 0.812 | 59% | 0.586 | S | S | * | * | -108.9 | 158.7 | -118.4 | 32.5 | -10.1 | 0 | 0 | 0 | 114.4 | |||||
| 31 | A | 43 | Very low | 65.8 | Low | 91 Ų | 91 | 94.9 Ų | 94.9 | 75% | 0.752 | 55% | 0.552 | S | S | * | * | trans | -144.5 | 113.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 32 | S | 56.4 | Low | 68.7 | Low | 58 Ų | 58 | 93.4 Ų | 93.4 | 41% | 0.406 | 54% | 0.536 | S | S | . | . | trans | -25.3 | 134.4 | 152.2 | 35.3 | 0 | 0 | 0 | 0 | 113.7 | H34 Q118 | S32-H34 PolarHBondContact O-N 3.46Å; S32-Q118 PolarHBondContact OG-NE2 3.21Å; S32-Q118 PolarHBondContact OG-OE1 3.23Å; S32-Q118 VanDerWaalsContact OG-OE1 3.07Å | ||
| 33 | Y | 72.5 | Confident | 70.7 | Confident | 220 Ų | 220 | 93 Ų | 93 | 86% | 0.863 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -54.9 | -12.4 | -171.6 | -141.3 | -108.7 | 0 | 0 | 0 | 115.6 | ||
| 34 | H | 84.5 | Confident | 73.1 | Confident | 39 Ų | 39 | 89.6 Ų | 89.6 | 18% | 0.181 | 51% | 0.512 | C | S | . | . | S | Bend | trans | -142.7 | 102.8 | -179.3 | -52.3 | -58.2 | 0 | 0 | 0 | 111.3 | S32 W111 Q118 | S32-H34 PolarHBondContact O-N 3.46Å; H34-W111 HydrophobicContact CB-CH2 3.77Å; H34-W111 HydrophobicContact CB-CZ2 4.2Å; H34-W111 HydrophobicContact CB-CZ3 4.35Å; H34-W111 AromaticContact CE1-CD2 3.92Å; H34-W111 AromaticContact CE1-CE2 3.54Å; H34-W111 AromaticContact CE1-CZ2 3.79Å; H34-W111 AromaticContact CE1-NE1 3.75Å; H34-W111 AromaticContact CG-CH2 3.7Å; H34-W111 AromaticContact CG-CZ2 3.8Å; H34-W111 AromaticContact ND1-CE2 3.38Å; H34-W111 AromaticContact ND1-CH2 3.53Å; H34-W111 AromaticContact ND1-CZ2 3.11Å; H34-W111 WeakPolarHBondContact ND1-CZ2 3.33Å; H34-W111 AromaticContact ND1-NE1 3.9Å; H34-Q118 WeakPolarHBondContact O-CG 3.47Å; H34-Q118 PolarHBondContact O-N 2.88Å |
| 35 | P | 90.3 | Very high | 75.7 | Confident | 52 Ų | 52 | 86.6 Ų | 86.6 | 34% | 0.338 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 151.3 | -173.9 | 26.5 | -34.5 | 0 | 0 | 0 | 112.5 | P60 Y106 | P35-P60 HydrophobicContact CB-CG 4.08Å; P35-P60 HydrophobicContact CG-CB 4.28Å; P35-P60 HydrophobicContact CG-CG 3.99Å; P35-Y106 WeakPolarHBondContact O-CE1 3.49Å; P35-Y106 PolarHBondContact O-OH 3.02Å |
| 36 | K | 94.3 | Very high | 78.1 | Confident | 97 Ų | 97 | 86 Ų | 86 | 42% | 0.422 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 142.5 | -179.1 | 69.6 | 174.6 | -177.7 | 173 | 0 | 112 | P60 Q118 P119 D121 | K36-P60 WeakPolarHBondContact O-CG 3.42Å; K36-Q118 HydrophobicContact CB-CB 4.02Å; K36-P119 WeakPolarHBondContact CB-O 3.4Å; K36-D121 IonicContact NZ-OD1 3.06Å; K36-D121 PolarHBondContact NZ-OD1 3.04Å; K36-D121 IonicContact NZ-OD2 2.83Å; K36-D121 PolarHBondContact NZ-OD2 3.49Å |
| 37 | P | 96.2 | Very high | 80.3 | Confident | 5 Ų | 5 | 79.7 Ų | 79.7 | 3% | 0.032 | 45% | 0.449 | C | S | . | . | P | Polyproline II helix | trans | -80.2 | 168 | 169.2 | 33 | -32.2 | 0 | 0 | 0 | 112 | R58 C104 Y106 Q118 S120 | P37-R58 CarbonylContact C-O 3.59Å; P37-R58 WeakPolarHBondContact CA-O 3.45Å; P37-R58 WeakPolarHBondContact CB-O 3.48Å; P37-C104 HydrophobicContact CG-CB 4.46Å; P37-C104 VanDerWaalsContact CG-O 3.23Å; P37-C104 WeakPolarHBondContact CG-O 3.48Å; P37-Y106 HydrophobicContact CB-CD1 3.92Å; P37-Y106 HydrophobicContact CB-CE1 4.23Å; P37-Y106 HydrophobicContact CG-CD1 3.96Å; P37-Y106 HydrophobicContact CG-CE1 4.37Å; P37-Q118 WeakPolarHBondContact CD-O 3.25Å; P37-S120 WeakPolarHBondContact O-CA 3.32Å; P37-S120 WeakPolarHBondContact O-CB 3.46Å |
| 38 | W | 97.4 | Very high | 82.6 | Confident | 141 Ų | 141 | 75 Ų | 75 | 53% | 0.534 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 144.7 | 168.7 | 174.9 | 86 | 0 | 0 | 0 | 110.6 | R56 C57 R58 | W38-R56 HydrophobicContact CZ3-CB 4.18Å; W38-R56 WeakPolarHBondContact CZ3-O 3.44Å; W38-C57 CarbonylContact O-C 3.4Å; W38-C57 VanDerWaalsContact O-CA 3.32Å; W38-C57 WeakPolarHBondContact O-CA 3.27Å; W38-R58 HydrophobicContact CE3-CB 4.04Å; W38-R58 PolarHBondContact N-O 3.35Å; W38-R58 PolarHBondContact O-N 2.91Å |
| 39 | L | 98 | Very high | 84.9 | Confident | 17 Ų | 17 | 69 Ų | 69 | 9% | 0.089 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 130.7 | 175.4 | 180 | 62.7 | 0 | 0 | 0 | 109.6 | L55 R56 C57 L68 C104 L123 | L39-L55 HydrophobicContact CD1-CB 4.28Å; L39-R56 WeakPolarHBondContact CA-O 3.3Å; L39-C57 HydrophobicContact CD1-CB 4.15Å; L39-L68 HydrophobicContact CD1-CD1 4.17Å; L39-L68 HydrophobicContact CD2-CD1 4.1Å; L39-C104 HydrophobicContact CB-CB 4.25Å; L39-C104 HydrophobicContact CD1-CB 4.12Å; L39-C104 HydrophobicContact CD2-CB 4.21Å; L39-C104 HydrophobicContact CG-CB 4.43Å; L39-L123 HydrophobicContact CD2-CB 3.71Å; L39-L123 HydrophobicContact CG-CB 3.99Å; L39-L123 HydrophobicContact CG-CD1 4.09Å |
| 40 | G | 97.4 | Very high | 86.5 | Confident | 8 Ų | 8 | 64.2 Ų | 64.2 | 8% | 0.082 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 165.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | L55 R56 L123 | G40-L55 CarbonylContact O-C 3.53Å; G40-L55 WeakPolarHBondContact O-CA 3.29Å; G40-R56 PolarHBondContact N-O 2.89Å; G40-R56 PolarHBondContact O-N 3.03Å; G40-L123 VanDerWaalsContact CA-CD1 3.42Å |
| 41 | A | 97.5 | Very high | 88 | Confident | 18 Ų | 18 | 59.9 Ų | 59.9 | 15% | 0.149 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 141.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | A44 T45 V53 L55 L123 | A41-A44 WeakPolarHBondContact CB-O 3.48Å; A41-T45 HydrophobicContact CB-CG2 4.01Å; A41-V53 HydrophobicContact CB-CG1 4.3Å; A41-L55 HydrophobicContact CB-CD2 3.62Å; A41-L123 HydrophobicContact CB-CD1 3.89Å; A41-L123 HydrophobicContact CB-CD2 4.25Å |
| 42 | Q | 96.4 | Very high | 90.4 | Very high | 98 Ų | 98 | 60.2 Ų | 60.2 | 46% | 0.458 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 136.7 | 168.9 | -68 | -169.4 | -36.2 | 0 | 0 | 109.1 | V53 T54 R56 | Q42-V53 WeakPolarHBondContact O-CA 3.42Å; Q42-T54 PolarHBondContact N-O 3.38Å; Q42-T54 PolarHBondContact O-N 3.29Å; Q42-R56 VanDerWaalsContact OE1-CD 3.24Å |
| 43 | P | 94.1 | Very high | 92.3 | Very high | 101 Ų | 101 | 57.5 Ų | 57.5 | 66% | 0.656 | 30% | 0.304 | S | S | * | . | S | Bend | cis | -76.5 | -25.5 | 4.4 | 30.7 | -35.4 | 0 | 0 | 0 | 114.3 | V51 | P43-V51 HydrophobicContact CG-CG1 4.33Š|
| 44 | A | 93.9 | Very high | 93.5 | Very high | 40 Ų | 40 | 48.3 Ų | 48.3 | 33% | 0.331 | 27% | 0.271 | S | S | . | . | trans | -155.5 | 169.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A41 V47 | A41-A44 WeakPolarHBondContact CB-O 3.48Å; A44-V47 HydrophobicContact CB-CG1 4.49Å | ||
| 45 | T | 93.8 | Very high | 94.1 | Very high | 65 Ų | 65 | 46.5 Ų | 46.5 | 40% | 0.399 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -84.7 | -14.6 | 171.7 | 50 | 0 | 0 | 0 | 0 | 113.3 | A41 L123 L125 L126 | A41-T45 HydrophobicContact CB-CG2 4.01Å; T45-L123 HydrophobicContact CG2-CD1 4.2Å; T45-L123 HydrophobicContact CG2-CG 4.21Å; T45-L125 CarbonylContact O-C 3.55Å; T45-L125 WeakPolarHBondContact O-CA 3.29Å; T45-L126 PolarHBondContact O-N 3.43Å |
| 46 | V | 94.2 | Very high | 94.4 | Very high | 85 Ų | 85 | 47 Ų | 47 | 52% | 0.515 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 118.5 | 174 | -172.9 | 0 | 0 | 0 | 0 | 108 | L126 | V46-L126 WeakPolarHBondContact CA-O 3.4Å; V46-L126 HydrophobicContact CG1-CB 4.32Å; V46-L126 HydrophobicContact CG2-CB 4.24Å |
| 47 | V | 92.3 | Very high | 94.6 | Very high | 11 Ų | 11 | 42.4 Ų | 42.4 | 7% | 0.067 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 159.7 | -173.8 | -64.3 | 0 | 0 | 0 | 0 | 111.8 | A44 V53 V94 L125 L126 V127 T128 | A44-V47 HydrophobicContact CB-CG1 4.49Å; V47-V53 HydrophobicContact CB-CG2 4.38Å; V47-V53 HydrophobicContact CG1-CG2 3.97Å; V47-V53 HydrophobicContact CG2-CG2 3.87Å; V47-V94 HydrophobicContact CG2-CG2 3.81Å; V47-L125 HydrophobicContact CG2-CD1 4.21Å; V47-L126 PolarHBondContact N-O 3.42Å; V47-V127 HydrophobicContact CG2-CG2 4.08Å; V47-V127 WeakPolarHBondContact O-CA 3.48Å; V47-T128 PolarHBondContact O-N 2.88Å |
| 48 | T | 89.8 | Confident | 94.6 | Very high | 64 Ų | 64 | 48.5 Ų | 48.5 | 39% | 0.393 | 26% | 0.26 | S | S | . | . | trans | -89.7 | 154.7 | 171.7 | 53.1 | 0 | 0 | 0 | 0 | 111.3 | V51 | T48-V51 WeakPolarHBondContact O-CB 3.49Å; T48-V51 WeakPolarHBondContact O-CG2 3.5Å; T48-V51 PolarHBondContact O-N 3.49Å; T48-V51 WeakPolarHBondContact OG1-CG2 3.45Å | ||
| 49 | P | 89.5 | Confident | 94.4 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 139.2 | 176 | -28.6 | 35.4 | 0 | 0 | 0 | 113.3 | V51 V94 P96 V127 T128 E130 L131 P132 L158 | P49-V51 VanDerWaalsContact C-N 3.34Å; P49-V94 CarbonylContact C-O 3.53Å; P49-V94 WeakPolarHBondContact CA-O 3.41Å; P49-P96 HydrophobicContact CG-CG 4.07Å; P49-V127 HydrophobicContact CB-CG1 4.49Å; P49-V127 HydrophobicContact CG-CG1 3.87Å; P49-T128 VanDerWaalsContact CD-O 3.23Å; P49-T128 WeakPolarHBondContact CD-O 3.27Å; P49-T128 WeakPolarHBondContact CD-OG1 3.37Å; P49-T128 WeakPolarHBondContact CG-O 3.41Å; P49-E130 WeakPolarHBondContact CD-O 3.42Å; P49-L131 HydrophobicContact CB-CD2 4.07Å; P49-L131 HydrophobicContact CG-CD2 4.16Å; P49-P132 VanDerWaalsContact O-CG 3.28Å; P49-P132 WeakPolarHBondContact O-CG 3.35Å; P49-L158 HydrophobicContact CB-CD1 3.83Å |
| 50 | G | 86.5 | Confident | 94.2 | Very high | 13 Ų | 13 | 44.1 Ų | 44.1 | 13% | 0.134 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.5 | 0 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | V94 | G50-V94 PolarHBondContact N-O 2.89Š|
| 51 | V | 89.9 | Confident | 93.8 | Very high | 35 Ų | 35 | 47.6 Ų | 47.6 | 21% | 0.212 | 27% | 0.265 | C | S | . | . | trans | -79.6 | 140.4 | 169.1 | 176.9 | 0 | 0 | 0 | 0 | 109.4 | P43 T48 P49 V94 | P43-V51 HydrophobicContact CG-CG1 4.33Å; T48-V51 WeakPolarHBondContact O-CB 3.49Å; T48-V51 WeakPolarHBondContact O-CG2 3.5Å; T48-V51 PolarHBondContact O-N 3.49Å; T48-V51 WeakPolarHBondContact OG1-CG2 3.45Å; P49-V51 VanDerWaalsContact C-N 3.34Å; V51-V94 VanDerWaalsContact O-CG2 3.3Å; V51-V94 WeakPolarHBondContact O-CG2 3.34Å; V51-V94 PolarHBondContact O-N 3.01Å; V51-V94 VanDerWaalsContact O-N 3.14Å | ||
| 52 | N | 93.8 | Very high | 93.4 | Very high | 98 Ų | 98 | 49.8 Ų | 49.8 | 52% | 0.524 | 28% | 0.278 | S | S | . | . | trans | -81.7 | 128.1 | 172.5 | -66 | -9.8 | 0 | 0 | 0 | 109.5 | L91 E93 | N52-L91 WeakPolarHBondContact CA-O 3.43Å; N52-E93 PolarHBondContact OD1-N 3.4Å | ||
| 53 | V | 95.8 | Very high | 93 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 132.3 | 179.6 | 178.8 | 0 | 0 | 0 | 0 | 109.5 | A41 Q42 V47 L55 L91 V94 L125 | A41-V53 HydrophobicContact CB-CG1 4.3Å; Q42-V53 WeakPolarHBondContact O-CA 3.42Å; V47-V53 HydrophobicContact CB-CG2 4.38Å; V47-V53 HydrophobicContact CG1-CG2 3.97Å; V47-V53 HydrophobicContact CG2-CG2 3.87Å; V53-L55 HydrophobicContact CG1-CD2 4.03Å; V53-L55 HydrophobicContact CG1-CG 4.5Å; V53-L91 HydrophobicContact CB-CB 4.39Å; V53-L91 PolarHBondContact N-O 2.95Å; V53-L91 PolarHBondContact O-N 3.29Å; V53-V94 HydrophobicContact CB-CG1 4.08Å; V53-V94 HydrophobicContact CG2-CG1 3.87Å; V53-V94 HydrophobicContact CG2-CG2 4.25Å; V53-L125 HydrophobicContact CG1-CD1 4.12Å; V53-L125 HydrophobicContact CG2-CD1 4.46Å |
| 54 | T | 97.4 | Very high | 92.7 | Very high | 27 Ų | 27 | 47.2 Ų | 47.2 | 17% | 0.166 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 115.8 | 172.8 | -52.4 | 0 | 0 | 0 | 0 | 109.2 | Q42 R56 E88 F89 F90 | Q42-T54 PolarHBondContact N-O 3.38Å; Q42-T54 PolarHBondContact O-N 3.29Å; T54-R56 HydrophobicContact CG2-CG 4.12Å; T54-E88 HydrophobicContact CG2-CB 3.9Å; T54-E88 HydrophobicContact CG2-CG 4.32Å; T54-F89 WeakPolarHBondContact CA-O 3.36Å; T54-F90 HydrophobicContact CG2-CD1 3.82Å; T54-F90 HydrophobicContact CG2-CE1 3.54Å; T54-F90 HydrophobicContact CG2-CZ 4.17Å; T54-F90 VanDerWaalsContact OG1-CD1 3.31Å; T54-F90 WeakPolarHBondContact OG1-CD1 3.42Å; T54-F90 WeakPolarHBondContact OG1-CE1 3.38Å |
| 55 | L | 97.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 119.4 | 172.1 | -59.7 | -179.4 | 0 | 0 | 0 | 108.9 | L39 G40 A41 V53 L68 E88 F89 L91 Y102 L123 | L39-L55 HydrophobicContact CD1-CB 4.28Å; G40-L55 CarbonylContact O-C 3.53Å; G40-L55 WeakPolarHBondContact O-CA 3.29Å; A41-L55 HydrophobicContact CB-CD2 3.62Å; V53-L55 HydrophobicContact CG1-CD2 4.03Å; V53-L55 HydrophobicContact CG1-CG 4.5Å; L55-L68 HydrophobicContact CD1-CD1 4.11Å; L55-L68 HydrophobicContact CD1-CD2 3.62Å; L55-L68 HydrophobicContact CD1-CG 4.49Å; L55-E88 WeakPolarHBondContact O-CA 3.44Å; L55-F89 HydrophobicContact CB-CB 4.26Å; L55-F89 PolarHBondContact N-O 3.3Å; L55-F89 PolarHBondContact O-N 2.99Å; L55-L91 HydrophobicContact CD1-CD1 3.85Å; L55-L91 HydrophobicContact CD1-CG 4.49Å; L55-L91 HydrophobicContact CG-CD1 4.18Å; L55-Y102 HydrophobicContact CD1-CD1 4.19Å; L55-Y102 HydrophobicContact CD1-CD2 4.42Å; L55-Y102 HydrophobicContact CD1-CG 4.12Å; L55-L123 HydrophobicContact CD2-CD1 4.47Å; L55-L123 HydrophobicContact CD2-CD2 3.8Å |
| 56 | R | 97.4 | Very high | 92.8 | Very high | 64 Ų | 64 | 45.5 Ų | 45.5 | 24% | 0.242 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 114.2 | -175 | -59.6 | -173.1 | 84 | 170.6 | 4.4 | 108.9 | W38 L39 G40 Q42 T54 L86 E88 | W38-R56 HydrophobicContact CZ3-CB 4.18Å; W38-R56 WeakPolarHBondContact CZ3-O 3.44Å; L39-R56 WeakPolarHBondContact CA-O 3.3Å; G40-R56 PolarHBondContact N-O 2.89Å; G40-R56 PolarHBondContact O-N 3.03Å; Q42-R56 VanDerWaalsContact OE1-CD 3.24Å; T54-R56 HydrophobicContact CG2-CG 4.12Å; R56-L86 HydrophobicContact CB-CD1 4.23Å; R56-E88 HydrophobicContact CG-CG 4.28Å; R56-E88 IonicContact CZ-OE1 2.79Å; R56-E88 IonicContact NE-OE1 3.82Å; R56-E88 PolarHBondContact NE-OE1 2.98Å; R56-E88 IonicContact NH2-OE1 2.76Å; R56-E88 PolarHBondContact NH2-OE1 3.48Å |
| 57 | C | 96.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 120.5 | 176.4 | -176.8 | 0 | 0 | 0 | 0 | 110.5 | W38 L39 F66 L86 A87 F89 C104 | W38-C57 CarbonylContact O-C 3.4Å; W38-C57 VanDerWaalsContact O-CA 3.32Å; W38-C57 WeakPolarHBondContact O-CA 3.27Å; L39-C57 HydrophobicContact CD1-CB 4.15Å; C57-F66 HydrophobicContact CB-CD1 4.14Å; C57-L86 WeakPolarHBondContact O-CA 3.39Å; C57-A87 PolarHBondContact N-O 3.44Å; C57-A87 PolarHBondContact O-N 2.93Å; C57-F89 HydrophobicContact CB-CE2 4.03Å; C57-C104 HydrophobicContact CB-CB 3.76Å; C57-C104 WeakPolarHBondContact CB-SG 3.49Å; C57-C104 WeakPolarHBondContact SG-CB 3.49Å; C57-C104 CovalentContact SG-SG 2Å; C57-C104 PolarHBondContact SG-SG 3.05Å |
| 58 | R | 96.8 | Very high | 93.1 | Very high | 132 Ų | 132 | 40.9 Ų | 40.9 | 50% | 0.498 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 115.9 | 179.3 | -174.5 | 179.4 | -73.1 | 157.8 | -3.8 | 110.5 | P37 W38 E85 L86 | P37-R58 CarbonylContact C-O 3.59Å; P37-R58 WeakPolarHBondContact CA-O 3.45Å; P37-R58 WeakPolarHBondContact CB-O 3.48Å; W38-R58 HydrophobicContact CE3-CB 4.04Å; W38-R58 PolarHBondContact N-O 3.35Å; W38-R58 PolarHBondContact O-N 2.91Å; R58-E85 CarbonylContact C-O 3.43Å; R58-E85 VanDerWaalsContact CA-O 3.24Å; R58-E85 WeakPolarHBondContact CA-O 3.26Å; R58-L86 HydrophobicContact CB-CD1 4.11Å |
| 59 | A | 94.5 | Very high | 93.3 | Very high | 2 Ų | 2 | 39 Ų | 39 | 2% | 0.017 | 19% | 0.189 | C | C | . | . | trans | -81.3 | 152.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111 | Q61 F66 E85 Y106 | A59-Q61 VanDerWaalsContact CB-O 3.23Å; A59-Q61 WeakPolarHBondContact CB-O 3.41Å; A59-Q61 PolarHBondContact O-N 3.43Å; A59-F66 HydrophobicContact CB-CE1 3.63Å; A59-F66 HydrophobicContact CB-CZ 3.68Å; A59-E85 PolarHBondContact N-O 3.22Å; A59-Y106 HydrophobicContact CB-CD1 3.63Å; A59-Y106 HydrophobicContact CB-CD2 4.28Å; A59-Y106 HydrophobicContact CB-CE1 3.87Å; A59-Y106 HydrophobicContact CB-CE2 4.47Å; A59-Y106 HydrophobicContact CB-CG 3.85Å | ||
| 60 | P | 92 | Very high | 93.4 | Very high | 65 Ų | 65 | 41.3 Ų | 41.3 | 42% | 0.422 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -66.3 | -13.6 | 175.6 | -21.3 | 34.9 | 0 | 0 | 0 | 114.1 | P35 K36 | P35-P60 HydrophobicContact CB-CG 4.08Å; P35-P60 HydrophobicContact CG-CB 4.28Å; P35-P60 HydrophobicContact CG-CG 3.99Å; K36-P60 WeakPolarHBondContact O-CG 3.42Å |
| 61 | Q | 89.6 | Confident | 93.3 | Very high | 81 Ų | 81 | 44.8 Ų | 44.8 | 38% | 0.379 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -151.7 | 159.8 | -179.6 | -53.7 | 174.8 | 37.9 | 0 | 0 | 108.5 | A59 A63 R108 | A59-Q61 VanDerWaalsContact CB-O 3.23Å; A59-Q61 WeakPolarHBondContact CB-O 3.41Å; A59-Q61 PolarHBondContact O-N 3.43Å; Q61-A63 PolarHBondContact O-N 3.02Å; Q61-R108 VanDerWaalsContact OE1-CZ 3.26Å |
| 62 | P | 90.3 | Very high | 92.9 | Very high | 64 Ų | 64 | 47.3 Ų | 47.3 | 42% | 0.416 | 25% | 0.252 | S | S | . | . | trans | -56.8 | 137.5 | 178.6 | -24.7 | 33.3 | 0 | 0 | 0 | 111.1 | E85 R108 | P62-E85 HydrophobicContact CB-CG 4.48Å; P62-E85 HydrophobicContact CG-CG 3.89Å; P62-R108 PolarHBondContact O-NE 2.84Å; P62-R108 VanDerWaalsContact O-NE 3.08Å; P62-R108 PolarHBondContact O-NH2 2.69Å | ||
| 63 | A | 87.6 | Confident | 92.4 | Very high | 9 Ų | 9 | 47 Ų | 47 | 7% | 0.074 | 25% | 0.248 | C | C | . | . | trans | -118 | 174.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q61 F66 V82 S83 S84 Y106 | Q61-A63 PolarHBondContact O-N 3.02Å; A63-F66 HydrophobicContact CB-CD2 4.28Å; A63-F66 HydrophobicContact CB-CE2 3.67Å; A63-F66 HydrophobicContact CB-CZ 3.88Å; A63-V82 CarbonylContact C-O 3.58Å; A63-S83 WeakPolarHBondContact O-CA 3.49Å; A63-S84 PolarHBondContact N-O 3.3Å; A63-Y106 HydrophobicContact CB-CD2 3.63Å; A63-Y106 HydrophobicContact CB-CG 4.04Å | ||
| 64 | W | 87.1 | Confident | 91.7 | Very high | 136 Ų | 136 | 54.9 Ų | 54.9 | 52% | 0.515 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -103.1 | -38.9 | 170.5 | -178 | -90.3 | 0 | 0 | 0 | 111 | D81 V82 R107 P109 | W64-D81 CarbonylContact O-C 3.48Å; W64-D81 WeakPolarHBondContact O-CA 3.43Å; W64-V82 CarbonylContact C-O 3.5Å; W64-V82 PolarHBondContact O-N 3.35Å; W64-R107 PolarHBondContact N-O 2.99Å; W64-P109 HydrophobicContact CB-CG 3.54Å; W64-P109 HydrophobicContact CD2-CG 4.23Å; W64-P109 HydrophobicContact CG-CG 3.8Å |
| 65 | R | 94.2 | Very high | 91.1 | Very high | 68 Ų | 68 | 56.7 Ų | 56.7 | 26% | 0.257 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 131.3 | -176.5 | -174 | 167.7 | -74.4 | 179.2 | -8.6 | 110.6 | R80 D81 Y106 R107 W116 | R65-R80 WeakPolarHBondContact CA-O 3.43Å; R65-D81 WeakPolarHBondContact CB-OD1 3.34Å; R65-D81 WeakPolarHBondContact CG-OD1 3.26Å; R65-D81 IonicContact CZ-OD1 3.35Å; R65-D81 IonicContact CZ-OD2 3.59Å; R65-D81 IonicContact NE-OD1 2.69Å; R65-D81 PolarHBondContact NE-OD1 3.06Å; R65-D81 IonicContact NE-OD2 3.54Å; R65-D81 IonicContact NH2-OD1 3.18Å; R65-D81 PolarHBondContact NH2-OD1 3.28Å; R65-D81 IonicContact NH2-OD2 2.8Å; R65-D81 PolarHBondContact NH2-OD2 3.09Å; R65-Y106 CarbonylContact O-C 3.57Å; R65-Y106 VanDerWaalsContact O-CA 3.29Å; R65-Y106 WeakPolarHBondContact O-CA 2.95Å; R65-R107 PolarHBondContact N-O 3.31Å; R65-R107 VanDerWaalsContact N-O 3.09Å; R65-R107 VanDerWaalsContact NH1-NH2 3.19Å; R65-R107 PolarHBondContact O-N 3.36Å; R65-W116 HydrophobicContact CG-CH2 3.9Å; R65-W116 HydrophobicContact CG-CZ3 4.38Å |
| 66 | F | 95.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 143.3 | 168.8 | -70.6 | -102 | 0 | 0 | 0 | 109.5 | C57 A59 A63 F79 R80 S84 A87 F89 | C57-F66 HydrophobicContact CB-CD1 4.14Å; A59-F66 HydrophobicContact CB-CE1 3.63Å; A59-F66 HydrophobicContact CB-CZ 3.68Å; A63-F66 HydrophobicContact CB-CD2 4.28Å; A63-F66 HydrophobicContact CB-CE2 3.67Å; A63-F66 HydrophobicContact CB-CZ 3.88Å; F66-F79 CarbonylContact O-C 3.48Å; F66-F79 WeakPolarHBondContact O-CA 3.44Å; F66-F79 WeakPolarHBondContact O-CB 3.24Å; F66-R80 PolarHBondContact N-O 3.49Å; F66-R80 PolarHBondContact O-N 2.92Å; F66-S84 WeakPolarHBondContact CE2-O 3.48Å; F66-A87 HydrophobicContact CB-CB 3.56Å; F66-A87 HydrophobicContact CD1-CB 3.88Å; F66-A87 HydrophobicContact CD2-CB 3.46Å; F66-A87 VanDerWaalsContact CD2-CB 3.46Å; F66-A87 HydrophobicContact CE1-CB 4.39Å; F66-A87 HydrophobicContact CE2-CB 4.03Å; F66-A87 HydrophobicContact CG-CB 3.36Å; F66-A87 HydrophobicContact CZ-CB 4.46Å; F66-F89 HydrophobicContact CB-CE2 4.25Å; F66-F89 HydrophobicContact CB-CZ 3.74Å |
| 67 | G | 95.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 132.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | F69 C104 C105 | G67-F69 WeakPolarHBondContact O-CD2 3.4Å; G67-F69 WeakPolarHBondContact O-CE2 3.3Å; G67-C104 WeakPolarHBondContact O-CA 3.48Å; G67-C105 PolarHBondContact N-O 2.81Å; G67-C105 PolarHBondContact O-N 3.44Å |
| 68 | L | 96.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 127.3 | 172.1 | -170 | 77.3 | 0 | 0 | 0 | 108.6 | L39 L55 P76 L77 L78 F89 Y102 | L39-L68 HydrophobicContact CD1-CD1 4.17Å; L39-L68 HydrophobicContact CD2-CD1 4.1Å; L55-L68 HydrophobicContact CD1-CD1 4.11Å; L55-L68 HydrophobicContact CD1-CD2 3.62Å; L55-L68 HydrophobicContact CD1-CG 4.49Å; L68-P76 CarbonylContact O-C 3.59Å; L68-P76 WeakPolarHBondContact O-CA 3.09Å; L68-L77 PolarHBondContact O-N 2.73Å; L68-L78 HydrophobicContact CB-CB 4.33Å; L68-L78 HydrophobicContact CD2-CD1 4.36Å; L68-L78 PolarHBondContact N-O 3Å; L68-L78 PolarHBondContact O-N 2.99Å; L68-F89 HydrophobicContact CB-CD1 4.21Å; L68-F89 HydrophobicContact CB-CD2 4.31Å; L68-F89 HydrophobicContact CB-CE1 4.14Å; L68-F89 HydrophobicContact CB-CE2 4.24Å; L68-F89 HydrophobicContact CB-CG 4.28Å; L68-F89 HydrophobicContact CB-CZ 4.14Å; L68-F89 HydrophobicContact CD1-CD2 4.42Å; L68-F89 HydrophobicContact CD2-CB 4.33Å; L68-F89 HydrophobicContact CD2-CG 4.41Å; L68-Y102 HydrophobicContact CD1-CD1 4.31Å; L68-Y102 HydrophobicContact CD2-CD1 3.68Å; L68-Y102 HydrophobicContact CD2-CE1 4.02Å; L68-Y102 HydrophobicContact CG-CD1 3.9Å |
| 69 | F | 94.4 | Very high | 90.1 | Very high | 25 Ų | 25 | 60.4 Ų | 60.4 | 11% | 0.11 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 144 | -173 | -64.5 | -97.4 | 0 | 0 | 0 | 110.8 | G67 P76 Y102 R103 C105 W116 | G67-F69 WeakPolarHBondContact O-CD2 3.4Å; G67-F69 WeakPolarHBondContact O-CE2 3.3Å; F69-P76 HydrophobicContact CD1-CB 4.32Å; F69-P76 HydrophobicContact CE1-CB 3.89Å; F69-P76 HydrophobicContact CE1-CG 4.4Å; F69-P76 HydrophobicContact CE2-CB 4.12Å; F69-P76 HydrophobicContact CZ-CB 3.78Å; F69-P76 HydrophobicContact CZ-CG 4.29Å; F69-Y102 WeakPolarHBondContact O-CA 3.4Å; F69-R103 PolarHBondContact N-O 3.48Å; F69-R103 PolarHBondContact O-N 2.86Å; F69-C105 HydrophobicContact CD2-CB 4.37Å; F69-C105 HydrophobicContact CE2-CB 3.85Å; F69-W116 HydrophobicContact CZ-CD2 4.29Å; F69-W116 HydrophobicContact CZ-CZ2 4.28Å |
| 70 | K | 91.9 | Very high | 90.1 | Very high | 47 Ų | 47 | 66.8 Ų | 66.8 | 20% | 0.204 | 36% | 0.361 | C | S | . | . | trans | -97.8 | 154.2 | 164.4 | -80.8 | -167.8 | 169.6 | -164.5 | 0 | 110.6 | G72 E73 L77 Y102 | K70-G72 PolarHBondContact O-N 2.93Å; K70-E73 HydrophobicContact CB-CG 4.4Å; K70-E73 PolarHBondContact O-N 2.75Å; K70-L77 HydrophobicContact CD-CD2 4.36Å; K70-L77 HydrophobicContact CG-CD2 4.36Å; K70-Y102 HydrophobicContact CD-CE1 4.36Å; K70-Y102 WeakPolarHBondContact CE-OH 3.27Å; K70-Y102 HydrophobicContact CG-CD1 4.16Å; K70-Y102 HydrophobicContact CG-CE1 3.92Å; K70-Y102 PolarHBondContact NZ-OH 3.43Å | ||
| 71 | P | 85.4 | Confident | 90.1 | Very high | 87 Ų | 87 | 67.1 Ų | 67.1 | 57% | 0.565 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 135 | 175.8 | -24.4 | 30.1 | 0 | 0 | 0 | 112.2 | E73 S101 | P71-E73 PolarHBondContact O-N 3.04Å; P71-S101 WeakPolarHBondContact CD-O 3.26Å |
| 72 | G | 80.1 | Confident | 90.3 | Very high | 88 Ų | 88 | 65.4 Ų | 65.4 | 91% | 0.907 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | -6.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | K70 | K70-G72 PolarHBondContact O-N 2.93Š|
| 73 | E | 84.6 | Confident | 90.3 | Very high | 91 Ų | 91 | 66.8 Ų | 66.8 | 43% | 0.425 | 37% | 0.365 | S | S | . | . | trans | -94.3 | 128.6 | 175.7 | -65.1 | -175 | -156.8 | 0 | 0 | 111.6 | K70 P71 | K70-E73 HydrophobicContact CB-CG 4.4Å; K70-E73 PolarHBondContact O-N 2.75Å; P71-E73 PolarHBondContact O-N 3.04Å | ||
| 74 | I | 79.5 | Confident | 90.5 | Very high | 166 Ų | 166 | 68.6 Ų | 68.6 | 85% | 0.851 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -82.6 | -30.6 | 175.7 | -54.4 | 173.3 | 0 | 0 | 0 | 110.5 | ||
| 75 | A | 86 | Confident | 90.9 | Very high | 66 Ų | 66 | 66.4 Ų | 66.4 | 55% | 0.545 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -91.1 | 147.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | L77 | A75-L77 PolarHBondContact O-N 3.36Š|
| 76 | P | 87.8 | Confident | 91 | Very high | 39 Ų | 39 | 65.2 Ų | 65.2 | 25% | 0.253 | 37% | 0.371 | S | S | . | . | trans | -69.9 | 132.5 | 173.4 | 28.4 | -32.4 | 0 | 0 | 0 | 110.1 | L68 F69 L78 F79 | L68-P76 CarbonylContact O-C 3.59Å; L68-P76 WeakPolarHBondContact O-CA 3.09Å; F69-P76 HydrophobicContact CD1-CB 4.32Å; F69-P76 HydrophobicContact CE1-CB 3.89Å; F69-P76 HydrophobicContact CE1-CG 4.4Å; F69-P76 HydrophobicContact CE2-CB 4.12Å; F69-P76 HydrophobicContact CZ-CB 3.78Å; F69-P76 HydrophobicContact CZ-CG 4.29Å; P76-L78 VanDerWaalsContact C-N 3.28Å; P76-L78 PolarHBondContact O-N 3.43Å; P76-F79 HydrophobicContact CG-CB 4.34Å | ||
| 77 | L | 92.1 | Very high | 91 | Very high | 76 Ų | 76 | 65.2 Ų | 65.2 | 40% | 0.398 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -59.7 | -43.8 | 171.2 | 178.8 | 71.1 | 0 | 0 | 0 | 110.5 | L68 K70 A75 Y102 | L68-L77 PolarHBondContact O-N 2.73Å; K70-L77 HydrophobicContact CD-CD2 4.36Å; K70-L77 HydrophobicContact CG-CD2 4.36Å; A75-L77 PolarHBondContact O-N 3.36Å; L77-Y102 HydrophobicContact CD2-CE1 3.86Å |
| 78 | L | 93.7 | Very high | 91.1 | Very high | 55 Ų | 55 | 68.3 Ų | 68.3 | 29% | 0.288 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 142.3 | 175.9 | -63.9 | 174.1 | 0 | 0 | 0 | 109.1 | L68 P76 F89 L91 | L68-L78 HydrophobicContact CB-CB 4.33Å; L68-L78 HydrophobicContact CD2-CD1 4.36Å; L68-L78 PolarHBondContact N-O 3Å; L68-L78 PolarHBondContact O-N 2.99Å; P76-L78 VanDerWaalsContact C-N 3.28Å; P76-L78 PolarHBondContact O-N 3.43Å; L78-F89 HydrophobicContact CB-CD1 3.69Å; L78-F89 HydrophobicContact CB-CE1 4.1Å; L78-F89 HydrophobicContact CD1-CB 4.26Å; L78-F89 HydrophobicContact CD1-CD1 4.42Å; L78-L91 HydrophobicContact CD1-CD2 3.89Å |
| 79 | F | 93.5 | Very high | 91.1 | Very high | 103 Ų | 103 | 68.5 Ų | 68.5 | 45% | 0.452 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 151.4 | 170 | 67.1 | -88.1 | 0 | 0 | 0 | 110.6 | F66 P76 | F66-F79 CarbonylContact O-C 3.48Å; F66-F79 WeakPolarHBondContact O-CA 3.44Å; F66-F79 WeakPolarHBondContact O-CB 3.24Å; P76-F79 HydrophobicContact CG-CB 4.34Å |
| 80 | R | 94.4 | Very high | 91.2 | Very high | 136 Ų | 136 | 73.2 Ų | 73.2 | 51% | 0.513 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 133.2 | 176.6 | -71.5 | -69.6 | 94.4 | 151.1 | 5.2 | 108.8 | R65 F66 V82 A87 F89 | R65-R80 WeakPolarHBondContact CA-O 3.43Å; F66-R80 PolarHBondContact N-O 3.49Å; F66-R80 PolarHBondContact O-N 2.92Å; R80-V82 HydrophobicContact CB-CG2 4.02Å; R80-A87 HydrophobicContact CB-CB 4.46Å; R80-F89 HydrophobicContact CB-CE1 4.11Å; R80-F89 HydrophobicContact CB-CZ 4.49Å; R80-F89 HydrophobicContact CG-CD1 3.87Å; R80-F89 HydrophobicContact CG-CE1 3.72Å; R80-F89 HydrophobicContact CG-CZ 4.45Å |
| 81 | D | 93.2 | Very high | 91.3 | Very high | 73 Ų | 73 | 71.6 Ų | 71.6 | 39% | 0.39 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 112.3 | 170.4 | -70.7 | -53.8 | 0 | 0 | 0 | 108.3 | W64 R65 | W64-D81 CarbonylContact O-C 3.48Å; W64-D81 WeakPolarHBondContact O-CA 3.43Å; R65-D81 WeakPolarHBondContact CB-OD1 3.34Å; R65-D81 WeakPolarHBondContact CG-OD1 3.26Å; R65-D81 IonicContact CZ-OD1 3.35Å; R65-D81 IonicContact CZ-OD2 3.59Å; R65-D81 IonicContact NE-OD1 2.69Å; R65-D81 PolarHBondContact NE-OD1 3.06Å; R65-D81 IonicContact NE-OD2 3.54Å; R65-D81 IonicContact NH2-OD1 3.18Å; R65-D81 PolarHBondContact NH2-OD1 3.28Å; R65-D81 IonicContact NH2-OD2 2.8Å; R65-D81 PolarHBondContact NH2-OD2 3.09Å |
| 82 | V | 92.4 | Very high | 91.6 | Very high | 44 Ų | 44 | 74.5 Ų | 74.5 | 27% | 0.267 | 41% | 0.407 | S | S | . | . | trans | -144.5 | 125.9 | -176.2 | -170.9 | 0 | 0 | 0 | 0 | 107.8 | A63 W64 R80 S84 A87 | A63-V82 CarbonylContact C-O 3.58Å; W64-V82 CarbonylContact C-O 3.5Å; W64-V82 PolarHBondContact O-N 3.35Å; R80-V82 HydrophobicContact CB-CG2 4.02Å; V82-S84 WeakPolarHBondContact CG1-OG 3.36Å; V82-S84 PolarHBondContact O-N 3.46Å; V82-S84 VanDerWaalsContact O-N 3.16Å; V82-A87 HydrophobicContact CG2-CB 4.26Å | ||
| 83 | S | 90.2 | Very high | 91.9 | Very high | 94 Ų | 94 | 73 Ų | 73 | 66% | 0.657 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -82.6 | 28.9 | 178.2 | 53.4 | 0 | 0 | 0 | 0 | 113.6 | A63 | A63-S83 WeakPolarHBondContact O-CA 3.49Š|
| 84 | S | 92.8 | Very high | 92.2 | Very high | 46 Ų | 46 | 68.6 Ų | 68.6 | 32% | 0.322 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -126.6 | 176.6 | -175.8 | 94 | 0 | 0 | 0 | 0 | 111 | A63 F66 V82 L86 | A63-S84 PolarHBondContact N-O 3.3Å; F66-S84 WeakPolarHBondContact CE2-O 3.48Å; V82-S84 WeakPolarHBondContact CG1-OG 3.36Å; V82-S84 PolarHBondContact O-N 3.46Å; V82-S84 VanDerWaalsContact O-N 3.16Å; S84-L86 VanDerWaalsContact C-N 3.27Å; S84-L86 PolarHBondContact OG-N 3.45Å; S84-L86 VanDerWaalsContact OG-N 3.08Å; S84-L86 PolarHBondContact OG-O 3.06Å |
| 85 | E | 94.9 | Very high | 92.5 | Very high | 91 Ų | 91 | 63 Ų | 63 | 43% | 0.425 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -77.2 | -13.9 | 175 | -66.4 | -179 | 176.4 | 0 | 0 | 113 | R58 A59 P62 | R58-E85 CarbonylContact C-O 3.43Å; R58-E85 VanDerWaalsContact CA-O 3.24Å; R58-E85 WeakPolarHBondContact CA-O 3.26Å; A59-E85 PolarHBondContact N-O 3.22Å; P62-E85 HydrophobicContact CB-CG 4.48Å; P62-E85 HydrophobicContact CG-CG 3.89Å |
| 86 | L | 96.4 | Very high | 92.4 | Very high | 42 Ų | 42 | 61.3 Ų | 61.3 | 22% | 0.22 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 129.3 | -173.7 | -175.4 | 70.6 | 0 | 0 | 0 | 110.9 | R56 C57 R58 S84 E88 | R56-L86 HydrophobicContact CB-CD1 4.23Å; C57-L86 WeakPolarHBondContact O-CA 3.39Å; R58-L86 HydrophobicContact CB-CD1 4.11Å; S84-L86 VanDerWaalsContact C-N 3.27Å; S84-L86 PolarHBondContact OG-N 3.45Å; S84-L86 VanDerWaalsContact OG-N 3.08Å; S84-L86 PolarHBondContact OG-O 3.06Å; L86-E88 HydrophobicContact CG-CG 4.47Å |
| 87 | A | 96.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.008 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 142.9 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | C57 F66 R80 V82 F89 | C57-A87 PolarHBondContact N-O 3.44Å; C57-A87 PolarHBondContact O-N 2.93Å; F66-A87 HydrophobicContact CB-CB 3.56Å; F66-A87 HydrophobicContact CD1-CB 3.88Å; F66-A87 HydrophobicContact CD2-CB 3.46Å; F66-A87 VanDerWaalsContact CD2-CB 3.46Å; F66-A87 HydrophobicContact CE1-CB 4.39Å; F66-A87 HydrophobicContact CE2-CB 4.03Å; F66-A87 HydrophobicContact CG-CB 3.36Å; F66-A87 HydrophobicContact CZ-CB 4.46Å; R80-A87 HydrophobicContact CB-CB 4.46Å; V82-A87 HydrophobicContact CG2-CB 4.26Å; A87-F89 HydrophobicContact CB-CE2 4.23Å; A87-F89 HydrophobicContact CB-CZ 4.45Å |
| 88 | E | 97.1 | Very high | 92 | Very high | 65 Ų | 65 | 63.1 Ų | 63.1 | 30% | 0.304 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 128.1 | 178.8 | -60.8 | -173.1 | 155.6 | 0 | 0 | 109.3 | T54 L55 R56 L86 F90 | T54-E88 HydrophobicContact CG2-CB 3.9Å; T54-E88 HydrophobicContact CG2-CG 4.32Å; L55-E88 WeakPolarHBondContact O-CA 3.44Å; R56-E88 HydrophobicContact CG-CG 4.28Å; R56-E88 IonicContact CZ-OE1 2.79Å; R56-E88 IonicContact NE-OE1 3.82Å; R56-E88 PolarHBondContact NE-OE1 2.98Å; R56-E88 IonicContact NH2-OE1 2.76Å; R56-E88 PolarHBondContact NH2-OE1 3.48Å; L86-E88 HydrophobicContact CG-CG 4.47Å; E88-F90 HydrophobicContact CB-CE2 4.05Å; E88-F90 HydrophobicContact CB-CZ 3.93Å |
| 89 | F | 96.6 | Very high | 91.9 | Very high | 4 Ų | 4 | 61.5 Ų | 61.5 | 2% | 0.018 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 116.2 | 176.4 | -58.1 | -85.6 | 0 | 0 | 0 | 108.3 | T54 L55 C57 F66 L68 L78 R80 A87 | T54-F89 WeakPolarHBondContact CA-O 3.36Å; L55-F89 HydrophobicContact CB-CB 4.26Å; L55-F89 PolarHBondContact N-O 3.3Å; L55-F89 PolarHBondContact O-N 2.99Å; C57-F89 HydrophobicContact CB-CE2 4.03Å; F66-F89 HydrophobicContact CB-CE2 4.25Å; F66-F89 HydrophobicContact CB-CZ 3.74Å; L68-F89 HydrophobicContact CB-CD1 4.21Å; L68-F89 HydrophobicContact CB-CD2 4.31Å; L68-F89 HydrophobicContact CB-CE1 4.14Å; L68-F89 HydrophobicContact CB-CE2 4.24Å; L68-F89 HydrophobicContact CB-CG 4.28Å; L68-F89 HydrophobicContact CB-CZ 4.14Å; L68-F89 HydrophobicContact CD1-CD2 4.42Å; L68-F89 HydrophobicContact CD2-CB 4.33Å; L68-F89 HydrophobicContact CD2-CG 4.41Å; L78-F89 HydrophobicContact CB-CD1 3.69Å; L78-F89 HydrophobicContact CB-CE1 4.1Å; L78-F89 HydrophobicContact CD1-CB 4.26Å; L78-F89 HydrophobicContact CD1-CD1 4.42Å; R80-F89 HydrophobicContact CB-CE1 4.11Å; R80-F89 HydrophobicContact CB-CZ 4.49Å; R80-F89 HydrophobicContact CG-CD1 3.87Å; R80-F89 HydrophobicContact CG-CE1 3.72Å; R80-F89 HydrophobicContact CG-CZ 4.45Å; A87-F89 HydrophobicContact CB-CE2 4.23Å; A87-F89 HydrophobicContact CB-CZ 4.45Å |
| 90 | F | 95.5 | Very high | 91.9 | Very high | 124 Ų | 124 | 58 Ų | 58 | 54% | 0.544 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 124.1 | -177.9 | -60.1 | -79.4 | 0 | 0 | 0 | 110.3 | T54 E88 | T54-F90 HydrophobicContact CG2-CD1 3.82Å; T54-F90 HydrophobicContact CG2-CE1 3.54Å; T54-F90 HydrophobicContact CG2-CZ 4.17Å; T54-F90 VanDerWaalsContact OG1-CD1 3.31Å; T54-F90 WeakPolarHBondContact OG1-CD1 3.42Å; T54-F90 WeakPolarHBondContact OG1-CE1 3.38Å; E88-F90 HydrophobicContact CB-CE2 4.05Å; E88-F90 HydrophobicContact CB-CZ 3.93Å |
| 91 | L | 93.8 | Very high | 92 | Very high | 12 Ų | 12 | 53 Ų | 53 | 6% | 0.063 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 106.3 | 169.8 | -53.8 | 179 | 0 | 0 | 0 | 107.3 | N52 V53 L55 L78 V94 L125 | N52-L91 WeakPolarHBondContact CA-O 3.43Å; V53-L91 HydrophobicContact CB-CB 4.39Å; V53-L91 PolarHBondContact N-O 2.95Å; V53-L91 PolarHBondContact O-N 3.29Å; L55-L91 HydrophobicContact CD1-CD1 3.85Å; L55-L91 HydrophobicContact CD1-CG 4.49Å; L55-L91 HydrophobicContact CG-CD1 4.18Å; L78-L91 HydrophobicContact CD1-CD2 3.89Å; L91-V94 HydrophobicContact CB-CG1 3.65Å; L91-L125 HydrophobicContact CD1-CD2 3.83Å |
| 92 | E | 91.3 | Very high | 92.1 | Very high | 149 Ų | 149 | 49.6 Ų | 49.6 | 70% | 0.696 | 29% | 0.288 | S | S | * | . | trans | -83.8 | 141.7 | -179.6 | -66 | -176.7 | 177.7 | 0 | 0 | 111.4 | V94 | E92-V94 PolarHBondContact O-N 3.34Š| ||
| 93 | E | 88.2 | Confident | 92.3 | Very high | 55 Ų | 55 | 52.3 Ų | 52.3 | 26% | 0.257 | 29% | 0.293 | S | S | . | . | S | Bend | trans | 43 | 56.6 | 175 | -64.6 | -178.4 | -161.5 | 0 | 0 | 112.5 | N52 T95 L158 R159 | N52-E93 PolarHBondContact OD1-N 3.4Å; E93-T95 PolarHBondContact O-N 3.01Å; E93-L158 HydrophobicContact CB-CD2 4.2Å; E93-R159 IonicContact OE1-CZ 3.76Å; E93-R159 IonicContact OE1-NE 2.74Å; E93-R159 PolarHBondContact OE1-NE 2.81Å; E93-R159 IonicContact OE1-NH2 3.65Å; E93-R159 IonicContact OE2-NE 2.68Å |
| 94 | V | 89.9 | Confident | 92.6 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -56.7 | 140.6 | -166.5 | -60.1 | 0 | 0 | 0 | 0 | 113.1 | V47 P49 G50 V51 V53 L91 E92 Q98 V127 | V47-V94 HydrophobicContact CG2-CG2 3.81Å; P49-V94 CarbonylContact C-O 3.53Å; P49-V94 WeakPolarHBondContact CA-O 3.41Å; G50-V94 PolarHBondContact N-O 2.89Å; V51-V94 VanDerWaalsContact O-CG2 3.3Å; V51-V94 WeakPolarHBondContact O-CG2 3.34Å; V51-V94 PolarHBondContact O-N 3.01Å; V51-V94 VanDerWaalsContact O-N 3.14Å; V53-V94 HydrophobicContact CB-CG1 4.08Å; V53-V94 HydrophobicContact CG2-CG1 3.87Å; V53-V94 HydrophobicContact CG2-CG2 4.25Å; L91-V94 HydrophobicContact CB-CG1 3.65Å; E92-V94 PolarHBondContact O-N 3.34Å; V94-Q98 VanDerWaalsContact CA-OE1 3.27Å; V94-V127 HydrophobicContact CB-CG2 4.46Å; V94-V127 HydrophobicContact CG2-CG1 4.29Å; V94-V127 HydrophobicContact CG2-CG2 4.09Å | ||
| 95 | T | 86.1 | Confident | 92.7 | Very high | 48 Ų | 48 | 46.2 Ų | 46.2 | 29% | 0.294 | 25% | 0.251 | S | S | . | . | trans | -109.3 | 158.3 | 179 | 59.8 | 0 | 0 | 0 | 0 | 111 | E93 A97 Q98 | E93-T95 PolarHBondContact O-N 3.01Å; T95-A97 PolarHBondContact O-N 2.89Å; T95-A97 VanDerWaalsContact O-N 3.14Å; T95-Q98 WeakPolarHBondContact O-CB 3.36Å; T95-Q98 PolarHBondContact O-N 2.96Å; T95-Q98 PolarHBondContact OG1-OE1 3.5Å | ||
| 96 | P | 84.6 | Confident | 92.6 | Very high | 31 Ų | 31 | 42 Ų | 42 | 20% | 0.201 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -51.6 | -37.1 | 175.3 | -28.9 | 36.4 | 0 | 0 | 0 | 113.4 | P49 Q98 G99 V127 | P49-P96 HydrophobicContact CG-CG 4.07Å; P96-Q98 PolarHBondContact O-N 3.39Å; P96-G99 PolarHBondContact O-N 2.87Å; P96-V127 HydrophobicContact CG-CG1 4.44Å |
| 97 | A | 83.3 | Confident | 92.4 | Very high | 90 Ų | 90 | 42.6 Ų | 42.6 | 74% | 0.744 | 23% | 0.231 | S | C | * | . | G | 310 helix | trans | -65.4 | -20.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | T95 G99 | T95-A97 PolarHBondContact O-N 2.89Å; T95-A97 VanDerWaalsContact O-N 3.14Å; A97-G99 VanDerWaalsContact C-N 3.32Å |
| 98 | Q | 88.2 | Confident | 92 | Very high | 63 Ų | 63 | 45.2 Ų | 45.2 | 29% | 0.294 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -85.6 | -5.5 | 174.6 | -71.5 | 167 | -48.9 | 0 | 0 | 112.6 | V94 T95 P96 Y102 | V94-Q98 VanDerWaalsContact CA-OE1 3.27Å; T95-Q98 WeakPolarHBondContact O-CB 3.36Å; T95-Q98 PolarHBondContact O-N 2.96Å; T95-Q98 PolarHBondContact OG1-OE1 3.5Å; P96-Q98 PolarHBondContact O-N 3.39Å; Q98-Y102 PolarHBondContact O-OH 3.33Å |
| 99 | G | 90.9 | Very high | 91.6 | Very high | 20 Ų | 20 | 46.6 Ų | 46.6 | 21% | 0.206 | 26% | 0.255 | C | S | . | . | trans | -62 | 166.9 | 170 | 0 | 0 | 0 | 0 | 0 | 113.3 | P96 A97 L125 | P96-G99 PolarHBondContact O-N 2.87Å; A97-G99 VanDerWaalsContact C-N 3.32Å; G99-L125 CarbonylContact C-O 3.51Å; G99-L125 VanDerWaalsContact CA-O 3.24Å; G99-L125 WeakPolarHBondContact CA-O 3.29Å | ||
| 100 | G | 93.4 | Very high | 91.1 | Very high | 29 Ų | 29 | 52.1 Ų | 52.1 | 30% | 0.299 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 118.8 | -166.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114 | Y102 L125 | G100-Y102 WeakPolarHBondContact O-CD2 3.28Å; G100-L125 PolarHBondContact N-O 3.28Å; G100-L125 PolarHBondContact O-N 3.02Å |
| 101 | S | 95.5 | Very high | 90.8 | Very high | 32 Ų | 32 | 47.9 Ų | 47.9 | 22% | 0.224 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 137.7 | -174.4 | -37.9 | 0 | 0 | 0 | 0 | 112.4 | P71 L123 E124 | P71-S101 WeakPolarHBondContact CD-O 3.26Å; S101-L123 CarbonylContact C-O 3.4Å; S101-L123 WeakPolarHBondContact CA-O 3.35Å; S101-E124 WeakPolarHBondContact CB-OE1 3.28Å; S101-E124 PolarHBondContact N-OE2 3.39Å; S101-E124 PolarHBondContact OG-OE1 3.18Å; S101-E124 PolarHBondContact OG-OE2 2.98Å; S101-E124 VanDerWaalsContact OG-OE2 3.09Å |
| 102 | Y | 96.4 | Very high | 90.2 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.008 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 145 | 174.1 | -69.3 | -88.8 | 0 | 0 | 0 | 110.8 | L55 L68 F69 K70 L77 Q98 G100 L123 L125 | L55-Y102 HydrophobicContact CD1-CD1 4.19Å; L55-Y102 HydrophobicContact CD1-CD2 4.42Å; L55-Y102 HydrophobicContact CD1-CG 4.12Å; L68-Y102 HydrophobicContact CD1-CD1 4.31Å; L68-Y102 HydrophobicContact CD2-CD1 3.68Å; L68-Y102 HydrophobicContact CD2-CE1 4.02Å; L68-Y102 HydrophobicContact CG-CD1 3.9Å; F69-Y102 WeakPolarHBondContact O-CA 3.4Å; K70-Y102 HydrophobicContact CD-CE1 4.36Å; K70-Y102 WeakPolarHBondContact CE-OH 3.27Å; K70-Y102 HydrophobicContact CG-CD1 4.16Å; K70-Y102 HydrophobicContact CG-CE1 3.92Å; K70-Y102 PolarHBondContact NZ-OH 3.43Å; L77-Y102 HydrophobicContact CD2-CE1 3.86Å; Q98-Y102 PolarHBondContact O-OH 3.33Å; G100-Y102 WeakPolarHBondContact O-CD2 3.28Å; Y102-L123 PolarHBondContact N-O 3.4Å; Y102-L123 PolarHBondContact O-N 2.71Å; Y102-L125 HydrophobicContact CD2-CB 4.06Å; Y102-L125 HydrophobicContact CE2-CB 3.93Å; Y102-L125 HydrophobicContact CE2-CD2 4.07Å |
| 103 | R | 96.4 | Very high | 89.8 | Confident | 100 Ų | 100 | 48 Ų | 48 | 38% | 0.377 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 147.8 | 170.8 | -69.1 | 178.3 | 178.3 | -90.7 | 8.4 | 109.8 | F69 P119 S120 V122 | F69-R103 PolarHBondContact N-O 3.48Å; F69-R103 PolarHBondContact O-N 2.86Å; R103-P119 HydrophobicContact CB-CB 4.38Å; R103-S120 PolarHBondContact NH1-O 2.86Å; R103-V122 HydrophobicContact CG-CG2 4.23Å |
| 104 | C | 95.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 140.4 | 173.5 | -177.9 | 0 | 0 | 0 | 0 | 111.1 | P37 L39 C57 G67 S120 | P37-C104 HydrophobicContact CG-CB 4.46Å; P37-C104 VanDerWaalsContact CG-O 3.23Å; P37-C104 WeakPolarHBondContact CG-O 3.48Å; L39-C104 HydrophobicContact CB-CB 4.25Å; L39-C104 HydrophobicContact CD1-CB 4.12Å; L39-C104 HydrophobicContact CD2-CB 4.21Å; L39-C104 HydrophobicContact CG-CB 4.43Å; C57-C104 HydrophobicContact CB-CB 3.76Å; C57-C104 WeakPolarHBondContact CB-SG 3.49Å; C57-C104 WeakPolarHBondContact SG-CB 3.49Å; C57-C104 CovalentContact SG-SG 2Å; C57-C104 PolarHBondContact SG-SG 3.05Å; G67-C104 WeakPolarHBondContact O-CA 3.48Å; C104-S120 PolarHBondContact N-OG 3.03Å; C104-S120 PolarHBondContact O-N 2.84Å |
| 105 | C | 94.9 | Very high | 89.4 | Confident | 13 Ų | 13 | 50.9 Ų | 50.9 | 9% | 0.088 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 158.6 | 166 | -52.8 | 0 | 0 | 0 | 0 | 109.3 | G67 F69 W116 | G67-C105 PolarHBondContact N-O 2.81Å; G67-C105 PolarHBondContact O-N 3.44Å; F69-C105 HydrophobicContact CD2-CB 4.37Å; F69-C105 HydrophobicContact CE2-CB 3.85Å; C105-W116 HydrophobicContact CB-CB 4.1Å; C105-W116 HydrophobicContact CB-CD2 4.36Å; C105-W116 HydrophobicContact CB-CE3 3.86Å; C105-W116 HydrophobicContact CB-CG 4.49Å |
| 106 | Y | 94.1 | Very high | 89.7 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.008 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 161.9 | 170.4 | 68.8 | -87.8 | 0 | 0 | 0 | 110.7 | P35 P37 A59 A63 R65 W111 S117 | P35-Y106 WeakPolarHBondContact O-CE1 3.49Å; P35-Y106 PolarHBondContact O-OH 3.02Å; P37-Y106 HydrophobicContact CB-CD1 3.92Å; P37-Y106 HydrophobicContact CB-CE1 4.23Å; P37-Y106 HydrophobicContact CG-CD1 3.96Å; P37-Y106 HydrophobicContact CG-CE1 4.37Å; A59-Y106 HydrophobicContact CB-CD1 3.63Å; A59-Y106 HydrophobicContact CB-CD2 4.28Å; A59-Y106 HydrophobicContact CB-CE1 3.87Å; A59-Y106 HydrophobicContact CB-CE2 4.47Å; A59-Y106 HydrophobicContact CB-CG 3.85Å; A63-Y106 HydrophobicContact CB-CD2 3.63Å; A63-Y106 HydrophobicContact CB-CG 4.04Å; R65-Y106 CarbonylContact O-C 3.57Å; R65-Y106 VanDerWaalsContact O-CA 3.29Å; R65-Y106 WeakPolarHBondContact O-CA 2.95Å; Y106-W111 AromaticContact CD2-CH2 3.93Å; Y106-W111 HydrophobicContact CD2-CH2 3.93Å; Y106-W111 HydrophobicContact CD2-CZ3 4.38Å; Y106-W111 AromaticContact CE2-CH2 3.42Å; Y106-W111 HydrophobicContact CE2-CH2 3.42Å; Y106-W111 VanDerWaalsContact CE2-CH2 3.42Å; Y106-W111 HydrophobicContact CE2-CZ2 4Å; Y106-W111 HydrophobicContact CE2-CZ3 4.28Å; Y106-W111 WeakPolarHBondContact O-CZ3 3.48Å; Y106-S117 VanDerWaalsContact CD1-OG 3.29Å; Y106-S117 WeakPolarHBondContact CD1-OG 3.2Å; Y106-S117 VanDerWaalsContact CE1-CB 3.41Å; Y106-S117 PolarHBondContact N-OG 2.68Å; Y106-S117 WeakPolarHBondContact O-CB 3.44Å; Y106-S117 PolarHBondContact O-N 3.03Å; Y106-S117 PolarHBondContact O-OG 2.8Å |
| 107 | R | 91.7 | Very high | 90.1 | Very high | 55 Ų | 55 | 50.6 Ų | 50.6 | 21% | 0.208 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 141.7 | 178.5 | 179 | -178.6 | 76.9 | 155.7 | 7.6 | 109.9 | W64 R65 W111 V115 W116 | W64-R107 PolarHBondContact N-O 2.99Å; R65-R107 PolarHBondContact N-O 3.31Å; R65-R107 VanDerWaalsContact N-O 3.09Å; R65-R107 VanDerWaalsContact NH1-NH2 3.19Å; R65-R107 PolarHBondContact O-N 3.36Å; R107-W111 HydrophobicContact CB-CE3 4.47Å; R107-W111 HydrophobicContact CG-CE3 4.24Å; R107-V115 VanDerWaalsContact CD-O 3.27Å; R107-V115 WeakPolarHBondContact CD-O 3.49Å; R107-V115 WeakPolarHBondContact CG-O 3.37Å; R107-W116 HydrophobicContact CB-CD2 4.13Å; R107-W116 HydrophobicContact CB-CE3 3.68Å; R107-W116 HydrophobicContact CB-CH2 4.41Å; R107-W116 HydrophobicContact CB-CZ3 3.83Å |
| 108 | R | 89.5 | Confident | 90.5 | Very high | 55 Ų | 55 | 50.3 Ų | 50.3 | 21% | 0.208 | 29% | 0.292 | C | S | . | . | trans | -104.3 | 156.2 | 171.3 | -58.5 | -174.4 | 152.7 | 171.3 | -6 | 112.5 | Q61 P62 D110 W111 | Q61-R108 VanDerWaalsContact OE1-CZ 3.26Å; P62-R108 PolarHBondContact O-NE 2.84Å; P62-R108 VanDerWaalsContact O-NE 3.08Å; P62-R108 PolarHBondContact O-NH2 2.69Å; R108-D110 VanDerWaalsContact C-N 3.27Å; R108-D110 WeakPolarHBondContact CB-OD1 3.46Å; R108-D110 PolarHBondContact O-N 2.91Å; R108-W111 HydrophobicContact CB-CD2 4.11Å; R108-W111 HydrophobicContact CB-CG 4.16Å; R108-W111 HydrophobicContact CB-CZ2 4.49Å; R108-W111 HydrophobicContact CG-CD2 4.44Å; R108-W111 HydrophobicContact CG-CZ2 3.96Å; R108-W111 WeakPolarHBondContact O-CB 3.3Å; R108-W111 PolarHBondContact O-N 3.02Å | ||
| 109 | P | 86.8 | Confident | 90.8 | Very high | 95 Ų | 95 | 50.2 Ų | 50.2 | 62% | 0.617 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -27.1 | -179.5 | -19.6 | 34.1 | 0 | 0 | 0 | 113.8 | W64 W111 | W64-P109 HydrophobicContact CB-CG 3.54Å; W64-P109 HydrophobicContact CD2-CG 4.23Å; W64-P109 HydrophobicContact CG-CG 3.8Å; P109-W111 PolarHBondContact O-N 2.91Å |
| 110 | D | 87.8 | Confident | 91.1 | Very high | 120 Ų | 120 | 49.3 Ų | 49.3 | 64% | 0.642 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -13.8 | 176.9 | 58.6 | -57 | 0 | 0 | 0 | 113 | R108 | R108-D110 VanDerWaalsContact C-N 3.27Å; R108-D110 WeakPolarHBondContact CB-OD1 3.46Å; R108-D110 PolarHBondContact O-N 2.91Å |
| 111 | W | 87.4 | Confident | 91.1 | Very high | 35 Ų | 35 | 52.7 Ų | 52.7 | 13% | 0.133 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -82.6 | 147.8 | 176.5 | -58.7 | -1.7 | 0 | 0 | 0 | 110.4 | H34 Y106 R107 R108 P109 V115 | H34-W111 HydrophobicContact CB-CH2 3.77Å; H34-W111 HydrophobicContact CB-CZ2 4.2Å; H34-W111 HydrophobicContact CB-CZ3 4.35Å; H34-W111 AromaticContact CE1-CD2 3.92Å; H34-W111 AromaticContact CE1-CE2 3.54Å; H34-W111 AromaticContact CE1-CZ2 3.79Å; H34-W111 AromaticContact CE1-NE1 3.75Å; H34-W111 AromaticContact CG-CH2 3.7Å; H34-W111 AromaticContact CG-CZ2 3.8Å; H34-W111 AromaticContact ND1-CE2 3.38Å; H34-W111 AromaticContact ND1-CH2 3.53Å; H34-W111 AromaticContact ND1-CZ2 3.11Å; H34-W111 WeakPolarHBondContact ND1-CZ2 3.33Å; H34-W111 AromaticContact ND1-NE1 3.9Å; Y106-W111 AromaticContact CD2-CH2 3.93Å; Y106-W111 HydrophobicContact CD2-CH2 3.93Å; Y106-W111 HydrophobicContact CD2-CZ3 4.38Å; Y106-W111 AromaticContact CE2-CH2 3.42Å; Y106-W111 HydrophobicContact CE2-CH2 3.42Å; Y106-W111 VanDerWaalsContact CE2-CH2 3.42Å; Y106-W111 HydrophobicContact CE2-CZ2 4Å; Y106-W111 HydrophobicContact CE2-CZ3 4.28Å; Y106-W111 WeakPolarHBondContact O-CZ3 3.48Å; R107-W111 HydrophobicContact CB-CE3 4.47Å; R107-W111 HydrophobicContact CG-CE3 4.24Å; R108-W111 HydrophobicContact CB-CD2 4.11Å; R108-W111 HydrophobicContact CB-CG 4.16Å; R108-W111 HydrophobicContact CB-CZ2 4.49Å; R108-W111 HydrophobicContact CG-CD2 4.44Å; R108-W111 HydrophobicContact CG-CZ2 3.96Å; R108-W111 WeakPolarHBondContact O-CB 3.3Å; R108-W111 PolarHBondContact O-N 3.02Å; P109-W111 PolarHBondContact O-N 2.91Å; W111-V115 HydrophobicContact CB-CB 4.25Å; W111-V115 HydrophobicContact CB-CG1 4.39Å; W111-V115 HydrophobicContact CE3-CG1 4.35Å |
| 112 | G | 82.6 | Confident | 91.2 | Very high | 36 Ų | 36 | 54.1 Ų | 54.1 | 37% | 0.371 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 156.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G114 V115 | G112-G114 PolarHBondContact O-N 2.92Å; G112-V115 WeakPolarHBondContact O-CB 3.29Å; G112-V115 WeakPolarHBondContact O-CG2 3.17Å; G112-V115 PolarHBondContact O-N 2.84Å; G112-V115 VanDerWaalsContact O-N 3.13Å |
| 113 | P | 83.3 | Confident | 91.2 | Very high | 127 Ų | 127 | 54.7 Ų | 54.7 | 83% | 0.825 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 135.9 | 178.8 | 25.9 | -34.1 | 0 | 0 | 0 | 110.6 | V115 | P113-V115 PolarHBondContact O-N 2.98Š|
| 114 | G | 80.6 | Confident | 91.2 | Very high | 57 Ų | 57 | 54.1 Ų | 54.1 | 59% | 0.588 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.3 | -2.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | G112 W116 | G112-G114 PolarHBondContact O-N 2.92Å; G114-W116 VanDerWaalsContact O-CD1 3.28Å |
| 115 | V | 88.9 | Confident | 91.3 | Very high | 58 Ų | 58 | 54.2 Ų | 54.2 | 35% | 0.352 | 31% | 0.311 | S | S | . | . | trans | -81.7 | 129.2 | 176.2 | -177.5 | 0 | 0 | 0 | 0 | 110.1 | R107 W111 G112 P113 | R107-V115 VanDerWaalsContact CD-O 3.27Å; R107-V115 WeakPolarHBondContact CD-O 3.49Å; R107-V115 WeakPolarHBondContact CG-O 3.37Å; W111-V115 HydrophobicContact CB-CB 4.25Å; W111-V115 HydrophobicContact CB-CG1 4.39Å; W111-V115 HydrophobicContact CE3-CG1 4.35Å; G112-V115 WeakPolarHBondContact O-CB 3.29Å; G112-V115 WeakPolarHBondContact O-CG2 3.17Å; G112-V115 PolarHBondContact O-N 2.84Å; G112-V115 VanDerWaalsContact O-N 3.13Å; P113-V115 PolarHBondContact O-N 2.98Å | ||
| 116 | W | 91.3 | Very high | 91.2 | Very high | 65 Ų | 65 | 58.1 Ų | 58.1 | 25% | 0.246 | 33% | 0.331 | C | S | . | . | trans | -125 | 162.4 | 178.8 | -68.9 | 94.3 | 0 | 0 | 0 | 110.7 | R65 F69 C105 R107 G114 | R65-W116 HydrophobicContact CG-CH2 3.9Å; R65-W116 HydrophobicContact CG-CZ3 4.38Å; F69-W116 HydrophobicContact CZ-CD2 4.29Å; F69-W116 HydrophobicContact CZ-CZ2 4.28Å; C105-W116 HydrophobicContact CB-CB 4.1Å; C105-W116 HydrophobicContact CB-CD2 4.36Å; C105-W116 HydrophobicContact CB-CE3 3.86Å; C105-W116 HydrophobicContact CB-CG 4.49Å; R107-W116 HydrophobicContact CB-CD2 4.13Å; R107-W116 HydrophobicContact CB-CE3 3.68Å; R107-W116 HydrophobicContact CB-CH2 4.41Å; R107-W116 HydrophobicContact CB-CZ3 3.83Å; G114-W116 VanDerWaalsContact O-CD1 3.28Å | ||
| 117 | S | 93.4 | Very high | 91 | Very high | 8 Ų | 8 | 58.8 Ų | 58.8 | 6% | 0.056 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 171.1 | 173.7 | 68.6 | 0 | 0 | 0 | 0 | 110.8 | Y106 | Y106-S117 VanDerWaalsContact CD1-OG 3.29Å; Y106-S117 WeakPolarHBondContact CD1-OG 3.2Å; Y106-S117 VanDerWaalsContact CE1-CB 3.41Å; Y106-S117 PolarHBondContact N-OG 2.68Å; Y106-S117 WeakPolarHBondContact O-CB 3.44Å; Y106-S117 PolarHBondContact O-N 3.03Å; Y106-S117 PolarHBondContact O-OG 2.8Å |
| 118 | Q | 92.6 | Very high | 90.8 | Very high | 84 Ų | 84 | 58.5 Ų | 58.5 | 39% | 0.393 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 143.7 | 159.6 | -70.8 | -172.9 | -27 | 0 | 0 | 110.3 | S32 H34 K36 P37 | S32-Q118 PolarHBondContact OG-NE2 3.21Å; S32-Q118 PolarHBondContact OG-OE1 3.23Å; S32-Q118 VanDerWaalsContact OG-OE1 3.07Å; H34-Q118 WeakPolarHBondContact O-CG 3.47Å; H34-Q118 PolarHBondContact O-N 2.88Å; K36-Q118 HydrophobicContact CB-CB 4.02Å; P37-Q118 WeakPolarHBondContact CD-O 3.25Å |
| 119 | P | 93.6 | Very high | 90.3 | Very high | 62 Ų | 62 | 61.6 Ų | 61.6 | 40% | 0.403 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 149.7 | 176.8 | 28.6 | -33.9 | 0 | 0 | 0 | 110.9 | K36 R103 | K36-P119 WeakPolarHBondContact CB-O 3.4Å; R103-P119 HydrophobicContact CB-CB 4.38Å |
| 120 | S | 96.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 167.9 | 168.7 | 71 | 0 | 0 | 0 | 0 | 111.8 | P37 R103 C104 | P37-S120 WeakPolarHBondContact O-CA 3.32Å; P37-S120 WeakPolarHBondContact O-CB 3.46Å; R103-S120 PolarHBondContact NH1-O 2.86Å; C104-S120 PolarHBondContact N-OG 3.03Å; C104-S120 PolarHBondContact O-N 2.84Å |
| 121 | D | 95.4 | Very high | 90.2 | Very high | 101 Ų | 101 | 56.7 Ų | 56.7 | 54% | 0.54 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 153 | 160.3 | -59.4 | -41 | 0 | 0 | 0 | 109.9 | K36 L123 | K36-D121 IonicContact NZ-OD1 3.06Å; K36-D121 PolarHBondContact NZ-OD1 3.04Å; K36-D121 IonicContact NZ-OD2 2.83Å; K36-D121 PolarHBondContact NZ-OD2 3.49Å; D121-L123 PolarHBondContact O-N 2.89Å |
| 122 | V | 95.8 | Very high | 90.3 | Very high | 62 Ų | 62 | 56 Ų | 56 | 38% | 0.376 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -70 | 130.9 | -178.2 | -179.3 | 0 | 0 | 0 | 0 | 109.4 | R103 E124 | R103-V122 HydrophobicContact CG-CG2 4.23Å; V122-E124 HydrophobicContact CG1-CG 4.29Å; V122-E124 VanDerWaalsContact CG1-OE1 3.25Å; V122-E124 WeakPolarHBondContact CG1-OE1 3.29Å |
| 123 | L | 97.1 | Very high | 90.8 | Very high | 13 Ų | 13 | 60.1 Ų | 60.1 | 7% | 0.068 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 113.7 | 165.3 | -176.1 | 140.5 | 0 | 0 | 0 | 109 | L39 G40 A41 T45 L55 S101 Y102 D121 L125 | L39-L123 HydrophobicContact CD2-CB 3.71Å; L39-L123 HydrophobicContact CG-CB 3.99Å; L39-L123 HydrophobicContact CG-CD1 4.09Å; G40-L123 VanDerWaalsContact CA-CD1 3.42Å; A41-L123 HydrophobicContact CB-CD1 3.89Å; A41-L123 HydrophobicContact CB-CD2 4.25Å; T45-L123 HydrophobicContact CG2-CD1 4.2Å; T45-L123 HydrophobicContact CG2-CG 4.21Å; L55-L123 HydrophobicContact CD2-CD1 4.47Å; L55-L123 HydrophobicContact CD2-CD2 3.8Å; S101-L123 CarbonylContact C-O 3.4Å; S101-L123 WeakPolarHBondContact CA-O 3.35Å; Y102-L123 PolarHBondContact N-O 3.4Å; Y102-L123 PolarHBondContact O-N 2.71Å; D121-L123 PolarHBondContact O-N 2.89Å; L123-L125 HydrophobicContact CD2-CB 4.17Å |
| 124 | E | 96.9 | Very high | 91.5 | Very high | 89 Ų | 89 | 54.4 Ų | 54.4 | 42% | 0.416 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 114.2 | 171 | -66.5 | -60.8 | 152.4 | 0 | 0 | 109.3 | S101 V122 L126 | S101-E124 WeakPolarHBondContact CB-OE1 3.28Å; S101-E124 PolarHBondContact N-OE2 3.39Å; S101-E124 PolarHBondContact OG-OE1 3.18Å; S101-E124 PolarHBondContact OG-OE2 2.98Å; S101-E124 VanDerWaalsContact OG-OE2 3.09Å; V122-E124 HydrophobicContact CG1-CG 4.29Å; V122-E124 VanDerWaalsContact CG1-OE1 3.25Å; V122-E124 WeakPolarHBondContact CG1-OE1 3.29Å; E124-L126 HydrophobicContact CB-CD1 3.91Å |
| 125 | L | 96.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 107.9 | 172 | -178.5 | 67.2 | 0 | 0 | 0 | 108.9 | T45 V47 V53 L91 G99 G100 Y102 L123 V127 | T45-L125 CarbonylContact O-C 3.55Å; T45-L125 WeakPolarHBondContact O-CA 3.29Å; V47-L125 HydrophobicContact CG2-CD1 4.21Å; V53-L125 HydrophobicContact CG1-CD1 4.12Å; V53-L125 HydrophobicContact CG2-CD1 4.46Å; L91-L125 HydrophobicContact CD1-CD2 3.83Å; G99-L125 CarbonylContact C-O 3.51Å; G99-L125 VanDerWaalsContact CA-O 3.24Å; G99-L125 WeakPolarHBondContact CA-O 3.29Å; G100-L125 PolarHBondContact N-O 3.28Å; G100-L125 PolarHBondContact O-N 3.02Å; Y102-L125 HydrophobicContact CD2-CB 4.06Å; Y102-L125 HydrophobicContact CE2-CB 3.93Å; Y102-L125 HydrophobicContact CE2-CD2 4.07Å; L123-L125 HydrophobicContact CD2-CB 4.17Å; L125-V127 HydrophobicContact CG-CG2 4.34Å |
| 126 | L | 94 | Very high | 92.7 | Very high | 95 Ų | 95 | 52.8 Ų | 52.8 | 50% | 0.497 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 118 | 176.6 | -70 | 82.8 | 0 | 0 | 0 | 109.1 | T45 V46 V47 E124 | T45-L126 PolarHBondContact O-N 3.43Å; V46-L126 WeakPolarHBondContact CA-O 3.4Å; V46-L126 HydrophobicContact CG1-CB 4.32Å; V46-L126 HydrophobicContact CG2-CB 4.24Å; V47-L126 PolarHBondContact N-O 3.42Å; E124-L126 HydrophobicContact CB-CD1 3.91Å |
| 127 | V | 90.6 | Very high | 93 | Very high | 16 Ų | 16 | 52.9 Ų | 52.9 | 10% | 0.097 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 124 | 171.6 | -176 | 0 | 0 | 0 | 0 | 107.6 | V47 P49 V94 P96 L125 | V47-V127 HydrophobicContact CG2-CG2 4.08Å; V47-V127 WeakPolarHBondContact O-CA 3.48Å; P49-V127 HydrophobicContact CB-CG1 4.49Å; P49-V127 HydrophobicContact CG-CG1 3.87Å; V94-V127 HydrophobicContact CB-CG2 4.46Å; V94-V127 HydrophobicContact CG2-CG1 4.29Å; V94-V127 HydrophobicContact CG2-CG2 4.09Å; P96-V127 HydrophobicContact CG-CG1 4.44Å; L125-V127 HydrophobicContact CG-CG2 4.34Å |
| 128 | T | 86.4 | Confident | 93.1 | Very high | 50 Ų | 50 | 53.1 Ų | 53.1 | 31% | 0.307 | 28% | 0.279 | S | S | . | . | trans | -66.3 | 146.8 | -178.7 | 61.4 | 0 | 0 | 0 | 0 | 111.2 | V47 P49 E130 | V47-T128 PolarHBondContact O-N 2.88Å; P49-T128 VanDerWaalsContact CD-O 3.23Å; P49-T128 WeakPolarHBondContact CD-O 3.27Å; P49-T128 WeakPolarHBondContact CD-OG1 3.37Å; P49-T128 WeakPolarHBondContact CG-O 3.41Å; T128-E130 PolarHBondContact O-N 3.21Å | ||
| 129 | E | 80.1 | Confident | 93.2 | Very high | 120 Ų | 120 | 52.2 Ų | 52.2 | 56% | 0.561 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -74.5 | -12.3 | 175.6 | -65.3 | -65.1 | 160.3 | 0 | 0 | 113 | L131 V209 | E129-L131 PolarHBondContact O-N 3.03Å; E129-V209 WeakPolarHBondContact O-CG1 3.33Å |
| 130 | E | 82.4 | Confident | 92.9 | Very high | 108 Ų | 108 | 55.5 Ų | 55.5 | 51% | 0.505 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -80.7 | 117.7 | 179.2 | -170.5 | 169 | -164.5 | 0 | 0 | 111.4 | P49 T128 Q212 | P49-E130 WeakPolarHBondContact CD-O 3.42Å; T128-E130 PolarHBondContact O-N 3.21Å; E130-Q212 WeakPolarHBondContact OE1-CG 3.39Å; E130-Q212 PolarHBondContact OE1-NE2 2.79Å |
| 131 | L | 88.7 | Confident | 92.7 | Very high | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.016 | 31% | 0.306 | C | S | . | . | B | Isolated β-bridge | trans | -75.5 | 142.1 | 175.6 | -60 | 177.4 | 0 | 0 | 0 | 110.7 | P49 E129 L158 Y201 T203 V209 | P49-L131 HydrophobicContact CB-CD2 4.07Å; P49-L131 HydrophobicContact CG-CD2 4.16Å; E129-L131 PolarHBondContact O-N 3.03Å; L131-L158 HydrophobicContact CD2-CD1 3.86Å; L131-Y201 HydrophobicContact CB-CE2 4.15Å; L131-Y201 HydrophobicContact CD1-CD2 4.17Å; L131-Y201 HydrophobicContact CD1-CE2 3.98Å; L131-T203 HydrophobicContact CD1-CG2 4.16Å; L131-T203 HydrophobicContact CD2-CG2 4.39Å; L131-V209 HydrophobicContact CD1-CG1 4.25Å; L131-V209 WeakPolarHBondContact CD1-O 3.45Å; L131-V209 HydrophobicContact CD2-CG1 4.28Å; L131-V209 HydrophobicContact CG-CG1 4.01Å |
| 132 | P | 89.7 | Confident | 92.5 | Very high | 20 Ų | 20 | 54.5 Ų | 54.5 | 13% | 0.13 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -53.2 | 143.3 | 176.8 | -25.9 | 32 | 0 | 0 | 0 | 113.3 | P49 R157 Y201 S211 | P49-P132 VanDerWaalsContact O-CG 3.28Å; P49-P132 WeakPolarHBondContact O-CG 3.35Å; P132-R157 HydrophobicContact CB-CG 4.37Å; P132-Y201 WeakPolarHBondContact CD-OH 3.45Å; P132-Y201 WeakPolarHBondContact O-CE1 3.44Å; P132-Y201 VanDerWaalsContact O-CZ 3.3Å; P132-Y201 PolarHBondContact O-OH 2.8Å; P132-S211 WeakPolarHBondContact O-CB 3.44Å |
| 133 | R | 94.1 | Very high | 92.2 | Very high | 124 Ų | 124 | 55.2 Ų | 55.2 | 47% | 0.468 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -63 | 131.9 | 175.4 | -174.4 | -177.8 | -72.2 | -137.9 | -6.5 | 110.6 | Q212 R213 E215 | R133-Q212 HydrophobicContact CG-CB 4.47Å; R133-R213 WeakPolarHBondContact CG-O 3.28Å; R133-E215 IonicContact CZ-OE1 3.81Å; R133-E215 IonicContact NH1-OE1 3.03Å; R133-E215 PolarHBondContact NH1-OE1 3Å |
| 134 | P | 96.5 | Very high | 91.7 | Very high | 6 Ų | 6 | 55 Ų | 55 | 4% | 0.039 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -79.9 | 165.1 | 174.5 | 31.5 | -31.8 | 0 | 0 | 0 | 112.3 | A155 Y201 S211 Q212 S214 | P134-A155 CarbonylContact C-O 3.54Å; P134-A155 VanDerWaalsContact CA-O 3.29Å; P134-A155 WeakPolarHBondContact CA-O 3.49Å; P134-A155 WeakPolarHBondContact CB-O 3.41Å; P134-Y201 HydrophobicContact CB-CD1 3.74Å; P134-Y201 HydrophobicContact CB-CE1 3.81Å; P134-Y201 HydrophobicContact CG-CD1 3.82Å; P134-Y201 HydrophobicContact CG-CE1 4.06Å; P134-S211 WeakPolarHBondContact CD-OG 3.41Å; P134-Q212 WeakPolarHBondContact CD-O 3.45Å; P134-S214 WeakPolarHBondContact O-CA 3.43Å; P134-S214 VanDerWaalsContact O-CB 3.3Å; P134-S214 WeakPolarHBondContact O-CB 3.13Å |
| 135 | S | 97.2 | Very high | 91.1 | Very high | 64 Ų | 64 | 51.6 Ų | 51.6 | 45% | 0.448 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 145 | 169.3 | 59.8 | 0 | 0 | 0 | 0 | 110.4 | C154 A155 | S135-C154 CarbonylContact O-C 3.54Å; S135-C154 WeakPolarHBondContact O-CA 3.45Å; S135-A155 PolarHBondContact N-O 2.81Å; S135-A155 PolarHBondContact O-N 2.89Å; S135-A155 PolarHBondContact OG-O 2.74Å |
| 136 | L | 98.1 | Very high | 90.4 | Very high | 18 Ų | 18 | 57.1 Ų | 57.1 | 9% | 0.094 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 125.1 | 176.5 | -175.9 | 63.2 | 0 | 0 | 0 | 109.2 | L152 R153 C154 L165 C199 L217 | L136-L152 HydrophobicContact CD1-CB 4.05Å; L136-R153 WeakPolarHBondContact CA-O 3.15Å; L136-C154 HydrophobicContact CD1-CB 4.08Å; L136-L165 HydrophobicContact CD1-CD1 4.22Å; L136-L165 HydrophobicContact CD2-CD1 4.23Å; L136-C199 HydrophobicContact CD1-CB 4.25Å; L136-L217 HydrophobicContact CD2-CB 3.95Å; L136-L217 HydrophobicContact CD2-CD2 4.33Å; L136-L217 HydrophobicContact CG-CB 4.2Å; L136-L217 HydrophobicContact CG-CD2 3.91Å |
| 137 | V | 97.3 | Very high | 89.8 | Confident | 66 Ų | 66 | 55.1 Ų | 55.1 | 40% | 0.4 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 151.4 | -180 | -60 | 0 | 0 | 0 | 0 | 111 | L152 R153 | V137-L152 CarbonylContact O-C 3.53Å; V137-L152 WeakPolarHBondContact O-CA 3.03Å; V137-R153 HydrophobicContact CG2-CB 3.86Å; V137-R153 HydrophobicContact CG2-CG 4.47Å; V137-R153 PolarHBondContact N-O 2.98Å; V137-R153 PolarHBondContact O-N 3.13Å |
| 138 | A | 95.5 | Very high | 89.6 | Confident | 13 Ų | 13 | 56.3 Ų | 56.3 | 11% | 0.107 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 138.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | P140 G141 V150 L152 L217 I219 | A138-P140 CarbonylContact O-C 3.53Å; A138-G141 VanDerWaalsContact CB-C 3.49Å; A138-G141 VanDerWaalsContact CB-O 3.28Å; A138-G141 WeakPolarHBondContact CB-O 2.99Å; A138-G141 PolarHBondContact O-N 3.41Å; A138-V150 HydrophobicContact CB-CG2 4.07Å; A138-L152 HydrophobicContact CB-CD2 3.66Å; A138-L217 HydrophobicContact CB-CD2 3.96Å; A138-I219 HydrophobicContact CB-CD1 3.65Å |
| 139 | L | 94.4 | Very high | 89.8 | Confident | 65 Ų | 65 | 58.5 Ų | 58.5 | 34% | 0.34 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 122.8 | 179.2 | -60 | 170.8 | 0 | 0 | 0 | 108.5 | S151 R153 | L139-S151 PolarHBondContact N-O 2.97Å; L139-S151 PolarHBondContact O-N 3.27Å; L139-S151 VanDerWaalsContact O-N 3.13Å; L139-R153 HydrophobicContact CD1-CB 4.01Å |
| 140 | P | 88.9 | Confident | 90.3 | Very high | 132 Ų | 132 | 52.9 Ų | 52.9 | 86% | 0.857 | 33% | 0.326 | S | S | * | . | S | Bend | cis | -77.8 | -16.5 | 4 | 32.3 | -35.8 | 0 | 0 | 0 | 114.6 | A138 | A138-P140 CarbonylContact O-C 3.53Š|
| 141 | G | 91.3 | Very high | 90.9 | Very high | 16 Ų | 16 | 49 Ų | 49 | 17% | 0.165 | 31% | 0.311 | C | S | . | . | trans | -173.7 | 176.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A138 V143 | A138-G141 VanDerWaalsContact CB-C 3.49Å; A138-G141 VanDerWaalsContact CB-O 3.28Å; A138-G141 WeakPolarHBondContact CB-O 2.99Å; A138-G141 PolarHBondContact O-N 3.41Å; G141-V143 VanDerWaalsContact C-N 3.32Å | ||
| 142 | P | 91.1 | Very high | 91.3 | Very high | 63 Ų | 63 | 48.8 Ų | 48.8 | 41% | 0.409 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -80 | -11 | -175.8 | 31.5 | -34.9 | 0 | 0 | 0 | 114.1 | L217 V218 I219 S220 | P142-L217 HydrophobicContact CB-CD1 4.42Å; P142-V218 WeakPolarHBondContact CB-O 3.5Å; P142-I219 HydrophobicContact CB-CD1 4.22Å; P142-I219 VanDerWaalsContact O-CA 3.26Å; P142-I219 WeakPolarHBondContact O-CA 3.43Å; P142-S220 PolarHBondContact O-N 3.11Å |
| 143 | V | 90.1 | Very high | 91.7 | Very high | 78 Ų | 78 | 51.8 Ų | 51.8 | 47% | 0.473 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 125.8 | 177.7 | -175.3 | 0 | 0 | 0 | 0 | 108.2 | G141 S220 E222 | G141-V143 VanDerWaalsContact C-N 3.32Å; V143-S220 WeakPolarHBondContact CA-O 3.34Å; V143-E222 VanDerWaalsContact CG1-CA 3.43Å; V143-E222 HydrophobicContact CG1-CB 3.8Å; V143-E222 HydrophobicContact CG1-CG 4.23Å |
| 144 | V | 87 | Confident | 91.9 | Very high | 8 Ų | 8 | 45.9 Ų | 45.9 | 5% | 0.048 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 136.8 | -174.4 | -63.6 | 0 | 0 | 0 | 0 | 111.2 | V150 I219 S220 W221 E222 | V144-V150 HydrophobicContact CG1-CB 3.76Å; V144-V150 HydrophobicContact CG1-CG1 4.22Å; V144-V150 HydrophobicContact CG1-CG2 4.06Å; V144-I219 HydrophobicContact CG1-CG2 4.05Å; V144-I219 HydrophobicContact CG2-CG2 3.9Å; V144-S220 WeakPolarHBondContact CG2-O 3.17Å; V144-S220 PolarHBondContact N-O 2.83Å; V144-W221 HydrophobicContact CG2-CE3 3.98Å; V144-W221 HydrophobicContact CG2-CZ3 4.03Å; V144-W221 CarbonylContact O-C 3.5Å; V144-W221 WeakPolarHBondContact O-CA 2.98Å; V144-W221 VanDerWaalsContact O-CE3 3.32Å; V144-E222 PolarHBondContact O-N 2.78Å |
| 145 | G | 83.3 | Confident | 91.9 | Very high | 18 Ų | 18 | 46.7 Ų | 46.7 | 19% | 0.186 | 30% | 0.304 | C | S | . | . | trans | -70.6 | 156.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112 | G147 A148 W221 | G145-G147 PolarHBondContact O-N 3Å; G145-A148 VanDerWaalsContact O-CB 3.27Å; G145-A148 WeakPolarHBondContact O-CB 3.46Å; G145-A148 PolarHBondContact O-N 3.08Å; G145-W221 WeakPolarHBondContact O-CZ3 3.32Å | ||
| 146 | P | 81.3 | Confident | 91.7 | Very high | 116 Ų | 116 | 44.5 Ų | 44.5 | 75% | 0.753 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | 122.4 | 178.6 | -27.2 | 34.6 | 0 | 0 | 0 | 113.1 | A148 W221 | P146-A148 PolarHBondContact O-N 3.07Å; P146-W221 VanDerWaalsContact CA-CZ3 3.44Å |
| 147 | G | 81.2 | Confident | 91.2 | Very high | 53 Ų | 53 | 51.4 Ų | 51.4 | 55% | 0.546 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | -0.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | G145 | G145-G147 PolarHBondContact O-N 3Š|
| 148 | A | 86 | Confident | 90.8 | Very high | 42 Ų | 42 | 48.5 Ų | 48.5 | 35% | 0.347 | 30% | 0.298 | S | S | . | . | trans | -73.7 | 137.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | G145 P146 G190 | G145-A148 VanDerWaalsContact O-CB 3.27Å; G145-A148 WeakPolarHBondContact O-CB 3.46Å; G145-A148 PolarHBondContact O-N 3.08Å; P146-A148 PolarHBondContact O-N 3.07Å; A148-G190 WeakPolarHBondContact O-CA 3.41Å | ||
| 149 | N | 90.6 | Very high | 90.6 | Very high | 95 Ų | 95 | 55.1 Ų | 55.1 | 51% | 0.508 | 32% | 0.32 | S | S | . | . | trans | -78.6 | 144.9 | 174.4 | -66.6 | -17.7 | 0 | 0 | 0 | 110.6 | L188 L189 G190 | N149-L188 WeakPolarHBondContact CA-O 3.09Å; N149-L189 WeakPolarHBondContact OD1-CA 3.22Å; N149-G190 PolarHBondContact OD1-N 2.7Å; N149-G190 VanDerWaalsContact OD1-N 3.14Å | ||
| 150 | V | 92.3 | Very high | 90.4 | Very high | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.012 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 140.7 | 175.5 | 63.7 | 0 | 0 | 0 | 0 | 109.9 | A138 V144 L152 L188 A193 | A138-V150 HydrophobicContact CB-CG2 4.07Å; V144-V150 HydrophobicContact CG1-CB 3.76Å; V144-V150 HydrophobicContact CG1-CG1 4.22Å; V144-V150 HydrophobicContact CG1-CG2 4.06Å; V150-L152 HydrophobicContact CG2-CD2 4.23Å; V150-L188 HydrophobicContact CG1-CB 3.81Å; V150-L188 HydrophobicContact CG1-CD1 4.07Å; V150-L188 HydrophobicContact CG1-CG 4.36Å; V150-L188 PolarHBondContact N-O 2.99Å; V150-L188 PolarHBondContact O-N 3.49Å; V150-A193 HydrophobicContact CG1-CB 3.73Å |
| 151 | S | 95.3 | Very high | 90.6 | Very high | 26 Ų | 26 | 50.6 Ų | 50.6 | 18% | 0.182 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 124 | 173.5 | -172.3 | 0 | 0 | 0 | 0 | 109.4 | L139 F186 | L139-S151 PolarHBondContact N-O 2.97Å; L139-S151 PolarHBondContact O-N 3.27Å; L139-S151 VanDerWaalsContact O-N 3.13Å; S151-F186 CarbonylContact C-O 3.4Å; S151-F186 WeakPolarHBondContact CA-O 3.49Å |
| 152 | L | 96.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 118.8 | 172.3 | -56.7 | -169.6 | 0 | 0 | 0 | 109.2 | L136 V137 A138 V150 L165 D185 F186 L188 Y197 L217 I219 | L136-L152 HydrophobicContact CD1-CB 4.05Å; V137-L152 CarbonylContact O-C 3.53Å; V137-L152 WeakPolarHBondContact O-CA 3.03Å; A138-L152 HydrophobicContact CB-CD2 3.66Å; V150-L152 HydrophobicContact CG2-CD2 4.23Å; L152-L165 HydrophobicContact CD1-CD1 4.02Å; L152-L165 HydrophobicContact CD1-CD2 4.16Å; L152-D185 CarbonylContact O-C 3.56Å; L152-D185 WeakPolarHBondContact O-CA 3.41Å; L152-F186 HydrophobicContact CB-CB 4.49Å; L152-F186 PolarHBondContact N-O 2.82Å; L152-F186 PolarHBondContact O-N 2.82Å; L152-L188 HydrophobicContact CD1-CD1 3.63Å; L152-L188 HydrophobicContact CD1-CG 4.43Å; L152-L188 HydrophobicContact CG-CD1 3.89Å; L152-L188 HydrophobicContact CG-CG 4.39Å; L152-Y197 HydrophobicContact CD1-CD1 3.85Å; L152-Y197 HydrophobicContact CD1-CD2 4.05Å; L152-Y197 HydrophobicContact CD1-CE1 4.46Å; L152-Y197 HydrophobicContact CD1-CG 3.61Å; L152-L217 HydrophobicContact CD2-CD2 4.01Å; L152-I219 HydrophobicContact CD2-CD1 3.83Å; L152-I219 HydrophobicContact CD2-CG1 4.26Å |
| 153 | R | 97.9 | Very high | 91 | Very high | 82 Ų | 82 | 46.9 Ų | 46.9 | 31% | 0.309 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 115 | 175.4 | 176.9 | 170.7 | -68.4 | 168 | 1.6 | 109.6 | L136 V137 L139 W183 D185 | L136-R153 WeakPolarHBondContact CA-O 3.15Å; V137-R153 HydrophobicContact CG2-CB 3.86Å; V137-R153 HydrophobicContact CG2-CG 4.47Å; V137-R153 PolarHBondContact N-O 2.98Å; V137-R153 PolarHBondContact O-N 3.13Å; L139-R153 HydrophobicContact CD1-CB 4.01Å; R153-W183 HydrophobicContact CG-CB 4.08Å; R153-W183 HydrophobicContact CG-CG 4.3Å; R153-D185 VanDerWaalsContact CB-OD1 3.29Å; R153-D185 WeakPolarHBondContact CB-OD1 3.5Å; R153-D185 VanDerWaalsContact CG-OD1 3.25Å; R153-D185 WeakPolarHBondContact CG-OD1 3.32Å; R153-D185 IonicContact CZ-OD1 2.68Å; R153-D185 IonicContact CZ-OD2 3.78Å; R153-D185 IonicContact NE-OD1 3.39Å; R153-D185 PolarHBondContact NE-OD1 2.8Å; R153-D185 IonicContact NE-OD2 2.81Å; R153-D185 IonicContact NH2-OD1 3.47Å; R153-D185 PolarHBondContact NH2-OD1 2.83Å; R153-D185 IonicContact NH2-OD2 3.67Å; R153-D185 PolarHBondContact NH2-OD2 3.32Å |
| 154 | C | 97.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 118.8 | 167.8 | -173 | 0 | 0 | 0 | 0 | 108.7 | S135 L136 F163 W183 A184 F186 C199 | S135-C154 CarbonylContact O-C 3.54Å; S135-C154 WeakPolarHBondContact O-CA 3.45Å; L136-C154 HydrophobicContact CD1-CB 4.08Å; C154-F163 HydrophobicContact CB-CD1 4.05Å; C154-W183 CarbonylContact O-C 3.46Å; C154-W183 WeakPolarHBondContact O-CA 3.44Å; C154-W183 VanDerWaalsContact O-CB 3.29Å; C154-W183 WeakPolarHBondContact O-CB 3.36Å; C154-A184 PolarHBondContact N-O 2.81Å; C154-A184 PolarHBondContact O-N 2.89Å; C154-F186 HydrophobicContact CB-CD2 4.47Å; C154-F186 HydrophobicContact CB-CE2 3.91Å; C154-C199 HydrophobicContact CB-CB 3.66Å; C154-C199 WeakPolarHBondContact CB-SG 3.47Å; C154-C199 WeakPolarHBondContact SG-CB 3.34Å; C154-C199 CovalentContact SG-SG 2.03Å; C154-C199 PolarHBondContact SG-SG 2.83Å |
| 155 | A | 96.7 | Very high | 91.8 | Very high | 24 Ų | 24 | 42.9 Ų | 42.9 | 20% | 0.198 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 124.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | P134 S135 W183 | P134-A155 CarbonylContact C-O 3.54Å; P134-A155 VanDerWaalsContact CA-O 3.29Å; P134-A155 WeakPolarHBondContact CA-O 3.49Å; P134-A155 WeakPolarHBondContact CB-O 3.41Å; S135-A155 PolarHBondContact N-O 2.81Å; S135-A155 PolarHBondContact O-N 2.89Å; S135-A155 PolarHBondContact OG-O 2.74Å; A155-W183 HydrophobicContact CB-CB 3.81Å |
| 156 | G | 92.6 | Very high | 92.4 | Very high | 18 Ų | 18 | 43.7 Ų | 43.7 | 19% | 0.186 | 24% | 0.236 | C | C | . | . | trans | -107.7 | -170 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | P182 | G156-P182 CarbonylContact C-O 3.57Å; G156-P182 PolarHBondContact N-O 2.87Å | ||
| 157 | R | 87.4 | Confident | 93 | Very high | 163 Ų | 163 | 41.6 Ų | 41.6 | 62% | 0.615 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -95 | -24.1 | 175.5 | -67.2 | -171.6 | 178.2 | -159.6 | -1.2 | 113.9 | P132 | P132-R157 HydrophobicContact CB-CG 4.37Š|
| 158 | L | 89.4 | Confident | 93.6 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -104.2 | 141.2 | -169.6 | -69 | 166.8 | 0 | 0 | 0 | 111.1 | P49 E93 L131 M161 P182 Y201 | P49-L158 HydrophobicContact CB-CD1 3.83Å; E93-L158 HydrophobicContact CB-CD2 4.2Å; L131-L158 HydrophobicContact CD2-CD1 3.86Å; L158-M161 HydrophobicContact CB-CE 3.44Å; L158-M161 VanDerWaalsContact CB-CE 3.44Å; L158-M161 HydrophobicContact CB-CG 3.92Å; L158-M161 HydrophobicContact CB-SD 4.46Å; L158-M161 HydrophobicContact CD1-CE 3.69Å; L158-M161 HydrophobicContact CG-CE 4.1Å; L158-M161 WeakPolarHBondContact O-CG 3.25Å; L158-P182 WeakPolarHBondContact O-CA 3.42Å; L158-Y201 HydrophobicContact CD1-CE2 4.44Å |
| 159 | R | 90.6 | Very high | 93.8 | Very high | 152 Ų | 152 | 47.4 Ų | 47.4 | 57% | 0.574 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -81.1 | 165.2 | 174.7 | -63 | 177.5 | -165.1 | -137.6 | 0.4 | 111.8 | E93 M161 A180 P182 | E93-R159 IonicContact OE1-CZ 3.76Å; E93-R159 IonicContact OE1-NE 2.74Å; E93-R159 PolarHBondContact OE1-NE 2.81Å; E93-R159 IonicContact OE1-NH2 3.65Å; E93-R159 IonicContact OE2-NE 2.68Å; R159-M161 PolarHBondContact O-N 2.91Å; R159-A180 WeakPolarHBondContact CB-O 3.49Å; R159-P182 HydrophobicContact CG-CB 4.43Å; R159-P182 HydrophobicContact CG-CG 4.48Å |
| 160 | N | 91.1 | Very high | 93.8 | Very high | 91 Ų | 91 | 46 Ų | 46 | 49% | 0.487 | 24% | 0.236 | S | C | . | . | S | Bend | trans | 56 | 49 | 174.1 | -154.5 | 45.2 | 0 | 0 | 0 | 112.7 | H178 S179 A180 P204 | N160-H178 PolarHBondContact OD1-CE1 2.82Å; N160-H178 PolarHBondContact OD1-NE2 3.14Å; N160-S179 CarbonylContact C-O 3.48Å; N160-S179 WeakPolarHBondContact CA-O 3.1Å; N160-S179 PolarHBondContact N-O 3.18Å; N160-A180 PolarHBondContact N-O 2.81Å; N160-P204 WeakPolarHBondContact O-CD 3.13Å; N160-P204 WeakPolarHBondContact O-CG 3.29Å |
| 161 | M | 92.4 | Very high | 93.6 | Very high | 12 Ų | 12 | 50.9 Ų | 50.9 | 6% | 0.059 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 156 | -175.6 | -68.4 | -61.7 | 166.7 | 0 | 0 | 111.3 | L158 R159 F163 S179 Y201 T203 | L158-M161 HydrophobicContact CB-CE 3.44Å; L158-M161 VanDerWaalsContact CB-CE 3.44Å; L158-M161 HydrophobicContact CB-CG 3.92Å; L158-M161 HydrophobicContact CB-SD 4.46Å; L158-M161 HydrophobicContact CD1-CE 3.69Å; L158-M161 HydrophobicContact CG-CE 4.1Å; L158-M161 WeakPolarHBondContact O-CG 3.25Å; R159-M161 PolarHBondContact O-N 2.91Å; M161-F163 HydrophobicContact CB-CD2 4.42Å; M161-F163 HydrophobicContact CB-CE2 3.8Å; M161-F163 HydrophobicContact CB-CZ 4.13Å; M161-F163 WeakPolarHBondContact O-CD2 3.38Å; M161-S179 PolarHBondContact N-O 2.03Å; M161-S179 PolarHBondContact O-N 3.46Å; M161-Y201 HydrophobicContact CB-CD2 3.95Å; M161-Y201 HydrophobicContact CG-CD2 3.81Å; M161-Y201 HydrophobicContact CG-CE2 4.17Å; M161-Y201 HydrophobicContact SD-CD2 4.19Å; M161-Y201 HydrophobicContact SD-CE2 4.49Å; M161-T203 HydrophobicContact CE-CG2 4.16Å; M161-T203 HydrophobicContact SD-CG2 4.11Å |
| 162 | S | 95.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 117.5 | 173.2 | -70.1 | 0 | 0 | 0 | 0 | 110 | Y176 Y201 H202 | S162-Y176 VanDerWaalsContact CB-OH 3.26Å; S162-Y176 WeakPolarHBondContact CB-OH 3.45Å; S162-Y176 PolarHBondContact OG-OH 3.37Å; S162-Y201 CarbonylContact O-C 3.58Å; S162-Y201 WeakPolarHBondContact O-CA 3.34Å; S162-Y201 WeakPolarHBondContact O-CB 3.36Å; S162-H202 WeakPolarHBondContact CB-CE1 3.35Å; S162-H202 WeakPolarHBondContact CB-NE2 3.23Å; S162-H202 PolarHBondContact N-O 2.8Å; S162-H202 PolarHBondContact O-N 2.92Å |
| 163 | F | 97 | Very high | 93.2 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 141.3 | -178.6 | -65.6 | -94.9 | 0 | 0 | 0 | 110.7 | C154 M161 R177 A184 F186 Y201 | C154-F163 HydrophobicContact CB-CD1 4.05Å; M161-F163 HydrophobicContact CB-CD2 4.42Å; M161-F163 HydrophobicContact CB-CE2 3.8Å; M161-F163 HydrophobicContact CB-CZ 4.13Å; M161-F163 WeakPolarHBondContact O-CD2 3.38Å; F163-R177 PolarHBondContact N-O 3.44Å; F163-R177 PolarHBondContact O-N 3.01Å; F163-A184 HydrophobicContact CB-CB 3.67Å; F163-A184 HydrophobicContact CD1-CB 4.48Å; F163-A184 HydrophobicContact CD2-CB 3.64Å; F163-A184 HydrophobicContact CE2-CB 4.43Å; F163-A184 HydrophobicContact CG-CB 3.68Å; F163-F186 HydrophobicContact CB-CE2 4.12Å; F163-F186 HydrophobicContact CB-CZ 3.74Å; F163-Y201 HydrophobicContact CD1-CG 4.38Å; F163-Y201 HydrophobicContact CE1-CD1 4.24Å; F163-Y201 HydrophobicContact CE1-CG 4.09Å |
| 164 | V | 96.1 | Very high | 93 | Very high | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.018 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 126.1 | -177.3 | -164 | 0 | 0 | 0 | 0 | 109.8 | Y166 P173 Y176 C199 Y200 | V164-Y166 HydrophobicContact CB-CE2 4.2Å; V164-Y166 HydrophobicContact CG1-CD2 4.02Å; V164-Y166 HydrophobicContact CG1-CE2 3.46Å; V164-Y166 VanDerWaalsContact CG1-CE2 3.46Å; V164-P173 HydrophobicContact CG1-CB 3.57Å; V164-P173 HydrophobicContact CG1-CG 3.92Å; V164-Y176 HydrophobicContact CG2-CD2 3.9Å; V164-Y176 HydrophobicContact CG2-CE2 4.37Å; V164-C199 WeakPolarHBondContact O-CA 3.4Å; V164-C199 WeakPolarHBondContact O-CB 3.2Å; V164-Y200 HydrophobicContact CB-CD2 4.4Å; V164-Y200 HydrophobicContact CB-CE1 4.26Å; V164-Y200 HydrophobicContact CB-CE2 3.98Å; V164-Y200 HydrophobicContact CG2-CD2 4.25Å; V164-Y200 HydrophobicContact CG2-CE2 3.62Å; V164-Y200 PolarHBondContact N-O 2.78Å; V164-Y200 PolarHBondContact O-N 2.95Å; V164-Y200 VanDerWaalsContact O-N 3.16Å |
| 165 | L | 97 | Very high | 92.9 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 129.5 | 176.8 | -175.7 | 71.2 | 0 | 0 | 0 | 110.3 | L136 L152 L174 Q175 F186 L188 Y197 C199 | L136-L165 HydrophobicContact CD1-CD1 4.22Å; L136-L165 HydrophobicContact CD2-CD1 4.23Å; L152-L165 HydrophobicContact CD1-CD1 4.02Å; L152-L165 HydrophobicContact CD1-CD2 4.16Å; L165-L174 HydrophobicContact CD2-CD2 4.19Å; L165-L174 WeakPolarHBondContact O-CB 3.36Å; L165-L174 PolarHBondContact O-N 2.87Å; L165-Q175 HydrophobicContact CB-CB 4.44Å; L165-Q175 PolarHBondContact N-O 3.36Å; L165-F186 HydrophobicContact CB-CD1 4.06Å; L165-F186 HydrophobicContact CB-CD2 4.05Å; L165-F186 HydrophobicContact CB-CE1 4.15Å; L165-F186 HydrophobicContact CB-CE2 4.15Å; L165-F186 HydrophobicContact CB-CG 3.99Å; L165-F186 HydrophobicContact CB-CZ 4.19Å; L165-F186 HydrophobicContact CD1-CD2 4.47Å; L165-F186 HydrophobicContact CD2-CB 3.74Å; L165-F186 HydrophobicContact CD2-CD2 4.46Å; L165-F186 HydrophobicContact CD2-CG 4.04Å; L165-F186 HydrophobicContact CG-CG 4.5Å; L165-L188 HydrophobicContact CD2-CD2 4.18Å; L165-Y197 HydrophobicContact CD1-CD1 4.36Å; L165-Y197 HydrophobicContact CD2-CD1 4.26Å; L165-Y197 HydrophobicContact CG-CD1 4.34Å; L165-C199 HydrophobicContact CD1-CB 4.46Å |
| 166 | Y | 95.5 | Very high | 92.9 | Very high | 34 Ų | 34 | 62.3 Ų | 62.3 | 13% | 0.133 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 148.3 | 174.2 | -82 | -96.1 | 0 | 0 | 0 | 111.4 | V164 P173 Y197 S198 Y200 | V164-Y166 HydrophobicContact CB-CE2 4.2Å; V164-Y166 HydrophobicContact CG1-CD2 4.02Å; V164-Y166 HydrophobicContact CG1-CE2 3.46Å; V164-Y166 VanDerWaalsContact CG1-CE2 3.46Å; Y166-P173 HydrophobicContact CE1-CG 4.23Å; Y166-P173 HydrophobicContact CE2-CB 4.31Å; Y166-P173 HydrophobicContact CE2-CG 4.13Å; Y166-P173 WeakPolarHBondContact OH-CG 3.35Å; Y166-Y197 VanDerWaalsContact O-CA 3.29Å; Y166-Y197 WeakPolarHBondContact O-CA 3.45Å; Y166-S198 PolarHBondContact N-O 2.74Å; Y166-S198 PolarHBondContact O-N 3.05Å; Y166-Y200 HydrophobicContact CD2-CD1 4.17Å; Y166-Y200 AromaticContact CD2-CE1 3.84Å; Y166-Y200 HydrophobicContact CD2-CE1 3.84Å; Y166-Y200 AromaticContact CE2-CD1 3.93Å; Y166-Y200 HydrophobicContact CE2-CD1 3.93Å; Y166-Y200 AromaticContact CE2-CE1 3.15Å; Y166-Y200 HydrophobicContact CE2-CE1 3.15Å; Y166-Y200 AromaticContact CE2-CZ 3.83Å; Y166-Y200 AromaticContact CZ-CE1 3.9Å; Y166-Y200 PolarHBondContact OH-OH 2.83Å |
| 167 | R | 94.3 | Very high | 93 | Very high | 72 Ų | 72 | 65.8 Ų | 65.8 | 27% | 0.272 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 135.9 | 168.9 | -176.7 | -175.5 | 174.5 | 142 | 8.6 | 108.7 | V170 L174 R192 P194 T196 Y197 | R167-V170 HydrophobicContact CB-CB 4.48Å; R167-V170 HydrophobicContact CB-CG2 4.16Å; R167-V170 HydrophobicContact CG-CG2 4.34Å; R167-V170 PolarHBondContact O-N 3.16Å; R167-L174 HydrophobicContact CB-CD2 4.5Å; R167-R192 PolarHBondContact NH1-O 2.58Å; R167-P194 PolarHBondContact NH2-O 2.91Å; R167-T196 WeakPolarHBondContact CA-O 3.37Å; R167-Y197 HydrophobicContact CB-CD1 4.1Å; R167-Y197 HydrophobicContact CB-CE1 3.92Å; R167-Y197 HydrophobicContact CG-CD1 4.39Å; R167-Y197 HydrophobicContact CG-CE1 3.97Å; R167-Y197 PolarHBondContact NH1-OH 2.89Å |
| 168 | E | 93.2 | Very high | 93.4 | Very high | 132 Ų | 132 | 62.5 Ų | 62.5 | 62% | 0.617 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 140.8 | 173.5 | -170.6 | 173.3 | -158.6 | 0 | 0 | 111.2 | V170 T196 | E168-V170 VanDerWaalsContact C-N 3.25Å; E168-V170 PolarHBondContact O-N 2.84Å; E168-T196 HydrophobicContact CB-CG2 4.45Å; E168-T196 PolarHBondContact N-O 2.8Å; E168-T196 WeakPolarHBondContact OE2-CB 3.19Å; E168-T196 WeakPolarHBondContact OE2-CG2 3.48Å; E168-T196 PolarHBondContact OE2-OG1 2.9Å |
| 169 | G | 89.9 | Confident | 93.7 | Very high | 85 Ų | 85 | 62.8 Ų | 62.8 | 88% | 0.876 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | -2.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 170 | V | 91.9 | Very high | 93.9 | Very high | 65 Ų | 65 | 58.2 Ų | 58.2 | 39% | 0.394 | 34% | 0.335 | S | S | . | . | trans | -113.1 | 120.5 | 174.6 | -172.6 | 0 | 0 | 0 | 0 | 109.6 | R167 E168 A172 | R167-V170 HydrophobicContact CB-CB 4.48Å; R167-V170 HydrophobicContact CB-CG2 4.16Å; R167-V170 HydrophobicContact CG-CG2 4.34Å; R167-V170 PolarHBondContact O-N 3.16Å; E168-V170 VanDerWaalsContact C-N 3.25Å; E168-V170 PolarHBondContact O-N 2.84Å; V170-A172 WeakPolarHBondContact CG1-O 3.49Å | ||
| 171 | A | 87.9 | Confident | 94.1 | Very high | 105 Ų | 105 | 58.7 Ų | 58.7 | 87% | 0.868 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -69.1 | -37.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 172 | A | 91.9 | Very high | 94.2 | Very high | 57 Ų | 57 | 59.4 Ų | 59.4 | 47% | 0.471 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -87.8 | 153.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V170 L174 | V170-A172 WeakPolarHBondContact CG1-O 3.49Å; A172-L174 PolarHBondContact O-N 2.93Å |
| 173 | P | 92.4 | Very high | 94.3 | Very high | 64 Ų | 64 | 64.3 Ų | 64.3 | 42% | 0.416 | 36% | 0.359 | S | S | . | . | trans | -50.2 | 137.1 | 166.6 | -24.9 | 31.6 | 0 | 0 | 0 | 112.1 | V164 Y166 | V164-P173 HydrophobicContact CG1-CB 3.57Å; V164-P173 HydrophobicContact CG1-CG 3.92Å; Y166-P173 HydrophobicContact CE1-CG 4.23Å; Y166-P173 HydrophobicContact CE2-CB 4.31Å; Y166-P173 HydrophobicContact CE2-CG 4.13Å; Y166-P173 WeakPolarHBondContact OH-CG 3.35Å | ||
| 174 | L | 93.6 | Very high | 94.3 | Very high | 71 Ų | 71 | 64.4 Ų | 64.4 | 37% | 0.372 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -78 | -43.9 | 174.9 | -172.3 | 67.2 | 0 | 0 | 0 | 111.1 | L165 R167 A172 L188 Y197 | L165-L174 HydrophobicContact CD2-CD2 4.19Å; L165-L174 WeakPolarHBondContact O-CB 3.36Å; L165-L174 PolarHBondContact O-N 2.87Å; R167-L174 HydrophobicContact CB-CD2 4.5Å; A172-L174 PolarHBondContact O-N 2.93Å; L174-L188 HydrophobicContact CD2-CD2 3.73Å; L174-Y197 HydrophobicContact CD2-CD1 4.47Å; L174-Y197 HydrophobicContact CD2-CE1 3.78Å |
| 175 | Q | 95.3 | Very high | 94.4 | Very high | 48 Ų | 48 | 66.4 Ų | 66.4 | 22% | 0.224 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 149.2 | 178.5 | -64.1 | -175.1 | 34.9 | 0 | 0 | 110.1 | L165 F186 T187 | L165-Q175 HydrophobicContact CB-CB 4.44Å; L165-Q175 PolarHBondContact N-O 3.36Å; Q175-F186 HydrophobicContact CB-CD1 3.52Å; Q175-F186 HydrophobicContact CB-CE1 3.89Å; Q175-F186 HydrophobicContact CG-CD1 4.44Å; Q175-T187 PolarHBondContact NE2-O 3.41Å |
| 176 | Y | 95.4 | Very high | 94.3 | Very high | 132 Ų | 132 | 66.4 Ų | 66.4 | 52% | 0.518 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 137.5 | 174.5 | 173.6 | -86.4 | 0 | 0 | 0 | 108.9 | S162 V164 H202 | S162-Y176 VanDerWaalsContact CB-OH 3.26Å; S162-Y176 WeakPolarHBondContact CB-OH 3.45Å; S162-Y176 PolarHBondContact OG-OH 3.37Å; V164-Y176 HydrophobicContact CG2-CD2 3.9Å; V164-Y176 HydrophobicContact CG2-CE2 4.37Å; Y176-H202 AromaticContact CE2-NE2 3.52Å |
| 177 | R | 96.6 | Very high | 94.3 | Very high | 92 Ų | 92 | 68.1 Ų | 68.1 | 35% | 0.347 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 121.9 | 179.5 | -159.9 | 108.4 | 79.2 | -166.6 | 23.3 | 110.5 | F163 A184 D185 F186 | F163-R177 PolarHBondContact N-O 3.44Å; F163-R177 PolarHBondContact O-N 3.01Å; R177-A184 HydrophobicContact CB-CB 4.01Å; R177-A184 HydrophobicContact CG-CB 4.17Å; R177-D185 PolarHBondContact NE-O 2.94Å; R177-D185 VanDerWaalsContact NH2-C 3.34Å; R177-D185 PolarHBondContact NH2-O 2.82Å; R177-F186 HydrophobicContact CB-CD1 4.44Å; R177-F186 HydrophobicContact CB-CE1 3.64Å; R177-F186 HydrophobicContact CB-CZ 4Å |
| 178 | H | 95.3 | Very high | 94.2 | Very high | 93 Ų | 93 | 65.1 Ų | 65.1 | 43% | 0.431 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 136 | 164.8 | 178.1 | -97.6 | 0 | 0 | 0 | 109.4 | N160 | N160-H178 PolarHBondContact OD1-CE1 2.82Å; N160-H178 PolarHBondContact OD1-NE2 3.14Å |
| 179 | S | 95.8 | Very high | 93.9 | Very high | 10 Ų | 10 | 64.9 Ų | 64.9 | 7% | 0.07 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 131.7 | 179.9 | -172.6 | 0 | 0 | 0 | 0 | 111.2 | N160 M161 Q181 W183 | N160-S179 CarbonylContact C-O 3.48Å; N160-S179 WeakPolarHBondContact CA-O 3.1Å; N160-S179 PolarHBondContact N-O 3.18Å; M161-S179 PolarHBondContact N-O 2.03Å; M161-S179 PolarHBondContact O-N 3.46Å; S179-Q181 VanDerWaalsContact C-N 3.26Å; S179-Q181 PolarHBondContact OG-N 3.39Å; S179-Q181 PolarHBondContact OG-O 2.68Å; S179-Q181 PolarHBondContact OG-OE1 2.84Å; S179-W183 WeakPolarHBondContact CB-O 3.13Å; S179-W183 PolarHBondContact OG-O 2.79Å |
| 180 | A | 94 | Very high | 93.1 | Very high | 56 Ų | 56 | 61 Ų | 61 | 46% | 0.463 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -71.5 | -27 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | R159 N160 | R159-A180 WeakPolarHBondContact CB-O 3.49Å; N160-A180 PolarHBondContact N-O 2.81Å |
| 181 | Q | 95.6 | Very high | 92.1 | Very high | 101 Ų | 101 | 61.9 Ų | 61.9 | 47% | 0.472 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -76 | 158.9 | 174.2 | -64.7 | 78.1 | 33.8 | 0 | 0 | 110.4 | S179 W183 | S179-Q181 VanDerWaalsContact C-N 3.26Å; S179-Q181 PolarHBondContact OG-N 3.39Å; S179-Q181 PolarHBondContact OG-O 2.68Å; S179-Q181 PolarHBondContact OG-OE1 2.84Å; Q181-W183 HydrophobicContact CB-CD2 4.03Å; Q181-W183 HydrophobicContact CB-CE3 4.3Å; Q181-W183 HydrophobicContact CB-CH2 4.33Å; Q181-W183 HydrophobicContact CB-CZ2 4.08Å; Q181-W183 HydrophobicContact CB-CZ3 4.44Å; Q181-W183 HydrophobicContact CG-CH2 4.42Å; Q181-W183 HydrophobicContact CG-CZ2 4.07Å; Q181-W183 PolarHBondContact O-N 3.38Å |
| 182 | P | 93.8 | Very high | 91.5 | Very high | 28 Ų | 28 | 66.7 Ų | 66.7 | 18% | 0.182 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -73.9 | 18.9 | 175.4 | 29.4 | -29.8 | 0 | 0 | 0 | 113.3 | G156 L158 R159 | G156-P182 CarbonylContact C-O 3.57Å; G156-P182 PolarHBondContact N-O 2.87Å; L158-P182 WeakPolarHBondContact O-CA 3.42Å; R159-P182 HydrophobicContact CG-CB 4.43Å; R159-P182 HydrophobicContact CG-CG 4.48Å |
| 183 | W | 97 | Very high | 91.1 | Very high | 102 Ų | 102 | 64 Ų | 64 | 39% | 0.386 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 160.8 | 174 | 63.6 | 87.1 | 0 | 0 | 0 | 111 | R153 C154 A155 S179 Q181 | R153-W183 HydrophobicContact CG-CB 4.08Å; R153-W183 HydrophobicContact CG-CG 4.3Å; C154-W183 CarbonylContact O-C 3.46Å; C154-W183 WeakPolarHBondContact O-CA 3.44Å; C154-W183 VanDerWaalsContact O-CB 3.29Å; C154-W183 WeakPolarHBondContact O-CB 3.36Å; A155-W183 HydrophobicContact CB-CB 3.81Å; S179-W183 WeakPolarHBondContact CB-O 3.13Å; S179-W183 PolarHBondContact OG-O 2.79Å; Q181-W183 HydrophobicContact CB-CD2 4.03Å; Q181-W183 HydrophobicContact CB-CE3 4.3Å; Q181-W183 HydrophobicContact CB-CH2 4.33Å; Q181-W183 HydrophobicContact CB-CZ2 4.08Å; Q181-W183 HydrophobicContact CB-CZ3 4.44Å; Q181-W183 HydrophobicContact CG-CH2 4.42Å; Q181-W183 HydrophobicContact CG-CZ2 4.07Å; Q181-W183 PolarHBondContact O-N 3.38Å |
| 184 | A | 97.8 | Very high | 91 | Very high | 3 Ų | 3 | 62.1 Ų | 62.1 | 3% | 0.025 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 135.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | C154 F163 R177 F186 | C154-A184 PolarHBondContact N-O 2.81Å; C154-A184 PolarHBondContact O-N 2.89Å; F163-A184 HydrophobicContact CB-CB 3.67Å; F163-A184 HydrophobicContact CD1-CB 4.48Å; F163-A184 HydrophobicContact CD2-CB 3.64Å; F163-A184 HydrophobicContact CE2-CB 4.43Å; F163-A184 HydrophobicContact CG-CB 3.68Å; R177-A184 HydrophobicContact CB-CB 4.01Å; R177-A184 HydrophobicContact CG-CB 4.17Å; A184-F186 HydrophobicContact CB-CE2 4.11Å; A184-F186 HydrophobicContact CB-CZ 4.16Å |
| 185 | D | 97.6 | Very high | 90.9 | Very high | 45 Ų | 45 | 59.7 Ų | 59.7 | 24% | 0.241 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 151.3 | 171.2 | -67.5 | -5.7 | 0 | 0 | 0 | 108.5 | L152 R153 R177 | L152-D185 CarbonylContact O-C 3.56Å; L152-D185 WeakPolarHBondContact O-CA 3.41Å; R153-D185 VanDerWaalsContact CB-OD1 3.29Å; R153-D185 WeakPolarHBondContact CB-OD1 3.5Å; R153-D185 VanDerWaalsContact CG-OD1 3.25Å; R153-D185 WeakPolarHBondContact CG-OD1 3.32Å; R153-D185 IonicContact CZ-OD1 2.68Å; R153-D185 IonicContact CZ-OD2 3.78Å; R153-D185 IonicContact NE-OD1 3.39Å; R153-D185 PolarHBondContact NE-OD1 2.8Å; R153-D185 IonicContact NE-OD2 2.81Å; R153-D185 IonicContact NH2-OD1 3.47Å; R153-D185 PolarHBondContact NH2-OD1 2.83Å; R153-D185 IonicContact NH2-OD2 3.67Å; R153-D185 PolarHBondContact NH2-OD2 3.32Å; R177-D185 PolarHBondContact NE-O 2.94Å; R177-D185 VanDerWaalsContact NH2-C 3.34Å; R177-D185 PolarHBondContact NH2-O 2.82Å |
| 186 | F | 96.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 116.9 | 176.9 | -63.6 | -81.4 | 0 | 0 | 0 | 109.3 | S151 L152 C154 F163 L165 Q175 R177 A184 | S151-F186 CarbonylContact C-O 3.4Å; S151-F186 WeakPolarHBondContact CA-O 3.49Å; L152-F186 HydrophobicContact CB-CB 4.49Å; L152-F186 PolarHBondContact N-O 2.82Å; L152-F186 PolarHBondContact O-N 2.82Å; C154-F186 HydrophobicContact CB-CD2 4.47Å; C154-F186 HydrophobicContact CB-CE2 3.91Å; F163-F186 HydrophobicContact CB-CE2 4.12Å; F163-F186 HydrophobicContact CB-CZ 3.74Å; L165-F186 HydrophobicContact CB-CD1 4.06Å; L165-F186 HydrophobicContact CB-CD2 4.05Å; L165-F186 HydrophobicContact CB-CE1 4.15Å; L165-F186 HydrophobicContact CB-CE2 4.15Å; L165-F186 HydrophobicContact CB-CG 3.99Å; L165-F186 HydrophobicContact CB-CZ 4.19Å; L165-F186 HydrophobicContact CD1-CD2 4.47Å; L165-F186 HydrophobicContact CD2-CB 3.74Å; L165-F186 HydrophobicContact CD2-CD2 4.46Å; L165-F186 HydrophobicContact CD2-CG 4.04Å; L165-F186 HydrophobicContact CG-CG 4.5Å; Q175-F186 HydrophobicContact CB-CD1 3.52Å; Q175-F186 HydrophobicContact CB-CE1 3.89Å; Q175-F186 HydrophobicContact CG-CD1 4.44Å; R177-F186 HydrophobicContact CB-CD1 4.44Å; R177-F186 HydrophobicContact CB-CE1 3.64Å; R177-F186 HydrophobicContact CB-CZ 4Å; A184-F186 HydrophobicContact CB-CE2 4.11Å; A184-F186 HydrophobicContact CB-CZ 4.16Å |
| 187 | T | 94.5 | Very high | 90.9 | Very high | 69 Ų | 69 | 52.7 Ų | 52.7 | 42% | 0.423 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 125.2 | -175.7 | -44.1 | 0 | 0 | 0 | 0 | 109.9 | Q175 | Q175-T187 PolarHBondContact NE2-O 3.41Å |
| 188 | L | 91.8 | Very high | 91 | Very high | 10 Ų | 10 | 48.5 Ų | 48.5 | 5% | 0.052 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 132.2 | 172.5 | -57.7 | 179.1 | 0 | 0 | 0 | 109.5 | N149 V150 L152 L165 L174 A193 Y197 | N149-L188 WeakPolarHBondContact CA-O 3.09Å; V150-L188 HydrophobicContact CG1-CB 3.81Å; V150-L188 HydrophobicContact CG1-CD1 4.07Å; V150-L188 HydrophobicContact CG1-CG 4.36Å; V150-L188 PolarHBondContact N-O 2.99Å; V150-L188 PolarHBondContact O-N 3.49Å; L152-L188 HydrophobicContact CD1-CD1 3.63Å; L152-L188 HydrophobicContact CD1-CG 4.43Å; L152-L188 HydrophobicContact CG-CD1 3.89Å; L152-L188 HydrophobicContact CG-CG 4.39Å; L165-L188 HydrophobicContact CD2-CD2 4.18Å; L174-L188 HydrophobicContact CD2-CD2 3.73Å; L188-A193 HydrophobicContact CB-CB 4.1Å; L188-Y197 HydrophobicContact CD1-CD1 4.3Å; L188-Y197 HydrophobicContact CD1-CE1 3.66Å; L188-Y197 HydrophobicContact CD1-CE2 4.01Å; L188-Y197 HydrophobicContact CD2-CE1 4.25Å |
| 189 | L | 87.3 | Confident | 91 | Very high | 127 Ų | 127 | 44.1 Ų | 44.1 | 67% | 0.665 | 24% | 0.242 | S | C | * | . | trans | -83.4 | 128.8 | 178.5 | -57.9 | 177.3 | 0 | 0 | 0 | 109.8 | N149 A191 R192 | N149-L189 WeakPolarHBondContact OD1-CA 3.22Å; L189-A191 PolarHBondContact O-N 2.94Å; L189-A191 VanDerWaalsContact O-N 3.07Å; L189-R192 PolarHBondContact O-N 2.84Å; L189-R192 VanDerWaalsContact O-N 3.08Å | ||
| 190 | G | 73.8 | Confident | 91 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -48.6 | -44.8 | -155.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | A148 N149 R192 A193 W221 | A148-G190 WeakPolarHBondContact O-CA 3.41Å; N149-G190 PolarHBondContact OD1-N 2.7Å; N149-G190 VanDerWaalsContact OD1-N 3.14Å; G190-R192 PolarHBondContact O-N 2.78Å; G190-A193 WeakPolarHBondContact O-CB 3.31Å; G190-A193 PolarHBondContact O-N 2.92Å; G190-A193 VanDerWaalsContact O-N 3.11Å; G190-W221 VanDerWaalsContact O-CH2 3.26Å; G190-W221 WeakPolarHBondContact O-CH2 2.96Å |
| 191 | A | 70.1 | Confident | 91 | Very high | 84 Ų | 84 | 43 Ų | 43 | 69% | 0.694 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -60.8 | -19.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | L189 | L189-A191 PolarHBondContact O-N 2.94Å; L189-A191 VanDerWaalsContact O-N 3.07Å |
| 192 | R | 75.6 | Confident | 90.8 | Very high | 206 Ų | 206 | 39 Ų | 39 | 78% | 0.777 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -117.6 | 6.5 | -179.1 | -59.6 | -178.7 | -172.7 | 172.1 | 2.2 | 113 | R167 L189 G190 Y197 | R167-R192 PolarHBondContact NH1-O 2.58Å; L189-R192 PolarHBondContact O-N 2.84Å; L189-R192 VanDerWaalsContact O-N 3.08Å; G190-R192 PolarHBondContact O-N 2.78Å; R192-Y197 PolarHBondContact O-OH 3.41Å |
| 193 | A | 83.1 | Confident | 90.5 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -68.5 | -33.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | V150 L188 G190 Y197 I219 | V150-A193 HydrophobicContact CG1-CB 3.73Å; L188-A193 HydrophobicContact CB-CB 4.1Å; G190-A193 WeakPolarHBondContact O-CB 3.31Å; G190-A193 PolarHBondContact O-N 2.92Å; G190-A193 VanDerWaalsContact O-N 3.11Å; A193-Y197 WeakPolarHBondContact O-CE2 3.3Å; A193-Y197 PolarHBondContact O-OH 2.97Å; A193-I219 WeakPolarHBondContact O-CB 3.34Å; A193-I219 WeakPolarHBondContact O-CG2 3.33Å | ||
| 194 | P | 90 | Very high | 90 | Very high | 25 Ų | 25 | 36.6 Ų | 36.6 | 16% | 0.162 | 20% | 0.203 | C | C | . | . | trans | -65.8 | 139.8 | 178.5 | -18.7 | 28.1 | 0 | 0 | 0 | 112.3 | R167 I219 W221 | R167-P194 PolarHBondContact NH2-O 2.91Å; P194-I219 VanDerWaalsContact CA-O 3.26Å; P194-I219 WeakPolarHBondContact CA-O 3.36Å; P194-W221 HydrophobicContact CG-CD2 3.83Å; P194-W221 HydrophobicContact CG-CE3 4.45Å; P194-W221 HydrophobicContact CG-CG 4.25Å; P194-W221 HydrophobicContact CG-CH2 4.1Å; P194-W221 HydrophobicContact CG-CZ2 3.45Å; P194-W221 VanDerWaalsContact CG-CZ2 3.45Å | ||
| 195 | G | 92.3 | Very high | 89.1 | Confident | 19 Ų | 19 | 42 Ų | 42 | 20% | 0.196 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 150.2 | 178.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y197 I219 | G195-Y197 VanDerWaalsContact O-CD2 3.28Å; G195-Y197 WeakPolarHBondContact O-CD2 3.46Å; G195-Y197 WeakPolarHBondContact O-CE2 3.41Å; G195-I219 PolarHBondContact N-O 3.34Å; G195-I219 PolarHBondContact O-N 3.09Å |
| 196 | T | 95.6 | Very high | 88.2 | Confident | 33 Ų | 33 | 40.4 Ų | 40.4 | 20% | 0.202 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 127 | 175.3 | -43.4 | 0 | 0 | 0 | 0 | 109.8 | R167 E168 V216 V218 | R167-T196 WeakPolarHBondContact CA-O 3.37Å; E168-T196 HydrophobicContact CB-CG2 4.45Å; E168-T196 PolarHBondContact N-O 2.8Å; E168-T196 WeakPolarHBondContact OE2-CB 3.19Å; E168-T196 WeakPolarHBondContact OE2-CG2 3.48Å; E168-T196 PolarHBondContact OE2-OG1 2.9Å; T196-V216 HydrophobicContact CG2-CB 3.81Å; T196-V216 HydrophobicContact CG2-CG1 4.18Å; T196-V218 HydrophobicContact CG2-CG2 4.24Å |
| 197 | Y | 96.3 | Very high | 87.4 | Confident | 1 Ų | 1 | 44 Ų | 44 | 0% | 0.004 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 154.2 | -177.4 | -63.3 | -92 | 0 | 0 | 0 | 111.3 | L152 L165 Y166 R167 L174 L188 R192 A193 G195 V216 L217 I219 | L152-Y197 HydrophobicContact CD1-CD1 3.85Å; L152-Y197 HydrophobicContact CD1-CD2 4.05Å; L152-Y197 HydrophobicContact CD1-CE1 4.46Å; L152-Y197 HydrophobicContact CD1-CG 3.61Å; L165-Y197 HydrophobicContact CD1-CD1 4.36Å; L165-Y197 HydrophobicContact CD2-CD1 4.26Å; L165-Y197 HydrophobicContact CG-CD1 4.34Å; Y166-Y197 VanDerWaalsContact O-CA 3.29Å; Y166-Y197 WeakPolarHBondContact O-CA 3.45Å; R167-Y197 HydrophobicContact CB-CD1 4.1Å; R167-Y197 HydrophobicContact CB-CE1 3.92Å; R167-Y197 HydrophobicContact CG-CD1 4.39Å; R167-Y197 HydrophobicContact CG-CE1 3.97Å; R167-Y197 PolarHBondContact NH1-OH 2.89Å; L174-Y197 HydrophobicContact CD2-CD1 4.47Å; L174-Y197 HydrophobicContact CD2-CE1 3.78Å; L188-Y197 HydrophobicContact CD1-CD1 4.3Å; L188-Y197 HydrophobicContact CD1-CE1 3.66Å; L188-Y197 HydrophobicContact CD1-CE2 4.01Å; L188-Y197 HydrophobicContact CD2-CE1 4.25Å; R192-Y197 PolarHBondContact O-OH 3.41Å; A193-Y197 WeakPolarHBondContact O-CE2 3.3Å; A193-Y197 PolarHBondContact O-OH 2.97Å; G195-Y197 VanDerWaalsContact O-CD2 3.28Å; G195-Y197 WeakPolarHBondContact O-CD2 3.46Å; G195-Y197 WeakPolarHBondContact O-CE2 3.41Å; Y197-V216 WeakPolarHBondContact O-CA 3.24Å; Y197-L217 PolarHBondContact N-O 2.93Å; Y197-L217 PolarHBondContact O-N 3.25Å; Y197-I219 HydrophobicContact CD2-CG1 3.85Å; Y197-I219 HydrophobicContact CE2-CB 4.27Å; Y197-I219 HydrophobicContact CE2-CG1 3.93Å |
| 198 | S | 97.1 | Very high | 86.7 | Confident | 4 Ų | 4 | 49.7 Ų | 49.7 | 3% | 0.028 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 156.5 | 174 | 55.4 | 0 | 0 | 0 | 0 | 108.8 | Y166 R213 | Y166-S198 PolarHBondContact N-O 2.74Å; Y166-S198 PolarHBondContact O-N 3.05Å; S198-R213 VanDerWaalsContact CB-CG 3.48Å; S198-R213 WeakPolarHBondContact OG-CD 3.43Å; S198-R213 PolarHBondContact OG-NE 3.46Å; S198-R213 PolarHBondContact OG-NH1 2.89Å |
| 199 | C | 96.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 157.3 | 178.2 | 70.7 | 0 | 0 | 0 | 0 | 112 | L136 C154 V164 L165 R213 S214 | L136-C199 HydrophobicContact CD1-CB 4.25Å; C154-C199 HydrophobicContact CB-CB 3.66Å; C154-C199 WeakPolarHBondContact CB-SG 3.47Å; C154-C199 WeakPolarHBondContact SG-CB 3.34Å; C154-C199 CovalentContact SG-SG 2.03Å; C154-C199 PolarHBondContact SG-SG 2.83Å; V164-C199 WeakPolarHBondContact O-CA 3.4Å; V164-C199 WeakPolarHBondContact O-CB 3.2Å; L165-C199 HydrophobicContact CD1-CB 4.46Å; C199-R213 CarbonylContact O-C 3.48Å; C199-R213 WeakPolarHBondContact O-CA 3.4Å; C199-S214 PolarHBondContact N-OG 3.44Å; C199-S214 PolarHBondContact O-N 3.45Å |
| 200 | Y | 95.3 | Very high | 86.4 | Confident | 43 Ų | 43 | 47.7 Ų | 47.7 | 17% | 0.169 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 170.8 | 163.6 | 68.9 | -103.7 | 0 | 0 | 0 | 108.9 | V164 Y166 L210 S211 | V164-Y200 HydrophobicContact CB-CD2 4.4Å; V164-Y200 HydrophobicContact CB-CE1 4.26Å; V164-Y200 HydrophobicContact CB-CE2 3.98Å; V164-Y200 HydrophobicContact CG2-CD2 4.25Å; V164-Y200 HydrophobicContact CG2-CE2 3.62Å; V164-Y200 PolarHBondContact N-O 2.78Å; V164-Y200 PolarHBondContact O-N 2.95Å; V164-Y200 VanDerWaalsContact O-N 3.16Å; Y166-Y200 HydrophobicContact CD2-CD1 4.17Å; Y166-Y200 AromaticContact CD2-CE1 3.84Å; Y166-Y200 HydrophobicContact CD2-CE1 3.84Å; Y166-Y200 AromaticContact CE2-CD1 3.93Å; Y166-Y200 HydrophobicContact CE2-CD1 3.93Å; Y166-Y200 AromaticContact CE2-CE1 3.15Å; Y166-Y200 HydrophobicContact CE2-CE1 3.15Å; Y166-Y200 AromaticContact CE2-CZ 3.83Å; Y166-Y200 AromaticContact CZ-CE1 3.9Å; Y166-Y200 PolarHBondContact OH-OH 2.83Å; Y200-L210 HydrophobicContact CD2-CD2 4.44Å; Y200-L210 HydrophobicContact CE2-CD2 4.01Å; Y200-S211 WeakPolarHBondContact CB-OG 3.4Å |
| 201 | Y | 94.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 161.9 | 170.6 | 67.8 | -83.1 | 0 | 0 | 0 | 111.4 | L131 P132 P134 L158 M161 S162 F163 S211 | L131-Y201 HydrophobicContact CB-CE2 4.15Å; L131-Y201 HydrophobicContact CD1-CD2 4.17Å; L131-Y201 HydrophobicContact CD1-CE2 3.98Å; P132-Y201 WeakPolarHBondContact CD-OH 3.45Å; P132-Y201 WeakPolarHBondContact O-CE1 3.44Å; P132-Y201 VanDerWaalsContact O-CZ 3.3Å; P132-Y201 PolarHBondContact O-OH 2.8Å; P134-Y201 HydrophobicContact CB-CD1 3.74Å; P134-Y201 HydrophobicContact CB-CE1 3.81Å; P134-Y201 HydrophobicContact CG-CD1 3.82Å; P134-Y201 HydrophobicContact CG-CE1 4.06Å; L158-Y201 HydrophobicContact CD1-CE2 4.44Å; M161-Y201 HydrophobicContact CB-CD2 3.95Å; M161-Y201 HydrophobicContact CG-CD2 3.81Å; M161-Y201 HydrophobicContact CG-CE2 4.17Å; M161-Y201 HydrophobicContact SD-CD2 4.19Å; M161-Y201 HydrophobicContact SD-CE2 4.49Å; S162-Y201 CarbonylContact O-C 3.58Å; S162-Y201 WeakPolarHBondContact O-CA 3.34Å; S162-Y201 WeakPolarHBondContact O-CB 3.36Å; F163-Y201 HydrophobicContact CD1-CG 4.38Å; F163-Y201 HydrophobicContact CE1-CD1 4.24Å; F163-Y201 HydrophobicContact CE1-CG 4.09Å; Y201-S211 WeakPolarHBondContact CD1-OG 3.15Å; Y201-S211 PolarHBondContact N-OG 3.2Å; Y201-S211 PolarHBondContact O-N 3.3Å; Y201-S211 PolarHBondContact O-OG 2.76Å |
| 202 | H | 91.3 | Very high | 88.5 | Confident | 18 Ų | 18 | 48 Ų | 48 | 8% | 0.083 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 163.8 | 179.7 | 68.4 | 85.8 | 0 | 0 | 0 | 111.2 | S162 Y176 V209 L210 | S162-H202 WeakPolarHBondContact CB-CE1 3.35Å; S162-H202 WeakPolarHBondContact CB-NE2 3.23Å; S162-H202 PolarHBondContact N-O 2.8Å; S162-H202 PolarHBondContact O-N 2.92Å; Y176-H202 AromaticContact CE2-NE2 3.52Å; H202-V209 WeakPolarHBondContact CA-O 3.25Å; H202-V209 WeakPolarHBondContact CB-O 3.4Å; H202-L210 HydrophobicContact CB-CD2 3.54Å |
| 203 | T | 87.1 | Confident | 89.3 | Confident | 18 Ų | 18 | 43.5 Ų | 43.5 | 11% | 0.11 | 23% | 0.232 | C | C | . | . | trans | -73.5 | 140 | 175.9 | 75.9 | 0 | 0 | 0 | 0 | 110.4 | L131 M161 S205 A206 V209 | L131-T203 HydrophobicContact CD1-CG2 4.16Å; L131-T203 HydrophobicContact CD2-CG2 4.39Å; M161-T203 HydrophobicContact CE-CG2 4.16Å; M161-T203 HydrophobicContact SD-CG2 4.11Å; T203-S205 VanDerWaalsContact C-N 3.34Å; T203-A206 CarbonylContact O-C 3.56Å; T203-A206 VanDerWaalsContact OG1-C 3.31Å; T203-A206 WeakPolarHBondContact OG1-CA 3.48Å; T203-A206 WeakPolarHBondContact OG1-CB 3.24Å; T203-A206 PolarHBondContact OG1-N 2.88Å; T203-A206 VanDerWaalsContact OG1-N 3.08Å; T203-A206 PolarHBondContact OG1-O 3.26Å; T203-V209 HydrophobicContact CG2-CB 4.48Å; T203-V209 HydrophobicContact CG2-CG1 4.39Å; T203-V209 PolarHBondContact N-O 3.14Å | ||
| 204 | P | 85.1 | Confident | 90 | Very high | 61 Ų | 61 | 43.8 Ų | 43.8 | 40% | 0.396 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -66.9 | -33.4 | 177.6 | -23.3 | 34.1 | 0 | 0 | 0 | 113.5 | N160 | N160-P204 WeakPolarHBondContact O-CD 3.13Å; N160-P204 WeakPolarHBondContact O-CG 3.29Å |
| 205 | S | 79.9 | Confident | 90.3 | Very high | 115 Ų | 115 | 48.8 Ų | 48.8 | 80% | 0.804 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -79.2 | -27.2 | -178.7 | 50.5 | 0 | 0 | 0 | 0 | 113.6 | T203 | T203-S205 VanDerWaalsContact C-N 3.34Š|
| 206 | A | 78.8 | Confident | 90.5 | Very high | 13 Ų | 13 | 52.6 Ų | 52.6 | 11% | 0.107 | 28% | 0.275 | C | S | . | . | trans | -135.5 | 83.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | T203 Y208 V209 | T203-A206 CarbonylContact O-C 3.56Å; T203-A206 VanDerWaalsContact OG1-C 3.31Å; T203-A206 WeakPolarHBondContact OG1-CA 3.48Å; T203-A206 WeakPolarHBondContact OG1-CB 3.24Å; T203-A206 PolarHBondContact OG1-N 2.88Å; T203-A206 VanDerWaalsContact OG1-N 3.08Å; T203-A206 PolarHBondContact OG1-O 3.26Å; A206-Y208 HydrophobicContact CB-CD1 4.4Å; A206-Y208 HydrophobicContact CB-CE1 3.8Å; A206-Y208 HydrophobicContact CB-CE2 3.93Å; A206-Y208 PolarHBondContact O-N 3.03Å; A206-V209 HydrophobicContact CB-CB 4.43Å; A206-V209 HydrophobicContact CB-CG2 3.92Å; A206-V209 PolarHBondContact O-N 2.66Å | ||
| 207 | P | 78.5 | Confident | 90.6 | Very high | 76 Ų | 76 | 52.4 Ų | 52.4 | 49% | 0.494 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -4.9 | -175.1 | 27.5 | -34.8 | 0 | 0 | 0 | 114.2 | L210 | P207-L210 WeakPolarHBondContact O-CD2 3.26Š|
| 208 | Y | 81.1 | Confident | 90.5 | Very high | 187 Ų | 187 | 56.3 Ų | 56.3 | 73% | 0.733 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -14 | 171.4 | 51.5 | -93.9 | 0 | 0 | 0 | 113 | A206 L210 | A206-Y208 HydrophobicContact CB-CD1 4.4Å; A206-Y208 HydrophobicContact CB-CE1 3.8Å; A206-Y208 HydrophobicContact CB-CE2 3.93Å; A206-Y208 PolarHBondContact O-N 3.03Å; Y208-L210 PolarHBondContact O-N 3.16Å |
| 209 | V | 83.8 | Confident | 90.4 | Very high | 15 Ų | 15 | 56.3 Ų | 56.3 | 9% | 0.091 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -89.1 | 99 | 173.5 | -177.8 | 0 | 0 | 0 | 0 | 108.1 | E129 L131 H202 T203 A206 | E129-V209 WeakPolarHBondContact O-CG1 3.33Å; L131-V209 HydrophobicContact CD1-CG1 4.25Å; L131-V209 WeakPolarHBondContact CD1-O 3.45Å; L131-V209 HydrophobicContact CD2-CG1 4.28Å; L131-V209 HydrophobicContact CG-CG1 4.01Å; H202-V209 WeakPolarHBondContact CA-O 3.25Å; H202-V209 WeakPolarHBondContact CB-O 3.4Å; T203-V209 HydrophobicContact CG2-CB 4.48Å; T203-V209 HydrophobicContact CG2-CG1 4.39Å; T203-V209 PolarHBondContact N-O 3.14Å; A206-V209 HydrophobicContact CB-CB 4.43Å; A206-V209 HydrophobicContact CB-CG2 3.92Å; A206-V209 PolarHBondContact O-N 2.66Å |
| 210 | L | 89.4 | Confident | 90.1 | Very high | 80 Ų | 80 | 58.8 Ų | 58.8 | 42% | 0.419 | 31% | 0.313 | S | S | . | . | B | Isolated β-bridge | trans | -113.7 | 147.6 | -169.4 | -52.2 | 169.3 | 0 | 0 | 0 | 110.9 | Y200 H202 P207 Y208 | Y200-L210 HydrophobicContact CD2-CD2 4.44Å; Y200-L210 HydrophobicContact CE2-CD2 4.01Å; H202-L210 HydrophobicContact CB-CD2 3.54Å; P207-L210 WeakPolarHBondContact O-CD2 3.26Å; Y208-L210 PolarHBondContact O-N 3.16Å |
| 211 | S | 93.4 | Very high | 89.7 | Confident | 10 Ų | 10 | 61.4 Ų | 61.4 | 7% | 0.07 | 32% | 0.323 | C | S | . | . | B | Isolated β-bridge | trans | -74 | 158.7 | 163.1 | 78.3 | 0 | 0 | 0 | 0 | 110.7 | P132 P134 Y200 Y201 | P132-S211 WeakPolarHBondContact O-CB 3.44Å; P134-S211 WeakPolarHBondContact CD-OG 3.41Å; Y200-S211 WeakPolarHBondContact CB-OG 3.4Å; Y201-S211 WeakPolarHBondContact CD1-OG 3.15Å; Y201-S211 PolarHBondContact N-OG 3.2Å; Y201-S211 PolarHBondContact O-N 3.3Å; Y201-S211 PolarHBondContact O-OG 2.76Å |
| 212 | Q | 92.6 | Very high | 89.1 | Confident | 85 Ų | 85 | 67.4 Ų | 67.4 | 40% | 0.397 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 158.3 | 159.1 | -64.3 | -169.7 | -0 | 0 | 0 | 110.5 | E130 R133 P134 | E130-Q212 WeakPolarHBondContact OE1-CG 3.39Å; E130-Q212 PolarHBondContact OE1-NE2 2.79Å; R133-Q212 HydrophobicContact CG-CB 4.47Å; P134-Q212 WeakPolarHBondContact CD-O 3.45Å |
| 213 | R | 94.3 | Very high | 88 | Confident | 110 Ų | 110 | 73.8 Ų | 73.8 | 42% | 0.415 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 143.5 | 174 | -175.1 | 176.2 | -80 | -142.7 | 9.2 | 110 | R133 S198 C199 | R133-R213 WeakPolarHBondContact CG-O 3.28Å; S198-R213 VanDerWaalsContact CB-CG 3.48Å; S198-R213 WeakPolarHBondContact OG-CD 3.43Å; S198-R213 PolarHBondContact OG-NE 3.46Å; S198-R213 PolarHBondContact OG-NH1 2.89Å; C199-R213 CarbonylContact O-C 3.48Å; C199-R213 WeakPolarHBondContact O-CA 3.4Å |
| 214 | S | 97.4 | Very high | 86.5 | Confident | 6 Ų | 6 | 77.5 Ų | 77.5 | 4% | 0.042 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 166.3 | 173.5 | 71.2 | 0 | 0 | 0 | 0 | 111.6 | P134 C199 | P134-S214 WeakPolarHBondContact O-CA 3.43Å; P134-S214 VanDerWaalsContact O-CB 3.3Å; P134-S214 WeakPolarHBondContact O-CB 3.13Å; C199-S214 PolarHBondContact N-OG 3.44Å; C199-S214 PolarHBondContact O-N 3.45Å |
| 215 | E | 96.3 | Very high | 85.2 | Confident | 130 Ų | 130 | 78.4 Ų | 78.4 | 61% | 0.607 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -54.9 | 148.6 | 159.9 | -63.3 | -52.1 | 134.5 | 0 | 0 | 110.6 | R133 | R133-E215 IonicContact CZ-OE1 3.81Å; R133-E215 IonicContact NH1-OE1 3.03Å; R133-E215 PolarHBondContact NH1-OE1 3Å |
| 216 | V | 96.6 | Very high | 84.1 | Confident | 99 Ų | 99 | 76.1 Ų | 76.1 | 60% | 0.6 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -72.7 | 137.2 | -179.9 | -65.6 | 0 | 0 | 0 | 0 | 110.4 | T196 Y197 | T196-V216 HydrophobicContact CG2-CB 3.81Å; T196-V216 HydrophobicContact CG2-CG1 4.18Å; Y197-V216 WeakPolarHBondContact O-CA 3.24Å |
| 217 | L | 96.5 | Very high | 82.9 | Confident | 29 Ų | 29 | 79.4 Ų | 79.4 | 15% | 0.152 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 120.6 | 176.9 | 179.9 | 65.3 | 0 | 0 | 0 | 109.5 | L136 A138 P142 L152 Y197 I219 | L136-L217 HydrophobicContact CD2-CB 3.95Å; L136-L217 HydrophobicContact CD2-CD2 4.33Å; L136-L217 HydrophobicContact CG-CB 4.2Å; L136-L217 HydrophobicContact CG-CD2 3.91Å; A138-L217 HydrophobicContact CB-CD2 3.96Å; P142-L217 HydrophobicContact CB-CD1 4.42Å; L152-L217 HydrophobicContact CD2-CD2 4.01Å; Y197-L217 PolarHBondContact N-O 2.93Å; Y197-L217 PolarHBondContact O-N 3.25Å; L217-I219 HydrophobicContact CD2-CD1 4.25Å; L217-I219 HydrophobicContact CG-CD1 4.2Å |
| 218 | V | 95.7 | Very high | 81.8 | Confident | 83 Ų | 83 | 82.1 Ų | 82.1 | 50% | 0.503 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 125.9 | 179.1 | -177.4 | 0 | 0 | 0 | 0 | 109.5 | P142 T196 | P142-V218 WeakPolarHBondContact CB-O 3.5Å; T196-V218 HydrophobicContact CG2-CG2 4.24Å |
| 219 | I | 93.2 | Very high | 80.8 | Confident | 4 Ų | 4 | 80.1 Ų | 80.1 | 2% | 0.021 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 127.7 | 171.2 | -52.9 | -58.5 | 0 | 0 | 0 | 108.7 | A138 P142 V144 L152 A193 P194 G195 Y197 L217 | A138-I219 HydrophobicContact CB-CD1 3.65Å; P142-I219 HydrophobicContact CB-CD1 4.22Å; P142-I219 VanDerWaalsContact O-CA 3.26Å; P142-I219 WeakPolarHBondContact O-CA 3.43Å; V144-I219 HydrophobicContact CG1-CG2 4.05Å; V144-I219 HydrophobicContact CG2-CG2 3.9Å; L152-I219 HydrophobicContact CD2-CD1 3.83Å; L152-I219 HydrophobicContact CD2-CG1 4.26Å; A193-I219 WeakPolarHBondContact O-CB 3.34Å; A193-I219 WeakPolarHBondContact O-CG2 3.33Å; P194-I219 VanDerWaalsContact CA-O 3.26Å; P194-I219 WeakPolarHBondContact CA-O 3.36Å; G195-I219 PolarHBondContact N-O 3.34Å; G195-I219 PolarHBondContact O-N 3.09Å; Y197-I219 HydrophobicContact CD2-CG1 3.85Å; Y197-I219 HydrophobicContact CE2-CB 4.27Å; Y197-I219 HydrophobicContact CE2-CG1 3.93Å; L217-I219 HydrophobicContact CD2-CD1 4.25Å; L217-I219 HydrophobicContact CG-CD1 4.2Å |
| 220 | S | 90.9 | Very high | 80 | Confident | 52 Ų | 52 | 82.8 Ų | 82.8 | 36% | 0.364 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 159.1 | -177.3 | 54.2 | 0 | 0 | 0 | 0 | 111.2 | P142 V143 V144 | P142-S220 PolarHBondContact O-N 3.11Å; V143-S220 WeakPolarHBondContact CA-O 3.34Å; V144-S220 WeakPolarHBondContact CG2-O 3.17Å; V144-S220 PolarHBondContact N-O 2.83Å |
| 221 | W | 86.8 | Confident | 79.2 | Confident | 99 Ų | 99 | 87.4 Ų | 87.4 | 38% | 0.375 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 147.9 | 172.2 | -69 | 116.4 | 0 | 0 | 0 | 110.4 | V144 G145 P146 G190 P194 D223 | V144-W221 HydrophobicContact CG2-CE3 3.98Å; V144-W221 HydrophobicContact CG2-CZ3 4.03Å; V144-W221 CarbonylContact O-C 3.5Å; V144-W221 WeakPolarHBondContact O-CA 2.98Å; V144-W221 VanDerWaalsContact O-CE3 3.32Å; G145-W221 WeakPolarHBondContact O-CZ3 3.32Å; P146-W221 VanDerWaalsContact CA-CZ3 3.44Å; G190-W221 VanDerWaalsContact O-CH2 3.26Å; G190-W221 WeakPolarHBondContact O-CH2 2.96Å; P194-W221 HydrophobicContact CG-CD2 3.83Å; P194-W221 HydrophobicContact CG-CE3 4.45Å; P194-W221 HydrophobicContact CG-CG 4.25Å; P194-W221 HydrophobicContact CG-CH2 4.1Å; P194-W221 HydrophobicContact CG-CZ2 3.45Å; P194-W221 VanDerWaalsContact CG-CZ2 3.45Å; W221-D223 PolarHBondContact O-N 2.85Å |
| 222 | E | 82.3 | Confident | 78.2 | Confident | 125 Ų | 125 | 88.2 Ų | 88.2 | 58% | 0.584 | 48% | 0.48 | S | S | * | . | trans | -65.9 | 101.9 | 161.5 | -166 | 168.3 | -159.3 | 0 | 0 | 107.6 | V143 V144 S224 | V143-E222 VanDerWaalsContact CG1-CA 3.43Å; V143-E222 HydrophobicContact CG1-CB 3.8Å; V143-E222 HydrophobicContact CG1-CG 4.23Å; V144-E222 PolarHBondContact O-N 2.78Å; E222-S224 PolarHBondContact O-N 2.89Å | ||
| 223 | D | 68.8 | Low | 77.6 | Confident | 152 Ų | 152 | 88.4 Ų | 88.4 | 81% | 0.813 | 48% | 0.484 | S | S | * | . | trans | -60.9 | 104.6 | 169.2 | -82.3 | -25.4 | 0 | 0 | 0 | 106.8 | W221 G225 | W221-D223 PolarHBondContact O-N 2.85Å; D223-G225 VanDerWaalsContact C-N 3.33Å; D223-G225 PolarHBondContact O-N 3.01Å | ||
| 224 | S | 55 | Low | 77.2 | Confident | 97 Ų | 97 | 88.9 Ų | 88.9 | 68% | 0.678 | 49% | 0.494 | S | S | * | . | trans | -60.1 | 103.8 | 168.7 | 61.5 | 0 | 0 | 0 | 0 | 106.4 | E222 S226 | E222-S224 PolarHBondContact O-N 2.89Å; S224-S226 PolarHBondContact O-N 3.23Å | ||
| 225 | G | 57.2 | Low | 76.8 | Confident | 79 Ų | 79 | 92.8 Ų | 92.8 | 81% | 0.814 | 52% | 0.517 | S | S | * | . | trans | -61.9 | 75.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | D223 | D223-G225 VanDerWaalsContact C-N 3.33Å; D223-G225 PolarHBondContact O-N 3.01Å | ||
| 226 | S | 57.8 | Low | 76.4 | Confident | 67 Ų | 67 | 95.4 Ų | 95.4 | 47% | 0.469 | 52% | 0.521 | S | S | . | . | trans | -157.3 | 76.9 | -175.5 | 177.1 | 0 | 0 | 0 | 0 | 110.2 | S224 | S224-S226 PolarHBondContact O-N 3.23Š| ||
| 227 | S | 53.4 | Low | 76.3 | Confident | 82 Ų | 82 | 96.8 Ų | 96.8 | 57% | 0.573 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -154.8 | -9.9 | 155.1 | -153.4 | 0 | 0 | 0 | 0 | 115.2 | R231 | S227-R231 VanDerWaalsContact O-CB 3.3Å; S227-R231 WeakPolarHBondContact O-CB 3.47Å |
| 228 | D | 54.7 | Low | 76.2 | Confident | 134 Ų | 134 | 97.3 Ų | 97.3 | 72% | 0.717 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -95.8 | -31.5 | -173.1 | -81.3 | -18.8 | 0 | 0 | 0 | 115.5 | G232 | D228-G232 WeakPolarHBondContact O-CA 3.32Å; D228-G232 PolarHBondContact O-N 3.45Å |
| 229 | Y | 60.7 | Low | 76.2 | Confident | 144 Ų | 144 | 98.4 Ų | 98.4 | 57% | 0.565 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -72.8 | -41.6 | -177.6 | 69.7 | -91.9 | 0 | 0 | 0 | 112.1 | N233 | Y229-N233 VanDerWaalsContact O-CB 3.24Å; Y229-N233 WeakPolarHBondContact O-CB 3.46Å; Y229-N233 PolarHBondContact O-N 2.73Å; Y229-N233 PolarHBondContact O-ND2 3.08Å; Y229-N233 PolarHBondContact O-OD1 3.08Å |
| 230 | T | 67 | Low | 76.3 | Confident | 72 Ų | 72 | 100.7 Ų | 100.7 | 44% | 0.442 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69 | -41.4 | 179.1 | -39.5 | 0 | 0 | 0 | 0 | 111.3 | N233 L234 | T230-N233 PolarHBondContact O-N 2.57Å; T230-L234 WeakPolarHBondContact O-CB 3.13Å; T230-L234 PolarHBondContact O-N 3.18Å |
| 231 | R | 71.8 | Confident | 76.5 | Confident | 176 Ų | 176 | 99.6 Ų | 99.6 | 66% | 0.664 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -68.7 | -41.6 | 176.7 | -163.1 | 175.7 | -176.1 | -178.1 | 0.6 | 111.4 | S227 L234 V235 | S227-R231 VanDerWaalsContact O-CB 3.3Å; S227-R231 WeakPolarHBondContact O-CB 3.47Å; R231-L234 PolarHBondContact O-N 3.14Å; R231-V235 WeakPolarHBondContact O-CG2 3.06Å; R231-V235 PolarHBondContact O-N 2.9Å |
| 232 | G | 74 | Confident | 77 | Confident | 28 Ų | 28 | 100.3 Ų | 100.3 | 29% | 0.289 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63 | -40.5 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | D228 V235 R236 | D228-G232 WeakPolarHBondContact O-CA 3.32Å; D228-G232 PolarHBondContact O-N 3.45Å; G232-V235 PolarHBondContact O-N 3.01Å; G232-R236 VanDerWaalsContact O-CG 3.27Å; G232-R236 WeakPolarHBondContact O-CG 3.42Å; G232-R236 PolarHBondContact O-N 2.88Å |
| 233 | N | 80.1 | Confident | 77.7 | Confident | 88 Ų | 88 | 98.3 Ų | 98.3 | 47% | 0.471 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68.3 | -37.9 | 176 | -71.9 | -13.7 | 0 | 0 | 0 | 112.2 | Y229 T230 R236 L237 | Y229-N233 VanDerWaalsContact O-CB 3.24Å; Y229-N233 WeakPolarHBondContact O-CB 3.46Å; Y229-N233 PolarHBondContact O-N 2.73Å; Y229-N233 PolarHBondContact O-ND2 3.08Å; Y229-N233 PolarHBondContact O-OD1 3.08Å; T230-N233 PolarHBondContact O-N 2.57Å; N233-R236 PolarHBondContact O-N 2.84Å; N233-L237 WeakPolarHBondContact O-CB 3.48Å; N233-L237 WeakPolarHBondContact O-CG 3.47Å; N233-L237 PolarHBondContact O-N 3.38Å |
| 234 | L | 86 | Confident | 79 | Confident | 121 Ų | 121 | 96.9 Ų | 96.9 | 63% | 0.634 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62.7 | -43 | 173.8 | -110 | 144.7 | 0 | 0 | 0 | 112.2 | T230 R231 L237 G238 | T230-L234 WeakPolarHBondContact O-CB 3.13Å; T230-L234 PolarHBondContact O-N 3.18Å; R231-L234 PolarHBondContact O-N 3.14Å; L234-L237 PolarHBondContact O-N 2.83Å; L234-G238 PolarHBondContact O-N 2Å |
| 235 | V | 88.5 | Confident | 80.9 | Confident | 87 Ų | 87 | 98 Ų | 98 | 53% | 0.527 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.8 | -42.3 | 175.2 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | R231 G232 G238 L239 | R231-V235 WeakPolarHBondContact O-CG2 3.06Å; R231-V235 PolarHBondContact O-N 2.9Å; G232-V235 PolarHBondContact O-N 3.01Å; V235-G238 PolarHBondContact O-N 2.79Å; V235-L239 HydrophobicContact CG1-CD1 4.03Å; V235-L239 WeakPolarHBondContact O-CB 3.23Å; V235-L239 WeakPolarHBondContact O-CG 3.34Å; V235-L239 PolarHBondContact O-N 2.83Å |
| 236 | R | 88.3 | Confident | 82.7 | Confident | 185 Ų | 185 | 97.1 Ų | 97.1 | 70% | 0.698 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.7 | -43.2 | 176.5 | -72.4 | 172.2 | -176.2 | -119.6 | 2.7 | 112.4 | G232 N233 L239 A240 | G232-R236 VanDerWaalsContact O-CG 3.27Å; G232-R236 WeakPolarHBondContact O-CG 3.42Å; G232-R236 PolarHBondContact O-N 2.88Å; N233-R236 PolarHBondContact O-N 2.84Å; R236-L239 PolarHBondContact O-N 2.85Å; R236-A240 WeakPolarHBondContact O-CB 3.2Å; R236-A240 PolarHBondContact O-N 2.85Å |
| 237 | L | 93.6 | Very high | 84.5 | Confident | 128 Ų | 128 | 98.4 Ų | 98.4 | 67% | 0.67 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65 | -41.3 | 175.6 | -79.9 | 162.1 | 0 | 0 | 0 | 111.8 | N233 L234 A240 G241 | N233-L237 WeakPolarHBondContact O-CB 3.48Å; N233-L237 WeakPolarHBondContact O-CG 3.47Å; N233-L237 PolarHBondContact O-N 3.38Å; L234-L237 PolarHBondContact O-N 2.83Å; L237-A240 PolarHBondContact O-N 2.85Å; L237-G241 PolarHBondContact O-N 2.94Å |
| 238 | G | 94 | Very high | 86.5 | Confident | 40 Ų | 40 | 96.3 Ų | 96.3 | 41% | 0.412 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L234 V235 G241 L242 | L234-G238 PolarHBondContact O-N 2Å; V235-G238 PolarHBondContact O-N 2.79Å; G238-G241 PolarHBondContact O-N 2.91Å; G238-L242 PolarHBondContact O-N 2.92Å |
| 239 | L | 95.6 | Very high | 88.4 | Confident | 107 Ų | 107 | 92.5 Ų | 92.5 | 56% | 0.56 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.7 | -44.1 | 175.2 | -79.7 | 163.8 | 0 | 0 | 0 | 111.9 | V235 R236 G241 L242 V243 | V235-L239 HydrophobicContact CG1-CD1 4.03Å; V235-L239 WeakPolarHBondContact O-CB 3.23Å; V235-L239 WeakPolarHBondContact O-CG 3.34Å; V235-L239 PolarHBondContact O-N 2.83Å; R236-L239 PolarHBondContact O-N 2.85Å; L239-G241 VanDerWaalsContact C-N 3.33Å; L239-G241 PolarHBondContact O-N 3.21Å; L239-L242 PolarHBondContact O-N 3.43Å; L239-V243 WeakPolarHBondContact O-CG2 3.29Å; L239-V243 PolarHBondContact O-N 2.61Å; L239-V243 VanDerWaalsContact O-N 3.09Å |
| 240 | A | 95.1 | Very high | 90 | Very high | 52 Ų | 52 | 91.2 Ų | 91.2 | 43% | 0.43 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.2 | -41.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | R236 L237 V243 L244 | R236-A240 WeakPolarHBondContact O-CB 3.2Å; R236-A240 PolarHBondContact O-N 2.85Å; L237-A240 PolarHBondContact O-N 2.85Å; A240-V243 PolarHBondContact O-N 3.16Å; A240-L244 WeakPolarHBondContact O-CG 3.07Å; A240-L244 PolarHBondContact O-N 3.13Å |
| 241 | G | 96 | Very high | 91.2 | Very high | 28 Ų | 28 | 92.7 Ų | 92.7 | 29% | 0.289 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | L237 G238 L239 V243 L244 I245 | L237-G241 PolarHBondContact O-N 2.94Å; G238-G241 PolarHBondContact O-N 2.91Å; L239-G241 VanDerWaalsContact C-N 3.33Å; L239-G241 PolarHBondContact O-N 3.21Å; G241-V243 PolarHBondContact O-N 3.23Å; G241-L244 PolarHBondContact O-N 2.91Å; G241-I245 VanDerWaalsContact O-CG1 3.29Å; G241-I245 WeakPolarHBondContact O-CG1 3.4Å; G241-I245 PolarHBondContact O-N 3.16Å |
| 242 | L | 97 | Very high | 92.2 | Very high | 115 Ų | 115 | 88.1 Ų | 88.1 | 60% | 0.602 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.5 | -39.6 | 177 | -82.4 | 166.2 | 0 | 0 | 0 | 112.8 | G238 L239 I245 S246 | G238-L242 PolarHBondContact O-N 2.92Å; L239-L242 PolarHBondContact O-N 3.43Å; L242-I245 PolarHBondContact O-N 3.39Å; L242-S246 WeakPolarHBondContact O-CB 3.4Å; L242-S246 PolarHBondContact O-N 3.17Å; L242-S246 PolarHBondContact O-OG 2.82Å |
| 243 | V | 96.5 | Very high | 92.8 | Very high | 82 Ų | 82 | 94.1 Ų | 94.1 | 50% | 0.497 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64 | -42.9 | 176 | 173 | 0 | 0 | 0 | 0 | 110.9 | L239 A240 G241 S246 L247 | L239-V243 WeakPolarHBondContact O-CG2 3.29Å; L239-V243 PolarHBondContact O-N 2.61Å; L239-V243 VanDerWaalsContact O-N 3.09Å; A240-V243 PolarHBondContact O-N 3.16Å; G241-V243 PolarHBondContact O-N 3.23Å; V243-S246 WeakPolarHBondContact CA-OG 3.41Å; V243-S246 PolarHBondContact O-N 3.5Å; V243-S246 PolarHBondContact O-OG 3.07Å; V243-L247 HydrophobicContact CG1-CD1 3.91Å; V243-L247 WeakPolarHBondContact O-CB 3.37Å; V243-L247 WeakPolarHBondContact O-CG 3.34Å; V243-L247 PolarHBondContact O-N 2.88Å |
| 244 | L | 96 | Very high | 93.2 | Very high | 122 Ų | 122 | 94 Ų | 94 | 64% | 0.639 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.3 | -39.9 | 177.8 | -69.8 | 173.9 | 0 | 0 | 0 | 112.4 | A240 G241 L247 G248 | A240-L244 WeakPolarHBondContact O-CG 3.07Å; A240-L244 PolarHBondContact O-N 3.13Å; G241-L244 PolarHBondContact O-N 2.91Å; L244-L247 PolarHBondContact O-N 3.27Å; L244-G248 PolarHBondContact O-N 2.8Å |
| 245 | I | 96.4 | Very high | 93.1 | Very high | 121 Ų | 121 | 95.6 Ų | 95.6 | 62% | 0.621 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.9 | -43.9 | 176.9 | -68.8 | 165.8 | 0 | 0 | 0 | 110.8 | G241 L242 G248 A249 | G241-I245 VanDerWaalsContact O-CG1 3.29Å; G241-I245 WeakPolarHBondContact O-CG1 3.4Å; G241-I245 PolarHBondContact O-N 3.16Å; L242-I245 PolarHBondContact O-N 3.39Å; I245-G248 PolarHBondContact O-N 2.83Å; I245-A249 WeakPolarHBondContact O-CB 3.23Å; I245-A249 PolarHBondContact O-N 3.05Å |
| 246 | S | 95.1 | Very high | 92.9 | Very high | 60 Ų | 60 | 99.1 Ų | 99.1 | 42% | 0.42 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.5 | -41.1 | 178.8 | 43.3 | 0 | 0 | 0 | 0 | 112.4 | L242 V243 A249 L250 | L242-S246 WeakPolarHBondContact O-CB 3.4Å; L242-S246 PolarHBondContact O-N 3.17Å; L242-S246 PolarHBondContact O-OG 2.82Å; V243-S246 WeakPolarHBondContact CA-OG 3.41Å; V243-S246 PolarHBondContact O-N 3.5Å; V243-S246 PolarHBondContact O-OG 3.07Å; S246-A249 PolarHBondContact O-N 3.01Å; S246-L250 WeakPolarHBondContact O-CG 3.17Å; S246-L250 PolarHBondContact O-N 2.83Å |
| 247 | L | 95.6 | Very high | 92.4 | Very high | 95 Ų | 95 | 93.5 Ų | 93.5 | 50% | 0.497 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.6 | -43.5 | 172.2 | -73.2 | 166 | 0 | 0 | 0 | 112 | V243 L244 A249 L250 V251 | V243-L247 HydrophobicContact CG1-CD1 3.91Å; V243-L247 WeakPolarHBondContact O-CB 3.37Å; V243-L247 WeakPolarHBondContact O-CG 3.34Å; V243-L247 PolarHBondContact O-N 2.88Å; L244-L247 PolarHBondContact O-N 3.27Å; L247-A249 VanDerWaalsContact C-N 3.32Å; L247-A249 PolarHBondContact O-N 3.37Å; L247-L250 PolarHBondContact O-N 2.92Å; L247-V251 WeakPolarHBondContact O-CG2 3.46Å; L247-V251 PolarHBondContact O-N 3.42Å |
| 248 | G | 95.2 | Very high | 91.5 | Very high | 37 Ų | 37 | 93.3 Ų | 93.3 | 38% | 0.381 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.3 | -39.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L244 I245 T252 | L244-G248 PolarHBondContact O-N 2.8Å; I245-G248 PolarHBondContact O-N 2.83Å; G248-T252 PolarHBondContact O-N 3.06Å; G248-T252 PolarHBondContact O-OG1 3.47Å |
| 249 | A | 94.6 | Very high | 90.2 | Very high | 55 Ų | 55 | 96.5 Ų | 96.5 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.5 | -40.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I245 S246 L247 T252 F253 | I245-A249 WeakPolarHBondContact O-CB 3.23Å; I245-A249 PolarHBondContact O-N 3.05Å; S246-A249 PolarHBondContact O-N 3.01Å; L247-A249 VanDerWaalsContact C-N 3.32Å; L247-A249 PolarHBondContact O-N 3.37Å; A249-T252 WeakPolarHBondContact CA-OG1 3.42Å; A249-T252 PolarHBondContact O-OG1 3.48Å; A249-T252 VanDerWaalsContact O-OG1 3.05Å; A249-F253 VanDerWaalsContact O-CB 3.27Å; A249-F253 WeakPolarHBondContact O-CB 3.49Å; A249-F253 PolarHBondContact O-N 3.08Å |
| 250 | L | 93.4 | Very high | 88.7 | Confident | 117 Ų | 117 | 100.9 Ų | 100.9 | 61% | 0.613 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.5 | -45 | 176.5 | -73 | 169.9 | 0 | 0 | 0 | 111.9 | S246 L247 F253 D254 | S246-L250 WeakPolarHBondContact O-CG 3.17Å; S246-L250 PolarHBondContact O-N 2.83Å; L247-L250 PolarHBondContact O-N 2.92Å; L250-F253 PolarHBondContact O-N 3.2Å; L250-D254 WeakPolarHBondContact O-CB 3.33Å; L250-D254 PolarHBondContact O-N 3.09Å |
| 251 | V | 92.9 | Very high | 86.9 | Confident | 103 Ų | 103 | 101.9 Ų | 101.9 | 62% | 0.624 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64 | -42.8 | 178.3 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | L247 F253 D254 W255 | L247-V251 WeakPolarHBondContact O-CG2 3.46Å; L247-V251 PolarHBondContact O-N 3.42Å; V251-F253 VanDerWaalsContact C-N 3.33Å; V251-F253 PolarHBondContact O-N 3.35Å; V251-D254 PolarHBondContact O-N 3.23Å; V251-W255 VanDerWaalsContact O-CB 3.29Å; V251-W255 WeakPolarHBondContact O-CB 3.37Å; V251-W255 PolarHBondContact O-N 2.83Å |
| 252 | T | 91.7 | Very high | 84.9 | Confident | 79 Ų | 79 | 106.4 Ų | 106.4 | 49% | 0.485 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.8 | -34.3 | 177.1 | 38.9 | 0 | 0 | 0 | 0 | 112.5 | G248 A249 R256 | G248-T252 PolarHBondContact O-N 3.06Å; G248-T252 PolarHBondContact O-OG1 3.47Å; A249-T252 WeakPolarHBondContact CA-OG1 3.42Å; A249-T252 PolarHBondContact O-OG1 3.48Å; A249-T252 VanDerWaalsContact O-OG1 3.05Å; T252-R256 WeakPolarHBondContact O-CB 3.29Å; T252-R256 WeakPolarHBondContact O-CG 3.11Å; T252-R256 PolarHBondContact O-N 2.97Å |
| 253 | F | 87.9 | Confident | 82.9 | Confident | 154 Ų | 154 | 106 Ų | 106 | 68% | 0.675 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.4 | -46.6 | 173.6 | -169.7 | -92.5 | 0 | 0 | 0 | 111.7 | A249 L250 V251 R256 S257 | A249-F253 VanDerWaalsContact O-CB 3.27Å; A249-F253 WeakPolarHBondContact O-CB 3.49Å; A249-F253 PolarHBondContact O-N 3.08Å; L250-F253 PolarHBondContact O-N 3.2Å; V251-F253 VanDerWaalsContact C-N 3.33Å; V251-F253 PolarHBondContact O-N 3.35Å; F253-R256 PolarHBondContact O-N 2.91Å; F253-S257 WeakPolarHBondContact O-CB 3.17Å; F253-S257 PolarHBondContact O-N 2.77Å |
| 254 | D | 87.3 | Confident | 80.7 | Confident | 85 Ų | 85 | 105.8 Ų | 105.8 | 46% | 0.455 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63.3 | -44.4 | 177.4 | -171.7 | 54.6 | 0 | 0 | 0 | 111.8 | L250 V251 R256 S257 Q258 | L250-D254 WeakPolarHBondContact O-CB 3.33Å; L250-D254 PolarHBondContact O-N 3.09Å; V251-D254 PolarHBondContact O-N 3.23Å; D254-R256 VanDerWaalsContact C-N 3.34Å; D254-R256 PolarHBondContact O-N 2.85Å; D254-S257 WeakPolarHBondContact O-CA 3.35Å; D254-S257 WeakPolarHBondContact O-CB 2.86Å; D254-S257 PolarHBondContact O-N 2.81Å; D254-Q258 WeakPolarHBondContact O-CG 3.5Å; D254-Q258 PolarHBondContact O-N 3.43Å; D254-Q258 PolarHBondContact OD2-NE2 3.18Å |
| 255 | W | 85.3 | Confident | 78.6 | Confident | 155 Ų | 155 | 107.9 Ų | 107.9 | 59% | 0.587 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -59.9 | -42 | 174.9 | -179.4 | 68 | 0 | 0 | 0 | 112.6 | V251 S257 N259 | V251-W255 VanDerWaalsContact O-CB 3.29Å; V251-W255 WeakPolarHBondContact O-CB 3.37Å; V251-W255 PolarHBondContact O-N 2.83Å; W255-S257 VanDerWaalsContact C-N 3.32Å; W255-S257 PolarHBondContact O-N 3.5Å; W255-N259 VanDerWaalsContact CZ2-ND2 3.3Å; W255-N259 WeakPolarHBondContact CZ2-ND2 3.27Å; W255-N259 PolarHBondContact NE1-ND2 3.38Å; W255-N259 WeakPolarHBondContact O-CB 3.45Å; W255-N259 PolarHBondContact O-N 2.69Å |
| 256 | R | 83 | Confident | 76.1 | Confident | 161 Ų | 161 | 113.3 Ų | 113.3 | 61% | 0.608 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66.4 | -33 | 173.4 | -84.5 | -176 | 176.9 | -177.9 | 1.4 | 112.7 | T252 F253 D254 R260 | T252-R256 WeakPolarHBondContact O-CB 3.29Å; T252-R256 WeakPolarHBondContact O-CG 3.11Å; T252-R256 PolarHBondContact O-N 2.97Å; F253-R256 PolarHBondContact O-N 2.91Å; D254-R256 VanDerWaalsContact C-N 3.34Å; D254-R256 PolarHBondContact O-N 2.85Å; R256-R260 WeakPolarHBondContact O-CB 3.19Å; R256-R260 VanDerWaalsContact O-CG 3.25Å; R256-R260 WeakPolarHBondContact O-CG 3.44Å; R256-R260 PolarHBondContact O-N 3.13Å |
| 257 | S | 77.9 | Confident | 74.3 | Confident | 68 Ų | 68 | 119.7 Ų | 119.7 | 48% | 0.476 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -68 | -48.5 | 176.8 | -175.4 | 0 | 0 | 0 | 0 | 111.1 | F253 D254 W255 N259 R260 A261 | F253-S257 WeakPolarHBondContact O-CB 3.17Å; F253-S257 PolarHBondContact O-N 2.77Å; D254-S257 WeakPolarHBondContact O-CA 3.35Å; D254-S257 WeakPolarHBondContact O-CB 2.86Å; D254-S257 PolarHBondContact O-N 2.81Å; W255-S257 VanDerWaalsContact C-N 3.32Å; W255-S257 PolarHBondContact O-N 3.5Å; S257-N259 PolarHBondContact O-N 3.29Å; S257-R260 PolarHBondContact O-N 3.24Å; S257-A261 PolarHBondContact O-N 3.2Å |
| 258 | Q | 74.7 | Confident | 73.3 | Confident | 123 Ų | 123 | 121 Ų | 121 | 58% | 0.575 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -62.8 | -41.5 | 177.7 | -69.2 | -180 | 9.3 | 0 | 0 | 112.1 | D254 R260 A261 | D254-Q258 WeakPolarHBondContact O-CG 3.5Å; D254-Q258 PolarHBondContact O-N 3.43Å; D254-Q258 PolarHBondContact OD2-NE2 3.18Å; Q258-R260 PolarHBondContact O-N 3.41Å; Q258-A261 PolarHBondContact O-N 2.8Å |
| 259 | N | 66.4 | Low | 72.1 | Confident | 108 Ų | 108 | 125.4 Ų | 125.4 | 58% | 0.578 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -12.5 | 174.7 | -78.4 | -12.7 | 0 | 0 | 0 | 114 | W255 S257 | W255-N259 VanDerWaalsContact CZ2-ND2 3.3Å; W255-N259 WeakPolarHBondContact CZ2-ND2 3.27Å; W255-N259 PolarHBondContact NE1-ND2 3.38Å; W255-N259 WeakPolarHBondContact O-CB 3.45Å; W255-N259 PolarHBondContact O-N 2.69Å; S257-N259 PolarHBondContact O-N 3.29Å |
| 260 | R | 64.5 | Low | 70.9 | Confident | 199 Ų | 199 | 129.3 Ų | 129.3 | 75% | 0.751 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | -2.5 | 176.2 | -78 | 179.9 | 178.2 | -176.1 | -0.5 | 113.6 | R256 S257 Q258 P262 | R256-R260 WeakPolarHBondContact O-CB 3.19Å; R256-R260 VanDerWaalsContact O-CG 3.25Å; R256-R260 WeakPolarHBondContact O-CG 3.44Å; R256-R260 PolarHBondContact O-N 3.13Å; S257-R260 PolarHBondContact O-N 3.24Å; Q258-R260 PolarHBondContact O-N 3.41Å; R260-P262 WeakPolarHBondContact O-CD 3.38Å |
| 261 | A | 57.3 | Low | 69.5 | Low | 73 Ų | 73 | 130 Ų | 130 | 60% | 0.603 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -72.1 | 119 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | S257 Q258 | S257-A261 PolarHBondContact O-N 3.2Å; Q258-A261 PolarHBondContact O-N 2.8Å |
| 262 | P | 55 | Low | 68.1 | Low | 123 Ų | 123 | 131.7 Ų | 131.7 | 80% | 0.799 | 70% | 0.704 | S | S | * | * | trans | -73.3 | 142.6 | 177.3 | -8.5 | 24.4 | 0 | 0 | 0 | 111.2 | R260 G264 | R260-P262 WeakPolarHBondContact O-CD 3.38Å; P262-G264 PolarHBondContact O-N 3.15Å; P262-G264 VanDerWaalsContact O-N 3.11Å | ||
| 263 | A | 54.8 | Low | 66.5 | Low | 105 Ų | 105 | 135.2 Ų | 135.2 | 87% | 0.868 | 72% | 0.719 | S | S | * | * | trans | -56.7 | 111.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 264 | G | 50.3 | Low | 65 | Low | 79 Ų | 79 | 133.9 Ų | 133.9 | 81% | 0.814 | 72% | 0.722 | S | S | * | * | trans | -82 | 116 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | P262 | P262-G264 PolarHBondContact O-N 3.15Å; P262-G264 VanDerWaalsContact O-N 3.11Å | ||
| 265 | I | 52.1 | Low | 63.2 | Low | 166 Ų | 166 | 137.6 Ų | 137.6 | 85% | 0.851 | 74% | 0.743 | S | S | * | * | trans | -25.5 | 131.4 | 170.4 | -68.3 | 149.3 | 0 | 0 | 0 | 116.3 | ||||
| 266 | R | 43 | Very low | 61.4 | Low | 235 Ų | 235 | 136.2 Ų | 136.2 | 89% | 0.887 | 76% | 0.756 | S | S | * | * | trans | -69.4 | 147.6 | 164 | -76.1 | -178.4 | -177.3 | 173.1 | 0 | 111.6 | ||||
| 267 | P | 57.9 | Low | 59.4 | Low | 194 Ų | 194 | 133.9 Ų | 133.9 | 100% | 1.26 | 77% | 0.769 | S | S | * | * | -89.2 | 0 | 129.5 | 29.6 | -20.5 | 0 | 0 | 0 | 111.3 |
Retrieved 267 of 267 residues in 48.2 ms
(Link to these results)