| 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 | V | 35.5 | Very low | 29.3 | Very low | 194 Ų | 194 | 142.8 Ų | 142.8 | 100% | 1.176 | 84% | 0.84 | S | S | * | * | 0 | 118.8 | 0 | 176.8 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 2 | N | 26.7 | Very low | 29.3 | Very low | 162 Ų | 162 | 141.3 Ų | 141.3 | 87% | 0.866 | 84% | 0.843 | S | S | * | * | trans | -10.4 | 153.1 | 166.6 | -52.6 | -20.1 | 0 | 0 | 0 | 118.2 | ||||
| 3 | G | 28.7 | Very low | 29.3 | Very low | 64 Ų | 64 | 144.8 Ų | 144.8 | 66% | 0.66 | 85% | 0.845 | S | S | * | * | cis | -165.4 | 153.4 | 12.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 4 | V | 27.8 | Very low | 29.3 | Very low | 146 Ų | 146 | 140.4 Ų | 140.4 | 89% | 0.885 | 85% | 0.845 | S | S | * | * | 66.1 | 116.1 | 87.7 | -170.9 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 5 | G | 28.6 | Very low | 29.1 | Very low | 79 Ų | 79 | 135.9 Ų | 135.9 | 81% | 0.814 | 84% | 0.839 | S | S | * | * | trans | -158.6 | 89.9 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 6 | E | 26 | Very low | 29.8 | Very low | 133 Ų | 133 | 135.2 Ų | 135.2 | 62% | 0.621 | 84% | 0.837 | S | S | * | * | trans | -65.5 | 144.1 | 169.3 | -85.6 | -176.9 | 123.8 | 0 | 0 | 111.4 | R8 | E6-R8 IonicContact OE1-CZ 3.65Å; E6-R8 IonicContact OE1-NE 3.19Å; E6-R8 PolarHBondContact OE1-NE 2.93Å; E6-R8 VanDerWaalsContact OE1-NE 3.11Å; E6-R8 IonicContact OE1-NH2 2.66Å; E6-R8 PolarHBondContact OE1-NH2 2.88Å | ||
| 7 | V | 29.8 | Very low | 29.8 | Very low | 149 Ų | 149 | 138.2 Ų | 138.2 | 90% | 0.903 | 84% | 0.839 | S | S | * | * | trans | -136.8 | 124 | 140.1 | -178 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 8 | R | 29.2 | Very low | 29.9 | Very low | 201 Ų | 201 | 144.6 Ų | 144.6 | 76% | 0.758 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -88 | 162.5 | -178.8 | -81.3 | -174.5 | -173.7 | -161.4 | 1.2 | 112.9 | E6 | E6-R8 IonicContact OE1-CZ 3.65Å; E6-R8 IonicContact OE1-NE 3.19Å; E6-R8 PolarHBondContact OE1-NE 2.93Å; E6-R8 VanDerWaalsContact OE1-NE 3.11Å; E6-R8 IonicContact OE1-NH2 2.66Å; E6-R8 PolarHBondContact OE1-NH2 2.88Å |
| 9 | P | 33.6 | Very low | 30 | Very low | 123 Ų | 123 | 143.6 Ų | 143.6 | 80% | 0.799 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 155.8 | -169.1 | 37.1 | -33.4 | 0 | 0 | 0 | 113.9 | ||
| 10 | G | 28.5 | Very low | 30 | Very low | 84 Ų | 84 | 145.3 Ų | 145.3 | 87% | 0.866 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 121.4 | 167 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 11 | R | 27.7 | Very low | 30.3 | Very low | 236 Ų | 236 | 146.3 Ų | 146.3 | 89% | 0.891 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 142.9 | 163.1 | -91.2 | 179 | 169.5 | 179.2 | -2.9 | 109.5 | ||
| 12 | S | 29.8 | Very low | 30.1 | Very low | 125 Ų | 125 | 142.8 Ų | 142.8 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | trans | -134.7 | 136.6 | 141.4 | 57.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 13 | Q | 29.1 | Very low | 30.2 | Very low | 187 Ų | 187 | 144.2 Ų | 144.2 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | trans | -81.6 | 152.5 | -174.8 | -69.1 | 179.4 | -21.7 | 0 | 0 | 111.4 | ||||
| 14 | G | 29.6 | Very low | 30.3 | Very low | 82 Ų | 82 | 153.2 Ų | 153.2 | 85% | 0.845 | 84% | 0.84 | S | S | * | * | trans | 176.5 | 95.3 | 161.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 15 | G | 26.6 | Very low | 30.5 | Very low | 73 Ų | 73 | 149.2 Ų | 149.2 | 75% | 0.753 | 83% | 0.828 | S | S | * | * | trans | -118.3 | -175.6 | 149.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 16 | P | 40.3 | Very low | 31 | Very low | 125 Ų | 125 | 157 Ų | 157 | 81% | 0.812 | 83% | 0.833 | S | S | * | * | cis | -130.5 | 163.1 | -8.5 | 38 | -22.2 | 0 | 0 | 0 | 112.3 | ||||
| 17 | E | 29.6 | Very low | 31.3 | Very low | 187 Ų | 187 | 155.6 Ų | 155.6 | 87% | 0.874 | 84% | 0.838 | S | S | * | * | trans | -151.3 | 118.1 | 153.4 | -122.9 | 170.4 | -165.9 | 0 | 0 | 111.7 | ||||
| 18 | R | 31.5 | Very low | 31.7 | Very low | 253 Ų | 253 | 154.2 Ų | 154.2 | 96% | 0.955 | 83% | 0.832 | S | S | * | * | trans | -75.7 | 121.3 | 169.6 | -91.1 | 179.7 | 169.3 | -172.9 | -3.6 | 107.9 | ||||
| 19 | V | 31.3 | Very low | 32.2 | Very low | 125 Ų | 125 | 155.9 Ų | 155.9 | 76% | 0.758 | 84% | 0.839 | S | S | * | * | trans | -123.6 | 123.9 | 162.4 | -176.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 20 | Q | 29.3 | Very low | 32.6 | Very low | 177 Ų | 177 | 161.3 Ų | 161.3 | 83% | 0.827 | 84% | 0.843 | S | S | * | * | trans | -27 | 143.4 | 177.3 | -66.2 | 161.3 | 6.1 | 0 | 0 | 118.8 | P22 | Q20-P22 WeakPolarHBondContact O-CD 3.44Š| ||
| 21 | D | 36 | Very low | 33.4 | Very low | 168 Ų | 168 | 166.7 Ų | 166.7 | 90% | 0.898 | 84% | 0.837 | S | S | * | * | trans | -55.3 | 135.3 | 157 | -86.5 | -43.3 | 0 | 0 | 0 | 111.7 | ||||
| 22 | P | 32.1 | Very low | 34.3 | Very low | 119 Ų | 119 | 165.7 Ų | 165.7 | 77% | 0.773 | 83% | 0.833 | S | S | * | * | trans | -111.6 | 140.5 | 152.7 | 2.8 | 19.4 | 0 | 0 | 0 | 111.7 | Q20 | Q20-P22 WeakPolarHBondContact O-CD 3.44Š| ||
| 23 | Q | 29 | Very low | 35.4 | Very low | 192 Ų | 192 | 164.7 Ų | 164.7 | 90% | 0.897 | 83% | 0.826 | S | S | * | * | trans | -54.4 | 148.1 | -177.6 | -70.2 | 162.5 | -22.3 | 0 | 0 | 114.5 | G25 | Q23-G25 PolarHBondContact O-N 3.4Š| ||
| 24 | W | 31.5 | Very low | 36.4 | Very low | 253 Ų | 253 | 161.1 Ų | 161.1 | 96% | 0.958 | 81% | 0.805 | S | S | * | * | trans | -49.5 | 99.1 | 169.7 | -81.3 | 74.3 | 0 | 0 | 0 | 113.3 | ||||
| 25 | G | 31.7 | Very low | 37.5 | Very low | 62 Ų | 62 | 163.3 Ų | 163.3 | 64% | 0.639 | 80% | 0.797 | S | S | * | * | trans | -86.6 | 116.3 | 154 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q23 S27 | Q23-G25 PolarHBondContact O-N 3.4Å; G25-S27 PolarHBondContact O-N 2.75Å | ||
| 26 | R | 37.8 | Very low | 39 | Very low | 242 Ų | 242 | 169.7 Ų | 169.7 | 91% | 0.913 | 80% | 0.798 | S | S | * | * | trans | -58.7 | 101.8 | 169.6 | -75.9 | -176.3 | 176.8 | -173 | -0.2 | 108.8 | ||||
| 27 | S | 33.1 | Very low | 40.4 | Very low | 104 Ų | 104 | 168.5 Ų | 168.5 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -68.6 | 131.7 | 167 | 15.5 | 0 | 0 | 0 | 0 | 108.1 | G25 R29 | G25-S27 PolarHBondContact O-N 2.75Å; S27-R29 PolarHBondContact O-N 2.76Å | ||
| 28 | P | 39.2 | Very low | 43 | Very low | 121 Ų | 121 | 162.5 Ų | 162.5 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | trans | -63.1 | 126.5 | 175.6 | 27.3 | -33.1 | 0 | 0 | 0 | 107.9 | R30 | P28-R30 PolarHBondContact O-N 3.15Š| ||
| 29 | R | 39.7 | Very low | 45.7 | Very low | 236 Ų | 236 | 152.2 Ų | 152.2 | 89% | 0.891 | 72% | 0.719 | S | S | * | * | trans | -52 | 113.4 | 173.5 | -80.3 | -178.8 | 169.8 | 170.2 | -3.5 | 107.9 | S27 R31 | S27-R29 PolarHBondContact O-N 2.76Å; R29-R31 PolarHBondContact O-N 2.64Å; R29-R31 VanDerWaalsContact O-N 3.13Å | ||
| 30 | R | 41.1 | Very low | 48.4 | Very low | 237 Ų | 237 | 151 Ų | 151 | 89% | 0.894 | 70% | 0.704 | S | S | * | * | trans | -56.8 | 118.4 | 164.2 | -86.8 | -173.7 | 171 | -157.6 | -1.5 | 107 | P28 R32 | P28-R30 PolarHBondContact O-N 3.15Å; R30-R32 PolarHBondContact O-N 3.29Å; R30-R32 VanDerWaalsContact O-N 3.12Å | ||
| 31 | R | 45.3 | Very low | 51.3 | Low | 196 Ų | 196 | 143 Ų | 143 | 74% | 0.74 | 67% | 0.667 | S | S | * | * | trans | -54.1 | 117.3 | 170.5 | -87.4 | -177.3 | 164.9 | -171.2 | -10.3 | 107.5 | R29 S33 | R29-R31 PolarHBondContact O-N 2.64Å; R29-R31 VanDerWaalsContact O-N 3.13Å; R31-S33 PolarHBondContact O-N 3.42Å | ||
| 32 | R | 45.8 | Very low | 53.8 | Low | 216 Ų | 216 | 138.9 Ų | 138.9 | 82% | 0.815 | 64% | 0.644 | S | S | * | * | trans | -69.9 | 114.9 | 170.9 | -68.3 | -176.9 | 176.7 | -158.3 | -1.7 | 106 | R30 | R30-R32 PolarHBondContact O-N 3.29Å; R30-R32 VanDerWaalsContact O-N 3.12Å | ||
| 33 | S | 53.2 | Low | 56.6 | Low | 103 Ų | 103 | 133.2 Ų | 133.2 | 72% | 0.72 | 61% | 0.607 | S | S | * | * | trans | -55.2 | 142.5 | 158.4 | 48.2 | 0 | 0 | 0 | 0 | 108.2 | R31 L35 | R31-S33 PolarHBondContact O-N 3.42Å; S33-L35 PolarHBondContact O-N 3.36Å | ||
| 34 | W | 50.6 | Low | 59.2 | Low | 112 Ų | 112 | 127.4 Ų | 127.4 | 42% | 0.424 | 58% | 0.58 | S | S | . | * | trans | -45.1 | 122.7 | 179.5 | -69.3 | 87.5 | 0 | 0 | 0 | 110.9 | W36 H57 | W34-W36 VanDerWaalsContact C-N 3.29Å; W34-H57 WeakPolarHBondContact CH2-O 3.39Å | ||
| 35 | L | 53.5 | Low | 61.6 | Low | 129 Ų | 129 | 120.6 Ų | 120.6 | 68% | 0.675 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -80.9 | -10.3 | -177.1 | -107.3 | 122.9 | 0 | 0 | 0 | 113.1 | S33 | S33-L35 PolarHBondContact O-N 3.36Š|
| 36 | W | 56.9 | Low | 63.4 | Low | 207 Ų | 207 | 128.7 Ų | 128.7 | 78% | 0.784 | 57% | 0.567 | S | S | * | * | trans | -129.2 | 100.4 | -178.1 | -62.4 | 91.1 | 0 | 0 | 0 | 108.7 | W34 | W34-W36 VanDerWaalsContact C-N 3.29Š| ||
| 37 | N | 71.3 | Confident | 64.9 | Low | 100 Ų | 100 | 118.3 Ų | 118.3 | 54% | 0.535 | 54% | 0.535 | S | S | . | . | trans | -98.1 | 10.5 | 176.3 | 60.3 | -24.3 | 0 | 0 | 0 | 112.2 | F124 I125 | N37-F124 WeakPolarHBondContact O-CA 3.43Å; N37-F124 WeakPolarHBondContact O-CB 3.47Å; N37-I125 PolarHBondContact O-N 2.85Å | ||
| 38 | Q | 84 | Confident | 66.9 | Low | 61 Ų | 61 | 119 Ų | 119 | 29% | 0.285 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 135.4 | -176.9 | -61.1 | -175.5 | 5.9 | 0 | 0 | 112.4 | F40 I125 | Q38-F40 HydrophobicContact CB-CE2 4.49Å; Q38-I125 CarbonylContact C-O 3.59Å; Q38-I125 WeakPolarHBondContact CA-O 3.33Å; Q38-I125 HydrophobicContact CG-CB 4.44Å |
| 39 | F | 88.1 | Confident | 68.5 | Low | 36 Ų | 36 | 118.4 Ų | 118.4 | 16% | 0.158 | 52% | 0.523 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 158.1 | 162.7 | -64.1 | -82.8 | 0 | 0 | 0 | 109.2 | L56 I89 F124 I125 I126 R127 | F39-L56 HydrophobicContact CE2-CD2 4.41Å; F39-L56 HydrophobicContact CZ-CD2 4.35Å; F39-I89 HydrophobicContact CE2-CD1 4.13Å; F39-I89 HydrophobicContact CZ-CD1 4.4Å; F39-F124 AromaticContact CD2-CD2 3.42Å; F39-F124 HydrophobicContact CD2-CD2 3.42Å; F39-F124 VanDerWaalsContact CD2-CD2 3.42Å; F39-F124 AromaticContact CD2-CE2 3.49Å; F39-F124 HydrophobicContact CD2-CE2 3.49Å; F39-F124 VanDerWaalsContact CD2-CE2 3.49Å; F39-F124 HydrophobicContact CD2-CG 4.38Å; F39-F124 AromaticContact CE2-CD2 3.66Å; F39-F124 HydrophobicContact CE2-CD2 3.66Å; F39-F124 AromaticContact CE2-CE2 3.69Å; F39-F124 HydrophobicContact CE2-CE2 3.69Å; F39-F124 HydrophobicContact CE2-CG 4.25Å; F39-F124 HydrophobicContact CE2-CZ 4.36Å; F39-I125 PolarHBondContact N-O 2.79Å; F39-I126 HydrophobicContact CB-CG1 4.32Å; F39-I126 WeakPolarHBondContact O-CA 3.48Å; F39-R127 PolarHBondContact O-N 2.7Å |
| 40 | F | 88.3 | Confident | 70.5 | Confident | 99 Ų | 99 | 110.6 Ų | 110.6 | 43% | 0.434 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 139.3 | 179 | -65.3 | -84.4 | 0 | 0 | 0 | 110 | Q38 R127 Q129 | Q38-F40 HydrophobicContact CB-CE2 4.49Å; F40-R127 WeakPolarHBondContact CA-O 3.18Å; F40-R127 HydrophobicContact CD1-CB 3.82Å; F40-R127 HydrophobicContact CE1-CB 3.9Å; F40-R127 HydrophobicContact CE1-CG 4.42Å; F40-Q129 HydrophobicContact CB-CG 3.98Å; F40-Q129 HydrophobicContact CD1-CG 3.77Å; F40-Q129 HydrophobicContact CG-CG 4.26Å |
| 41 | V | 89.9 | Confident | 72.7 | Confident | 11 Ų | 11 | 100.7 Ų | 100.7 | 7% | 0.067 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 125.6 | 174.7 | -177.7 | 0 | 0 | 0 | 0 | 107.2 | I53 V91 L95 I126 R127 V128 Q129 | V41-I53 HydrophobicContact CB-CG2 4.49Å; V41-I53 HydrophobicContact CG1-CG2 4.32Å; V41-I53 HydrophobicContact CG2-CB 3.86Å; V41-I53 HydrophobicContact CG2-CD1 3.75Å; V41-I53 HydrophobicContact CG2-CG1 4.43Å; V41-I53 HydrophobicContact CG2-CG2 3.49Å; V41-I53 VanDerWaalsContact CG2-CG2 3.49Å; V41-V91 HydrophobicContact CG1-CG1 4.14Å; V41-L95 HydrophobicContact CB-CD1 4.25Å; V41-L95 HydrophobicContact CG1-CD1 3.93Å; V41-I126 HydrophobicContact CB-CG2 4.4Å; V41-I126 HydrophobicContact CG2-CG2 3.57Å; V41-R127 PolarHBondContact N-O 2.97Å; V41-V128 CarbonylContact O-C 3.5Å; V41-V128 VanDerWaalsContact O-CA 3.26Å; V41-V128 WeakPolarHBondContact O-CA 3.37Å; V41-Q129 PolarHBondContact O-N 3.08Å |
| 42 | I | 88.4 | Confident | 74.8 | Confident | 80 Ų | 80 | 95.9 Ų | 95.9 | 41% | 0.41 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 134.8 | 175.6 | -57 | 172.2 | 0 | 0 | 0 | 108.1 | Q129 I131 | I42-Q129 HydrophobicContact CG1-CB 4.32Å; I42-I131 HydrophobicContact CG2-CD1 3.56Å; I42-I131 HydrophobicContact CG2-CG1 3.71Å |
| 43 | E | 89.7 | Confident | 76.9 | Confident | 0 Ų | 0 | 86.9 Ų | 86.9 | 0% | 0 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 165.5 | 174.3 | 82.2 | -174.6 | 122.8 | 0 | 0 | 112.7 | Y45 L95 R97 V128 Q129 D130 I131 | E43-Y45 PolarHBondContact O-N 3.11Å; E43-L95 CarbonylContact C-O 3.59Å; E43-L95 VanDerWaalsContact CA-O 3.31Å; E43-L95 WeakPolarHBondContact CA-O 3.48Å; E43-L95 VanDerWaalsContact CB-O 3.3Å; E43-L95 WeakPolarHBondContact CB-O 3.37Å; E43-R97 WeakPolarHBondContact OE2-CB 3.34Å; E43-R97 PolarHBondContact OE2-N 2.79Å; E43-V128 HydrophobicContact CB-CG1 3.65Å; E43-Q129 PolarHBondContact N-O 3.42Å; E43-D130 WeakPolarHBondContact OE1-CA 3.37Å; E43-I131 HydrophobicContact CG-CB 3.94Å; E43-I131 HydrophobicContact CG-CD1 4.21Å; E43-I131 HydrophobicContact CG-CG1 3.95Å; E43-I131 WeakPolarHBondContact O-CD1 3.28Å; E43-I131 PolarHBondContact OE1-N 3.45Å |
| 44 | E | 85.1 | Confident | 78.6 | Confident | 71 Ų | 71 | 82.6 Ų | 82.6 | 33% | 0.332 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 28.2 | 174.7 | -72.5 | -63.1 | 145.2 | 0 | 0 | 114.3 | R46 L95 | E44-R46 VanDerWaalsContact O-CG 3.22Å; E44-R46 WeakPolarHBondContact O-CG 3.34Å; E44-R46 PolarHBondContact O-N 2.78Å; E44-R46 VanDerWaalsContact O-N 3.14Å; E44-L95 PolarHBondContact N-O 2.84Å |
| 45 | Y | 81.4 | Confident | 80.5 | Confident | 110 Ų | 110 | 84 Ų | 84 | 43% | 0.431 | 40% | 0.403 | S | S | . | . | trans | -64.5 | 117.3 | -172.5 | -179.4 | -93.4 | 0 | 0 | 0 | 111.5 | E43 G47 V51 | E43-Y45 PolarHBondContact O-N 3.11Å; Y45-G47 PolarHBondContact O-N 2.87Å; Y45-V51 HydrophobicContact CD1-CG1 4.45Å; Y45-V51 HydrophobicContact CD1-CG2 3.52Å; Y45-V51 HydrophobicContact CE1-CB 4.37Å; Y45-V51 HydrophobicContact CE1-CG1 4.06Å; Y45-V51 HydrophobicContact CE1-CG2 3.39Å | ||
| 46 | R | 68.3 | Low | 82.2 | Confident | 232 Ų | 232 | 78.3 Ų | 78.3 | 88% | 0.875 | 37% | 0.373 | S | S | * | . | trans | -96.6 | 47.2 | -174.8 | -53.9 | -169.3 | -179.3 | 176.9 | 0.5 | 114.1 | E44 | E44-R46 VanDerWaalsContact O-CG 3.22Å; E44-R46 WeakPolarHBondContact O-CG 3.34Å; E44-R46 PolarHBondContact O-N 2.78Å; E44-R46 VanDerWaalsContact O-N 3.14Å | ||
| 47 | G | 70.9 | Confident | 83.7 | Confident | 24 Ų | 24 | 73.2 Ų | 73.2 | 25% | 0.247 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -116.9 | 178.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y45 E49 | Y45-G47 PolarHBondContact O-N 2.87Å; G47-E49 PolarHBondContact O-N 3.17Å |
| 48 | P | 74.4 | Confident | 84.4 | Confident | 118 Ų | 118 | 68.7 Ų | 68.7 | 77% | 0.766 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -66.7 | 122.4 | 178.9 | 27 | -32.3 | 0 | 0 | 0 | 110.7 | ||
| 49 | E | 71.9 | Confident | 84.5 | Confident | 108 Ų | 108 | 72 Ų | 72 | 51% | 0.505 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -83.8 | 148.3 | 174.9 | -67 | 177.6 | 165.6 | 0 | 0 | 111.3 | G47 K93 A94 | G47-E49 PolarHBondContact O-N 3.17Å; E49-K93 VanDerWaalsContact OE1-C 3.25Å; E49-K93 WeakPolarHBondContact OE1-CA 3.35Å; E49-A94 PolarHBondContact OE1-N 3.44Å |
| 50 | P | 82.7 | Confident | 84.4 | Confident | 73 Ų | 73 | 74.9 Ų | 74.9 | 47% | 0.474 | 37% | 0.368 | S | S | . | . | S | Bend | cis | -86.4 | 142.6 | 1.3 | 36.2 | -36.2 | 0 | 0 | 0 | 112.6 | H90 V91 T92 | P50-H90 HydrophobicContact CB-CB 3.83Å; P50-H90 HydrophobicContact CG-CB 4.37Å; P50-V91 CarbonylContact C-O 3.57Å; P50-V91 VanDerWaalsContact CA-O 3.26Å; P50-V91 WeakPolarHBondContact CA-O 3.38Å; P50-V91 WeakPolarHBondContact CB-O 3.19Å; P50-T92 HydrophobicContact CB-CG2 4.26Å |
| 51 | V | 86.8 | Confident | 84.3 | Confident | 28 Ų | 28 | 71.5 Ų | 71.5 | 17% | 0.17 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 127.2 | -173 | -177.4 | 0 | 0 | 0 | 0 | 110.1 | Y45 I53 H90 V91 | Y45-V51 HydrophobicContact CD1-CG1 4.45Å; Y45-V51 HydrophobicContact CD1-CG2 3.52Å; Y45-V51 HydrophobicContact CE1-CB 4.37Å; Y45-V51 HydrophobicContact CE1-CG1 4.06Å; Y45-V51 HydrophobicContact CE1-CG2 3.39Å; V51-I53 PolarHBondContact O-N 3.36Å; V51-H90 CarbonylContact O-C 3.55Å; V51-H90 WeakPolarHBondContact O-CA 3.38Å; V51-H90 WeakPolarHBondContact O-CB 3.37Å; V51-V91 HydrophobicContact CB-CG1 3.7Å; V51-V91 HydrophobicContact CG2-CG1 4.37Å; V51-V91 PolarHBondContact N-O 2.72Å; V51-V91 PolarHBondContact O-N 2.81Å |
| 52 | L | 89.6 | Confident | 84 | Confident | 96 Ų | 96 | 81.1 Ų | 81.1 | 50% | 0.503 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 117.6 | 175.8 | 179.4 | 71.1 | 0 | 0 | 0 | 110.3 | G54 N88 | L52-G54 WeakPolarHBondContact CD1-O 3.16Å; L52-N88 HydrophobicContact CD1-CB 3.54Å |
| 53 | I | 89.7 | Confident | 83.6 | Confident | 27 Ų | 27 | 80.5 Ų | 80.5 | 14% | 0.138 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | -17.6 | -176.4 | 61.6 | 167.8 | 0 | 0 | 0 | 113.1 | V41 V51 F80 I89 V91 I126 | V41-I53 HydrophobicContact CB-CG2 4.49Å; V41-I53 HydrophobicContact CG1-CG2 4.32Å; V41-I53 HydrophobicContact CG2-CB 3.86Å; V41-I53 HydrophobicContact CG2-CD1 3.75Å; V41-I53 HydrophobicContact CG2-CG1 4.43Å; V41-I53 HydrophobicContact CG2-CG2 3.49Å; V41-I53 VanDerWaalsContact CG2-CG2 3.49Å; V51-I53 PolarHBondContact O-N 3.36Å; I53-F80 HydrophobicContact CD1-CD1 3.7Å; I53-F80 HydrophobicContact CD1-CE1 3.77Å; I53-I89 HydrophobicContact CD1-CB 4.49Å; I53-I89 HydrophobicContact CD1-CG2 3.77Å; I53-I89 HydrophobicContact CG1-CB 4.02Å; I53-I89 HydrophobicContact CG1-CG2 3.8Å; I53-I89 WeakPolarHBondContact CG1-O 3.35Å; I53-I89 PolarHBondContact N-O 3.25Å; I53-V91 HydrophobicContact CG2-CB 4.12Å; I53-V91 HydrophobicContact CG2-CG1 3.69Å; I53-I126 HydrophobicContact CD1-CD1 3.66Å; I53-I126 HydrophobicContact CD1-CG2 4.37Å |
| 54 | G | 88.6 | Confident | 83.2 | Confident | 13 Ų | 13 | 84.7 Ų | 84.7 | 13% | 0.134 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.4 | 173.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L52 I89 | L52-G54 WeakPolarHBondContact CD1-O 3.16Å; G54-I89 PolarHBondContact O-N 3.05Å |
| 55 | R | 90.3 | Very high | 83.1 | Confident | 142 Ų | 142 | 83.5 Ų | 83.5 | 54% | 0.536 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 128.5 | 176.2 | -176.4 | 179.9 | -177.2 | -173.6 | -1.8 | 110.1 | T86 G87 N88 | R55-T86 PolarHBondContact NE-O 3.43Å; R55-T86 PolarHBondContact NH2-O 3.2Å; R55-T86 VanDerWaalsContact NH2-O 3.15Å; R55-G87 CarbonylContact C-O 3.55Å; R55-G87 WeakPolarHBondContact CA-O 3.36Å; R55-N88 WeakPolarHBondContact CD-OD1 3.19Å; R55-N88 VanDerWaalsContact CG-OD1 3.27Å; R55-N88 WeakPolarHBondContact CG-OD1 3.47Å |
| 56 | L | 89.3 | Confident | 83.4 | Confident | 9 Ų | 9 | 83.7 Ų | 83.7 | 5% | 0.047 | 43% | 0.432 | C | S | . | . | trans | -81.7 | 142.9 | 167.7 | -60 | -177 | 0 | 0 | 0 | 110.2 | F39 Y69 L71 I82 G87 I89 A107 | F39-L56 HydrophobicContact CE2-CD2 4.41Å; F39-L56 HydrophobicContact CZ-CD2 4.35Å; L56-Y69 HydrophobicContact CB-CD1 3.99Å; L56-Y69 HydrophobicContact CB-CE1 4.36Å; L56-L71 HydrophobicContact CD1-CD2 3.91Å; L56-I82 HydrophobicContact CD1-CD1 3.57Å; L56-I82 HydrophobicContact CG-CD1 4.11Å; L56-G87 PolarHBondContact N-O 3.33Å; L56-I89 HydrophobicContact CD1-CD1 4.49Å; L56-I89 HydrophobicContact CD2-CD1 4.16Å; L56-I89 HydrophobicContact CG-CD1 3.97Å; L56-I89 HydrophobicContact CG-CG1 4.39Å; L56-A107 HydrophobicContact CD1-CB 3.49Å; L56-A107 VanDerWaalsContact CD1-CB 3.49Å; L56-A107 HydrophobicContact CD2-CB 4.16Å; L56-A107 HydrophobicContact CG-CB 4.49Å | ||
| 57 | H | 88.1 | Confident | 84.5 | Confident | 99 Ų | 99 | 72.9 Ų | 72.9 | 46% | 0.458 | 39% | 0.392 | S | S | . | . | trans | -150.1 | 141.6 | 177 | -176.4 | 59.5 | 0 | 0 | 0 | 111 | W34 | W34-H57 WeakPolarHBondContact CH2-O 3.39Š| ||
| 58 | T | 86.4 | Confident | 85.5 | Confident | 5 Ų | 5 | 75.9 Ų | 75.9 | 3% | 0.031 | 40% | 0.398 | C | S | . | . | trans | -121 | 142.3 | 173.2 | 168.4 | 0 | 0 | 0 | 0 | 108.4 | M60 D61 T67 Y69 A109 E119 | T58-M60 HydrophobicContact CG2-CB 4.41Å; T58-M60 PolarHBondContact O-N 3.4Å; T58-M60 WeakPolarHBondContact OG1-CB 3.23Å; T58-M60 PolarHBondContact OG1-N 3.36Å; T58-M60 VanDerWaalsContact OG1-N 3.16Å; T58-D61 HydrophobicContact CG2-CB 3.95Å; T58-D61 VanDerWaalsContact O-CB 3.31Å; T58-D61 WeakPolarHBondContact O-CB 3.43Å; T58-D61 PolarHBondContact O-N 3.3Å; T58-T67 HydrophobicContact CG2-CG2 3.95Å; T58-Y69 HydrophobicContact CG2-CE1 4Å; T58-Y69 PolarHBondContact N-OH 3.09Å; T58-A109 HydrophobicContact CG2-CB 4.17Å; T58-E119 WeakPolarHBondContact OG1-CG 3.36Å | ||
| 59 | D | 86.9 | Confident | 86.4 | Confident | 130 Ų | 130 | 70.4 Ų | 70.4 | 70% | 0.695 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -9.2 | 174.8 | 63.9 | -25.6 | 0 | 0 | 0 | 113.1 | D61 | D59-D61 VanDerWaalsContact C-N 3.31Š|
| 60 | M | 85.8 | Confident | 87.4 | Confident | 97 Ų | 97 | 67.7 Ų | 67.7 | 48% | 0.478 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -13.7 | 170 | -62.4 | -64.9 | -71.8 | 0 | 0 | 112.8 | T58 R62 L118 | T58-M60 HydrophobicContact CG2-CB 4.41Å; T58-M60 PolarHBondContact O-N 3.4Å; T58-M60 WeakPolarHBondContact OG1-CB 3.23Å; T58-M60 PolarHBondContact OG1-N 3.36Å; T58-M60 VanDerWaalsContact OG1-N 3.16Å; M60-R62 PolarHBondContact O-N 2.83Å; M60-L118 HydrophobicContact CB-CB 4.44Å |
| 61 | D | 86.1 | Confident | 87.9 | Confident | 29 Ų | 29 | 64.8 Ų | 64.8 | 16% | 0.155 | 33% | 0.331 | C | S | . | . | trans | -76.7 | 114.3 | 176.7 | -174.8 | 20.3 | 0 | 0 | 0 | 110.7 | T58 D59 G63 T67 Y69 | T58-D61 HydrophobicContact CG2-CB 3.95Å; T58-D61 VanDerWaalsContact O-CB 3.31Å; T58-D61 WeakPolarHBondContact O-CB 3.43Å; T58-D61 PolarHBondContact O-N 3.3Å; D59-D61 VanDerWaalsContact C-N 3.31Å; D61-G63 VanDerWaalsContact C-N 3.34Å; D61-G63 PolarHBondContact OD1-N 2.8Å; D61-G63 VanDerWaalsContact OD1-N 3.17Å; D61-T67 WeakPolarHBondContact CA-OG1 3.39Å; D61-T67 HydrophobicContact CB-CG2 4.24Å; D61-T67 WeakPolarHBondContact CB-OG1 3.49Å; D61-T67 VanDerWaalsContact CG-OG1 3.26Å; D61-T67 PolarHBondContact OD1-OG1 3.17Å; D61-Y69 WeakPolarHBondContact CB-OH 3.24Å; D61-Y69 PolarHBondContact OD2-OH 3.42Å | ||
| 62 | R | 83.4 | Confident | 88.2 | Confident | 213 Ų | 213 | 69 Ų | 69 | 80% | 0.804 | 35% | 0.348 | S | S | * | . | trans | -90.9 | 2.1 | -178.8 | -63.5 | -177.9 | -179.2 | 174.9 | 1.5 | 113.1 | M60 D64 | M60-R62 PolarHBondContact O-N 2.83Å; R62-D64 PolarHBondContact O-N 3.27Å | ||
| 63 | G | 79.4 | Confident | 88.4 | Confident | 67 Ų | 67 | 66.8 Ų | 66.8 | 69% | 0.691 | 35% | 0.349 | S | S | * | . | S | Bend | trans | 69.9 | 16.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | D61 G65 | D61-G63 VanDerWaalsContact C-N 3.34Å; D61-G63 PolarHBondContact OD1-N 2.8Å; D61-G63 VanDerWaalsContact OD1-N 3.17Å; G63-G65 VanDerWaalsContact C-N 3.31Å |
| 64 | D | 82.8 | Confident | 88.5 | Confident | 87 Ų | 87 | 69.5 Ų | 69.5 | 47% | 0.465 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -90 | 4.1 | 177.6 | 60.9 | 1.5 | 0 | 0 | 0 | 112.8 | R62 R66 | R62-D64 PolarHBondContact O-N 3.27Å; D64-R66 VanDerWaalsContact C-N 3.27Å; D64-R66 PolarHBondContact O-N 3.14Å; D64-R66 WeakPolarHBondContact OD1-CB 3.37Å; D64-R66 PolarHBondContact OD1-N 2.91Å; D64-R66 VanDerWaalsContact OD1-N 3.11Å; D64-R66 WeakPolarHBondContact OD2-CD 3.28Å |
| 65 | G | 82.2 | Confident | 88.5 | Confident | 46 Ų | 46 | 69.8 Ų | 69.8 | 47% | 0.474 | 37% | 0.365 | S | S | . | . | S | Bend | trans | 76 | 7.9 | -180 | 0 | 0 | 0 | 0 | 0 | 114.5 | G63 R112 | G63-G65 VanDerWaalsContact C-N 3.31Å; G65-R112 VanDerWaalsContact O-CD 3.28Å; G65-R112 WeakPolarHBondContact O-CD 3.34Å; G65-R112 PolarHBondContact O-NE 2.88Å |
| 66 | R | 88.2 | Confident | 88.6 | Confident | 115 Ų | 115 | 65.5 Ų | 65.5 | 43% | 0.434 | 35% | 0.354 | S | S | . | . | trans | -78.7 | -19.1 | 179 | -69.6 | -174.9 | 157.9 | -129 | -12.7 | 113.7 | D64 R112 E113 | D64-R66 VanDerWaalsContact C-N 3.27Å; D64-R66 PolarHBondContact O-N 3.14Å; D64-R66 WeakPolarHBondContact OD1-CB 3.37Å; D64-R66 PolarHBondContact OD1-N 2.91Å; D64-R66 VanDerWaalsContact OD1-N 3.11Å; D64-R66 WeakPolarHBondContact OD2-CD 3.28Å; R66-R112 WeakPolarHBondContact O-CB 3.26Å; R66-R112 WeakPolarHBondContact O-CG 3.39Å; R66-R112 PolarHBondContact O-N 3.28Å; R66-E113 IonicContact CZ-OE2 3.28Å; R66-E113 IonicContact NH1-OE2 3.1Å; R66-E113 PolarHBondContact NH1-OE2 2.95Å; R66-E113 IonicContact NH2-OE1 3.1Å; R66-E113 IonicContact NH2-OE2 2.67Å; R66-E113 PolarHBondContact NH2-OE2 3.18Å | ||
| 67 | T | 91 | Very high | 88.5 | Confident | 5 Ų | 5 | 68 Ų | 68 | 3% | 0.031 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 137.1 | 178.3 | -48.8 | 0 | 0 | 0 | 0 | 110.4 | T58 D61 Y69 R112 L118 | T58-T67 HydrophobicContact CG2-CG2 3.95Å; D61-T67 WeakPolarHBondContact CA-OG1 3.39Å; D61-T67 HydrophobicContact CB-CG2 4.24Å; D61-T67 WeakPolarHBondContact CB-OG1 3.49Å; D61-T67 VanDerWaalsContact CG-OG1 3.26Å; D61-T67 PolarHBondContact OD1-OG1 3.17Å; T67-Y69 HydrophobicContact CG2-CD2 4.36Å; T67-Y69 HydrophobicContact CG2-CE1 4Å; T67-Y69 HydrophobicContact CG2-CE2 3.83Å; T67-R112 PolarHBondContact O-NE 2.88Å; T67-R112 VanDerWaalsContact O-NE 3.08Å; T67-L118 HydrophobicContact CG2-CD1 3.93Å |
| 68 | K | 92.8 | Very high | 88.6 | Confident | 86 Ų | 86 | 67 Ų | 67 | 37% | 0.374 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 117.7 | 169.2 | -172.5 | -176.6 | 179 | -167.2 | 0 | 110 | M70 G84 A109 T110 R112 | K68-M70 HydrophobicContact CD-CG 4.27Å; K68-M70 HydrophobicContact CD-SD 4.04Å; K68-M70 HydrophobicContact CG-CG 4.15Å; K68-G84 WeakPolarHBondContact CA-O 3.42Å; K68-A109 WeakPolarHBondContact O-CA 3.4Å; K68-T110 PolarHBondContact N-O 3.42Å; K68-T110 PolarHBondContact O-N 2.93Å; K68-R112 HydrophobicContact CB-CG 3.74Å |
| 69 | Y | 92.9 | Very high | 88.9 | Confident | 4 Ų | 4 | 67.2 Ų | 67.2 | 2% | 0.016 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 138.5 | 172 | -59.5 | -77.5 | 0 | 0 | 0 | 110.6 | L56 T58 D61 T67 G84 G87 A109 | L56-Y69 HydrophobicContact CB-CD1 3.99Å; L56-Y69 HydrophobicContact CB-CE1 4.36Å; T58-Y69 HydrophobicContact CG2-CE1 4Å; T58-Y69 PolarHBondContact N-OH 3.09Å; D61-Y69 WeakPolarHBondContact CB-OH 3.24Å; D61-Y69 PolarHBondContact OD2-OH 3.42Å; T67-Y69 HydrophobicContact CG2-CD2 4.36Å; T67-Y69 HydrophobicContact CG2-CE1 4Å; T67-Y69 HydrophobicContact CG2-CE2 3.83Å; Y69-G84 PolarHBondContact N-O 2.83Å; Y69-G84 VanDerWaalsContact N-O 3.09Å; Y69-G84 VanDerWaalsContact O-CA 3.28Å; Y69-G84 WeakPolarHBondContact O-CA 3.37Å; Y69-G87 VanDerWaalsContact CD2-CA 3.43Å; Y69-A109 HydrophobicContact CD1-CB 4.11Å; Y69-A109 HydrophobicContact CE1-CB 4.16Å |
| 70 | M | 92.5 | Very high | 89.2 | Confident | 50 Ų | 50 | 61 Ų | 61 | 25% | 0.246 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 149 | 177.1 | -57 | -178.1 | -54.6 | 0 | 0 | 110 | K68 T108 T110 | K68-M70 HydrophobicContact CD-CG 4.27Å; K68-M70 HydrophobicContact CD-SD 4.04Å; K68-M70 HydrophobicContact CG-CG 4.15Å; M70-T108 WeakPolarHBondContact CE-OG1 3.38Å; M70-T108 PolarHBondContact N-O 2.91Å; M70-T108 PolarHBondContact O-N 2.82Å; M70-T110 HydrophobicContact CE-CG2 4.02Å |
| 71 | L | 93.6 | Very high | 89.5 | Confident | 13 Ų | 13 | 58.8 Ų | 58.8 | 7% | 0.068 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 143.1 | 171.8 | -69.8 | -179.8 | 0 | 0 | 0 | 108.8 | L56 V76 I82 I89 A107 F124 | L56-L71 HydrophobicContact CD1-CD2 3.91Å; L71-V76 HydrophobicContact CB-CG1 4.07Å; L71-V76 HydrophobicContact CB-CG2 3.97Å; L71-V76 WeakPolarHBondContact O-CG1 3.31Å; L71-I82 HydrophobicContact CB-CG2 4.09Å; L71-I82 HydrophobicContact CD1-CB 3.77Å; L71-I82 HydrophobicContact CD1-CD1 4.36Å; L71-I82 HydrophobicContact CD1-CG2 4.15Å; L71-I82 HydrophobicContact CD2-CD1 4.34Å; L71-I82 HydrophobicContact CG-CB 3.86Å; L71-I82 HydrophobicContact CG-CD1 3.92Å; L71-I82 HydrophobicContact CG-CG1 4.49Å; L71-I82 HydrophobicContact CG-CG2 3.79Å; L71-I89 HydrophobicContact CD1-CD1 4.14Å; L71-I89 HydrophobicContact CD1-CG1 4.1Å; L71-I89 HydrophobicContact CD1-CG2 3.86Å; L71-I89 HydrophobicContact CD2-CD1 4.35Å; L71-A107 HydrophobicContact CD2-CB 4.32Å; L71-F124 HydrophobicContact CD2-CE1 3.62Å; L71-F124 HydrophobicContact CD2-CZ 3.58Å |
| 72 | E | 93.4 | Very high | 89.9 | Confident | 115 Ų | 115 | 59.1 Ų | 59.1 | 54% | 0.537 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 154.9 | 170.5 | -64.8 | 179.5 | 179.1 | 0 | 0 | 108.3 | L105 T106 | E72-L105 WeakPolarHBondContact O-CA 3.44Å; E72-T106 PolarHBondContact N-O 3.02Å; E72-T106 PolarHBondContact O-N 3.38Å |
| 73 | G | 92.4 | Very high | 90.4 | Very high | 51 Ų | 51 | 51.8 Ų | 51.8 | 53% | 0.526 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 120.3 | -158.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 74 | E | 92.7 | Very high | 90.9 | Very high | 83 Ų | 83 | 49.4 Ų | 49.4 | 39% | 0.388 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | 130.1 | -170.9 | -59.7 | -175.6 | 163.3 | 0 | 0 | 112.9 | V76 K100 Y103 R104 L105 | E74-V76 PolarHBondContact O-N 3.27Å; E74-K100 IonicContact OE1-NZ 2.75Å; E74-K100 WeakPolarHBondContact OE2-CE 3.28Å; E74-K100 IonicContact OE2-NZ 3.07Å; E74-K100 PolarHBondContact OE2-NZ 2.82Å; E74-Y103 HydrophobicContact CB-CD1 4.2Å; E74-R104 PolarHBondContact N-O 2.84Å; E74-L105 WeakPolarHBondContact O-CD2 3.34Å |
| 75 | G | 89.1 | Confident | 91.2 | Very high | 20 Ų | 20 | 49.9 Ų | 49.9 | 21% | 0.206 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 5.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | G77 S78 V79 F80 | G75-G77 PolarHBondContact O-N 3.04Å; G75-S78 PolarHBondContact O-N 2.92Å; G75-S78 PolarHBondContact O-OG 2.83Å; G75-V79 WeakPolarHBondContact O-CA 3.49Å; G75-V79 WeakPolarHBondContact O-CB 3.48Å; G75-V79 PolarHBondContact O-N 2.86Å; G75-F80 PolarHBondContact O-N 2.9Å |
| 76 | V | 92.2 | Very high | 91.6 | Very high | 51 Ų | 51 | 49.7 Ų | 49.7 | 31% | 0.309 | 29% | 0.292 | S | S | . | . | B | Isolated β-bridge | trans | -67.2 | 130.9 | 173.6 | -178.6 | 0 | 0 | 0 | 0 | 110.2 | L71 E74 S78 L105 | L71-V76 HydrophobicContact CB-CG1 4.07Å; L71-V76 HydrophobicContact CB-CG2 3.97Å; L71-V76 WeakPolarHBondContact O-CG1 3.31Å; E74-V76 PolarHBondContact O-N 3.27Å; V76-S78 PolarHBondContact O-N 3.23Å; V76-L105 HydrophobicContact CG2-CD2 3.35Å |
| 77 | G | 87.4 | Confident | 91.7 | Very high | 62 Ų | 62 | 44.2 Ų | 44.2 | 64% | 0.639 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.4 | -18.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | G75 F80 | G75-G77 PolarHBondContact O-N 3.04Å; G77-F80 PolarHBondContact N-O 3.46Å |
| 78 | S | 89.8 | Confident | 91.8 | Very high | 79 Ų | 79 | 45.8 Ų | 45.8 | 55% | 0.552 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.5 | -34.2 | 175.8 | 57.4 | 0 | 0 | 0 | 0 | 113.8 | G75 V76 T92 | G75-S78 PolarHBondContact O-N 2.92Å; G75-S78 PolarHBondContact O-OG 2.83Å; V76-S78 PolarHBondContact O-N 3.23Å; S78-T92 PolarHBondContact O-OG1 3.48Å |
| 79 | V | 91.6 | Very high | 91.8 | Very high | 8 Ų | 8 | 41.7 Ų | 41.7 | 5% | 0.048 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.7 | -48.1 | -177.4 | -171.4 | 0 | 0 | 0 | 0 | 110.1 | G75 V91 T92 K93 L95 | G75-V79 WeakPolarHBondContact O-CA 3.49Å; G75-V79 WeakPolarHBondContact O-CB 3.48Å; G75-V79 PolarHBondContact O-N 2.86Å; V79-V91 HydrophobicContact CG1-CG2 4.31Å; V79-V91 WeakPolarHBondContact O-CA 3.34Å; V79-T92 PolarHBondContact O-N 3.16Å; V79-T92 PolarHBondContact O-OG1 3.29Å; V79-K93 HydrophobicContact CG1-CG 4.43Å; V79-L95 HydrophobicContact CG1-CD2 3.36Å |
| 80 | F | 93.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 134.8 | -179.7 | -55.3 | -72.6 | 0 | 0 | 0 | 111.5 | I53 G75 G77 H90 V91 L95 Y103 L105 I126 | I53-F80 HydrophobicContact CD1-CD1 3.7Å; I53-F80 HydrophobicContact CD1-CE1 3.77Å; G75-F80 PolarHBondContact O-N 2.9Å; G77-F80 PolarHBondContact N-O 3.46Å; F80-H90 WeakPolarHBondContact CA-O 3.46Å; F80-V91 HydrophobicContact CD1-CB 4.21Å; F80-V91 HydrophobicContact CD1-CG2 4.35Å; F80-V91 HydrophobicContact CE1-CB 4.14Å; F80-V91 HydrophobicContact CE1-CG2 4.03Å; F80-L95 HydrophobicContact CE1-CD1 4.39Å; F80-L95 HydrophobicContact CZ-CD1 4.07Å; F80-Y103 AromaticContact CE2-CD1 3.69Å; F80-Y103 HydrophobicContact CE2-CD1 3.69Å; F80-Y103 AromaticContact CE2-CD2 3.83Å; F80-Y103 HydrophobicContact CE2-CD2 3.83Å; F80-Y103 HydrophobicContact CE2-CE1 4.16Å; F80-Y103 HydrophobicContact CE2-CE2 4.32Å; F80-Y103 AromaticContact CE2-CG 3.49Å; F80-Y103 HydrophobicContact CE2-CG 3.49Å; F80-Y103 VanDerWaalsContact CE2-CG 3.49Å; F80-Y103 AromaticContact CZ-CD2 3.87Å; F80-Y103 HydrophobicContact CZ-CD2 3.87Å; F80-Y103 HydrophobicContact CZ-CE2 4.29Å; F80-Y103 HydrophobicContact CZ-CG 4.02Å; F80-L105 HydrophobicContact CD2-CD1 4.19Å; F80-L105 HydrophobicContact CG-CD1 4.41Å; F80-I126 HydrophobicContact CD1-CD1 3.59Å; F80-I126 HydrophobicContact CD2-CD1 4.12Å; F80-I126 HydrophobicContact CE1-CD1 3.49Å; F80-I126 VanDerWaalsContact CE1-CD1 3.49Å; F80-I126 HydrophobicContact CE1-CG2 4.02Å; F80-I126 HydrophobicContact CE2-CD1 4.04Å; F80-I126 HydrophobicContact CG-CD1 3.91Å; F80-I126 HydrophobicContact CZ-CB 4.23Å; F80-I126 HydrophobicContact CZ-CD1 3.73Å; F80-I126 HydrophobicContact CZ-CG2 3.95Å |
| 81 | V | 93.6 | Very high | 91.7 | Very high | 51 Ų | 51 | 41.4 Ų | 41.4 | 31% | 0.309 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 141.8 | 173.4 | -63.9 | 0 | 0 | 0 | 0 | 109.8 | I89 H90 T92 | V81-I89 CarbonylContact O-C 3.56Å; V81-I89 WeakPolarHBondContact O-CA 3.27Å; V81-H90 HydrophobicContact CG2-CB 4.02Å; V81-H90 PolarHBondContact N-O 2.8Å; V81-H90 PolarHBondContact O-N 2.94Å; V81-T92 HydrophobicContact CB-CG2 4.22Å; V81-T92 HydrophobicContact CG1-CG2 3.75Å; V81-T92 HydrophobicContact CG2-CG2 3.5Å |
| 82 | I | 94.4 | Very high | 91.5 | Very high | 36 Ų | 36 | 42.9 Ų | 42.9 | 19% | 0.185 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 135 | 174.3 | -171.1 | 166.5 | 0 | 0 | 0 | 110.3 | L56 L71 G84 N88 I89 | L56-I82 HydrophobicContact CD1-CD1 3.57Å; L56-I82 HydrophobicContact CG-CD1 4.11Å; L71-I82 HydrophobicContact CB-CG2 4.09Å; L71-I82 HydrophobicContact CD1-CB 3.77Å; L71-I82 HydrophobicContact CD1-CD1 4.36Å; L71-I82 HydrophobicContact CD1-CG2 4.15Å; L71-I82 HydrophobicContact CD2-CD1 4.34Å; L71-I82 HydrophobicContact CG-CB 3.86Å; L71-I82 HydrophobicContact CG-CD1 3.92Å; L71-I82 HydrophobicContact CG-CG1 4.49Å; L71-I82 HydrophobicContact CG-CG2 3.79Å; I82-G84 PolarHBondContact O-N 2.8Å; I82-N88 WeakPolarHBondContact CA-O 3.29Å; I82-I89 HydrophobicContact CD1-CG1 4.09Å; I82-I89 HydrophobicContact CG1-CG1 4.28Å |
| 83 | D | 93 | Very high | 91.3 | Very high | 58 Ų | 58 | 41.6 Ų | 41.6 | 31% | 0.31 | 26% | 0.263 | S | S | . | . | trans | -76.2 | 110 | 165.3 | 175.6 | -6 | 0 | 0 | 0 | 109 | N85 T86 G87 N88 | D83-N85 PolarHBondContact O-N 2.78Å; D83-N85 VanDerWaalsContact O-N 3.14Å; D83-N85 WeakPolarHBondContact OD1-CB 3.44Å; D83-N85 PolarHBondContact OD1-N 2.9Å; D83-T86 VanDerWaalsContact CB-OG1 3.24Å; D83-T86 WeakPolarHBondContact CB-OG1 3.45Å; D83-T86 PolarHBondContact O-N 2.91Å; D83-T86 PolarHBondContact OD1-N 3.41Å; D83-T86 VanDerWaalsContact OD2-CG2 3.23Å; D83-T86 WeakPolarHBondContact OD2-CG2 3.26Å; D83-T86 PolarHBondContact OD2-OG1 2.82Å; D83-G87 WeakPolarHBondContact O-CA 3.18Å; D83-G87 PolarHBondContact O-N 2.85Å; D83-N88 HydrophobicContact CB-CB 4.46Å; D83-N88 PolarHBondContact N-O 2.93Å | ||
| 84 | G | 90.9 | Very high | 91.2 | Very high | 17 Ų | 17 | 41.1 Ų | 41.1 | 18% | 0.175 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -12.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | K68 Y69 I82 R112 | K68-G84 WeakPolarHBondContact CA-O 3.42Å; Y69-G84 PolarHBondContact N-O 2.83Å; Y69-G84 VanDerWaalsContact N-O 3.09Å; Y69-G84 VanDerWaalsContact O-CA 3.28Å; Y69-G84 WeakPolarHBondContact O-CA 3.37Å; I82-G84 PolarHBondContact O-N 2.8Å; G84-R112 VanDerWaalsContact C-NH2 3.32Å; G84-R112 PolarHBondContact O-NH2 2.86Å |
| 85 | N | 89.4 | Confident | 91.1 | Very high | 97 Ų | 97 | 37.4 Ų | 37.4 | 52% | 0.519 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -42.5 | 173.2 | -60.2 | -37.6 | 0 | 0 | 0 | 111.7 | D83 R112 | D83-N85 PolarHBondContact O-N 2.78Å; D83-N85 VanDerWaalsContact O-N 3.14Å; D83-N85 WeakPolarHBondContact OD1-CB 3.44Å; D83-N85 PolarHBondContact OD1-N 2.9Å; N85-R112 PolarHBondContact OD1-NH1 2.77Å; N85-R112 PolarHBondContact OD1-NH2 3.15Å |
| 86 | T | 89.7 | Confident | 91.3 | Very high | 42 Ų | 42 | 39 Ų | 39 | 26% | 0.258 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | -22.7 | -170.8 | 60.9 | 0 | 0 | 0 | 0 | 113.3 | R55 D83 N88 | R55-T86 PolarHBondContact NE-O 3.43Å; R55-T86 PolarHBondContact NH2-O 3.2Å; R55-T86 VanDerWaalsContact NH2-O 3.15Å; D83-T86 VanDerWaalsContact CB-OG1 3.24Å; D83-T86 WeakPolarHBondContact CB-OG1 3.45Å; D83-T86 PolarHBondContact O-N 2.91Å; D83-T86 PolarHBondContact OD1-N 3.41Å; D83-T86 VanDerWaalsContact OD2-CG2 3.23Å; D83-T86 WeakPolarHBondContact OD2-CG2 3.26Å; D83-T86 PolarHBondContact OD2-OG1 2.82Å; T86-N88 VanDerWaalsContact C-N 3.25Å; T86-N88 WeakPolarHBondContact OG1-CB 3.11Å; T86-N88 PolarHBondContact OG1-N 2.97Å |
| 87 | G | 89.9 | Confident | 91.3 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | 79.9 | 4.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R55 L56 Y69 D83 I89 | R55-G87 CarbonylContact C-O 3.55Å; R55-G87 WeakPolarHBondContact CA-O 3.36Å; L56-G87 PolarHBondContact N-O 3.33Å; Y69-G87 VanDerWaalsContact CD2-CA 3.43Å; D83-G87 WeakPolarHBondContact O-CA 3.18Å; D83-G87 PolarHBondContact O-N 2.85Å; G87-I89 PolarHBondContact O-N 3.24Å | ||
| 88 | N | 92.7 | Very high | 91.5 | Very high | 38 Ų | 38 | 38.2 Ų | 38.2 | 20% | 0.203 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 122.6 | 179.8 | -74.7 | -8.4 | 0 | 0 | 0 | 110.8 | L52 R55 I82 D83 T86 H90 | L52-N88 HydrophobicContact CD1-CB 3.54Å; R55-N88 WeakPolarHBondContact CD-OD1 3.19Å; R55-N88 VanDerWaalsContact CG-OD1 3.27Å; R55-N88 WeakPolarHBondContact CG-OD1 3.47Å; I82-N88 WeakPolarHBondContact CA-O 3.29Å; D83-N88 HydrophobicContact CB-CB 4.46Å; D83-N88 PolarHBondContact N-O 2.93Å; T86-N88 VanDerWaalsContact C-N 3.25Å; T86-N88 WeakPolarHBondContact OG1-CB 3.11Å; T86-N88 PolarHBondContact OG1-N 2.97Å; N88-H90 PolarHBondContact O-ND1 2.99Å |
| 89 | I | 92.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 127.6 | 176 | -50.3 | 177.6 | 0 | 0 | 0 | 108.1 | F39 I53 G54 L56 L71 V81 I82 G87 F124 | F39-I89 HydrophobicContact CE2-CD1 4.13Å; F39-I89 HydrophobicContact CZ-CD1 4.4Å; I53-I89 HydrophobicContact CD1-CB 4.49Å; I53-I89 HydrophobicContact CD1-CG2 3.77Å; I53-I89 HydrophobicContact CG1-CB 4.02Å; I53-I89 HydrophobicContact CG1-CG2 3.8Å; I53-I89 WeakPolarHBondContact CG1-O 3.35Å; I53-I89 PolarHBondContact N-O 3.25Å; G54-I89 PolarHBondContact O-N 3.05Å; L56-I89 HydrophobicContact CD1-CD1 4.49Å; L56-I89 HydrophobicContact CD2-CD1 4.16Å; L56-I89 HydrophobicContact CG-CD1 3.97Å; L56-I89 HydrophobicContact CG-CG1 4.39Å; L71-I89 HydrophobicContact CD1-CD1 4.14Å; L71-I89 HydrophobicContact CD1-CG1 4.1Å; L71-I89 HydrophobicContact CD1-CG2 3.86Å; L71-I89 HydrophobicContact CD2-CD1 4.35Å; V81-I89 CarbonylContact O-C 3.56Å; V81-I89 WeakPolarHBondContact O-CA 3.27Å; I82-I89 HydrophobicContact CD1-CG1 4.09Å; I82-I89 HydrophobicContact CG1-CG1 4.28Å; G87-I89 PolarHBondContact O-N 3.24Å; I89-F124 HydrophobicContact CD1-CE2 4.31Å; I89-F124 HydrophobicContact CD1-CZ 3.96Å |
| 90 | H | 91.8 | Very high | 91.7 | Very high | 41 Ų | 41 | 44.3 Ų | 44.3 | 19% | 0.19 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 145 | 174.9 | -51.3 | 75.4 | 0 | 0 | 0 | 111.5 | P50 V51 F80 V81 N88 | P50-H90 HydrophobicContact CB-CB 3.83Å; P50-H90 HydrophobicContact CG-CB 4.37Å; V51-H90 CarbonylContact O-C 3.55Å; V51-H90 WeakPolarHBondContact O-CA 3.38Å; V51-H90 WeakPolarHBondContact O-CB 3.37Å; F80-H90 WeakPolarHBondContact CA-O 3.46Å; V81-H90 HydrophobicContact CG2-CB 4.02Å; V81-H90 PolarHBondContact N-O 2.8Å; V81-H90 PolarHBondContact O-N 2.94Å; N88-H90 PolarHBondContact O-ND1 2.99Å |
| 91 | V | 92.6 | Very high | 91.6 | Very high | 7 Ų | 7 | 48.1 Ų | 48.1 | 4% | 0.042 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 137.6 | 164.4 | 65 | 0 | 0 | 0 | 0 | 108.9 | V41 P50 V51 I53 V79 F80 K93 L95 | V41-V91 HydrophobicContact CG1-CG1 4.14Å; P50-V91 CarbonylContact C-O 3.57Å; P50-V91 VanDerWaalsContact CA-O 3.26Å; P50-V91 WeakPolarHBondContact CA-O 3.38Å; P50-V91 WeakPolarHBondContact CB-O 3.19Å; V51-V91 HydrophobicContact CB-CG1 3.7Å; V51-V91 HydrophobicContact CG2-CG1 4.37Å; V51-V91 PolarHBondContact N-O 2.72Å; V51-V91 PolarHBondContact O-N 2.81Å; I53-V91 HydrophobicContact CG2-CB 4.12Å; I53-V91 HydrophobicContact CG2-CG1 3.69Å; V79-V91 HydrophobicContact CG1-CG2 4.31Å; V79-V91 WeakPolarHBondContact O-CA 3.34Å; F80-V91 HydrophobicContact CD1-CB 4.21Å; F80-V91 HydrophobicContact CD1-CG2 4.35Å; F80-V91 HydrophobicContact CE1-CB 4.14Å; F80-V91 HydrophobicContact CE1-CG2 4.03Å; V91-K93 VanDerWaalsContact CG2-O 3.28Å; V91-K93 WeakPolarHBondContact CG2-O 3.43Å; V91-L95 HydrophobicContact CG2-CD1 4.12Å; V91-L95 HydrophobicContact CG2-CD2 4.09Å; V91-L95 HydrophobicContact CG2-CG 4.08Å |
| 92 | T | 89.6 | Confident | 91.6 | Very high | 44 Ų | 44 | 47.4 Ų | 47.4 | 27% | 0.27 | 25% | 0.247 | S | C | . | . | trans | -108.3 | -6.8 | -168.6 | 54.2 | 0 | 0 | 0 | 0 | 114.6 | P50 S78 V79 V81 | P50-T92 HydrophobicContact CB-CG2 4.26Å; S78-T92 PolarHBondContact O-OG1 3.48Å; V79-T92 PolarHBondContact O-N 3.16Å; V79-T92 PolarHBondContact O-OG1 3.29Å; V81-T92 HydrophobicContact CB-CG2 4.22Å; V81-T92 HydrophobicContact CG1-CG2 3.75Å; V81-T92 HydrophobicContact CG2-CG2 3.5Å | ||
| 93 | K | 88.6 | Confident | 91.6 | Very high | 88 Ų | 88 | 46.5 Ų | 46.5 | 38% | 0.383 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -147.5 | 158 | 175.9 | 62.8 | 168 | -162.9 | 161.5 | 0 | 109.9 | E49 V79 V91 L95 | E49-K93 VanDerWaalsContact OE1-C 3.25Å; E49-K93 WeakPolarHBondContact OE1-CA 3.35Å; V79-K93 HydrophobicContact CG1-CG 4.43Å; V91-K93 VanDerWaalsContact CG2-O 3.28Å; V91-K93 WeakPolarHBondContact CG2-O 3.43Å; K93-L95 HydrophobicContact CG-CD2 4.35Å |
| 94 | A | 89.6 | Confident | 91.6 | Very high | 41 Ų | 41 | 50.1 Ų | 50.1 | 34% | 0.339 | 25% | 0.251 | S | S | . | . | trans | -55.5 | 142.3 | 164.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | E49 | E49-A94 PolarHBondContact OE1-N 3.44Š| ||
| 95 | L | 92.1 | Very high | 91.7 | Very high | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | trans | -111.1 | 152.6 | 176.1 | -52.4 | -176.3 | 0 | 0 | 0 | 108.6 | V41 E43 E44 V79 F80 V91 K93 Y103 V128 | V41-L95 HydrophobicContact CB-CD1 4.25Å; V41-L95 HydrophobicContact CG1-CD1 3.93Å; E43-L95 CarbonylContact C-O 3.59Å; E43-L95 VanDerWaalsContact CA-O 3.31Å; E43-L95 WeakPolarHBondContact CA-O 3.48Å; E43-L95 VanDerWaalsContact CB-O 3.3Å; E43-L95 WeakPolarHBondContact CB-O 3.37Å; E44-L95 PolarHBondContact N-O 2.84Å; V79-L95 HydrophobicContact CG1-CD2 3.36Å; F80-L95 HydrophobicContact CE1-CD1 4.39Å; F80-L95 HydrophobicContact CZ-CD1 4.07Å; V91-L95 HydrophobicContact CG2-CD1 4.12Å; V91-L95 HydrophobicContact CG2-CD2 4.09Å; V91-L95 HydrophobicContact CG2-CG 4.08Å; K93-L95 HydrophobicContact CG-CD2 4.35Å; L95-Y103 HydrophobicContact CD1-CE2 4.28Å; L95-V128 HydrophobicContact CB-CG1 4.25Å; L95-V128 HydrophobicContact CB-CG2 4.37Å; L95-V128 HydrophobicContact CD1-CG2 3.9Å | ||
| 96 | D | 91.9 | Very high | 91.9 | Very high | 53 Ų | 53 | 46.5 Ų | 46.5 | 28% | 0.283 | 23% | 0.228 | S | C | . | . | trans | -123.7 | 123.7 | 174.9 | 167.6 | -12.6 | 0 | 0 | 0 | 106.1 | E98 E99 K100 | D96-E98 WeakPolarHBondContact OD1-CA 3.38Å; D96-E98 WeakPolarHBondContact OD1-CB 3.47Å; D96-E98 PolarHBondContact OD1-N 3.35Å; D96-E99 HydrophobicContact CB-CB 4.07Å; D96-E99 PolarHBondContact OD1-N 3.37Å; D96-K100 PolarHBondContact O-N 2.89Å | ||
| 97 | R | 92.9 | Very high | 91.9 | Very high | 36 Ų | 36 | 44.8 Ų | 44.8 | 14% | 0.136 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -35.3 | -177.5 | -170.1 | -154.8 | 64.9 | 74.5 | -1.3 | 111 | E43 E99 K100 D101 V128 D130 A165 D166 | E43-R97 WeakPolarHBondContact OE2-CB 3.34Å; E43-R97 PolarHBondContact OE2-N 2.79Å; R97-E99 PolarHBondContact O-N 2.97Å; R97-K100 CarbonylContact O-C 3.59Å; R97-K100 PolarHBondContact O-N 3.14Å; R97-D101 HydrophobicContact CG-CB 3.98Å; R97-D101 PolarHBondContact O-N 2.73Å; R97-V128 HydrophobicContact CB-CB 4.3Å; R97-V128 HydrophobicContact CB-CG1 3.87Å; R97-V128 HydrophobicContact CG-CB 4.26Å; R97-V128 HydrophobicContact CG-CG1 4.34Å; R97-D130 IonicContact CZ-OD1 2.81Å; R97-D130 IonicContact NE-OD1 3.87Å; R97-D130 PolarHBondContact NE-OD1 2.7Å; R97-D130 IonicContact NH2-OD1 3.76Å; R97-A165 PolarHBondContact NH2-O 2.83Å; R97-D166 VanDerWaalsContact NH2-CA 3.34Å |
| 98 | E | 92.5 | Very high | 92 | Very high | 61 Ų | 61 | 46 Ų | 46 | 29% | 0.285 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -30.6 | 175.3 | -70.6 | 69 | -114.4 | 0 | 0 | 111.2 | D96 N134 A165 | D96-E98 WeakPolarHBondContact OD1-CA 3.38Å; D96-E98 WeakPolarHBondContact OD1-CB 3.47Å; D96-E98 PolarHBondContact OD1-N 3.35Å; E98-N134 PolarHBondContact OE2-ND2 3.12Å; E98-A165 HydrophobicContact CG-CB 3.89Å |
| 99 | E | 92.4 | Very high | 92 | Very high | 148 Ų | 148 | 44.6 Ų | 44.6 | 69% | 0.692 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -50.7 | 169 | -169.2 | -173.6 | -179.9 | 0 | 0 | 111.7 | D96 R97 | D96-E99 HydrophobicContact CB-CB 4.07Å; D96-E99 PolarHBondContact OD1-N 3.37Å; R97-E99 PolarHBondContact O-N 2.97Å |
| 100 | K | 92.7 | Very high | 92 | Very high | 67 Ų | 67 | 45.7 Ų | 45.7 | 29% | 0.291 | 23% | 0.226 | S | C | . | . | trans | -157.3 | 117.3 | -179.7 | -174.6 | 160 | 177.4 | 162.2 | 0 | 113.6 | E74 D96 R97 E102 Y103 V128 | E74-K100 IonicContact OE1-NZ 2.75Å; E74-K100 WeakPolarHBondContact OE2-CE 3.28Å; E74-K100 IonicContact OE2-NZ 3.07Å; E74-K100 PolarHBondContact OE2-NZ 2.82Å; D96-K100 PolarHBondContact O-N 2.89Å; R97-K100 CarbonylContact O-C 3.59Å; R97-K100 PolarHBondContact O-N 3.14Å; K100-E102 WeakPolarHBondContact CE-O 2.96Å; K100-Y103 HydrophobicContact CD-CD1 4.31Å; K100-Y103 HydrophobicContact CD-CE1 3.79Å; K100-Y103 HydrophobicContact CD-CE2 4.36Å; K100-Y103 HydrophobicContact CG-CE1 4.43Å; K100-Y103 HydrophobicContact CG-CE2 4.11Å; K100-V128 WeakPolarHBondContact O-CG2 3.14Å | ||
| 101 | D | 91.3 | Very high | 92 | Very high | 81 Ų | 81 | 45 Ų | 45 | 43% | 0.433 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -86.5 | -26 | -172 | 67.7 | -22 | 0 | 0 | 0 | 115.5 | R97 V128 | R97-D101 HydrophobicContact CG-CB 3.98Å; R97-D101 PolarHBondContact O-N 2.73Å; D101-V128 PolarHBondContact O-N 2.87Å |
| 102 | E | 93.4 | Very high | 91.7 | Very high | 36 Ų | 36 | 50 Ų | 50 | 17% | 0.168 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 149.4 | 177.6 | 65.2 | 172.1 | -136.5 | 0 | 0 | 114.8 | K100 R104 I125 I126 R127 | K100-E102 WeakPolarHBondContact CE-O 2.96Å; E102-R104 IonicContact OE1-CZ 2.76Å; E102-R104 IonicContact OE1-NE 3.96Å; E102-R104 PolarHBondContact OE1-NE 2.8Å; E102-R104 IonicContact OE1-NH2 3.47Å; E102-R104 PolarHBondContact OE1-NH2 2.83Å; E102-R104 IonicContact OE2-NH2 2.95Å; E102-I125 HydrophobicContact CB-CG2 3.83Å; E102-I126 WeakPolarHBondContact CA-O 3.43Å; E102-R127 IonicContact OE2-CZ 2.73Å; E102-R127 IonicContact OE2-NH1 3.22Å; E102-R127 PolarHBondContact OE2-NH1 3.38Å; E102-R127 IonicContact OE2-NH2 3.91Å; E102-R127 PolarHBondContact OE2-NH2 3.39Å |
| 103 | Y | 93.8 | Very high | 91.5 | Very high | 17 Ų | 17 | 54.4 Ų | 54.4 | 7% | 0.067 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 128.6 | 173.7 | -64.9 | -99.1 | 0 | 0 | 0 | 110.3 | E74 F80 L95 K100 I125 I126 V128 | E74-Y103 HydrophobicContact CB-CD1 4.2Å; F80-Y103 AromaticContact CE2-CD1 3.69Å; F80-Y103 HydrophobicContact CE2-CD1 3.69Å; F80-Y103 AromaticContact CE2-CD2 3.83Å; F80-Y103 HydrophobicContact CE2-CD2 3.83Å; F80-Y103 HydrophobicContact CE2-CE1 4.16Å; F80-Y103 HydrophobicContact CE2-CE2 4.32Å; F80-Y103 AromaticContact CE2-CG 3.49Å; F80-Y103 HydrophobicContact CE2-CG 3.49Å; F80-Y103 VanDerWaalsContact CE2-CG 3.49Å; F80-Y103 AromaticContact CZ-CD2 3.87Å; F80-Y103 HydrophobicContact CZ-CD2 3.87Å; F80-Y103 HydrophobicContact CZ-CE2 4.29Å; F80-Y103 HydrophobicContact CZ-CG 4.02Å; L95-Y103 HydrophobicContact CD1-CE2 4.28Å; K100-Y103 HydrophobicContact CD-CD1 4.31Å; K100-Y103 HydrophobicContact CD-CE1 3.79Å; K100-Y103 HydrophobicContact CD-CE2 4.36Å; K100-Y103 HydrophobicContact CG-CE1 4.43Å; K100-Y103 HydrophobicContact CG-CE2 4.11Å; Y103-I125 CarbonylContact O-C 3.49Å; Y103-I125 WeakPolarHBondContact O-CA 3.01Å; Y103-I126 PolarHBondContact N-O 2.74Å; Y103-I126 PolarHBondContact O-N 2.99Å; Y103-V128 HydrophobicContact CD2-CG2 4.36Å; Y103-V128 HydrophobicContact CE2-CG2 4.03Å |
| 104 | R | 93.5 | Very high | 91.4 | Very high | 134 Ų | 134 | 54.1 Ų | 54.1 | 51% | 0.506 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 121.3 | 179 | -68.4 | 173.8 | 179.3 | -96.9 | -3.5 | 110.2 | E74 E102 I125 | E74-R104 PolarHBondContact N-O 2.84Å; E102-R104 IonicContact OE1-CZ 2.76Å; E102-R104 IonicContact OE1-NE 3.96Å; E102-R104 PolarHBondContact OE1-NE 2.8Å; E102-R104 IonicContact OE1-NH2 3.47Å; E102-R104 PolarHBondContact OE1-NH2 2.83Å; E102-R104 IonicContact OE2-NH2 2.95Å; R104-I125 HydrophobicContact CG-CG1 4.28Å |
| 105 | L | 92.5 | Very high | 91.1 | Very high | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 152.6 | -173.3 | -66.1 | -179.7 | 0 | 0 | 0 | 111.5 | E72 E74 V76 F80 E123 F124 I126 | E72-L105 WeakPolarHBondContact O-CA 3.44Å; E74-L105 WeakPolarHBondContact O-CD2 3.34Å; V76-L105 HydrophobicContact CG2-CD2 3.35Å; F80-L105 HydrophobicContact CD2-CD1 4.19Å; F80-L105 HydrophobicContact CG-CD1 4.41Å; L105-E123 CarbonylContact O-C 3.53Å; L105-E123 WeakPolarHBondContact O-CA 3.21Å; L105-F124 HydrophobicContact CB-CD1 4.27Å; L105-F124 HydrophobicContact CB-CD2 4.45Å; L105-F124 HydrophobicContact CB-CE1 3.72Å; L105-F124 HydrophobicContact CB-CE2 3.97Å; L105-F124 HydrophobicContact CB-CZ 3.57Å; L105-F124 HydrophobicContact CD1-CE2 3.86Å; L105-F124 HydrophobicContact CD1-CZ 3.72Å; L105-F124 HydrophobicContact CG-CE2 4.49Å; L105-F124 HydrophobicContact CG-CZ 4.3Å; L105-F124 PolarHBondContact N-O 2.98Å; L105-F124 PolarHBondContact O-N 2.91Å; L105-F124 VanDerWaalsContact O-O 3.11Å; L105-I126 HydrophobicContact CD1-CD1 3.35Å; L105-I126 HydrophobicContact CD1-CG1 3.92Å |
| 106 | T | 92.7 | Very high | 91 | Very high | 35 Ų | 35 | 63.4 Ų | 63.4 | 22% | 0.215 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 122.8 | 173.9 | -51.8 | 0 | 0 | 0 | 0 | 109.5 | E72 S122 | E72-T106 PolarHBondContact N-O 3.02Å; E72-T106 PolarHBondContact O-N 3.38Å; T106-S122 CarbonylContact C-O 3.47Å; T106-S122 WeakPolarHBondContact CA-O 3.22Å |
| 107 | A | 91.5 | Very high | 90.8 | Very high | 6 Ų | 6 | 64.5 Ų | 64.5 | 5% | 0.05 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 136.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111 | L56 L71 S121 S122 F124 | L56-A107 HydrophobicContact CD1-CB 3.49Å; L56-A107 VanDerWaalsContact CD1-CB 3.49Å; L56-A107 HydrophobicContact CD2-CB 4.16Å; L56-A107 HydrophobicContact CG-CB 4.49Å; L71-A107 HydrophobicContact CD2-CB 4.32Å; A107-S121 WeakPolarHBondContact O-CA 3.17Å; A107-S122 PolarHBondContact N-O 2.74Å; A107-S122 PolarHBondContact O-N 3Å; A107-F124 HydrophobicContact CB-CD1 4.08Å; A107-F124 HydrophobicContact CB-CE1 3.8Å |
| 108 | T | 92.2 | Very high | 90.6 | Very high | 27 Ų | 27 | 64.5 Ų | 64.5 | 17% | 0.166 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 147.7 | 168.7 | 60.7 | 0 | 0 | 0 | 0 | 111.3 | M70 | M70-T108 WeakPolarHBondContact CE-OG1 3.38Å; M70-T108 PolarHBondContact N-O 2.91Å; M70-T108 PolarHBondContact O-N 2.82Å |
| 109 | A | 92.8 | Very high | 90.3 | Very high | 8 Ų | 8 | 63 Ų | 63 | 7% | 0.066 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 121.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | T58 K68 Y69 L118 | T58-A109 HydrophobicContact CG2-CB 4.17Å; K68-A109 WeakPolarHBondContact O-CA 3.4Å; Y69-A109 HydrophobicContact CD1-CB 4.11Å; Y69-A109 HydrophobicContact CE1-CB 4.16Å; A109-L118 PolarHBondContact O-N 3.02Å |
| 110 | T | 92.7 | Very high | 90.1 | Very high | 22 Ų | 22 | 60 Ų | 60 | 14% | 0.135 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 153 | -177.4 | 57.8 | 0 | 0 | 0 | 0 | 111.6 | K68 M70 R116 | K68-T110 PolarHBondContact N-O 3.42Å; K68-T110 PolarHBondContact O-N 2.93Å; M70-T110 HydrophobicContact CE-CG2 4.02Å; T110-R116 CarbonylContact C-O 3.57Å; T110-R116 VanDerWaalsContact CA-O 3.29Å; T110-R116 WeakPolarHBondContact CA-O 3.38Å |
| 111 | D | 90.9 | Very high | 89.9 | Confident | 26 Ų | 26 | 60.7 Ų | 60.7 | 14% | 0.139 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 127.5 | 169.7 | 179.8 | -67.6 | 0 | 0 | 0 | 109.2 | E113 T114 G115 R116 L118 | D111-E113 VanDerWaalsContact C-N 3.32Å; D111-E113 PolarHBondContact O-N 2.91Å; D111-E113 WeakPolarHBondContact OD1-CA 3.42Å; D111-E113 WeakPolarHBondContact OD1-CB 3.39Å; D111-E113 PolarHBondContact OD1-N 2.95Å; D111-T114 WeakPolarHBondContact CB-OG1 3.3Å; D111-T114 PolarHBondContact OD1-N 3.12Å; D111-T114 PolarHBondContact OD1-OG1 2.9Å; D111-G115 WeakPolarHBondContact O-CA 3.31Å; D111-G115 PolarHBondContact O-N 3.42Å; D111-R116 PolarHBondContact N-O 3.27Å; D111-L118 HydrophobicContact CB-CD1 4.41Å; D111-L118 HydrophobicContact CB-CD2 4Å; D111-L118 HydrophobicContact CB-CG 4.18Å |
| 112 | R | 87.2 | Confident | 89.7 | Confident | 114 Ų | 114 | 58 Ų | 58 | 43% | 0.43 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -30.1 | -175.9 | -75.2 | 178.9 | -175 | -117.7 | -8.6 | 114.4 | G65 R66 T67 K68 G84 N85 | G65-R112 VanDerWaalsContact O-CD 3.28Å; G65-R112 WeakPolarHBondContact O-CD 3.34Å; G65-R112 PolarHBondContact O-NE 2.88Å; R66-R112 WeakPolarHBondContact O-CB 3.26Å; R66-R112 WeakPolarHBondContact O-CG 3.39Å; R66-R112 PolarHBondContact O-N 3.28Å; T67-R112 PolarHBondContact O-NE 2.88Å; T67-R112 VanDerWaalsContact O-NE 3.08Å; K68-R112 HydrophobicContact CB-CG 3.74Å; G84-R112 VanDerWaalsContact C-NH2 3.32Å; G84-R112 PolarHBondContact O-NH2 2.86Å; N85-R112 PolarHBondContact OD1-NH1 2.77Å; N85-R112 PolarHBondContact OD1-NH2 3.15Å |
| 113 | E | 85.3 | Confident | 89.5 | Confident | 136 Ų | 136 | 63.5 Ų | 63.5 | 64% | 0.636 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -40.7 | -175.7 | -176.2 | 175.7 | -158.8 | 0 | 0 | 110.5 | R66 D111 | R66-E113 IonicContact CZ-OE2 3.28Å; R66-E113 IonicContact NH1-OE2 3.1Å; R66-E113 PolarHBondContact NH1-OE2 2.95Å; R66-E113 IonicContact NH2-OE1 3.1Å; R66-E113 IonicContact NH2-OE2 2.67Å; R66-E113 PolarHBondContact NH2-OE2 3.18Å; D111-E113 VanDerWaalsContact C-N 3.32Å; D111-E113 PolarHBondContact O-N 2.91Å; D111-E113 WeakPolarHBondContact OD1-CA 3.42Å; D111-E113 WeakPolarHBondContact OD1-CB 3.39Å; D111-E113 PolarHBondContact OD1-N 2.95Å |
| 114 | T | 85.6 | Confident | 89.3 | Confident | 81 Ų | 81 | 63.1 Ų | 63.1 | 50% | 0.497 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -14.3 | -173.6 | 64 | 0 | 0 | 0 | 0 | 114.1 | D111 R116 | D111-T114 WeakPolarHBondContact CB-OG1 3.3Å; D111-T114 PolarHBondContact OD1-N 3.12Å; D111-T114 PolarHBondContact OD1-OG1 2.9Å; T114-R116 PolarHBondContact O-N 3.26Å; T114-R116 VanDerWaalsContact O-N 3.15Å; T114-R116 PolarHBondContact OG1-N 3.13Å |
| 115 | G | 84.2 | Confident | 89.2 | Confident | 54 Ų | 54 | 57.9 Ų | 57.9 | 56% | 0.557 | 32% | 0.32 | S | S | * | . | trans | 66.7 | 4.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | D111 | D111-G115 WeakPolarHBondContact O-CA 3.31Å; D111-G115 PolarHBondContact O-N 3.42Å | ||
| 116 | R | 88.8 | Confident | 89.2 | Confident | 187 Ų | 187 | 57.8 Ų | 57.8 | 71% | 0.706 | 32% | 0.32 | S | S | * | . | trans | -74 | 139.5 | -177 | -70.4 | -176.2 | 176.8 | -169.2 | 0.2 | 110.6 | T110 D111 T114 L118 | T110-R116 CarbonylContact C-O 3.57Å; T110-R116 VanDerWaalsContact CA-O 3.29Å; T110-R116 WeakPolarHBondContact CA-O 3.38Å; D111-R116 PolarHBondContact N-O 3.27Å; T114-R116 PolarHBondContact O-N 3.26Å; T114-R116 VanDerWaalsContact O-N 3.15Å; T114-R116 PolarHBondContact OG1-N 3.13Å; R116-L118 PolarHBondContact O-N 2.98Å | ||
| 117 | A | 88.4 | Confident | 89.1 | Confident | 76 Ų | 76 | 60 Ų | 60 | 63% | 0.628 | 32% | 0.324 | S | S | * | . | B | Isolated β-bridge | trans | -61.4 | 122 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 118 | L | 88 | Confident | 89.2 | Confident | 36 Ų | 36 | 60.3 Ų | 60.3 | 19% | 0.188 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -78.2 | -33.3 | 175.1 | -68.8 | 171.1 | 0 | 0 | 0 | 110.5 | M60 T67 A109 D111 R116 | M60-L118 HydrophobicContact CB-CB 4.44Å; T67-L118 HydrophobicContact CG2-CD1 3.93Å; A109-L118 PolarHBondContact O-N 3.02Å; D111-L118 HydrophobicContact CB-CD1 4.41Å; D111-L118 HydrophobicContact CB-CD2 4Å; D111-L118 HydrophobicContact CB-CG 4.18Å; R116-L118 PolarHBondContact O-N 2.98Å |
| 119 | E | 86.8 | Confident | 89 | Confident | 30 Ų | 30 | 61 Ų | 61 | 14% | 0.14 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -134.1 | 158.5 | 176.3 | -69.2 | -59.4 | 161.3 | 0 | 0 | 111 | T58 | T58-E119 WeakPolarHBondContact OG1-CG 3.36Š|
| 120 | P | 87 | Confident | 88.7 | Confident | 84 Ų | 84 | 61 Ų | 61 | 55% | 0.545 | 33% | 0.325 | S | S | . | . | trans | -57.6 | 149.2 | 167.6 | -16.5 | 29.3 | 0 | 0 | 0 | 111 | S122 | P120-S122 PolarHBondContact O-N 3.25Š| ||
| 121 | S | 88.4 | Confident | 88.4 | Confident | 83 Ų | 83 | 63 Ų | 63 | 58% | 0.58 | 34% | 0.335 | S | S | * | . | trans | -58.1 | 137.1 | 169 | 53.7 | 0 | 0 | 0 | 0 | 110.3 | A107 | A107-S121 WeakPolarHBondContact O-CA 3.17Š| ||
| 122 | S | 87.1 | Confident | 88.3 | Confident | 24 Ų | 24 | 63.2 Ų | 63.2 | 17% | 0.168 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 126.1 | 179.3 | -169.6 | 0 | 0 | 0 | 0 | 110.4 | T106 A107 P120 | T106-S122 CarbonylContact C-O 3.47Å; T106-S122 WeakPolarHBondContact CA-O 3.22Å; A107-S122 PolarHBondContact N-O 2.74Å; A107-S122 PolarHBondContact O-N 3Å; P120-S122 PolarHBondContact O-N 3.25Å |
| 123 | E | 90.3 | Very high | 88.2 | Confident | 151 Ų | 151 | 61 Ų | 61 | 71% | 0.706 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 140.9 | 170.2 | -68.4 | -178.6 | -179 | 0 | 0 | 110.8 | L105 | L105-E123 CarbonylContact O-C 3.53Å; L105-E123 WeakPolarHBondContact O-CA 3.21Å |
| 124 | F | 89.7 | Confident | 88.4 | Confident | 10 Ų | 10 | 56.8 Ų | 56.8 | 4% | 0.044 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 161.3 | 172.5 | 69.9 | -85 | 0 | 0 | 0 | 109.9 | N37 F39 L71 I89 L105 A107 I126 | N37-F124 WeakPolarHBondContact O-CA 3.43Å; N37-F124 WeakPolarHBondContact O-CB 3.47Å; F39-F124 AromaticContact CD2-CD2 3.42Å; F39-F124 HydrophobicContact CD2-CD2 3.42Å; F39-F124 VanDerWaalsContact CD2-CD2 3.42Å; F39-F124 AromaticContact CD2-CE2 3.49Å; F39-F124 HydrophobicContact CD2-CE2 3.49Å; F39-F124 VanDerWaalsContact CD2-CE2 3.49Å; F39-F124 HydrophobicContact CD2-CG 4.38Å; F39-F124 AromaticContact CE2-CD2 3.66Å; F39-F124 HydrophobicContact CE2-CD2 3.66Å; F39-F124 AromaticContact CE2-CE2 3.69Å; F39-F124 HydrophobicContact CE2-CE2 3.69Å; F39-F124 HydrophobicContact CE2-CG 4.25Å; F39-F124 HydrophobicContact CE2-CZ 4.36Å; L71-F124 HydrophobicContact CD2-CE1 3.62Å; L71-F124 HydrophobicContact CD2-CZ 3.58Å; I89-F124 HydrophobicContact CD1-CE2 4.31Å; I89-F124 HydrophobicContact CD1-CZ 3.96Å; L105-F124 HydrophobicContact CB-CD1 4.27Å; L105-F124 HydrophobicContact CB-CD2 4.45Å; L105-F124 HydrophobicContact CB-CE1 3.72Å; L105-F124 HydrophobicContact CB-CE2 3.97Å; L105-F124 HydrophobicContact CB-CZ 3.57Å; L105-F124 HydrophobicContact CD1-CE2 3.86Å; L105-F124 HydrophobicContact CD1-CZ 3.72Å; L105-F124 HydrophobicContact CG-CE2 4.49Å; L105-F124 HydrophobicContact CG-CZ 4.3Å; L105-F124 PolarHBondContact N-O 2.98Å; L105-F124 PolarHBondContact O-N 2.91Å; L105-F124 VanDerWaalsContact O-O 3.11Å; A107-F124 HydrophobicContact CB-CD1 4.08Å; A107-F124 HydrophobicContact CB-CE1 3.8Å; F124-I126 HydrophobicContact CD2-CG1 4.24Å; F124-I126 HydrophobicContact CE2-CD1 4.1Å; F124-I126 HydrophobicContact CE2-CG1 3.75Å |
| 125 | I | 91.8 | Very high | 88.7 | Confident | 24 Ų | 24 | 56 Ų | 56 | 12% | 0.123 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 137.1 | -179 | -56.6 | 178.3 | 0 | 0 | 0 | 108.7 | N37 Q38 F39 E102 Y103 R104 R127 | N37-I125 PolarHBondContact O-N 2.85Å; Q38-I125 CarbonylContact C-O 3.59Å; Q38-I125 WeakPolarHBondContact CA-O 3.33Å; Q38-I125 HydrophobicContact CG-CB 4.44Å; F39-I125 PolarHBondContact N-O 2.79Å; E102-I125 HydrophobicContact CB-CG2 3.83Å; Y103-I125 CarbonylContact O-C 3.49Å; Y103-I125 WeakPolarHBondContact O-CA 3.01Å; R104-I125 HydrophobicContact CG-CG1 4.28Å; I125-R127 HydrophobicContact CG2-CG 3.99Å |
| 126 | I | 91.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 114.1 | 162.7 | -55.7 | -178.5 | 0 | 0 | 0 | 106.7 | F39 V41 I53 F80 E102 Y103 L105 F124 | F39-I126 HydrophobicContact CB-CG1 4.32Å; F39-I126 WeakPolarHBondContact O-CA 3.48Å; V41-I126 HydrophobicContact CB-CG2 4.4Å; V41-I126 HydrophobicContact CG2-CG2 3.57Å; I53-I126 HydrophobicContact CD1-CD1 3.66Å; I53-I126 HydrophobicContact CD1-CG2 4.37Å; F80-I126 HydrophobicContact CD1-CD1 3.59Å; F80-I126 HydrophobicContact CD2-CD1 4.12Å; F80-I126 HydrophobicContact CE1-CD1 3.49Å; F80-I126 VanDerWaalsContact CE1-CD1 3.49Å; F80-I126 HydrophobicContact CE1-CG2 4.02Å; F80-I126 HydrophobicContact CE2-CD1 4.04Å; F80-I126 HydrophobicContact CG-CD1 3.91Å; F80-I126 HydrophobicContact CZ-CB 4.23Å; F80-I126 HydrophobicContact CZ-CD1 3.73Å; F80-I126 HydrophobicContact CZ-CG2 3.95Å; E102-I126 WeakPolarHBondContact CA-O 3.43Å; Y103-I126 PolarHBondContact N-O 2.74Å; Y103-I126 PolarHBondContact O-N 2.99Å; L105-I126 HydrophobicContact CD1-CD1 3.35Å; L105-I126 HydrophobicContact CD1-CG1 3.92Å; F124-I126 HydrophobicContact CD2-CG1 4.24Å; F124-I126 HydrophobicContact CE2-CD1 4.1Å; F124-I126 HydrophobicContact CE2-CG1 3.75Å |
| 127 | R | 91.8 | Very high | 89.5 | Confident | 82 Ų | 82 | 49.6 Ų | 49.6 | 31% | 0.309 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 132.2 | 174.6 | -70.6 | -171.8 | 172.6 | -73.8 | -24.3 | 109.6 | F39 F40 V41 E102 I125 | F39-R127 PolarHBondContact O-N 2.7Å; F40-R127 WeakPolarHBondContact CA-O 3.18Å; F40-R127 HydrophobicContact CD1-CB 3.82Å; F40-R127 HydrophobicContact CE1-CB 3.9Å; F40-R127 HydrophobicContact CE1-CG 4.42Å; V41-R127 PolarHBondContact N-O 2.97Å; E102-R127 IonicContact OE2-CZ 2.73Å; E102-R127 IonicContact OE2-NH1 3.22Å; E102-R127 PolarHBondContact OE2-NH1 3.38Å; E102-R127 IonicContact OE2-NH2 3.91Å; E102-R127 PolarHBondContact OE2-NH2 3.39Å; I125-R127 HydrophobicContact CG2-CG 3.99Å |
| 128 | V | 91.9 | Very high | 89.9 | Confident | 11 Ų | 11 | 46.8 Ų | 46.8 | 7% | 0.067 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 126 | 170.4 | -172.3 | 0 | 0 | 0 | 0 | 107.7 | V41 E43 L95 R97 K100 D101 Y103 | V41-V128 CarbonylContact O-C 3.5Å; V41-V128 VanDerWaalsContact O-CA 3.26Å; V41-V128 WeakPolarHBondContact O-CA 3.37Å; E43-V128 HydrophobicContact CB-CG1 3.65Å; L95-V128 HydrophobicContact CB-CG1 4.25Å; L95-V128 HydrophobicContact CB-CG2 4.37Å; L95-V128 HydrophobicContact CD1-CG2 3.9Å; R97-V128 HydrophobicContact CB-CB 4.3Å; R97-V128 HydrophobicContact CB-CG1 3.87Å; R97-V128 HydrophobicContact CG-CB 4.26Å; R97-V128 HydrophobicContact CG-CG1 4.34Å; K100-V128 WeakPolarHBondContact O-CG2 3.14Å; D101-V128 PolarHBondContact O-N 2.87Å; Y103-V128 HydrophobicContact CD2-CG2 4.36Å; Y103-V128 HydrophobicContact CE2-CG2 4.03Å |
| 129 | Q | 88.8 | Confident | 90.2 | Very high | 42 Ų | 42 | 48.6 Ų | 48.6 | 20% | 0.196 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 130.9 | 177.2 | -73.2 | -175.5 | -21.2 | 0 | 0 | 109.5 | F40 V41 I42 E43 Y170 | F40-Q129 HydrophobicContact CB-CG 3.98Å; F40-Q129 HydrophobicContact CD1-CG 3.77Å; F40-Q129 HydrophobicContact CG-CG 4.26Å; V41-Q129 PolarHBondContact O-N 3.08Å; I42-Q129 HydrophobicContact CG1-CB 4.32Å; E43-Q129 PolarHBondContact N-O 3.42Å; Q129-Y170 HydrophobicContact CG-CE2 4.36Å; Q129-Y170 PolarHBondContact OE1-OH 3.48Å |
| 130 | D | 87.3 | Confident | 90.5 | Very high | 7 Ų | 7 | 51.7 Ų | 51.7 | 4% | 0.037 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -64 | 140.6 | -178.5 | -172.1 | 83.4 | 0 | 0 | 0 | 113.2 | E43 R97 D167 Y170 S173 | E43-D130 WeakPolarHBondContact OE1-CA 3.37Å; R97-D130 IonicContact CZ-OD1 2.81Å; R97-D130 IonicContact NE-OD1 3.87Å; R97-D130 PolarHBondContact NE-OD1 2.7Å; R97-D130 IonicContact NH2-OD1 3.76Å; D130-D167 HydrophobicContact CB-CB 3.8Å; D130-D167 PolarHBondContact OD1-N 3Å; D130-Y170 HydrophobicContact CB-CD1 3.91Å; D130-Y170 HydrophobicContact CB-CG 4.26Å; D130-Y170 WeakPolarHBondContact O-CD1 3.46Å; D130-Y170 WeakPolarHBondContact O-CE1 3.17Å; D130-S173 WeakPolarHBondContact OD2-CB 3.46Å; D130-S173 PolarHBondContact OD2-OG 2.93Å |
| 131 | I | 86.4 | Confident | 90.7 | Very high | 66 Ų | 66 | 52.7 Ų | 52.7 | 34% | 0.338 | 28% | 0.28 | S | S | . | . | trans | -118.8 | 139.4 | 163.5 | -68 | -177.9 | 0 | 0 | 0 | 107.1 | I42 E43 D133 | I42-I131 HydrophobicContact CG2-CD1 3.56Å; I42-I131 HydrophobicContact CG2-CG1 3.71Å; E43-I131 HydrophobicContact CG-CB 3.94Å; E43-I131 HydrophobicContact CG-CD1 4.21Å; E43-I131 HydrophobicContact CG-CG1 3.95Å; E43-I131 WeakPolarHBondContact O-CD1 3.28Å; E43-I131 PolarHBondContact OE1-N 3.45Å; I131-D133 VanDerWaalsContact C-N 3.31Å; I131-D133 HydrophobicContact CG2-CB 4.38Å; I131-D133 PolarHBondContact O-N 3.38Å | ||
| 132 | N | 87.1 | Confident | 91 | Very high | 30 Ų | 30 | 54.2 Ų | 54.2 | 16% | 0.16 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -72.3 | 79.7 | 177.1 | -166.9 | 106.8 | 0 | 0 | 0 | 112.2 | D166 S173 D219 G221 L227 | N132-D166 WeakPolarHBondContact CA-OD2 3.41Å; N132-S173 WeakPolarHBondContact OD1-CA 3.48Å; N132-S173 VanDerWaalsContact OD1-CB 3.3Å; N132-S173 WeakPolarHBondContact OD1-CB 3.23Å; N132-S173 PolarHBondContact OD1-O 2.95Å; N132-S173 VanDerWaalsContact OD1-O 3.09Å; N132-D219 PolarHBondContact ND2-OD1 3.27Å; N132-D219 PolarHBondContact ND2-OD2 3.29Å; N132-D219 PolarHBondContact OD1-OD1 3.48Å; N132-D219 PolarHBondContact OD1-OD2 2.65Å; N132-G221 WeakPolarHBondContact OD1-CA 3.14Å; N132-L227 WeakPolarHBondContact ND2-CD1 3.48Å; N132-L227 WeakPolarHBondContact ND2-CG 3.35Å |
| 133 | D | 86.6 | Confident | 91.5 | Very high | 67 Ų | 67 | 53.8 Ų | 53.8 | 36% | 0.358 | 28% | 0.282 | S | S | . | . | trans | -117.9 | -8.4 | -176.3 | 75.3 | -20.2 | 0 | 0 | 0 | 114.5 | I131 D166 | I131-D133 VanDerWaalsContact C-N 3.31Å; I131-D133 HydrophobicContact CG2-CB 4.38Å; I131-D133 PolarHBondContact O-N 3.38Å; D133-D166 PolarHBondContact N-OD2 3.48Å | ||
| 134 | N | 88.9 | Confident | 91.8 | Very high | 47 Ų | 47 | 50.8 Ų | 50.8 | 25% | 0.251 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -98.6 | 121.7 | 171.5 | -64.1 | -81.6 | 0 | 0 | 0 | 111.1 | E98 A165 D166 | E98-N134 PolarHBondContact OE2-ND2 3.12Å; N134-A165 HydrophobicContact CB-CB 3.85Å; N134-D166 VanDerWaalsContact CB-OD1 3.23Å; N134-D166 WeakPolarHBondContact CB-OD1 3.36Å; N134-D166 PolarHBondContact N-OD1 3.1Å; N134-D166 PolarHBondContact N-OD2 2.79Å; N134-D166 PolarHBondContact ND2-OD1 2.83Å |
| 135 | P | 91.4 | Very high | 92.1 | Very high | 66 Ų | 66 | 50.8 Ų | 50.8 | 43% | 0.429 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 152.2 | 173.8 | 30.2 | -33.7 | 0 | 0 | 0 | 111.3 | I137 L227 | P135-I137 PolarHBondContact O-N 2.83Å; P135-L227 HydrophobicContact CB-CB 4.04Å; P135-L227 HydrophobicContact CB-CD1 4.35Å |
| 136 | P | 94.1 | Very high | 92.4 | Very high | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.019 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 137.7 | 172.6 | -21.4 | 29.2 | 0 | 0 | 0 | 111.7 | A162 T163 D164 L176 A217 D219 G229 | P136-A162 HydrophobicContact CB-CB 4.46Å; P136-T163 WeakPolarHBondContact CA-O 3.33Å; P136-D164 WeakPolarHBondContact CD-OD2 3.37Å; P136-D164 WeakPolarHBondContact CG-OD2 3.43Å; P136-L176 HydrophobicContact CB-CD1 4.37Å; P136-L176 HydrophobicContact CB-CD2 3.72Å; P136-L176 HydrophobicContact CG-CD2 3.43Å; P136-L176 VanDerWaalsContact CG-CD2 3.43Å; P136-A217 HydrophobicContact CB-CB 3.94Å; P136-D219 HydrophobicContact CG-CB 4.18Å; P136-G229 WeakPolarHBondContact O-CA 3.26Å |
| 137 | I | 95.2 | Very high | 92.6 | Very high | 102 Ų | 102 | 54.1 Ų | 54.1 | 52% | 0.523 | 30% | 0.297 | S | S | . | . | B | Isolated β-bridge | trans | -122.3 | 149.4 | 176.8 | 63.2 | 169.7 | 0 | 0 | 0 | 111.6 | P135 P139 A162 T163 | P135-I137 PolarHBondContact O-N 2.83Å; I137-P139 WeakPolarHBondContact O-CD 3.37Å; I137-A162 CarbonylContact O-C 3.56Å; I137-A162 WeakPolarHBondContact O-CA 3.49Å; I137-A162 WeakPolarHBondContact O-CB 3.4Å; I137-T163 WeakPolarHBondContact CG1-O 3.3Å; I137-T163 WeakPolarHBondContact CG1-OG1 3.28Å; I137-T163 PolarHBondContact N-O 3.38Å; I137-T163 PolarHBondContact O-N 2.66Å |
| 138 | F | 96.7 | Very high | 92.7 | Very high | 17 Ų | 17 | 52.8 Ų | 52.8 | 8% | 0.075 | 30% | 0.299 | C | S | . | . | trans | -105 | 101.7 | 175.8 | -70.3 | -92.2 | 0 | 0 | 0 | 109.9 | E141 Y143 V160 T161 A162 Y178 A217 T231 | F138-E141 HydrophobicContact CB-CG 4.03Å; F138-Y143 HydrophobicContact CB-CE2 4.13Å; F138-Y143 HydrophobicContact CD1-CE2 4.02Å; F138-Y143 HydrophobicContact CG-CE2 4.45Å; F138-V160 HydrophobicContact CD1-CB 4.28Å; F138-V160 HydrophobicContact CE1-CB 3.99Å; F138-V160 HydrophobicContact CE1-CG2 3.94Å; F138-T161 WeakPolarHBondContact CD1-O 2.77Å; F138-A162 HydrophobicContact CD1-CB 3.91Å; F138-A162 HydrophobicContact CD2-CB 4.34Å; F138-A162 HydrophobicContact CE1-CB 3.73Å; F138-A162 HydrophobicContact CE2-CB 4.17Å; F138-A162 HydrophobicContact CG-CB 4.23Å; F138-A162 HydrophobicContact CZ-CB 3.88Å; F138-Y178 HydrophobicContact CE1-CD1 4.41Å; F138-Y178 AromaticContact CE1-CE1 3.98Å; F138-Y178 HydrophobicContact CE1-CE1 3.98Å; F138-Y178 HydrophobicContact CZ-CD1 4.48Å; F138-Y178 HydrophobicContact CZ-CE1 4.32Å; F138-A217 HydrophobicContact CE1-CB 4.41Å; F138-A217 HydrophobicContact CE2-CB 3.85Å; F138-A217 HydrophobicContact CZ-CB 3.53Å; F138-T231 HydrophobicContact CD1-CG2 3.54Å; F138-T231 HydrophobicContact CD2-CG2 3.95Å; F138-T231 HydrophobicContact CE1-CG2 3.51Å; F138-T231 HydrophobicContact CE2-CG2 3.93Å; F138-T231 HydrophobicContact CG-CG2 3.75Å; F138-T231 HydrophobicContact CZ-CG2 3.7Å | ||
| 139 | P | 94.8 | Very high | 92.8 | Very high | 75 Ų | 75 | 52.3 Ų | 52.3 | 49% | 0.487 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -23.1 | -174.4 | 28.9 | -35.6 | 0 | 0 | 0 | 114.3 | I137 E141 T161 T163 | I137-P139 WeakPolarHBondContact O-CD 3.37Å; P139-E141 VanDerWaalsContact C-N 3.31Å; P139-E141 PolarHBondContact O-N 2.71Å; P139-T161 WeakPolarHBondContact CD-O 3.16Å; P139-T163 HydrophobicContact CG-CG2 4.48Å |
| 140 | D | 93.8 | Very high | 92.8 | Very high | 95 Ų | 95 | 52.6 Ų | 52.6 | 51% | 0.508 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 24.3 | -172.5 | -50.2 | -52.8 | 0 | 0 | 0 | 113.6 | Y143 | D140-Y143 HydrophobicContact CB-CE1 3.76Å; D140-Y143 WeakPolarHBondContact CB-OH 3.14Å |
| 141 | E | 91.7 | Very high | 93.1 | Very high | 105 Ų | 105 | 52.9 Ų | 52.9 | 49% | 0.491 | 30% | 0.301 | S | S | . | . | trans | -69.7 | 144.9 | 176.9 | -69.2 | -172.1 | 162.8 | 0 | 0 | 112.3 | F138 P139 Y143 T231 | F138-E141 HydrophobicContact CB-CG 4.03Å; P139-E141 VanDerWaalsContact C-N 3.31Å; P139-E141 PolarHBondContact O-N 2.71Å; E141-Y143 HydrophobicContact CG-CD2 4.26Å; E141-Y143 HydrophobicContact CG-CE2 4Å; E141-T231 WeakPolarHBondContact CG-OG1 3.32Å; E141-T231 WeakPolarHBondContact OE1-CA 3.08Å; E141-T231 WeakPolarHBondContact OE1-CB 3.44Å; E141-T231 PolarHBondContact OE1-OG1 3.23Å | ||
| 142 | P | 94.3 | Very high | 93.4 | Very high | 115 Ų | 115 | 55.8 Ų | 55.8 | 75% | 0.747 | 32% | 0.317 | S | S | * | . | S | Bend | cis | -85.8 | 144.1 | 0.2 | 33.6 | -34.5 | 0 | 0 | 0 | 113.6 | ||
| 143 | Y | 96.4 | Very high | 93.8 | Very high | 15 Ų | 15 | 59.7 Ų | 59.7 | 6% | 0.059 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 116 | 173.5 | -63.9 | -77.3 | 0 | 0 | 0 | 111.4 | F138 D140 E141 V160 T161 T231 V233 T234 | F138-Y143 HydrophobicContact CB-CE2 4.13Å; F138-Y143 HydrophobicContact CD1-CE2 4.02Å; F138-Y143 HydrophobicContact CG-CE2 4.45Å; D140-Y143 HydrophobicContact CB-CE1 3.76Å; D140-Y143 WeakPolarHBondContact CB-OH 3.14Å; E141-Y143 HydrophobicContact CG-CD2 4.26Å; E141-Y143 HydrophobicContact CG-CE2 4Å; Y143-V160 HydrophobicContact CD1-CG1 3.97Å; Y143-V160 HydrophobicContact CD2-CG1 3.94Å; Y143-V160 HydrophobicContact CE1-CB 4.28Å; Y143-V160 HydrophobicContact CE1-CG1 4.06Å; Y143-V160 HydrophobicContact CE2-CB 4.28Å; Y143-V160 HydrophobicContact CE2-CG1 4.02Å; Y143-V160 HydrophobicContact CG-CG1 3.92Å; Y143-T161 PolarHBondContact OH-N 2.7Å; Y143-T161 PolarHBondContact OH-O 2.79Å; Y143-T161 VanDerWaalsContact OH-O 3.1Å; Y143-T231 HydrophobicContact CD2-CG2 4.1Å; Y143-T231 WeakPolarHBondContact CD2-OG1 3.44Å; Y143-T231 HydrophobicContact CE2-CG2 4.04Å; Y143-V233 HydrophobicContact CD2-CG2 4.46Å; Y143-V233 HydrophobicContact CG-CG2 4.3Å; Y143-V233 WeakPolarHBondContact O-CA 3.1Å; Y143-T234 PolarHBondContact O-N 3.49Å |
| 144 | V | 97.3 | Very high | 94.1 | Very high | 88 Ų | 88 | 57.8 Ų | 57.8 | 53% | 0.533 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 129.6 | 172.9 | -174 | 0 | 0 | 0 | 0 | 108.9 | T234 | V144-T234 WeakPolarHBondContact CA-O 3.31Å |
| 145 | A | 96.6 | Very high | 94.5 | Very high | 9 Ų | 9 | 57.8 Ų | 57.8 | 7% | 0.074 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 155.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | I157 T158 T234 K236 | A145-I157 HydrophobicContact CB-CG2 3.59Å; A145-T158 HydrophobicContact CB-CG2 3.98Å; A145-T234 PolarHBondContact N-O 3.18Å; A145-K236 PolarHBondContact O-N 2.94Å |
| 146 | V | 96.9 | Very high | 94.7 | Very high | 91 Ų | 91 | 57.9 Ų | 57.9 | 55% | 0.552 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 134.3 | 177.5 | -175.6 | 0 | 0 | 0 | 0 | 108.6 | K236 | V146-K236 CarbonylContact C-O 3.37Å; V146-K236 VanDerWaalsContact CA-O 3.26Å; V146-K236 WeakPolarHBondContact CA-O 3.41Å; V146-K236 HydrophobicContact CG2-CB 4.36Å |
| 147 | V | 96.3 | Very high | 94.9 | Very high | 3 Ų | 3 | 58.8 Ų | 58.8 | 2% | 0.018 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 141.7 | 175 | 64.2 | 0 | 0 | 0 | 0 | 108.9 | E149 A151 T155 I157 T198 V235 K236 L237 S238 | V147-E149 PolarHBondContact O-N 3.47Å; V147-A151 HydrophobicContact CG2-CB 3.97Å; V147-T155 HydrophobicContact CG2-CG2 4.19Å; V147-I157 HydrophobicContact CB-CG1 4.15Å; V147-I157 HydrophobicContact CG1-CD1 4.49Å; V147-I157 HydrophobicContact CG1-CG1 4.38Å; V147-I157 HydrophobicContact CG2-CG1 4.15Å; V147-T198 HydrophobicContact CG2-CG2 4.18Å; V147-V235 HydrophobicContact CG1-CG1 3.71Å; V147-K236 PolarHBondContact N-O 3.06Å; V147-L237 HydrophobicContact CG1-CD2 3.6Å; V147-L237 CarbonylContact O-C 3.54Å; V147-L237 VanDerWaalsContact O-CA 3.26Å; V147-L237 WeakPolarHBondContact O-CA 3.45Å; V147-S238 PolarHBondContact O-N 3.13Å |
| 148 | P | 93.9 | Very high | 94.9 | Very high | 54 Ų | 54 | 55.7 Ų | 55.7 | 35% | 0.351 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 140.1 | 171.3 | -24.1 | 34.7 | 0 | 0 | 0 | 111.3 | A151 S238 V240 | P148-A151 WeakPolarHBondContact O-CB 3.13Å; P148-S238 WeakPolarHBondContact CA-OG 3.17Å; P148-V240 HydrophobicContact CB-CG2 4.1Å |
| 149 | E | 93.9 | Very high | 94.9 | Very high | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.009 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 161.2 | 164.2 | 74.7 | -171 | 126 | 0 | 0 | 111.2 | V147 A151 M203 R205 E206 L237 S238 D239 V240 | V147-E149 PolarHBondContact O-N 3.47Å; E149-A151 PolarHBondContact O-N 2.81Å; E149-M203 WeakPolarHBondContact CB-O 3.39Å; E149-R205 HydrophobicContact CB-CB 4.28Å; E149-R205 WeakPolarHBondContact OE2-CB 3.48Å; E149-R205 PolarHBondContact OE2-N 2.85Å; E149-E206 VanDerWaalsContact OE2-OE2 3.12Å; E149-L237 HydrophobicContact CB-CB 4.38Å; E149-L237 HydrophobicContact CB-CD1 4.1Å; E149-S238 PolarHBondContact N-O 3.36Å; E149-D239 VanDerWaalsContact OE1-CA 3.31Å; E149-D239 WeakPolarHBondContact OE1-CA 3.38Å; E149-V240 HydrophobicContact CG-CB 3.77Å; E149-V240 HydrophobicContact CG-CG2 3.88Å; E149-V240 PolarHBondContact OE1-N 3.08Å |
| 150 | M | 89.9 | Confident | 95 | Very high | 47 Ų | 47 | 58.2 Ų | 58.2 | 23% | 0.232 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 23.8 | -174.8 | -54.7 | -166.5 | 78.2 | 0 | 0 | 114.2 | N152 P201 M203 D242 F335 K338 | M150-N152 PolarHBondContact O-N 2.56Å; M150-P201 CarbonylContact C-O 3.57Å; M150-P201 VanDerWaalsContact CA-O 3.28Å; M150-P201 WeakPolarHBondContact CA-O 3.37Å; M150-M203 PolarHBondContact N-O 2.84Å; M150-D242 HydrophobicContact SD-CB 4.11Å; M150-F335 HydrophobicContact CB-CE1 4.04Å; M150-F335 HydrophobicContact CB-CZ 4.17Å; M150-F335 HydrophobicContact CE-CE1 4.17Å; M150-F335 HydrophobicContact CG-CE1 4.36Å; M150-F335 HydrophobicContact SD-CD1 3.99Å; M150-F335 HydrophobicContact SD-CE1 3.44Å; M150-F335 WeakPolarHBondContact SD-CE1 3.13Å; M150-F335 HydrophobicContact SD-CZ 4.31Å; M150-K338 VanDerWaalsContact SD-CE 3.58Å; M150-K338 PolarHBondContact SD-NZ 3.4Å |
| 151 | A | 92.4 | Very high | 95.1 | Very high | 13 Ų | 13 | 56.3 Ų | 56.3 | 11% | 0.107 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -64 | 136.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | V147 P148 E149 T155 T198 | V147-A151 HydrophobicContact CG2-CB 3.97Å; P148-A151 WeakPolarHBondContact O-CB 3.13Å; E149-A151 PolarHBondContact O-N 2.81Å; A151-T155 HydrophobicContact CB-CG2 4.21Å; A151-T198 HydrophobicContact CB-CG2 4.24Å |
| 152 | N | 92.6 | Very high | 95.3 | Very high | 127 Ų | 127 | 51.7 Ų | 51.7 | 68% | 0.679 | 30% | 0.299 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 148.7 | 178.2 | -67.7 | -35.7 | 0 | 0 | 0 | 111.5 | M150 G154 T155 T198 | M150-N152 PolarHBondContact O-N 2.56Å; N152-G154 PolarHBondContact O-N 2.88Å; N152-T155 WeakPolarHBondContact O-CB 3.3Å; N152-T155 PolarHBondContact O-N 3.22Å; N152-T155 VanDerWaalsContact O-N 3.14Å; N152-T155 PolarHBondContact O-OG1 2.9Å; N152-T198 PolarHBondContact O-OG1 3.11Å |
| 153 | I | 95.1 | Very high | 95.3 | Very high | 113 Ų | 113 | 49.3 Ų | 49.3 | 58% | 0.579 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 132.2 | 173.4 | -58 | 174.7 | 0 | 0 | 0 | 110 | P201 | I153-P201 HydrophobicContact CD1-CG 4.45Å; I153-P201 HydrophobicContact CG1-CB 4.22Å; I153-P201 HydrophobicContact CG1-CG 4.4Å |
| 154 | G | 94.7 | Very high | 95.1 | Very high | 27 Ų | 27 | 49.9 Ų | 49.9 | 28% | 0.278 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.5 | 4.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | N152 S156 R197 T198 | N152-G154 PolarHBondContact O-N 2.88Å; G154-S156 PolarHBondContact O-N 3.02Å; G154-R197 PolarHBondContact O-NH1 3.39Å; G154-T198 PolarHBondContact N-O 2.98Å; G154-T198 PolarHBondContact N-OG1 3.12Å |
| 155 | T | 95.8 | Very high | 94.8 | Very high | 47 Ų | 47 | 48.3 Ų | 48.3 | 29% | 0.288 | 28% | 0.282 | S | S | . | . | trans | -61.7 | 129.3 | 173.1 | -60.8 | 0 | 0 | 0 | 0 | 109.5 | V147 A151 N152 R197 T198 | V147-T155 HydrophobicContact CG2-CG2 4.19Å; A151-T155 HydrophobicContact CB-CG2 4.21Å; N152-T155 WeakPolarHBondContact O-CB 3.3Å; N152-T155 PolarHBondContact O-N 3.22Å; N152-T155 VanDerWaalsContact O-N 3.14Å; N152-T155 PolarHBondContact O-OG1 2.9Å; T155-R197 CarbonylContact O-C 3.47Å; T155-R197 WeakPolarHBondContact O-CA 3.38Å; T155-R197 WeakPolarHBondContact O-CB 3.39Å; T155-T198 PolarHBondContact N-OG1 2.83Å; T155-T198 VanDerWaalsContact N-OG1 3.13Å; T155-T198 PolarHBondContact O-N 2.83Å | ||
| 156 | S | 96.7 | Very high | 94.5 | Very high | 68 Ų | 68 | 48 Ų | 48 | 48% | 0.476 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 127.2 | -179.6 | -173.1 | 0 | 0 | 0 | 0 | 110.4 | G154 I195 | G154-S156 PolarHBondContact O-N 3.02Å; S156-I195 WeakPolarHBondContact OG-CG2 3.35Å |
| 157 | I | 97 | Very high | 93.9 | Very high | 21 Ų | 21 | 45.8 Ų | 45.8 | 11% | 0.108 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | -62.1 | -178.4 | -60.5 | 170.3 | 0 | 0 | 0 | 109.7 | A145 V147 F187 L196 T198 V235 | A145-I157 HydrophobicContact CB-CG2 3.59Å; V147-I157 HydrophobicContact CB-CG1 4.15Å; V147-I157 HydrophobicContact CG1-CD1 4.49Å; V147-I157 HydrophobicContact CG1-CG1 4.38Å; V147-I157 HydrophobicContact CG2-CG1 4.15Å; I157-F187 HydrophobicContact CD1-CD1 3.44Å; I157-F187 VanDerWaalsContact CD1-CD1 3.44Å; I157-F187 HydrophobicContact CD1-CE1 3.54Å; I157-L196 HydrophobicContact CD1-CD2 4.35Å; I157-L196 HydrophobicContact CD1-CG 4.27Å; I157-L196 HydrophobicContact CG2-CD2 4.48Å; I157-L196 PolarHBondContact N-O 3.35Å; I157-T198 HydrophobicContact CD1-CG2 3.98Å; I157-T198 HydrophobicContact CG1-CG2 4.25Å; I157-V235 HydrophobicContact CD1-CG1 4.34Å; I157-V235 HydrophobicContact CG2-CG1 4.09Å; I157-V235 HydrophobicContact CG2-CG2 4.18Å |
| 158 | T | 97.2 | Very high | 93.1 | Very high | 37 Ų | 37 | 49.4 Ų | 49.4 | 23% | 0.227 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 171.1 | 178.9 | -168.1 | 0 | 0 | 0 | 0 | 110.3 | A145 L196 V233 | A145-T158 HydrophobicContact CB-CG2 3.98Å; T158-L196 HydrophobicContact CG2-CB 4.42Å; T158-L196 PolarHBondContact O-N 2.98Å; T158-V233 HydrophobicContact CG2-CG1 3.92Å |
| 159 | R | 96.6 | Very high | 92.3 | Very high | 145 Ų | 145 | 52.7 Ų | 52.7 | 55% | 0.547 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 125.9 | 170.7 | -178.2 | -178.8 | -62.5 | -170.1 | 0.8 | 108.8 | T193 G194 I195 | R159-T193 WeakPolarHBondContact CD-O 3.19Å; R159-T193 WeakPolarHBondContact CG-O 3.13Å; R159-G194 WeakPolarHBondContact CA-O 3.48Å; R159-I195 HydrophobicContact CB-CG1 4.28Å; R159-I195 HydrophobicContact CG-CG1 4.22Å |
| 160 | V | 96.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | trans | -92 | 146.4 | 165.9 | -61.9 | 0 | 0 | 0 | 0 | 109.9 | F138 Y143 Y178 G194 L215 T231 V233 | F138-V160 HydrophobicContact CD1-CB 4.28Å; F138-V160 HydrophobicContact CE1-CB 3.99Å; F138-V160 HydrophobicContact CE1-CG2 3.94Å; Y143-V160 HydrophobicContact CD1-CG1 3.97Å; Y143-V160 HydrophobicContact CD2-CG1 3.94Å; Y143-V160 HydrophobicContact CE1-CB 4.28Å; Y143-V160 HydrophobicContact CE1-CG1 4.06Å; Y143-V160 HydrophobicContact CE2-CB 4.28Å; Y143-V160 HydrophobicContact CE2-CG1 4.02Å; Y143-V160 HydrophobicContact CG-CG1 3.92Å; V160-Y178 HydrophobicContact CG2-CD1 3.96Å; V160-Y178 HydrophobicContact CG2-CE1 4.04Å; V160-G194 WeakPolarHBondContact CG2-O 3.42Å; V160-G194 PolarHBondContact N-O 3.09Å; V160-L215 HydrophobicContact CB-CD1 4.27Å; V160-L215 HydrophobicContact CG1-CD1 3.63Å; V160-L215 HydrophobicContact CG2-CD1 3.66Å; V160-T231 HydrophobicContact CG1-CG2 4.41Å; V160-V233 HydrophobicContact CG1-CG2 3.58Å | ||
| 161 | T | 96 | Very high | 90.3 | Very high | 55 Ų | 55 | 57.1 Ų | 57.1 | 34% | 0.337 | 34% | 0.335 | S | S | . | . | trans | -127.1 | 123 | 178.8 | -49 | 0 | 0 | 0 | 0 | 107.7 | F138 P139 Y143 | F138-T161 WeakPolarHBondContact CD1-O 2.77Å; P139-T161 WeakPolarHBondContact CD-O 3.16Å; Y143-T161 PolarHBondContact OH-N 2.7Å; Y143-T161 PolarHBondContact OH-O 2.79Å; Y143-T161 VanDerWaalsContact OH-O 3.1Å | ||
| 162 | A | 94.9 | Very high | 89.1 | Confident | 9 Ų | 9 | 60.1 Ų | 60.1 | 7% | 0.074 | 35% | 0.349 | C | S | . | . | trans | -108.5 | 152.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110 | P136 I137 F138 L176 Y178 A217 | P136-A162 HydrophobicContact CB-CB 4.46Å; I137-A162 CarbonylContact O-C 3.56Å; I137-A162 WeakPolarHBondContact O-CA 3.49Å; I137-A162 WeakPolarHBondContact O-CB 3.4Å; F138-A162 HydrophobicContact CD1-CB 3.91Å; F138-A162 HydrophobicContact CD2-CB 4.34Å; F138-A162 HydrophobicContact CE1-CB 3.73Å; F138-A162 HydrophobicContact CE2-CB 4.17Å; F138-A162 HydrophobicContact CG-CB 4.23Å; F138-A162 HydrophobicContact CZ-CB 3.88Å; A162-L176 HydrophobicContact CB-CD1 3.64Å; A162-L176 VanDerWaalsContact O-CD1 3.31Å; A162-L176 WeakPolarHBondContact O-CD1 3.43Å; A162-Y178 HydrophobicContact CB-CE1 3.97Å; A162-Y178 PolarHBondContact N-OH 3.49Å; A162-A217 HydrophobicContact CB-CB 3.46Å; A162-A217 VanDerWaalsContact CB-CB 3.46Å | ||
| 163 | T | 93.7 | Very high | 88.2 | Confident | 65 Ų | 65 | 54.3 Ų | 54.3 | 40% | 0.399 | 32% | 0.318 | S | S | . | . | B | Isolated β-bridge | trans | -126.5 | 142.9 | 175.5 | 55.5 | 0 | 0 | 0 | 0 | 109.3 | P136 I137 P139 | P136-T163 WeakPolarHBondContact CA-O 3.33Å; I137-T163 WeakPolarHBondContact CG1-O 3.3Å; I137-T163 WeakPolarHBondContact CG1-OG1 3.28Å; I137-T163 PolarHBondContact N-O 3.38Å; I137-T163 PolarHBondContact O-N 2.66Å; P139-T163 HydrophobicContact CG-CG2 4.48Å |
| 164 | D | 92.6 | Very high | 87.3 | Confident | 26 Ų | 26 | 49.8 Ų | 49.8 | 14% | 0.139 | 30% | 0.298 | C | S | . | . | trans | -121.2 | 140.5 | 174.7 | -156.7 | -56.2 | 0 | 0 | 0 | 108 | P136 D166 A174 L176 | P136-D164 WeakPolarHBondContact CD-OD2 3.37Å; P136-D164 WeakPolarHBondContact CG-OD2 3.43Å; D164-D166 WeakPolarHBondContact OD1-CB 3.5Å; D164-D166 PolarHBondContact OD1-N 2.85Å; D164-D166 VanDerWaalsContact OD1-N 3.1Å; D164-A174 HydrophobicContact CB-CB 3.78Å; D164-L176 HydrophobicContact CB-CD2 4.09Å | ||
| 165 | A | 91.8 | Very high | 86.9 | Confident | 55 Ų | 55 | 54.6 Ų | 54.6 | 46% | 0.455 | 31% | 0.308 | S | S | . | . | trans | -83.7 | -21.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R97 E98 N134 | R97-A165 PolarHBondContact NH2-O 2.83Å; E98-A165 HydrophobicContact CG-CB 3.89Å; N134-A165 HydrophobicContact CB-CB 3.85Å | ||
| 166 | D | 89.8 | Confident | 86.7 | Confident | 4 Ų | 4 | 53.7 Ų | 53.7 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -66.5 | 167.9 | -176.1 | -62.3 | -15.5 | 0 | 0 | 0 | 112.6 | R97 N132 D133 N134 D164 P168 A174 | R97-D166 VanDerWaalsContact NH2-CA 3.34Å; N132-D166 WeakPolarHBondContact CA-OD2 3.41Å; D133-D166 PolarHBondContact N-OD2 3.48Å; N134-D166 VanDerWaalsContact CB-OD1 3.23Å; N134-D166 WeakPolarHBondContact CB-OD1 3.36Å; N134-D166 PolarHBondContact N-OD1 3.1Å; N134-D166 PolarHBondContact N-OD2 2.79Å; N134-D166 PolarHBondContact ND2-OD1 2.83Å; D164-D166 WeakPolarHBondContact OD1-CB 3.5Å; D164-D166 PolarHBondContact OD1-N 2.85Å; D164-D166 VanDerWaalsContact OD1-N 3.1Å; D166-P168 WeakPolarHBondContact O-CD 3.48Å; D166-A174 HydrophobicContact CB-CB 4.37Å; D166-A174 WeakPolarHBondContact O-CB 3.07Å |
| 167 | D | 85 | Confident | 86.5 | Confident | 43 Ų | 43 | 53 Ų | 53 | 23% | 0.23 | 29% | 0.294 | C | S | . | . | trans | -74.5 | 119.8 | 179.2 | -173.9 | -16.4 | 0 | 0 | 0 | 111.3 | D130 T169 | D130-D167 HydrophobicContact CB-CB 3.8Å; D130-D167 PolarHBondContact OD1-N 3Å; D167-T169 PolarHBondContact O-N 3.37Å; D167-T169 WeakPolarHBondContact OD1-CA 3.13Å; D167-T169 WeakPolarHBondContact OD1-CB 3.36Å; D167-T169 PolarHBondContact OD1-N 3.32Å; D167-T169 PolarHBondContact OD1-OG1 3.09Å; D167-T169 PolarHBondContact OD2-OG1 3.08Å | ||
| 168 | P | 78.6 | Confident | 86.4 | Confident | 79 Ų | 79 | 53 Ų | 53 | 51% | 0.513 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -15.7 | 179.8 | 28.4 | -35.4 | 0 | 0 | 0 | 113.6 | D166 A174 | D166-P168 WeakPolarHBondContact O-CD 3.48Å; P168-A174 HydrophobicContact CB-CB 3.95Å |
| 169 | T | 78.3 | Confident | 86.3 | Confident | 123 Ų | 123 | 52.5 Ų | 52.5 | 76% | 0.755 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -22.5 | -176.2 | 71.6 | 0 | 0 | 0 | 0 | 113.3 | D167 | D167-T169 PolarHBondContact O-N 3.37Å; D167-T169 WeakPolarHBondContact OD1-CA 3.13Å; D167-T169 WeakPolarHBondContact OD1-CB 3.36Å; D167-T169 PolarHBondContact OD1-N 3.32Å; D167-T169 PolarHBondContact OD1-OG1 3.09Å; D167-T169 PolarHBondContact OD2-OG1 3.08Å |
| 170 | Y | 72.9 | Confident | 86.3 | Confident | 102 Ų | 102 | 46.8 Ų | 46.8 | 40% | 0.4 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -100.4 | 126.3 | 178.2 | -161.9 | -96.4 | 0 | 0 | 0 | 109.2 | Q129 D130 N172 S173 | Q129-Y170 HydrophobicContact CG-CE2 4.36Å; Q129-Y170 PolarHBondContact OE1-OH 3.48Å; D130-Y170 HydrophobicContact CB-CD1 3.91Å; D130-Y170 HydrophobicContact CB-CG 4.26Å; D130-Y170 WeakPolarHBondContact O-CD1 3.46Å; D130-Y170 WeakPolarHBondContact O-CE1 3.17Å; Y170-N172 PolarHBondContact O-N 2.79Å; Y170-S173 PolarHBondContact O-N 2.83Å; Y170-S173 VanDerWaalsContact O-N 3.09Å; Y170-S173 PolarHBondContact O-OG 2.89Å; Y170-S173 VanDerWaalsContact O-OG 3.12Å |
| 171 | G | 67.1 | Low | 86.2 | Confident | 41 Ų | 41 | 51 Ų | 51 | 42% | 0.423 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | -7.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | S173 | G171-S173 VanDerWaalsContact C-N 3.26Š|
| 172 | N | 68.3 | Low | 86.1 | Confident | 75 Ų | 75 | 54.3 Ų | 54.3 | 40% | 0.401 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 28.2 | -160.7 | -50.1 | -80.9 | 0 | 0 | 0 | 113.3 | Y170 A174 R175 M220 | Y170-N172 PolarHBondContact O-N 2.79Å; N172-A174 VanDerWaalsContact C-N 3.3Å; N172-A174 PolarHBondContact O-N 2.82Å; N172-R175 HydrophobicContact CB-CB 3.97Å; N172-R175 PolarHBondContact O-N 3.21Å; N172-R175 VanDerWaalsContact O-N 3.08Å; N172-M220 HydrophobicContact CB-CB 3.86Å; N172-M220 CarbonylContact O-C 3.46Å; N172-M220 PolarHBondContact O-N 3.04Å |
| 173 | S | 72.6 | Confident | 85.9 | Confident | 5 Ų | 5 | 54.9 Ų | 54.9 | 4% | 0.035 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -35.2 | -175 | -48.7 | 0 | 0 | 0 | 0 | 113 | D130 N132 Y170 G171 D219 | D130-S173 WeakPolarHBondContact OD2-CB 3.46Å; D130-S173 PolarHBondContact OD2-OG 2.93Å; N132-S173 WeakPolarHBondContact OD1-CA 3.48Å; N132-S173 VanDerWaalsContact OD1-CB 3.3Å; N132-S173 WeakPolarHBondContact OD1-CB 3.23Å; N132-S173 PolarHBondContact OD1-O 2.95Å; N132-S173 VanDerWaalsContact OD1-O 3.09Å; Y170-S173 PolarHBondContact O-N 2.83Å; Y170-S173 VanDerWaalsContact O-N 3.09Å; Y170-S173 PolarHBondContact O-OG 2.89Å; Y170-S173 VanDerWaalsContact O-OG 3.12Å; G171-S173 VanDerWaalsContact C-N 3.26Å; S173-D219 WeakPolarHBondContact O-CB 3.46Å |
| 174 | A | 78 | Confident | 85.6 | Confident | 19 Ų | 19 | 57.9 Ų | 57.9 | 16% | 0.157 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 15.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | D164 D166 P168 N172 L176 | D164-A174 HydrophobicContact CB-CB 3.78Å; D166-A174 HydrophobicContact CB-CB 4.37Å; D166-A174 WeakPolarHBondContact O-CB 3.07Å; P168-A174 HydrophobicContact CB-CB 3.95Å; N172-A174 VanDerWaalsContact C-N 3.3Å; N172-A174 PolarHBondContact O-N 2.82Å; A174-L176 PolarHBondContact O-N 2.9Å |
| 175 | R | 85.3 | Confident | 85.6 | Confident | 127 Ų | 127 | 62.7 Ų | 62.7 | 48% | 0.479 | 35% | 0.35 | S | S | . | . | trans | -87.4 | 105 | 177.4 | -171.2 | 179.1 | 178.7 | 175.2 | -0.2 | 110.8 | N172 M220 | N172-R175 HydrophobicContact CB-CB 3.97Å; N172-R175 PolarHBondContact O-N 3.21Å; N172-R175 VanDerWaalsContact O-N 3.08Å; R175-M220 HydrophobicContact CG-CE 4.24Å; R175-M220 PolarHBondContact O-N 3.41Å | ||
| 176 | L | 90.9 | Very high | 85.7 | Confident | 29 Ų | 29 | 62.7 Ų | 62.7 | 15% | 0.152 | 34% | 0.342 | C | S | . | . | trans | -84 | 141.8 | -175.3 | -56.1 | -177.1 | 0 | 0 | 0 | 113.8 | P136 A162 D164 A174 K218 D219 | P136-L176 HydrophobicContact CB-CD1 4.37Å; P136-L176 HydrophobicContact CB-CD2 3.72Å; P136-L176 HydrophobicContact CG-CD2 3.43Å; P136-L176 VanDerWaalsContact CG-CD2 3.43Å; A162-L176 HydrophobicContact CB-CD1 3.64Å; A162-L176 VanDerWaalsContact O-CD1 3.31Å; A162-L176 WeakPolarHBondContact O-CD1 3.43Å; D164-L176 HydrophobicContact CB-CD2 4.09Å; A174-L176 PolarHBondContact O-N 2.9Å; L176-K218 WeakPolarHBondContact CA-O 3.28Å; L176-D219 HydrophobicContact CD2-CB 4.1Å | ||
| 177 | V | 92.4 | Very high | 86 | Confident | 52 Ų | 52 | 62.7 Ų | 62.7 | 32% | 0.315 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 123.9 | 167.7 | -176.6 | 0 | 0 | 0 | 0 | 108.7 | P191 K218 M220 | V177-P191 WeakPolarHBondContact CA-O 3.43Å; V177-P191 HydrophobicContact CG1-CB 3.92Å; V177-K218 PolarHBondContact N-O 2.98Å; V177-K218 PolarHBondContact O-N 2.87Å; V177-M220 HydrophobicContact CG2-CE 3.24Å; V177-M220 HydrophobicContact CG2-CG 4.01Å; V177-M220 HydrophobicContact CG2-SD 4.28Å |
| 178 | Y | 95.2 | Very high | 86.6 | Confident | 23 Ų | 23 | 63 Ų | 63 | 9% | 0.09 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 142.9 | 176.4 | -61.1 | -88.6 | 0 | 0 | 0 | 111.3 | F138 V160 A162 P191 Q216 A217 | F138-Y178 HydrophobicContact CE1-CD1 4.41Å; F138-Y178 AromaticContact CE1-CE1 3.98Å; F138-Y178 HydrophobicContact CE1-CE1 3.98Å; F138-Y178 HydrophobicContact CZ-CD1 4.48Å; F138-Y178 HydrophobicContact CZ-CE1 4.32Å; V160-Y178 HydrophobicContact CG2-CD1 3.96Å; V160-Y178 HydrophobicContact CG2-CE1 4.04Å; A162-Y178 HydrophobicContact CB-CE1 3.97Å; A162-Y178 PolarHBondContact N-OH 3.49Å; Y178-P191 PolarHBondContact N-O 3.22Å; Y178-P191 WeakPolarHBondContact O-CA 3.45Å; Y178-Q216 CarbonylContact C-O 3.59Å; Y178-Q216 WeakPolarHBondContact CA-O 3.39Å; Y178-A217 HydrophobicContact CD1-CB 4.16Å; Y178-A217 HydrophobicContact CE1-CB 4.06Å |
| 179 | G | 95.2 | Very high | 87.5 | Confident | 25 Ų | 25 | 60.4 Ų | 60.4 | 26% | 0.258 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 162.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L215 Q216 | G179-L215 CarbonylContact O-C 3.6Å; G179-L215 WeakPolarHBondContact O-CA 3.17Å; G179-L215 WeakPolarHBondContact O-CD2 3.35Å; G179-Q216 PolarHBondContact N-O 2.75Å; G179-Q216 PolarHBondContact O-N 2.82Å |
| 180 | I | 96.5 | Very high | 88.3 | Confident | 25 Ų | 25 | 57 Ų | 57 | 13% | 0.128 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 126.8 | 173.8 | -65.4 | 162.9 | 0 | 0 | 0 | 108.2 | Q182 Q184 F187 V189 L196 V213 L215 | I180-Q182 VanDerWaalsContact CG2-C 3.49Å; I180-Q182 WeakPolarHBondContact CG2-O 3.22Å; I180-Q184 HydrophobicContact CB-CB 4.44Å; I180-Q184 HydrophobicContact CG2-CB 4.13Å; I180-F187 HydrophobicContact CD1-CB 4.16Å; I180-F187 VanDerWaalsContact CD1-O 3.24Å; I180-F187 WeakPolarHBondContact CD1-O 3.5Å; I180-V189 HydrophobicContact CD1-CB 4.15Å; I180-V189 HydrophobicContact CD1-CG1 4.19Å; I180-V189 HydrophobicContact CG1-CB 4.06Å; I180-V189 HydrophobicContact CG1-CG1 3.79Å; I180-L196 HydrophobicContact CD1-CD1 4.14Å; I180-V213 HydrophobicContact CG1-CG1 4.38Å; I180-V213 HydrophobicContact CG2-CG1 4.08Å; I180-L215 HydrophobicContact CB-CD2 4.36Å; I180-L215 HydrophobicContact CG1-CD2 3.43Å; I180-L215 VanDerWaalsContact CG1-CD2 3.43Å |
| 181 | L | 94.6 | Very high | 89.4 | Confident | 90 Ų | 90 | 55.2 Ų | 55.2 | 47% | 0.471 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | -35.4 | 171.8 | -65.6 | 179.8 | 0 | 0 | 0 | 111.7 | V214 Q216 T230 | L181-V214 HydrophobicContact CB-CB 4.38Å; L181-V214 HydrophobicContact CB-CG1 4.18Å; L181-V214 HydrophobicContact CD1-CG1 4.25Å; L181-V214 PolarHBondContact N-O 2.85Å; L181-Q216 HydrophobicContact CD1-CB 3.89Å; L181-Q216 HydrophobicContact CD2-CB 4.22Å; L181-Q216 HydrophobicContact CG-CB 3.79Å; L181-T230 HydrophobicContact CD1-CG2 3.65Å |
| 182 | Q | 94.5 | Very high | 90.6 | Very high | 123 Ų | 123 | 60.5 Ų | 60.5 | 58% | 0.575 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 130.3 | 179.1 | -174.1 | 178 | -3.9 | 0 | 0 | 110.2 | I180 V213 V214 | I180-Q182 VanDerWaalsContact CG2-C 3.49Å; I180-Q182 WeakPolarHBondContact CG2-O 3.22Å; Q182-V213 WeakPolarHBondContact O-CG1 3.28Å; Q182-V214 HydrophobicContact CB-CB 3.92Å; Q182-V214 HydrophobicContact CB-CG2 3.99Å; Q182-V214 PolarHBondContact N-O 2.85Å; Q182-V214 PolarHBondContact O-N 3.35Å; Q182-V214 VanDerWaalsContact O-N 3.14Å |
| 183 | G | 89.6 | Confident | 91.8 | Very high | 21 Ų | 21 | 59.2 Ų | 59.2 | 22% | 0.216 | 32% | 0.317 | C | S | . | . | trans | 104.1 | 9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | D185 L186 F187 | G183-D185 PolarHBondContact O-N 3.35Å; G183-D185 VanDerWaalsContact O-N 3.12Å; G183-L186 PolarHBondContact O-N 3.1Å; G183-L186 VanDerWaalsContact O-N 3.11Å; G183-F187 PolarHBondContact O-N 2.91Å | ||
| 184 | Q | 88.8 | Confident | 92.9 | Very high | 129 Ų | 129 | 59 Ų | 59 | 60% | 0.603 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -20.5 | -179 | 69.5 | -170.6 | -0.5 | 0 | 0 | 114.4 | I180 L186 | I180-Q184 HydrophobicContact CB-CB 4.44Å; I180-Q184 HydrophobicContact CG2-CB 4.13Å; Q184-L186 VanDerWaalsContact C-N 3.31Å |
| 185 | D | 91.4 | Very high | 93.9 | Very high | 127 Ų | 127 | 59 Ų | 59 | 68% | 0.679 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -24.2 | 179.9 | -55.5 | -35.4 | 0 | 0 | 0 | 111.9 | G183 V200 | G183-D185 PolarHBondContact O-N 3.35Å; G183-D185 VanDerWaalsContact O-N 3.12Å; D185-V200 VanDerWaalsContact O-CG1 3.27Å; D185-V200 WeakPolarHBondContact O-CG1 3.5Å |
| 186 | L | 94.1 | Very high | 94.5 | Very high | 54 Ų | 54 | 52.9 Ų | 52.9 | 28% | 0.283 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | -24 | -175.1 | -59.6 | 176.1 | 0 | 0 | 0 | 112.8 | G183 Q184 A199 V200 Y211 | G183-L186 PolarHBondContact O-N 3.1Å; G183-L186 VanDerWaalsContact O-N 3.11Å; Q184-L186 VanDerWaalsContact C-N 3.31Å; L186-A199 WeakPolarHBondContact O-CB 3.5Å; L186-A199 PolarHBondContact O-N 2.91Å; L186-V200 HydrophobicContact CB-CG2 4.47Å; L186-V200 HydrophobicContact CD2-CG1 4.5Å; L186-V200 HydrophobicContact CD2-CG2 3.64Å; L186-Y211 HydrophobicContact CD1-CD1 3.56Å; L186-Y211 HydrophobicContact CD1-CE1 3.39Å |
| 187 | F | 96.8 | Very high | 94.8 | Very high | 5 Ų | 5 | 55.7 Ų | 55.7 | 2% | 0.022 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 155.5 | -174.8 | -54 | -78.2 | 0 | 0 | 0 | 112.4 | I157 I180 G183 L196 R197 M203 Y211 V213 V235 | I157-F187 HydrophobicContact CD1-CD1 3.44Å; I157-F187 VanDerWaalsContact CD1-CD1 3.44Å; I157-F187 HydrophobicContact CD1-CE1 3.54Å; I180-F187 HydrophobicContact CD1-CB 4.16Å; I180-F187 VanDerWaalsContact CD1-O 3.24Å; I180-F187 WeakPolarHBondContact CD1-O 3.5Å; G183-F187 PolarHBondContact O-N 2.91Å; F187-L196 HydrophobicContact CB-CD1 3.95Å; F187-R197 CarbonylContact C-O 3.52Å; F187-R197 WeakPolarHBondContact CA-O 3.46Å; F187-M203 HydrophobicContact CE1-CE 3.59Å; F187-M203 HydrophobicContact CE1-SD 3.81Å; F187-M203 HydrophobicContact CE2-CE 4.2Å; F187-M203 HydrophobicContact CZ-CE 3.26Å; F187-M203 HydrophobicContact CZ-SD 4.04Å; F187-Y211 HydrophobicContact CE2-CD1 4.34Å; F187-Y211 HydrophobicContact CE2-CG 4.12Å; F187-Y211 HydrophobicContact CZ-CD2 4.38Å; F187-Y211 AromaticContact CZ-CG 3.99Å; F187-Y211 HydrophobicContact CZ-CG 3.99Å; F187-V213 HydrophobicContact CD2-CG1 4.49Å; F187-V213 HydrophobicContact CD2-CG2 3.3Å; F187-V213 HydrophobicContact CE2-CG2 3.4Å; F187-V213 VanDerWaalsContact CE2-CG2 3.4Å; F187-V213 HydrophobicContact CG-CG2 3.94Å; F187-V213 HydrophobicContact CZ-CG2 4.1Å; F187-V235 HydrophobicContact CE1-CB 4.4Å; F187-V235 HydrophobicContact CE1-CG1 4Å; F187-V235 HydrophobicContact CE1-CG2 4.32Å; F187-V235 HydrophobicContact CZ-CB 4.15Å; F187-V235 HydrophobicContact CZ-CG1 4.1Å; F187-V235 HydrophobicContact CZ-CG2 4.29Å |
| 188 | S | 96.7 | Very high | 95 | Very high | 49 Ų | 49 | 53.2 Ų | 53.2 | 34% | 0.343 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 147.1 | 172.4 | 58.9 | 0 | 0 | 0 | 0 | 109.8 | L196 R197 | S188-L196 CarbonylContact O-C 3.45Å; S188-L196 WeakPolarHBondContact O-CA 3.39Å; S188-R197 PolarHBondContact N-O 2.96Å; S188-R197 PolarHBondContact O-N 3.31Å |
| 189 | V | 97.6 | Very high | 95 | Very high | 24 Ų | 24 | 53.6 Ų | 53.6 | 15% | 0.145 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 137.2 | 174.4 | 69 | 0 | 0 | 0 | 0 | 109.1 | I180 P191 I195 L196 L215 | I180-V189 HydrophobicContact CD1-CB 4.15Å; I180-V189 HydrophobicContact CD1-CG1 4.19Å; I180-V189 HydrophobicContact CG1-CB 4.06Å; I180-V189 HydrophobicContact CG1-CG1 3.79Å; V189-P191 WeakPolarHBondContact O-CD 3.31Å; V189-I195 WeakPolarHBondContact CA-O 3.44Å; V189-L196 HydrophobicContact CB-CD1 4.38Å; V189-L215 HydrophobicContact CB-CD2 3.94Å; V189-L215 HydrophobicContact CG1-CD2 4.08Å; V189-L215 HydrophobicContact CG2-CD2 4.04Å |
| 190 | D | 96.7 | Very high | 94.9 | Very high | 51 Ų | 51 | 53.9 Ų | 53.9 | 27% | 0.273 | 29% | 0.287 | S | S | . | . | trans | -69.9 | 117.9 | 169.3 | -179.5 | -32.3 | 0 | 0 | 0 | 108.9 | Q192 T193 G194 I195 | D190-Q192 PolarHBondContact O-N 2.74Å; D190-Q192 VanDerWaalsContact O-N 3.13Å; D190-Q192 PolarHBondContact OD1-N 2.88Å; D190-T193 WeakPolarHBondContact CB-OG1 3.47Å; D190-T193 PolarHBondContact O-N 2.82Å; D190-T193 PolarHBondContact OD1-N 3.14Å; D190-T193 VanDerWaalsContact OD1-N 3.15Å; D190-T193 PolarHBondContact OD2-OG1 2.83Å; D190-G194 PolarHBondContact O-N 2.84Å; D190-I195 HydrophobicContact CB-CB 4.33Å; D190-I195 PolarHBondContact N-O 2.93Å | ||
| 191 | P | 94.8 | Very high | 94.5 | Very high | 65 Ų | 65 | 55.7 Ų | 55.7 | 42% | 0.422 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -17.8 | -173.6 | 26.4 | -34.9 | 0 | 0 | 0 | 113.7 | V177 Y178 V189 | V177-P191 WeakPolarHBondContact CA-O 3.43Å; V177-P191 HydrophobicContact CG1-CB 3.92Å; Y178-P191 PolarHBondContact N-O 3.22Å; Y178-P191 WeakPolarHBondContact O-CA 3.45Å; V189-P191 WeakPolarHBondContact O-CD 3.31Å |
| 192 | Q | 92.4 | Very high | 94.1 | Very high | 152 Ų | 152 | 56.8 Ų | 56.8 | 71% | 0.71 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | -34.2 | -179.9 | -62.9 | -173.8 | -11 | 0 | 0 | 112.6 | D190 | D190-Q192 PolarHBondContact O-N 2.74Å; D190-Q192 VanDerWaalsContact O-N 3.13Å; D190-Q192 PolarHBondContact OD1-N 2.88Å |
| 193 | T | 94.9 | Very high | 94.1 | Very high | 48 Ų | 48 | 51.2 Ų | 51.2 | 29% | 0.294 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -12.3 | -171.4 | 68.4 | 0 | 0 | 0 | 0 | 114.4 | R159 D190 I195 | R159-T193 WeakPolarHBondContact CD-O 3.19Å; R159-T193 WeakPolarHBondContact CG-O 3.13Å; D190-T193 WeakPolarHBondContact CB-OG1 3.47Å; D190-T193 PolarHBondContact O-N 2.82Å; D190-T193 PolarHBondContact OD1-N 3.14Å; D190-T193 VanDerWaalsContact OD1-N 3.15Å; D190-T193 PolarHBondContact OD2-OG1 2.83Å; T193-I195 PolarHBondContact O-N 2.97Å; T193-I195 WeakPolarHBondContact OG1-CD1 3.44Å; T193-I195 VanDerWaalsContact OG1-CG1 3.28Å; T193-I195 WeakPolarHBondContact OG1-CG1 3.42Å |
| 194 | G | 95.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.28 | C | S | . | . | trans | 69.1 | 12.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | R159 V160 D190 L196 | R159-G194 WeakPolarHBondContact CA-O 3.48Å; V160-G194 WeakPolarHBondContact CG2-O 3.42Å; V160-G194 PolarHBondContact N-O 3.09Å; D190-G194 PolarHBondContact O-N 2.84Å; G194-L196 PolarHBondContact O-N 2.82Å | ||
| 195 | I | 97.8 | Very high | 94.6 | Very high | 19 Ų | 19 | 47.3 Ų | 47.3 | 10% | 0.097 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 117.4 | 177.3 | -61.9 | 170.9 | 0 | 0 | 0 | 109.1 | S156 R159 V189 D190 T193 R197 | S156-I195 WeakPolarHBondContact OG-CG2 3.35Å; R159-I195 HydrophobicContact CB-CG1 4.28Å; R159-I195 HydrophobicContact CG-CG1 4.22Å; V189-I195 WeakPolarHBondContact CA-O 3.44Å; D190-I195 HydrophobicContact CB-CB 4.33Å; D190-I195 PolarHBondContact N-O 2.93Å; T193-I195 PolarHBondContact O-N 2.97Å; T193-I195 WeakPolarHBondContact OG1-CD1 3.44Å; T193-I195 VanDerWaalsContact OG1-CG1 3.28Å; T193-I195 WeakPolarHBondContact OG1-CG1 3.42Å; I195-R197 HydrophobicContact CG2-CG 4.04Å |
| 196 | L | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 134.3 | 172 | -170.5 | 70.2 | 0 | 0 | 0 | 110.1 | I157 T158 I180 F187 S188 V189 G194 V213 L215 V233 V235 | I157-L196 HydrophobicContact CD1-CD2 4.35Å; I157-L196 HydrophobicContact CD1-CG 4.27Å; I157-L196 HydrophobicContact CG2-CD2 4.48Å; I157-L196 PolarHBondContact N-O 3.35Å; T158-L196 HydrophobicContact CG2-CB 4.42Å; T158-L196 PolarHBondContact O-N 2.98Å; I180-L196 HydrophobicContact CD1-CD1 4.14Å; F187-L196 HydrophobicContact CB-CD1 3.95Å; S188-L196 CarbonylContact O-C 3.45Å; S188-L196 WeakPolarHBondContact O-CA 3.39Å; V189-L196 HydrophobicContact CB-CD1 4.38Å; G194-L196 PolarHBondContact O-N 2.82Å; L196-V213 HydrophobicContact CD1-CG1 4.18Å; L196-V213 HydrophobicContact CD2-CG2 4.46Å; L196-L215 HydrophobicContact CD1-CD1 4.49Å; L196-L215 HydrophobicContact CD1-CD2 4.27Å; L196-V233 HydrophobicContact CD2-CB 4.4Å; L196-V233 HydrophobicContact CD2-CG1 4.11Å; L196-V235 HydrophobicContact CD2-CG2 3.97Å |
| 197 | R | 97.6 | Very high | 94.8 | Very high | 87 Ų | 87 | 46.9 Ų | 46.9 | 33% | 0.328 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 156.2 | -178.6 | -60.6 | 179.1 | 178.7 | -92.2 | -1.6 | 111.7 | G154 T155 F187 S188 I195 | G154-R197 PolarHBondContact O-NH1 3.39Å; T155-R197 CarbonylContact O-C 3.47Å; T155-R197 WeakPolarHBondContact O-CA 3.38Å; T155-R197 WeakPolarHBondContact O-CB 3.39Å; F187-R197 CarbonylContact C-O 3.52Å; F187-R197 WeakPolarHBondContact CA-O 3.46Å; S188-R197 PolarHBondContact N-O 2.96Å; S188-R197 PolarHBondContact O-N 3.31Å; I195-R197 HydrophobicContact CG2-CG 4.04Å |
| 198 | T | 96.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 137.4 | 168.4 | 55 | 0 | 0 | 0 | 0 | 110.7 | V147 A151 N152 G154 T155 I157 M203 | V147-T198 HydrophobicContact CG2-CG2 4.18Å; A151-T198 HydrophobicContact CB-CG2 4.24Å; N152-T198 PolarHBondContact O-OG1 3.11Å; G154-T198 PolarHBondContact N-O 2.98Å; G154-T198 PolarHBondContact N-OG1 3.12Å; T155-T198 PolarHBondContact N-OG1 2.83Å; T155-T198 VanDerWaalsContact N-OG1 3.13Å; T155-T198 PolarHBondContact O-N 2.83Å; I157-T198 HydrophobicContact CD1-CG2 3.98Å; I157-T198 HydrophobicContact CG1-CG2 4.25Å; T198-M203 HydrophobicContact CG2-SD 4.35Å |
| 199 | A | 95 | Very high | 94.7 | Very high | 31 Ų | 31 | 53 Ų | 53 | 26% | 0.256 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -106.1 | -18.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L186 | L186-A199 WeakPolarHBondContact O-CB 3.5Å; L186-A199 PolarHBondContact O-N 2.91Å |
| 200 | V | 92.9 | Very high | 94.6 | Very high | 30 Ų | 30 | 55.3 Ų | 55.3 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | trans | -126.3 | 153.1 | 178.6 | -56.1 | 0 | 0 | 0 | 0 | 111.2 | D185 L186 D202 M203 | D185-V200 VanDerWaalsContact O-CG1 3.27Å; D185-V200 WeakPolarHBondContact O-CG1 3.5Å; L186-V200 HydrophobicContact CB-CG2 4.47Å; L186-V200 HydrophobicContact CD2-CG1 4.5Å; L186-V200 HydrophobicContact CD2-CG2 3.64Å; V200-D202 WeakPolarHBondContact CB-OD1 3.48Å; V200-M203 HydrophobicContact CG2-CG 3.72Å | ||
| 201 | P | 87.9 | Confident | 94.6 | Very high | 63 Ų | 63 | 54 Ų | 54 | 41% | 0.409 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -96.3 | -3.4 | -176.2 | 38.1 | -34.3 | 0 | 0 | 0 | 114.4 | M150 I153 | M150-P201 CarbonylContact C-O 3.57Å; M150-P201 VanDerWaalsContact CA-O 3.28Å; M150-P201 WeakPolarHBondContact CA-O 3.37Å; I153-P201 HydrophobicContact CD1-CG 4.45Å; I153-P201 HydrophobicContact CG1-CB 4.22Å; I153-P201 HydrophobicContact CG1-CG 4.4Å |
| 202 | D | 87.1 | Confident | 94.7 | Very high | 113 Ų | 113 | 55.5 Ų | 55.5 | 60% | 0.604 | 29% | 0.289 | S | S | * | . | trans | -116.4 | 23.9 | -167.7 | 61 | -25.6 | 0 | 0 | 0 | 112.8 | V200 D204 | V200-D202 WeakPolarHBondContact CB-OD1 3.48Å; D202-D204 PolarHBondContact O-N 2.85Å | ||
| 203 | M | 93.6 | Very high | 94.9 | Very high | 7 Ų | 7 | 48.3 Ų | 48.3 | 3% | 0.034 | 26% | 0.255 | C | S | . | . | trans | -63.3 | 123.9 | 166.8 | -66.1 | -176.2 | 72.4 | 0 | 0 | 109.2 | E149 M150 F187 T198 V200 Y211 L237 | E149-M203 WeakPolarHBondContact CB-O 3.39Å; M150-M203 PolarHBondContact N-O 2.84Å; F187-M203 HydrophobicContact CE1-CE 3.59Å; F187-M203 HydrophobicContact CE1-SD 3.81Å; F187-M203 HydrophobicContact CE2-CE 4.2Å; F187-M203 HydrophobicContact CZ-CE 3.26Å; F187-M203 HydrophobicContact CZ-SD 4.04Å; T198-M203 HydrophobicContact CG2-SD 4.35Å; V200-M203 HydrophobicContact CG2-CG 3.72Å; M203-Y211 HydrophobicContact CE-CD1 4.32Å; M203-Y211 HydrophobicContact CE-CD2 3.52Å; M203-Y211 HydrophobicContact CE-CE1 4.23Å; M203-Y211 HydrophobicContact CE-CE2 3.43Å; M203-Y211 VanDerWaalsContact CE-CE2 3.43Å; M203-Y211 HydrophobicContact CE-CG 4Å; M203-L237 HydrophobicContact CB-CD1 4.04Å; M203-L237 HydrophobicContact CB-CD2 4.44Å; M203-L237 HydrophobicContact CE-CD2 3.86Å | ||
| 204 | D | 94.4 | Very high | 95 | Very high | 36 Ų | 36 | 47.4 Ų | 47.4 | 19% | 0.193 | 25% | 0.249 | C | C | . | . | trans | -128.8 | 122 | -166.8 | -179.1 | 77.6 | 0 | 0 | 0 | 109.3 | D202 T207 Q208 | D202-D204 PolarHBondContact O-N 2.85Å; D204-T207 PolarHBondContact O-N 3.27Å; D204-T207 VanDerWaalsContact OD2-CB 3.32Å; D204-T207 WeakPolarHBondContact OD2-CB 3.22Å; D204-T207 PolarHBondContact OD2-N 2.87Å; D204-T207 PolarHBondContact OD2-OG1 3.13Å; D204-Q208 PolarHBondContact O-N 3.15Å; D204-Q208 VanDerWaalsContact O-O 3.08Å | ||
| 205 | R | 96 | Very high | 95 | Very high | 31 Ų | 31 | 47.4 Ų | 47.4 | 12% | 0.117 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -33.7 | -174.2 | -170.4 | -146.9 | 63.5 | 67.4 | -2.6 | 111 | E149 T207 Q208 D209 L237 D239 P274 L276 | E149-R205 HydrophobicContact CB-CB 4.28Å; E149-R205 WeakPolarHBondContact OE2-CB 3.48Å; E149-R205 PolarHBondContact OE2-N 2.85Å; R205-T207 PolarHBondContact O-N 2.83Å; R205-Q208 CarbonylContact O-C 3.59Å; R205-Q208 PolarHBondContact O-N 3.41Å; R205-D209 HydrophobicContact CG-CB 3.82Å; R205-L237 HydrophobicContact CB-CB 4Å; R205-L237 HydrophobicContact CB-CD1 4.33Å; R205-L237 HydrophobicContact CG-CB 4.02Å; R205-D239 IonicContact CZ-OD1 3.48Å; R205-D239 IonicContact NE-OD1 2.7Å; R205-D239 PolarHBondContact NE-OD1 2.91Å; R205-D239 IonicContact NH2-OD1 4Å; R205-P274 PolarHBondContact NH2-O 3.1Å; R205-P274 VanDerWaalsContact NH2-O 3.12Å; R205-L276 VanDerWaalsContact CZ-CD1 3.43Å |
| 206 | E | 95.1 | Very high | 94.9 | Very high | 53 Ų | 53 | 48.6 Ų | 48.6 | 25% | 0.248 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -30.5 | 177.1 | -72.4 | 61.3 | -126.7 | 0 | 0 | 111.4 | E149 P274 | E149-E206 VanDerWaalsContact OE2-OE2 3.12Å; E206-P274 HydrophobicContact CG-CB 3.77Å |
| 207 | T | 94.6 | Very high | 94.8 | Very high | 119 Ų | 119 | 48.6 Ų | 48.6 | 73% | 0.73 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -50.1 | 173.4 | -58.7 | 0 | 0 | 0 | 0 | 112.4 | D204 R205 | D204-T207 PolarHBondContact O-N 3.27Å; D204-T207 VanDerWaalsContact OD2-CB 3.32Å; D204-T207 WeakPolarHBondContact OD2-CB 3.22Å; D204-T207 PolarHBondContact OD2-N 2.87Å; D204-T207 PolarHBondContact OD2-OG1 3.13Å; R205-T207 PolarHBondContact O-N 2.83Å |
| 208 | Q | 94.9 | Very high | 94.5 | Very high | 91 Ų | 91 | 48.9 Ų | 48.9 | 43% | 0.425 | 26% | 0.258 | S | S | . | . | trans | -155.1 | 119.1 | 179.8 | 178.1 | 174.6 | -16.7 | 0 | 0 | 111 | D204 R205 E210 Y211 L237 | D204-Q208 PolarHBondContact O-N 3.15Å; D204-Q208 VanDerWaalsContact O-O 3.08Å; R205-Q208 CarbonylContact O-C 3.59Å; R205-Q208 PolarHBondContact O-N 3.41Å; Q208-E210 WeakPolarHBondContact CG-O 3.47Å; Q208-E210 PolarHBondContact NE2-O 3.46Å; Q208-Y211 HydrophobicContact CB-CE1 4.48Å; Q208-Y211 HydrophobicContact CB-CE2 4.47Å; Q208-Y211 HydrophobicContact CG-CE1 4.05Å; Q208-Y211 HydrophobicContact CG-CE2 4.13Å; Q208-Y211 VanDerWaalsContact O-CE2 3.27Å; Q208-Y211 WeakPolarHBondContact O-CE2 3.47Å; Q208-Y211 PolarHBondContact O-OH 2.83Å; Q208-L237 WeakPolarHBondContact O-CD1 3.42Å | ||
| 209 | D | 95.5 | Very high | 94.2 | Very high | 93 Ų | 93 | 48.9 Ų | 48.9 | 50% | 0.497 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -91.7 | -16.4 | -172.7 | 64.1 | -15.2 | 0 | 0 | 0 | 114.6 | R205 K236 L237 | R205-D209 HydrophobicContact CG-CB 3.82Å; D209-K236 WeakPolarHBondContact O-CA 3.46Å; D209-L237 PolarHBondContact O-N 3.32Å |
| 210 | E | 96.4 | Very high | 93.4 | Very high | 71 Ų | 71 | 51.1 Ų | 51.1 | 33% | 0.332 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 134.4 | -176.6 | -169.2 | 168.9 | 138.9 | 0 | 0 | 112.3 | Q208 T234 V235 K236 | Q208-E210 WeakPolarHBondContact CG-O 3.47Å; Q208-E210 PolarHBondContact NE2-O 3.46Å; E210-T234 HydrophobicContact CG-CG2 3.73Å; E210-T234 WeakPolarHBondContact OE1-CG2 3.38Å; E210-V235 WeakPolarHBondContact CA-O 3.45Å; E210-K236 HydrophobicContact CG-CG 4.22Å; E210-K236 WeakPolarHBondContact OE2-CE 3.41Å; E210-K236 IonicContact OE2-NZ 2.87Å; E210-K236 PolarHBondContact OE2-NZ 2.95Å |
| 211 | Y | 96 | Very high | 92.1 | Very high | 24 Ų | 24 | 50.2 Ų | 50.2 | 9% | 0.094 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 135.2 | 178.8 | -60.9 | -96.4 | 0 | 0 | 0 | 110.4 | L186 F187 M203 Q208 V235 L237 | L186-Y211 HydrophobicContact CD1-CD1 3.56Å; L186-Y211 HydrophobicContact CD1-CE1 3.39Å; F187-Y211 HydrophobicContact CE2-CD1 4.34Å; F187-Y211 HydrophobicContact CE2-CG 4.12Å; F187-Y211 HydrophobicContact CZ-CD2 4.38Å; F187-Y211 AromaticContact CZ-CG 3.99Å; F187-Y211 HydrophobicContact CZ-CG 3.99Å; M203-Y211 HydrophobicContact CE-CD1 4.32Å; M203-Y211 HydrophobicContact CE-CD2 3.52Å; M203-Y211 HydrophobicContact CE-CE1 4.23Å; M203-Y211 HydrophobicContact CE-CE2 3.43Å; M203-Y211 VanDerWaalsContact CE-CE2 3.43Å; M203-Y211 HydrophobicContact CE-CG 4Å; Q208-Y211 HydrophobicContact CB-CE1 4.48Å; Q208-Y211 HydrophobicContact CB-CE2 4.47Å; Q208-Y211 HydrophobicContact CG-CE1 4.05Å; Q208-Y211 HydrophobicContact CG-CE2 4.13Å; Q208-Y211 VanDerWaalsContact O-CE2 3.27Å; Q208-Y211 WeakPolarHBondContact O-CE2 3.47Å; Q208-Y211 PolarHBondContact O-OH 2.83Å; Y211-V235 PolarHBondContact N-O 3.05Å; Y211-V235 PolarHBondContact O-N 3.35Å; Y211-L237 HydrophobicContact CD2-CG 4.39Å; Y211-L237 HydrophobicContact CE2-CD1 3.74Å; Y211-L237 HydrophobicContact CE2-CD2 4.44Å; Y211-L237 HydrophobicContact CE2-CG 3.92Å |
| 212 | L | 96.4 | Very high | 90.9 | Very high | 97 Ų | 97 | 49.7 Ų | 49.7 | 51% | 0.508 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 116.6 | 173.6 | -61.5 | 176.9 | 0 | 0 | 0 | 109.2 | T232 T234 | L212-T232 HydrophobicContact CB-CG2 4.23Å; L212-T232 HydrophobicContact CD2-CG2 4.28Å; L212-T234 HydrophobicContact CD2-CG2 4.12Å |
| 213 | V | 96.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 117 | 179.5 | -172.1 | 0 | 0 | 0 | 0 | 108.8 | I180 Q182 F187 L196 L215 T232 V233 V235 | I180-V213 HydrophobicContact CG1-CG1 4.38Å; I180-V213 HydrophobicContact CG2-CG1 4.08Å; Q182-V213 WeakPolarHBondContact O-CG1 3.28Å; F187-V213 HydrophobicContact CD2-CG1 4.49Å; F187-V213 HydrophobicContact CD2-CG2 3.3Å; F187-V213 HydrophobicContact CE2-CG2 3.4Å; F187-V213 VanDerWaalsContact CE2-CG2 3.4Å; F187-V213 HydrophobicContact CG-CG2 3.94Å; F187-V213 HydrophobicContact CZ-CG2 4.1Å; L196-V213 HydrophobicContact CD1-CG1 4.18Å; L196-V213 HydrophobicContact CD2-CG2 4.46Å; V213-L215 HydrophobicContact CG1-CD2 4.49Å; V213-L215 HydrophobicContact CG1-CG 4.35Å; V213-T232 WeakPolarHBondContact O-CA 3.24Å; V213-V233 HydrophobicContact CB-CB 4.48Å; V213-V233 PolarHBondContact N-O 2.97Å; V213-V233 PolarHBondContact O-N 3.42Å; V213-V235 HydrophobicContact CG2-CG2 4.06Å |
| 214 | V | 97.1 | Very high | 87.4 | Confident | 29 Ų | 29 | 61.5 Ų | 61.5 | 18% | 0.176 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 114.3 | 176.3 | -175.5 | 0 | 0 | 0 | 0 | 108.3 | L181 Q182 T231 | L181-V214 HydrophobicContact CB-CB 4.38Å; L181-V214 HydrophobicContact CB-CG1 4.18Å; L181-V214 HydrophobicContact CD1-CG1 4.25Å; L181-V214 PolarHBondContact N-O 2.85Å; Q182-V214 HydrophobicContact CB-CB 3.92Å; Q182-V214 HydrophobicContact CB-CG2 3.99Å; Q182-V214 PolarHBondContact N-O 2.85Å; Q182-V214 PolarHBondContact O-N 3.35Å; Q182-V214 VanDerWaalsContact O-N 3.14Å; V214-T231 WeakPolarHBondContact CA-O 3.26Å |
| 215 | L | 96.4 | Very high | 86 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 151 | 177.6 | -71.4 | 168.5 | 0 | 0 | 0 | 110.5 | V160 G179 I180 V189 L196 V213 T230 T231 V233 | V160-L215 HydrophobicContact CB-CD1 4.27Å; V160-L215 HydrophobicContact CG1-CD1 3.63Å; V160-L215 HydrophobicContact CG2-CD1 3.66Å; G179-L215 CarbonylContact O-C 3.6Å; G179-L215 WeakPolarHBondContact O-CA 3.17Å; G179-L215 WeakPolarHBondContact O-CD2 3.35Å; I180-L215 HydrophobicContact CB-CD2 4.36Å; I180-L215 HydrophobicContact CG1-CD2 3.43Å; I180-L215 VanDerWaalsContact CG1-CD2 3.43Å; V189-L215 HydrophobicContact CB-CD2 3.94Å; V189-L215 HydrophobicContact CG1-CD2 4.08Å; V189-L215 HydrophobicContact CG2-CD2 4.04Å; L196-L215 HydrophobicContact CD1-CD1 4.49Å; L196-L215 HydrophobicContact CD1-CD2 4.27Å; V213-L215 HydrophobicContact CG1-CD2 4.49Å; V213-L215 HydrophobicContact CG1-CG 4.35Å; L215-T230 CarbonylContact O-C 3.56Å; L215-T230 WeakPolarHBondContact O-CA 3.12Å; L215-T231 HydrophobicContact CB-CG2 3.96Å; L215-T231 PolarHBondContact N-O 2.75Å; L215-T231 PolarHBondContact O-N 3.39Å; L215-V233 HydrophobicContact CD1-CG2 3.51Å; L215-V233 HydrophobicContact CG-CG2 4.44Å |
| 216 | Q | 95.4 | Very high | 85.3 | Confident | 45 Ų | 45 | 61.3 Ų | 61.3 | 21% | 0.21 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 133.9 | 173.2 | 177.8 | 175.3 | 70.2 | 0 | 0 | 109.3 | Y178 G179 L181 T228 G229 T230 | Y178-Q216 CarbonylContact C-O 3.59Å; Y178-Q216 WeakPolarHBondContact CA-O 3.39Å; G179-Q216 PolarHBondContact N-O 2.75Å; G179-Q216 PolarHBondContact O-N 2.82Å; L181-Q216 HydrophobicContact CD1-CB 3.89Å; L181-Q216 HydrophobicContact CD2-CB 4.22Å; L181-Q216 HydrophobicContact CG-CB 3.79Å; Q216-T228 HydrophobicContact CG-CG2 4.15Å; Q216-T228 VanDerWaalsContact NE2-CB 3.3Å; Q216-T228 VanDerWaalsContact NE2-CG2 3.33Å; Q216-T228 PolarHBondContact NE2-OG1 2.82Å; Q216-G229 CarbonylContact C-O 3.6Å; Q216-G229 VanDerWaalsContact CA-O 3.28Å; Q216-G229 WeakPolarHBondContact CA-O 3.42Å; Q216-T230 HydrophobicContact CB-CG2 4.33Å; Q216-T230 HydrophobicContact CG-CG2 4.42Å |
| 217 | A | 95.1 | Very high | 85 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 126 | 160 | 0 | 0 | 0 | 0 | 0 | 107.3 | P136 F138 A162 Y178 T228 G229 | P136-A217 HydrophobicContact CB-CB 3.94Å; F138-A217 HydrophobicContact CE1-CB 4.41Å; F138-A217 HydrophobicContact CE2-CB 3.85Å; F138-A217 HydrophobicContact CZ-CB 3.53Å; A162-A217 HydrophobicContact CB-CB 3.46Å; A162-A217 VanDerWaalsContact CB-CB 3.46Å; Y178-A217 HydrophobicContact CD1-CB 4.16Å; Y178-A217 HydrophobicContact CE1-CB 4.06Å; A217-T228 CarbonylContact O-C 3.58Å; A217-T228 VanDerWaalsContact O-CA 3.3Å; A217-T228 WeakPolarHBondContact O-CA 3.21Å; A217-G229 PolarHBondContact N-O 3.1Å; A217-G229 PolarHBondContact O-N 2.83Å |
| 218 | K | 91.8 | Very high | 84.9 | Confident | 92 Ų | 92 | 59 Ų | 59 | 40% | 0.4 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 128.4 | 178.3 | 177.7 | 163.6 | -174.7 | 177.4 | 0 | 109.2 | L176 V177 L227 T228 | L176-K218 WeakPolarHBondContact CA-O 3.28Å; V177-K218 PolarHBondContact N-O 2.98Å; V177-K218 PolarHBondContact O-N 2.87Å; K218-L227 WeakPolarHBondContact CA-O 3.43Å; K218-T228 HydrophobicContact CB-CG2 3.91Å; K218-T228 HydrophobicContact CD-CG2 3.88Å; K218-T228 HydrophobicContact CG-CG2 3.79Å |
| 219 | D | 89.4 | Confident | 84.9 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.011 | 31% | 0.31 | C | S | . | . | trans | -73.9 | 165.8 | 171.2 | 74.1 | 45.1 | 0 | 0 | 0 | 111.9 | N132 P136 S173 L176 G221 G226 L227 | N132-D219 PolarHBondContact ND2-OD1 3.27Å; N132-D219 PolarHBondContact ND2-OD2 3.29Å; N132-D219 PolarHBondContact OD1-OD1 3.48Å; N132-D219 PolarHBondContact OD1-OD2 2.65Å; P136-D219 HydrophobicContact CG-CB 4.18Å; S173-D219 WeakPolarHBondContact O-CB 3.46Å; L176-D219 HydrophobicContact CD2-CB 4.1Å; D219-G221 PolarHBondContact OD1-N 3.05Å; D219-G226 WeakPolarHBondContact OD1-CA 3.27Å; D219-L227 VanDerWaalsContact CG-N 3.26Å; D219-L227 PolarHBondContact N-O 2.78Å; D219-L227 PolarHBondContact OD1-N 2.78Å; D219-L227 VanDerWaalsContact OD1-N 3.08Å; D219-L227 VanDerWaalsContact OD2-CA 3.28Å; D219-L227 WeakPolarHBondContact OD2-CA 3.24Å; D219-L227 WeakPolarHBondContact OD2-CB 3.27Å; D219-L227 PolarHBondContact OD2-N 2.74Å | ||
| 220 | M | 78 | Confident | 84.9 | Confident | 78 Ų | 78 | 54.4 Ų | 54.4 | 38% | 0.384 | 31% | 0.309 | S | S | . | . | trans | -106.1 | 43.4 | 177.3 | -68.3 | -153.2 | -139.2 | 0 | 0 | 111.8 | N172 R175 V177 G222 | N172-M220 HydrophobicContact CB-CB 3.86Å; N172-M220 CarbonylContact O-C 3.46Å; N172-M220 PolarHBondContact O-N 3.04Å; R175-M220 HydrophobicContact CG-CE 4.24Å; R175-M220 PolarHBondContact O-N 3.41Å; V177-M220 HydrophobicContact CG2-CE 3.24Å; V177-M220 HydrophobicContact CG2-CG 4.01Å; V177-M220 HydrophobicContact CG2-SD 4.28Å; M220-G222 PolarHBondContact O-N 3.32Å | ||
| 221 | G | 65.8 | Low | 84.9 | Confident | 11 Ų | 11 | 51.2 Ų | 51.2 | 11% | 0.113 | 29% | 0.294 | C | S | . | . | trans | -56.7 | 43.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | N132 D219 | N132-G221 WeakPolarHBondContact OD1-CA 3.14Å; D219-G221 PolarHBondContact OD1-N 3.05Å | ||
| 222 | G | 63.1 | Low | 85 | Confident | 51 Ų | 51 | 53.2 Ų | 53.2 | 53% | 0.526 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | 61 | -140.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | M220 L224 | M220-G222 PolarHBondContact O-N 3.32Å; G222-L224 VanDerWaalsContact C-N 3.3Å; G222-L224 PolarHBondContact O-N 3.12Å |
| 223 | H | 48.5 | Very low | 85.1 | Confident | 197 Ų | 197 | 48.6 Ų | 48.6 | 91% | 0.912 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -75.5 | -13.9 | -170.3 | -167.9 | 60.9 | 0 | 0 | 0 | 114.2 | ||
| 224 | L | 58.8 | Low | 85.1 | Confident | 171 Ų | 171 | 50 Ų | 50 | 90% | 0.895 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -89.6 | -9.5 | -178 | -66.8 | 170.6 | 0 | 0 | 0 | 113 | G222 | G222-L224 VanDerWaalsContact C-N 3.3Å; G222-L224 PolarHBondContact O-N 3.12Å |
| 225 | G | 64.6 | Low | 85.1 | Confident | 46 Ų | 46 | 48.6 Ų | 48.6 | 47% | 0.474 | 29% | 0.285 | S | S | . | . | trans | 86.5 | 131.4 | -178 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 226 | G | 81.9 | Confident | 85.2 | Confident | 18 Ų | 18 | 52.6 Ų | 52.6 | 19% | 0.186 | 30% | 0.303 | C | S | . | . | trans | -73.1 | 151 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | D219 | D219-G226 WeakPolarHBondContact OD1-CA 3.27Š| ||
| 227 | L | 89.3 | Confident | 85.2 | Confident | 63 Ų | 63 | 51 Ų | 51 | 33% | 0.33 | 30% | 0.296 | S | S | . | . | trans | -77.9 | 163.7 | 173.1 | -54.3 | 171.3 | 0 | 0 | 0 | 110.2 | N132 P135 K218 D219 | N132-L227 WeakPolarHBondContact ND2-CD1 3.48Å; N132-L227 WeakPolarHBondContact ND2-CG 3.35Å; P135-L227 HydrophobicContact CB-CB 4.04Å; P135-L227 HydrophobicContact CB-CD1 4.35Å; K218-L227 WeakPolarHBondContact CA-O 3.43Å; D219-L227 VanDerWaalsContact CG-N 3.26Å; D219-L227 PolarHBondContact N-O 2.78Å; D219-L227 PolarHBondContact OD1-N 2.78Å; D219-L227 VanDerWaalsContact OD1-N 3.08Å; D219-L227 VanDerWaalsContact OD2-CA 3.28Å; D219-L227 WeakPolarHBondContact OD2-CA 3.24Å; D219-L227 WeakPolarHBondContact OD2-CB 3.27Å; D219-L227 PolarHBondContact OD2-N 2.74Å | ||
| 228 | T | 92.5 | Very high | 85.2 | Confident | 61 Ų | 61 | 53.1 Ų | 53.1 | 37% | 0.374 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 131 | -172.7 | 63.9 | 0 | 0 | 0 | 0 | 111.9 | Q216 A217 K218 | Q216-T228 HydrophobicContact CG-CG2 4.15Å; Q216-T228 VanDerWaalsContact NE2-CB 3.3Å; Q216-T228 VanDerWaalsContact NE2-CG2 3.33Å; Q216-T228 PolarHBondContact NE2-OG1 2.82Å; A217-T228 CarbonylContact O-C 3.58Å; A217-T228 VanDerWaalsContact O-CA 3.3Å; A217-T228 WeakPolarHBondContact O-CA 3.21Å; K218-T228 HydrophobicContact CB-CG2 3.91Å; K218-T228 HydrophobicContact CD-CG2 3.88Å; K218-T228 HydrophobicContact CG-CG2 3.79Å |
| 229 | G | 94.1 | Very high | 85.3 | Confident | 9 Ų | 9 | 50.2 Ų | 50.2 | 9% | 0.093 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 150.2 | 162.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | P136 Q216 A217 | P136-G229 WeakPolarHBondContact O-CA 3.26Å; Q216-G229 CarbonylContact C-O 3.6Å; Q216-G229 VanDerWaalsContact CA-O 3.28Å; Q216-G229 WeakPolarHBondContact CA-O 3.42Å; A217-G229 PolarHBondContact N-O 3.1Å; A217-G229 PolarHBondContact O-N 2.83Å |
| 230 | T | 96.3 | Very high | 85.4 | Confident | 78 Ų | 78 | 50.5 Ų | 50.5 | 48% | 0.479 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 143.9 | 175.5 | 57.8 | 0 | 0 | 0 | 0 | 111.2 | L181 L215 Q216 | L181-T230 HydrophobicContact CD1-CG2 3.65Å; L215-T230 CarbonylContact O-C 3.56Å; L215-T230 WeakPolarHBondContact O-CA 3.12Å; Q216-T230 HydrophobicContact CB-CG2 4.33Å; Q216-T230 HydrophobicContact CG-CG2 4.42Å |
| 231 | T | 96.6 | Very high | 86 | Confident | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.018 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 160.2 | 173.1 | -169.1 | 0 | 0 | 0 | 0 | 110.5 | F138 E141 Y143 V160 V214 L215 | F138-T231 HydrophobicContact CD1-CG2 3.54Å; F138-T231 HydrophobicContact CD2-CG2 3.95Å; F138-T231 HydrophobicContact CE1-CG2 3.51Å; F138-T231 HydrophobicContact CE2-CG2 3.93Å; F138-T231 HydrophobicContact CG-CG2 3.75Å; F138-T231 HydrophobicContact CZ-CG2 3.7Å; E141-T231 WeakPolarHBondContact CG-OG1 3.32Å; E141-T231 WeakPolarHBondContact OE1-CA 3.08Å; E141-T231 WeakPolarHBondContact OE1-CB 3.44Å; E141-T231 PolarHBondContact OE1-OG1 3.23Å; Y143-T231 HydrophobicContact CD2-CG2 4.1Å; Y143-T231 WeakPolarHBondContact CD2-OG1 3.44Å; Y143-T231 HydrophobicContact CE2-CG2 4.04Å; V160-T231 HydrophobicContact CG1-CG2 4.41Å; V214-T231 WeakPolarHBondContact CA-O 3.26Å; L215-T231 HydrophobicContact CB-CG2 3.96Å; L215-T231 PolarHBondContact N-O 2.75Å; L215-T231 PolarHBondContact O-N 3.39Å |
| 232 | T | 97.3 | Very high | 87.1 | Confident | 66 Ų | 66 | 46.4 Ų | 46.4 | 41% | 0.405 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 126.1 | 174.5 | -54.7 | 0 | 0 | 0 | 0 | 110.1 | L212 V213 | L212-T232 HydrophobicContact CB-CG2 4.23Å; L212-T232 HydrophobicContact CD2-CG2 4.28Å; V213-T232 WeakPolarHBondContact O-CA 3.24Å |
| 233 | V | 97.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 124.6 | 172.8 | -175.8 | 0 | 0 | 0 | 0 | 108.9 | Y143 T158 V160 L196 V213 L215 V235 | Y143-V233 HydrophobicContact CD2-CG2 4.46Å; Y143-V233 HydrophobicContact CG-CG2 4.3Å; Y143-V233 WeakPolarHBondContact O-CA 3.1Å; T158-V233 HydrophobicContact CG2-CG1 3.92Å; V160-V233 HydrophobicContact CG1-CG2 3.58Å; L196-V233 HydrophobicContact CD2-CB 4.4Å; L196-V233 HydrophobicContact CD2-CG1 4.11Å; V213-V233 HydrophobicContact CB-CB 4.48Å; V213-V233 PolarHBondContact N-O 2.97Å; V213-V233 PolarHBondContact O-N 3.42Å; L215-V233 HydrophobicContact CD1-CG2 3.51Å; L215-V233 HydrophobicContact CG-CG2 4.44Å; V233-V235 HydrophobicContact CG1-CG2 3.98Å |
| 234 | T | 97.9 | Very high | 90.4 | Very high | 29 Ų | 29 | 37.3 Ų | 37.3 | 18% | 0.178 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 111 | 171.2 | -53.6 | 0 | 0 | 0 | 0 | 109 | Y143 V144 A145 E210 L212 K236 | Y143-T234 PolarHBondContact O-N 3.49Å; V144-T234 WeakPolarHBondContact CA-O 3.31Å; A145-T234 PolarHBondContact N-O 3.18Å; E210-T234 HydrophobicContact CG-CG2 3.73Å; E210-T234 WeakPolarHBondContact OE1-CG2 3.38Å; L212-T234 HydrophobicContact CD2-CG2 4.12Å; T234-K236 HydrophobicContact CG2-CG 4.39Å |
| 235 | V | 97.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 117.7 | 178 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | V147 I157 F187 L196 E210 Y211 V213 V233 | V147-V235 HydrophobicContact CG1-CG1 3.71Å; I157-V235 HydrophobicContact CD1-CG1 4.34Å; I157-V235 HydrophobicContact CG2-CG1 4.09Å; I157-V235 HydrophobicContact CG2-CG2 4.18Å; F187-V235 HydrophobicContact CE1-CB 4.4Å; F187-V235 HydrophobicContact CE1-CG1 4Å; F187-V235 HydrophobicContact CE1-CG2 4.32Å; F187-V235 HydrophobicContact CZ-CB 4.15Å; F187-V235 HydrophobicContact CZ-CG1 4.1Å; F187-V235 HydrophobicContact CZ-CG2 4.29Å; L196-V235 HydrophobicContact CD2-CG2 3.97Å; E210-V235 WeakPolarHBondContact CA-O 3.45Å; Y211-V235 PolarHBondContact N-O 3.05Å; Y211-V235 PolarHBondContact O-N 3.35Å; V213-V235 HydrophobicContact CG2-CG2 4.06Å; V233-V235 HydrophobicContact CG1-CG2 3.98Å |
| 236 | K | 97.3 | Very high | 93.4 | Very high | 84 Ų | 84 | 31.4 Ų | 31.4 | 37% | 0.365 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 138.9 | 175.3 | -58.9 | -169.5 | 179.8 | -129.7 | 0 | 110.4 | A145 V146 V147 D209 E210 T234 | A145-K236 PolarHBondContact O-N 2.94Å; V146-K236 CarbonylContact C-O 3.37Å; V146-K236 VanDerWaalsContact CA-O 3.26Å; V146-K236 WeakPolarHBondContact CA-O 3.41Å; V146-K236 HydrophobicContact CG2-CB 4.36Å; V147-K236 PolarHBondContact N-O 3.06Å; D209-K236 WeakPolarHBondContact O-CA 3.46Å; E210-K236 HydrophobicContact CG-CG 4.22Å; E210-K236 WeakPolarHBondContact OE2-CE 3.41Å; E210-K236 IonicContact OE2-NZ 2.87Å; E210-K236 PolarHBondContact OE2-NZ 2.95Å; T234-K236 HydrophobicContact CG2-CG 4.39Å |
| 237 | L | 96.8 | Very high | 94.1 | Very high | 13 Ų | 13 | 31.3 Ų | 31.3 | 7% | 0.068 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 128.7 | 173 | -62.4 | -170.6 | 0 | 0 | 0 | 110.1 | V147 E149 M203 R205 Q208 D209 Y211 | V147-L237 HydrophobicContact CG1-CD2 3.6Å; V147-L237 CarbonylContact O-C 3.54Å; V147-L237 VanDerWaalsContact O-CA 3.26Å; V147-L237 WeakPolarHBondContact O-CA 3.45Å; E149-L237 HydrophobicContact CB-CB 4.38Å; E149-L237 HydrophobicContact CB-CD1 4.1Å; M203-L237 HydrophobicContact CB-CD1 4.04Å; M203-L237 HydrophobicContact CB-CD2 4.44Å; M203-L237 HydrophobicContact CE-CD2 3.86Å; R205-L237 HydrophobicContact CB-CB 4Å; R205-L237 HydrophobicContact CB-CD1 4.33Å; R205-L237 HydrophobicContact CG-CB 4.02Å; Q208-L237 WeakPolarHBondContact O-CD1 3.42Å; D209-L237 PolarHBondContact O-N 3.32Å; Y211-L237 HydrophobicContact CD2-CG 4.39Å; Y211-L237 HydrophobicContact CE2-CD1 3.74Å; Y211-L237 HydrophobicContact CE2-CD2 4.44Å; Y211-L237 HydrophobicContact CE2-CG 3.92Å |
| 238 | S | 95.1 | Very high | 94.3 | Very high | 44 Ų | 44 | 37.2 Ų | 37.2 | 31% | 0.308 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 137.8 | 165.2 | 62.5 | 0 | 0 | 0 | 0 | 109.8 | V147 P148 E149 | V147-S238 PolarHBondContact O-N 3.13Å; P148-S238 WeakPolarHBondContact CA-OG 3.17Å; E149-S238 PolarHBondContact N-O 3.36Å |
| 239 | D | 93.6 | Very high | 94.4 | Very high | 31 Ų | 31 | 41.4 Ų | 41.4 | 17% | 0.166 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -62.5 | 143.4 | -178.1 | -166.2 | 90.4 | 0 | 0 | 0 | 113.2 | E149 R205 L276 N279 | E149-D239 VanDerWaalsContact OE1-CA 3.31Å; E149-D239 WeakPolarHBondContact OE1-CA 3.38Å; R205-D239 IonicContact CZ-OD1 3.48Å; R205-D239 IonicContact NE-OD1 2.7Å; R205-D239 PolarHBondContact NE-OD1 2.91Å; R205-D239 IonicContact NH2-OD1 4Å; D239-L276 HydrophobicContact CB-CB 4.04Å; D239-L276 WeakPolarHBondContact OD1-CB 3.46Å; D239-L276 PolarHBondContact OD1-N 2.82Å; D239-L276 PolarHBondContact OD2-N 3.17Å; D239-N279 PolarHBondContact O-ND2 2.82Å; D239-N279 WeakPolarHBondContact OD2-CB 3.22Å; D239-N279 PolarHBondContact OD2-ND2 2.85Å |
| 240 | V | 90.9 | Very high | 94.5 | Very high | 8 Ų | 8 | 45.6 Ų | 45.6 | 5% | 0.048 | 23% | 0.23 | C | C | . | . | trans | -134.8 | 137.3 | 176.5 | 172.8 | 0 | 0 | 0 | 0 | 107.6 | P148 E149 D242 F335 | P148-V240 HydrophobicContact CB-CG2 4.1Å; E149-V240 HydrophobicContact CG-CB 3.77Å; E149-V240 HydrophobicContact CG-CG2 3.88Å; E149-V240 PolarHBondContact OE1-N 3.08Å; V240-D242 PolarHBondContact O-N 3.14Å; V240-F335 HydrophobicContact CB-CE2 4.49Å; V240-F335 HydrophobicContact CG1-CD2 3.55Å; V240-F335 HydrophobicContact CG1-CE2 3.09Å; V240-F335 HydrophobicContact CG1-CG 4.49Å; V240-F335 HydrophobicContact CG1-CZ 3.68Å | ||
| 241 | N | 90.7 | Very high | 94.5 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.011 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -70.6 | 92.2 | 178.9 | -168.2 | -14.3 | 0 | 0 | 0 | 111.3 | D275 N279 N328 V330 F341 | N241-D275 VanDerWaalsContact CA-OD2 3.29Å; N241-D275 WeakPolarHBondContact CA-OD2 3.25Å; N241-D275 PolarHBondContact OD1-OD2 2.96Å; N241-N279 HydrophobicContact CB-CB 3.81Å; N241-N279 PolarHBondContact N-ND2 2.89Å; N241-N328 VanDerWaalsContact ND2-CG 3.27Å; N241-N328 PolarHBondContact ND2-ND2 3.43Å; N241-N328 VanDerWaalsContact ND2-ND2 3.2Å; N241-N328 PolarHBondContact ND2-OD1 2.75Å; N241-V330 PolarHBondContact ND2-O 2.67Å; N241-F341 HydrophobicContact CB-CE1 4.36Å; N241-F341 WeakPolarHBondContact O-CE1 3.47Å; N241-F341 WeakPolarHBondContact O-CZ 3.11Å; N241-F341 VanDerWaalsContact OD1-CD1 3.27Å; N241-F341 WeakPolarHBondContact OD1-CD1 3.35Å; N241-F341 WeakPolarHBondContact OD1-CE1 3.36Å |
| 242 | D | 89.2 | Confident | 94.5 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | trans | -127.3 | -6.2 | -175.4 | 86.5 | -37.6 | 0 | 0 | 0 | 112.5 | M150 V240 D275 F335 K338 | M150-D242 HydrophobicContact SD-CB 4.11Å; V240-D242 PolarHBondContact O-N 3.14Å; D242-D275 PolarHBondContact N-OD2 2.83Å; D242-F335 HydrophobicContact CB-CB 4.41Å; D242-F335 HydrophobicContact CB-CD1 3.96Å; D242-F335 HydrophobicContact CB-CE1 4.45Å; D242-F335 HydrophobicContact CB-CG 4.06Å; D242-K338 HydrophobicContact CB-CD 4Å; D242-K338 WeakPolarHBondContact O-CD 3.23Å; D242-K338 IonicContact OD2-NZ 3.7Å; D242-K338 PolarHBondContact OD2-NZ 3.39Å | ||
| 243 | N | 90.1 | Very high | 94.5 | Very high | 40 Ų | 40 | 45.7 Ų | 45.7 | 21% | 0.214 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -111.1 | 117.6 | 172.1 | -62.5 | -77.1 | 0 | 0 | 0 | 111.2 | P274 D275 | N243-P274 HydrophobicContact CB-CB 4.18Å; N243-P274 HydrophobicContact CB-CG 3.87Å; N243-D275 VanDerWaalsContact CB-OD1 3.26Å; N243-D275 WeakPolarHBondContact CB-OD1 3.39Å; N243-D275 PolarHBondContact N-OD2 2.79Å; N243-D275 PolarHBondContact ND2-OD1 3.1Å |
| 244 | P | 90.6 | Very high | 94.5 | Very high | 16 Ų | 16 | 47.4 Ų | 47.4 | 10% | 0.104 | 24% | 0.242 | C | C | . | . | trans | -68.7 | 149.6 | 175.7 | 27.4 | -31.9 | 0 | 0 | 0 | 111.5 | H246 P340 | P244-H246 PolarHBondContact O-CD2 2.84Å; P244-H246 PolarHBondContact O-NE2 2.91Å; P244-P340 WeakPolarHBondContact CB-O 3.38Å | ||
| 245 | P | 93.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | trans | -68.3 | 145.2 | 176.6 | 30.4 | -37.2 | 0 | 0 | 0 | 110.6 | D273 L282 V326 N328 D343 | P245-D273 HydrophobicContact CB-CB 4.26Å; P245-L282 HydrophobicContact CB-CD2 3.4Å; P245-L282 HydrophobicContact CG-CD2 4.33Å; P245-V326 HydrophobicContact CB-CG1 4.24Å; P245-V326 HydrophobicContact CB-CG2 4.2Å; P245-V326 HydrophobicContact CG-CG1 4.45Å; P245-N328 HydrophobicContact CG-CB 4.27Å; P245-D343 WeakPolarHBondContact O-CB 3.34Å | ||
| 246 | H | 93.5 | Very high | 94.4 | Very high | 93 Ų | 93 | 49.6 Ų | 49.6 | 43% | 0.431 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 136.5 | -179 | -68.6 | -55.3 | 0 | 0 | 0 | 112.8 | P244 A271 T272 D343 | P244-H246 PolarHBondContact O-CD2 2.84Å; P244-H246 PolarHBondContact O-NE2 2.91Å; H246-A271 CarbonylContact O-C 3.54Å; H246-A271 WeakPolarHBondContact O-CA 3.5Å; H246-A271 WeakPolarHBondContact O-CB 3.33Å; H246-T272 PolarHBondContact N-O 3.48Å; H246-T272 PolarHBondContact O-N 3.35Å; H246-D343 WeakPolarHBondContact CA-OD2 3.21Å; H246-D343 IonicContact ND1-OD2 3.07Å |
| 247 | F | 95.6 | Very high | 94.3 | Very high | 16 Ų | 16 | 47.7 Ų | 47.7 | 7% | 0.07 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 141.4 | 167.6 | -75 | -73.5 | 0 | 0 | 0 | 110.7 | R249 L269 A271 F284 V324 V326 D343 A345 | F247-R249 WeakPolarHBondContact CB-O 3.28Å; F247-R249 PolarHBondContact O-N 2.71Å; F247-R249 VanDerWaalsContact O-N 3.15Å; F247-L269 HydrophobicContact CD1-CB 4.34Å; F247-L269 HydrophobicContact CE1-CB 4.01Å; F247-L269 HydrophobicContact CE1-CD1 4.09Å; F247-A271 HydrophobicContact CD1-CB 3.94Å; F247-A271 HydrophobicContact CE1-CB 4.23Å; F247-A271 HydrophobicContact CG-CB 4.47Å; F247-F284 HydrophobicContact CE1-CD1 4.09Å; F247-F284 AromaticContact CE1-CE1 3.84Å; F247-F284 HydrophobicContact CE1-CE1 3.84Å; F247-F284 HydrophobicContact CZ-CD1 4.08Å; F247-F284 HydrophobicContact CZ-CE1 4.19Å; F247-V324 VanDerWaalsContact CE2-O 3.3Å; F247-V324 WeakPolarHBondContact CE2-O 3.42Å; F247-V324 HydrophobicContact CZ-CB 4.41Å; F247-V324 HydrophobicContact CZ-CG1 4.08Å; F247-V326 HydrophobicContact CD2-CB 4.47Å; F247-V326 HydrophobicContact CD2-CG1 3.72Å; F247-V326 HydrophobicContact CE1-CB 4.23Å; F247-V326 HydrophobicContact CE1-CG1 4.36Å; F247-V326 HydrophobicContact CE2-CB 3.76Å; F247-V326 HydrophobicContact CE2-CG1 3.43Å; F247-V326 VanDerWaalsContact CE2-CG1 3.43Å; F247-V326 HydrophobicContact CG-CG1 4.32Å; F247-V326 HydrophobicContact CZ-CB 3.61Å; F247-V326 HydrophobicContact CZ-CG1 3.79Å; F247-D343 HydrophobicContact CD2-CB 4.38Å; F247-D343 WeakPolarHBondContact CE2-O 3.48Å; F247-D343 PolarHBondContact N-OD2 3.41Å; F247-A345 HydrophobicContact CB-CB 4.09Å; F247-A345 HydrophobicContact CD1-CB 4.18Å; F247-A345 HydrophobicContact CD2-CB 3.52Å; F247-A345 HydrophobicContact CE2-CB 3.87Å; F247-A345 HydrophobicContact CG-CB 3.67Å; F247-A345 HydrophobicContact CZ-CB 4.36Å |
| 248 | R | 94.1 | Very high | 94.3 | Very high | 187 Ų | 187 | 47.3 Ų | 47.3 | 71% | 0.706 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -62.4 | -23.1 | 174.2 | -74.7 | -160 | 174.9 | -139 | -1.1 | 113.6 | W252 T270 | R248-W252 HydrophobicContact CB-CZ2 4.46Å; R248-T270 WeakPolarHBondContact CB-OG1 3.26Å; R248-T270 WeakPolarHBondContact CD-OG1 3.44Å; R248-T270 WeakPolarHBondContact CG-OG1 3.16Å; R248-T270 PolarHBondContact N-O 2.84Å |
| 249 | R | 94.8 | Very high | 94.2 | Very high | 149 Ų | 149 | 50.1 Ų | 50.1 | 56% | 0.562 | 26% | 0.264 | S | S | * | . | trans | -142 | 139.5 | 179.4 | -50.5 | 176.6 | 74 | -176 | 1.8 | 108.4 | F247 A251 W252 | F247-R249 WeakPolarHBondContact CB-O 3.28Å; F247-R249 PolarHBondContact O-N 2.71Å; F247-R249 VanDerWaalsContact O-N 3.15Å; R249-A251 VanDerWaalsContact C-N 3.27Å; R249-A251 PolarHBondContact O-N 2.98Å; R249-W252 HydrophobicContact CB-CD2 4.39Å; R249-W252 HydrophobicContact CB-CZ2 3.85Å; R249-W252 HydrophobicContact CG-CH2 4.15Å; R249-W252 HydrophobicContact CG-CZ2 3.82Å; R249-W252 PolarHBondContact O-NE1 3.08Å | ||
| 250 | S | 94.9 | Very high | 94.3 | Very high | 98 Ų | 98 | 49.3 Ų | 49.3 | 69% | 0.685 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -74.1 | -18.9 | 174.5 | 54.1 | 0 | 0 | 0 | 0 | 113.4 | A345 T346 | S250-A345 WeakPolarHBondContact O-CA 3.47Å; S250-T346 PolarHBondContact O-N 2.99Å |
| 251 | A | 96.4 | Very high | 94.5 | Very high | 51 Ų | 51 | 51.6 Ų | 51.6 | 42% | 0.421 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 138.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R249 T346 | R249-A251 VanDerWaalsContact C-N 3.27Å; R249-A251 PolarHBondContact O-N 2.98Å; A251-T346 CarbonylContact C-O 3.56Å; A251-T346 VanDerWaalsContact CA-O 3.26Å; A251-T346 WeakPolarHBondContact CA-O 3.39Å |
| 252 | W | 97.3 | Very high | 94.7 | Very high | 31 Ų | 31 | 54.8 Ų | 54.8 | 12% | 0.117 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 145 | 179.9 | -61.5 | 81.3 | 0 | 0 | 0 | 110.1 | R248 R249 F254 L269 T346 V347 R348 | R248-W252 HydrophobicContact CB-CZ2 4.46Å; R249-W252 HydrophobicContact CB-CD2 4.39Å; R249-W252 HydrophobicContact CB-CZ2 3.85Å; R249-W252 HydrophobicContact CG-CH2 4.15Å; R249-W252 HydrophobicContact CG-CZ2 3.82Å; R249-W252 PolarHBondContact O-NE1 3.08Å; W252-F254 HydrophobicContact CB-CE2 3.79Å; W252-F254 HydrophobicContact CB-CZ 4.03Å; W252-F254 HydrophobicContact CD2-CZ 4.41Å; W252-F254 HydrophobicContact CE3-CE1 4.48Å; W252-F254 AromaticContact CE3-CZ 3.86Å; W252-F254 HydrophobicContact CE3-CZ 3.86Å; W252-L269 HydrophobicContact CB-CD2 3.69Å; W252-L269 VanDerWaalsContact CD1-CD2 3.41Å; W252-L269 HydrophobicContact CD2-CD2 3.47Å; W252-L269 VanDerWaalsContact CD2-CD2 3.47Å; W252-L269 HydrophobicContact CE3-CD2 4.13Å; W252-L269 HydrophobicContact CG-CD2 3.22Å; W252-T346 PolarHBondContact N-O 2.86Å; W252-V347 HydrophobicContact CB-CG2 4.41Å; W252-R348 PolarHBondContact O-N 2.99Å |
| 253 | S | 97.3 | Very high | 94.9 | Very high | 67 Ų | 67 | 57.4 Ų | 57.4 | 47% | 0.469 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 129.2 | 175.6 | -173.8 | 0 | 0 | 0 | 0 | 109.9 | R348 | S253-R348 CarbonylContact C-O 3.55Å; S253-R348 VanDerWaalsContact CA-O 3.23Å; S253-R348 WeakPolarHBondContact CA-O 3.47Å |
| 254 | F | 97.5 | Very high | 95.1 | Very high | 36 Ų | 36 | 58.5 Ų | 58.5 | 16% | 0.158 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 165.8 | 178.8 | -57.1 | -65.7 | 0 | 0 | 0 | 110 | W252 V266 R268 L269 I306 V347 R348 M350 | W252-F254 HydrophobicContact CB-CE2 3.79Å; W252-F254 HydrophobicContact CB-CZ 4.03Å; W252-F254 HydrophobicContact CD2-CZ 4.41Å; W252-F254 HydrophobicContact CE3-CE1 4.48Å; W252-F254 AromaticContact CE3-CZ 3.86Å; W252-F254 HydrophobicContact CE3-CZ 3.86Å; F254-V266 HydrophobicContact CB-CG1 4.03Å; F254-R268 WeakPolarHBondContact CZ-O 3.32Å; F254-L269 HydrophobicContact CE2-CD2 3.89Å; F254-L269 HydrophobicContact CZ-CD2 4.09Å; F254-I306 HydrophobicContact CE2-CD1 4.19Å; F254-V347 HydrophobicContact CD2-CG1 3.84Å; F254-V347 HydrophobicContact CE2-CG1 3.99Å; F254-R348 PolarHBondContact N-O 2.85Å; F254-M350 PolarHBondContact O-N 2.97Å |
| 255 | S | 96.6 | Very high | 95.4 | Very high | 65 Ų | 65 | 62 Ų | 62 | 46% | 0.455 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 136.7 | 175.2 | 58.7 | 0 | 0 | 0 | 0 | 110.2 | M350 | S255-M350 CarbonylContact C-O 3.43Å; S255-M350 WeakPolarHBondContact CA-O 3.29Å |
| 256 | V | 96.9 | Very high | 95.5 | Very high | 10 Ų | 10 | 62.6 Ų | 62.6 | 6% | 0.061 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 141.3 | 177.5 | 64.7 | 0 | 0 | 0 | 0 | 108.9 | A260 V266 L312 V349 M350 I351 L352 | V256-A260 HydrophobicContact CG2-CB 3.52Å; V256-V266 HydrophobicContact CB-CG1 4.33Å; V256-V266 HydrophobicContact CB-CG2 4.42Å; V256-V266 HydrophobicContact CG1-CG1 4.45Å; V256-V266 HydrophobicContact CG2-CG2 4.35Å; V256-L312 HydrophobicContact CG1-CD1 3.57Å; V256-L312 HydrophobicContact CG2-CD1 4.47Å; V256-V349 HydrophobicContact CG1-CG1 3.68Å; V256-M350 PolarHBondContact N-O 3.25Å; V256-I351 HydrophobicContact CG1-CD1 3.66Å; V256-I351 CarbonylContact O-C 3.46Å; V256-I351 WeakPolarHBondContact O-CA 3.29Å; V256-L352 PolarHBondContact O-N 3.13Å |
| 257 | S | 95.9 | Very high | 95.6 | Very high | 43 Ų | 43 | 58.5 Ų | 58.5 | 30% | 0.301 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 145.9 | 174.6 | 176.8 | 0 | 0 | 0 | 0 | 110.1 | L259 A260 | S257-L259 PolarHBondContact O-N 2.58Å; S257-L259 PolarHBondContact OG-N 3.42Å; S257-A260 WeakPolarHBondContact O-CB 3.38Å; S257-A260 PolarHBondContact O-N 3.39Å |
| 258 | E | 95.4 | Very high | 95.6 | Very high | 5 Ų | 5 | 62.9 Ų | 62.9 | 2% | 0.023 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -27.9 | 174.6 | 73.8 | -165.4 | 121.8 | 0 | 0 | 113.6 | A260 L312 Y314 I351 L352 N353 A354 | E258-A260 PolarHBondContact O-N 3.11Å; E258-A260 VanDerWaalsContact O-N 3.16Å; E258-L312 HydrophobicContact CB-CB 4.28Å; E258-Y314 WeakPolarHBondContact OE2-CB 3.23Å; E258-Y314 PolarHBondContact OE2-N 2.77Å; E258-I351 HydrophobicContact CB-CG2 3.88Å; E258-L352 PolarHBondContact N-O 2.75Å; E258-N353 VanDerWaalsContact OE1-CA 3.32Å; E258-N353 WeakPolarHBondContact OE1-CA 3.32Å; E258-N353 PolarHBondContact OE1-OD1 2.84Å; E258-A354 HydrophobicContact CG-CB 4.41Å; E258-A354 PolarHBondContact OE1-N 3.18Å |
| 259 | L | 93.2 | Very high | 95.7 | Very high | 104 Ų | 104 | 54 Ų | 54 | 55% | 0.545 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -0.6 | 174.2 | -59.6 | 179.6 | 0 | 0 | 0 | 113 | S257 A261 A354 | S257-L259 PolarHBondContact O-N 2.58Å; S257-L259 PolarHBondContact OG-N 3.42Å; L259-A261 PolarHBondContact O-N 3.15Å; L259-A354 HydrophobicContact CD1-CB 3.55Å; L259-A354 HydrophobicContact CG-CB 3.77Å |
| 260 | A | 95.1 | Very high | 95.7 | Very high | 13 Ų | 13 | 48.6 Ų | 48.6 | 11% | 0.107 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 125.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | V256 S257 E258 L308 | V256-A260 HydrophobicContact CG2-CB 3.52Å; S257-A260 WeakPolarHBondContact O-CB 3.38Å; S257-A260 PolarHBondContact O-N 3.39Å; E258-A260 PolarHBondContact O-N 3.11Å; E258-A260 VanDerWaalsContact O-N 3.16Å; A260-L308 HydrophobicContact CB-CD2 3.87Å; A260-L308 WeakPolarHBondContact O-CD2 3.44Å |
| 261 | A | 95.2 | Very high | 95.7 | Very high | 57 Ų | 57 | 44 Ų | 44 | 47% | 0.471 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 150.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L259 G263 V264 | L259-A261 PolarHBondContact O-N 3.15Å; A261-G263 PolarHBondContact O-N 2.8Å; A261-V264 WeakPolarHBondContact O-CB 3.37Å; A261-V264 VanDerWaalsContact O-CG2 3.25Å; A261-V264 WeakPolarHBondContact O-CG2 3.17Å; A261-V264 PolarHBondContact O-N 3.49Å |
| 262 | P | 95.5 | Very high | 95.6 | Very high | 68 Ų | 68 | 43.9 Ų | 43.9 | 44% | 0.442 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 139 | 166.5 | -27 | 36.5 | 0 | 0 | 0 | 111.6 | L308 L311 | P262-L308 CarbonylContact C-O 3.5Å; P262-L308 WeakPolarHBondContact CA-O 3.41Å; P262-L311 HydrophobicContact CG-CD2 4.39Å; P262-L311 HydrophobicContact CG-CG 4.41Å |
| 263 | G | 94 | Very high | 95.4 | Very high | 56 Ų | 56 | 42.6 Ų | 42.6 | 58% | 0.577 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.2 | -8.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | A261 V307 L308 | A261-G263 PolarHBondContact O-N 2.8Å; G263-V307 VanDerWaalsContact C-CG1 3.49Å; G263-V307 WeakPolarHBondContact O-CG1 3.44Å; G263-L308 PolarHBondContact N-O 3.02Å |
| 264 | V | 94.8 | Very high | 95.1 | Very high | 64 Ų | 64 | 42.5 Ų | 42.5 | 39% | 0.388 | 26% | 0.26 | S | S | . | . | trans | -72.9 | 138.3 | 176.4 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | A261 V266 V307 L308 | A261-V264 WeakPolarHBondContact O-CB 3.37Å; A261-V264 VanDerWaalsContact O-CG2 3.25Å; A261-V264 WeakPolarHBondContact O-CG2 3.17Å; A261-V264 PolarHBondContact O-N 3.49Å; V264-V266 PolarHBondContact O-N 3.2Å; V264-V307 WeakPolarHBondContact O-CA 3.44Å; V264-L308 PolarHBondContact O-N 3.07Å | ||
| 265 | E | 95.8 | Very high | 94.9 | Very high | 89 Ų | 89 | 40.9 Ų | 40.9 | 42% | 0.416 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 120.3 | 172.8 | -179.8 | 178.6 | 142.9 | 0 | 0 | 110.4 | R268 V305 | E265-R268 WeakPolarHBondContact OE1-CD 3.48Å; E265-R268 WeakPolarHBondContact OE1-CG 3.4Å; E265-R268 IonicContact OE1-CZ 3.6Å; E265-R268 IonicContact OE1-NE 3.56Å; E265-R268 PolarHBondContact OE1-NE 3.21Å; E265-R268 IonicContact OE1-NH2 3.54Å; E265-R268 IonicContact OE2-CZ 2.83Å; E265-R268 IonicContact OE2-NE 2.78Å; E265-R268 PolarHBondContact OE2-NE 3.23Å; E265-R268 IonicContact OE2-NH2 2.74Å; E265-R268 PolarHBondContact OE2-NH2 3.23Å; E265-V305 HydrophobicContact CB-CG1 4.4Å; E265-V305 HydrophobicContact CG-CG1 3.61Å |
| 266 | V | 96.3 | Very high | 94.7 | Very high | 13 Ų | 13 | 42.2 Ų | 42.2 | 8% | 0.079 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | -39.2 | 177.7 | 178 | 0 | 0 | 0 | 0 | 110.9 | F254 V256 V264 F295 I306 L308 V349 | F254-V266 HydrophobicContact CB-CG1 4.03Å; V256-V266 HydrophobicContact CB-CG1 4.33Å; V256-V266 HydrophobicContact CB-CG2 4.42Å; V256-V266 HydrophobicContact CG1-CG1 4.45Å; V256-V266 HydrophobicContact CG2-CG2 4.35Å; V264-V266 PolarHBondContact O-N 3.2Å; V266-F295 HydrophobicContact CG2-CD1 4.26Å; V266-F295 HydrophobicContact CG2-CE1 4.23Å; V266-I306 HydrophobicContact CB-CB 4.45Å; V266-I306 HydrophobicContact CB-CG2 4.17Å; V266-I306 PolarHBondContact N-O 2.63Å; V266-L308 HydrophobicContact CG2-CB 4.05Å; V266-V349 HydrophobicContact CG1-CG1 3.67Å; V266-V349 HydrophobicContact CG1-CG2 3.98Å |
| 267 | G | 94.8 | Very high | 94.4 | Very high | 6 Ų | 6 | 44.8 Ų | 44.8 | 6% | 0.062 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.9 | 170 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | I306 | G267-I306 PolarHBondContact O-N 2.96Å |
| 268 | R | 95.6 | Very high | 94.1 | Very high | 108 Ų | 108 | 48.8 Ų | 48.8 | 41% | 0.408 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 132.2 | 178.7 | -58.4 | -170.9 | -177.1 | -152.5 | -3.9 | 111.7 | F254 E265 E303 A304 V305 | F254-R268 WeakPolarHBondContact CZ-O 3.32Å; E265-R268 WeakPolarHBondContact OE1-CD 3.48Å; E265-R268 WeakPolarHBondContact OE1-CG 3.4Å; E265-R268 IonicContact OE1-CZ 3.6Å; E265-R268 IonicContact OE1-NE 3.56Å; E265-R268 PolarHBondContact OE1-NE 3.21Å; E265-R268 IonicContact OE1-NH2 3.54Å; E265-R268 IonicContact OE2-CZ 2.83Å; E265-R268 IonicContact OE2-NE 2.78Å; E265-R268 PolarHBondContact OE2-NE 3.23Å; E265-R268 IonicContact OE2-NH2 2.74Å; E265-R268 PolarHBondContact OE2-NH2 3.23Å; R268-E303 IonicContact CZ-OE2 3.6Å; R268-E303 IonicContact NH1-OE2 3.54Å; R268-E303 PolarHBondContact NH1-OE2 2.99Å; R268-A304 CarbonylContact C-O 3.56Å; R268-A304 VanDerWaalsContact CA-O 3.32Å; R268-A304 WeakPolarHBondContact CA-O 3.48Å; R268-V305 HydrophobicContact CG-CG2 4.31Å |
| 269 | L | 95.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 145.5 | 169.1 | -49.2 | 173 | 0 | 0 | 0 | 108.4 | F247 W252 F254 E303 A304 I306 V324 V347 | F247-L269 HydrophobicContact CD1-CB 4.34Å; F247-L269 HydrophobicContact CE1-CB 4.01Å; F247-L269 HydrophobicContact CE1-CD1 4.09Å; W252-L269 HydrophobicContact CB-CD2 3.69Å; W252-L269 VanDerWaalsContact CD1-CD2 3.41Å; W252-L269 HydrophobicContact CD2-CD2 3.47Å; W252-L269 VanDerWaalsContact CD2-CD2 3.47Å; W252-L269 HydrophobicContact CE3-CD2 4.13Å; W252-L269 HydrophobicContact CG-CD2 3.22Å; F254-L269 HydrophobicContact CE2-CD2 3.89Å; F254-L269 HydrophobicContact CZ-CD2 4.09Å; L269-E303 CarbonylContact O-C 3.57Å; L269-E303 WeakPolarHBondContact O-CA 3.3Å; L269-A304 HydrophobicContact CB-CB 4.02Å; L269-A304 HydrophobicContact CD1-CB 4.31Å; L269-A304 HydrophobicContact CG-CB 4.49Å; L269-A304 PolarHBondContact N-O 3.06Å; L269-A304 PolarHBondContact O-N 2.87Å; L269-I306 HydrophobicContact CD1-CD1 4.09Å; L269-I306 HydrophobicContact CD2-CD1 4.41Å; L269-I306 HydrophobicContact CG-CD1 4.16Å; L269-V324 HydrophobicContact CD1-CB 3.84Å; L269-V324 HydrophobicContact CD1-CG1 3.78Å; L269-V324 HydrophobicContact CD1-CG2 3.89Å; L269-V347 HydrophobicContact CD1-CG2 3.96Å; L269-V347 HydrophobicContact CD2-CG2 3.84Å |
| 270 | T | 95.5 | Very high | 93.7 | Very high | 37 Ų | 37 | 46.4 Ų | 46.4 | 23% | 0.227 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 129.2 | 173.7 | 58.2 | 0 | 0 | 0 | 0 | 109.7 | R248 E303 | R248-T270 WeakPolarHBondContact CB-OG1 3.26Å; R248-T270 WeakPolarHBondContact CD-OG1 3.44Å; R248-T270 WeakPolarHBondContact CG-OG1 3.16Å; R248-T270 PolarHBondContact N-O 2.84Å; T270-E303 HydrophobicContact CG2-CG 4.35Å |
| 271 | A | 94.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.008 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 158.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | H246 F247 L282 F284 R302 V326 | H246-A271 CarbonylContact O-C 3.54Å; H246-A271 WeakPolarHBondContact O-CA 3.5Å; H246-A271 WeakPolarHBondContact O-CB 3.33Å; F247-A271 HydrophobicContact CD1-CB 3.94Å; F247-A271 HydrophobicContact CE1-CB 4.23Å; F247-A271 HydrophobicContact CG-CB 4.47Å; A271-L282 HydrophobicContact CB-CD1 3.88Å; A271-F284 HydrophobicContact CB-CE1 3.83Å; A271-F284 HydrophobicContact CB-CZ 4.03Å; A271-R302 PolarHBondContact N-O 3.35Å; A271-R302 VanDerWaalsContact N-O 3.08Å; A271-V326 HydrophobicContact CB-CB 4.35Å; A271-V326 HydrophobicContact CB-CG1 4.18Å; A271-V326 HydrophobicContact CB-CG2 4.01Å |
| 272 | T | 93.5 | Very high | 93.4 | Very high | 49 Ų | 49 | 47.3 Ų | 47.3 | 30% | 0.301 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 136 | -178.9 | 51.4 | 0 | 0 | 0 | 0 | 109.6 | H246 | H246-T272 PolarHBondContact N-O 3.48Å; H246-T272 PolarHBondContact O-N 3.35Å |
| 273 | D | 93.3 | Very high | 93.2 | Very high | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | trans | -126.9 | 117.2 | 169.5 | -166.1 | -41 | 0 | 0 | 0 | 105.6 | P245 D275 A280 L282 N328 | P245-D273 HydrophobicContact CB-CB 4.26Å; D273-D275 PolarHBondContact O-N 3.4Å; D273-D275 WeakPolarHBondContact OD1-CB 3.21Å; D273-D275 PolarHBondContact OD1-N 2.67Å; D273-A280 HydrophobicContact CB-CB 4.19Å; D273-L282 HydrophobicContact CB-CD2 3.83Å; D273-N328 PolarHBondContact OD2-ND2 3.22Å | ||
| 274 | P | 92.5 | Very high | 93.2 | Very high | 64 Ų | 64 | 47 Ų | 47 | 42% | 0.416 | 26% | 0.258 | S | S | . | . | trans | -65.1 | -18.5 | -177.9 | -24.5 | 35.2 | 0 | 0 | 0 | 115.8 | R205 E206 N243 | R205-P274 PolarHBondContact NH2-O 3.1Å; R205-P274 VanDerWaalsContact NH2-O 3.12Å; E206-P274 HydrophobicContact CG-CB 3.77Å; N243-P274 HydrophobicContact CB-CB 4.18Å; N243-P274 HydrophobicContact CB-CG 3.87Å | ||
| 275 | D | 93.4 | Very high | 93.2 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.016 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -71 | -173.3 | -172.9 | -62.2 | -9.5 | 0 | 0 | 0 | 111.3 | N241 D242 N243 D273 N279 A280 | N241-D275 VanDerWaalsContact CA-OD2 3.29Å; N241-D275 WeakPolarHBondContact CA-OD2 3.25Å; N241-D275 PolarHBondContact OD1-OD2 2.96Å; D242-D275 PolarHBondContact N-OD2 2.83Å; N243-D275 VanDerWaalsContact CB-OD1 3.26Å; N243-D275 WeakPolarHBondContact CB-OD1 3.39Å; N243-D275 PolarHBondContact N-OD2 2.79Å; N243-D275 PolarHBondContact ND2-OD1 3.1Å; D273-D275 PolarHBondContact O-N 3.4Å; D273-D275 WeakPolarHBondContact OD1-CB 3.21Å; D273-D275 PolarHBondContact OD1-N 2.67Å; D275-N279 HydrophobicContact CB-CB 3.83Å; D275-N279 VanDerWaalsContact CB-O 3.29Å; D275-N279 WeakPolarHBondContact CB-O 3.5Å; D275-A280 HydrophobicContact CB-CB 4.31Å; D275-A280 VanDerWaalsContact O-CB 3.24Å; D275-A280 WeakPolarHBondContact O-CB 3.08Å |
| 276 | L | 92.1 | Very high | 93.2 | Very high | 93 Ų | 93 | 43.7 Ų | 43.7 | 49% | 0.487 | 24% | 0.244 | S | C | . | . | trans | -123 | 146.9 | -178.7 | -67.3 | 175.4 | 0 | 0 | 0 | 114.6 | R205 D239 E278 N279 | R205-L276 VanDerWaalsContact CZ-CD1 3.43Å; D239-L276 HydrophobicContact CB-CB 4.04Å; D239-L276 WeakPolarHBondContact OD1-CB 3.46Å; D239-L276 PolarHBondContact OD1-N 2.82Å; D239-L276 PolarHBondContact OD2-N 3.17Å; L276-E278 PolarHBondContact O-N 3.42Å; L276-N279 WeakPolarHBondContact O-CB 3.44Å; L276-N279 PolarHBondContact O-N 3.44Å | ||
| 277 | G | 90.2 | Very high | 93.1 | Very high | 63 Ų | 63 | 46.9 Ų | 46.9 | 65% | 0.649 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | 62 | -128.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | N279 A280 | G277-N279 PolarHBondContact O-N 2.82Å; G277-A280 PolarHBondContact O-N 2.87Å; G277-A280 VanDerWaalsContact O-N 3.1Å |
| 278 | E | 89.3 | Confident | 93 | Very high | 128 Ų | 128 | 50 Ų | 50 | 60% | 0.598 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -64.2 | -29.9 | 179.3 | -60 | -69.7 | 130.3 | 0 | 0 | 112.2 | L276 A280 Q281 V330 | L276-E278 PolarHBondContact O-N 3.42Å; E278-A280 PolarHBondContact O-N 3.23Å; E278-Q281 WeakPolarHBondContact O-CB 3.33Å; E278-Q281 PolarHBondContact O-N 2.94Å; E278-Q281 PolarHBondContact OE2-OE1 3.3Å; E278-V330 HydrophobicContact CB-CG2 4.21Å |
| 279 | N | 89.6 | Confident | 92.7 | Very high | 33 Ų | 33 | 48.7 Ų | 48.7 | 18% | 0.176 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -72.7 | -6 | 176.5 | -62.7 | -24 | 0 | 0 | 0 | 112.5 | D239 N241 D275 L276 G277 N328 | D239-N279 PolarHBondContact O-ND2 2.82Å; D239-N279 WeakPolarHBondContact OD2-CB 3.22Å; D239-N279 PolarHBondContact OD2-ND2 2.85Å; N241-N279 HydrophobicContact CB-CB 3.81Å; N241-N279 PolarHBondContact N-ND2 2.89Å; D275-N279 HydrophobicContact CB-CB 3.83Å; D275-N279 VanDerWaalsContact CB-O 3.29Å; D275-N279 WeakPolarHBondContact CB-O 3.5Å; L276-N279 WeakPolarHBondContact O-CB 3.44Å; L276-N279 PolarHBondContact O-N 3.44Å; G277-N279 PolarHBondContact O-N 2.82Å; N279-N328 PolarHBondContact O-ND2 2.72Å |
| 280 | A | 90.8 | Very high | 92.4 | Very high | 25 Ų | 25 | 56 Ų | 56 | 21% | 0.207 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -115.5 | 13.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | D273 D275 G277 E278 L282 | D273-A280 HydrophobicContact CB-CB 4.19Å; D275-A280 HydrophobicContact CB-CB 4.31Å; D275-A280 VanDerWaalsContact O-CB 3.24Å; D275-A280 WeakPolarHBondContact O-CB 3.08Å; G277-A280 PolarHBondContact O-N 2.87Å; G277-A280 VanDerWaalsContact O-N 3.1Å; E278-A280 PolarHBondContact O-N 3.23Å; A280-L282 PolarHBondContact O-N 3.38Å |
| 281 | Q | 90.4 | Very high | 92.3 | Very high | 71 Ų | 71 | 55.8 Ų | 55.8 | 33% | 0.332 | 32% | 0.318 | S | S | . | . | trans | -73 | 129.4 | -178 | -179.9 | 170.4 | -30.3 | 0 | 0 | 110.5 | E278 N328 P329 | E278-Q281 WeakPolarHBondContact O-CB 3.33Å; E278-Q281 PolarHBondContact O-N 2.94Å; E278-Q281 PolarHBondContact OE2-OE1 3.3Å; Q281-N328 WeakPolarHBondContact O-CA 3.05Å; Q281-P329 HydrophobicContact CG-CG 4.4Å; Q281-P329 WeakPolarHBondContact O-CD 3.35Å | ||
| 282 | L | 92.9 | Very high | 92 | Very high | 19 Ų | 19 | 57.7 Ų | 57.7 | 10% | 0.099 | 33% | 0.334 | C | S | . | . | trans | -109.2 | 124.3 | -178.7 | -58.4 | -176 | 0 | 0 | 0 | 111.2 | P245 A271 D273 A280 F284 V326 | P245-L282 HydrophobicContact CB-CD2 3.4Å; P245-L282 HydrophobicContact CG-CD2 4.33Å; A271-L282 HydrophobicContact CB-CD1 3.88Å; D273-L282 HydrophobicContact CB-CD2 3.83Å; A280-L282 PolarHBondContact O-N 3.38Å; L282-F284 HydrophobicContact CB-CE2 3.82Å; L282-F284 HydrophobicContact CB-CZ 3.9Å; L282-F284 HydrophobicContact CD1-CZ 3.96Å; L282-V326 HydrophobicContact CB-CG2 3.96Å; L282-V326 HydrophobicContact CD1-CG2 4.3Å; L282-V326 HydrophobicContact CD2-CG2 3.77Å; L282-V326 HydrophobicContact CG-CG2 4.23Å | ||
| 283 | E | 92.7 | Very high | 92 | Very high | 98 Ų | 98 | 59.3 Ų | 59.3 | 46% | 0.458 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 131.8 | 167.7 | -68.3 | -169 | 171.6 | 0 | 0 | 109.9 | V326 A327 P329 | E283-V326 CarbonylContact O-C 3.57Å; E283-V326 WeakPolarHBondContact O-CA 3.27Å; E283-A327 PolarHBondContact N-O 3.13Å; E283-A327 PolarHBondContact O-N 2.89Å; E283-P329 HydrophobicContact CG-CG 4.2Å |
| 284 | F | 94.4 | Very high | 92 | Very high | 18 Ų | 18 | 60.5 Ų | 60.5 | 8% | 0.079 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 134.8 | -178 | -60.4 | -83.7 | 0 | 0 | 0 | 110.2 | F247 A271 L282 V297 A304 E325 V326 | F247-F284 HydrophobicContact CE1-CD1 4.09Å; F247-F284 AromaticContact CE1-CE1 3.84Å; F247-F284 HydrophobicContact CE1-CE1 3.84Å; F247-F284 HydrophobicContact CZ-CD1 4.08Å; F247-F284 HydrophobicContact CZ-CE1 4.19Å; A271-F284 HydrophobicContact CB-CE1 3.83Å; A271-F284 HydrophobicContact CB-CZ 4.03Å; L282-F284 HydrophobicContact CB-CE2 3.82Å; L282-F284 HydrophobicContact CB-CZ 3.9Å; L282-F284 HydrophobicContact CD1-CZ 3.96Å; F284-V297 HydrophobicContact CB-CG1 4.37Å; F284-V297 HydrophobicContact CB-CG2 3.77Å; F284-V297 WeakPolarHBondContact O-CG1 3.33Å; F284-A304 HydrophobicContact CB-CB 3.97Å; F284-A304 HydrophobicContact CD1-CB 3.45Å; F284-A304 VanDerWaalsContact CD1-CB 3.45Å; F284-A304 HydrophobicContact CD2-CB 3.72Å; F284-A304 HydrophobicContact CE1-CB 3.74Å; F284-A304 HydrophobicContact CE2-CB 4Å; F284-A304 HydrophobicContact CG-CB 3.42Å; F284-A304 VanDerWaalsContact CG-CB 3.42Å; F284-A304 HydrophobicContact CZ-CB 4Å; F284-E325 CarbonylContact C-O 3.56Å; F284-E325 WeakPolarHBondContact CA-O 3.45Å; F284-V326 HydrophobicContact CD1-CB 3.74Å; F284-V326 HydrophobicContact CD1-CG2 3.77Å; F284-V326 HydrophobicContact CE1-CB 3.64Å; F284-V326 HydrophobicContact CE1-CG2 3.38Å; F284-V326 HydrophobicContact CZ-CG2 3.9Å |
| 285 | T | 94.2 | Very high | 92.1 | Very high | 63 Ų | 63 | 57.5 Ų | 57.5 | 39% | 0.387 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 142.2 | 179.1 | 57.5 | 0 | 0 | 0 | 0 | 110.7 | V324 E325 | T285-V324 CarbonylContact O-C 3.54Å; T285-V324 WeakPolarHBondContact O-CA 3.13Å; T285-V324 WeakPolarHBondContact O-CG1 3.41Å; T285-E325 PolarHBondContact N-O 2.81Å; T285-E325 PolarHBondContact O-N 3.49Å |
| 286 | I | 95.9 | Very high | 92.2 | Very high | 22 Ų | 22 | 61.2 Ų | 61.2 | 11% | 0.113 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 123.4 | 168.3 | -65.6 | 163.5 | 0 | 0 | 0 | 106.4 | D288 A292 F295 V297 F322 V324 | I286-D288 WeakPolarHBondContact CG2-O 3.42Å; I286-A292 HydrophobicContact CB-CB 4.26Å; I286-A292 HydrophobicContact CG2-CB 4.19Å; I286-F295 HydrophobicContact CD1-CB 4.06Å; I286-F295 WeakPolarHBondContact CD1-O 3.46Å; I286-V297 HydrophobicContact CD1-CB 4.04Å; I286-V297 HydrophobicContact CD1-CG1 4.21Å; I286-V297 HydrophobicContact CG1-CB 4.07Å; I286-V297 HydrophobicContact CG1-CG1 3.91Å; I286-F322 HydrophobicContact CD1-CE2 4.21Å; I286-F322 HydrophobicContact CG1-CD2 4.31Å; I286-F322 HydrophobicContact CG1-CE2 4.11Å; I286-F322 HydrophobicContact CG2-CD2 3.82Å; I286-F322 HydrophobicContact CG2-CE2 4.37Å; I286-F322 HydrophobicContact CG2-CG 4.38Å; I286-V324 HydrophobicContact CG1-CG2 4.15Å |
| 287 | L | 93.8 | Very high | 92.3 | Very high | 80 Ų | 80 | 57.7 Ų | 57.7 | 42% | 0.419 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -78.5 | -24.6 | -175 | -65.5 | 179.7 | 0 | 0 | 0 | 113.1 | S323 E325 Q344 | L287-S323 PolarHBondContact N-O 2.94Å; L287-E325 HydrophobicContact CD1-CB 4.1Å; L287-E325 HydrophobicContact CD2-CB 3.77Å; L287-E325 HydrophobicContact CG-CB 3.94Å; L287-Q344 HydrophobicContact CD1-CG 4.17Å; L287-Q344 VanDerWaalsContact CD1-NE2 3.32Å |
| 288 | D | 92.7 | Very high | 92.3 | Very high | 70 Ų | 70 | 57.6 Ų | 57.6 | 37% | 0.374 | 32% | 0.316 | S | S | . | . | trans | -89.4 | 119.1 | 178.8 | -151.5 | -34.3 | 0 | 0 | 0 | 110.7 | I286 E290 E291 A292 F322 | I286-D288 WeakPolarHBondContact CG2-O 3.42Å; D288-E290 PolarHBondContact OD1-N 2.85Å; D288-E291 HydrophobicContact CB-CB 4.31Å; D288-E291 WeakPolarHBondContact CB-OE2 3.25Å; D288-A292 VanDerWaalsContact O-CB 3.26Å; D288-A292 WeakPolarHBondContact O-CB 3.37Å; D288-A292 PolarHBondContact O-N 2.83Å; D288-F322 HydrophobicContact CB-CB 4.24Å | ||
| 289 | A | 88.8 | Confident | 92 | Very high | 81 Ų | 81 | 53.7 Ų | 53.7 | 67% | 0.669 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -73.1 | -29.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 290 | E | 90.3 | Very high | 91.4 | Very high | 155 Ų | 155 | 61.3 Ų | 61.3 | 72% | 0.724 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -70.6 | -44.4 | 178.1 | -63.7 | -175.8 | -173.5 | 0 | 0 | 110 | D288 D293 | D288-E290 PolarHBondContact OD1-N 2.85Å; E290-D293 WeakPolarHBondContact O-CB 3.21Å; E290-D293 PolarHBondContact O-N 3.39Å |
| 291 | E | 91.8 | Very high | 90.9 | Very high | 31 Ų | 31 | 64.4 Ų | 64.4 | 15% | 0.145 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -72.4 | -29.1 | 176.1 | -72.7 | 76.1 | -175.7 | 0 | 0 | 112.4 | D288 D293 I294 F295 Y320 F322 | D288-E291 HydrophobicContact CB-CB 4.31Å; D288-E291 WeakPolarHBondContact CB-OE2 3.25Å; E291-D293 PolarHBondContact O-N 2.94Å; E291-I294 CarbonylContact O-C 3.58Å; E291-I294 PolarHBondContact O-N 2.68Å; E291-F295 HydrophobicContact CB-CD2 4.41Å; E291-F295 PolarHBondContact O-N 3.06Å; E291-Y320 HydrophobicContact CG-CD1 4.35Å; E291-F322 HydrophobicContact CB-CB 4.02Å; E291-F322 HydrophobicContact CB-CD1 3.97Å; E291-F322 HydrophobicContact CB-CG 4.07Å; E291-F322 HydrophobicContact CG-CB 3.98Å; E291-F322 HydrophobicContact CG-CD1 3.88Å; E291-F322 HydrophobicContact CG-CG 4.23Å |
| 292 | A | 89.9 | Confident | 90.8 | Very high | 42 Ų | 42 | 68.3 Ų | 68.3 | 35% | 0.347 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64 | -20.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | I286 D288 F295 | I286-A292 HydrophobicContact CB-CB 4.26Å; I286-A292 HydrophobicContact CG2-CB 4.19Å; D288-A292 VanDerWaalsContact O-CB 3.26Å; D288-A292 WeakPolarHBondContact O-CB 3.37Å; D288-A292 PolarHBondContact O-N 2.83Å; A292-F295 CarbonylContact C-O 3.47Å; A292-F295 WeakPolarHBondContact CA-O 3.49Å; A292-F295 VanDerWaalsContact O-O 3.11Å |
| 293 | D | 92.1 | Very high | 90.7 | Very high | 82 Ų | 82 | 70.9 Ų | 70.9 | 44% | 0.439 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -79.6 | -27.9 | 173.1 | -164.7 | 11.6 | 0 | 0 | 0 | 111.6 | E290 E291 N309 K310 | E290-D293 WeakPolarHBondContact O-CB 3.21Å; E290-D293 PolarHBondContact O-N 3.39Å; E291-D293 PolarHBondContact O-N 2.94Å; D293-N309 PolarHBondContact O-ND2 2.86Å; D293-K310 WeakPolarHBondContact O-CE 3.4Å; D293-K310 WeakPolarHBondContact OD1-CE 3.07Å; D293-K310 IonicContact OD1-NZ 2.91Å; D293-K310 PolarHBondContact OD1-NZ 2.73Å; D293-K310 WeakPolarHBondContact OD2-CE 3.42Å; D293-K310 IonicContact OD2-NZ 3.41Å; D293-K310 PolarHBondContact OD2-NZ 2.82Å |
| 294 | I | 93.9 | Very high | 90.8 | Very high | 30 Ų | 30 | 66.2 Ų | 66.2 | 15% | 0.154 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -91.2 | -40.8 | -179.6 | -57.3 | 173.6 | 0 | 0 | 0 | 111.5 | E291 L308 N309 K310 L312 Y320 | E291-I294 CarbonylContact O-C 3.58Å; E291-I294 PolarHBondContact O-N 2.68Å; I294-L308 HydrophobicContact CG2-CD1 4.3Å; I294-N309 WeakPolarHBondContact O-CA 3.08Å; I294-N309 WeakPolarHBondContact O-CB 3.42Å; I294-N309 PolarHBondContact O-N 2.86Å; I294-K310 HydrophobicContact CG1-CD 4.44Å; I294-K310 PolarHBondContact O-N 3.48Å; I294-L312 HydrophobicContact CG2-CD2 3.91Å; I294-Y320 HydrophobicContact CD1-CD1 4.26Å; I294-Y320 HydrophobicContact CD1-CE1 3.52Å |
| 295 | F | 95.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 131.8 | -178.4 | -57.8 | -78.7 | 0 | 0 | 0 | 109.5 | V266 I286 E291 A292 I306 V307 L308 L312 Y320 F322 V349 | V266-F295 HydrophobicContact CG2-CD1 4.26Å; V266-F295 HydrophobicContact CG2-CE1 4.23Å; I286-F295 HydrophobicContact CD1-CB 4.06Å; I286-F295 WeakPolarHBondContact CD1-O 3.46Å; E291-F295 HydrophobicContact CB-CD2 4.41Å; E291-F295 PolarHBondContact O-N 3.06Å; A292-F295 CarbonylContact C-O 3.47Å; A292-F295 WeakPolarHBondContact CA-O 3.49Å; A292-F295 VanDerWaalsContact O-O 3.11Å; F295-I306 HydrophobicContact CB-CG2 4.12Å; F295-I306 HydrophobicContact CD1-CG2 4.16Å; F295-I306 HydrophobicContact CG-CG2 4.46Å; F295-V307 WeakPolarHBondContact CA-O 3.13Å; F295-L308 HydrophobicContact CD1-CD1 4.2Å; F295-L308 HydrophobicContact CE1-CD1 3.9Å; F295-L312 HydrophobicContact CZ-CD2 4.45Å; F295-Y320 HydrophobicContact CE2-CD1 4.02Å; F295-Y320 AromaticContact CE2-CD2 3.81Å; F295-Y320 HydrophobicContact CE2-CD2 3.81Å; F295-Y320 HydrophobicContact CE2-CE2 4.45Å; F295-Y320 AromaticContact CE2-CG 3.56Å; F295-Y320 HydrophobicContact CE2-CG 3.56Å; F295-Y320 AromaticContact CZ-CD2 3.7Å; F295-Y320 HydrophobicContact CZ-CD2 3.7Å; F295-Y320 HydrophobicContact CZ-CE2 4.29Å; F295-Y320 AromaticContact CZ-CG 3.94Å; F295-Y320 HydrophobicContact CZ-CG 3.94Å; F295-F322 HydrophobicContact CB-CZ 4.21Å; F295-F322 HydrophobicContact CD2-CD1 4.3Å; F295-F322 AromaticContact CD2-CE1 3.58Å; F295-F322 HydrophobicContact CD2-CE1 3.58Å; F295-F322 HydrophobicContact CD2-CZ 4.08Å; F295-F322 AromaticContact CE2-CE1 3.91Å; F295-F322 HydrophobicContact CE2-CE1 3.91Å; F295-F322 HydrophobicContact CG-CE1 4.05Å; F295-F322 HydrophobicContact CG-CZ 4.09Å; F295-V349 HydrophobicContact CE1-CB 4.48Å; F295-V349 HydrophobicContact CE1-CG1 4.14Å; F295-V349 HydrophobicContact CE1-CG2 4.29Å; F295-V349 HydrophobicContact CZ-CB 4.23Å; F295-V349 HydrophobicContact CZ-CG1 4.17Å; F295-V349 HydrophobicContact CZ-CG2 4.33Å |
| 296 | N | 94.6 | Very high | 90.9 | Very high | 82 Ų | 82 | 62.9 Ų | 62.9 | 44% | 0.439 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 148 | 171 | -166.4 | 3 | 0 | 0 | 0 | 109.7 | I306 V307 | N296-I306 CarbonylContact O-C 3.53Å; N296-I306 WeakPolarHBondContact O-CA 3.44Å; N296-V307 PolarHBondContact N-O 3.16Å; N296-V307 PolarHBondContact O-N 3.3Å |
| 297 | V | 94.7 | Very high | 90.9 | Very high | 19 Ų | 19 | 63.3 Ų | 63.3 | 12% | 0.115 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 128.8 | 173.2 | 65.3 | 0 | 0 | 0 | 0 | 109.5 | F284 I286 A304 V305 V324 | F284-V297 HydrophobicContact CB-CG1 4.37Å; F284-V297 HydrophobicContact CB-CG2 3.77Å; F284-V297 WeakPolarHBondContact O-CG1 3.33Å; I286-V297 HydrophobicContact CD1-CB 4.04Å; I286-V297 HydrophobicContact CD1-CG1 4.21Å; I286-V297 HydrophobicContact CG1-CB 4.07Å; I286-V297 HydrophobicContact CG1-CG1 3.91Å; V297-A304 HydrophobicContact CG2-CB 3.79Å; V297-V305 WeakPolarHBondContact CA-O 3.39Å; V297-V324 HydrophobicContact CG2-CG1 4.5Å |
| 298 | T | 89.6 | Confident | 91 | Very high | 60 Ų | 60 | 59.6 Ų | 59.6 | 37% | 0.368 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 124.9 | 175.6 | 56.9 | 0 | 0 | 0 | 0 | 109.8 | V305 | T298-V305 PolarHBondContact N-O 3.01Å; T298-V305 PolarHBondContact O-N 3.15Å; T298-V305 PolarHBondContact OG1-O 2.94Å |
| 299 | G | 84 | Confident | 91.1 | Very high | 47 Ų | 47 | 60.1 Ų | 60.1 | 49% | 0.485 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 131.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 300 | R | 76.3 | Confident | 91.4 | Very high | 192 Ų | 192 | 60.3 Ų | 60.3 | 73% | 0.725 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 100.4 | 164.8 | -71.7 | -170.8 | -177.8 | -163.8 | 2.5 | 109.2 | R302 E303 | R300-R302 PolarHBondContact O-N 3Å; R300-E303 PolarHBondContact N-O 3.28Å; R300-E303 PolarHBondContact O-N 3.42Å |
| 301 | A | 79.8 | Confident | 91.5 | Very high | 90 Ų | 90 | 59 Ų | 59 | 74% | 0.744 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | -95.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 302 | R | 87.8 | Confident | 91.7 | Very high | 154 Ų | 154 | 58.2 Ų | 58.2 | 58% | 0.581 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | -2.3 | -177.5 | -66.5 | -178.9 | 174.1 | 179.5 | -5.4 | 114.3 | A271 R300 | A271-R302 PolarHBondContact N-O 3.35Å; A271-R302 VanDerWaalsContact N-O 3.08Å; R300-R302 PolarHBondContact O-N 3Å |
| 303 | E | 92.3 | Very high | 91.8 | Very high | 73 Ų | 73 | 59.5 Ų | 59.5 | 34% | 0.341 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 136.1 | -177.6 | -64.6 | -174.9 | 180 | 0 | 0 | 110.9 | R268 L269 T270 R300 | R268-E303 IonicContact CZ-OE2 3.6Å; R268-E303 IonicContact NH1-OE2 3.54Å; R268-E303 PolarHBondContact NH1-OE2 2.99Å; L269-E303 CarbonylContact O-C 3.57Å; L269-E303 WeakPolarHBondContact O-CA 3.3Å; T270-E303 HydrophobicContact CG2-CG 4.35Å; R300-E303 PolarHBondContact N-O 3.28Å; R300-E303 PolarHBondContact O-N 3.42Å |
| 304 | A | 93.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 121.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | R268 L269 F284 V297 | R268-A304 CarbonylContact C-O 3.56Å; R268-A304 VanDerWaalsContact CA-O 3.32Å; R268-A304 WeakPolarHBondContact CA-O 3.48Å; L269-A304 HydrophobicContact CB-CB 4.02Å; L269-A304 HydrophobicContact CD1-CB 4.31Å; L269-A304 HydrophobicContact CG-CB 4.49Å; L269-A304 PolarHBondContact N-O 3.06Å; L269-A304 PolarHBondContact O-N 2.87Å; F284-A304 HydrophobicContact CB-CB 3.97Å; F284-A304 HydrophobicContact CD1-CB 3.45Å; F284-A304 VanDerWaalsContact CD1-CB 3.45Å; F284-A304 HydrophobicContact CD2-CB 3.72Å; F284-A304 HydrophobicContact CE1-CB 3.74Å; F284-A304 HydrophobicContact CE2-CB 4Å; F284-A304 HydrophobicContact CG-CB 3.42Å; F284-A304 VanDerWaalsContact CG-CB 3.42Å; F284-A304 HydrophobicContact CZ-CB 4Å; V297-A304 HydrophobicContact CG2-CB 3.79Å |
| 305 | V | 95.5 | Very high | 91.8 | Very high | 11 Ų | 11 | 61.7 Ų | 61.7 | 7% | 0.067 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 119.3 | 178.5 | -173.6 | 0 | 0 | 0 | 0 | 108.5 | E265 R268 V297 T298 V307 | E265-V305 HydrophobicContact CB-CG1 4.4Å; E265-V305 HydrophobicContact CG-CG1 3.61Å; R268-V305 HydrophobicContact CG-CG2 4.31Å; V297-V305 WeakPolarHBondContact CA-O 3.39Å; T298-V305 PolarHBondContact N-O 3.01Å; T298-V305 PolarHBondContact O-N 3.15Å; T298-V305 PolarHBondContact OG1-O 2.94Å; V305-V307 HydrophobicContact CG1-CG2 4.04Å |
| 306 | I | 96.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 124.7 | 175.2 | -55.8 | 177.7 | 0 | 0 | 0 | 107.9 | F254 V266 G267 L269 F295 N296 F322 V347 | F254-I306 HydrophobicContact CE2-CD1 4.19Å; V266-I306 HydrophobicContact CB-CB 4.45Å; V266-I306 HydrophobicContact CB-CG2 4.17Å; V266-I306 PolarHBondContact N-O 2.63Å; G267-I306 PolarHBondContact O-N 2.96Å; L269-I306 HydrophobicContact CD1-CD1 4.09Å; L269-I306 HydrophobicContact CD2-CD1 4.41Å; L269-I306 HydrophobicContact CG-CD1 4.16Å; F295-I306 HydrophobicContact CB-CG2 4.12Å; F295-I306 HydrophobicContact CD1-CG2 4.16Å; F295-I306 HydrophobicContact CG-CG2 4.46Å; N296-I306 CarbonylContact O-C 3.53Å; N296-I306 WeakPolarHBondContact O-CA 3.44Å; I306-F322 HydrophobicContact CD1-CE2 4.43Å; I306-F322 HydrophobicContact CD1-CZ 4.4Å; I306-F322 HydrophobicContact CG2-CZ 4.42Å; I306-V347 HydrophobicContact CD1-CB 4.41Å; I306-V347 HydrophobicContact CD1-CG1 3.71Å; I306-V347 HydrophobicContact CD1-CG2 4.08Å |
| 307 | V | 95.7 | Very high | 91.5 | Very high | 30 Ų | 30 | 67.2 Ų | 67.2 | 18% | 0.182 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 138 | -175.8 | -176.9 | 0 | 0 | 0 | 0 | 109.1 | G263 V264 F295 N296 V305 | G263-V307 VanDerWaalsContact C-CG1 3.49Å; G263-V307 WeakPolarHBondContact O-CG1 3.44Å; V264-V307 WeakPolarHBondContact O-CA 3.44Å; F295-V307 WeakPolarHBondContact CA-O 3.13Å; N296-V307 PolarHBondContact N-O 3.16Å; N296-V307 PolarHBondContact O-N 3.3Å; V305-V307 HydrophobicContact CG1-CG2 4.04Å |
| 308 | L | 96.3 | Very high | 91.4 | Very high | 2 Ų | 2 | 70.6 Ų | 70.6 | 1% | 0.01 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 130.1 | 175.8 | -174.4 | 63.5 | 0 | 0 | 0 | 110.6 | A260 P262 G263 V264 V266 I294 F295 K310 L312 | A260-L308 HydrophobicContact CB-CD2 3.87Å; A260-L308 WeakPolarHBondContact O-CD2 3.44Å; P262-L308 CarbonylContact C-O 3.5Å; P262-L308 WeakPolarHBondContact CA-O 3.41Å; G263-L308 PolarHBondContact N-O 3.02Å; V264-L308 PolarHBondContact O-N 3.07Å; V266-L308 HydrophobicContact CG2-CB 4.05Å; I294-L308 HydrophobicContact CG2-CD1 4.3Å; F295-L308 HydrophobicContact CD1-CD1 4.2Å; F295-L308 HydrophobicContact CE1-CD1 3.9Å; L308-K310 WeakPolarHBondContact CD1-O 3.37Å; L308-K310 WeakPolarHBondContact CD2-O 3.33Å; L308-K310 WeakPolarHBondContact CG-O 3.45Å; L308-L312 HydrophobicContact CD1-CD1 3.77Å; L308-L312 HydrophobicContact CD1-CD2 3.84Å; L308-L312 HydrophobicContact CD1-CG 3.76Å; L308-L312 HydrophobicContact CD2-CD1 3.8Å; L308-L312 HydrophobicContact CD2-CG 4.08Å; L308-L312 HydrophobicContact CG-CD1 4.46Å |
| 309 | N | 94.8 | Very high | 91.7 | Very high | 81 Ų | 81 | 69.3 Ų | 69.3 | 43% | 0.433 | 36% | 0.356 | S | S | . | . | trans | -107.2 | -25.4 | 180 | -169.8 | 47.6 | 0 | 0 | 0 | 112.9 | D293 I294 | D293-N309 PolarHBondContact O-ND2 2.86Å; I294-N309 WeakPolarHBondContact O-CA 3.08Å; I294-N309 WeakPolarHBondContact O-CB 3.42Å; I294-N309 PolarHBondContact O-N 2.86Å | ||
| 310 | K | 94.3 | Very high | 92.3 | Very high | 85 Ų | 85 | 68.6 Ų | 68.6 | 37% | 0.37 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -125.1 | 157.8 | 179.7 | -70.3 | -172.9 | 179.1 | -176.1 | 0 | 112 | D293 I294 L308 | D293-K310 WeakPolarHBondContact O-CE 3.4Å; D293-K310 WeakPolarHBondContact OD1-CE 3.07Å; D293-K310 IonicContact OD1-NZ 2.91Å; D293-K310 PolarHBondContact OD1-NZ 2.73Å; D293-K310 WeakPolarHBondContact OD2-CE 3.42Å; D293-K310 IonicContact OD2-NZ 3.41Å; D293-K310 PolarHBondContact OD2-NZ 2.82Å; I294-K310 HydrophobicContact CG1-CD 4.44Å; I294-K310 PolarHBondContact O-N 3.48Å; L308-K310 WeakPolarHBondContact CD1-O 3.37Å; L308-K310 WeakPolarHBondContact CD2-O 3.33Å; L308-K310 WeakPolarHBondContact CG-O 3.45Å |
| 311 | L | 93.4 | Very high | 93.3 | Very high | 129 Ų | 129 | 63 Ų | 63 | 68% | 0.675 | 33% | 0.326 | S | S | * | . | trans | -63.5 | 146.7 | 167.5 | -67.4 | 170.2 | 0 | 0 | 0 | 109.7 | P262 | P262-L311 HydrophobicContact CG-CD2 4.39Å; P262-L311 HydrophobicContact CG-CG 4.41Å | ||
| 312 | L | 94.6 | Very high | 94.1 | Very high | 13 Ų | 13 | 58.9 Ų | 58.9 | 7% | 0.068 | 29% | 0.292 | C | S | . | . | trans | -106.3 | 158.7 | -179.8 | -62.4 | 168.4 | 0 | 0 | 0 | 108.9 | V256 E258 I294 F295 L308 Y320 I351 | V256-L312 HydrophobicContact CG1-CD1 3.57Å; V256-L312 HydrophobicContact CG2-CD1 4.47Å; E258-L312 HydrophobicContact CB-CB 4.28Å; I294-L312 HydrophobicContact CG2-CD2 3.91Å; F295-L312 HydrophobicContact CZ-CD2 4.45Å; L308-L312 HydrophobicContact CD1-CD1 3.77Å; L308-L312 HydrophobicContact CD1-CD2 3.84Å; L308-L312 HydrophobicContact CD1-CG 3.76Å; L308-L312 HydrophobicContact CD2-CD1 3.8Å; L308-L312 HydrophobicContact CD2-CG 4.08Å; L308-L312 HydrophobicContact CG-CD1 4.46Å; L312-Y320 HydrophobicContact CD2-CE2 3.82Å; L312-I351 HydrophobicContact CD1-CD1 3.76Å; L312-I351 HydrophobicContact CD2-CD1 4.31Å | ||
| 313 | D | 92.6 | Very high | 94.5 | Very high | 70 Ų | 70 | 53.5 Ų | 53.5 | 37% | 0.374 | 28% | 0.278 | S | S | . | . | trans | -141 | 107.8 | 178.7 | 173.8 | -20.6 | 0 | 0 | 0 | 106.1 | E315 M316 C317 | D313-E315 WeakPolarHBondContact OD1-CB 3.26Å; D313-E315 PolarHBondContact OD1-N 2.83Å; D313-E315 VanDerWaalsContact OD1-N 3.16Å; D313-M316 HydrophobicContact CB-CB 4.01Å; D313-M316 PolarHBondContact O-N 3.46Å; D313-M316 PolarHBondContact OD1-N 2.9Å; D313-C317 PolarHBondContact O-N 2.76Å | ||
| 314 | Y | 94.3 | Very high | 94.6 | Very high | 81 Ų | 81 | 50 Ų | 50 | 32% | 0.318 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -39.5 | -175.8 | 173.9 | -92.3 | 0 | 0 | 0 | 111.5 | E258 M316 C317 N318 I351 N353 | E258-Y314 WeakPolarHBondContact OE2-CB 3.23Å; E258-Y314 PolarHBondContact OE2-N 2.77Å; Y314-M316 PolarHBondContact O-N 2.73Å; Y314-C317 CarbonylContact O-C 3.59Å; Y314-C317 PolarHBondContact O-N 2.83Å; Y314-N318 HydrophobicContact CD2-CB 3.91Å; Y314-N318 HydrophobicContact CE2-CB 3.58Å; Y314-I351 HydrophobicContact CD2-CB 4.06Å; Y314-I351 HydrophobicContact CD2-CG2 4.05Å; Y314-I351 WeakPolarHBondContact CD2-O 3.39Å; Y314-I351 WeakPolarHBondContact CE2-O 3.44Å; Y314-N353 HydrophobicContact CD1-CB 3.74Å; Y314-N353 VanDerWaalsContact CD1-CG 3.46Å; Y314-N353 WeakPolarHBondContact CD1-OD1 3.36Å; Y314-N353 HydrophobicContact CD2-CB 4.1Å; Y314-N353 HydrophobicContact CE1-CB 3.79Å; Y314-N353 HydrophobicContact CE2-CB 4.15Å; Y314-N353 HydrophobicContact CG-CB 3.9Å |
| 315 | E | 90.9 | Very high | 94.7 | Very high | 76 Ų | 76 | 51.2 Ų | 51.2 | 36% | 0.355 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -32.3 | 177.6 | -74.8 | 57.3 | -129.2 | 0 | 0 | 111.7 | D313 N353 P387 | D313-E315 WeakPolarHBondContact OD1-CB 3.26Å; D313-E315 PolarHBondContact OD1-N 2.83Å; D313-E315 VanDerWaalsContact OD1-N 3.16Å; E315-N353 PolarHBondContact OE1-OD1 2.78Å; E315-P387 VanDerWaalsContact CG-O 3.26Å; E315-P387 WeakPolarHBondContact CG-O 3.41Å |
| 316 | M | 91.3 | Very high | 94.7 | Very high | 162 Ų | 162 | 50.7 Ų | 50.7 | 80% | 0.798 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -47.5 | 174.3 | -172.8 | 174.2 | -179.7 | 0 | 0 | 112.7 | D313 Y314 | D313-M316 HydrophobicContact CB-CB 4.01Å; D313-M316 PolarHBondContact O-N 3.46Å; D313-M316 PolarHBondContact OD1-N 2.9Å; Y314-M316 PolarHBondContact O-N 2.73Å |
| 317 | C | 92.9 | Very high | 94.5 | Very high | 36 Ų | 36 | 51.8 Ų | 51.8 | 24% | 0.243 | 27% | 0.273 | C | S | . | . | trans | -148.4 | 113.8 | -177.2 | -168.8 | 0 | 0 | 0 | 0 | 112.7 | D313 Y314 S319 Y320 I351 | D313-C317 PolarHBondContact O-N 2.76Å; Y314-C317 CarbonylContact O-C 3.59Å; Y314-C317 PolarHBondContact O-N 2.83Å; C317-S319 PolarHBondContact SG-O 3.27Å; C317-S319 VanDerWaalsContact SG-O 3.33Å; C317-Y320 HydrophobicContact CB-CE1 4.47Å; C317-Y320 HydrophobicContact CB-CE2 4.35Å; C317-I351 WeakPolarHBondContact O-CG1 2.94Å | ||
| 318 | N | 94.3 | Very high | 94.2 | Very high | 90 Ų | 90 | 50.5 Ų | 50.5 | 48% | 0.481 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -88.7 | -9.9 | -177.7 | 64.3 | 26.1 | 0 | 0 | 0 | 114.9 | Y314 I351 | Y314-N318 HydrophobicContact CD2-CB 3.91Å; Y314-N318 HydrophobicContact CE2-CB 3.58Å; N318-I351 PolarHBondContact O-N 3.33Å |
| 319 | S | 95.9 | Very high | 93.6 | Very high | 33 Ų | 33 | 53.3 Ų | 53.3 | 23% | 0.231 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 144 | 175 | 59.9 | 0 | 0 | 0 | 0 | 113.6 | C317 V349 | C317-S319 PolarHBondContact SG-O 3.27Å; C317-S319 VanDerWaalsContact SG-O 3.33Å; S319-V349 CarbonylContact C-O 3.6Å; S319-V349 VanDerWaalsContact CA-O 3.22Å; S319-V349 WeakPolarHBondContact CA-O 3.4Å; S319-V349 WeakPolarHBondContact CB-O 3.47Å |
| 320 | Y | 96.1 | Very high | 93.1 | Very high | 33 Ų | 33 | 52 Ų | 52 | 13% | 0.129 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 138.7 | 174.7 | -62.9 | -89.7 | 0 | 0 | 0 | 109.7 | E291 I294 F295 L312 C317 R348 V349 I351 | E291-Y320 HydrophobicContact CG-CD1 4.35Å; I294-Y320 HydrophobicContact CD1-CD1 4.26Å; I294-Y320 HydrophobicContact CD1-CE1 3.52Å; F295-Y320 HydrophobicContact CE2-CD1 4.02Å; F295-Y320 AromaticContact CE2-CD2 3.81Å; F295-Y320 HydrophobicContact CE2-CD2 3.81Å; F295-Y320 HydrophobicContact CE2-CE2 4.45Å; F295-Y320 AromaticContact CE2-CG 3.56Å; F295-Y320 HydrophobicContact CE2-CG 3.56Å; F295-Y320 AromaticContact CZ-CD2 3.7Å; F295-Y320 HydrophobicContact CZ-CD2 3.7Å; F295-Y320 HydrophobicContact CZ-CE2 4.29Å; F295-Y320 AromaticContact CZ-CG 3.94Å; F295-Y320 HydrophobicContact CZ-CG 3.94Å; L312-Y320 HydrophobicContact CD2-CE2 3.82Å; C317-Y320 HydrophobicContact CB-CE1 4.47Å; C317-Y320 HydrophobicContact CB-CE2 4.35Å; Y320-R348 CarbonylContact O-C 3.57Å; Y320-R348 WeakPolarHBondContact O-CA 3.41Å; Y320-V349 PolarHBondContact N-O 2.66Å; Y320-V349 PolarHBondContact O-N 3.06Å; Y320-I351 HydrophobicContact CD2-CD1 3.9Å; Y320-I351 HydrophobicContact CD2-CG1 4.13Å; Y320-I351 HydrophobicContact CE2-CD1 3.93Å; Y320-I351 HydrophobicContact CE2-CG1 3.91Å |
| 321 | T | 96.4 | Very high | 92.4 | Very high | 73 Ų | 73 | 51.5 Ų | 51.5 | 45% | 0.448 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 116.1 | 175.1 | -56 | 0 | 0 | 0 | 0 | 109.1 | T346 V347 | T321-T346 HydrophobicContact CG2-CG2 3.69Å; T321-V347 WeakPolarHBondContact CA-O 3.47Å |
| 322 | F | 96.1 | Very high | 91.6 | Very high | 5 Ų | 5 | 46.7 Ų | 46.7 | 2% | 0.022 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 164.2 | -178.2 | 54.4 | -91.2 | 0 | 0 | 0 | 111.1 | I286 D288 E291 F295 I306 V324 V347 V349 | I286-F322 HydrophobicContact CD1-CE2 4.21Å; I286-F322 HydrophobicContact CG1-CD2 4.31Å; I286-F322 HydrophobicContact CG1-CE2 4.11Å; I286-F322 HydrophobicContact CG2-CD2 3.82Å; I286-F322 HydrophobicContact CG2-CE2 4.37Å; I286-F322 HydrophobicContact CG2-CG 4.38Å; D288-F322 HydrophobicContact CB-CB 4.24Å; E291-F322 HydrophobicContact CB-CB 4.02Å; E291-F322 HydrophobicContact CB-CD1 3.97Å; E291-F322 HydrophobicContact CB-CG 4.07Å; E291-F322 HydrophobicContact CG-CB 3.98Å; E291-F322 HydrophobicContact CG-CD1 3.88Å; E291-F322 HydrophobicContact CG-CG 4.23Å; F295-F322 HydrophobicContact CB-CZ 4.21Å; F295-F322 HydrophobicContact CD2-CD1 4.3Å; F295-F322 AromaticContact CD2-CE1 3.58Å; F295-F322 HydrophobicContact CD2-CE1 3.58Å; F295-F322 HydrophobicContact CD2-CZ 4.08Å; F295-F322 AromaticContact CE2-CE1 3.91Å; F295-F322 HydrophobicContact CE2-CE1 3.91Å; F295-F322 HydrophobicContact CG-CE1 4.05Å; F295-F322 HydrophobicContact CG-CZ 4.09Å; I306-F322 HydrophobicContact CD1-CE2 4.43Å; I306-F322 HydrophobicContact CD1-CZ 4.4Å; I306-F322 HydrophobicContact CG2-CZ 4.42Å; F322-V324 HydrophobicContact CD2-CG2 3.95Å; F322-V324 HydrophobicContact CE2-CG2 3.74Å; F322-V347 HydrophobicContact CD2-CB 4.29Å; F322-V347 HydrophobicContact CE2-CB 3.93Å; F322-V347 HydrophobicContact CE2-CG1 4.24Å; F322-V347 HydrophobicContact CE2-CG2 4.39Å; F322-V347 HydrophobicContact CZ-CB 4.14Å; F322-V347 HydrophobicContact CZ-CG1 4Å; F322-V347 PolarHBondContact N-O 2.92Å; F322-V347 PolarHBondContact O-N 2.81Å; F322-V349 HydrophobicContact CE1-CG2 3.97Å; F322-V349 HydrophobicContact CZ-CG2 4.24Å |
| 323 | S | 96.4 | Very high | 91 | Very high | 41 Ų | 41 | 50.9 Ų | 50.9 | 29% | 0.287 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 133.1 | 177.4 | -66.8 | 0 | 0 | 0 | 0 | 110.9 | L287 A345 | L287-S323 PolarHBondContact N-O 2.94Å; S323-A345 WeakPolarHBondContact CA-O 3.48Å |
| 324 | V | 96.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 127.2 | 170.6 | -176.4 | 0 | 0 | 0 | 0 | 108.2 | F247 L269 T285 I286 V297 F322 Q344 A345 V347 | F247-V324 VanDerWaalsContact CE2-O 3.3Å; F247-V324 WeakPolarHBondContact CE2-O 3.42Å; F247-V324 HydrophobicContact CZ-CB 4.41Å; F247-V324 HydrophobicContact CZ-CG1 4.08Å; L269-V324 HydrophobicContact CD1-CB 3.84Å; L269-V324 HydrophobicContact CD1-CG1 3.78Å; L269-V324 HydrophobicContact CD1-CG2 3.89Å; T285-V324 CarbonylContact O-C 3.54Å; T285-V324 WeakPolarHBondContact O-CA 3.13Å; T285-V324 WeakPolarHBondContact O-CG1 3.41Å; I286-V324 HydrophobicContact CG1-CG2 4.15Å; V297-V324 HydrophobicContact CG2-CG1 4.5Å; F322-V324 HydrophobicContact CD2-CG2 3.95Å; F322-V324 HydrophobicContact CE2-CG2 3.74Å; V324-Q344 WeakPolarHBondContact O-CA 3.5Å; V324-A345 PolarHBondContact N-O 2.83Å; V324-A345 PolarHBondContact O-N 3.45Å; V324-V347 HydrophobicContact CB-CG2 4.42Å; V324-V347 HydrophobicContact CG2-CG2 3.67Å |
| 325 | E | 95.2 | Very high | 89.7 | Confident | 25 Ų | 25 | 53 Ų | 53 | 12% | 0.117 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 133.8 | 173 | -173.6 | 168.7 | 92.7 | 0 | 0 | 109.3 | F284 T285 L287 K342 D343 Q344 | F284-E325 CarbonylContact C-O 3.56Å; F284-E325 WeakPolarHBondContact CA-O 3.45Å; T285-E325 PolarHBondContact N-O 2.81Å; T285-E325 PolarHBondContact O-N 3.49Å; L287-E325 HydrophobicContact CD1-CB 4.1Å; L287-E325 HydrophobicContact CD2-CB 3.77Å; L287-E325 HydrophobicContact CG-CB 3.94Å; E325-K342 HydrophobicContact CG-CB 4.19Å; E325-K342 IonicContact OE1-NZ 2.8Å; E325-K342 WeakPolarHBondContact OE2-CD 3.38Å; E325-K342 WeakPolarHBondContact OE2-CE 3.36Å; E325-K342 IonicContact OE2-NZ 2.75Å; E325-K342 PolarHBondContact OE2-NZ 3.02Å; E325-D343 CarbonylContact C-O 3.47Å; E325-D343 WeakPolarHBondContact CA-O 3.48Å; E325-Q344 HydrophobicContact CB-CG 4.1Å; E325-Q344 HydrophobicContact CG-CG 4.08Å; E325-Q344 PolarHBondContact OE2-NE2 3.25Å |
| 326 | V | 94.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 133.1 | 162 | 63.7 | 0 | 0 | 0 | 0 | 107.5 | P245 F247 A271 L282 E283 F284 K342 D343 | P245-V326 HydrophobicContact CB-CG1 4.24Å; P245-V326 HydrophobicContact CB-CG2 4.2Å; P245-V326 HydrophobicContact CG-CG1 4.45Å; F247-V326 HydrophobicContact CD2-CB 4.47Å; F247-V326 HydrophobicContact CD2-CG1 3.72Å; F247-V326 HydrophobicContact CE1-CB 4.23Å; F247-V326 HydrophobicContact CE1-CG1 4.36Å; F247-V326 HydrophobicContact CE2-CB 3.76Å; F247-V326 HydrophobicContact CE2-CG1 3.43Å; F247-V326 VanDerWaalsContact CE2-CG1 3.43Å; F247-V326 HydrophobicContact CG-CG1 4.32Å; F247-V326 HydrophobicContact CZ-CB 3.61Å; F247-V326 HydrophobicContact CZ-CG1 3.79Å; A271-V326 HydrophobicContact CB-CB 4.35Å; A271-V326 HydrophobicContact CB-CG1 4.18Å; A271-V326 HydrophobicContact CB-CG2 4.01Å; L282-V326 HydrophobicContact CB-CG2 3.96Å; L282-V326 HydrophobicContact CD1-CG2 4.3Å; L282-V326 HydrophobicContact CD2-CG2 3.77Å; L282-V326 HydrophobicContact CG-CG2 4.23Å; E283-V326 CarbonylContact O-C 3.57Å; E283-V326 WeakPolarHBondContact O-CA 3.27Å; F284-V326 HydrophobicContact CD1-CB 3.74Å; F284-V326 HydrophobicContact CD1-CG2 3.77Å; F284-V326 HydrophobicContact CE1-CB 3.64Å; F284-V326 HydrophobicContact CE1-CG2 3.38Å; F284-V326 HydrophobicContact CZ-CG2 3.9Å; V326-K342 CarbonylContact O-C 3.59Å; V326-K342 WeakPolarHBondContact O-CA 3.34Å; V326-K342 WeakPolarHBondContact O-CB 3.42Å; V326-D343 HydrophobicContact CG1-CB 3.9Å; V326-D343 PolarHBondContact N-O 3.03Å; V326-D343 PolarHBondContact O-N 2.75Å |
| 327 | A | 92.3 | Very high | 88.5 | Confident | 22 Ų | 22 | 58.1 Ų | 58.1 | 18% | 0.182 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 150.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | E283 F341 K342 | E283-A327 PolarHBondContact N-O 3.13Å; E283-A327 PolarHBondContact O-N 2.89Å; A327-F341 WeakPolarHBondContact CA-O 3.21Å; A327-K342 HydrophobicContact CB-CB 3.92Å |
| 328 | N | 90.4 | Very high | 87.6 | Confident | 3 Ų | 3 | 60.8 Ų | 60.8 | 2% | 0.016 | 31% | 0.309 | C | S | . | . | trans | -97.8 | 117.8 | 166.8 | -170.8 | -42.1 | 0 | 0 | 0 | 108.4 | N241 P245 D273 N279 Q281 V330 F341 | N241-N328 VanDerWaalsContact ND2-CG 3.27Å; N241-N328 PolarHBondContact ND2-ND2 3.43Å; N241-N328 VanDerWaalsContact ND2-ND2 3.2Å; N241-N328 PolarHBondContact ND2-OD1 2.75Å; P245-N328 HydrophobicContact CG-CB 4.27Å; D273-N328 PolarHBondContact OD2-ND2 3.22Å; N279-N328 PolarHBondContact O-ND2 2.72Å; Q281-N328 WeakPolarHBondContact O-CA 3.05Å; N328-V330 PolarHBondContact O-N 2.83Å; N328-V330 PolarHBondContact OD1-N 2.91Å; N328-V330 PolarHBondContact OD1-O 3.39Å; N328-F341 HydrophobicContact CB-CB 4.46Å; N328-F341 PolarHBondContact N-O 2.97Å | ||
| 329 | P | 83.9 | Confident | 86.2 | Confident | 61 Ų | 61 | 57.1 Ų | 57.1 | 40% | 0.396 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -70.4 | -22.1 | -175.2 | 28.8 | -34.3 | 0 | 0 | 0 | 112.5 | Q281 E283 V331 | Q281-P329 HydrophobicContact CG-CG 4.4Å; Q281-P329 WeakPolarHBondContact O-CD 3.35Å; E283-P329 HydrophobicContact CG-CG 4.2Å; P329-V331 PolarHBondContact O-N 3.26Å |
| 330 | V | 83.9 | Confident | 85 | Confident | 53 Ų | 53 | 59.9 Ų | 59.9 | 32% | 0.321 | 31% | 0.309 | S | S | . | . | trans | -86.2 | 106.8 | 178.5 | -178.4 | 0 | 0 | 0 | 0 | 108.3 | N241 E278 N328 | N241-V330 PolarHBondContact ND2-O 2.67Å; E278-V330 HydrophobicContact CB-CG2 4.21Å; N328-V330 PolarHBondContact O-N 2.83Å; N328-V330 PolarHBondContact OD1-N 2.91Å; N328-V330 PolarHBondContact OD1-O 3.39Å | ||
| 331 | V | 78.3 | Confident | 84.4 | Confident | 76 Ų | 76 | 59 Ų | 59 | 46% | 0.461 | 31% | 0.306 | S | S | . | . | trans | -107.4 | 122.3 | 178.6 | 177.7 | 0 | 0 | 0 | 0 | 110 | P329 P333 I336 F341 | P329-V331 PolarHBondContact O-N 3.26Å; V331-P333 WeakPolarHBondContact O-CD 3.36Å; V331-I336 HydrophobicContact CG1-CG1 4.1Å; V331-F341 HydrophobicContact CB-CD2 4.43Å; V331-F341 HydrophobicContact CG1-CD2 3.76Å; V331-F341 HydrophobicContact CG1-CE2 3.9Å; V331-F341 HydrophobicContact CG2-CB 4.36Å; V331-F341 HydrophobicContact CG2-CD2 4.24Å | ||
| 332 | D | 77.8 | Confident | 84.1 | Confident | 27 Ų | 27 | 60 Ų | 60 | 14% | 0.144 | 30% | 0.304 | C | S | . | . | trans | -88.7 | 116.7 | 168.9 | -169.9 | -32.9 | 0 | 0 | 0 | 110.6 | R334 F335 I336 | D332-R334 PolarHBondContact O-N 2.82Å; D332-R334 VanDerWaalsContact OD1-CB 3.25Å; D332-R334 WeakPolarHBondContact OD1-CB 3.47Å; D332-R334 WeakPolarHBondContact OD1-CG 3.49Å; D332-R334 PolarHBondContact OD1-N 2.85Å; D332-R334 IonicContact OD1-NE 3.57Å; D332-R334 PolarHBondContact OD1-NE 2.81Å; D332-R334 VanDerWaalsContact OD1-NE 3.1Å; D332-R334 IonicContact OD2-CZ 2.55Å; D332-R334 VanDerWaalsContact OD2-CZ 3.28Å; D332-R334 IonicContact OD2-NE 3.06Å; D332-R334 PolarHBondContact OD2-NE 2.84Å; D332-R334 VanDerWaalsContact OD2-NE 3.1Å; D332-R334 IonicContact OD2-NH2 3.15Å; D332-R334 PolarHBondContact OD2-NH2 3.03Å; D332-F335 HydrophobicContact CB-CD2 3.92Å; D332-F335 PolarHBondContact O-N 2.86Å; D332-I336 PolarHBondContact O-N 3.44Å | ||
| 333 | P | 80.6 | Confident | 84 | Confident | 101 Ų | 101 | 62 Ų | 62 | 66% | 0.656 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -25.6 | 179.9 | -25.8 | 35.2 | 0 | 0 | 0 | 115.1 | V331 F335 I336 | V331-P333 WeakPolarHBondContact O-CD 3.36Å; P333-F335 VanDerWaalsContact C-N 3.28Å; P333-F335 PolarHBondContact O-N 2.91Å; P333-I336 HydrophobicContact CB-CD1 4.21Å |
| 334 | R | 80.3 | Confident | 84 | Confident | 171 Ų | 171 | 64.3 Ų | 64.3 | 65% | 0.645 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -28.3 | -179.5 | -62 | 175.7 | -70.6 | 173.3 | 0.4 | 112 | D332 | D332-R334 PolarHBondContact O-N 2.82Å; D332-R334 VanDerWaalsContact OD1-CB 3.25Å; D332-R334 WeakPolarHBondContact OD1-CB 3.47Å; D332-R334 WeakPolarHBondContact OD1-CG 3.49Å; D332-R334 PolarHBondContact OD1-N 2.85Å; D332-R334 IonicContact OD1-NE 3.57Å; D332-R334 PolarHBondContact OD1-NE 2.81Å; D332-R334 VanDerWaalsContact OD1-NE 3.1Å; D332-R334 IonicContact OD2-CZ 2.55Å; D332-R334 VanDerWaalsContact OD2-CZ 3.28Å; D332-R334 IonicContact OD2-NE 3.06Å; D332-R334 PolarHBondContact OD2-NE 2.84Å; D332-R334 VanDerWaalsContact OD2-NE 3.1Å; D332-R334 IonicContact OD2-NH2 3.15Å; D332-R334 PolarHBondContact OD2-NH2 3.03Å |
| 335 | F | 79.6 | Confident | 84 | Confident | 25 Ų | 25 | 64.4 Ų | 64.4 | 11% | 0.11 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | 9.9 | -172.8 | -56.1 | -79.4 | 0 | 0 | 0 | 113.7 | M150 V240 D242 D332 P333 R337 K338 F341 | M150-F335 HydrophobicContact CB-CE1 4.04Å; M150-F335 HydrophobicContact CB-CZ 4.17Å; M150-F335 HydrophobicContact CE-CE1 4.17Å; M150-F335 HydrophobicContact CG-CE1 4.36Å; M150-F335 HydrophobicContact SD-CD1 3.99Å; M150-F335 HydrophobicContact SD-CE1 3.44Å; M150-F335 WeakPolarHBondContact SD-CE1 3.13Å; M150-F335 HydrophobicContact SD-CZ 4.31Å; V240-F335 HydrophobicContact CB-CE2 4.49Å; V240-F335 HydrophobicContact CG1-CD2 3.55Å; V240-F335 HydrophobicContact CG1-CE2 3.09Å; V240-F335 HydrophobicContact CG1-CG 4.49Å; V240-F335 HydrophobicContact CG1-CZ 3.68Å; D242-F335 HydrophobicContact CB-CB 4.41Å; D242-F335 HydrophobicContact CB-CD1 3.96Å; D242-F335 HydrophobicContact CB-CE1 4.45Å; D242-F335 HydrophobicContact CB-CG 4.06Å; D332-F335 HydrophobicContact CB-CD2 3.92Å; D332-F335 PolarHBondContact O-N 2.86Å; P333-F335 VanDerWaalsContact C-N 3.28Å; P333-F335 PolarHBondContact O-N 2.91Å; F335-R337 PolarHBondContact O-N 3.32Å; F335-K338 HydrophobicContact CD1-CD 4.37Å; F335-K338 WeakPolarHBondContact O-CB 3.35Å; F335-K338 PolarHBondContact O-N 2.9Å; F335-F341 HydrophobicContact CB-CZ 3.98Å |
| 336 | I | 78.1 | Confident | 84.1 | Confident | 98 Ų | 98 | 66.1 Ų | 66.1 | 50% | 0.503 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -28.3 | 173.8 | -69.6 | 173.1 | 0 | 0 | 0 | 113.1 | V331 D332 P333 K338 F341 | V331-I336 HydrophobicContact CG1-CG1 4.1Å; D332-I336 PolarHBondContact O-N 3.44Å; P333-I336 HydrophobicContact CB-CD1 4.21Å; I336-K338 VanDerWaalsContact C-N 3.35Å; I336-F341 HydrophobicContact CG1-CE2 4.45Å |
| 337 | R | 78.8 | Confident | 84.2 | Confident | 248 Ų | 248 | 66.1 Ų | 66.1 | 94% | 0.936 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -20.5 | 177.9 | -66.1 | -174.2 | -175.9 | -86.9 | -0.4 | 113.8 | F335 G339 | F335-R337 PolarHBondContact O-N 3.32Å; R337-G339 VanDerWaalsContact C-N 3.3Å |
| 338 | K | 74.9 | Confident | 84.5 | Confident | 91 Ų | 91 | 71 Ų | 71 | 40% | 0.396 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -23.2 | 178.6 | -79.6 | -159.2 | 170.7 | -169 | 0 | 112.6 | M150 D242 F335 I336 | M150-K338 VanDerWaalsContact SD-CE 3.58Å; M150-K338 PolarHBondContact SD-NZ 3.4Å; D242-K338 HydrophobicContact CB-CD 4Å; D242-K338 WeakPolarHBondContact O-CD 3.23Å; D242-K338 IonicContact OD2-NZ 3.7Å; D242-K338 PolarHBondContact OD2-NZ 3.39Å; F335-K338 HydrophobicContact CD1-CD 4.37Å; F335-K338 WeakPolarHBondContact O-CB 3.35Å; F335-K338 PolarHBondContact O-N 2.9Å; I336-K338 VanDerWaalsContact C-N 3.35Å |
| 339 | G | 64.6 | Low | 84.8 | Confident | 13 Ų | 13 | 70.9 Ų | 70.9 | 13% | 0.134 | 35% | 0.348 | C | S | . | . | trans | 172.4 | 168.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | R337 F341 | R337-G339 VanDerWaalsContact C-N 3.3Å; G339-F341 PolarHBondContact O-N 3.45Å | ||
| 340 | P | 70.8 | Confident | 85.4 | Confident | 92 Ų | 92 | 71.7 Ų | 71.7 | 60% | 0.597 | 35% | 0.347 | S | S | * | . | trans | -59.2 | 124.2 | 153.2 | 30 | -30.8 | 0 | 0 | 0 | 106.5 | P244 K342 | P244-P340 WeakPolarHBondContact CB-O 3.38Å; P340-K342 HydrophobicContact CB-CG 3.8Å; P340-K342 PolarHBondContact O-N 2.93Å | ||
| 341 | F | 84 | Confident | 86 | Confident | 14 Ų | 14 | 69.5 Ų | 69.5 | 6% | 0.061 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -71 | 43.6 | 173.2 | -67.7 | -81.8 | 0 | 0 | 0 | 111.3 | N241 A327 N328 V331 F335 I336 G339 | N241-F341 HydrophobicContact CB-CE1 4.36Å; N241-F341 WeakPolarHBondContact O-CE1 3.47Å; N241-F341 WeakPolarHBondContact O-CZ 3.11Å; N241-F341 VanDerWaalsContact OD1-CD1 3.27Å; N241-F341 WeakPolarHBondContact OD1-CD1 3.35Å; N241-F341 WeakPolarHBondContact OD1-CE1 3.36Å; A327-F341 WeakPolarHBondContact CA-O 3.21Å; N328-F341 HydrophobicContact CB-CB 4.46Å; N328-F341 PolarHBondContact N-O 2.97Å; V331-F341 HydrophobicContact CB-CD2 4.43Å; V331-F341 HydrophobicContact CG1-CD2 3.76Å; V331-F341 HydrophobicContact CG1-CE2 3.9Å; V331-F341 HydrophobicContact CG2-CB 4.36Å; V331-F341 HydrophobicContact CG2-CD2 4.24Å; F335-F341 HydrophobicContact CB-CZ 3.98Å; I336-F341 HydrophobicContact CG1-CE2 4.45Å; G339-F341 PolarHBondContact O-N 3.45Å |
| 342 | K | 89.8 | Confident | 86.9 | Confident | 93 Ų | 93 | 70 Ų | 70 | 40% | 0.404 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 148.2 | -175.8 | 61.3 | -175.7 | -151.8 | 146.6 | 0 | 110.8 | E325 V326 A327 P340 | E325-K342 HydrophobicContact CG-CB 4.19Å; E325-K342 IonicContact OE1-NZ 2.8Å; E325-K342 WeakPolarHBondContact OE2-CD 3.38Å; E325-K342 WeakPolarHBondContact OE2-CE 3.36Å; E325-K342 IonicContact OE2-NZ 2.75Å; E325-K342 PolarHBondContact OE2-NZ 3.02Å; V326-K342 CarbonylContact O-C 3.59Å; V326-K342 WeakPolarHBondContact O-CA 3.34Å; V326-K342 WeakPolarHBondContact O-CB 3.42Å; A327-K342 HydrophobicContact CB-CB 3.92Å; P340-K342 HydrophobicContact CB-CG 3.8Å; P340-K342 PolarHBondContact O-N 2.93Å |
| 343 | D | 93.9 | Very high | 87.6 | Confident | 48 Ų | 48 | 72 Ų | 72 | 26% | 0.257 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 159.1 | 176.3 | -175.3 | 28.7 | 0 | 0 | 0 | 110 | P245 H246 F247 E325 V326 | P245-D343 WeakPolarHBondContact O-CB 3.34Å; H246-D343 WeakPolarHBondContact CA-OD2 3.21Å; H246-D343 IonicContact ND1-OD2 3.07Å; F247-D343 HydrophobicContact CD2-CB 4.38Å; F247-D343 WeakPolarHBondContact CE2-O 3.48Å; F247-D343 PolarHBondContact N-OD2 3.41Å; E325-D343 CarbonylContact C-O 3.47Å; E325-D343 WeakPolarHBondContact CA-O 3.48Å; V326-D343 HydrophobicContact CG1-CB 3.9Å; V326-D343 PolarHBondContact N-O 3.03Å; V326-D343 PolarHBondContact O-N 2.75Å |
| 344 | Q | 95.4 | Very high | 88.2 | Confident | 90 Ų | 90 | 68.2 Ų | 68.2 | 42% | 0.421 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 137 | -175.2 | -64.8 | -178.9 | 1.4 | 0 | 0 | 111 | L287 V324 E325 | L287-Q344 HydrophobicContact CD1-CG 4.17Å; L287-Q344 VanDerWaalsContact CD1-NE2 3.32Å; V324-Q344 WeakPolarHBondContact O-CA 3.5Å; E325-Q344 HydrophobicContact CB-CG 4.1Å; E325-Q344 HydrophobicContact CG-CG 4.08Å; E325-Q344 PolarHBondContact OE2-NE2 3.25Å |
| 345 | A | 96.3 | Very high | 88.6 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.008 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 140.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | F247 S250 S323 V324 | F247-A345 HydrophobicContact CB-CB 4.09Å; F247-A345 HydrophobicContact CD1-CB 4.18Å; F247-A345 HydrophobicContact CD2-CB 3.52Å; F247-A345 HydrophobicContact CE2-CB 3.87Å; F247-A345 HydrophobicContact CG-CB 3.67Å; F247-A345 HydrophobicContact CZ-CB 4.36Å; S250-A345 WeakPolarHBondContact O-CA 3.47Å; S323-A345 WeakPolarHBondContact CA-O 3.48Å; V324-A345 PolarHBondContact N-O 2.83Å; V324-A345 PolarHBondContact O-N 3.45Å |
| 346 | T | 97.4 | Very high | 89.1 | Confident | 62 Ų | 62 | 64.4 Ų | 64.4 | 38% | 0.38 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 127.8 | 174 | -53.8 | 0 | 0 | 0 | 0 | 109.8 | S250 A251 W252 T321 | S250-T346 PolarHBondContact O-N 2.99Å; A251-T346 CarbonylContact C-O 3.56Å; A251-T346 VanDerWaalsContact CA-O 3.26Å; A251-T346 WeakPolarHBondContact CA-O 3.39Å; W252-T346 PolarHBondContact N-O 2.86Å; T321-T346 HydrophobicContact CG2-CG2 3.69Å |
| 347 | V | 97.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 127 | 176.2 | -177.3 | 0 | 0 | 0 | 0 | 109 | W252 F254 L269 I306 T321 F322 V324 V349 | W252-V347 HydrophobicContact CB-CG2 4.41Å; F254-V347 HydrophobicContact CD2-CG1 3.84Å; F254-V347 HydrophobicContact CE2-CG1 3.99Å; L269-V347 HydrophobicContact CD1-CG2 3.96Å; L269-V347 HydrophobicContact CD2-CG2 3.84Å; I306-V347 HydrophobicContact CD1-CB 4.41Å; I306-V347 HydrophobicContact CD1-CG1 3.71Å; I306-V347 HydrophobicContact CD1-CG2 4.08Å; T321-V347 WeakPolarHBondContact CA-O 3.47Å; F322-V347 HydrophobicContact CD2-CB 4.29Å; F322-V347 HydrophobicContact CE2-CB 3.93Å; F322-V347 HydrophobicContact CE2-CG1 4.24Å; F322-V347 HydrophobicContact CE2-CG2 4.39Å; F322-V347 HydrophobicContact CZ-CB 4.14Å; F322-V347 HydrophobicContact CZ-CG1 4Å; F322-V347 PolarHBondContact N-O 2.92Å; F322-V347 PolarHBondContact O-N 2.81Å; V324-V347 HydrophobicContact CB-CG2 4.42Å; V324-V347 HydrophobicContact CG2-CG2 3.67Å; V347-V349 HydrophobicContact CG1-CG2 4.09Å |
| 348 | R | 97.4 | Very high | 90.6 | Very high | 125 Ų | 125 | 50.6 Ų | 50.6 | 47% | 0.472 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 114.9 | 173.1 | -172.3 | 177.1 | -174.6 | -163.2 | -0.5 | 110.4 | W252 S253 F254 Y320 | W252-R348 PolarHBondContact O-N 2.99Å; S253-R348 CarbonylContact C-O 3.55Å; S253-R348 VanDerWaalsContact CA-O 3.23Å; S253-R348 WeakPolarHBondContact CA-O 3.47Å; F254-R348 PolarHBondContact N-O 2.85Å; Y320-R348 CarbonylContact O-C 3.57Å; Y320-R348 WeakPolarHBondContact O-CA 3.41Å |
| 349 | V | 97.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 119.8 | 175.5 | -174.1 | 0 | 0 | 0 | 0 | 108.5 | V256 V266 F295 S319 Y320 F322 V347 I351 | V256-V349 HydrophobicContact CG1-CG1 3.68Å; V266-V349 HydrophobicContact CG1-CG1 3.67Å; V266-V349 HydrophobicContact CG1-CG2 3.98Å; F295-V349 HydrophobicContact CE1-CB 4.48Å; F295-V349 HydrophobicContact CE1-CG1 4.14Å; F295-V349 HydrophobicContact CE1-CG2 4.29Å; F295-V349 HydrophobicContact CZ-CB 4.23Å; F295-V349 HydrophobicContact CZ-CG1 4.17Å; F295-V349 HydrophobicContact CZ-CG2 4.33Å; S319-V349 CarbonylContact C-O 3.6Å; S319-V349 VanDerWaalsContact CA-O 3.22Å; S319-V349 WeakPolarHBondContact CA-O 3.4Å; S319-V349 WeakPolarHBondContact CB-O 3.47Å; Y320-V349 PolarHBondContact N-O 2.66Å; Y320-V349 PolarHBondContact O-N 3.06Å; F322-V349 HydrophobicContact CE1-CG2 3.97Å; F322-V349 HydrophobicContact CZ-CG2 4.24Å; V347-V349 HydrophobicContact CG1-CG2 4.09Å; V349-I351 HydrophobicContact CG1-CD1 4.12Å |
| 350 | M | 96.9 | Very high | 93 | Very high | 77 Ų | 77 | 54.4 Ų | 54.4 | 38% | 0.379 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 128.4 | 174.1 | -62.9 | -174.7 | -67.4 | 0 | 0 | 109.4 | F254 S255 V256 | F254-M350 PolarHBondContact O-N 2.97Å; S255-M350 CarbonylContact C-O 3.43Å; S255-M350 WeakPolarHBondContact CA-O 3.29Å; V256-M350 PolarHBondContact N-O 3.25Å |
| 351 | I | 96.9 | Very high | 94.1 | Very high | 7 Ų | 7 | 53.3 Ų | 53.3 | 4% | 0.036 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 129.4 | 174.9 | -50.8 | -42.5 | 0 | 0 | 0 | 108.2 | V256 E258 L312 Y314 C317 N318 Y320 V349 | V256-I351 HydrophobicContact CG1-CD1 3.66Å; V256-I351 CarbonylContact O-C 3.46Å; V256-I351 WeakPolarHBondContact O-CA 3.29Å; E258-I351 HydrophobicContact CB-CG2 3.88Å; L312-I351 HydrophobicContact CD1-CD1 3.76Å; L312-I351 HydrophobicContact CD2-CD1 4.31Å; Y314-I351 HydrophobicContact CD2-CB 4.06Å; Y314-I351 HydrophobicContact CD2-CG2 4.05Å; Y314-I351 WeakPolarHBondContact CD2-O 3.39Å; Y314-I351 WeakPolarHBondContact CE2-O 3.44Å; C317-I351 WeakPolarHBondContact O-CG1 2.94Å; N318-I351 PolarHBondContact O-N 3.33Å; Y320-I351 HydrophobicContact CD2-CD1 3.9Å; Y320-I351 HydrophobicContact CD2-CG1 4.13Å; Y320-I351 HydrophobicContact CE2-CD1 3.93Å; Y320-I351 HydrophobicContact CE2-CG1 3.91Å; V349-I351 HydrophobicContact CG1-CD1 4.12Å |
| 352 | L | 95.9 | Very high | 94.6 | Very high | 86 Ų | 86 | 57.7 Ų | 57.7 | 45% | 0.45 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 119.8 | 176.4 | -57.5 | 176.6 | 0 | 0 | 0 | 108.9 | V256 E258 | V256-L352 PolarHBondContact O-N 3.13Å; E258-L352 PolarHBondContact N-O 2.75Å |
| 353 | N | 93.7 | Very high | 94.7 | Very high | 71 Ų | 71 | 57.3 Ų | 57.3 | 38% | 0.38 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 140.9 | 175.1 | -157.9 | 46.7 | 0 | 0 | 0 | 111.1 | E258 Y314 E315 D388 | E258-N353 VanDerWaalsContact OE1-CA 3.32Å; E258-N353 WeakPolarHBondContact OE1-CA 3.32Å; E258-N353 PolarHBondContact OE1-OD1 2.84Å; Y314-N353 HydrophobicContact CD1-CB 3.74Å; Y314-N353 VanDerWaalsContact CD1-CG 3.46Å; Y314-N353 WeakPolarHBondContact CD1-OD1 3.36Å; Y314-N353 HydrophobicContact CD2-CB 4.1Å; Y314-N353 HydrophobicContact CE1-CB 3.79Å; Y314-N353 HydrophobicContact CE2-CB 4.15Å; Y314-N353 HydrophobicContact CG-CB 3.9Å; E315-N353 PolarHBondContact OE1-OD1 2.78Å; N353-D388 PolarHBondContact ND2-OD1 2.74Å |
| 354 | A | 91.9 | Very high | 94.8 | Very high | 20 Ų | 20 | 58 Ų | 58 | 17% | 0.165 | 31% | 0.305 | C | S | . | . | trans | -144 | 134.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | E258 L259 E356 | E258-A354 HydrophobicContact CG-CB 4.41Å; E258-A354 PolarHBondContact OE1-N 3.18Å; L259-A354 HydrophobicContact CD1-CB 3.55Å; L259-A354 HydrophobicContact CG-CB 3.77Å; A354-E356 WeakPolarHBondContact O-CG 3.37Å; A354-E356 PolarHBondContact O-N 2.84Å | ||
| 355 | D | 89.9 | Confident | 94.9 | Very high | 66 Ų | 66 | 54.1 Ų | 54.1 | 35% | 0.353 | 29% | 0.287 | S | S | . | . | trans | -53.5 | 118.3 | -176.2 | -168.5 | 25.9 | 0 | 0 | 0 | 112.4 | Q440 N443 L446 | D355-Q440 PolarHBondContact OD1-NE2 3.43Å; D355-Q440 PolarHBondContact OD1-OE1 3.27Å; D355-Q440 PolarHBondContact OD2-OE1 3.05Å; D355-N443 PolarHBondContact OD2-ND2 3.36Å; D355-L446 HydrophobicContact CB-CD1 3.94Å; D355-L446 WeakPolarHBondContact O-CD1 3.14Å; D355-L446 WeakPolarHBondContact OD2-CD1 3.48Å | ||
| 356 | E | 90.3 | Very high | 94.9 | Very high | 50 Ų | 50 | 60.7 Ų | 60.7 | 23% | 0.234 | 32% | 0.317 | C | S | . | . | trans | -105 | 152.3 | -174.8 | -70.1 | -155.6 | 114 | 0 | 0 | 112.7 | A354 P387 D388 Q440 | A354-E356 WeakPolarHBondContact O-CG 3.37Å; A354-E356 PolarHBondContact O-N 2.84Å; E356-P387 HydrophobicContact CB-CB 4.09Å; E356-P387 HydrophobicContact CB-CG 3.95Å; E356-P387 WeakPolarHBondContact OE2-CB 3.09Å; E356-D388 PolarHBondContact N-OD2 2.85Å; E356-Q440 PolarHBondContact O-NE2 2.86Å | ||
| 357 | P | 92.5 | Very high | 94.8 | Very high | 54 Ų | 54 | 59 Ų | 59 | 35% | 0.351 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 148.5 | 174.2 | 28.8 | -34.4 | 0 | 0 | 0 | 112.4 | R359 P387 L446 | P357-R359 PolarHBondContact O-N 2.85Å; P357-P387 WeakPolarHBondContact O-CD 3.47Å; P357-P387 WeakPolarHBondContact O-CG 3.22Å; P357-L446 HydrophobicContact CB-CB 4.32Å |
| 358 | P | 94.4 | Very high | 94.7 | Very high | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.013 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -53 | 135.7 | 178.2 | -26.7 | 34.7 | 0 | 0 | 0 | 111.9 | A384 V385 I395 A438 Q440 S448 | P358-A384 HydrophobicContact CB-CB 4.34Å; P358-V385 CarbonylContact C-O 3.59Å; P358-I395 HydrophobicContact CB-CD1 4.05Å; P358-I395 HydrophobicContact CB-CG1 4.22Å; P358-I395 HydrophobicContact CB-CG2 4.43Å; P358-I395 HydrophobicContact CG-CG1 4.32Å; P358-A438 HydrophobicContact CB-CB 4.03Å; P358-A438 HydrophobicContact CG-CB 4.47Å; P358-Q440 HydrophobicContact CG-CG 3.78Å; P358-S448 WeakPolarHBondContact O-CB 2.8Å; P358-S448 PolarHBondContact O-OG 3.18Å |
| 359 | R | 94.2 | Very high | 94.5 | Very high | 167 Ų | 167 | 58 Ų | 58 | 63% | 0.63 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 118.5 | 180 | -178.1 | 171.4 | 174 | -98.2 | -0.7 | 111.3 | P357 A384 V385 P387 | P357-R359 PolarHBondContact O-N 2.85Å; R359-A384 CarbonylContact O-C 3.6Å; R359-A384 WeakPolarHBondContact O-CA 3.13Å; R359-V385 PolarHBondContact N-O 3.17Å; R359-V385 PolarHBondContact O-N 3.4Å; R359-P387 HydrophobicContact CB-CG 3.97Å |
| 360 | F | 95.9 | Very high | 94.3 | Very high | 18 Ų | 18 | 59.7 Ų | 59.7 | 8% | 0.079 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 146.8 | 171.1 | -75.4 | -84.6 | 0 | 0 | 0 | 111.4 | Q362 Y365 V382 H383 A384 Y397 V436 A438 S448 A450 | F360-Q362 WeakPolarHBondContact CB-O 3.49Å; F360-Q362 PolarHBondContact O-N 2.86Å; F360-Y365 HydrophobicContact CB-CE2 4.41Å; F360-Y365 HydrophobicContact CD1-CE2 4.08Å; F360-V382 HydrophobicContact CD1-CB 4.43Å; F360-V382 HydrophobicContact CE1-CB 4.19Å; F360-V382 HydrophobicContact CE1-CG2 4.09Å; F360-H383 CarbonylContact C-O 3.5Å; F360-H383 WeakPolarHBondContact CA-O 3.44Å; F360-A384 HydrophobicContact CD1-CB 3.92Å; F360-A384 HydrophobicContact CE1-CB 4.19Å; F360-A384 HydrophobicContact CG-CB 4.13Å; F360-Y397 HydrophobicContact CE1-CD1 4.18Å; F360-Y397 HydrophobicContact CE1-CE1 4.01Å; F360-Y397 HydrophobicContact CZ-CD1 4.48Å; F360-V436 HydrophobicContact CE1-CG1 4.32Å; F360-V436 HydrophobicContact CZ-CB 4.46Å; F360-V436 HydrophobicContact CZ-CG1 4.12Å; F360-A438 HydrophobicContact CE1-CB 4.19Å; F360-A438 HydrophobicContact CE2-CB 3.6Å; F360-A438 HydrophobicContact CZ-CB 3.41Å; F360-A438 VanDerWaalsContact CZ-CB 3.41Å; F360-S448 WeakPolarHBondContact CD2-OG 2.92Å; F360-S448 VanDerWaalsContact CE2-OG 3.29Å; F360-S448 WeakPolarHBondContact CE2-OG 3.33Å; F360-A450 HydrophobicContact CB-CB 4.11Å; F360-A450 HydrophobicContact CD1-CB 3.8Å; F360-A450 HydrophobicContact CD2-CB 3.66Å; F360-A450 HydrophobicContact CE1-CB 4.06Å; F360-A450 HydrophobicContact CE2-CB 3.92Å; F360-A450 HydrophobicContact CG-CB 3.59Å; F360-A450 HydrophobicContact CZ-CB 4.11Å |
| 361 | S | 94.2 | Very high | 94 | Very high | 69 Ų | 69 | 56.5 Ų | 56.5 | 48% | 0.483 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -67.7 | -23.4 | 177.2 | 67.6 | 0 | 0 | 0 | 0 | 112.7 | Y365 H383 | S361-Y365 PolarHBondContact N-OH 2.9Å; S361-Y365 PolarHBondContact OG-OH 3.03Å; S361-H383 PolarHBondContact N-O 2.55Å; S361-H383 PolarHBondContact OG-O 3.46Å |
| 362 | Q | 94.7 | Very high | 93.6 | Very high | 106 Ų | 106 | 61 Ų | 61 | 50% | 0.495 | 33% | 0.33 | S | S | . | . | trans | -140 | 143.8 | 177.6 | -60.6 | 178.2 | -63.1 | 0 | 0 | 109.8 | F360 V364 Y365 | F360-Q362 WeakPolarHBondContact CB-O 3.49Å; F360-Q362 PolarHBondContact O-N 2.86Å; Q362-V364 VanDerWaalsContact C-N 3.33Å; Q362-Y365 HydrophobicContact CB-CD1 4.42Å; Q362-Y365 HydrophobicContact CB-CD2 4.26Å; Q362-Y365 HydrophobicContact CB-CE1 4.1Å; Q362-Y365 HydrophobicContact CB-CE2 3.94Å; Q362-Y365 HydrophobicContact CB-CG 4.48Å; Q362-Y365 HydrophobicContact CG-CE1 4.26Å; Q362-Y365 PolarHBondContact N-OH 3.15Å; Q362-Y365 VanDerWaalsContact O-CE2 3.28Å; Q362-Y365 WeakPolarHBondContact O-CE2 3.42Å | ||
| 363 | A | 91.4 | Very high | 93.1 | Very high | 84 Ų | 84 | 58.1 Ų | 58.1 | 69% | 0.694 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -72 | -32.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | V451 | A363-V451 PolarHBondContact O-N 3Š|
| 364 | V | 96.2 | Very high | 92.7 | Very high | 64 Ų | 64 | 58.9 Ų | 58.9 | 39% | 0.388 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 129.3 | 176.9 | -173.4 | 0 | 0 | 0 | 0 | 108.9 | Q362 V451 | Q362-V364 VanDerWaalsContact C-N 3.33Å; V364-V451 CarbonylContact C-O 3.56Å; V364-V451 VanDerWaalsContact CA-O 3.3Å; V364-V451 WeakPolarHBondContact CA-O 3.26Å; V364-V451 HydrophobicContact CG1-CB 4.44Å; V364-V451 HydrophobicContact CG1-CG1 4.49Å; V364-V451 HydrophobicContact CG2-CB 4.39Å |
| 365 | Y | 96.9 | Very high | 92.1 | Very high | 7 Ų | 7 | 61 Ų | 61 | 3% | 0.027 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 129.4 | 171.3 | -67.2 | -98.9 | 0 | 0 | 0 | 108.7 | F360 S361 Q362 V382 H383 A450 V451 V452 A453 | F360-Y365 HydrophobicContact CB-CE2 4.41Å; F360-Y365 HydrophobicContact CD1-CE2 4.08Å; S361-Y365 PolarHBondContact N-OH 2.9Å; S361-Y365 PolarHBondContact OG-OH 3.03Å; Q362-Y365 HydrophobicContact CB-CD1 4.42Å; Q362-Y365 HydrophobicContact CB-CD2 4.26Å; Q362-Y365 HydrophobicContact CB-CE1 4.1Å; Q362-Y365 HydrophobicContact CB-CE2 3.94Å; Q362-Y365 HydrophobicContact CB-CG 4.48Å; Q362-Y365 HydrophobicContact CG-CE1 4.26Å; Q362-Y365 PolarHBondContact N-OH 3.15Å; Q362-Y365 VanDerWaalsContact O-CE2 3.28Å; Q362-Y365 WeakPolarHBondContact O-CE2 3.42Å; Y365-V382 HydrophobicContact CD1-CG1 4.05Å; Y365-V382 HydrophobicContact CD2-CB 4.41Å; Y365-V382 HydrophobicContact CD2-CG1 3.73Å; Y365-V382 HydrophobicContact CE1-CB 4.26Å; Y365-V382 HydrophobicContact CE1-CG1 4.23Å; Y365-V382 HydrophobicContact CE2-CB 4.08Å; Y365-V382 HydrophobicContact CE2-CG1 3.91Å; Y365-V382 HydrophobicContact CG-CG1 3.81Å; Y365-H383 PolarHBondContact OH-N 2.92Å; Y365-H383 PolarHBondContact OH-O 2.92Å; Y365-A450 HydrophobicContact CD2-CB 4.21Å; Y365-A450 HydrophobicContact CE2-CB 3.98Å; Y365-V451 PolarHBondContact N-O 3.1Å; Y365-V452 HydrophobicContact CD2-CG2 4.38Å; Y365-V452 CarbonylContact O-C 3.54Å; Y365-V452 WeakPolarHBondContact O-CA 3.44Å; Y365-A453 PolarHBondContact O-N 2.93Å |
| 366 | H | 96.6 | Very high | 91.8 | Very high | 140 Ų | 140 | 64.4 Ų | 64.4 | 65% | 0.648 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 116.4 | 169.6 | -68.3 | -77.5 | 0 | 0 | 0 | 107.9 | A453 | H366-A453 WeakPolarHBondContact CA-O 3.31Å |
| 367 | L | 95.9 | Very high | 91.7 | Very high | 27 Ų | 27 | 62.7 Ų | 62.7 | 14% | 0.141 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 157 | 178.1 | -56.3 | 179 | 0 | 0 | 0 | 108.7 | V379 I418 V452 A453 I454 E455 | L367-V379 HydrophobicContact CB-CG1 3.88Å; L367-V379 HydrophobicContact CD1-CG1 4.08Å; L367-I418 HydrophobicContact CD1-CD1 4.2Å; L367-V452 HydrophobicContact CD1-CG1 3.51Å; L367-V452 HydrophobicContact CG-CG1 3.98Å; L367-A453 PolarHBondContact N-O 2.87Å; L367-I454 HydrophobicContact CB-CG1 4.41Å; L367-I454 CarbonylContact O-C 3.53Å; L367-I454 VanDerWaalsContact O-CA 3.27Å; L367-I454 WeakPolarHBondContact O-CA 3.43Å; L367-E455 PolarHBondContact O-N 2.91Å |
| 368 | D | 94.6 | Very high | 91.6 | Very high | 97 Ų | 97 | 64 Ų | 64 | 52% | 0.519 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 145.5 | -179.9 | 58.1 | -40.8 | 0 | 0 | 0 | 110.2 | E455 L457 | D368-E455 WeakPolarHBondContact CA-O 3.45Å; D368-L457 HydrophobicContact CB-CD1 4.11Å; D368-L457 HydrophobicContact CB-CD2 4.18Å; D368-L457 HydrophobicContact CB-CG 4.09Å |
| 369 | V | 94.6 | Very high | 91.6 | Very high | 5 Ų | 5 | 64.6 Ų | 64.6 | 3% | 0.03 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 136 | 177.6 | 63.4 | 0 | 0 | 0 | 0 | 108.7 | C373 V379 L424 I454 E455 T456 L457 | V369-C373 HydrophobicContact CG2-CB 3.76Å; V369-C373 VanDerWaalsContact CG2-SG 3.53Å; V369-V379 HydrophobicContact CB-CG1 4.3Å; V369-V379 HydrophobicContact CB-CG2 4.14Å; V369-V379 HydrophobicContact CG2-CG2 4.07Å; V369-L424 HydrophobicContact CG1-CD1 3.42Å; V369-L424 VanDerWaalsContact CG1-CD1 3.42Å; V369-L424 HydrophobicContact CG2-CD1 4.4Å; V369-I454 HydrophobicContact CB-CG2 4.46Å; V369-I454 HydrophobicContact CG1-CG2 3.64Å; V369-E455 PolarHBondContact N-O 3.27Å; V369-T456 CarbonylContact O-C 3.6Å; V369-T456 VanDerWaalsContact O-CA 3.31Å; V369-T456 WeakPolarHBondContact O-CA 3.33Å; V369-L457 PolarHBondContact O-N 2.94Å |
| 370 | S | 92.1 | Very high | 91.6 | Very high | 36 Ų | 36 | 57.5 Ų | 57.5 | 25% | 0.252 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 143.9 | 174.1 | -176.9 | 0 | 0 | 0 | 0 | 110.2 | N372 C373 Q459 | S370-N372 PolarHBondContact O-N 2.96Å; S370-N372 PolarHBondContact OG-N 3.38Å; S370-C373 WeakPolarHBondContact O-CB 3.5Å; S370-C373 PolarHBondContact O-N 3.35Å; S370-C373 VanDerWaalsContact O-N 3.1Å; S370-Q459 WeakPolarHBondContact OG-CG 3.13Å |
| 371 | E | 91 | Very high | 91.6 | Very high | 10 Ų | 10 | 61.9 Ų | 61.9 | 5% | 0.047 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -27.9 | 172.4 | 69.1 | -166.8 | 166 | 0 | 0 | 113.1 | C373 L424 R426 T456 L457 Q459 | E371-C373 PolarHBondContact O-N 2.88Å; E371-L424 WeakPolarHBondContact CA-O 3.3Å; E371-L424 VanDerWaalsContact CB-O 3.26Å; E371-L424 WeakPolarHBondContact CB-O 3.33Å; E371-R426 WeakPolarHBondContact OE2-CB 3.42Å; E371-R426 PolarHBondContact OE2-N 2.86Å; E371-T456 HydrophobicContact CB-CG2 3.73Å; E371-L457 PolarHBondContact N-O 2.67Å; E371-Q459 HydrophobicContact CG-CB 3.93Å; E371-Q459 HydrophobicContact CG-CG 3.82Å; E371-Q459 WeakPolarHBondContact OE1-CA 3.17Å; E371-Q459 WeakPolarHBondContact OE1-CB 3.41Å; E371-Q459 PolarHBondContact OE1-N 2.94Å |
| 372 | N | 88.6 | Confident | 91.7 | Very high | 103 Ų | 103 | 58.6 Ų | 58.6 | 55% | 0.551 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | 6.3 | 172.8 | -77.4 | -31.3 | 0 | 0 | 0 | 113.9 | S370 Q459 | S370-N372 PolarHBondContact O-N 2.96Å; S370-N372 PolarHBondContact OG-N 3.38Å; N372-Q459 HydrophobicContact CB-CG 4.34Å; N372-Q459 VanDerWaalsContact ND2-CB 3.32Å; N372-Q459 WeakPolarHBondContact ND2-CB 3.32Å; N372-Q459 VanDerWaalsContact ND2-CG 3.3Å; N372-Q459 WeakPolarHBondContact ND2-CG 3.35Å |
| 373 | C | 85.8 | Confident | 91.7 | Very high | 25 Ų | 25 | 56.7 Ų | 56.7 | 17% | 0.169 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 121 | -177.9 | -156 | 0 | 0 | 0 | 0 | 109.3 | V369 S370 E371 C377 | V369-C373 HydrophobicContact CG2-CB 3.76Å; V369-C373 VanDerWaalsContact CG2-SG 3.53Å; S370-C373 WeakPolarHBondContact O-CB 3.5Å; S370-C373 PolarHBondContact O-N 3.35Å; S370-C373 VanDerWaalsContact O-N 3.1Å; E371-C373 PolarHBondContact O-N 2.88Å; C373-C377 HydrophobicContact CB-CB 4.07Å; C373-C377 WeakPolarHBondContact CB-SG 2.9Å; C373-C377 WeakPolarHBondContact SG-CB 3.46Å; C373-C377 CovalentContact SG-SG 1.99Å; C373-C377 PolarHBondContact SG-SG 2.94Å |
| 374 | P | 85.5 | Confident | 91.9 | Very high | 86 Ų | 86 | 52.7 Ų | 52.7 | 56% | 0.558 | 30% | 0.296 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 158.3 | -175.4 | 27.4 | -35 | 0 | 0 | 0 | 111.1 | I376 C377 | P374-I376 PolarHBondContact O-N 2.76Å; P374-C377 HydrophobicContact CG-CB 4.34Å; P374-C377 WeakPolarHBondContact O-CB 3.3Å; P374-C377 PolarHBondContact O-N 3.33Å; P374-C377 PolarHBondContact O-SG 2.82Å |
| 375 | P | 78.4 | Confident | 91.8 | Very high | 65 Ų | 65 | 51.5 Ų | 51.5 | 42% | 0.422 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -51.4 | 130.9 | 173.1 | -26.6 | 33.8 | 0 | 0 | 0 | 111.2 | E423 | P375-E423 HydrophobicContact CG-CG 3.95Š|
| 376 | I | 84.4 | Confident | 91.6 | Very high | 137 Ų | 137 | 51.4 Ų | 51.4 | 70% | 0.703 | 29% | 0.289 | S | S | * | . | S | Bend | trans | 72.5 | 46.7 | -174.7 | -40.3 | 168.6 | 0 | 0 | 0 | 112.2 | P374 A420 | P374-I376 PolarHBondContact O-N 2.76Å; I376-A420 WeakPolarHBondContact CA-O 3.29Å; I376-A420 PolarHBondContact N-O 3.19Å |
| 377 | C | 87.9 | Confident | 91.3 | Very high | 14 Ų | 14 | 45.9 Ų | 45.9 | 10% | 0.095 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 156 | 171.3 | 73 | 0 | 0 | 0 | 0 | 112.3 | C373 P374 S419 A420 | C373-C377 HydrophobicContact CB-CB 4.07Å; C373-C377 WeakPolarHBondContact CB-SG 2.9Å; C373-C377 WeakPolarHBondContact SG-CB 3.46Å; C373-C377 CovalentContact SG-SG 1.99Å; C373-C377 PolarHBondContact SG-SG 2.94Å; P374-C377 HydrophobicContact CG-CB 4.34Å; P374-C377 WeakPolarHBondContact O-CB 3.3Å; P374-C377 PolarHBondContact O-N 3.33Å; P374-C377 PolarHBondContact O-SG 2.82Å; C377-S419 CarbonylContact O-C 3.54Å; C377-S419 WeakPolarHBondContact O-CA 3.46Å; C377-S419 WeakPolarHBondContact O-CB 3.28Å; C377-S419 PolarHBondContact O-OG 3.37Å; C377-A420 PolarHBondContact N-O 2.7Å; C377-A420 PolarHBondContact O-N 2.9Å |
| 378 | A | 91.3 | Very high | 91 | Very high | 81 Ų | 81 | 46.3 Ų | 46.3 | 67% | 0.669 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 124.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 379 | V | 94.4 | Very high | 90.6 | Very high | 15 Ų | 15 | 45.4 Ų | 45.4 | 9% | 0.091 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | -50.7 | 174.2 | 179 | 0 | 0 | 0 | 0 | 109.5 | L367 V369 F409 I418 A420 I454 | L367-V379 HydrophobicContact CB-CG1 3.88Å; L367-V379 HydrophobicContact CD1-CG1 4.08Å; V369-V379 HydrophobicContact CB-CG1 4.3Å; V369-V379 HydrophobicContact CB-CG2 4.14Å; V369-V379 HydrophobicContact CG2-CG2 4.07Å; V379-F409 HydrophobicContact CG2-CD1 4.21Å; V379-F409 HydrophobicContact CG2-CE1 4.16Å; V379-I418 HydrophobicContact CB-CG2 4.25Å; V379-I418 PolarHBondContact N-O 2.85Å; V379-A420 HydrophobicContact CG2-CB 4.11Å; V379-I454 HydrophobicContact CG1-CD1 4.13Å; V379-I454 HydrophobicContact CG1-CG1 4.17Å; V379-I454 HydrophobicContact CG1-CG2 3.76Å |
| 380 | G | 93.9 | Very high | 90.2 | Very high | 18 Ų | 18 | 47.8 Ų | 47.8 | 19% | 0.186 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.8 | -158.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F417 I418 | G380-F417 CarbonylContact O-C 3.57Å; G380-F417 WeakPolarHBondContact O-CA 3.11Å; G380-I418 PolarHBondContact N-O 3.24Å; G380-I418 PolarHBondContact O-N 2.79Å |
| 381 | R | 95.1 | Very high | 90 | Very high | 110 Ų | 110 | 51.4 Ų | 51.4 | 42% | 0.415 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 137.1 | -176.7 | -178.9 | -179.1 | -177.2 | -157.9 | -1.4 | 111.2 | K415 G416 F417 | R381-K415 PolarHBondContact NE-O 3.3Å; R381-K415 PolarHBondContact NH2-O 3.14Å; R381-G416 WeakPolarHBondContact CA-O 3.44Å; R381-F417 HydrophobicContact CB-CD1 3.85Å; R381-F417 HydrophobicContact CB-CE1 3.97Å; R381-F417 HydrophobicContact CB-CG 4.45Å; R381-F417 HydrophobicContact CG-CD1 4.26Å; R381-F417 HydrophobicContact CG-CE1 4.32Å; R381-F417 HydrophobicContact CG-CG 4.44Å |
| 382 | V | 96.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | trans | -100.3 | 153.6 | 164.6 | -61.4 | 0 | 0 | 0 | 0 | 110.6 | F360 Y365 Y397 I411 G416 I418 V436 V452 | F360-V382 HydrophobicContact CD1-CB 4.43Å; F360-V382 HydrophobicContact CE1-CB 4.19Å; F360-V382 HydrophobicContact CE1-CG2 4.09Å; Y365-V382 HydrophobicContact CD1-CG1 4.05Å; Y365-V382 HydrophobicContact CD2-CB 4.41Å; Y365-V382 HydrophobicContact CD2-CG1 3.73Å; Y365-V382 HydrophobicContact CE1-CB 4.26Å; Y365-V382 HydrophobicContact CE1-CG1 4.23Å; Y365-V382 HydrophobicContact CE2-CB 4.08Å; Y365-V382 HydrophobicContact CE2-CG1 3.91Å; Y365-V382 HydrophobicContact CG-CG1 3.81Å; V382-Y397 HydrophobicContact CG2-CD1 4.01Å; V382-Y397 HydrophobicContact CG2-CE1 4.23Å; V382-I411 HydrophobicContact CG2-CD1 3.78Å; V382-G416 PolarHBondContact N-O 3.3Å; V382-I418 HydrophobicContact CG1-CD1 3.96Å; V382-V436 HydrophobicContact CG2-CG1 3.96Å; V382-V452 HydrophobicContact CG1-CG2 3.61Å | ||
| 383 | H | 95.1 | Very high | 89.7 | Confident | 67 Ų | 67 | 51.1 Ų | 51.1 | 31% | 0.31 | 31% | 0.311 | S | S | . | . | trans | -137.6 | 123.8 | -176.6 | -174.7 | 57.9 | 0 | 0 | 0 | 110.5 | F360 S361 Y365 S392 | F360-H383 CarbonylContact C-O 3.5Å; F360-H383 WeakPolarHBondContact CA-O 3.44Å; S361-H383 PolarHBondContact N-O 2.55Å; S361-H383 PolarHBondContact OG-O 3.46Å; Y365-H383 PolarHBondContact OH-N 2.92Å; Y365-H383 PolarHBondContact OH-O 2.92Å; H383-S392 PolarHBondContact CE1-OG 2.81Å | ||
| 384 | A | 94.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 153 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | P358 R359 F360 S392 I395 Y397 A438 | P358-A384 HydrophobicContact CB-CB 4.34Å; R359-A384 CarbonylContact O-C 3.6Å; R359-A384 WeakPolarHBondContact O-CA 3.13Å; F360-A384 HydrophobicContact CD1-CB 3.92Å; F360-A384 HydrophobicContact CE1-CB 4.19Å; F360-A384 HydrophobicContact CG-CB 4.13Å; A384-S392 WeakPolarHBondContact O-CB 3.45Å; A384-S392 PolarHBondContact O-OG 3.34Å; A384-I395 VanDerWaalsContact C-CD1 3.43Å; A384-I395 HydrophobicContact CB-CD1 3.99Å; A384-I395 WeakPolarHBondContact O-CD1 3.33Å; A384-Y397 HydrophobicContact CB-CE1 3.87Å; A384-Y397 PolarHBondContact N-OH 2.77Å; A384-Y397 PolarHBondContact O-OH 3.33Å; A384-A438 HydrophobicContact CB-CB 4.11Å |
| 385 | V | 93.9 | Very high | 90.2 | Very high | 39 Ų | 39 | 47.5 Ų | 47.5 | 24% | 0.236 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 147.3 | 172.7 | -66.2 | 0 | 0 | 0 | 0 | 108.8 | P358 R359 P387 | P358-V385 CarbonylContact C-O 3.59Å; R359-V385 PolarHBondContact N-O 3.17Å; R359-V385 PolarHBondContact O-N 3.4Å; V385-P387 WeakPolarHBondContact O-CD 3.26Å |
| 386 | D | 92.6 | Very high | 91 | Very high | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | trans | -77.5 | 116 | 171.3 | 179.7 | 24.5 | 0 | 0 | 0 | 107.7 | D388 T389 G390 Q391 Q440 | D386-D388 VanDerWaalsContact C-N 3.3Å; D386-D388 PolarHBondContact O-N 3.36Å; D386-T389 WeakPolarHBondContact CB-OG1 3.46Å; D386-T389 PolarHBondContact O-N 3.19Å; D386-T389 WeakPolarHBondContact OD2-CG2 3.45Å; D386-T389 PolarHBondContact OD2-OG1 3.35Å; D386-G390 VanDerWaalsContact O-CA 3.24Å; D386-G390 WeakPolarHBondContact O-CA 3.07Å; D386-G390 PolarHBondContact O-N 3.12Å; D386-Q391 WeakPolarHBondContact CB-O 3.43Å; D386-Q391 PolarHBondContact N-O 3.4Å; D386-Q440 PolarHBondContact OD1-NE2 3.49Å | ||
| 387 | P | 90.4 | Very high | 91.5 | Very high | 24 Ų | 24 | 45.2 Ų | 45.2 | 16% | 0.156 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -45.8 | -176.1 | -26.1 | 36 | 0 | 0 | 0 | 112.4 | E315 E356 P357 R359 V385 T389 | E315-P387 VanDerWaalsContact CG-O 3.26Å; E315-P387 WeakPolarHBondContact CG-O 3.41Å; E356-P387 HydrophobicContact CB-CB 4.09Å; E356-P387 HydrophobicContact CB-CG 3.95Å; E356-P387 WeakPolarHBondContact OE2-CB 3.09Å; P357-P387 WeakPolarHBondContact O-CD 3.47Å; P357-P387 WeakPolarHBondContact O-CG 3.22Å; R359-P387 HydrophobicContact CB-CG 3.97Å; V385-P387 WeakPolarHBondContact O-CD 3.26Å; P387-T389 VanDerWaalsContact C-N 3.31Å; P387-T389 PolarHBondContact O-N 2.55Å |
| 388 | D | 89.9 | Confident | 91.9 | Very high | 37 Ų | 37 | 46.9 Ų | 46.9 | 20% | 0.198 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -35.8 | -177.3 | -66.3 | -97.1 | 0 | 0 | 0 | 114.5 | N353 E356 D386 | N353-D388 PolarHBondContact ND2-OD1 2.74Å; E356-D388 PolarHBondContact N-OD2 2.85Å; D386-D388 VanDerWaalsContact C-N 3.3Å; D386-D388 PolarHBondContact O-N 3.36Å |
| 389 | T | 87.3 | Confident | 92.1 | Very high | 78 Ų | 78 | 44.1 Ų | 44.1 | 48% | 0.479 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | -16 | -173.8 | 64.8 | 0 | 0 | 0 | 0 | 113.5 | D386 P387 Q391 | D386-T389 WeakPolarHBondContact CB-OG1 3.46Å; D386-T389 PolarHBondContact O-N 3.19Å; D386-T389 WeakPolarHBondContact OD2-CG2 3.45Å; D386-T389 PolarHBondContact OD2-OG1 3.35Å; P387-T389 VanDerWaalsContact C-N 3.31Å; P387-T389 PolarHBondContact O-N 2.55Å; T389-Q391 PolarHBondContact O-N 3.34Å; T389-Q391 PolarHBondContact OG1-N 3.29Å |
| 390 | G | 85.3 | Confident | 92.2 | Very high | 54 Ų | 54 | 44.2 Ų | 44.2 | 56% | 0.557 | 25% | 0.246 | S | C | * | . | S | Bend | trans | 65.4 | 12 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | D386 | D386-G390 VanDerWaalsContact O-CA 3.24Å; D386-G390 WeakPolarHBondContact O-CA 3.07Å; D386-G390 PolarHBondContact O-N 3.12Å |
| 391 | Q | 87.8 | Confident | 92.2 | Very high | 112 Ų | 112 | 48.1 Ų | 48.1 | 52% | 0.523 | 27% | 0.267 | S | S | . | . | trans | -110.4 | 155.5 | -173.4 | -62.9 | -173.8 | 13.3 | 0 | 0 | 112.9 | D386 T389 S393 | D386-Q391 WeakPolarHBondContact CB-O 3.43Å; D386-Q391 PolarHBondContact N-O 3.4Å; T389-Q391 PolarHBondContact O-N 3.34Å; T389-Q391 PolarHBondContact OG1-N 3.29Å; Q391-S393 PolarHBondContact OE1-OG 3.23Å | ||
| 392 | S | 87.1 | Confident | 92.2 | Very high | 32 Ų | 32 | 51 Ų | 51 | 22% | 0.224 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -104.1 | 1.4 | 174 | -48.3 | 0 | 0 | 0 | 0 | 113.9 | H383 A384 N394 I395 | H383-S392 PolarHBondContact CE1-OG 2.81Å; A384-S392 WeakPolarHBondContact O-CB 3.45Å; A384-S392 PolarHBondContact O-OG 3.34Å; S392-N394 VanDerWaalsContact C-N 3.28Å; S392-N394 PolarHBondContact O-N 3.35Å; S392-I395 PolarHBondContact O-N 3.38Å |
| 393 | S | 86.4 | Confident | 92.1 | Very high | 75 Ų | 75 | 52.7 Ų | 52.7 | 52% | 0.524 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -32.6 | -174.7 | 54.7 | 0 | 0 | 0 | 0 | 112.5 | Q391 | Q391-S393 PolarHBondContact OE1-OG 3.23Š|
| 394 | N | 87.8 | Confident | 92.1 | Very high | 36 Ų | 36 | 50.1 Ų | 50.1 | 19% | 0.193 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 8.9 | -178.3 | -164.3 | 29 | 0 | 0 | 0 | 113.7 | S392 Q440 R441 D442 | S392-N394 VanDerWaalsContact C-N 3.28Å; S392-N394 PolarHBondContact O-N 3.35Å; N394-Q440 CarbonylContact O-C 3.59Å; N394-Q440 WeakPolarHBondContact O-CA 3.27Å; N394-R441 WeakPolarHBondContact O-CG 3.43Å; N394-R441 PolarHBondContact O-N 2.94Å; N394-R441 WeakPolarHBondContact OD1-CB 3.47Å; N394-D442 PolarHBondContact ND2-OD1 3.01Å; N394-D442 PolarHBondContact ND2-OD2 3.5Å; N394-D442 VanDerWaalsContact ND2-OD2 3.13Å |
| 395 | I | 93.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 146.4 | -176.5 | -58.5 | 171.4 | 0 | 0 | 0 | 110.8 | P358 A384 S392 Y397 A438 T439 R441 | P358-I395 HydrophobicContact CB-CD1 4.05Å; P358-I395 HydrophobicContact CB-CG1 4.22Å; P358-I395 HydrophobicContact CB-CG2 4.43Å; P358-I395 HydrophobicContact CG-CG1 4.32Å; A384-I395 VanDerWaalsContact C-CD1 3.43Å; A384-I395 HydrophobicContact CB-CD1 3.99Å; A384-I395 WeakPolarHBondContact O-CD1 3.33Å; S392-I395 PolarHBondContact O-N 3.38Å; I395-Y397 HydrophobicContact CB-CE2 4.45Å; I395-Y397 HydrophobicContact CG2-CD2 4.38Å; I395-Y397 HydrophobicContact CG2-CE1 4.14Å; I395-Y397 HydrophobicContact CG2-CE2 3.92Å; I395-A438 HydrophobicContact CG2-CB 3.91Å; I395-T439 CarbonylContact C-O 3.56Å; I395-T439 WeakPolarHBondContact CA-O 3.26Å; I395-R441 PolarHBondContact O-NE 3.4Å |
| 396 | R | 95.1 | Very high | 91.8 | Very high | 148 Ų | 148 | 60.4 Ų | 60.4 | 56% | 0.558 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 125.6 | 170.7 | -169.5 | 179.7 | -174.5 | 175.7 | 0.3 | 110.7 | S413 A438 T439 R441 | R396-S413 WeakPolarHBondContact CA-O 3.37Å; R396-A438 WeakPolarHBondContact O-CA 3.36Å; R396-T439 PolarHBondContact N-O 2.98Å; R396-T439 PolarHBondContact O-N 3.29Å; R396-T439 PolarHBondContact O-OG1 3.3Å; R396-R441 HydrophobicContact CB-CG 4.3Å |
| 397 | Y | 96.3 | Very high | 91.7 | Very high | 5 Ų | 5 | 63 Ų | 63 | 2% | 0.02 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 145.3 | 178.3 | -55.9 | -90 | 0 | 0 | 0 | 111.9 | F360 V382 A384 I395 I411 S413 V436 I437 A438 | F360-Y397 HydrophobicContact CE1-CD1 4.18Å; F360-Y397 HydrophobicContact CE1-CE1 4.01Å; F360-Y397 HydrophobicContact CZ-CD1 4.48Å; V382-Y397 HydrophobicContact CG2-CD1 4.01Å; V382-Y397 HydrophobicContact CG2-CE1 4.23Å; A384-Y397 HydrophobicContact CB-CE1 3.87Å; A384-Y397 PolarHBondContact N-OH 2.77Å; A384-Y397 PolarHBondContact O-OH 3.33Å; I395-Y397 HydrophobicContact CB-CE2 4.45Å; I395-Y397 HydrophobicContact CG2-CD2 4.38Å; I395-Y397 HydrophobicContact CG2-CE1 4.14Å; I395-Y397 HydrophobicContact CG2-CE2 3.92Å; Y397-I411 HydrophobicContact CG-CD1 4.39Å; Y397-S413 PolarHBondContact N-O 3.15Å; Y397-S413 WeakPolarHBondContact O-CA 3.44Å; Y397-V436 HydrophobicContact CD1-CG1 4.43Å; Y397-I437 CarbonylContact C-O 3.54Å; Y397-I437 WeakPolarHBondContact CA-O 3.21Å; Y397-A438 HydrophobicContact CD1-CB 4.21Å; Y397-A438 HydrophobicContact CE1-CB 4.27Å |
| 398 | S | 95.8 | Very high | 91.8 | Very high | 50 Ų | 50 | 63.1 Ų | 63.1 | 35% | 0.35 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 151.4 | 173.2 | 53.6 | 0 | 0 | 0 | 0 | 110.4 | V436 I437 | S398-V436 WeakPolarHBondContact O-CG1 3.43Å; S398-I437 PolarHBondContact N-O 3.3Å; S398-I437 PolarHBondContact O-N 2.92Å |
| 399 | I | 96.2 | Very high | 92.1 | Very high | 23 Ų | 23 | 61.8 Ų | 61.8 | 12% | 0.118 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 137.1 | 172.6 | -65.3 | 164.2 | 0 | 0 | 0 | 107.8 | P401 D404 F409 I411 I434 V436 | I399-P401 VanDerWaalsContact O-CD 3.23Å; I399-P401 WeakPolarHBondContact O-CD 3.26Å; I399-D404 HydrophobicContact CG2-CB 3.89Å; I399-F409 HydrophobicContact CD1-CB 3.86Å; I399-F409 WeakPolarHBondContact CD1-O 3.44Å; I399-I411 HydrophobicContact CD1-CB 4.06Å; I399-I411 HydrophobicContact CD1-CG2 4.19Å; I399-I411 HydrophobicContact CG1-CB 4.01Å; I399-I411 HydrophobicContact CG1-CG2 3.79Å; I399-I434 HydrophobicContact CD1-CD1 4.08Å; I399-I434 HydrophobicContact CG1-CD1 4.25Å; I399-I434 HydrophobicContact CG2-CB 4.32Å; I399-V436 HydrophobicContact CG1-CG2 4.42Å |
| 400 | D | 96.2 | Very high | 92.4 | Very high | 17 Ų | 17 | 66.7 Ų | 66.7 | 9% | 0.091 | 37% | 0.365 | C | S | . | . | trans | -65.4 | 115.1 | 172.3 | -172.9 | -14 | 0 | 0 | 0 | 109.3 | Q402 S403 D404 S435 I437 R449 | D400-Q402 PolarHBondContact O-N 2.97Å; D400-Q402 WeakPolarHBondContact OD1-CB 3.24Å; D400-Q402 PolarHBondContact OD1-N 2.9Å; D400-S403 PolarHBondContact O-N 2.73Å; D400-S403 PolarHBondContact O-OG 2.93Å; D400-D404 PolarHBondContact O-N 3.34Å; D400-S435 WeakPolarHBondContact CB-O 3.04Å; D400-S435 PolarHBondContact N-O 3.35Å; D400-I437 HydrophobicContact CB-CD1 3.9Å; D400-I437 HydrophobicContact CB-CG1 4.18Å; D400-R449 IonicContact OD2-CZ 2.84Å; D400-R449 IonicContact OD2-NH1 3.51Å; D400-R449 PolarHBondContact OD2-NH1 1.99Å; D400-R449 IonicContact OD2-NH2 3.89Å | ||
| 401 | P | 94.1 | Very high | 93 | Very high | 99 Ų | 99 | 65 Ų | 65 | 64% | 0.643 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -20.4 | -179.3 | -22.4 | 34.2 | 0 | 0 | 0 | 113.9 | I399 S403 D404 | I399-P401 VanDerWaalsContact O-CD 3.23Å; I399-P401 WeakPolarHBondContact O-CD 3.26Å; P401-S403 VanDerWaalsContact C-N 3.34Å; P401-D404 CarbonylContact O-C 3.55Å |
| 402 | Q | 94.1 | Very high | 93.3 | Very high | 172 Ų | 172 | 61.4 Ų | 61.4 | 80% | 0.804 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -26.9 | 175.4 | -63.5 | -171.6 | -15.7 | 0 | 0 | 112.7 | D400 | D400-Q402 PolarHBondContact O-N 2.97Å; D400-Q402 WeakPolarHBondContact OD1-CB 3.24Å; D400-Q402 PolarHBondContact OD1-N 2.9Å |
| 403 | S | 94.8 | Very high | 93.6 | Very high | 35 Ų | 35 | 62.5 Ų | 62.5 | 25% | 0.245 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -18.4 | 179.8 | 69 | 0 | 0 | 0 | 0 | 113.7 | D400 P401 S435 | D400-S403 PolarHBondContact O-N 2.73Å; D400-S403 PolarHBondContact O-OG 2.93Å; P401-S403 VanDerWaalsContact C-N 3.34Å; S403-S435 VanDerWaalsContact CB-N 3.35Å; S403-S435 PolarHBondContact OG-N 3.16Å |
| 404 | D | 93.9 | Very high | 93.9 | Very high | 13 Ų | 13 | 62.7 Ų | 62.7 | 7% | 0.07 | 34% | 0.335 | C | S | . | . | trans | -135.3 | 71.5 | 176.1 | -176 | 13.2 | 0 | 0 | 0 | 109.6 | I399 D400 P401 E406 A407 L408 F409 I434 | I399-D404 HydrophobicContact CG2-CB 3.89Å; D400-D404 PolarHBondContact O-N 3.34Å; P401-D404 CarbonylContact O-C 3.55Å; D404-E406 PolarHBondContact O-N 3.34Å; D404-A407 PolarHBondContact O-N 3.1Å; D404-A407 VanDerWaalsContact O-N 3.17Å; D404-A407 WeakPolarHBondContact OD1-CA 3.44Å; D404-A407 PolarHBondContact OD1-N 2.91Å; D404-A407 VanDerWaalsContact OD1-N 3.12Å; D404-A407 WeakPolarHBondContact OD2-CA 3.39Å; D404-L408 PolarHBondContact OD1-N 3.2Å; D404-L408 PolarHBondContact OD2-N 2.98Å; D404-L408 VanDerWaalsContact OD2-N 3.1Å; D404-F409 PolarHBondContact OD2-N 2.85Å; D404-I434 HydrophobicContact CB-CG2 3.94Å | ||
| 405 | P | 91.4 | Very high | 94 | Very high | 112 Ų | 112 | 66.2 Ų | 66.2 | 73% | 0.727 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -25.8 | -174.6 | 26.9 | -34.7 | 0 | 0 | 0 | 113.1 | A407 | P405-A407 VanDerWaalsContact C-N 3.32Š|
| 406 | E | 90.9 | Very high | 94 | Very high | 142 Ų | 142 | 66.2 Ų | 66.2 | 66% | 0.664 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -4.3 | 178 | -62.2 | -172.4 | -177.9 | 0 | 0 | 112.5 | D404 L408 | D404-E406 PolarHBondContact O-N 3.34Å; E406-L408 VanDerWaalsContact C-N 3.28Å; E406-L408 HydrophobicContact CB-CD2 3.71Å; E406-L408 HydrophobicContact CB-CG 3.92Å; E406-L408 PolarHBondContact O-N 2.94Å |
| 407 | A | 91.9 | Very high | 94 | Very high | 60 Ų | 60 | 63.8 Ų | 63.8 | 50% | 0.496 | 34% | 0.342 | S | S | . | . | trans | 53.4 | 43.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D404 P405 F409 V421 | D404-A407 PolarHBondContact O-N 3.1Å; D404-A407 VanDerWaalsContact O-N 3.17Å; D404-A407 WeakPolarHBondContact OD1-CA 3.44Å; D404-A407 PolarHBondContact OD1-N 2.91Å; D404-A407 VanDerWaalsContact OD1-N 3.12Å; D404-A407 WeakPolarHBondContact OD2-CA 3.39Å; P405-A407 VanDerWaalsContact C-N 3.32Å; A407-F409 PolarHBondContact O-N 2.87Å; A407-V421 WeakPolarHBondContact O-CG2 3.2Å | ||
| 408 | L | 92.8 | Very high | 94 | Very high | 25 Ų | 25 | 63.6 Ų | 63.6 | 13% | 0.131 | 34% | 0.341 | C | S | . | . | trans | -64.4 | -27.5 | 179.4 | -53.3 | 176.9 | 0 | 0 | 0 | 111.4 | D404 E406 V421 V422 | D404-L408 PolarHBondContact OD1-N 3.2Å; D404-L408 PolarHBondContact OD2-N 2.98Å; D404-L408 VanDerWaalsContact OD2-N 3.1Å; E406-L408 VanDerWaalsContact C-N 3.28Å; E406-L408 HydrophobicContact CB-CD2 3.71Å; E406-L408 HydrophobicContact CB-CG 3.92Å; E406-L408 PolarHBondContact O-N 2.94Å; L408-V421 VanDerWaalsContact O-CG2 3.26Å; L408-V421 WeakPolarHBondContact O-CG2 3.43Å; L408-V421 PolarHBondContact O-N 3.13Å; L408-V422 HydrophobicContact CB-CG2 4Å; L408-V422 HydrophobicContact CD2-CG2 3.58Å; L408-V422 HydrophobicContact CG-CG2 4.39Å | ||
| 409 | F | 95.1 | Very high | 94 | Very high | 10 Ų | 10 | 62.8 Ų | 62.8 | 4% | 0.044 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 150.2 | -176.3 | -56.9 | -80.5 | 0 | 0 | 0 | 112.5 | V379 I399 D404 A407 I418 S419 A420 L424 H432 I434 I454 | V379-F409 HydrophobicContact CG2-CD1 4.21Å; V379-F409 HydrophobicContact CG2-CE1 4.16Å; I399-F409 HydrophobicContact CD1-CB 3.86Å; I399-F409 WeakPolarHBondContact CD1-O 3.44Å; D404-F409 PolarHBondContact OD2-N 2.85Å; A407-F409 PolarHBondContact O-N 2.87Å; F409-I418 HydrophobicContact CB-CG2 4.21Å; F409-I418 HydrophobicContact CD1-CG2 4.27Å; F409-S419 WeakPolarHBondContact CA-O 3.44Å; F409-A420 HydrophobicContact CD1-CB 4.34Å; F409-A420 HydrophobicContact CE1-CB 4.27Å; F409-L424 HydrophobicContact CE1-CD1 3.98Å; F409-L424 HydrophobicContact CZ-CD1 4.05Å; F409-L424 HydrophobicContact CZ-CD2 4.22Å; F409-H432 HydrophobicContact CE2-CB 3.58Å; F409-H432 AromaticContact CE2-CG 3.84Å; F409-H432 HydrophobicContact CZ-CB 3.83Å; F409-H432 AromaticContact CZ-CD2 3.85Å; F409-H432 AromaticContact CZ-CG 3.87Å; F409-I434 HydrophobicContact CB-CD1 4.12Å; F409-I434 HydrophobicContact CD2-CD1 4.35Å; F409-I434 HydrophobicContact CD2-CG2 3.86Å; F409-I434 HydrophobicContact CE2-CG2 4.3Å; F409-I434 HydrophobicContact CG-CD1 4.26Å; F409-I454 HydrophobicContact CD1-CD1 3.7Å; F409-I454 HydrophobicContact CD2-CD1 4.2Å; F409-I454 HydrophobicContact CE1-CD1 3.51Å; F409-I454 HydrophobicContact CE1-CG2 4.15Å; F409-I454 HydrophobicContact CE2-CD1 4.05Å; F409-I454 HydrophobicContact CG-CD1 4.05Å; F409-I454 HydrophobicContact CZ-CB 4.39Å; F409-I454 HydrophobicContact CZ-CD1 3.7Å; F409-I454 HydrophobicContact CZ-CG2 4.2Å |
| 410 | R | 94.8 | Very high | 93.9 | Very high | 181 Ų | 181 | 61.7 Ų | 61.7 | 68% | 0.683 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 140.1 | 172.3 | -174.5 | 176.6 | 179.6 | -179.9 | 0.8 | 110.5 | I418 S419 V421 | R410-I418 CarbonylContact O-C 3.5Å; R410-I418 WeakPolarHBondContact O-CA 3.42Å; R410-S419 PolarHBondContact N-O 2.83Å; R410-S419 PolarHBondContact O-N 2.75Å; R410-V421 HydrophobicContact CB-CG1 3.68Å |
| 411 | I | 96.1 | Very high | 93.7 | Very high | 19 Ų | 19 | 63.2 Ų | 63.2 | 10% | 0.097 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 136.3 | 175.2 | -166.8 | 162.8 | 0 | 0 | 0 | 112.4 | V382 Y397 I399 S413 F417 I418 V436 | V382-I411 HydrophobicContact CG2-CD1 3.78Å; Y397-I411 HydrophobicContact CG-CD1 4.39Å; I399-I411 HydrophobicContact CD1-CB 4.06Å; I399-I411 HydrophobicContact CD1-CG2 4.19Å; I399-I411 HydrophobicContact CG1-CB 4.01Å; I399-I411 HydrophobicContact CG1-CG2 3.79Å; I411-S413 PolarHBondContact O-N 2.82Å; I411-F417 CarbonylContact C-O 3.59Å; I411-F417 VanDerWaalsContact CA-O 3.29Å; I411-F417 WeakPolarHBondContact CA-O 3.43Å; I411-I418 HydrophobicContact CB-CG1 4.38Å; I411-I418 HydrophobicContact CD1-CD1 4.45Å; I411-I418 HydrophobicContact CD1-CG1 3.93Å; I411-I418 HydrophobicContact CG1-CG1 4.06Å; I411-V436 HydrophobicContact CD1-CG1 3.5Å; I411-V436 HydrophobicContact CD1-CG2 4.14Å |
| 412 | A | 95.1 | Very high | 93.5 | Very high | 36 Ų | 36 | 61.1 Ų | 61.1 | 30% | 0.298 | 33% | 0.325 | S | S | . | . | trans | -71.4 | 114 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | D414 K415 G416 F417 | A412-D414 PolarHBondContact O-N 3.06Å; A412-D414 VanDerWaalsContact O-N 3.14Å; A412-K415 PolarHBondContact O-N 2.89Å; A412-G416 WeakPolarHBondContact O-CA 3.41Å; A412-G416 PolarHBondContact O-N 2.9Å; A412-F417 HydrophobicContact CB-CB 4.11Å; A412-F417 PolarHBondContact N-O 2.84Å | ||
| 413 | S | 93.4 | Very high | 93.3 | Very high | 54 Ų | 54 | 60.1 Ų | 60.1 | 38% | 0.378 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -19.6 | -168.6 | 61.7 | 0 | 0 | 0 | 0 | 115.1 | R396 Y397 I411 | R396-S413 WeakPolarHBondContact CA-O 3.37Å; Y397-S413 PolarHBondContact N-O 3.15Å; Y397-S413 WeakPolarHBondContact O-CA 3.44Å; I411-S413 PolarHBondContact O-N 2.82Å |
| 414 | D | 92.2 | Very high | 93.1 | Very high | 79 Ų | 79 | 59.1 Ų | 59.1 | 42% | 0.422 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -32.8 | -178.8 | 63.9 | -30.7 | 0 | 0 | 0 | 113.3 | A412 | A412-D414 PolarHBondContact O-N 3.06Å; A412-D414 VanDerWaalsContact O-N 3.14Å |
| 415 | K | 90.7 | Very high | 92.9 | Very high | 111 Ų | 111 | 61.5 Ų | 61.5 | 48% | 0.483 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | -15.2 | -171.6 | -70.3 | 173.4 | -171.5 | 178.9 | 0 | 114.4 | R381 A412 F417 | R381-K415 PolarHBondContact NE-O 3.3Å; R381-K415 PolarHBondContact NH2-O 3.14Å; A412-K415 PolarHBondContact O-N 2.89Å; K415-F417 HydrophobicContact CB-CD2 3.6Å; K415-F417 HydrophobicContact CB-CE2 3.97Å; K415-F417 HydrophobicContact CD-CD2 4.33Å; K415-F417 HydrophobicContact CD-CE2 4.24Å |
| 416 | G | 93.2 | Very high | 93 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | trans | 76.1 | 18.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | R381 V382 A412 | R381-G416 WeakPolarHBondContact CA-O 3.44Å; V382-G416 PolarHBondContact N-O 3.3Å; A412-G416 WeakPolarHBondContact O-CA 3.41Å; A412-G416 PolarHBondContact O-N 2.9Å | ||
| 417 | F | 95.4 | Very high | 93 | Very high | 97 Ų | 97 | 56.6 Ų | 56.6 | 43% | 0.425 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 129.8 | 174.1 | -79.4 | -77.3 | 0 | 0 | 0 | 110.7 | G380 R381 I411 A412 K415 | G380-F417 CarbonylContact O-C 3.57Å; G380-F417 WeakPolarHBondContact O-CA 3.11Å; R381-F417 HydrophobicContact CB-CD1 3.85Å; R381-F417 HydrophobicContact CB-CE1 3.97Å; R381-F417 HydrophobicContact CB-CG 4.45Å; R381-F417 HydrophobicContact CG-CD1 4.26Å; R381-F417 HydrophobicContact CG-CE1 4.32Å; R381-F417 HydrophobicContact CG-CG 4.44Å; I411-F417 CarbonylContact C-O 3.59Å; I411-F417 VanDerWaalsContact CA-O 3.29Å; I411-F417 WeakPolarHBondContact CA-O 3.43Å; A412-F417 HydrophobicContact CB-CB 4.11Å; A412-F417 PolarHBondContact N-O 2.84Å; K415-F417 HydrophobicContact CB-CD2 3.6Å; K415-F417 HydrophobicContact CB-CE2 3.97Å; K415-F417 HydrophobicContact CD-CD2 4.33Å; K415-F417 HydrophobicContact CD-CE2 4.24Å |
| 418 | I | 96.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 133.9 | 179.7 | -59.1 | 170.1 | 0 | 0 | 0 | 108.7 | L367 V379 G380 V382 F409 R410 I411 I434 V436 V452 I454 | L367-I418 HydrophobicContact CD1-CD1 4.2Å; V379-I418 HydrophobicContact CB-CG2 4.25Å; V379-I418 PolarHBondContact N-O 2.85Å; G380-I418 PolarHBondContact N-O 3.24Å; G380-I418 PolarHBondContact O-N 2.79Å; V382-I418 HydrophobicContact CG1-CD1 3.96Å; F409-I418 HydrophobicContact CB-CG2 4.21Å; F409-I418 HydrophobicContact CD1-CG2 4.27Å; R410-I418 CarbonylContact O-C 3.5Å; R410-I418 WeakPolarHBondContact O-CA 3.42Å; I411-I418 HydrophobicContact CB-CG1 4.38Å; I411-I418 HydrophobicContact CD1-CD1 4.45Å; I411-I418 HydrophobicContact CD1-CG1 3.93Å; I411-I418 HydrophobicContact CG1-CG1 4.06Å; I418-I434 HydrophobicContact CD1-CD1 4.45Å; I418-I434 HydrophobicContact CG2-CD1 4.43Å; I418-V436 HydrophobicContact CD1-CG2 4.13Å; I418-V452 HydrophobicContact CD1-CG1 4.04Å; I418-V452 HydrophobicContact CD1-CG2 4.16Å; I418-I454 HydrophobicContact CG2-CD1 4.48Å |
| 419 | S | 95 | Very high | 92.9 | Very high | 33 Ų | 33 | 64.4 Ų | 64.4 | 23% | 0.231 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 140.3 | 176.9 | -62.5 | 0 | 0 | 0 | 0 | 110.7 | C377 F409 R410 | C377-S419 CarbonylContact O-C 3.54Å; C377-S419 WeakPolarHBondContact O-CA 3.46Å; C377-S419 WeakPolarHBondContact O-CB 3.28Å; C377-S419 PolarHBondContact O-OG 3.37Å; F409-S419 WeakPolarHBondContact CA-O 3.44Å; R410-S419 PolarHBondContact N-O 2.83Å; R410-S419 PolarHBondContact O-N 2.75Å |
| 420 | A | 94 | Very high | 92.8 | Very high | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.008 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 131.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | I376 C377 V379 F409 L424 | I376-A420 WeakPolarHBondContact CA-O 3.29Å; I376-A420 PolarHBondContact N-O 3.19Å; C377-A420 PolarHBondContact N-O 2.7Å; C377-A420 PolarHBondContact O-N 2.9Å; V379-A420 HydrophobicContact CG2-CB 4.11Å; F409-A420 HydrophobicContact CD1-CB 4.34Å; F409-A420 HydrophobicContact CE1-CB 4.27Å; A420-L424 HydrophobicContact CB-CD1 4.06Å; A420-L424 HydrophobicContact CB-CG 4.44Å |
| 421 | V | 92.6 | Very high | 92.8 | Very high | 49 Ų | 49 | 63.9 Ų | 63.9 | 30% | 0.297 | 32% | 0.317 | S | S | . | . | trans | -104.7 | -8.5 | 179.9 | -68.3 | 0 | 0 | 0 | 0 | 113.2 | A407 L408 R410 | A407-V421 WeakPolarHBondContact O-CG2 3.2Å; L408-V421 VanDerWaalsContact O-CG2 3.26Å; L408-V421 WeakPolarHBondContact O-CG2 3.43Å; L408-V421 PolarHBondContact O-N 3.13Å; R410-V421 HydrophobicContact CB-CG1 3.68Å | ||
| 422 | V | 89.9 | Confident | 92.6 | Very high | 54 Ų | 54 | 63.6 Ų | 63.6 | 33% | 0.327 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -123 | 163.7 | 174.9 | -62.1 | 0 | 0 | 0 | 0 | 110 | L408 L424 | L408-V422 HydrophobicContact CB-CG2 4Å; L408-V422 HydrophobicContact CD2-CG2 3.58Å; L408-V422 HydrophobicContact CG-CG2 4.39Å; V422-L424 HydrophobicContact CG2-CD2 4.12Å |
| 423 | E | 89.1 | Confident | 92.6 | Very high | 151 Ų | 151 | 66.7 Ų | 66.7 | 71% | 0.706 | 33% | 0.326 | S | S | * | . | trans | -69.8 | 128.3 | 167.2 | -65.1 | 175.9 | 174 | 0 | 0 | 107.8 | P375 | P375-E423 HydrophobicContact CG-CG 3.95Š| ||
| 424 | L | 90.7 | Very high | 92.8 | Very high | 14 Ų | 14 | 64.3 Ų | 64.3 | 7% | 0.073 | 31% | 0.309 | C | S | . | . | trans | -96.7 | 146.1 | 176.5 | -60.2 | 174 | 0 | 0 | 0 | 107.6 | V369 E371 F409 A420 V422 T456 | V369-L424 HydrophobicContact CG1-CD1 3.42Å; V369-L424 VanDerWaalsContact CG1-CD1 3.42Å; V369-L424 HydrophobicContact CG2-CD1 4.4Å; E371-L424 WeakPolarHBondContact CA-O 3.3Å; E371-L424 VanDerWaalsContact CB-O 3.26Å; E371-L424 WeakPolarHBondContact CB-O 3.33Å; F409-L424 HydrophobicContact CE1-CD1 3.98Å; F409-L424 HydrophobicContact CZ-CD1 4.05Å; F409-L424 HydrophobicContact CZ-CD2 4.22Å; A420-L424 HydrophobicContact CB-CD1 4.06Å; A420-L424 HydrophobicContact CB-CG 4.44Å; V422-L424 HydrophobicContact CG2-CD2 4.12Å; L424-T456 HydrophobicContact CB-CG2 4.05Å | ||
| 425 | D | 90.4 | Very high | 93 | Very high | 64 Ų | 64 | 61.5 Ų | 61.5 | 34% | 0.342 | 30% | 0.296 | S | S | . | . | trans | -129.2 | 116.4 | 179.8 | 173.4 | 3.1 | 0 | 0 | 0 | 107.5 | E427 Q428 E429 | D425-E427 VanDerWaalsContact C-N 3.35Å; D425-E427 WeakPolarHBondContact OD1-CB 3.37Å; D425-E427 PolarHBondContact OD1-N 2.96Å; D425-Q428 HydrophobicContact CB-CB 4.04Å; D425-Q428 PolarHBondContact O-N 2.9Å; D425-Q428 PolarHBondContact OD1-N 3.27Å; D425-E429 PolarHBondContact O-N 2.85Å | ||
| 426 | R | 92.6 | Very high | 93.3 | Very high | 66 Ų | 66 | 56.2 Ų | 56.2 | 25% | 0.249 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -34.6 | -178.4 | -171.3 | -162.7 | 68.1 | 96.5 | -4.8 | 111.5 | E371 Q428 E429 Q430 T456 D458 | E371-R426 WeakPolarHBondContact OE2-CB 3.42Å; E371-R426 PolarHBondContact OE2-N 2.86Å; R426-Q428 PolarHBondContact O-N 3.4Å; R426-E429 CarbonylContact O-C 3.52Å; R426-E429 PolarHBondContact O-N 2.81Å; R426-Q430 HydrophobicContact CG-CB 4.22Å; R426-Q430 HydrophobicContact CG-CG 4.25Å; R426-T456 HydrophobicContact CB-CG2 3.88Å; R426-T456 WeakPolarHBondContact CD-O 3.23Å; R426-T456 WeakPolarHBondContact CG-O 3.18Å; R426-D458 VanDerWaalsContact CD-CB 3.43Å; R426-D458 IonicContact CZ-OD1 3.78Å; R426-D458 IonicContact CZ-OD2 3.71Å; R426-D458 IonicContact NE-OD1 3.95Å; R426-D458 PolarHBondContact NE-OD1 2.75Å; R426-D458 IonicContact NE-OD2 3.39Å; R426-D458 IonicContact NH2-OD1 3.45Å; R426-D458 PolarHBondContact NH2-OD1 2.8Å; R426-D458 IonicContact NH2-OD2 3.11Å; R426-D458 PolarHBondContact NH2-OD2 2.8Å |
| 427 | E | 91.8 | Very high | 93.4 | Very high | 85 Ų | 85 | 57.2 Ų | 57.2 | 40% | 0.397 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -26.3 | 176.5 | -81.1 | 62.8 | -130.9 | 0 | 0 | 111.8 | D425 N462 | D425-E427 VanDerWaalsContact C-N 3.35Å; D425-E427 WeakPolarHBondContact OD1-CB 3.37Å; D425-E427 PolarHBondContact OD1-N 2.96Å; E427-N462 PolarHBondContact OE2-ND2 3.19Å |
| 428 | Q | 90.5 | Very high | 93.5 | Very high | 152 Ų | 152 | 52.6 Ų | 52.6 | 71% | 0.71 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -54 | 172.1 | -175.1 | 176.5 | -17.7 | 0 | 0 | 112.2 | D425 R426 | D425-Q428 HydrophobicContact CB-CB 4.04Å; D425-Q428 PolarHBondContact O-N 2.9Å; D425-Q428 PolarHBondContact OD1-N 3.27Å; R426-Q428 PolarHBondContact O-N 3.4Å |
| 429 | E | 90.9 | Very high | 93.4 | Very high | 96 Ų | 96 | 53.8 Ų | 53.8 | 45% | 0.449 | 27% | 0.265 | S | S | . | . | trans | -149.3 | 116.2 | -179.2 | -170.7 | 168.8 | -147.3 | 0 | 0 | 112.1 | D425 R426 H432 | D425-E429 PolarHBondContact O-N 2.85Å; R426-E429 CarbonylContact O-C 3.52Å; R426-E429 PolarHBondContact O-N 2.81Å; E429-H432 IonicContact OE2-CE1 2.71Å; E429-H432 PolarHBondContact OE2-CE1 3.32Å; E429-H432 IonicContact OE2-ND1 2.58Å; E429-H432 PolarHBondContact OE2-ND1 2.95Å | ||
| 430 | Q | 93.3 | Very high | 93.2 | Very high | 81 Ų | 81 | 52.2 Ų | 52.2 | 38% | 0.379 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -76.9 | -35.5 | 179.8 | -177 | -174.5 | 2.8 | 0 | 0 | 113.3 | R426 E455 T456 | R426-Q430 HydrophobicContact CG-CB 4.22Å; R426-Q430 HydrophobicContact CG-CG 4.25Å; Q430-E455 HydrophobicContact CG-CG 4.41Å; Q430-E455 PolarHBondContact NE2-OE1 2.9Å; Q430-T456 PolarHBondContact O-N 3.38Å |
| 431 | W | 94.4 | Very high | 93 | Very high | 100 Ų | 100 | 58.7 Ų | 58.7 | 38% | 0.379 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 120.8 | -169.5 | -74.6 | 95.2 | 0 | 0 | 0 | 111.5 | A453 E455 | W431-A453 HydrophobicContact CE3-CB 4.34Å; W431-A453 HydrophobicContact CZ3-CB 4.19Å; W431-E455 HydrophobicContact CD2-CB 4.45Å; W431-E455 HydrophobicContact CE3-CB 4.08Å; W431-E455 HydrophobicContact CH2-CB 3.72Å; W431-E455 HydrophobicContact CH2-CG 4.01Å; W431-E455 HydrophobicContact CZ2-CB 4.11Å; W431-E455 VanDerWaalsContact CZ2-CD 3.46Å; W431-E455 HydrophobicContact CZ2-CG 3.88Å; W431-E455 HydrophobicContact CZ3-CB 3.71Å; W431-E455 HydrophobicContact CZ3-CG 4.38Å |
| 432 | H | 93.6 | Very high | 92.8 | Very high | 13 Ų | 13 | 61.8 Ų | 61.8 | 6% | 0.06 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 116.1 | 172.8 | -52.2 | -79.6 | 0 | 0 | 0 | 110.2 | F409 E429 I454 T456 | F409-H432 HydrophobicContact CE2-CB 3.58Å; F409-H432 AromaticContact CE2-CG 3.84Å; F409-H432 HydrophobicContact CZ-CB 3.83Å; F409-H432 AromaticContact CZ-CD2 3.85Å; F409-H432 AromaticContact CZ-CG 3.87Å; E429-H432 IonicContact OE2-CE1 2.71Å; E429-H432 PolarHBondContact OE2-CE1 3.32Å; E429-H432 IonicContact OE2-ND1 2.58Å; E429-H432 PolarHBondContact OE2-ND1 2.95Å; H432-I454 HydrophobicContact CB-CB 4.35Å; H432-I454 PolarHBondContact N-O 2.72Å; H432-I454 PolarHBondContact O-N 3.29Å; H432-T456 PolarHBondContact CD2-OG1 2.79Å; H432-T456 PolarHBondContact NE2-OG1 3.5Å |
| 433 | N | 95.3 | Very high | 92.7 | Very high | 101 Ų | 101 | 61.4 Ų | 61.4 | 54% | 0.54 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 100.2 | 179.7 | -70.7 | -42.1 | 0 | 0 | 0 | 110.3 | A453 | N433-A453 WeakPolarHBondContact OD1-CA 3Å; N433-A453 WeakPolarHBondContact OD1-CB 3.45Å |
| 434 | I | 95.9 | Very high | 92.6 | Very high | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 148.8 | 177.9 | 68.2 | 175.7 | 0 | 0 | 0 | 111 | I399 D404 F409 I418 V436 V452 I454 | I399-I434 HydrophobicContact CD1-CD1 4.08Å; I399-I434 HydrophobicContact CG1-CD1 4.25Å; I399-I434 HydrophobicContact CG2-CB 4.32Å; D404-I434 HydrophobicContact CB-CG2 3.94Å; F409-I434 HydrophobicContact CB-CD1 4.12Å; F409-I434 HydrophobicContact CD2-CD1 4.35Å; F409-I434 HydrophobicContact CD2-CG2 3.86Å; F409-I434 HydrophobicContact CE2-CG2 4.3Å; F409-I434 HydrophobicContact CG-CD1 4.26Å; I418-I434 HydrophobicContact CD1-CD1 4.45Å; I418-I434 HydrophobicContact CG2-CD1 4.43Å; I434-V436 HydrophobicContact CD1-CG2 4.5Å; I434-V452 HydrophobicContact CD1-CB 4.45Å; I434-V452 HydrophobicContact CG1-CB 3.8Å; I434-V452 HydrophobicContact CG1-CG1 4.47Å; I434-V452 HydrophobicContact CG1-CG2 4.49Å; I434-V452 PolarHBondContact N-O 2.82Å; I434-V452 PolarHBondContact O-N 3.36Å; I434-I454 HydrophobicContact CD1-CD1 3.87Å; I434-I454 HydrophobicContact CG1-CD1 4.25Å |
| 435 | S | 96.8 | Very high | 92.6 | Very high | 20 Ų | 20 | 64.2 Ų | 64.2 | 14% | 0.14 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 119.6 | 171.9 | -171.6 | 0 | 0 | 0 | 0 | 109.1 | D400 S403 A450 | D400-S435 WeakPolarHBondContact CB-O 3.04Å; D400-S435 PolarHBondContact N-O 3.35Å; S403-S435 VanDerWaalsContact CB-N 3.35Å; S403-S435 PolarHBondContact OG-N 3.16Å; S435-A450 WeakPolarHBondContact CA-O 3.19Å |
| 436 | V | 97.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 131.2 | 173 | -178.4 | 0 | 0 | 0 | 0 | 109.6 | F360 V382 Y397 S398 I399 I411 I418 I434 R449 A450 V452 | F360-V436 HydrophobicContact CE1-CG1 4.32Å; F360-V436 HydrophobicContact CZ-CB 4.46Å; F360-V436 HydrophobicContact CZ-CG1 4.12Å; V382-V436 HydrophobicContact CG2-CG1 3.96Å; Y397-V436 HydrophobicContact CD1-CG1 4.43Å; S398-V436 WeakPolarHBondContact O-CG1 3.43Å; I399-V436 HydrophobicContact CG1-CG2 4.42Å; I411-V436 HydrophobicContact CD1-CG1 3.5Å; I411-V436 HydrophobicContact CD1-CG2 4.14Å; I418-V436 HydrophobicContact CD1-CG2 4.13Å; I434-V436 HydrophobicContact CD1-CG2 4.5Å; V436-R449 CarbonylContact O-C 3.54Å; V436-R449 VanDerWaalsContact O-CA 3.3Å; V436-R449 WeakPolarHBondContact O-CA 3.39Å; V436-A450 PolarHBondContact N-O 3.05Å; V436-A450 PolarHBondContact O-N 3.37Å; V436-V452 HydrophobicContact CB-CG2 4.38Å; V436-V452 HydrophobicContact CG2-CG2 3.59Å |
| 437 | I | 96.3 | Very high | 92.7 | Very high | 21 Ų | 21 | 62.8 Ų | 62.8 | 11% | 0.108 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 128.5 | 177.5 | -55.2 | 178.8 | 0 | 0 | 0 | 109 | Y397 S398 D400 T439 V447 S448 R449 | Y397-I437 CarbonylContact C-O 3.54Å; Y397-I437 WeakPolarHBondContact CA-O 3.21Å; S398-I437 PolarHBondContact N-O 3.3Å; S398-I437 PolarHBondContact O-N 2.92Å; D400-I437 HydrophobicContact CB-CD1 3.9Å; D400-I437 HydrophobicContact CB-CG1 4.18Å; I437-T439 HydrophobicContact CG2-CG2 4Å; I437-V447 HydrophobicContact CG2-CG1 3.31Å; I437-S448 WeakPolarHBondContact CA-O 3.29Å; I437-R449 HydrophobicContact CG1-CG 4.24Å |
| 438 | A | 96.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 135 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | P358 F360 A384 I395 R396 Y397 V447 S448 | P358-A438 HydrophobicContact CB-CB 4.03Å; P358-A438 HydrophobicContact CG-CB 4.47Å; F360-A438 HydrophobicContact CE1-CB 4.19Å; F360-A438 HydrophobicContact CE2-CB 3.6Å; F360-A438 HydrophobicContact CZ-CB 3.41Å; F360-A438 VanDerWaalsContact CZ-CB 3.41Å; A384-A438 HydrophobicContact CB-CB 4.11Å; I395-A438 HydrophobicContact CG2-CB 3.91Å; R396-A438 WeakPolarHBondContact O-CA 3.36Å; Y397-A438 HydrophobicContact CD1-CB 4.21Å; Y397-A438 HydrophobicContact CE1-CB 4.27Å; A438-V447 WeakPolarHBondContact O-CA 3.02Å; A438-S448 PolarHBondContact N-O 3.44Å; A438-S448 PolarHBondContact O-N 2.87Å |
| 439 | T | 95 | Very high | 93.1 | Very high | 24 Ų | 24 | 59.3 Ų | 59.3 | 15% | 0.147 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 148.6 | 178.6 | 55.9 | 0 | 0 | 0 | 0 | 109.9 | I395 R396 I437 L446 V447 | I395-T439 CarbonylContact C-O 3.56Å; I395-T439 WeakPolarHBondContact CA-O 3.26Å; R396-T439 PolarHBondContact N-O 2.98Å; R396-T439 PolarHBondContact O-N 3.29Å; R396-T439 PolarHBondContact O-OG1 3.3Å; I437-T439 HydrophobicContact CG2-CG2 4Å; T439-L446 WeakPolarHBondContact CA-O 3.1Å; T439-V447 HydrophobicContact CG2-CB 4.41Å; T439-V447 HydrophobicContact CG2-CG1 4.16Å; T439-V447 HydrophobicContact CG2-CG2 3.9Å |
| 440 | Q | 91.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 148.3 | 168.4 | -69 | 174 | -23.6 | 0 | 0 | 110.3 | D355 E356 P358 D386 N394 D442 N443 L446 | D355-Q440 PolarHBondContact OD1-NE2 3.43Å; D355-Q440 PolarHBondContact OD1-OE1 3.27Å; D355-Q440 PolarHBondContact OD2-OE1 3.05Å; E356-Q440 PolarHBondContact O-NE2 2.86Å; P358-Q440 HydrophobicContact CG-CG 3.78Å; D386-Q440 PolarHBondContact OD1-NE2 3.49Å; N394-Q440 CarbonylContact O-C 3.59Å; N394-Q440 WeakPolarHBondContact O-CA 3.27Å; Q440-D442 WeakPolarHBondContact CB-OD1 3.43Å; Q440-N443 CarbonylContact O-C 3.58Å; Q440-L446 VanDerWaalsContact OE1-CD1 3.22Å |
| 441 | R | 89 | Confident | 93.5 | Very high | 137 Ų | 137 | 54.1 Ų | 54.1 | 52% | 0.517 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -77.9 | -33.7 | -176.3 | -66.1 | 172.5 | -176.9 | -166 | 2.7 | 112.9 | N394 I395 R396 | N394-R441 WeakPolarHBondContact O-CG 3.43Å; N394-R441 PolarHBondContact O-N 2.94Å; N394-R441 WeakPolarHBondContact OD1-CB 3.47Å; I395-R441 PolarHBondContact O-NE 3.4Å; R396-R441 HydrophobicContact CB-CG 4.3Å |
| 442 | D | 88 | Confident | 93.7 | Very high | 113 Ų | 113 | 49.3 Ų | 49.3 | 60% | 0.604 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -81.7 | -31.8 | 175.3 | 52.2 | -10.3 | 0 | 0 | 0 | 112.5 | N394 Q440 | N394-D442 PolarHBondContact ND2-OD1 3.01Å; N394-D442 PolarHBondContact ND2-OD2 3.5Å; N394-D442 VanDerWaalsContact ND2-OD2 3.13Å; Q440-D442 WeakPolarHBondContact CB-OD1 3.43Å |
| 443 | N | 87.8 | Confident | 93.8 | Very high | 46 Ų | 46 | 49 Ų | 49 | 25% | 0.246 | 25% | 0.254 | C | S | . | . | trans | -128.1 | 83.7 | 175.5 | -165.3 | -4.5 | 0 | 0 | 0 | 113.3 | D355 Q440 N445 L446 | D355-N443 PolarHBondContact OD2-ND2 3.36Å; Q440-N443 CarbonylContact O-C 3.58Å; N443-N445 PolarHBondContact O-N 2.91Å; N443-L446 HydrophobicContact CB-CD1 4.31Å; N443-L446 WeakPolarHBondContact ND2-CD1 3.2Å; N443-L446 PolarHBondContact O-N 3.47Å; N443-L446 VanDerWaalsContact O-N 3.13Å | ||
| 444 | P | 87.8 | Confident | 93.9 | Very high | 81 Ų | 81 | 44.2 Ų | 44.2 | 53% | 0.526 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -9.6 | -177.9 | -21.9 | 33.7 | 0 | 0 | 0 | 115.3 | L446 | P444-L446 VanDerWaalsContact C-N 3.29Š|
| 445 | N | 90.4 | Very high | 93.9 | Very high | 144 Ų | 144 | 46.9 Ų | 46.9 | 77% | 0.77 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -18 | 177.5 | -61.5 | -46.6 | 0 | 0 | 0 | 112.2 | N443 V447 | N443-N445 PolarHBondContact O-N 2.91Å; N445-V447 PolarHBondContact O-N 3.25Å |
| 446 | L | 91.3 | Very high | 93.7 | Very high | 34 Ų | 34 | 46 Ų | 46 | 18% | 0.178 | 24% | 0.235 | C | C | . | . | trans | -87.7 | 104.6 | 175.8 | -71.9 | -179.5 | 0 | 0 | 0 | 109.2 | D355 P357 T439 Q440 N443 P444 | D355-L446 HydrophobicContact CB-CD1 3.94Å; D355-L446 WeakPolarHBondContact O-CD1 3.14Å; D355-L446 WeakPolarHBondContact OD2-CD1 3.48Å; P357-L446 HydrophobicContact CB-CB 4.32Å; T439-L446 WeakPolarHBondContact CA-O 3.1Å; Q440-L446 VanDerWaalsContact OE1-CD1 3.22Å; N443-L446 HydrophobicContact CB-CD1 4.31Å; N443-L446 WeakPolarHBondContact ND2-CD1 3.2Å; N443-L446 PolarHBondContact O-N 3.47Å; N443-L446 VanDerWaalsContact O-N 3.13Å; P444-L446 VanDerWaalsContact C-N 3.29Å | ||
| 447 | V | 93.6 | Very high | 93.5 | Very high | 65 Ų | 65 | 48.9 Ų | 48.9 | 39% | 0.394 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 133.9 | -168.6 | -172.1 | 0 | 0 | 0 | 0 | 110.2 | I437 A438 T439 N445 | I437-V447 HydrophobicContact CG2-CG1 3.31Å; A438-V447 WeakPolarHBondContact O-CA 3.02Å; T439-V447 HydrophobicContact CG2-CB 4.41Å; T439-V447 HydrophobicContact CG2-CG1 4.16Å; T439-V447 HydrophobicContact CG2-CG2 3.9Å; N445-V447 PolarHBondContact O-N 3.25Å |
| 448 | S | 95.1 | Very high | 93.3 | Very high | 20 Ų | 20 | 52.2 Ų | 52.2 | 14% | 0.14 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 160 | 166.3 | 67.5 | 0 | 0 | 0 | 0 | 111.4 | P358 F360 I437 A438 | P358-S448 WeakPolarHBondContact O-CB 2.8Å; P358-S448 PolarHBondContact O-OG 3.18Å; F360-S448 WeakPolarHBondContact CD2-OG 2.92Å; F360-S448 VanDerWaalsContact CE2-OG 3.29Å; F360-S448 WeakPolarHBondContact CE2-OG 3.33Å; I437-S448 WeakPolarHBondContact CA-O 3.29Å; A438-S448 PolarHBondContact N-O 3.44Å; A438-S448 PolarHBondContact O-N 2.87Å |
| 449 | R | 95.7 | Very high | 93 | Very high | 145 Ų | 145 | 55.8 Ų | 55.8 | 55% | 0.547 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 139.6 | -176.4 | -68.4 | 168.4 | 175.3 | -103 | 2 | 109.7 | D400 V436 I437 | D400-R449 IonicContact OD2-CZ 2.84Å; D400-R449 IonicContact OD2-NH1 3.51Å; D400-R449 PolarHBondContact OD2-NH1 1.99Å; D400-R449 IonicContact OD2-NH2 3.89Å; V436-R449 CarbonylContact O-C 3.54Å; V436-R449 VanDerWaalsContact O-CA 3.3Å; V436-R449 WeakPolarHBondContact O-CA 3.39Å; I437-R449 HydrophobicContact CG1-CG 4.24Å |
| 450 | A | 96.6 | Very high | 92.6 | Very high | 2 Ų | 2 | 62.2 Ų | 62.2 | 2% | 0.017 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 148.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | F360 Y365 S435 V436 | F360-A450 HydrophobicContact CB-CB 4.11Å; F360-A450 HydrophobicContact CD1-CB 3.8Å; F360-A450 HydrophobicContact CD2-CB 3.66Å; F360-A450 HydrophobicContact CE1-CB 4.06Å; F360-A450 HydrophobicContact CE2-CB 3.92Å; F360-A450 HydrophobicContact CG-CB 3.59Å; F360-A450 HydrophobicContact CZ-CB 4.11Å; Y365-A450 HydrophobicContact CD2-CB 4.21Å; Y365-A450 HydrophobicContact CE2-CB 3.98Å; S435-A450 WeakPolarHBondContact CA-O 3.19Å; V436-A450 PolarHBondContact N-O 3.05Å; V436-A450 PolarHBondContact O-N 3.37Å |
| 451 | V | 96.7 | Very high | 92.2 | Very high | 65 Ų | 65 | 66.2 Ų | 66.2 | 39% | 0.394 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 134.9 | 173.5 | -179.9 | 0 | 0 | 0 | 0 | 108.5 | A363 V364 Y365 | A363-V451 PolarHBondContact O-N 3Å; V364-V451 CarbonylContact C-O 3.56Å; V364-V451 VanDerWaalsContact CA-O 3.3Å; V364-V451 WeakPolarHBondContact CA-O 3.26Å; V364-V451 HydrophobicContact CG1-CB 4.44Å; V364-V451 HydrophobicContact CG1-CG1 4.49Å; V364-V451 HydrophobicContact CG2-CB 4.39Å; Y365-V451 PolarHBondContact N-O 3.1Å |
| 452 | V | 97.6 | Very high | 92 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 108.4 | 173.1 | -173.1 | 0 | 0 | 0 | 0 | 107.2 | Y365 L367 V382 I418 I434 V436 I454 | Y365-V452 HydrophobicContact CD2-CG2 4.38Å; Y365-V452 CarbonylContact O-C 3.54Å; Y365-V452 WeakPolarHBondContact O-CA 3.44Å; L367-V452 HydrophobicContact CD1-CG1 3.51Å; L367-V452 HydrophobicContact CG-CG1 3.98Å; V382-V452 HydrophobicContact CG1-CG2 3.61Å; I418-V452 HydrophobicContact CD1-CG1 4.04Å; I418-V452 HydrophobicContact CD1-CG2 4.16Å; I434-V452 HydrophobicContact CD1-CB 4.45Å; I434-V452 HydrophobicContact CG1-CB 3.8Å; I434-V452 HydrophobicContact CG1-CG1 4.47Å; I434-V452 HydrophobicContact CG1-CG2 4.49Å; I434-V452 PolarHBondContact N-O 2.82Å; I434-V452 PolarHBondContact O-N 3.36Å; V436-V452 HydrophobicContact CB-CG2 4.38Å; V436-V452 HydrophobicContact CG2-CG2 3.59Å; V452-I454 HydrophobicContact CG1-CD1 4.28Å; V452-I454 HydrophobicContact CG1-CG1 3.85Å |
| 453 | A | 96.6 | Very high | 91.8 | Very high | 6 Ų | 6 | 62.3 Ų | 62.3 | 5% | 0.05 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 112.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | Y365 H366 L367 W431 N433 | Y365-A453 PolarHBondContact O-N 2.93Å; H366-A453 WeakPolarHBondContact CA-O 3.31Å; L367-A453 PolarHBondContact N-O 2.87Å; W431-A453 HydrophobicContact CE3-CB 4.34Å; W431-A453 HydrophobicContact CZ3-CB 4.19Å; N433-A453 WeakPolarHBondContact OD1-CA 3Å; N433-A453 WeakPolarHBondContact OD1-CB 3.45Å |
| 454 | I | 96.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 118.1 | -178.7 | -55.3 | 170.4 | 0 | 0 | 0 | 107.8 | L367 V369 V379 F409 I418 H432 I434 V452 | L367-I454 HydrophobicContact CB-CG1 4.41Å; L367-I454 CarbonylContact O-C 3.53Å; L367-I454 VanDerWaalsContact O-CA 3.27Å; L367-I454 WeakPolarHBondContact O-CA 3.43Å; V369-I454 HydrophobicContact CB-CG2 4.46Å; V369-I454 HydrophobicContact CG1-CG2 3.64Å; V379-I454 HydrophobicContact CG1-CD1 4.13Å; V379-I454 HydrophobicContact CG1-CG1 4.17Å; V379-I454 HydrophobicContact CG1-CG2 3.76Å; F409-I454 HydrophobicContact CD1-CD1 3.7Å; F409-I454 HydrophobicContact CD2-CD1 4.2Å; F409-I454 HydrophobicContact CE1-CD1 3.51Å; F409-I454 HydrophobicContact CE1-CG2 4.15Å; F409-I454 HydrophobicContact CE2-CD1 4.05Å; F409-I454 HydrophobicContact CG-CD1 4.05Å; F409-I454 HydrophobicContact CZ-CB 4.39Å; F409-I454 HydrophobicContact CZ-CD1 3.7Å; F409-I454 HydrophobicContact CZ-CG2 4.2Å; I418-I454 HydrophobicContact CG2-CD1 4.48Å; H432-I454 HydrophobicContact CB-CB 4.35Å; H432-I454 PolarHBondContact N-O 2.72Å; H432-I454 PolarHBondContact O-N 3.29Å; I434-I454 HydrophobicContact CD1-CD1 3.87Å; I434-I454 HydrophobicContact CG1-CD1 4.25Å; V452-I454 HydrophobicContact CG1-CD1 4.28Å; V452-I454 HydrophobicContact CG1-CG1 3.85Å |
| 455 | E | 95.7 | Very high | 91.4 | Very high | 60 Ų | 60 | 71.5 Ų | 71.5 | 28% | 0.28 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 124.2 | 173.7 | -171.8 | 169.5 | -161.3 | 0 | 0 | 110.2 | L367 D368 V369 Q430 W431 L457 | L367-E455 PolarHBondContact O-N 2.91Å; D368-E455 WeakPolarHBondContact CA-O 3.45Å; V369-E455 PolarHBondContact N-O 3.27Å; Q430-E455 HydrophobicContact CG-CG 4.41Å; Q430-E455 PolarHBondContact NE2-OE1 2.9Å; W431-E455 HydrophobicContact CD2-CB 4.45Å; W431-E455 HydrophobicContact CE3-CB 4.08Å; W431-E455 HydrophobicContact CH2-CB 3.72Å; W431-E455 HydrophobicContact CH2-CG 4.01Å; W431-E455 HydrophobicContact CZ2-CB 4.11Å; W431-E455 VanDerWaalsContact CZ2-CD 3.46Å; W431-E455 HydrophobicContact CZ2-CG 3.88Å; W431-E455 HydrophobicContact CZ3-CB 3.71Å; W431-E455 HydrophobicContact CZ3-CG 4.38Å; E455-L457 HydrophobicContact CG-CD2 4.38Å; E455-L457 PolarHBondContact O-N 3.24Å |
| 456 | T | 94 | Very high | 91 | Very high | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.006 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 115.5 | 170.6 | -52.3 | 0 | 0 | 0 | 0 | 108.6 | V369 E371 L424 R426 Q430 H432 | V369-T456 CarbonylContact O-C 3.6Å; V369-T456 VanDerWaalsContact O-CA 3.31Å; V369-T456 WeakPolarHBondContact O-CA 3.33Å; E371-T456 HydrophobicContact CB-CG2 3.73Å; L424-T456 HydrophobicContact CB-CG2 4.05Å; R426-T456 HydrophobicContact CB-CG2 3.88Å; R426-T456 WeakPolarHBondContact CD-O 3.23Å; R426-T456 WeakPolarHBondContact CG-O 3.18Å; Q430-T456 PolarHBondContact O-N 3.38Å; H432-T456 PolarHBondContact CD2-OG1 2.79Å; H432-T456 PolarHBondContact NE2-OG1 3.5Å |
| 457 | L | 93 | Very high | 90.4 | Very high | 62 Ų | 62 | 76.3 Ų | 76.3 | 33% | 0.325 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 131.1 | -177.5 | -59.6 | 179.8 | 0 | 0 | 0 | 111.4 | D368 V369 E371 E455 | D368-L457 HydrophobicContact CB-CD1 4.11Å; D368-L457 HydrophobicContact CB-CD2 4.18Å; D368-L457 HydrophobicContact CB-CG 4.09Å; V369-L457 PolarHBondContact O-N 2.94Å; E371-L457 PolarHBondContact N-O 2.67Å; E455-L457 HydrophobicContact CG-CD2 4.38Å; E455-L457 PolarHBondContact O-N 3.24Å |
| 458 | D | 91.1 | Very high | 89.7 | Confident | 90 Ų | 90 | 80.4 Ų | 80.4 | 48% | 0.481 | 42% | 0.42 | S | S | . | . | trans | -60.8 | 136.1 | -178 | -167.2 | 29.3 | 0 | 0 | 0 | 112.2 | R426 | R426-D458 VanDerWaalsContact CD-CB 3.43Å; R426-D458 IonicContact CZ-OD1 3.78Å; R426-D458 IonicContact CZ-OD2 3.71Å; R426-D458 IonicContact NE-OD1 3.95Å; R426-D458 PolarHBondContact NE-OD1 2.75Å; R426-D458 IonicContact NE-OD2 3.39Å; R426-D458 IonicContact NH2-OD1 3.45Å; R426-D458 PolarHBondContact NH2-OD1 2.8Å; R426-D458 IonicContact NH2-OD2 3.11Å; R426-D458 PolarHBondContact NH2-OD2 2.8Å | ||
| 459 | Q | 90.8 | Very high | 88.8 | Confident | 76 Ų | 76 | 88.9 Ų | 88.9 | 36% | 0.355 | 46% | 0.457 | S | S | . | . | trans | -131.6 | 148.6 | 170.5 | -56.3 | -70.2 | -58.1 | 0 | 0 | 108.5 | S370 E371 N372 D461 | S370-Q459 WeakPolarHBondContact OG-CG 3.13Å; E371-Q459 HydrophobicContact CG-CB 3.93Å; E371-Q459 HydrophobicContact CG-CG 3.82Å; E371-Q459 WeakPolarHBondContact OE1-CA 3.17Å; E371-Q459 WeakPolarHBondContact OE1-CB 3.41Å; E371-Q459 PolarHBondContact OE1-N 2.94Å; N372-Q459 HydrophobicContact CB-CG 4.34Å; N372-Q459 VanDerWaalsContact ND2-CB 3.32Å; N372-Q459 WeakPolarHBondContact ND2-CB 3.32Å; N372-Q459 VanDerWaalsContact ND2-CG 3.3Å; N372-Q459 WeakPolarHBondContact ND2-CG 3.35Å; Q459-D461 PolarHBondContact O-N 3.45Å | ||
| 460 | N | 86.2 | Confident | 87.7 | Confident | 158 Ų | 158 | 89.2 Ų | 89.2 | 85% | 0.845 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -82.6 | 75.1 | -180 | -177.5 | 88.5 | 0 | 0 | 0 | 110.2 | ||
| 461 | D | 83.1 | Confident | 86.7 | Confident | 85 Ų | 85 | 94.1 Ų | 94.1 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | trans | -100.9 | -17.3 | 178.2 | 71.1 | -19.1 | 0 | 0 | 0 | 113 | Q459 | Q459-D461 PolarHBondContact O-N 3.45Š| ||
| 462 | N | 85.1 | Confident | 85.4 | Confident | 90 Ų | 90 | 96 Ų | 96 | 48% | 0.481 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -91.6 | 129.5 | 174.9 | -75.5 | -78.2 | 0 | 0 | 0 | 111.9 | E427 | E427-N462 PolarHBondContact OE2-ND2 3.19Š|
| 463 | A | 84.6 | Confident | 84.3 | Confident | 79 Ų | 79 | 101.2 Ų | 101.2 | 65% | 0.653 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -85 | 147.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | E465 | A463-E465 PolarHBondContact O-N 2.85Å; A463-E465 VanDerWaalsContact O-N 3.17Å |
| 464 | P | 83.8 | Confident | 83.3 | Confident | 135 Ų | 135 | 104.8 Ų | 104.8 | 88% | 0.877 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 120.7 | 174.9 | 25.5 | -33.1 | 0 | 0 | 0 | 110.5 | ||
| 465 | E | 82.1 | Confident | 82.2 | Confident | 184 Ų | 184 | 109 Ų | 109 | 86% | 0.86 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -99.4 | 142.9 | 175.2 | -64.7 | -162.9 | 158.7 | 0 | 0 | 111.6 | A463 D467 | A463-E465 PolarHBondContact O-N 2.85Å; A463-E465 VanDerWaalsContact O-N 3.17Å; E465-D467 PolarHBondContact O-N 3.46Å |
| 466 | L | 81.3 | Confident | 81.1 | Confident | 133 Ų | 133 | 114.6 Ų | 114.6 | 70% | 0.696 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 124.3 | 172.6 | -66.3 | 168.8 | 0 | 0 | 0 | 108.6 | R468 Y470 | L466-R468 WeakPolarHBondContact CB-O 3.3Å; L466-R468 PolarHBondContact O-N 3.47Å; L466-Y470 HydrophobicContact CB-CD2 4.45Å; L466-Y470 HydrophobicContact CB-CE2 4.48Å; L466-Y470 HydrophobicContact CD1-CD2 4.22Å; L466-Y470 HydrophobicContact CD2-CD2 4.46Å; L466-Y470 HydrophobicContact CD2-CE2 4.37Å |
| 467 | D | 79.5 | Confident | 80.3 | Confident | 147 Ų | 147 | 119.9 Ų | 119.9 | 79% | 0.786 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -51.4 | -17.4 | 176.5 | -177.3 | 45 | 0 | 0 | 0 | 114 | E465 | E465-D467 PolarHBondContact O-N 3.46Š|
| 468 | R | 79.8 | Confident | 79.5 | Confident | 151 Ų | 151 | 119.2 Ų | 119.2 | 57% | 0.57 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -151.6 | 155 | 168.7 | 68.1 | -169.7 | 85.8 | 178.2 | 7.5 | 111 | L466 Y470 | L466-R468 WeakPolarHBondContact CB-O 3.3Å; L466-R468 PolarHBondContact O-N 3.47Å; R468-Y470 HydrophobicContact CG-CD1 4.32Å; R468-Y470 HydrophobicContact CG-CD2 4.03Å; R468-Y470 HydrophobicContact CG-CE1 3.88Å; R468-Y470 HydrophobicContact CG-CE2 3.57Å; R468-Y470 HydrophobicContact CG-CG 4.4Å; R468-Y470 VanDerWaalsContact CG-CZ 3.49Å; R468-Y470 PolarHBondContact NE-OH 3.17Å; R468-Y470 VanDerWaalsContact O-CD2 3.23Å; R468-Y470 WeakPolarHBondContact O-CD2 3.45Å; R468-Y470 PolarHBondContact O-N 2.91Å |
| 469 | Q | 75.3 | Confident | 78.7 | Confident | 197 Ų | 197 | 117.7 Ų | 117.7 | 92% | 0.921 | 67% | 0.667 | S | S | * | * | trans | -68.5 | 113.2 | 168.1 | -70.6 | -177.1 | -11.8 | 0 | 0 | 109.8 | ||||
| 470 | Y | 73.6 | Confident | 77.8 | Confident | 152 Ų | 152 | 120.7 Ų | 120.7 | 60% | 0.596 | 69% | 0.693 | S | S | * | * | trans | -88.6 | 104.8 | 170.3 | -65.7 | -86.1 | 0 | 0 | 0 | 108.8 | L466 R468 | L466-Y470 HydrophobicContact CB-CD2 4.45Å; L466-Y470 HydrophobicContact CB-CE2 4.48Å; L466-Y470 HydrophobicContact CD1-CD2 4.22Å; L466-Y470 HydrophobicContact CD2-CD2 4.46Å; L466-Y470 HydrophobicContact CD2-CE2 4.37Å; R468-Y470 HydrophobicContact CG-CD1 4.32Å; R468-Y470 HydrophobicContact CG-CD2 4.03Å; R468-Y470 HydrophobicContact CG-CE1 3.88Å; R468-Y470 HydrophobicContact CG-CE2 3.57Å; R468-Y470 HydrophobicContact CG-CG 4.4Å; R468-Y470 VanDerWaalsContact CG-CZ 3.49Å; R468-Y470 PolarHBondContact NE-OH 3.17Å; R468-Y470 VanDerWaalsContact O-CD2 3.23Å; R468-Y470 WeakPolarHBondContact O-CD2 3.45Å; R468-Y470 PolarHBondContact O-N 2.91Å | ||
| 471 | A | 74.3 | Confident | 77.2 | Confident | 105 Ų | 105 | 117.2 Ų | 117.2 | 87% | 0.868 | 69% | 0.694 | S | S | * | * | trans | -95.9 | 120 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 472 | T | 70.6 | Confident | 76.4 | Confident | 106 Ų | 106 | 119.7 Ų | 119.7 | 65% | 0.65 | 70% | 0.703 | S | S | * | * | trans | -121 | 146.1 | 167.4 | -169.8 | 0 | 0 | 0 | 0 | 109 | V483 | T472-V483 HydrophobicContact CG2-CG1 4.49Š| ||
| 473 | S | 74.5 | Confident | 75.2 | Confident | 108 Ų | 108 | 122.8 Ų | 122.8 | 76% | 0.755 | 73% | 0.725 | S | S | * | * | trans | -118.4 | 118.8 | 176.7 | 57.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 474 | V | 74.1 | Confident | 74.7 | Confident | 81 Ų | 81 | 125 Ų | 125 | 49% | 0.491 | 73% | 0.729 | S | S | . | * | trans | -97.7 | 128.6 | 174.5 | -175.9 | 0 | 0 | 0 | 0 | 108.3 | V483 | V474-V483 HydrophobicContact CG2-CG1 4.17Š| ||
| 475 | C | 73.9 | Confident | 74.3 | Confident | 88 Ų | 88 | 124.4 Ų | 124.4 | 60% | 0.595 | 72% | 0.721 | S | S | * | * | trans | -67.3 | 141.3 | 174.8 | -71.3 | 0 | 0 | 0 | 0 | 110.7 | S477 S478 | C475-S477 PolarHBondContact O-N 2.95Å; C475-S478 WeakPolarHBondContact O-CB 3.35Å; C475-S478 PolarHBondContact O-N 2.95Å; C475-S478 PolarHBondContact O-OG 3.13Å; C475-S478 VanDerWaalsContact O-OG 3.13Å | ||
| 476 | D | 72.8 | Confident | 73.8 | Confident | 178 Ų | 178 | 121.1 Ų | 121.1 | 95% | 0.952 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -12.7 | -179.3 | -163.7 | 21.3 | 0 | 0 | 0 | 113.7 | ||
| 477 | S | 77.5 | Confident | 73.4 | Confident | 113 Ų | 113 | 120.4 Ų | 120.4 | 79% | 0.79 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | 3.1 | 175.2 | 62.4 | 0 | 0 | 0 | 0 | 114.8 | C475 | C475-S477 PolarHBondContact O-N 2.95Š|
| 478 | S | 76.1 | Confident | 73 | Confident | 48 Ų | 48 | 118.8 Ų | 118.8 | 34% | 0.336 | 71% | 0.71 | S | S | . | * | P | Polyproline II helix | trans | -76.5 | 131.4 | -176.1 | -65.1 | 0 | 0 | 0 | 0 | 112.3 | C475 | C475-S478 WeakPolarHBondContact O-CB 3.35Å; C475-S478 PolarHBondContact O-N 2.95Å; C475-S478 PolarHBondContact O-OG 3.13Å; C475-S478 VanDerWaalsContact O-OG 3.13Å |
| 479 | A | 73.8 | Confident | 72.5 | Confident | 57 Ų | 57 | 116.6 Ų | 116.6 | 47% | 0.471 | 72% | 0.719 | S | S | . | * | P | Polyproline II helix | trans | -76.1 | 155.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G481 Q482 | A479-G481 PolarHBondContact O-N 3.2Å; A479-Q482 PolarHBondContact O-N 3.25Å |
| 480 | P | 72.4 | Confident | 72.3 | Confident | 139 Ų | 139 | 110.9 Ų | 110.9 | 90% | 0.903 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.1 | 126 | 180 | -25.2 | 33.7 | 0 | 0 | 0 | 112.5 | ||
| 481 | G | 73.5 | Confident | 72.2 | Confident | 85 Ų | 85 | 107.7 Ų | 107.7 | 88% | 0.876 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 95.3 | 5.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | A479 | A479-G481 PolarHBondContact O-N 3.2Š|
| 482 | Q | 66.4 | Low | 72.1 | Confident | 137 Ų | 137 | 107.9 Ų | 107.9 | 64% | 0.64 | 70% | 0.7 | S | S | * | * | trans | -113.1 | 120.5 | 170.6 | -63.5 | -169.3 | -23.3 | 0 | 0 | 110.2 | A479 | A479-Q482 PolarHBondContact O-N 3.25Š| ||
| 483 | V | 59.3 | Low | 72.2 | Confident | 155 Ų | 155 | 108.1 Ų | 108.1 | 94% | 0.939 | 70% | 0.704 | S | S | * | * | trans | -114.5 | 0 | 174.2 | -173 | 0 | 0 | 0 | 0 | 108.8 | T472 V474 | T472-V483 HydrophobicContact CG2-CG1 4.49Å; V474-V483 HydrophobicContact CG2-CG1 4.17Å |
Retrieved 483 of 483 residues in 780.3 ms
(Link to these results)