| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 27 | Very low | 25.4 | Very low | 233 Ų | 233 | 153.1 Ų | 153.1 | 100% | 1.148 | 81% | 0.812 | S | S | * | * | 0 | 152 | 0 | -81.3 | -173.3 | 170.8 | 0 | 0 | 108.3 | |||||
| 2 | T | 30.5 | Very low | 25.4 | Very low | 128 Ų | 128 | 152.6 Ų | 152.6 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | 59 | 122.5 | -144.1 | 67.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 3 | R | 21.8 | Very low | 25.5 | Very low | 175 Ų | 175 | 150.6 Ų | 150.6 | 66% | 0.66 | 80% | 0.8 | S | S | * | * | cis | 55.8 | 96 | 9.9 | -165.7 | 175 | -176.7 | 149.3 | 0.1 | 114.1 | E5 | R3-E5 IonicContact CZ-OE1 3.1Å; R3-E5 IonicContact NE-OE1 2.74Å; R3-E5 PolarHBondContact NE-OE1 3.25Å; R3-E5 IonicContact NH2-OE1 2.65Å; R3-E5 PolarHBondContact NH2-OE1 3.29Å | ||
| 4 | V | 28.7 | Very low | 25.2 | Very low | 131 Ų | 131 | 150 Ų | 150 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | trans | -125.1 | 136.4 | 150.9 | 175.5 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 5 | E | 19.9 | Very low | 25.1 | Very low | 132 Ų | 132 | 151.1 Ų | 151.1 | 62% | 0.617 | 81% | 0.806 | S | S | * | * | trans | -94.2 | 149.7 | 177.3 | -69 | 143.6 | -179.2 | 0 | 0 | 109.5 | R3 | R3-E5 IonicContact CZ-OE1 3.1Å; R3-E5 IonicContact NE-OE1 2.74Å; R3-E5 PolarHBondContact NE-OE1 3.25Å; R3-E5 IonicContact NH2-OE1 2.65Å; R3-E5 PolarHBondContact NH2-OE1 3.29Å | ||
| 6 | V | 28.7 | Very low | 25.2 | Very low | 140 Ų | 140 | 147.6 Ų | 147.6 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | trans | -130.7 | 134.4 | 164.5 | -176.6 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 7 | Q | 22.1 | Very low | 25.3 | Very low | 186 Ų | 186 | 146.2 Ų | 146.2 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | trans | -91.4 | 160.6 | 179.5 | -62.4 | -179.5 | -97.3 | 0 | 0 | 110 | ||||
| 8 | G | 24.7 | Very low | 25.2 | Very low | 64 Ų | 64 | 145.6 Ų | 145.6 | 66% | 0.66 | 81% | 0.809 | S | S | * | * | trans | -63.5 | 157.7 | -165 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 9 | D | 27.2 | Very low | 25 | Very low | 172 Ų | 172 | 148.1 Ų | 148.1 | 92% | 0.92 | 81% | 0.81 | S | S | * | * | trans | -135.4 | 139 | 133.1 | -86.2 | -45.7 | 0 | 0 | 0 | 106.2 | ||||
| 10 | Y | 23.3 | Very low | 25.1 | Very low | 238 Ų | 238 | 144.8 Ų | 144.8 | 93% | 0.933 | 81% | 0.812 | S | S | * | * | trans | -133.7 | 101.2 | -178.1 | -107.9 | -80.6 | 0 | 0 | 0 | 109.1 | ||||
| 11 | A | 24.8 | Very low | 25 | Very low | 85 Ų | 85 | 145.5 Ų | 145.5 | 70% | 0.702 | 81% | 0.812 | S | S | * | * | trans | -170 | 134.1 | 158.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 12 | N | 25.7 | Very low | 24.7 | Very low | 147 Ų | 147 | 142 Ų | 142 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | S | Bend | trans | 55.2 | 67.7 | 154.5 | -53.8 | -10 | 0 | 0 | 0 | 119.1 | ||
| 13 | D | 26.6 | Very low | 24.3 | Very low | 127 Ų | 127 | 141.9 Ų | 141.9 | 68% | 0.679 | 79% | 0.794 | S | S | * | * | trans | -158.6 | 119.6 | 135.7 | -158 | -7.7 | 0 | 0 | 0 | 111.3 | K15 | D13-K15 PolarHBondContact O-N 3.12Å; D13-K15 PolarHBondContact OD1-N 2.86Å | ||
| 14 | C | 21 | Very low | 24.3 | Very low | 142 Ų | 142 | 143 Ų | 143 | 96% | 0.959 | 80% | 0.803 | S | S | * | * | trans | -91.1 | 52 | 172.7 | -79.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 15 | K | 24.5 | Very low | 24.2 | Very low | 167 Ų | 167 | 141.8 Ų | 141.8 | 73% | 0.726 | 80% | 0.801 | S | S | * | * | trans | -130.2 | 142.2 | 176.6 | -78.3 | -178.7 | 173.5 | 171.2 | 0 | 113.3 | D13 | D13-K15 PolarHBondContact O-N 3.12Å; D13-K15 PolarHBondContact OD1-N 2.86Å | ||
| 16 | A | 26.5 | Very low | 24.5 | Very low | 94 Ų | 94 | 141 Ų | 141 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | trans | 64.2 | 95.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 17 | S | 26.8 | Very low | 24.4 | Very low | 124 Ų | 124 | 144.6 Ų | 144.6 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | trans | -47.9 | 139.3 | 151.6 | -66.5 | 0 | 0 | 0 | 0 | 111.9 | K19 | S17-K19 PolarHBondContact O-N 2.91Š| ||
| 18 | V | 23 | Very low | 24.5 | Very low | 136 Ų | 136 | 141.4 Ų | 141.4 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | trans | -75.5 | 113.8 | -163 | 179.2 | 0 | 0 | 0 | 0 | 113.8 | G20 | V18-G20 PolarHBondContact O-N 3.46Š| ||
| 19 | K | 22.8 | Very low | 24.6 | Very low | 193 Ų | 193 | 143.6 Ų | 143.6 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | trans | 36.3 | 73.3 | 151.4 | -69 | 177.3 | 176.7 | 165.6 | 0 | 117.3 | S17 | S17-K19 PolarHBondContact O-N 2.91Š| ||
| 20 | G | 26.4 | Very low | 24.5 | Very low | 81 Ų | 81 | 142.2 Ų | 142.2 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 133.1 | 151.5 | 0 | 0 | 0 | 0 | 0 | 111 | V18 | V18-G20 PolarHBondContact O-N 3.46Š|
| 21 | I | 22 | Very low | 24.9 | Very low | 160 Ų | 160 | 137 Ų | 137 | 82% | 0.821 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 131.4 | 178 | -63.5 | 174.6 | 0 | 0 | 0 | 109.8 | ||
| 22 | H | 21.3 | Very low | 25.1 | Very low | 161 Ų | 161 | 141.4 Ų | 141.4 | 75% | 0.745 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -47 | 142 | 174.7 | -72.3 | -78 | 0 | 0 | 0 | 114.2 | ||
| 23 | P | 22.7 | Very low | 25.4 | Very low | 124 Ų | 124 | 137.9 Ų | 137.9 | 81% | 0.805 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | -99.8 | 135.5 | 124.6 | 32.5 | -29 | 0 | 0 | 0 | 110 | |||
| 24 | K | 21.5 | Very low | 26 | Very low | 198 Ų | 198 | 135.1 Ų | 135.1 | 86% | 0.861 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 126.1 | 173.9 | -66.1 | -173.7 | 176.4 | -167.8 | 0 | 110.6 | ||
| 25 | S | 26.6 | Very low | 27.2 | Very low | 107 Ų | 107 | 133.9 Ų | 133.9 | 75% | 0.748 | 73% | 0.73 | S | S | * | * | trans | -145.5 | 144.2 | 149.8 | -171.2 | 0 | 0 | 0 | 0 | 108.4 | Y27 | S25-Y27 PolarHBondContact O-N 3.01Š| ||
| 26 | S | 26.2 | Very low | 28.6 | Very low | 116 Ų | 116 | 131 Ų | 131 | 81% | 0.811 | 72% | 0.72 | S | S | * | * | trans | -64.4 | 130.7 | 163.4 | -153.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 27 | Y | 25.4 | Very low | 30.7 | Very low | 215 Ų | 215 | 126.7 Ų | 126.7 | 84% | 0.843 | 68% | 0.683 | S | S | * | * | trans | -141.5 | 137.3 | 161.3 | -142.7 | -91.9 | 0 | 0 | 0 | 107 | S25 | S25-Y27 PolarHBondContact O-N 3.01Š| ||
| 28 | D | 24.7 | Very low | 32.9 | Very low | 118 Ų | 118 | 124.9 Ų | 124.9 | 63% | 0.631 | 66% | 0.664 | S | S | * | * | trans | -73.9 | 133.6 | -174.5 | -120.5 | -49.5 | 0 | 0 | 0 | 109.9 | F30 | D28-F30 VanDerWaalsContact C-N 3.32Š| ||
| 29 | P | 28.3 | Very low | 35.8 | Very low | 110 Ų | 110 | 118.4 Ų | 118.4 | 71% | 0.714 | 63% | 0.625 | S | S | * | * | trans | -85.8 | 4.2 | -178.4 | 34 | -34.9 | 0 | 0 | 0 | 114.3 | ||||
| 30 | F | 24.8 | Very low | 38.3 | Very low | 144 Ų | 144 | 113.3 Ų | 113.3 | 63% | 0.632 | 61% | 0.61 | S | S | * | * | trans | -58.9 | 139.8 | 160.9 | -70.4 | -85.3 | 0 | 0 | 0 | 109.4 | D28 | D28-F30 VanDerWaalsContact C-N 3.32Š| ||
| 31 | H | 30.6 | Very low | 40.7 | Very low | 127 Ų | 127 | 116.7 Ų | 116.7 | 59% | 0.588 | 61% | 0.609 | S | S | * | * | trans | 79.9 | 78.5 | -167.9 | -43 | -68 | 0 | 0 | 0 | 116.7 | E65 | H31-E65 IonicContact CE1-OE1 3.72Å; H31-E65 PolarHBondContact CE1-OE1 2.73Å | ||
| 32 | K | 30.2 | Very low | 43.5 | Very low | 179 Ų | 179 | 114.1 Ų | 114.1 | 78% | 0.778 | 59% | 0.589 | S | S | * | * | -121.3 | 115.7 | 123.8 | -86.2 | -158.2 | 168.8 | -163.3 | 0 | 110.6 | R178 | K32-R178 PolarHBondContact O-NH2 3.4Š| |||
| 33 | I | 31.5 | Very low | 46.3 | Very low | 72 Ų | 72 | 114 Ų | 114 | 37% | 0.369 | 59% | 0.589 | S | S | . | * | trans | -98.1 | 168.6 | 167.5 | -58.6 | 154.6 | 0 | 0 | 0 | 106.4 | T66 | I33-T66 HydrophobicContact CG2-CG2 3.89Š| ||
| 34 | D | 40.1 | Very low | 49.1 | Very low | 69 Ų | 69 | 112.8 Ų | 112.8 | 37% | 0.369 | 58% | 0.575 | S | S | . | * | trans | -30.4 | 118.6 | 175.9 | -170 | -21.5 | 0 | 0 | 0 | 113.6 | E36 F37 | D34-E36 PolarHBondContact O-N 3.46Å; D34-E36 VanDerWaalsContact O-N 3.16Å; D34-E36 PolarHBondContact OD1-N 3.22Å; D34-F37 PolarHBondContact O-N 3.02Å | ||
| 35 | P | 44.7 | Very low | 52.2 | Low | 116 Ų | 116 | 104.9 Ų | 104.9 | 75% | 0.753 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -16.7 | -171.4 | 27.4 | -36 | 0 | 0 | 0 | 114.6 | ||
| 36 | E | 53.5 | Low | 55.1 | Low | 108 Ų | 108 | 106 Ų | 106 | 51% | 0.505 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -23.1 | -175.9 | -153.3 | 67.9 | -159 | 0 | 0 | 112.8 | D34 P50 V51 | D34-E36 PolarHBondContact O-N 3.46Å; D34-E36 VanDerWaalsContact O-N 3.16Å; D34-E36 PolarHBondContact OD1-N 3.22Å; E36-P50 HydrophobicContact CG-CG 4.03Å; E36-P50 WeakPolarHBondContact O-CG 3.28Å; E36-V51 HydrophobicContact CG-CG2 3.82Å; E36-V51 WeakPolarHBondContact OE1-CG2 3.45Å |
| 37 | F | 71.2 | Confident | 57.9 | Low | 2 Ų | 2 | 103.7 Ų | 103.7 | 1% | 0.009 | 51% | 0.512 | C | S | . | . | trans | -138.2 | 96.4 | -177.2 | -166.5 | -89.2 | 0 | 0 | 0 | 114 | D34 C39 R42 Y47 P50 F59 T66 | D34-F37 PolarHBondContact O-N 3.02Å; F37-C39 VanDerWaalsContact CE1-SG 3.59Å; F37-R42 VanDerWaalsContact CE2-NH1 3.28Å; F37-Y47 HydrophobicContact CE1-CD2 4.44Å; F37-Y47 HydrophobicContact CE2-CG 4.43Å; F37-Y47 VanDerWaalsContact CZ-CB 3.45Å; F37-Y47 AromaticContact CZ-CD2 3.84Å; F37-Y47 HydrophobicContact CZ-CD2 3.84Å; F37-Y47 AromaticContact CZ-CG 3.72Å; F37-Y47 HydrophobicContact CZ-CG 3.72Å; F37-P50 HydrophobicContact CB-CG 4.3Å; F37-P50 HydrophobicContact CD2-CB 4.3Å; F37-P50 HydrophobicContact CD2-CG 3.96Å; F37-F59 HydrophobicContact CB-CD1 4.13Å; F37-F59 HydrophobicContact CB-CD2 3.7Å; F37-F59 HydrophobicContact CB-CE1 3.92Å; F37-F59 HydrophobicContact CB-CE2 3.49Å; F37-F59 VanDerWaalsContact CB-CE2 3.49Å; F37-F59 HydrophobicContact CB-CG 4.05Å; F37-F59 HydrophobicContact CB-CZ 3.61Å; F37-F59 HydrophobicContact CD1-CB 3.72Å; F37-F59 HydrophobicContact CD1-CD1 4.08Å; F37-F59 AromaticContact CD1-CD2 3.69Å; F37-F59 HydrophobicContact CD1-CD2 3.69Å; F37-F59 HydrophobicContact CD1-CE2 4.38Å; F37-F59 AromaticContact CD1-CG 3.54Å; F37-F59 HydrophobicContact CD1-CG 3.54Å; F37-F59 AromaticContact CD2-CD2 3.76Å; F37-F59 HydrophobicContact CD2-CD2 3.76Å; F37-F59 HydrophobicContact CD2-CE2 4.09Å; F37-F59 HydrophobicContact CD2-CG 4.46Å; F37-F59 HydrophobicContact CE1-CB 3.78Å; F37-F59 HydrophobicContact CE1-CD2 4.24Å; F37-F59 HydrophobicContact CE1-CG 4.09Å; F37-F59 HydrophobicContact CE2-CD2 4.29Å; F37-F59 HydrophobicContact CG-CB 4.39Å; F37-F59 HydrophobicContact CG-CD1 4.29Å; F37-F59 AromaticContact CG-CD2 3.42Å; F37-F59 HydrophobicContact CG-CD2 3.42Å; F37-F59 VanDerWaalsContact CG-CD2 3.42Å; F37-F59 AromaticContact CG-CE2 3.74Å; F37-F59 HydrophobicContact CG-CE2 3.74Å; F37-F59 AromaticContact CG-CG 3.77Å; F37-F59 HydrophobicContact CG-CG 3.77Å; F37-F59 HydrophobicContact CG-CZ 4.29Å; F37-F59 HydrophobicContact CZ-CB 4.49Å; F37-T66 HydrophobicContact CD1-CG2 3.84Å; F37-T66 WeakPolarHBondContact O-CG2 3.3Å; F37-T66 PolarHBondContact O-OG1 3.44Å | ||
| 38 | D | 72.5 | Confident | 60.4 | Low | 86 Ų | 86 | 94.1 Ų | 94.1 | 46% | 0.46 | 48% | 0.477 | S | S | . | . | trans | -93.8 | 128 | 177.4 | -175.4 | 12.4 | 0 | 0 | 0 | 113.2 | T40 R42 | D38-T40 VanDerWaalsContact CG-OG1 3.22Å; D38-T40 WeakPolarHBondContact OD1-CB 3.19Å; D38-T40 WeakPolarHBondContact OD1-CG2 3.5Å; D38-T40 PolarHBondContact OD1-N 3.06Å; D38-T40 PolarHBondContact OD1-OG1 3.03Å; D38-T40 VanDerWaalsContact OD1-OG1 3.11Å; D38-T40 PolarHBondContact OD2-OG1 3.04Å; D38-R42 VanDerWaalsContact O-CD 3.29Å; D38-R42 WeakPolarHBondContact O-CD 3.28Å; D38-R42 PolarHBondContact O-NE 2.7Å | ||
| 39 | C | 84.6 | Confident | 63 | Low | 0 Ų | 0 | 89.7 Ų | 89.7 | 0% | 0 | 45% | 0.453 | C | S | . | . | trans | -93.3 | -8.3 | 173.7 | -75.1 | 0 | 0 | 0 | 0 | 115.1 | F37 N41 R42 C61 G64 T66 | F37-C39 VanDerWaalsContact CE1-SG 3.59Å; C39-N41 PolarHBondContact O-N 3.29Å; C39-R42 PolarHBondContact O-N 3.4Å; C39-C61 HydrophobicContact CB-CB 3.71Å; C39-C61 WeakPolarHBondContact CB-SG 3.28Å; C39-C61 WeakPolarHBondContact SG-CA 3.39Å; C39-C61 WeakPolarHBondContact SG-CB 3.46Å; C39-C61 CovalentContact SG-SG 2.03Å; C39-C61 PolarHBondContact SG-SG 2.95Å; C39-G64 CarbonylContact C-O 3.54Å; C39-G64 WeakPolarHBondContact CB-O 3.37Å; C39-T66 WeakPolarHBondContact CB-OG1 3.49Å; C39-T66 PolarHBondContact N-OG1 2.97Å; C39-T66 PolarHBondContact SG-OG1 2.96Å | ||
| 40 | T | 75.1 | Confident | 64.6 | Low | 87 Ų | 87 | 86.5 Ų | 86.5 | 53% | 0.534 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -23.4 | -174.5 | 62.4 | 0 | 0 | 0 | 0 | 114.7 | D38 | D38-T40 VanDerWaalsContact CG-OG1 3.22Å; D38-T40 WeakPolarHBondContact OD1-CB 3.19Å; D38-T40 WeakPolarHBondContact OD1-CG2 3.5Å; D38-T40 PolarHBondContact OD1-N 3.06Å; D38-T40 PolarHBondContact OD1-OG1 3.03Å; D38-T40 VanDerWaalsContact OD1-OG1 3.11Å; D38-T40 PolarHBondContact OD2-OG1 3.04Å |
| 41 | N | 76.4 | Confident | 66.1 | Low | 152 Ų | 152 | 83.9 Ų | 83.9 | 81% | 0.813 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.9 | 10.2 | 178.8 | -69.8 | -91.8 | 0 | 0 | 0 | 113.3 | C39 | C39-N41 PolarHBondContact O-N 3.29Š|
| 42 | R | 82.3 | Confident | 67.6 | Low | 106 Ų | 106 | 81.2 Ų | 81.2 | 40% | 0.4 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -93.6 | 174.1 | 174.5 | -63.8 | -175.1 | -171.9 | -115.7 | 2 | 110.5 | F37 D38 C39 Y47 | F37-R42 VanDerWaalsContact CE2-NH1 3.28Å; D38-R42 VanDerWaalsContact O-CD 3.29Å; D38-R42 WeakPolarHBondContact O-CD 3.28Å; D38-R42 PolarHBondContact O-NE 2.7Å; C39-R42 PolarHBondContact O-N 3.4Å; R42-Y47 HydrophobicContact CB-CE2 4.24Å |
| 43 | Q | 78.7 | Confident | 69.1 | Low | 159 Ų | 159 | 76 Ų | 76 | 74% | 0.743 | 40% | 0.398 | S | S | * | . | trans | -98.6 | 157.4 | 172.5 | -66.2 | -176.6 | 23.6 | 0 | 0 | 109.5 | G45 Y47 C61 | Q43-G45 PolarHBondContact O-N 2.84Å; Q43-Y47 PolarHBondContact N-OH 2.84Å; Q43-Y47 WeakPolarHBondContact O-CE2 3.44Å; Q43-Y47 PolarHBondContact O-OH 2.9Å; Q43-C61 WeakPolarHBondContact O-CB 3.28Å | ||
| 44 | D | 82.8 | Confident | 71 | Confident | 97 Ų | 97 | 73.5 Ų | 73.5 | 52% | 0.519 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -59.4 | 122.7 | 174.2 | -61 | 0.4 | 0 | 0 | 0 | 109.5 | C61 R63 | D44-C61 CarbonylContact C-O 3.56Å; D44-C61 VanDerWaalsContact CA-O 3.27Å; D44-C61 WeakPolarHBondContact CA-O 3.35Å; D44-R63 VanDerWaalsContact CG-N 3.31Å; D44-R63 WeakPolarHBondContact OD1-CA 3.47Å; D44-R63 PolarHBondContact OD1-N 2.98Å; D44-R63 PolarHBondContact OD2-N 3.06Å |
| 45 | G | 86 | Confident | 72.7 | Confident | 33 Ų | 33 | 70.7 Ų | 70.7 | 34% | 0.34 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.8 | 173 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q43 Y47 C61 | Q43-G45 PolarHBondContact O-N 2.84Å; G45-Y47 WeakPolarHBondContact O-CD2 3.24Å; G45-C61 PolarHBondContact N-O 2.96Å; G45-C61 PolarHBondContact O-N 3.26Å |
| 46 | R | 87.8 | Confident | 74.3 | Confident | 131 Ų | 131 | 66.4 Ų | 66.4 | 49% | 0.494 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 146.2 | -179.9 | -60.3 | 178.5 | 175 | -149.1 | -1.1 | 111.2 | Y58 F59 A60 F77 | R46-Y58 HydrophobicContact CB-CD2 4.41Å; R46-Y58 HydrophobicContact CG-CE2 4.26Å; R46-Y58 PolarHBondContact NH1-OH 3.33Å; R46-F59 CarbonylContact C-O 3.57Å; R46-F59 VanDerWaalsContact CA-O 3.31Å; R46-F59 WeakPolarHBondContact CA-O 3.37Å; R46-A60 HydrophobicContact CG-CB 4.28Å; R46-F77 HydrophobicContact CB-CE1 4.46Å; R46-F77 HydrophobicContact CB-CE2 3.63Å; R46-F77 HydrophobicContact CB-CZ 3.37Å; R46-F77 HydrophobicContact CG-CE2 4.48Å |
| 47 | Y | 83.7 | Confident | 75.4 | Confident | 66 Ų | 66 | 61.8 Ų | 61.8 | 26% | 0.259 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 141.9 | -168.4 | -64.1 | -86.8 | 0 | 0 | 0 | 110.3 | F37 R42 Q43 G45 Y58 F59 C61 | F37-Y47 HydrophobicContact CE1-CD2 4.44Å; F37-Y47 HydrophobicContact CE2-CG 4.43Å; F37-Y47 VanDerWaalsContact CZ-CB 3.45Å; F37-Y47 AromaticContact CZ-CD2 3.84Å; F37-Y47 HydrophobicContact CZ-CD2 3.84Å; F37-Y47 AromaticContact CZ-CG 3.72Å; F37-Y47 HydrophobicContact CZ-CG 3.72Å; R42-Y47 HydrophobicContact CB-CE2 4.24Å; Q43-Y47 PolarHBondContact N-OH 2.84Å; Q43-Y47 WeakPolarHBondContact O-CE2 3.44Å; Q43-Y47 PolarHBondContact O-OH 2.9Å; G45-Y47 WeakPolarHBondContact O-CD2 3.24Å; Y47-Y58 WeakPolarHBondContact O-CB 3.49Å; Y47-F59 PolarHBondContact N-O 3.02Å; Y47-F59 WeakPolarHBondContact O-CA 3.45Å; Y47-F59 PolarHBondContact O-N 3.29Å; Y47-F59 VanDerWaalsContact O-O 3.14Å; Y47-C61 HydrophobicContact CD2-CB 4.48Å; Y47-C61 HydrophobicContact CE2-CB 4Å; Y47-C61 VanDerWaalsContact CE2-SG 3.53Å |
| 48 | A | 79.7 | Confident | 76 | Confident | 14 Ų | 14 | 62.2 Ų | 62.2 | 12% | 0.116 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 160.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | F77 A79 | A48-F77 HydrophobicContact CB-CD1 4Å; A48-A79 HydrophobicContact CB-CB 3.73Å |
| 49 | H | 78.9 | Confident | 76.8 | Confident | 26 Ų | 26 | 58.2 Ų | 58.2 | 12% | 0.12 | 31% | 0.305 | C | S | . | . | trans | -59.4 | 124.1 | 170.3 | -170 | -88.5 | 0 | 0 | 0 | 110.7 | V51 L52 N53 A57 F59 | H49-V51 PolarHBondContact O-N 3.08Å; H49-V51 VanDerWaalsContact O-N 3.12Å; H49-L52 HydrophobicContact CB-CB 4.29Å; H49-L52 WeakPolarHBondContact ND1-CB 3.16Å; H49-L52 PolarHBondContact ND1-N 2.84Å; H49-L52 CarbonylContact O-C 3.5Å; H49-L52 PolarHBondContact O-N 2.85Å; H49-N53 PolarHBondContact O-N 3.01Å; H49-N53 PolarHBondContact O-OD1 2.97Å; H49-A57 WeakPolarHBondContact CB-O 3.38Å; H49-F59 HydrophobicContact CB-CE2 4.39Å; H49-F59 AromaticContact CD2-CE2 3.42Å; H49-F59 VanDerWaalsContact CD2-CE2 3.42Å; H49-F59 WeakPolarHBondContact CD2-CE2 3.44Å; H49-F59 AromaticContact CD2-CZ 3.69Å | ||
| 50 | P | 61.9 | Low | 76.7 | Confident | 43 Ų | 43 | 58.8 Ų | 58.8 | 28% | 0.279 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -22.1 | -162.9 | 28.9 | -35.5 | 0 | 0 | 0 | 113.8 | E36 F37 | E36-P50 HydrophobicContact CG-CG 4.03Å; E36-P50 WeakPolarHBondContact O-CG 3.28Å; F37-P50 HydrophobicContact CB-CG 4.3Å; F37-P50 HydrophobicContact CD2-CB 4.3Å; F37-P50 HydrophobicContact CD2-CG 3.96Å |
| 51 | V | 56.8 | Low | 77.4 | Confident | 88 Ų | 88 | 54.9 Ų | 54.9 | 53% | 0.533 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -22.1 | 176.1 | -175.8 | 0 | 0 | 0 | 0 | 111.9 | E36 H49 | E36-V51 HydrophobicContact CG-CG2 3.82Å; E36-V51 WeakPolarHBondContact OE1-CG2 3.45Å; H49-V51 PolarHBondContact O-N 3.08Å; H49-V51 VanDerWaalsContact O-N 3.12Å |
| 52 | L | 61.4 | Low | 77.5 | Confident | 71 Ų | 71 | 52.7 Ų | 52.7 | 37% | 0.372 | 27% | 0.269 | S | S | . | . | trans | -137 | 60.8 | -163.5 | -59.8 | 173.8 | 0 | 0 | 0 | 111.9 | H49 C54 T55 | H49-L52 HydrophobicContact CB-CB 4.29Å; H49-L52 WeakPolarHBondContact ND1-CB 3.16Å; H49-L52 PolarHBondContact ND1-N 2.84Å; H49-L52 CarbonylContact O-C 3.5Å; H49-L52 PolarHBondContact O-N 2.85Å; L52-C54 PolarHBondContact O-N 3.49Å; L52-T55 HydrophobicContact CB-CG2 3.74Å; L52-T55 HydrophobicContact CD1-CG2 4.21Å; L52-T55 HydrophobicContact CG-CG2 4.45Å; L52-T55 PolarHBondContact O-N 3.05Å; L52-T55 PolarHBondContact O-OG1 2.96Å | ||
| 53 | N | 60.7 | Low | 77.4 | Confident | 69 Ų | 69 | 57.2 Ų | 57.2 | 37% | 0.369 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -21.7 | -178.3 | -67.9 | -12.8 | 0 | 0 | 0 | 115.2 | H49 A92 | H49-N53 PolarHBondContact O-N 3.01Å; H49-N53 PolarHBondContact O-OD1 2.97Å; N53-A92 HydrophobicContact CB-CB 4.11Å |
| 54 | C | 72.9 | Confident | 77.3 | Confident | 21 Ų | 21 | 50.9 Ų | 50.9 | 14% | 0.142 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112 | 58.6 | 175.7 | -163.8 | 0 | 0 | 0 | 0 | 111.2 | L52 C93 F99 | L52-C54 PolarHBondContact O-N 3.49Å; C54-C93 HydrophobicContact CB-CB 4.18Å; C54-C93 WeakPolarHBondContact CB-SG 3.36Å; C54-C93 WeakPolarHBondContact SG-CB 3.35Å; C54-C93 CovalentContact SG-SG 2.04Å; C54-C93 PolarHBondContact SG-SG 2.97Å; C54-F99 HydrophobicContact CB-CZ 4.45Å; C54-F99 VanDerWaalsContact SG-CZ 3.52Å |
| 55 | T | 75 | Confident | 76.5 | Confident | 9 Ų | 9 | 50.3 Ų | 50.3 | 6% | 0.055 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -134.8 | 161.5 | 169.7 | 54.2 | 0 | 0 | 0 | 0 | 111.8 | L52 A57 | L52-T55 HydrophobicContact CB-CG2 3.74Å; L52-T55 HydrophobicContact CD1-CG2 4.21Å; L52-T55 HydrophobicContact CG-CG2 4.45Å; L52-T55 PolarHBondContact O-N 3.05Å; L52-T55 PolarHBondContact O-OG1 2.96Å; T55-A57 PolarHBondContact O-N 3.29Å |
| 56 | P | 77.7 | Confident | 75.9 | Confident | 26 Ų | 26 | 49.1 Ų | 49.1 | 17% | 0.169 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -62.4 | -19.3 | 171.6 | -25.9 | 36.7 | 0 | 0 | 0 | 114.3 | I70 C71 D75 I76 | P56-I70 HydrophobicContact CB-CG2 3.88Å; P56-I70 CarbonylContact O-C 3.59Å; P56-I70 WeakPolarHBondContact O-CA 3.31Å; P56-C71 HydrophobicContact CB-CB 4.1Å; P56-C71 PolarHBondContact O-N 3.04Å; P56-C71 PolarHBondContact O-SG 2.94Å; P56-D75 WeakPolarHBondContact CA-O 3.47Å; P56-D75 WeakPolarHBondContact CB-O 3.31Å; P56-I76 HydrophobicContact CG-CD1 4.25Å |
| 57 | A | 78.3 | Confident | 75 | Confident | 11 Ų | 11 | 45.2 Ų | 45.2 | 9% | 0.091 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 137.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | H49 T55 L69 | H49-A57 WeakPolarHBondContact CB-O 3.38Å; T55-A57 PolarHBondContact O-N 3.29Å; A57-L69 CarbonylContact C-O 3.51Å; A57-L69 WeakPolarHBondContact CA-O 3.17Å |
| 58 | Y | 83.5 | Confident | 74.8 | Confident | 12 Ų | 12 | 44.6 Ų | 44.6 | 5% | 0.047 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 153.3 | 178.3 | 66.8 | -83.4 | 0 | 0 | 0 | 114.6 | R46 Y47 L69 F77 | R46-Y58 HydrophobicContact CB-CD2 4.41Å; R46-Y58 HydrophobicContact CG-CE2 4.26Å; R46-Y58 PolarHBondContact NH1-OH 3.33Å; Y47-Y58 WeakPolarHBondContact O-CB 3.49Å; Y58-L69 HydrophobicContact CD1-CB 4.15Å; Y58-L69 HydrophobicContact CD2-CB 4.1Å; Y58-L69 HydrophobicContact CD2-CD1 4.39Å; Y58-L69 HydrophobicContact CE1-CB 3.71Å; Y58-L69 HydrophobicContact CE2-CB 3.67Å; Y58-L69 HydrophobicContact CE2-CD1 3.52Å; Y58-L69 HydrophobicContact CE2-CG 4.21Å; Y58-L69 HydrophobicContact CG-CB 4.32Å; Y58-L69 VanDerWaalsContact CZ-CB 3.44Å; Y58-L69 PolarHBondContact N-O 2.9Å; Y58-L69 PolarHBondContact O-N 2.87Å; Y58-F77 HydrophobicContact CD1-CB 3.87Å; Y58-F77 AromaticContact CD1-CD2 3.79Å; Y58-F77 HydrophobicContact CD1-CD2 3.79Å; Y58-F77 HydrophobicContact CD1-CG 4.02Å; Y58-F77 AromaticContact CD2-CD2 3.45Å; Y58-F77 HydrophobicContact CD2-CD2 3.45Å; Y58-F77 VanDerWaalsContact CD2-CD2 3.45Å; Y58-F77 AromaticContact CD2-CE2 3.63Å; Y58-F77 HydrophobicContact CD2-CE2 3.63Å; Y58-F77 AromaticContact CD2-CG 3.99Å; Y58-F77 HydrophobicContact CD2-CG 3.99Å; Y58-F77 HydrophobicContact CD2-CZ 4.29Å; Y58-F77 HydrophobicContact CE1-CD2 4.2Å; Y58-F77 AromaticContact CE2-CD2 3.89Å; Y58-F77 HydrophobicContact CE2-CD2 3.89Å; Y58-F77 AromaticContact CE2-CE2 3.95Å; Y58-F77 HydrophobicContact CE2-CE2 3.95Å; Y58-F77 HydrophobicContact CG-CB 3.82Å; Y58-F77 HydrophobicContact CG-CD1 4.31Å; Y58-F77 AromaticContact CG-CD2 3.41Å; Y58-F77 HydrophobicContact CG-CD2 3.41Å; Y58-F77 VanDerWaalsContact CG-CD2 3.41Å; Y58-F77 HydrophobicContact CG-CE2 4.07Å; Y58-F77 AromaticContact CG-CG 3.55Å; Y58-F77 HydrophobicContact CG-CG 3.55Å |
| 59 | F | 87.7 | Confident | 74.6 | Confident | 1 Ų | 1 | 46 Ų | 46 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 127.2 | 170.7 | 41.5 | -162.4 | 0 | 0 | 0 | 112.3 | F37 R46 Y47 H49 T66 I67 R68 | F37-F59 HydrophobicContact CB-CD1 4.13Å; F37-F59 HydrophobicContact CB-CD2 3.7Å; F37-F59 HydrophobicContact CB-CE1 3.92Å; F37-F59 HydrophobicContact CB-CE2 3.49Å; F37-F59 VanDerWaalsContact CB-CE2 3.49Å; F37-F59 HydrophobicContact CB-CG 4.05Å; F37-F59 HydrophobicContact CB-CZ 3.61Å; F37-F59 HydrophobicContact CD1-CB 3.72Å; F37-F59 HydrophobicContact CD1-CD1 4.08Å; F37-F59 AromaticContact CD1-CD2 3.69Å; F37-F59 HydrophobicContact CD1-CD2 3.69Å; F37-F59 HydrophobicContact CD1-CE2 4.38Å; F37-F59 AromaticContact CD1-CG 3.54Å; F37-F59 HydrophobicContact CD1-CG 3.54Å; F37-F59 AromaticContact CD2-CD2 3.76Å; F37-F59 HydrophobicContact CD2-CD2 3.76Å; F37-F59 HydrophobicContact CD2-CE2 4.09Å; F37-F59 HydrophobicContact CD2-CG 4.46Å; F37-F59 HydrophobicContact CE1-CB 3.78Å; F37-F59 HydrophobicContact CE1-CD2 4.24Å; F37-F59 HydrophobicContact CE1-CG 4.09Å; F37-F59 HydrophobicContact CE2-CD2 4.29Å; F37-F59 HydrophobicContact CG-CB 4.39Å; F37-F59 HydrophobicContact CG-CD1 4.29Å; F37-F59 AromaticContact CG-CD2 3.42Å; F37-F59 HydrophobicContact CG-CD2 3.42Å; F37-F59 VanDerWaalsContact CG-CD2 3.42Å; F37-F59 AromaticContact CG-CE2 3.74Å; F37-F59 HydrophobicContact CG-CE2 3.74Å; F37-F59 AromaticContact CG-CG 3.77Å; F37-F59 HydrophobicContact CG-CG 3.77Å; F37-F59 HydrophobicContact CG-CZ 4.29Å; F37-F59 HydrophobicContact CZ-CB 4.49Å; R46-F59 CarbonylContact C-O 3.57Å; R46-F59 VanDerWaalsContact CA-O 3.31Å; R46-F59 WeakPolarHBondContact CA-O 3.37Å; Y47-F59 PolarHBondContact N-O 3.02Å; Y47-F59 WeakPolarHBondContact O-CA 3.45Å; Y47-F59 PolarHBondContact O-N 3.29Å; Y47-F59 VanDerWaalsContact O-O 3.14Å; H49-F59 HydrophobicContact CB-CE2 4.39Å; H49-F59 AromaticContact CD2-CE2 3.42Å; H49-F59 VanDerWaalsContact CD2-CE2 3.42Å; H49-F59 WeakPolarHBondContact CD2-CE2 3.44Å; H49-F59 AromaticContact CD2-CZ 3.69Å; F59-T66 HydrophobicContact CB-CG2 4.17Å; F59-T66 HydrophobicContact CD1-CG2 3.42Å; F59-T66 VanDerWaalsContact CD1-CG2 3.42Å; F59-T66 HydrophobicContact CE1-CG2 4.11Å; F59-T66 HydrophobicContact CG-CG2 4.08Å; F59-I67 WeakPolarHBondContact CB-O 3.4Å; F59-R68 HydrophobicContact CD1-CB 3.53Å; F59-R68 HydrophobicContact CD1-CG 3.96Å; F59-R68 HydrophobicContact CE1-CB 3.77Å; F59-R68 HydrophobicContact CE1-CG 3.93Å; F59-R68 HydrophobicContact CG-CB 4.44Å |
| 60 | A | 84.4 | Confident | 74.6 | Confident | 12 Ų | 12 | 49 Ų | 49 | 10% | 0.099 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 127.2 | 152.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | R46 I67 L69 | R46-A60 HydrophobicContact CG-CB 4.28Å; A60-I67 HydrophobicContact CB-CB 4.33Å; A60-I67 PolarHBondContact N-O 2.86Å; A60-I67 PolarHBondContact O-N 3.14Å; A60-L69 HydrophobicContact CB-CD1 3.66Å; A60-L69 HydrophobicContact CB-CG 4.39Å |
| 61 | C | 88 | Confident | 75.4 | Confident | 5 Ų | 5 | 47.3 Ų | 47.3 | 3% | 0.034 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 131.4 | 168.3 | -63 | 0 | 0 | 0 | 0 | 109.8 | C39 Q43 D44 G45 Y47 E65 | C39-C61 HydrophobicContact CB-CB 3.71Å; C39-C61 WeakPolarHBondContact CB-SG 3.28Å; C39-C61 WeakPolarHBondContact SG-CA 3.39Å; C39-C61 WeakPolarHBondContact SG-CB 3.46Å; C39-C61 CovalentContact SG-SG 2.03Å; C39-C61 PolarHBondContact SG-SG 2.95Å; Q43-C61 WeakPolarHBondContact O-CB 3.28Å; D44-C61 CarbonylContact C-O 3.56Å; D44-C61 VanDerWaalsContact CA-O 3.27Å; D44-C61 WeakPolarHBondContact CA-O 3.35Å; G45-C61 PolarHBondContact N-O 2.96Å; G45-C61 PolarHBondContact O-N 3.26Å; Y47-C61 HydrophobicContact CD2-CB 4.48Å; Y47-C61 HydrophobicContact CE2-CB 4Å; Y47-C61 VanDerWaalsContact CE2-SG 3.53Å; C61-E65 WeakPolarHBondContact CA-O 3.28Å |
| 62 | F | 78.8 | Confident | 75.8 | Confident | 107 Ų | 107 | 45.5 Ų | 45.5 | 47% | 0.469 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 116.5 | 168.5 | -173 | -120 | 0 | 0 | 0 | 109.5 | G64 E65 I67 | F62-G64 PolarHBondContact O-N 2.86Å; F62-E65 PolarHBondContact N-O 3.09Å; F62-E65 WeakPolarHBondContact O-CB 3.43Å; F62-E65 PolarHBondContact O-N 2.96Å; F62-I67 HydrophobicContact CB-CD1 4.38Å |
| 63 | R | 80.9 | Confident | 75.6 | Confident | 201 Ų | 201 | 44.9 Ų | 44.9 | 76% | 0.758 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 16.5 | 175.6 | -48.7 | 174.8 | 77.9 | 171.4 | 3.9 | 114.7 | D44 | D44-R63 VanDerWaalsContact CG-N 3.31Å; D44-R63 WeakPolarHBondContact OD1-CA 3.47Å; D44-R63 PolarHBondContact OD1-N 2.98Å; D44-R63 PolarHBondContact OD2-N 3.06Å |
| 64 | G | 76.6 | Confident | 75.6 | Confident | 26 Ų | 26 | 44.5 Ų | 44.5 | 27% | 0.268 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 104.8 | -8.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | C39 F62 | C39-G64 CarbonylContact C-O 3.54Å; C39-G64 WeakPolarHBondContact CB-O 3.37Å; F62-G64 PolarHBondContact O-N 2.86Å |
| 65 | E | 65.8 | Low | 75.8 | Confident | 84 Ų | 84 | 45 Ų | 45 | 39% | 0.393 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 136.1 | 177.1 | -62.1 | 173.4 | 142.7 | 0 | 0 | 110.7 | H31 C61 F62 | H31-E65 IonicContact CE1-OE1 3.72Å; H31-E65 PolarHBondContact CE1-OE1 2.73Å; C61-E65 WeakPolarHBondContact CA-O 3.28Å; F62-E65 PolarHBondContact N-O 3.09Å; F62-E65 WeakPolarHBondContact O-CB 3.43Å; F62-E65 PolarHBondContact O-N 2.96Å |
| 66 | T | 74 | Confident | 76.1 | Confident | 9 Ų | 9 | 44.5 Ų | 44.5 | 6% | 0.055 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 114.5 | 171.3 | -65 | 0 | 0 | 0 | 0 | 109.7 | I33 F37 C39 F59 | I33-T66 HydrophobicContact CG2-CG2 3.89Å; F37-T66 HydrophobicContact CD1-CG2 3.84Å; F37-T66 WeakPolarHBondContact O-CG2 3.3Å; F37-T66 PolarHBondContact O-OG1 3.44Å; C39-T66 WeakPolarHBondContact CB-OG1 3.49Å; C39-T66 PolarHBondContact N-OG1 2.97Å; C39-T66 PolarHBondContact SG-OG1 2.96Å; F59-T66 HydrophobicContact CB-CG2 4.17Å; F59-T66 HydrophobicContact CD1-CG2 3.42Å; F59-T66 VanDerWaalsContact CD1-CG2 3.42Å; F59-T66 HydrophobicContact CE1-CG2 4.11Å; F59-T66 HydrophobicContact CG-CG2 4.08Å |
| 67 | I | 69 | Low | 76.3 | Confident | 48 Ų | 48 | 43.4 Ų | 43.4 | 25% | 0.246 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 103.7 | 170.7 | -55.2 | 173.1 | 0 | 0 | 0 | 106.6 | F59 A60 F62 L69 | F59-I67 WeakPolarHBondContact CB-O 3.4Å; A60-I67 HydrophobicContact CB-CB 4.33Å; A60-I67 PolarHBondContact N-O 2.86Å; A60-I67 PolarHBondContact O-N 3.14Å; F62-I67 HydrophobicContact CB-CD1 4.38Å; I67-L69 HydrophobicContact CG2-CD2 3.92Å; I67-L69 HydrophobicContact CG2-CG 4.13Å |
| 68 | R | 79 | Confident | 76.6 | Confident | 54 Ų | 54 | 43 Ų | 43 | 20% | 0.204 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 141 | 165.2 | -173.3 | 172.4 | 171.3 | -105.8 | 1.7 | 107.8 | F59 E172 Q187 | F59-R68 HydrophobicContact CD1-CB 3.53Å; F59-R68 HydrophobicContact CD1-CG 3.96Å; F59-R68 HydrophobicContact CE1-CB 3.77Å; F59-R68 HydrophobicContact CE1-CG 3.93Å; F59-R68 HydrophobicContact CG-CB 4.44Å; R68-E172 IonicContact NH1-OE1 3.91Å; R68-E172 PolarHBondContact NH1-OE1 2.94Å; R68-Q187 WeakPolarHBondContact O-CG 3.43Å; R68-Q187 PolarHBondContact O-OE1 3.09Å |
| 69 | L | 74.4 | Confident | 76.4 | Confident | 43 Ų | 43 | 45.3 Ų | 45.3 | 23% | 0.225 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 161.1 | 174.9 | -66.5 | 173.6 | 0 | 0 | 0 | 108.5 | A57 Y58 A60 I67 | A57-L69 CarbonylContact C-O 3.51Å; A57-L69 WeakPolarHBondContact CA-O 3.17Å; Y58-L69 HydrophobicContact CD1-CB 4.15Å; Y58-L69 HydrophobicContact CD2-CB 4.1Å; Y58-L69 HydrophobicContact CD2-CD1 4.39Å; Y58-L69 HydrophobicContact CE1-CB 3.71Å; Y58-L69 HydrophobicContact CE2-CB 3.67Å; Y58-L69 HydrophobicContact CE2-CD1 3.52Å; Y58-L69 HydrophobicContact CE2-CG 4.21Å; Y58-L69 HydrophobicContact CG-CB 4.32Å; Y58-L69 VanDerWaalsContact CZ-CB 3.44Å; Y58-L69 PolarHBondContact N-O 2.9Å; Y58-L69 PolarHBondContact O-N 2.87Å; A60-L69 HydrophobicContact CB-CD1 3.66Å; A60-L69 HydrophobicContact CB-CG 4.39Å; I67-L69 HydrophobicContact CG2-CD2 3.92Å; I67-L69 HydrophobicContact CG2-CG 4.13Å |
| 70 | I | 80.2 | Confident | 75.9 | Confident | 88 Ų | 88 | 48.8 Ų | 48.8 | 45% | 0.451 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 146.8 | 172.4 | -55 | -179.2 | 0 | 0 | 0 | 107.5 | P56 | P56-I70 HydrophobicContact CB-CG2 3.88Å; P56-I70 CarbonylContact O-C 3.59Å; P56-I70 WeakPolarHBondContact O-CA 3.31Å |
| 71 | C | 78.7 | Confident | 75.8 | Confident | 8 Ų | 8 | 53.8 Ų | 53.8 | 5% | 0.054 | 29% | 0.286 | C | S | . | . | trans | -67.2 | 150.4 | 175.1 | -76.2 | 0 | 0 | 0 | 0 | 111 | P56 S73 D75 F77 C84 | P56-C71 HydrophobicContact CB-CB 4.1Å; P56-C71 PolarHBondContact O-N 3.04Å; P56-C71 PolarHBondContact O-SG 2.94Å; C71-S73 PolarHBondContact O-N 3.38Å; C71-D75 HydrophobicContact CB-CB 4.34Å; C71-D75 VanDerWaalsContact CB-O 3.22Å; C71-D75 WeakPolarHBondContact CB-O 3.19Å; C71-F77 PolarHBondContact SG-N 3.01Å; C71-C84 WeakPolarHBondContact CA-SG 3.46Å; C71-C84 HydrophobicContact CB-CB 3.74Å; C71-C84 WeakPolarHBondContact CB-SG 3.25Å; C71-C84 WeakPolarHBondContact SG-CB 3.43Å; C71-C84 CovalentContact SG-SG 2.04Å; C71-C84 PolarHBondContact SG-SG 3.3Å | ||
| 72 | P | 64.4 | Low | 75.7 | Confident | 51 Ų | 51 | 54.9 Ų | 54.9 | 33% | 0.331 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -62.6 | -4.4 | -175.7 | 22.4 | -34.5 | 0 | 0 | 0 | 116.2 | D252 | P72-D252 HydrophobicContact CB-CB 3.3Š|
| 73 | S | 57.7 | Low | 76.1 | Confident | 57 Ų | 57 | 54.8 Ų | 54.8 | 40% | 0.399 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -159.3 | -167.2 | -175.9 | 67.1 | 0 | 0 | 0 | 0 | 108.8 | C71 D75 | C71-S73 PolarHBondContact O-N 3.38Å; S73-D75 PolarHBondContact O-N 2.9Å; S73-D75 WeakPolarHBondContact OG-CB 3.38Å; S73-D75 PolarHBondContact OG-N 2.85Å; S73-D75 PolarHBondContact OG-OD1 3.19Å |
| 74 | T | 61.1 | Low | 76.4 | Confident | 61 Ų | 61 | 46.3 Ų | 46.3 | 37% | 0.374 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -63.7 | 2 | 166.2 | 57.1 | 0 | 0 | 0 | 0 | 114.1 | F132 | T74-F132 WeakPolarHBondContact CG2-O 3.36Š|
| 75 | D | 77.3 | Confident | 76.7 | Confident | 31 Ų | 31 | 46.8 Ų | 46.8 | 17% | 0.166 | 27% | 0.265 | C | S | . | . | trans | -56.6 | 154.7 | 169.4 | -83.1 | 17.2 | 0 | 0 | 0 | 112.5 | P56 C71 S73 C84 Q85 P86 | P56-D75 WeakPolarHBondContact CA-O 3.47Å; P56-D75 WeakPolarHBondContact CB-O 3.31Å; C71-D75 HydrophobicContact CB-CB 4.34Å; C71-D75 VanDerWaalsContact CB-O 3.22Å; C71-D75 WeakPolarHBondContact CB-O 3.19Å; S73-D75 PolarHBondContact O-N 2.9Å; S73-D75 WeakPolarHBondContact OG-CB 3.38Å; S73-D75 PolarHBondContact OG-N 2.85Å; S73-D75 PolarHBondContact OG-OD1 3.19Å; D75-C84 HydrophobicContact CB-CB 4.15Å; D75-Q85 WeakPolarHBondContact CA-O 3.22Å; D75-Q85 WeakPolarHBondContact CB-O 3.27Å; D75-Q85 VanDerWaalsContact OD2-CA 3.25Å; D75-Q85 WeakPolarHBondContact OD2-CA 3.39Å; D75-P86 VanDerWaalsContact CG-N 3.28Å; D75-P86 VanDerWaalsContact OD1-CA 3.31Å; D75-P86 WeakPolarHBondContact OD1-CA 3.18Å; D75-P86 WeakPolarHBondContact OD1-CG 3.12Å; D75-P86 VanDerWaalsContact OD2-CD 3.31Å; D75-P86 WeakPolarHBondContact OD2-CD 3.37Å | ||
| 76 | I | 81.1 | Confident | 77.3 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 143.3 | -176.4 | -54.7 | -57.7 | 0 | 0 | 0 | 109.1 | P56 D78 C84 Q85 A87 V90 | P56-I76 HydrophobicContact CG-CD1 4.25Å; I76-D78 PolarHBondContact O-N 3.32Å; I76-C84 WeakPolarHBondContact O-CA 3.36Å; I76-Q85 PolarHBondContact N-O 2.95Å; I76-Q85 PolarHBondContact O-N 2.89Å; I76-Q85 VanDerWaalsContact O-O 3.13Å; I76-A87 HydrophobicContact CG1-CB 3.67Å; I76-V90 HydrophobicContact CB-CG2 3.95Å; I76-V90 HydrophobicContact CG2-CG1 4.28Å; I76-V90 HydrophobicContact CG2-CG2 4.23Å |
| 77 | F | 82.2 | Confident | 77.1 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.009 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 115 | 177.6 | -177.7 | -93.2 | 0 | 0 | 0 | 112.7 | R46 A48 Y58 C71 A79 G82 | R46-F77 HydrophobicContact CB-CE1 4.46Å; R46-F77 HydrophobicContact CB-CE2 3.63Å; R46-F77 HydrophobicContact CB-CZ 3.37Å; R46-F77 HydrophobicContact CG-CE2 4.48Å; A48-F77 HydrophobicContact CB-CD1 4Å; Y58-F77 HydrophobicContact CD1-CB 3.87Å; Y58-F77 AromaticContact CD1-CD2 3.79Å; Y58-F77 HydrophobicContact CD1-CD2 3.79Å; Y58-F77 HydrophobicContact CD1-CG 4.02Å; Y58-F77 AromaticContact CD2-CD2 3.45Å; Y58-F77 HydrophobicContact CD2-CD2 3.45Å; Y58-F77 VanDerWaalsContact CD2-CD2 3.45Å; Y58-F77 AromaticContact CD2-CE2 3.63Å; Y58-F77 HydrophobicContact CD2-CE2 3.63Å; Y58-F77 AromaticContact CD2-CG 3.99Å; Y58-F77 HydrophobicContact CD2-CG 3.99Å; Y58-F77 HydrophobicContact CD2-CZ 4.29Å; Y58-F77 HydrophobicContact CE1-CD2 4.2Å; Y58-F77 AromaticContact CE2-CD2 3.89Å; Y58-F77 HydrophobicContact CE2-CD2 3.89Å; Y58-F77 AromaticContact CE2-CE2 3.95Å; Y58-F77 HydrophobicContact CE2-CE2 3.95Å; Y58-F77 HydrophobicContact CG-CB 3.82Å; Y58-F77 HydrophobicContact CG-CD1 4.31Å; Y58-F77 AromaticContact CG-CD2 3.41Å; Y58-F77 HydrophobicContact CG-CD2 3.41Å; Y58-F77 VanDerWaalsContact CG-CD2 3.41Å; Y58-F77 HydrophobicContact CG-CE2 4.07Å; Y58-F77 AromaticContact CG-CG 3.55Å; Y58-F77 HydrophobicContact CG-CG 3.55Å; C71-F77 PolarHBondContact SG-N 3.01Å; F77-A79 HydrophobicContact CD1-CB 4.48Å; F77-A79 HydrophobicContact CE1-CB 4.2Å; F77-A79 PolarHBondContact O-N 3.05Å; F77-G82 VanDerWaalsContact CE2-C 3.44Å; F77-G82 WeakPolarHBondContact CE2-O 3.31Å |
| 78 | D | 84.5 | Confident | 77.4 | Confident | 4 Ų | 4 | 46.9 Ų | 46.9 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 99.4 | 174.9 | -169.2 | -19 | 0 | 0 | 0 | 111.5 | I76 S80 Q81 G82 F83 Q85 V90 P91 | I76-D78 PolarHBondContact O-N 3.32Å; D78-S80 PolarHBondContact O-N 2.56Å; D78-S80 VanDerWaalsContact O-N 3.13Å; D78-S80 WeakPolarHBondContact OD1-CA 3.3Å; D78-S80 WeakPolarHBondContact OD1-CB 3.47Å; D78-S80 PolarHBondContact OD1-N 3.19Å; D78-S80 PolarHBondContact OD1-OG 2.77Å; D78-S80 PolarHBondContact OD2-OG 3.07Å; D78-Q81 HydrophobicContact CB-CB 4.28Å; D78-Q81 HydrophobicContact CB-CG 4.45Å; D78-Q81 PolarHBondContact O-N 2.58Å; D78-Q81 VanDerWaalsContact O-N 3.1Å; D78-Q81 PolarHBondContact OD1-N 2.95Å; D78-Q81 WeakPolarHBondContact OD2-CG 3.34Å; D78-G82 PolarHBondContact O-N 3.19Å; D78-F83 WeakPolarHBondContact CB-O 3.33Å; D78-F83 PolarHBondContact N-O 3.48Å; D78-Q85 PolarHBondContact OD2-NE2 2.89Å; D78-Q85 VanDerWaalsContact OD2-NE2 3.15Å; D78-V90 HydrophobicContact CB-CG1 4.05Å; D78-V90 HydrophobicContact CB-CG2 4.04Å; D78-P91 WeakPolarHBondContact OD2-CD 3.26Å |
| 79 | A | 78.1 | Confident | 77.2 | Confident | 60 Ų | 60 | 48.4 Ų | 48.4 | 50% | 0.496 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -14 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | A48 F77 | A48-A79 HydrophobicContact CB-CB 3.73Å; F77-A79 HydrophobicContact CD1-CB 4.48Å; F77-A79 HydrophobicContact CE1-CB 4.2Å; F77-A79 PolarHBondContact O-N 3.05Å |
| 80 | S | 78.6 | Confident | 77.4 | Confident | 74 Ų | 74 | 46.4 Ų | 46.4 | 52% | 0.517 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -26.2 | 173.8 | 82.9 | 0 | 0 | 0 | 0 | 113 | D78 | D78-S80 PolarHBondContact O-N 2.56Å; D78-S80 VanDerWaalsContact O-N 3.13Å; D78-S80 WeakPolarHBondContact OD1-CA 3.3Å; D78-S80 WeakPolarHBondContact OD1-CB 3.47Å; D78-S80 PolarHBondContact OD1-N 3.19Å; D78-S80 PolarHBondContact OD1-OG 2.77Å; D78-S80 PolarHBondContact OD2-OG 3.07Å |
| 81 | Q | 82.3 | Confident | 77 | Confident | 116 Ų | 116 | 45.9 Ų | 45.9 | 54% | 0.542 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | -25.2 | -178 | -57.2 | -53.6 | -65.7 | 0 | 0 | 114 | D78 F83 | D78-Q81 HydrophobicContact CB-CB 4.28Å; D78-Q81 HydrophobicContact CB-CG 4.45Å; D78-Q81 PolarHBondContact O-N 2.58Å; D78-Q81 VanDerWaalsContact O-N 3.1Å; D78-Q81 PolarHBondContact OD1-N 2.95Å; D78-Q81 WeakPolarHBondContact OD2-CG 3.34Å; Q81-F83 HydrophobicContact CB-CD1 3.66Å; Q81-F83 HydrophobicContact CB-CE1 3.43Å; Q81-F83 VanDerWaalsContact CB-CE1 3.43Å; Q81-F83 HydrophobicContact CB-CG 4.45Å; Q81-F83 HydrophobicContact CB-CZ 4.04Å; Q81-F83 HydrophobicContact CG-CE1 4.17Å; Q81-F83 HydrophobicContact CG-CZ 4.38Å |
| 82 | G | 85.5 | Confident | 76.3 | Confident | 28 Ų | 28 | 46.7 Ų | 46.7 | 29% | 0.289 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88 | 11.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | F77 D78 | F77-G82 VanDerWaalsContact CE2-C 3.44Å; F77-G82 WeakPolarHBondContact CE2-O 3.31Å; D78-G82 PolarHBondContact O-N 3.19Å |
| 83 | F | 87.4 | Confident | 76.4 | Confident | 105 Ų | 105 | 44.5 Ų | 44.5 | 46% | 0.461 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 161.6 | -179.1 | 62.7 | -94.8 | 0 | 0 | 0 | 112.8 | D78 Q81 Q85 | D78-F83 WeakPolarHBondContact CB-O 3.33Å; D78-F83 PolarHBondContact N-O 3.48Å; Q81-F83 HydrophobicContact CB-CD1 3.66Å; Q81-F83 HydrophobicContact CB-CE1 3.43Å; Q81-F83 VanDerWaalsContact CB-CE1 3.43Å; Q81-F83 HydrophobicContact CB-CG 4.45Å; Q81-F83 HydrophobicContact CB-CZ 4.04Å; Q81-F83 HydrophobicContact CG-CE1 4.17Å; Q81-F83 HydrophobicContact CG-CZ 4.38Å; F83-Q85 HydrophobicContact CD2-CG 3.73Å; F83-Q85 HydrophobicContact CE2-CG 3.43Å; F83-Q85 VanDerWaalsContact CE2-CG 3.43Å; F83-Q85 HydrophobicContact CZ-CG 4.47Å |
| 84 | C | 87.5 | Confident | 76.3 | Confident | 24 Ų | 24 | 46.1 Ų | 46.1 | 16% | 0.162 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 140.4 | 178.2 | -61.4 | 0 | 0 | 0 | 0 | 111.4 | C71 D75 I76 | C71-C84 WeakPolarHBondContact CA-SG 3.46Å; C71-C84 HydrophobicContact CB-CB 3.74Å; C71-C84 WeakPolarHBondContact CB-SG 3.25Å; C71-C84 WeakPolarHBondContact SG-CB 3.43Å; C71-C84 CovalentContact SG-SG 2.04Å; C71-C84 PolarHBondContact SG-SG 3.3Å; D75-C84 HydrophobicContact CB-CB 4.15Å; I76-C84 WeakPolarHBondContact O-CA 3.36Å |
| 85 | Q | 82.2 | Confident | 75.9 | Confident | 35 Ų | 35 | 46.6 Ų | 46.6 | 16% | 0.164 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 160.6 | 175.1 | -69.6 | -177.9 | 72.6 | 0 | 0 | 110.4 | D75 I76 D78 F83 N89 V90 | D75-Q85 WeakPolarHBondContact CA-O 3.22Å; D75-Q85 WeakPolarHBondContact CB-O 3.27Å; D75-Q85 VanDerWaalsContact OD2-CA 3.25Å; D75-Q85 WeakPolarHBondContact OD2-CA 3.39Å; I76-Q85 PolarHBondContact N-O 2.95Å; I76-Q85 PolarHBondContact O-N 2.89Å; I76-Q85 VanDerWaalsContact O-O 3.13Å; D78-Q85 PolarHBondContact OD2-NE2 2.89Å; D78-Q85 VanDerWaalsContact OD2-NE2 3.15Å; F83-Q85 HydrophobicContact CD2-CG 3.73Å; F83-Q85 HydrophobicContact CE2-CG 3.43Å; F83-Q85 VanDerWaalsContact CE2-CG 3.43Å; F83-Q85 HydrophobicContact CZ-CG 4.47Å; Q85-N89 HydrophobicContact CB-CB 4.23Å; Q85-V90 HydrophobicContact CB-CG2 3.99Å |
| 86 | P | 78.5 | Confident | 74.3 | Confident | 29 Ų | 29 | 50.6 Ų | 50.6 | 19% | 0.188 | 32% | 0.32 | C | S | . | . | trans | -53.8 | 143.3 | 171.6 | -27.3 | 34.9 | 0 | 0 | 0 | 111.6 | D75 S88 N89 I299 | D75-P86 VanDerWaalsContact CG-N 3.28Å; D75-P86 VanDerWaalsContact OD1-CA 3.31Å; D75-P86 WeakPolarHBondContact OD1-CA 3.18Å; D75-P86 WeakPolarHBondContact OD1-CG 3.12Å; D75-P86 VanDerWaalsContact OD2-CD 3.31Å; D75-P86 WeakPolarHBondContact OD2-CD 3.37Å; P86-S88 PolarHBondContact O-N 2.87Å; P86-N89 PolarHBondContact O-N 2.79Å; P86-I299 HydrophobicContact CG-CD1 3.98Å | ||
| 87 | A | 68.9 | Low | 72.5 | Confident | 30 Ų | 30 | 58.3 Ų | 58.3 | 25% | 0.248 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -25.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114 | I76 N89 C93 F99 | I76-A87 HydrophobicContact CG1-CB 3.67Å; A87-N89 PolarHBondContact O-N 3.48Å; A87-C93 WeakPolarHBondContact O-CB 3.49Å; A87-F99 HydrophobicContact CB-CE2 4.17Å |
| 88 | S | 75.1 | Confident | 70.6 | Confident | 85 Ų | 85 | 62.9 Ų | 62.9 | 59% | 0.594 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -19.6 | 174.3 | 57.4 | 0 | 0 | 0 | 0 | 115 | P86 V94 | P86-S88 PolarHBondContact O-N 2.87Å; S88-V94 WeakPolarHBondContact O-CG2 3.47Å |
| 89 | N | 76.5 | Confident | 69.2 | Low | 86 Ų | 86 | 64.1 Ų | 64.1 | 46% | 0.46 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | -25 | -171.4 | -60.5 | 3.3 | 0 | 0 | 0 | 112.3 | Q85 P86 A87 P91 | Q85-N89 HydrophobicContact CB-CB 4.23Å; P86-N89 PolarHBondContact O-N 2.79Å; A87-N89 PolarHBondContact O-N 3.48Å; N89-P91 WeakPolarHBondContact O-CD 3.48Å |
| 90 | V | 78.5 | Confident | 67.8 | Low | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 37% | 0.373 | C | S | . | . | trans | -72 | 119 | -178.6 | -180 | 0 | 0 | 0 | 0 | 110.6 | I76 D78 Q85 A92 C93 V94 | I76-V90 HydrophobicContact CB-CG2 3.95Å; I76-V90 HydrophobicContact CG2-CG1 4.28Å; I76-V90 HydrophobicContact CG2-CG2 4.23Å; D78-V90 HydrophobicContact CB-CG1 4.05Å; D78-V90 HydrophobicContact CB-CG2 4.04Å; Q85-V90 HydrophobicContact CB-CG2 3.99Å; V90-A92 HydrophobicContact CG1-CB 4.2Å; V90-A92 PolarHBondContact O-N 2.97Å; V90-C93 HydrophobicContact CB-CB 4.32Å; V90-C93 PolarHBondContact O-N 2.9Å; V90-V94 WeakPolarHBondContact O-CG2 3.18Å; V90-V94 PolarHBondContact O-N 2.93Å | ||
| 91 | P | 70.7 | Confident | 66.7 | Low | 77 Ų | 77 | 63.1 Ų | 63.1 | 50% | 0.5 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -20.5 | -177.7 | -25.3 | 35.9 | 0 | 0 | 0 | 114.8 | D78 N89 C93 | D78-P91 WeakPolarHBondContact OD2-CD 3.26Å; N89-P91 WeakPolarHBondContact O-CD 3.48Å; P91-C93 VanDerWaalsContact C-N 3.31Å |
| 92 | A | 63.3 | Low | 66 | Low | 25 Ų | 25 | 60.2 Ų | 60.2 | 21% | 0.207 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 4.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | N53 V90 Q96 | N53-A92 HydrophobicContact CB-CB 4.11Å; V90-A92 HydrophobicContact CG1-CB 4.2Å; V90-A92 PolarHBondContact O-N 2.97Å; A92-Q96 VanDerWaalsContact O-CB 3.26Å; A92-Q96 WeakPolarHBondContact O-CB 3.35Å |
| 93 | C | 67.9 | Low | 65.6 | Low | 6 Ų | 6 | 58.9 Ų | 58.9 | 4% | 0.041 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.4 | -38.3 | 166.2 | -62.2 | 0 | 0 | 0 | 0 | 110.8 | C54 A87 V90 P91 G95 Q96 | C54-C93 HydrophobicContact CB-CB 4.18Å; C54-C93 WeakPolarHBondContact CB-SG 3.36Å; C54-C93 WeakPolarHBondContact SG-CB 3.35Å; C54-C93 CovalentContact SG-SG 2.04Å; C54-C93 PolarHBondContact SG-SG 2.97Å; A87-C93 WeakPolarHBondContact O-CB 3.49Å; V90-C93 HydrophobicContact CB-CB 4.32Å; V90-C93 PolarHBondContact O-N 2.9Å; P91-C93 VanDerWaalsContact C-N 3.31Å; C93-G95 PolarHBondContact O-N 3.38Å; C93-Q96 CarbonylContact O-C 3.45Å; C93-Q96 PolarHBondContact O-N 3.07Å |
| 94 | V | 56.2 | Low | 64.8 | Low | 91 Ų | 91 | 56.5 Ų | 56.5 | 55% | 0.552 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -63 | 94.2 | 179.3 | 178.7 | 0 | 0 | 0 | 0 | 110.8 | S88 V90 | S88-V94 WeakPolarHBondContact O-CG2 3.47Å; V90-V94 WeakPolarHBondContact O-CG2 3.18Å; V90-V94 PolarHBondContact O-N 2.93Å |
| 95 | G | 52.6 | Low | 63.9 | Low | 70 Ų | 70 | 62.8 Ų | 62.8 | 72% | 0.722 | 38% | 0.375 | S | S | * | . | S | Bend | trans | 93.1 | -20.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | C93 R97 | C93-G95 PolarHBondContact O-N 3.38Å; G95-R97 VanDerWaalsContact C-N 3.33Å; G95-R97 PolarHBondContact O-N 2.99Å |
| 96 | Q | 43.5 | Very low | 63.5 | Low | 116 Ų | 116 | 64 Ų | 64 | 54% | 0.542 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -88.4 | 77.3 | 166.8 | -80.7 | -160.7 | -77.9 | 0 | 0 | 109.8 | A92 C93 | A92-Q96 VanDerWaalsContact O-CB 3.26Å; A92-Q96 WeakPolarHBondContact O-CB 3.35Å; C93-Q96 CarbonylContact O-C 3.45Å; C93-Q96 PolarHBondContact O-N 3.07Å |
| 97 | R | 42.6 | Very low | 63.4 | Low | 162 Ų | 162 | 69.3 Ų | 69.3 | 61% | 0.611 | 41% | 0.407 | S | S | * | . | trans | 64 | 107.4 | -170.1 | -49.7 | -173.1 | -170.3 | -93.7 | -1.6 | 112.9 | G95 F99 D102 | G95-R97 VanDerWaalsContact C-N 3.33Å; G95-R97 PolarHBondContact O-N 2.99Å; R97-F99 PolarHBondContact O-N 3.18Å; R97-D102 WeakPolarHBondContact CD-OD2 3.49Å; R97-D102 IonicContact CZ-OD1 2.81Å; R97-D102 IonicContact NH1-OD1 2.92Å; R97-D102 PolarHBondContact NH1-OD1 2.83Å | ||
| 98 | N | 41.4 | Very low | 64.1 | Low | 98 Ų | 98 | 71.3 Ų | 71.3 | 52% | 0.524 | 42% | 0.419 | S | S | . | . | trans | -52.9 | 127.6 | 138.8 | -77.6 | 3.1 | 0 | 0 | 0 | 107.1 | T100 A101 | N98-T100 PolarHBondContact O-N 3.44Å; N98-A101 HydrophobicContact CB-CB 3.92Å; N98-A101 WeakPolarHBondContact O-CA 3.46Å; N98-A101 VanDerWaalsContact O-CB 3.29Å; N98-A101 WeakPolarHBondContact O-CB 3.33Å; N98-A101 PolarHBondContact O-N 3.13Å | ||
| 99 | F | 55.1 | Low | 64.6 | Low | 29 Ų | 29 | 68.5 Ų | 68.5 | 13% | 0.127 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -59.4 | -26.5 | 160.1 | -64.1 | -67.1 | 0 | 0 | 0 | 110.4 | C54 A87 R97 A101 D102 C103 L123 G130 F132 | C54-F99 HydrophobicContact CB-CZ 4.45Å; C54-F99 VanDerWaalsContact SG-CZ 3.52Å; A87-F99 HydrophobicContact CB-CE2 4.17Å; R97-F99 PolarHBondContact O-N 3.18Å; F99-A101 PolarHBondContact O-N 3.04Å; F99-A101 VanDerWaalsContact O-N 3.11Å; F99-D102 PolarHBondContact O-N 2.91Å; F99-C103 VanDerWaalsContact O-CB 3.27Å; F99-C103 WeakPolarHBondContact O-CB 3.28Å; F99-C103 PolarHBondContact O-N 3.41Å; F99-C103 PolarHBondContact O-SG 3.19Å; F99-L123 HydrophobicContact CB-CD1 4.23Å; F99-L123 HydrophobicContact CD1-CD1 3.82Å; F99-L123 HydrophobicContact CG-CD1 4.25Å; F99-G130 WeakPolarHBondContact CB-O 3.06Å; F99-F132 HydrophobicContact CD1-CE2 4.48Å; F99-F132 HydrophobicContact CD1-CZ 4.36Å; F99-F132 HydrophobicContact CE1-CD2 4.45Å; F99-F132 HydrophobicContact CE1-CE1 4.48Å; F99-F132 AromaticContact CE1-CE2 3.52Å; F99-F132 HydrophobicContact CE1-CE2 3.52Å; F99-F132 AromaticContact CE1-CZ 3.52Å; F99-F132 HydrophobicContact CE1-CZ 3.52Å; F99-F132 HydrophobicContact CE2-CE2 4.27Å; F99-F132 HydrophobicContact CZ-CD2 4.18Å; F99-F132 AromaticContact CZ-CE2 3.39Å; F99-F132 HydrophobicContact CZ-CE2 3.39Å; F99-F132 AromaticContact CZ-CZ 3.92Å; F99-F132 HydrophobicContact CZ-CZ 3.92Å |
| 100 | T | 50.4 | Low | 65.2 | Low | 62 Ų | 62 | 66.7 Ų | 66.7 | 38% | 0.38 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -58.9 | -6.1 | 163.1 | -17 | 0 | 0 | 0 | 0 | 115.7 | N98 A104 G128 | N98-T100 PolarHBondContact O-N 3.44Å; T100-A104 WeakPolarHBondContact O-CA 3.49Å; T100-A104 VanDerWaalsContact O-CB 3.27Å; T100-A104 WeakPolarHBondContact O-CB 3.26Å; T100-A104 PolarHBondContact O-N 2.93Å; T100-G128 CarbonylContact C-O 3.58Å; T100-G128 VanDerWaalsContact CA-O 3.23Å; T100-G128 WeakPolarHBondContact CA-O 3.3Å; T100-G128 VanDerWaalsContact CG2-O 3.32Å; T100-G128 WeakPolarHBondContact CG2-O 3.42Å |
| 101 | A | 55.5 | Low | 65.3 | Low | 52 Ų | 52 | 69.7 Ų | 69.7 | 43% | 0.43 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -105.6 | -40.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | N98 F99 C103 A104 | N98-A101 HydrophobicContact CB-CB 3.92Å; N98-A101 WeakPolarHBondContact O-CA 3.46Å; N98-A101 VanDerWaalsContact O-CB 3.29Å; N98-A101 WeakPolarHBondContact O-CB 3.33Å; N98-A101 PolarHBondContact O-N 3.13Å; F99-A101 PolarHBondContact O-N 3.04Å; F99-A101 VanDerWaalsContact O-N 3.11Å; A101-C103 VanDerWaalsContact C-N 3.27Å; A101-A104 WeakPolarHBondContact O-CB 3.5Å; A101-A104 PolarHBondContact O-N 2.97Å |
| 102 | D | 65.9 | Low | 65.6 | Low | 55 Ų | 55 | 67 Ų | 67 | 29% | 0.294 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.2 | -38.7 | 168 | -59.8 | -36.6 | 0 | 0 | 0 | 109.6 | R97 F99 L106 L123 | R97-D102 WeakPolarHBondContact CD-OD2 3.49Å; R97-D102 IonicContact CZ-OD1 2.81Å; R97-D102 IonicContact NH1-OD1 2.92Å; R97-D102 PolarHBondContact NH1-OD1 2.83Å; F99-D102 PolarHBondContact O-N 2.91Å; D102-L106 VanDerWaalsContact O-CD1 3.3Å; D102-L106 WeakPolarHBondContact O-CD1 3.49Å; D102-L106 WeakPolarHBondContact O-CG 3.43Å; D102-L123 HydrophobicContact CB-CD2 4.27Å |
| 103 | C | 78.3 | Confident | 65.5 | Low | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -80.4 | -10.7 | 171.2 | -64.2 | 0 | 0 | 0 | 0 | 115.3 | F99 A101 N105 L106 C125 G128 G130 | F99-C103 VanDerWaalsContact O-CB 3.27Å; F99-C103 WeakPolarHBondContact O-CB 3.28Å; F99-C103 PolarHBondContact O-N 3.41Å; F99-C103 PolarHBondContact O-SG 3.19Å; A101-C103 VanDerWaalsContact C-N 3.27Å; C103-N105 PolarHBondContact O-N 2.86Å; C103-L106 PolarHBondContact O-N 3.28Å; C103-C125 HydrophobicContact CB-CB 3.7Å; C103-C125 WeakPolarHBondContact CB-SG 3.42Å; C103-C125 VanDerWaalsContact SG-CA 3.53Å; C103-C125 WeakPolarHBondContact SG-CB 3.34Å; C103-C125 CovalentContact SG-SG 2.03Å; C103-C125 PolarHBondContact SG-SG 2.95Å; C103-G128 CarbonylContact C-O 3.53Å; C103-G128 VanDerWaalsContact CB-O 3.25Å; C103-G128 WeakPolarHBondContact CB-O 3.42Å; C103-G128 WeakPolarHBondContact O-CA 3.4Å; C103-G130 WeakPolarHBondContact SG-CA 3.49Å |
| 104 | A | 70.2 | Confident | 64.9 | Low | 54 Ų | 54 | 72.1 Ų | 72.1 | 45% | 0.446 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -30.7 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | T100 A101 | T100-A104 WeakPolarHBondContact O-CA 3.49Å; T100-A104 VanDerWaalsContact O-CB 3.27Å; T100-A104 WeakPolarHBondContact O-CB 3.26Å; T100-A104 PolarHBondContact O-N 2.93Å; A101-A104 WeakPolarHBondContact O-CB 3.5Å; A101-A104 PolarHBondContact O-N 2.97Å |
| 105 | N | 68.1 | Low | 64.8 | Low | 157 Ų | 157 | 71.8 Ų | 71.8 | 84% | 0.84 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.9 | 13.3 | -178.7 | -54.3 | -82 | 0 | 0 | 0 | 111.7 | C103 | C103-N105 PolarHBondContact O-N 2.86Š|
| 106 | L | 74.4 | Confident | 64.8 | Low | 61 Ų | 61 | 74.7 Ų | 74.7 | 32% | 0.319 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -102.9 | 136.6 | 175.5 | -62.8 | -179.2 | 0 | 0 | 0 | 109.2 | D102 C103 Y111 | D102-L106 VanDerWaalsContact O-CD1 3.3Å; D102-L106 WeakPolarHBondContact O-CD1 3.49Å; D102-L106 WeakPolarHBondContact O-CG 3.43Å; C103-L106 PolarHBondContact O-N 3.28Å; L106-Y111 HydrophobicContact CB-CE1 4.43Å; L106-Y111 HydrophobicContact CB-CE2 3.96Å; L106-Y111 HydrophobicContact CD1-CD1 3.95Å; L106-Y111 HydrophobicContact CD1-CD2 3.9Å; L106-Y111 HydrophobicContact CD1-CE1 4.01Å; L106-Y111 HydrophobicContact CD1-CE2 3.98Å; L106-Y111 HydrophobicContact CD1-CG 3.89Å; L106-Y111 HydrophobicContact CD2-CD1 4.49Å; L106-Y111 HydrophobicContact CD2-CE1 3.96Å; L106-Y111 HydrophobicContact CG-CE1 4.36Å; L106-Y111 HydrophobicContact CG-CE2 4.48Å |
| 107 | I | 76 | Confident | 65.3 | Low | 140 Ų | 140 | 70.5 Ų | 70.5 | 72% | 0.718 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 157.7 | 167.5 | 57.7 | 176.3 | 0 | 0 | 0 | 109.9 | G109 Y111 | I107-G109 PolarHBondContact O-N 3.24Å; I107-Y111 WeakPolarHBondContact CG1-OH 3.45Å; I107-Y111 WeakPolarHBondContact O-CE2 3.27Å; I107-Y111 PolarHBondContact O-OH 2.75Å |
| 108 | S | 84.9 | Confident | 66.5 | Low | 71 Ų | 71 | 63.7 Ų | 63.7 | 50% | 0.497 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -55.1 | 134.2 | 175.3 | -55.6 | 0 | 0 | 0 | 0 | 110.7 | C125 G127 | S108-C125 CarbonylContact C-O 3.6Å; S108-C125 WeakPolarHBondContact CA-O 3.4Å; S108-G127 PolarHBondContact OG-N 2.81Å |
| 109 | G | 85.2 | Confident | 67.8 | Low | 26 Ų | 26 | 60.7 Ų | 60.7 | 27% | 0.268 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 155.9 | 176.4 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I107 Y111 C125 | I107-G109 PolarHBondContact O-N 3.24Å; G109-Y111 WeakPolarHBondContact O-CD2 3.31Å; G109-Y111 VanDerWaalsContact O-CE2 3.32Å; G109-Y111 WeakPolarHBondContact O-CE2 3.48Å; G109-C125 PolarHBondContact N-O 2.89Å; G109-C125 PolarHBondContact O-N 2.87Å |
| 110 | N | 88.4 | Confident | 68.6 | Low | 49 Ų | 49 | 61 Ų | 61 | 26% | 0.262 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 140.6 | -178.3 | -51.7 | -39.7 | 0 | 0 | 0 | 110.6 | F122 F141 G146 | N110-F122 HydrophobicContact CB-CD2 3.65Å; N110-F122 HydrophobicContact CB-CE2 3.8Å; N110-F122 VanDerWaalsContact CG-CE2 3.45Å; N110-F122 WeakPolarHBondContact OD1-CE2 3.43Å; N110-F141 HydrophobicContact CB-CE2 3.59Å; N110-F141 HydrophobicContact CB-CZ 3.85Å; N110-G146 WeakPolarHBondContact CB-O 3.23Å; N110-G146 PolarHBondContact ND2-O 2.93Å |
| 111 | Y | 80.7 | Confident | 69.6 | Low | 62 Ų | 62 | 60.4 Ų | 60.4 | 24% | 0.243 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 148.3 | -174.4 | -59.4 | -89.3 | 0 | 0 | 0 | 111.3 | L106 I107 G109 L123 C125 F141 | L106-Y111 HydrophobicContact CB-CE1 4.43Å; L106-Y111 HydrophobicContact CB-CE2 3.96Å; L106-Y111 HydrophobicContact CD1-CD1 3.95Å; L106-Y111 HydrophobicContact CD1-CD2 3.9Å; L106-Y111 HydrophobicContact CD1-CE1 4.01Å; L106-Y111 HydrophobicContact CD1-CE2 3.98Å; L106-Y111 HydrophobicContact CD1-CG 3.89Å; L106-Y111 HydrophobicContact CD2-CD1 4.49Å; L106-Y111 HydrophobicContact CD2-CE1 3.96Å; L106-Y111 HydrophobicContact CG-CE1 4.36Å; L106-Y111 HydrophobicContact CG-CE2 4.48Å; I107-Y111 WeakPolarHBondContact CG1-OH 3.45Å; I107-Y111 WeakPolarHBondContact O-CE2 3.27Å; I107-Y111 PolarHBondContact O-OH 2.75Å; G109-Y111 WeakPolarHBondContact O-CD2 3.31Å; G109-Y111 VanDerWaalsContact O-CE2 3.32Å; G109-Y111 WeakPolarHBondContact O-CE2 3.48Å; Y111-L123 PolarHBondContact N-O 2.95Å; Y111-L123 PolarHBondContact O-N 2.98Å; Y111-C125 HydrophobicContact CD2-CB 4.07Å; Y111-C125 VanDerWaalsContact CD2-SG 3.5Å; Y111-C125 HydrophobicContact CE2-CB 3.84Å; Y111-F141 VanDerWaalsContact C-CE1 3.48Å |
| 112 | S | 76.8 | Confident | 70.8 | Confident | 22 Ų | 22 | 58.8 Ų | 58.8 | 15% | 0.154 | 33% | 0.332 | C | S | . | . | trans | -79.6 | 144.2 | 171.8 | -173.4 | 0 | 0 | 0 | 0 | 110.6 | N114 F141 | S112-N114 PolarHBondContact O-N 2.94Å; S112-N114 VanDerWaalsContact OG-C 3.3Å; S112-N114 PolarHBondContact OG-N 3.32Å; S112-N114 VanDerWaalsContact OG-N 3.11Å; S112-N114 PolarHBondContact OG-O 2.81Å; S112-F141 VanDerWaalsContact N-CE1 3.28Å | ||
| 113 | L | 60.9 | Low | 71.6 | Confident | 66 Ų | 66 | 56.6 Ų | 56.6 | 35% | 0.346 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -63.9 | -30.1 | 165.9 | -74.9 | -175.3 | 0 | 0 | 0 | 113.1 | F121 F132 | L113-F121 HydrophobicContact CD1-CD2 4.49Å; L113-F121 HydrophobicContact CD1-CE2 3.98Å; L113-F132 HydrophobicContact CD1-CE1 3.52Å; L113-F132 HydrophobicContact CD1-CZ 3.64Å; L113-F132 HydrophobicContact CD2-CE1 3.6Å; L113-F132 HydrophobicContact CD2-CZ 3.8Å; L113-F132 HydrophobicContact CG-CE1 3.66Å; L113-F132 HydrophobicContact CG-CZ 4.1Å |
| 114 | N | 55.8 | Low | 71.9 | Confident | 72 Ų | 72 | 59.2 Ų | 59.2 | 39% | 0.385 | 33% | 0.333 | S | S | . | . | trans | -150.7 | 117.8 | -177.7 | 173.9 | 27.8 | 0 | 0 | 0 | 109.1 | S112 D116 S117 | S112-N114 PolarHBondContact O-N 2.94Å; S112-N114 VanDerWaalsContact OG-C 3.3Å; S112-N114 PolarHBondContact OG-N 3.32Å; S112-N114 VanDerWaalsContact OG-N 3.11Å; S112-N114 PolarHBondContact OG-O 2.81Å; N114-D116 PolarHBondContact O-N 3.44Å; N114-D116 PolarHBondContact OD1-N 3.46Å; N114-S117 WeakPolarHBondContact CB-OG 3.5Å; N114-S117 WeakPolarHBondContact ND2-CB 3.37Å; N114-S117 PolarHBondContact ND2-OG 3.2Å; N114-S117 PolarHBondContact O-N 3.02Å; N114-S117 PolarHBondContact O-OG 2.95Å | ||
| 115 | N | 54 | Low | 72.6 | Confident | 84 Ų | 84 | 56.7 Ų | 56.7 | 45% | 0.449 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -15.5 | -177.8 | -69.5 | -38 | 0 | 0 | 0 | 113.5 | A156 | N115-A156 WeakPolarHBondContact O-CB 3.45Š|
| 116 | D | 52.8 | Low | 73.1 | Confident | 130 Ų | 130 | 53.7 Ų | 53.7 | 70% | 0.695 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | 9.6 | -173.9 | -52.1 | -27.4 | 0 | 0 | 0 | 112.4 | N114 | N114-D116 PolarHBondContact O-N 3.44Å; N114-D116 PolarHBondContact OD1-N 3.46Å |
| 117 | S | 53 | Low | 73.2 | Confident | 29 Ų | 29 | 54.4 Ų | 54.4 | 20% | 0.203 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -130.2 | 129.7 | -179.6 | 55.4 | 0 | 0 | 0 | 0 | 113.6 | N114 L119 | N114-S117 WeakPolarHBondContact CB-OG 3.5Å; N114-S117 WeakPolarHBondContact ND2-CB 3.37Å; N114-S117 PolarHBondContact ND2-OG 3.2Å; N114-S117 PolarHBondContact O-N 3.02Å; N114-S117 PolarHBondContact O-OG 2.95Å; S117-L119 PolarHBondContact O-N 2.94Å; S117-L119 VanDerWaalsContact O-N 3.09Å; S117-L119 WeakPolarHBondContact OG-CD1 3.43Å; S117-L119 WeakPolarHBondContact OG-CG 3.35Å |
| 118 | C | 68.1 | Low | 73.1 | Confident | 19 Ų | 19 | 48.3 Ų | 48.3 | 13% | 0.128 | 29% | 0.29 | C | S | . | . | trans | -65.5 | 96.4 | 166.6 | -161.4 | 0 | 0 | 0 | 0 | 110.3 | F140 C157 | C118-F140 HydrophobicContact CB-CD1 4.22Å; C118-F140 WeakPolarHBondContact SG-CD1 3.46Å; C118-C157 HydrophobicContact CB-CB 3.8Å; C118-C157 WeakPolarHBondContact CB-SG 3.43Å; C118-C157 WeakPolarHBondContact SG-CB 3.42Å; C118-C157 CovalentContact SG-SG 2.03Å; C118-C157 PolarHBondContact SG-SG 3.49Å | ||
| 119 | L | 70.3 | Confident | 72.6 | Confident | 35 Ų | 35 | 47.5 Ų | 47.5 | 18% | 0.183 | 28% | 0.284 | C | S | . | . | trans | -117.3 | 138.9 | 179.9 | -61.6 | 177.8 | 0 | 0 | 0 | 111.5 | S117 F121 F140 F141 | S117-L119 PolarHBondContact O-N 2.94Å; S117-L119 VanDerWaalsContact O-N 3.09Å; S117-L119 WeakPolarHBondContact OG-CD1 3.43Å; S117-L119 WeakPolarHBondContact OG-CG 3.35Å; L119-F121 HydrophobicContact CB-CD1 4.31Å; L119-F121 HydrophobicContact CB-CE1 4.22Å; L119-F121 HydrophobicContact CB-CZ 4.43Å; L119-F121 HydrophobicContact CD1-CE2 4.04Å; L119-F121 HydrophobicContact CD1-CZ 4.01Å; L119-F121 HydrophobicContact CD2-CE1 3.96Å; L119-F121 HydrophobicContact CD2-CZ 3.89Å; L119-F121 HydrophobicContact CG-CE1 4.48Å; L119-F121 HydrophobicContact CG-CZ 4.33Å; L119-F121 PolarHBondContact O-N 2.96Å; L119-F140 VanDerWaalsContact C-CD1 3.49Å; L119-F140 WeakPolarHBondContact O-CA 3.35Å; L119-F141 PolarHBondContact O-N 3.05Å | ||
| 120 | S | 71.2 | Confident | 72.1 | Confident | 36 Ų | 36 | 46.6 Ų | 46.6 | 25% | 0.252 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -81.3 | 16.1 | 172.7 | 52.3 | 0 | 0 | 0 | 0 | 113.5 | T134 C135 Q139 | S120-T134 WeakPolarHBondContact O-CG2 3.21Å; S120-C135 PolarHBondContact O-N 2.88Å; S120-Q139 WeakPolarHBondContact CA-O 3.37Å; S120-Q139 WeakPolarHBondContact CB-O 3.06Å |
| 121 | F | 72 | Confident | 71.4 | Confident | 48 Ų | 48 | 47.4 Ų | 47.4 | 21% | 0.211 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 151.6 | -177.7 | 57 | -87.6 | 0 | 0 | 0 | 112 | L113 L119 Q133 | L113-F121 HydrophobicContact CD1-CD2 4.49Å; L113-F121 HydrophobicContact CD1-CE2 3.98Å; L119-F121 HydrophobicContact CB-CD1 4.31Å; L119-F121 HydrophobicContact CB-CE1 4.22Å; L119-F121 HydrophobicContact CB-CZ 4.43Å; L119-F121 HydrophobicContact CD1-CE2 4.04Å; L119-F121 HydrophobicContact CD1-CZ 4.01Å; L119-F121 HydrophobicContact CD2-CE1 3.96Å; L119-F121 HydrophobicContact CD2-CZ 3.89Å; L119-F121 HydrophobicContact CG-CE1 4.48Å; L119-F121 HydrophobicContact CG-CZ 4.33Å; L119-F121 PolarHBondContact O-N 2.96Å; F121-Q133 CarbonylContact C-O 3.55Å; F121-Q133 WeakPolarHBondContact CA-O 3.22Å; F121-Q133 VanDerWaalsContact CB-O 3.32Å; F121-Q133 WeakPolarHBondContact CB-O 3.18Å |
| 122 | F | 79.3 | Confident | 71.2 | Confident | 19 Ų | 19 | 45.3 Ų | 45.3 | 8% | 0.083 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 163.7 | -170.2 | 63.9 | -90 | 0 | 0 | 0 | 113.2 | N110 Q124 F132 Q133 F141 | N110-F122 HydrophobicContact CB-CD2 3.65Å; N110-F122 HydrophobicContact CB-CE2 3.8Å; N110-F122 VanDerWaalsContact CG-CE2 3.45Å; N110-F122 WeakPolarHBondContact OD1-CE2 3.43Å; F122-Q124 HydrophobicContact CD2-CB 4.48Å; F122-Q124 HydrophobicContact CE2-CB 4.17Å; F122-F132 WeakPolarHBondContact O-CA 3.47Å; F122-Q133 HydrophobicContact CD1-CB 4.15Å; F122-Q133 HydrophobicContact CD2-CB 4.04Å; F122-Q133 HydrophobicContact CE1-CB 3.67Å; F122-Q133 HydrophobicContact CE2-CB 3.56Å; F122-Q133 HydrophobicContact CE2-CG 3.91Å; F122-Q133 HydrophobicContact CG-CB 4.33Å; F122-Q133 HydrophobicContact CZ-CB 3.36Å; F122-Q133 HydrophobicContact CZ-CG 4Å; F122-Q133 PolarHBondContact N-O 2.94Å; F122-Q133 PolarHBondContact O-N 3.47Å; F122-F141 HydrophobicContact CB-CB 3.96Å; F122-F141 HydrophobicContact CB-CD1 4Å; F122-F141 HydrophobicContact CB-CD2 3.35Å; F122-F141 HydrophobicContact CB-CE1 4.36Å; F122-F141 HydrophobicContact CB-CE2 3.76Å; F122-F141 HydrophobicContact CB-CG 3.46Å; F122-F141 VanDerWaalsContact CB-CG 3.46Å; F122-F141 HydrophobicContact CB-CZ 4.24Å; F122-F141 HydrophobicContact CD1-CB 4.44Å; F122-F141 AromaticContact CD1-CD2 3.65Å; F122-F141 HydrophobicContact CD1-CD2 3.65Å; F122-F141 HydrophobicContact CD1-CE2 4.32Å; F122-F141 HydrophobicContact CD1-CG 4.32Å; F122-F141 HydrophobicContact CD2-CD2 4.23Å; F122-F141 HydrophobicContact CD2-CE2 4.12Å; F122-F141 HydrophobicContact CE1-CD2 4.47Å; F122-F141 AromaticContact CG-CD2 3.5Å; F122-F141 HydrophobicContact CG-CD2 3.5Å; F122-F141 VanDerWaalsContact CG-CD2 3.5Å; F122-F141 AromaticContact CG-CE2 3.83Å; F122-F141 HydrophobicContact CG-CE2 3.83Å; F122-F141 HydrophobicContact CG-CG 4.12Å |
| 123 | L | 82.8 | Confident | 70.8 | Confident | 8 Ų | 8 | 46.6 Ų | 46.6 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 109.2 | 176.6 | -176.2 | 68.8 | 0 | 0 | 0 | 109.6 | F99 D102 Y111 F132 | F99-L123 HydrophobicContact CB-CD1 4.23Å; F99-L123 HydrophobicContact CD1-CD1 3.82Å; F99-L123 HydrophobicContact CG-CD1 4.25Å; D102-L123 HydrophobicContact CB-CD2 4.27Å; Y111-L123 PolarHBondContact N-O 2.95Å; Y111-L123 PolarHBondContact O-N 2.98Å; L123-F132 HydrophobicContact CB-CE1 4.45Å; L123-F132 HydrophobicContact CD1-CD1 4.38Å; L123-F132 HydrophobicContact CD1-CE1 4.2Å |
| 124 | Q | 84.4 | Confident | 71.5 | Confident | 56 Ų | 56 | 48.5 Ų | 48.5 | 26% | 0.262 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 111 | 172.4 | -177.7 | 175 | 45.9 | 0 | 0 | 109.5 | F122 G130 V131 Q133 | F122-Q124 HydrophobicContact CD2-CB 4.48Å; F122-Q124 HydrophobicContact CE2-CB 4.17Å; Q124-G130 CarbonylContact O-C 3.19Å; Q124-G130 WeakPolarHBondContact O-CA 3.38Å; Q124-V131 PolarHBondContact N-O 2.73Å; Q124-V131 PolarHBondContact O-N 2.88Å; Q124-Q133 HydrophobicContact CB-CG 3.9Å |
| 125 | C | 86 | Confident | 72.7 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 134.3 | 171.5 | -61.3 | 0 | 0 | 0 | 0 | 110.7 | C103 S108 G109 Y111 S129 | C103-C125 HydrophobicContact CB-CB 3.7Å; C103-C125 WeakPolarHBondContact CB-SG 3.42Å; C103-C125 VanDerWaalsContact SG-CA 3.53Å; C103-C125 WeakPolarHBondContact SG-CB 3.34Å; C103-C125 CovalentContact SG-SG 2.03Å; C103-C125 PolarHBondContact SG-SG 2.95Å; S108-C125 CarbonylContact C-O 3.6Å; S108-C125 WeakPolarHBondContact CA-O 3.4Å; G109-C125 PolarHBondContact N-O 2.89Å; G109-C125 PolarHBondContact O-N 2.87Å; Y111-C125 HydrophobicContact CD2-CB 4.07Å; Y111-C125 VanDerWaalsContact CD2-SG 3.5Å; Y111-C125 HydrophobicContact CE2-CB 3.84Å; C125-S129 CarbonylContact C-O 3.58Å; C125-S129 WeakPolarHBondContact CA-O 3.32Å |
| 126 | N | 78.9 | Confident | 73.5 | Confident | 94 Ų | 94 | 45.1 Ų | 45.1 | 50% | 0.503 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 118 | 171.4 | -83.4 | -44 | 0 | 0 | 0 | 109.5 | G128 S129 | N126-G128 PolarHBondContact O-N 2.99Å; N126-G128 VanDerWaalsContact O-N 3.15Å; N126-S129 PolarHBondContact N-O 2.91Å; N126-S129 PolarHBondContact O-N 2.96Å |
| 127 | G | 75.7 | Confident | 73.7 | Confident | 76 Ų | 76 | 45.5 Ų | 45.5 | 78% | 0.784 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 30.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | S108 | S108-G127 PolarHBondContact OG-N 2.81Š|
| 128 | G | 73.4 | Confident | 74.1 | Confident | 13 Ų | 13 | 47 Ų | 47 | 13% | 0.134 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.7 | -2.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | T100 C103 N126 | T100-G128 CarbonylContact C-O 3.58Å; T100-G128 VanDerWaalsContact CA-O 3.23Å; T100-G128 WeakPolarHBondContact CA-O 3.3Å; T100-G128 VanDerWaalsContact CG2-O 3.32Å; T100-G128 WeakPolarHBondContact CG2-O 3.42Å; C103-G128 CarbonylContact C-O 3.53Å; C103-G128 VanDerWaalsContact CB-O 3.25Å; C103-G128 WeakPolarHBondContact CB-O 3.42Å; C103-G128 WeakPolarHBondContact O-CA 3.4Å; N126-G128 PolarHBondContact O-N 2.99Å; N126-G128 VanDerWaalsContact O-N 3.15Å |
| 129 | S | 74.5 | Confident | 74.6 | Confident | 53 Ų | 53 | 49 Ų | 49 | 37% | 0.371 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 135.5 | 178 | -164.7 | 0 | 0 | 0 | 0 | 113 | C125 N126 | C125-S129 CarbonylContact C-O 3.58Å; C125-S129 WeakPolarHBondContact CA-O 3.32Å; N126-S129 PolarHBondContact N-O 2.91Å; N126-S129 PolarHBondContact O-N 2.96Å |
| 130 | G | 76.3 | Confident | 75 | Confident | 8 Ų | 8 | 48.7 Ų | 48.7 | 8% | 0.082 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 145.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | F99 C103 Q124 | F99-G130 WeakPolarHBondContact CB-O 3.06Å; C103-G130 WeakPolarHBondContact SG-CA 3.49Å; Q124-G130 CarbonylContact O-C 3.19Å; Q124-G130 WeakPolarHBondContact O-CA 3.38Å |
| 131 | V | 73.2 | Confident | 75.4 | Confident | 65 Ų | 65 | 47.1 Ų | 47.1 | 39% | 0.394 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 148.1 | 173.9 | -175.7 | 0 | 0 | 0 | 0 | 109.1 | Q124 | Q124-V131 PolarHBondContact N-O 2.73Å; Q124-V131 PolarHBondContact O-N 2.88Å |
| 132 | F | 75.3 | Confident | 75.9 | Confident | 18 Ų | 18 | 45 Ų | 45 | 8% | 0.079 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 141.2 | 172.9 | -79.5 | -50.9 | 0 | 0 | 0 | 112.6 | T74 F99 L113 F122 L123 | T74-F132 WeakPolarHBondContact CG2-O 3.36Å; F99-F132 HydrophobicContact CD1-CE2 4.48Å; F99-F132 HydrophobicContact CD1-CZ 4.36Å; F99-F132 HydrophobicContact CE1-CD2 4.45Å; F99-F132 HydrophobicContact CE1-CE1 4.48Å; F99-F132 AromaticContact CE1-CE2 3.52Å; F99-F132 HydrophobicContact CE1-CE2 3.52Å; F99-F132 AromaticContact CE1-CZ 3.52Å; F99-F132 HydrophobicContact CE1-CZ 3.52Å; F99-F132 HydrophobicContact CE2-CE2 4.27Å; F99-F132 HydrophobicContact CZ-CD2 4.18Å; F99-F132 AromaticContact CZ-CE2 3.39Å; F99-F132 HydrophobicContact CZ-CE2 3.39Å; F99-F132 AromaticContact CZ-CZ 3.92Å; F99-F132 HydrophobicContact CZ-CZ 3.92Å; L113-F132 HydrophobicContact CD1-CE1 3.52Å; L113-F132 HydrophobicContact CD1-CZ 3.64Å; L113-F132 HydrophobicContact CD2-CE1 3.6Å; L113-F132 HydrophobicContact CD2-CZ 3.8Å; L113-F132 HydrophobicContact CG-CE1 3.66Å; L113-F132 HydrophobicContact CG-CZ 4.1Å; F122-F132 WeakPolarHBondContact O-CA 3.47Å; L123-F132 HydrophobicContact CB-CE1 4.45Å; L123-F132 HydrophobicContact CD1-CD1 4.38Å; L123-F132 HydrophobicContact CD1-CE1 4.2Å |
| 133 | Q | 68.8 | Low | 75.7 | Confident | 49 Ų | 49 | 46.1 Ų | 46.1 | 23% | 0.229 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 145.8 | 174.3 | -64.5 | -67.3 | 7 | 0 | 0 | 110.2 | F121 F122 Q124 | F121-Q133 CarbonylContact C-O 3.55Å; F121-Q133 WeakPolarHBondContact CA-O 3.22Å; F121-Q133 VanDerWaalsContact CB-O 3.32Å; F121-Q133 WeakPolarHBondContact CB-O 3.18Å; F122-Q133 HydrophobicContact CD1-CB 4.15Å; F122-Q133 HydrophobicContact CD2-CB 4.04Å; F122-Q133 HydrophobicContact CE1-CB 3.67Å; F122-Q133 HydrophobicContact CE2-CB 3.56Å; F122-Q133 HydrophobicContact CE2-CG 3.91Å; F122-Q133 HydrophobicContact CG-CB 4.33Å; F122-Q133 HydrophobicContact CZ-CB 3.36Å; F122-Q133 HydrophobicContact CZ-CG 4Å; F122-Q133 PolarHBondContact N-O 2.94Å; F122-Q133 PolarHBondContact O-N 3.47Å; Q124-Q133 HydrophobicContact CB-CG 3.9Å |
| 134 | T | 76.9 | Confident | 75 | Confident | 106 Ų | 106 | 52.5 Ų | 52.5 | 65% | 0.65 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 144.5 | 170.2 | -55.3 | 0 | 0 | 0 | 0 | 109 | S120 | S120-T134 WeakPolarHBondContact O-CG2 3.21Å |
| 135 | C | 79.5 | Confident | 74.7 | Confident | 6 Ų | 6 | 54.4 Ų | 54.4 | 4% | 0.041 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -72.5 | 132 | 173.5 | -83.3 | 0 | 0 | 0 | 0 | 111.1 | S120 Q139 C148 | S120-C135 PolarHBondContact O-N 2.88Å; C135-Q139 HydrophobicContact CB-CB 4.14Å; C135-Q139 WeakPolarHBondContact CB-O 3.46Å; C135-C148 WeakPolarHBondContact CA-SG 3.43Å; C135-C148 HydrophobicContact CB-CB 3.73Å; C135-C148 WeakPolarHBondContact CB-SG 3.36Å; C135-C148 WeakPolarHBondContact SG-CB 3.05Å; C135-C148 CovalentContact SG-SG 2.04Å; C135-C148 PolarHBondContact SG-SG 3.24Å |
| 136 | P | 71.3 | Confident | 74.6 | Confident | 79 Ų | 79 | 55.6 Ų | 55.6 | 51% | 0.513 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -65.3 | 162 | 176 | 28.7 | -35.1 | 0 | 0 | 0 | 111.3 | G138 Q139 | P136-G138 PolarHBondContact O-N 3.25Å; P136-G138 VanDerWaalsContact O-N 3.08Å; P136-Q139 WeakPolarHBondContact O-CB 3.3Å; P136-Q139 WeakPolarHBondContact O-CG 3.38Å; P136-Q139 PolarHBondContact O-N 3.3Å; P136-Q139 VanDerWaalsContact O-N 3.1Å |
| 137 | N | 57.1 | Low | 74.9 | Confident | 139 Ų | 139 | 53.5 Ų | 53.5 | 74% | 0.743 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | 55.9 | 25.9 | 175.5 | -56.1 | -24.2 | 0 | 0 | 0 | 114.7 | Q139 | N137-Q139 HydrophobicContact CB-CG 4.38Å; N137-Q139 PolarHBondContact O-N 3.24Å |
| 138 | G | 62.1 | Low | 75.4 | Confident | 60 Ų | 60 | 51 Ų | 51 | 62% | 0.619 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | 66.4 | 15.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | P136 | P136-G138 PolarHBondContact O-N 3.25Å; P136-G138 VanDerWaalsContact O-N 3.08Å |
| 139 | Q | 77.9 | Confident | 75.8 | Confident | 61 Ų | 61 | 50.8 Ų | 50.8 | 29% | 0.285 | 30% | 0.304 | S | S | . | . | trans | -68.4 | 167.8 | 179.7 | -67.1 | 179.9 | 15.2 | 0 | 0 | 112.1 | S120 C135 P136 N137 C148 | S120-Q139 WeakPolarHBondContact CA-O 3.37Å; S120-Q139 WeakPolarHBondContact CB-O 3.06Å; C135-Q139 HydrophobicContact CB-CB 4.14Å; C135-Q139 WeakPolarHBondContact CB-O 3.46Å; P136-Q139 WeakPolarHBondContact O-CB 3.3Å; P136-Q139 WeakPolarHBondContact O-CG 3.38Å; P136-Q139 PolarHBondContact O-N 3.3Å; P136-Q139 VanDerWaalsContact O-N 3.1Å; N137-Q139 HydrophobicContact CB-CG 4.38Å; N137-Q139 PolarHBondContact O-N 3.24Å; Q139-C148 HydrophobicContact CB-CB 3.96Å | ||
| 140 | F | 79.4 | Confident | 75.5 | Confident | 28 Ų | 28 | 50.7 Ų | 50.7 | 12% | 0.123 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 148.7 | 176.5 | -70.3 | -95.5 | 0 | 0 | 0 | 110.1 | C118 L119 C148 S149 P151 I154 | C118-F140 HydrophobicContact CB-CD1 4.22Å; C118-F140 WeakPolarHBondContact SG-CD1 3.46Å; L119-F140 VanDerWaalsContact C-CD1 3.49Å; L119-F140 WeakPolarHBondContact O-CA 3.35Å; F140-C148 CarbonylContact O-C 3.5Å; F140-C148 WeakPolarHBondContact O-CA 3.28Å; F140-S149 PolarHBondContact N-O 3.17Å; F140-S149 PolarHBondContact O-N 3.36Å; F140-P151 HydrophobicContact CD2-CB 3.98Å; F140-P151 HydrophobicContact CD2-CG 4.14Å; F140-P151 HydrophobicContact CE2-CB 4.47Å; F140-P151 HydrophobicContact CE2-CG 4.4Å; F140-P151 HydrophobicContact CG-CB 4.48Å; F140-I154 HydrophobicContact CB-CD1 3.57Å; F140-I154 VanDerWaalsContact O-CD1 3.28Å; F140-I154 WeakPolarHBondContact O-CD1 3.37Å |
| 141 | F | 79.2 | Confident | 74.7 | Confident | 3 Ų | 3 | 51.2 Ų | 51.2 | 1% | 0.013 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 128.2 | -179.4 | -178.2 | -99.3 | 0 | 0 | 0 | 111.1 | N110 Y111 S112 L119 F122 P143 N147 | N110-F141 HydrophobicContact CB-CE2 3.59Å; N110-F141 HydrophobicContact CB-CZ 3.85Å; Y111-F141 VanDerWaalsContact C-CE1 3.48Å; S112-F141 VanDerWaalsContact N-CE1 3.28Å; L119-F141 PolarHBondContact O-N 3.05Å; F122-F141 HydrophobicContact CB-CB 3.96Å; F122-F141 HydrophobicContact CB-CD1 4Å; F122-F141 HydrophobicContact CB-CD2 3.35Å; F122-F141 HydrophobicContact CB-CE1 4.36Å; F122-F141 HydrophobicContact CB-CE2 3.76Å; F122-F141 HydrophobicContact CB-CG 3.46Å; F122-F141 VanDerWaalsContact CB-CG 3.46Å; F122-F141 HydrophobicContact CB-CZ 4.24Å; F122-F141 HydrophobicContact CD1-CB 4.44Å; F122-F141 AromaticContact CD1-CD2 3.65Å; F122-F141 HydrophobicContact CD1-CD2 3.65Å; F122-F141 HydrophobicContact CD1-CE2 4.32Å; F122-F141 HydrophobicContact CD1-CG 4.32Å; F122-F141 HydrophobicContact CD2-CD2 4.23Å; F122-F141 HydrophobicContact CD2-CE2 4.12Å; F122-F141 HydrophobicContact CE1-CD2 4.47Å; F122-F141 AromaticContact CG-CD2 3.5Å; F122-F141 HydrophobicContact CG-CD2 3.5Å; F122-F141 VanDerWaalsContact CG-CD2 3.5Å; F122-F141 AromaticContact CG-CE2 3.83Å; F122-F141 HydrophobicContact CG-CE2 3.83Å; F122-F141 HydrophobicContact CG-CG 4.12Å; F141-P143 HydrophobicContact CE1-CB 4.41Å; F141-P143 VanDerWaalsContact O-CD 3.23Å; F141-P143 WeakPolarHBondContact O-CD 3.33Å; F141-N147 VanDerWaalsContact CD2-O 3.3Å; F141-N147 WeakPolarHBondContact CD2-O 3.34Å |
| 142 | N | 82.8 | Confident | 74.1 | Confident | 5 Ų | 5 | 53.3 Ų | 53.3 | 3% | 0.027 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 102.3 | -180 | -166.1 | -24.6 | 0 | 0 | 0 | 111 | M144 L145 G146 N147 N153 I154 | N142-M144 PolarHBondContact O-N 3.45Å; N142-M144 VanDerWaalsContact O-N 3.12Å; N142-M144 WeakPolarHBondContact OD1-CB 3.38Å; N142-M144 PolarHBondContact OD1-N 3.47Å; N142-M144 VanDerWaalsContact OD1-N 3.08Å; N142-L145 HydrophobicContact CB-CB 4.24Å; N142-L145 WeakPolarHBondContact ND2-CD1 3.33Å; N142-L145 PolarHBondContact O-N 2.03Å; N142-L145 VanDerWaalsContact O-N 3.17Å; N142-G146 PolarHBondContact O-N 3.12Å; N142-N147 WeakPolarHBondContact CB-O 3.05Å; N142-N147 PolarHBondContact N-O 2.9Å; N142-N153 PolarHBondContact ND2-O 2.86Å; N142-N153 VanDerWaalsContact ND2-O 3.17Å; N142-I154 HydrophobicContact CB-CD1 4.15Å; N142-I154 HydrophobicContact CB-CG1 3.83Å |
| 143 | P | 74.3 | Confident | 73.4 | Confident | 42 Ų | 42 | 57.7 Ų | 57.7 | 27% | 0.273 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -10.7 | -179.5 | 29.7 | -36.3 | 0 | 0 | 0 | 113.9 | F141 | F141-P143 HydrophobicContact CE1-CB 4.41Å; F141-P143 VanDerWaalsContact O-CD 3.23Å; F141-P143 WeakPolarHBondContact O-CD 3.33Å |
| 144 | M | 69.2 | Low | 73.4 | Confident | 141 Ų | 141 | 55.4 Ų | 55.4 | 70% | 0.695 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -26.5 | 175.6 | -60.9 | -65.1 | -69.5 | 0 | 0 | 112.6 | N142 | N142-M144 PolarHBondContact O-N 3.45Å; N142-M144 VanDerWaalsContact O-N 3.12Å; N142-M144 WeakPolarHBondContact OD1-CB 3.38Å; N142-M144 PolarHBondContact OD1-N 3.47Å; N142-M144 VanDerWaalsContact OD1-N 3.08Å |
| 145 | L | 77 | Confident | 72.7 | Confident | 97 Ų | 97 | 56.3 Ų | 56.3 | 51% | 0.508 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | -20.2 | -177.1 | -66.2 | -179.7 | 0 | 0 | 0 | 114 | N142 N147 W1485 | N142-L145 HydrophobicContact CB-CB 4.24Å; N142-L145 WeakPolarHBondContact ND2-CD1 3.33Å; N142-L145 PolarHBondContact O-N 2.03Å; N142-L145 VanDerWaalsContact O-N 3.17Å; L145-N147 VanDerWaalsContact C-N 3.28Å; L145-N147 WeakPolarHBondContact CB-OD1 3.25Å; L145-N147 PolarHBondContact O-N 2.97Å; L145-W1485 HydrophobicContact CD1-CH2 3.92Å; L145-W1485 HydrophobicContact CD1-CZ2 3.67Å |
| 146 | G | 84 | Confident | 71.7 | Confident | 24 Ų | 24 | 57.1 Ų | 57.1 | 25% | 0.247 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | 17.3 | -174 | 0 | 0 | 0 | 0 | 0 | 113.9 | N110 N142 | N110-G146 WeakPolarHBondContact CB-O 3.23Å; N110-G146 PolarHBondContact ND2-O 2.93Å; N142-G146 PolarHBondContact O-N 3.12Å |
| 147 | N | 85.6 | Confident | 71.2 | Confident | 50 Ų | 50 | 55.1 Ų | 55.1 | 27% | 0.267 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 178.8 | -179.2 | 71.2 | 2.5 | 0 | 0 | 0 | 111.4 | F141 N142 L145 S149 | F141-N147 VanDerWaalsContact CD2-O 3.3Å; F141-N147 WeakPolarHBondContact CD2-O 3.34Å; N142-N147 WeakPolarHBondContact CB-O 3.05Å; N142-N147 PolarHBondContact N-O 2.9Å; L145-N147 VanDerWaalsContact C-N 3.28Å; L145-N147 WeakPolarHBondContact CB-OD1 3.25Å; L145-N147 PolarHBondContact O-N 2.97Å; N147-S149 PolarHBondContact OD1-OG 2.85Å |
| 148 | C | 85.8 | Confident | 71.3 | Confident | 23 Ų | 23 | 51.2 Ų | 51.2 | 16% | 0.155 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 150.4 | 166.9 | -59 | 0 | 0 | 0 | 0 | 110.2 | C135 Q139 F140 | C135-C148 WeakPolarHBondContact CA-SG 3.43Å; C135-C148 HydrophobicContact CB-CB 3.73Å; C135-C148 WeakPolarHBondContact CB-SG 3.36Å; C135-C148 WeakPolarHBondContact SG-CB 3.05Å; C135-C148 CovalentContact SG-SG 2.04Å; C135-C148 PolarHBondContact SG-SG 3.24Å; Q139-C148 HydrophobicContact CB-CB 3.96Å; F140-C148 CarbonylContact O-C 3.5Å; F140-C148 WeakPolarHBondContact O-CA 3.28Å |
| 149 | S | 81.7 | Confident | 70.1 | Confident | 10 Ų | 10 | 53.8 Ų | 53.8 | 7% | 0.07 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 166.4 | -178.3 | -70.4 | 0 | 0 | 0 | 0 | 111.4 | F140 N147 | F140-S149 PolarHBondContact N-O 3.17Å; F140-S149 PolarHBondContact O-N 3.36Å; N147-S149 PolarHBondContact OD1-OG 2.85Å |
| 150 | S | 68.8 | Low | 67.9 | Low | 51 Ų | 51 | 55.4 Ų | 55.4 | 36% | 0.357 | 31% | 0.313 | S | S | . | . | trans | -61 | 142.5 | 165.7 | -149.3 | 0 | 0 | 0 | 0 | 110.5 | E152 N153 | S150-E152 VanDerWaalsContact C-N 3.26Å; S150-E152 WeakPolarHBondContact CB-OE2 3.21Å; S150-E152 PolarHBondContact O-N 3.19Å; S150-E152 PolarHBondContact OG-OE2 2.89Å; S150-N153 PolarHBondContact O-N 2.99Å; S150-N153 VanDerWaalsContact O-N 3.13Å | ||
| 151 | P | 59.2 | Low | 65.5 | Low | 18 Ų | 18 | 57.9 Ų | 57.9 | 12% | 0.117 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -60.8 | -29.4 | -176.4 | 23.1 | -32.8 | 0 | 0 | 0 | 113.8 | F140 N153 I154 C157 V168 | F140-P151 HydrophobicContact CD2-CB 3.98Å; F140-P151 HydrophobicContact CD2-CG 4.14Å; F140-P151 HydrophobicContact CE2-CB 4.47Å; F140-P151 HydrophobicContact CE2-CG 4.4Å; F140-P151 HydrophobicContact CG-CB 4.48Å; P151-N153 PolarHBondContact O-N 2.85Å; P151-I154 PolarHBondContact O-N 3.45Å; P151-I154 VanDerWaalsContact O-N 3.13Å; P151-C157 HydrophobicContact CB-CB 3.93Å; P151-C157 WeakPolarHBondContact O-CB 3.4Å; P151-V168 HydrophobicContact CB-CG1 4.08Å; P151-V168 HydrophobicContact CG-CG1 3.92Å; P151-V168 HydrophobicContact CG-CG2 4.49Å |
| 152 | E | 59.6 | Low | 63.2 | Low | 110 Ų | 110 | 63.3 Ų | 63.3 | 51% | 0.514 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -59.8 | -33.2 | 177.6 | -55.7 | 75.3 | -160.6 | 0 | 0 | 112 | S150 I154 S158 V168 | S150-E152 VanDerWaalsContact C-N 3.26Å; S150-E152 WeakPolarHBondContact CB-OE2 3.21Å; S150-E152 PolarHBondContact O-N 3.19Å; S150-E152 PolarHBondContact OG-OE2 2.89Å; E152-I154 VanDerWaalsContact C-N 3.26Å; E152-I154 PolarHBondContact O-N 2.85Å; E152-S158 PolarHBondContact O-OG 2.86Å; E152-V168 HydrophobicContact CG-CG2 4.49Å |
| 153 | N | 61.3 | Low | 60.6 | Low | 109 Ų | 109 | 66.3 Ų | 66.3 | 58% | 0.583 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -84.6 | 7.9 | -177.9 | -65.5 | -20.1 | 0 | 0 | 0 | 113.6 | N142 S150 P151 | N142-N153 PolarHBondContact ND2-O 2.86Å; N142-N153 VanDerWaalsContact ND2-O 3.17Å; S150-N153 PolarHBondContact O-N 2.99Å; S150-N153 VanDerWaalsContact O-N 3.13Å; P151-N153 PolarHBondContact O-N 2.85Å |
| 154 | I | 68.8 | Low | 58.3 | Low | 1 Ų | 1 | 70.9 Ų | 70.9 | 1% | 0.005 | 44% | 0.439 | C | S | . | . | trans | -123.7 | 107.3 | -174.7 | -59.4 | 169.5 | 0 | 0 | 0 | 108.6 | F140 N142 P151 E152 A156 C157 S158 | F140-I154 HydrophobicContact CB-CD1 3.57Å; F140-I154 VanDerWaalsContact O-CD1 3.28Å; F140-I154 WeakPolarHBondContact O-CD1 3.37Å; N142-I154 HydrophobicContact CB-CD1 4.15Å; N142-I154 HydrophobicContact CB-CG1 3.83Å; P151-I154 PolarHBondContact O-N 3.45Å; P151-I154 VanDerWaalsContact O-N 3.13Å; E152-I154 VanDerWaalsContact C-N 3.26Å; E152-I154 PolarHBondContact O-N 2.85Å; I154-A156 HydrophobicContact CG2-CB 4.18Å; I154-A156 PolarHBondContact O-N 3.21Å; I154-C157 HydrophobicContact CB-CB 4.3Å; I154-C157 WeakPolarHBondContact O-CA 3.3Å; I154-C157 VanDerWaalsContact O-CB 3.28Å; I154-C157 WeakPolarHBondContact O-CB 3.44Å; I154-C157 PolarHBondContact O-N 2.86Å; I154-S158 PolarHBondContact O-N 2.9Å; I154-S158 PolarHBondContact O-OG 3.4Å | ||
| 155 | Q | 62.4 | Low | 56.4 | Low | 125 Ų | 125 | 72.2 Ų | 72.2 | 58% | 0.584 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -56.4 | -27 | -175.4 | -163.8 | -179.9 | 26.1 | 0 | 0 | 114.1 | C157 S158 N159 | Q155-C157 VanDerWaalsContact C-N 3.28Å; Q155-C157 PolarHBondContact O-N 3.43Å; Q155-S158 PolarHBondContact O-N 2.86Å; Q155-N159 WeakPolarHBondContact O-CB 3.46Å; Q155-N159 PolarHBondContact O-N 2.61Å; Q155-N159 PolarHBondContact O-ND2 2.62Å |
| 156 | A | 58.5 | Low | 54.1 | Low | 24 Ų | 24 | 73 Ų | 73 | 20% | 0.198 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -70.2 | -19.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | N115 I154 | N115-A156 WeakPolarHBondContact O-CB 3.45Å; I154-A156 HydrophobicContact CG2-CB 4.18Å; I154-A156 PolarHBondContact O-N 3.21Å |
| 157 | C | 61 | Low | 51.4 | Low | 36 Ų | 36 | 77 Ų | 77 | 24% | 0.243 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -90.1 | -30.3 | 167.6 | -50.4 | 0 | 0 | 0 | 0 | 111.3 | C118 P151 I154 Q155 | C118-C157 HydrophobicContact CB-CB 3.8Å; C118-C157 WeakPolarHBondContact CB-SG 3.43Å; C118-C157 WeakPolarHBondContact SG-CB 3.42Å; C118-C157 CovalentContact SG-SG 2.03Å; C118-C157 PolarHBondContact SG-SG 3.49Å; P151-C157 HydrophobicContact CB-CB 3.93Å; P151-C157 WeakPolarHBondContact O-CB 3.4Å; I154-C157 HydrophobicContact CB-CB 4.3Å; I154-C157 WeakPolarHBondContact O-CA 3.3Å; I154-C157 VanDerWaalsContact O-CB 3.28Å; I154-C157 WeakPolarHBondContact O-CB 3.44Å; I154-C157 PolarHBondContact O-N 2.86Å; Q155-C157 VanDerWaalsContact C-N 3.28Å; Q155-C157 PolarHBondContact O-N 3.43Å |
| 158 | S | 58.3 | Low | 48.7 | Very low | 58 Ų | 58 | 77 Ų | 77 | 41% | 0.406 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -83.2 | -17.8 | -176.9 | -30.1 | 0 | 0 | 0 | 0 | 115.4 | E152 I154 Q155 V160 | E152-S158 PolarHBondContact O-OG 2.86Å; I154-S158 PolarHBondContact O-N 2.9Å; I154-S158 PolarHBondContact O-OG 3.4Å; Q155-S158 PolarHBondContact O-N 2.86Å; S158-V160 VanDerWaalsContact C-N 3.32Å; S158-V160 PolarHBondContact O-N 2.74Å |
| 159 | N | 37.9 | Very low | 45.9 | Very low | 114 Ų | 114 | 81 Ų | 81 | 61% | 0.61 | 49% | 0.493 | S | S | * | . | trans | -74 | 74.9 | -173.2 | -85.7 | -14.7 | 0 | 0 | 0 | 113.7 | Q155 G161 | Q155-N159 WeakPolarHBondContact O-CB 3.46Å; Q155-N159 PolarHBondContact O-N 2.61Å; Q155-N159 PolarHBondContact O-ND2 2.62Å; N159-G161 PolarHBondContact O-N 3.36Å; N159-G161 VanDerWaalsContact O-N 3.11Å | ||
| 160 | V | 31.6 | Very low | 43.6 | Very low | 95 Ų | 95 | 82 Ų | 82 | 58% | 0.576 | 50% | 0.499 | S | S | * | . | trans | -71.6 | 99.1 | 176.6 | 176.3 | 0 | 0 | 0 | 0 | 111.4 | S158 S162 T166 | S158-V160 VanDerWaalsContact C-N 3.32Å; S158-V160 PolarHBondContact O-N 2.74Å; V160-S162 PolarHBondContact O-N 2.96Å; V160-T166 HydrophobicContact CG2-CG2 4.32Å | ||
| 161 | G | 29.5 | Very low | 42.4 | Very low | 80 Ų | 80 | 83.6 Ų | 83.6 | 83% | 0.825 | 52% | 0.515 | S | S | * | . | trans | -94.8 | 32.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | N159 | N159-G161 PolarHBondContact O-N 3.36Å; N159-G161 VanDerWaalsContact O-N 3.11Å | ||
| 162 | S | 29.1 | Very low | 41.9 | Very low | 117 Ų | 117 | 87.6 Ų | 87.6 | 82% | 0.818 | 53% | 0.532 | S | S | * | . | S | Bend | trans | 173.1 | 88.6 | 154.8 | 172.6 | 0 | 0 | 0 | 0 | 114.1 | V160 | V160-S162 PolarHBondContact O-N 2.96Š|
| 163 | G | 28.3 | Very low | 41.8 | Very low | 68 Ų | 68 | 82.6 Ų | 82.6 | 70% | 0.701 | 51% | 0.509 | S | S | * | . | S | Bend | trans | 94.7 | 94.3 | 145.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||
| 164 | N | 26.5 | Very low | 41.8 | Very low | 137 Ų | 137 | 81.7 Ų | 81.7 | 73% | 0.733 | 50% | 0.503 | S | S | * | . | S | Bend | trans | 69.4 | 130 | 154.4 | -139 | 71.5 | 0 | 0 | 0 | 119 | ||
| 165 | E | 28.8 | Very low | 42.1 | Very low | 170 Ų | 170 | 81.7 Ų | 81.7 | 79% | 0.794 | 50% | 0.504 | S | S | * | . | trans | 65 | 126.7 | 176.6 | -72.8 | 156.9 | -134.7 | 0 | 0 | 115.5 | ||||
| 166 | T | 29 | Very low | 42.4 | Very low | 112 Ų | 112 | 80.5 Ų | 80.5 | 69% | 0.687 | 51% | 0.505 | S | S | * | . | trans | -120.7 | 122.2 | -164 | 47.3 | 0 | 0 | 0 | 0 | 112.5 | V160 | V160-T166 HydrophobicContact CG2-CG2 4.32Š| ||
| 167 | T | 28.6 | Very low | 43.1 | Very low | 109 Ų | 109 | 83.6 Ų | 83.6 | 67% | 0.669 | 54% | 0.539 | S | S | * | . | trans | -148.1 | 152.6 | 157.4 | -32.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 168 | V | 28.6 | Very low | 43.9 | Very low | 50 Ų | 50 | 85.7 Ų | 85.7 | 30% | 0.303 | 54% | 0.542 | S | S | . | . | trans | -60.3 | 137.9 | -169.3 | -178.6 | 0 | 0 | 0 | 0 | 112.1 | P151 E152 P170 | P151-V168 HydrophobicContact CB-CG1 4.08Å; P151-V168 HydrophobicContact CG-CG1 3.92Å; P151-V168 HydrophobicContact CG-CG2 4.49Å; E152-V168 HydrophobicContact CG-CG2 4.49Å; V168-P170 WeakPolarHBondContact O-CD 3.32Å | ||
| 169 | I | 26.9 | Very low | 44.9 | Very low | 108 Ų | 108 | 88.9 Ų | 88.9 | 55% | 0.554 | 56% | 0.555 | S | S | * | * | trans | -109.8 | 102.2 | 170.6 | -53.6 | 174.9 | 0 | 0 | 0 | 108.9 | A171 | I169-A171 PolarHBondContact O-N 3.03Š| ||
| 170 | P | 33.7 | Very low | 47 | Very low | 31 Ų | 31 | 87.8 Ų | 87.8 | 20% | 0.201 | 55% | 0.549 | C | S | . | . | trans | -62.3 | 130.4 | 163.1 | -18.3 | 32 | 0 | 0 | 0 | 109.1 | V168 E172 F173 | V168-P170 WeakPolarHBondContact O-CD 3.32Å; P170-E172 PolarHBondContact O-N 2.97Å; P170-F173 PolarHBondContact O-N 2.9Å | ||
| 171 | A | 41.9 | Very low | 49.4 | Very low | 83 Ų | 83 | 84.6 Ų | 84.6 | 69% | 0.686 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -2.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115 | I169 | I169-A171 PolarHBondContact O-N 3.03Š|
| 172 | E | 48.9 | Very low | 51.9 | Low | 102 Ų | 102 | 81.7 Ų | 81.7 | 48% | 0.477 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -17.1 | -176.4 | -53.2 | -149 | 119.9 | 0 | 0 | 114.4 | R68 P170 | R68-E172 IonicContact NH1-OE1 3.91Å; R68-E172 PolarHBondContact NH1-OE1 2.94Å; P170-E172 PolarHBondContact O-N 2.97Å |
| 173 | F | 58.7 | Low | 54.2 | Low | 6 Ų | 6 | 78.8 Ų | 78.8 | 3% | 0.026 | 48% | 0.475 | C | S | . | . | trans | -141.4 | 106.9 | 178.9 | -163.9 | -103.9 | 0 | 0 | 0 | 114 | P170 C175 R178 Y183 P185 Y195 A202 | P170-F173 PolarHBondContact O-N 2.9Å; F173-C175 VanDerWaalsContact CE1-SG 3.58Å; F173-R178 VanDerWaalsContact CZ-CZ 3.49Å; F173-Y183 HydrophobicContact CZ-CD2 4.42Å; F173-Y183 HydrophobicContact CZ-CG 4.01Å; F173-P185 HydrophobicContact CD2-CB 4.04Å; F173-P185 HydrophobicContact CD2-CG 4.06Å; F173-Y195 HydrophobicContact CB-CD1 4.06Å; F173-Y195 HydrophobicContact CB-CD2 3.77Å; F173-Y195 HydrophobicContact CB-CE1 4.11Å; F173-Y195 HydrophobicContact CB-CE2 3.82Å; F173-Y195 HydrophobicContact CB-CG 3.89Å; F173-Y195 HydrophobicContact CD1-CD1 4.21Å; F173-Y195 HydrophobicContact CD1-CD2 4.02Å; F173-Y195 AromaticContact CD1-CG 3.63Å; F173-Y195 HydrophobicContact CD1-CG 3.63Å; F173-Y195 HydrophobicContact CD2-CD2 4.33Å; F173-Y195 HydrophobicContact CE1-CG 4.42Å; F173-Y195 HydrophobicContact CG-CD1 4.41Å; F173-Y195 AromaticContact CG-CD2 3.75Å; F173-Y195 HydrophobicContact CG-CD2 3.75Å; F173-Y195 HydrophobicContact CG-CE2 4.28Å; F173-Y195 AromaticContact CG-CG 3.82Å; F173-Y195 HydrophobicContact CG-CG 3.82Å; F173-A202 HydrophobicContact CD1-CB 4.06Å; F173-A202 WeakPolarHBondContact O-CB 3.34Å | ||
| 174 | N | 60.6 | Low | 56.5 | Low | 89 Ų | 89 | 76.2 Ų | 76.2 | 48% | 0.476 | 45% | 0.445 | S | S | . | . | trans | -100.1 | 117.5 | -178.2 | -170.7 | -15.9 | 0 | 0 | 0 | 111.4 | T176 R178 | N174-T176 PolarHBondContact ND2-OG1 2.88Å; N174-T176 WeakPolarHBondContact OD1-CB 3.49Å; N174-T176 WeakPolarHBondContact OD1-CG2 3.48Å; N174-T176 PolarHBondContact OD1-N 3.45Å; N174-T176 PolarHBondContact OD1-OG1 2.97Å; N174-R178 PolarHBondContact O-NE 3.03Å; N174-R178 VanDerWaalsContact O-NE 3.13Å | ||
| 175 | C | 76.1 | Confident | 58 | Low | 2 Ų | 2 | 70.9 Ų | 70.9 | 1% | 0.014 | 42% | 0.418 | C | S | . | . | trans | -86.8 | -6.5 | 177.1 | -76.2 | 0 | 0 | 0 | 0 | 114.3 | F173 G177 R178 C197 G200 | F173-C175 VanDerWaalsContact CE1-SG 3.58Å; C175-G177 PolarHBondContact O-N 3.34Å; C175-R178 WeakPolarHBondContact O-CB 3.31Å; C175-R178 PolarHBondContact O-N 3.18Å; C175-C197 HydrophobicContact CB-CB 3.75Å; C175-C197 WeakPolarHBondContact CB-SG 3.32Å; C175-C197 WeakPolarHBondContact SG-CA 3.39Å; C175-C197 WeakPolarHBondContact SG-CB 3.26Å; C175-C197 CovalentContact SG-SG 2.03Å; C175-C197 PolarHBondContact SG-SG 2.88Å; C175-G200 VanDerWaalsContact CB-C 3.49Å; C175-G200 VanDerWaalsContact CB-O 3.22Å; C175-G200 WeakPolarHBondContact CB-O 3.48Å | ||
| 176 | T | 66.9 | Low | 58.9 | Low | 99 Ų | 99 | 65 Ų | 65 | 61% | 0.607 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 122.4 | 179.4 | 61.1 | 0 | 0 | 0 | 0 | 111.4 | N174 R178 | N174-T176 PolarHBondContact ND2-OG1 2.88Å; N174-T176 WeakPolarHBondContact OD1-CB 3.49Å; N174-T176 WeakPolarHBondContact OD1-CG2 3.48Å; N174-T176 PolarHBondContact OD1-N 3.45Å; N174-T176 PolarHBondContact OD1-OG1 2.97Å; T176-R178 VanDerWaalsContact C-N 3.29Å; T176-R178 PolarHBondContact O-N 3.22Å |
| 177 | G | 74.1 | Confident | 59.7 | Low | 89 Ų | 89 | 63.4 Ų | 63.4 | 92% | 0.918 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | 8.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | C175 | C175-G177 PolarHBondContact O-N 3.34Š|
| 178 | R | 77.3 | Confident | 60.9 | Low | 81 Ų | 81 | 60.2 Ų | 60.2 | 31% | 0.306 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -88 | 161.4 | 158 | -57 | -174 | -177 | -115.5 | -8.8 | 109.1 | K32 F173 N174 C175 T176 Y183 | K32-R178 PolarHBondContact O-NH2 3.4Å; F173-R178 VanDerWaalsContact CZ-CZ 3.49Å; N174-R178 PolarHBondContact O-NE 3.03Å; N174-R178 VanDerWaalsContact O-NE 3.13Å; C175-R178 WeakPolarHBondContact O-CB 3.31Å; C175-R178 PolarHBondContact O-N 3.18Å; T176-R178 VanDerWaalsContact C-N 3.29Å; T176-R178 PolarHBondContact O-N 3.22Å; R178-Y183 HydrophobicContact CB-CE2 4.02Å |
| 179 | D | 79.7 | Confident | 62.4 | Low | 125 Ų | 125 | 61.8 Ų | 61.8 | 67% | 0.668 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -80.5 | 170.3 | 166.1 | -68.8 | -54.3 | 0 | 0 | 0 | 109.2 | Y183 | D179-Y183 PolarHBondContact N-OH 2.62Å; D179-Y183 WeakPolarHBondContact O-CE2 3.37Å; D179-Y183 PolarHBondContact O-OH 2.98Å |
| 180 | D | 82.2 | Confident | 64.3 | Low | 90 Ų | 90 | 57.5 Ų | 57.5 | 48% | 0.481 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -73.4 | 133.3 | 174.3 | -74 | 1.1 | 0 | 0 | 0 | 110.8 | C197 N199 | D180-C197 CarbonylContact C-O 3.59Å; D180-C197 VanDerWaalsContact CA-O 3.31Å; D180-C197 WeakPolarHBondContact CA-O 3.36Å; D180-N199 VanDerWaalsContact CG-N 3.28Å; D180-N199 WeakPolarHBondContact OD1-CA 3.46Å; D180-N199 PolarHBondContact OD1-N 2.93Å; D180-N199 PolarHBondContact OD2-N 3.22Å |
| 181 | G | 82.3 | Confident | 66.3 | Low | 28 Ų | 28 | 57.2 Ų | 57.2 | 29% | 0.289 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 151.8 | 174.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y183 C197 | G181-Y183 WeakPolarHBondContact O-CD2 3.29Å; G181-Y183 WeakPolarHBondContact O-CE2 3.47Å; G181-C197 PolarHBondContact N-O 3.02Å; G181-C197 WeakPolarHBondContact O-CB 3.42Å; G181-C197 PolarHBondContact O-N 3.17Å |
| 182 | A | 82.6 | Confident | 67.9 | Low | 20 Ų | 20 | 53.8 Ų | 53.8 | 17% | 0.165 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 140 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y194 N196 F213 G218 | A182-Y194 HydrophobicContact CB-CD2 3.78Å; A182-Y194 HydrophobicContact CB-CE2 3.73Å; A182-N196 WeakPolarHBondContact CB-OD1 3.26Å; A182-F213 HydrophobicContact CB-CE2 3.47Å; A182-F213 VanDerWaalsContact CB-CE2 3.47Å; A182-F213 HydrophobicContact CB-CZ 3.52Å; A182-G218 WeakPolarHBondContact CB-O 3.43Å |
| 183 | Y | 77.1 | Confident | 69.2 | Low | 55 Ų | 55 | 49 Ų | 49 | 22% | 0.216 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 160.8 | -178.7 | -63.9 | -84.7 | 0 | 0 | 0 | 111.4 | F173 R178 D179 G181 Y195 C197 | F173-Y183 HydrophobicContact CZ-CD2 4.42Å; F173-Y183 HydrophobicContact CZ-CG 4.01Å; R178-Y183 HydrophobicContact CB-CE2 4.02Å; D179-Y183 PolarHBondContact N-OH 2.62Å; D179-Y183 WeakPolarHBondContact O-CE2 3.37Å; D179-Y183 PolarHBondContact O-OH 2.98Å; G181-Y183 WeakPolarHBondContact O-CD2 3.29Å; G181-Y183 WeakPolarHBondContact O-CE2 3.47Å; Y183-Y195 PolarHBondContact N-O 2.84Å; Y183-Y195 PolarHBondContact O-N 2.78Å; Y183-Y195 VanDerWaalsContact O-O 3.11Å; Y183-C197 HydrophobicContact CD2-CB 3.98Å; Y183-C197 WeakPolarHBondContact CD2-SG 3.37Å; Y183-C197 HydrophobicContact CE2-CB 3.88Å |
| 184 | Q | 75.3 | Confident | 70.2 | Confident | 15 Ų | 15 | 50.5 Ų | 50.5 | 7% | 0.07 | 30% | 0.296 | C | S | . | . | trans | -135.2 | 133 | 175.1 | -173.3 | 173.6 | 59.1 | 0 | 0 | 109 | L188 L191 A193 F213 | Q184-L188 HydrophobicContact CG-CB 3.66Å; Q184-L188 PolarHBondContact NE2-O 3.33Å; Q184-L188 PolarHBondContact OE1-O 2.98Å; Q184-L191 PolarHBondContact NE2-O 3.19Å; Q184-A193 PolarHBondContact NE2-O 2.93Å; Q184-F213 HydrophobicContact CB-CD1 3.56Å; Q184-F213 HydrophobicContact CB-CE1 3.91Å; Q184-F213 HydrophobicContact CG-CD1 4.35Å; Q184-F213 PolarHBondContact OE1-O 2.94Å | ||
| 185 | P | 57.9 | Low | 71.3 | Confident | 25 Ų | 25 | 46.9 Ų | 46.9 | 16% | 0.162 | 28% | 0.276 | C | S | . | . | trans | -67.6 | 145.5 | 167.9 | 24 | -28.4 | 0 | 0 | 0 | 110.2 | F173 Q187 L188 Y195 | F173-P185 HydrophobicContact CD2-CB 4.04Å; F173-P185 HydrophobicContact CD2-CG 4.06Å; P185-Q187 PolarHBondContact O-N 2.91Å; P185-L188 HydrophobicContact CG-CB 4.49Å; P185-L188 HydrophobicContact CG-CD1 3.85Å; P185-L188 HydrophobicContact CG-CG 4.06Å; P185-L188 PolarHBondContact O-N 3.5Å; P185-Y195 HydrophobicContact CG-CD2 4.29Å; P185-Y195 HydrophobicContact CG-CE2 4Å | ||
| 186 | A | 48.7 | Very low | 71.5 | Confident | 46 Ų | 46 | 48.6 Ų | 48.6 | 38% | 0.38 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -56.9 | -23.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | L188 E189 | A186-L188 VanDerWaalsContact C-N 3.27Å; A186-L188 PolarHBondContact O-N 2.9Å; A186-E189 WeakPolarHBondContact O-CB 3.36Å; A186-E189 PolarHBondContact O-N 2.9Å |
| 187 | Q | 46.5 | Very low | 72.3 | Confident | 79 Ų | 79 | 43.9 Ų | 43.9 | 37% | 0.369 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -70.5 | -18.6 | 174.5 | -69.7 | -171.3 | 104.5 | 0 | 0 | 114.3 | R68 P185 | R68-Q187 WeakPolarHBondContact O-CG 3.43Å; R68-Q187 PolarHBondContact O-OE1 3.09Å; P185-Q187 PolarHBondContact O-N 2.91Å |
| 188 | L | 53.2 | Low | 72.2 | Confident | 41 Ų | 41 | 42.7 Ų | 42.7 | 22% | 0.215 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -101.7 | 5.7 | 176.3 | -59.5 | -179.8 | 0 | 0 | 0 | 111.9 | Q184 P185 A186 C190 L191 Y195 | Q184-L188 HydrophobicContact CG-CB 3.66Å; Q184-L188 PolarHBondContact NE2-O 3.33Å; Q184-L188 PolarHBondContact OE1-O 2.98Å; P185-L188 HydrophobicContact CG-CB 4.49Å; P185-L188 HydrophobicContact CG-CD1 3.85Å; P185-L188 HydrophobicContact CG-CG 4.06Å; P185-L188 PolarHBondContact O-N 3.5Å; A186-L188 VanDerWaalsContact C-N 3.27Å; A186-L188 PolarHBondContact O-N 2.9Å; L188-C190 PolarHBondContact O-N 2.92Å; L188-L191 HydrophobicContact CB-CD1 4.37Å; L188-L191 HydrophobicContact CD2-CD1 3.76Å; L188-L191 VanDerWaalsContact O-CB 3.3Å; L188-L191 WeakPolarHBondContact O-CB 3.18Å; L188-L191 PolarHBondContact O-N 2.99Å; L188-Y195 HydrophobicContact CD1-CE2 3.98Å |
| 189 | E | 60.3 | Low | 71.9 | Confident | 84 Ų | 84 | 46.1 Ų | 46.1 | 39% | 0.393 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 132.6 | 179.9 | -82.9 | 174.2 | -171.1 | 0 | 0 | 111.1 | A186 L191 I228 | A186-E189 WeakPolarHBondContact O-CB 3.36Å; A186-E189 PolarHBondContact O-N 2.9Å; E189-L191 VanDerWaalsContact C-N 3.33Å; E189-I228 HydrophobicContact CB-CD1 3.94Å; E189-I228 VanDerWaalsContact CD-CD1 3.45Å; E189-I228 HydrophobicContact CG-CD1 3.65Å; E189-I228 VanDerWaalsContact OE2-CD1 3.3Å; E189-I228 WeakPolarHBondContact OE2-CD1 3.45Å |
| 190 | C | 67.6 | Low | 71.4 | Confident | 17 Ų | 17 | 41.3 Ų | 41.3 | 12% | 0.115 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76 | -1.8 | -172.2 | -47.6 | 0 | 0 | 0 | 0 | 117.3 | L188 I212 C229 L268 | L188-C190 PolarHBondContact O-N 2.92Å; C190-I212 HydrophobicContact CB-CD1 4.21Å; C190-I212 WeakPolarHBondContact O-CG2 3.49Å; C190-C229 WeakPolarHBondContact CA-SG 3.35Å; C190-C229 HydrophobicContact CB-CB 3.92Å; C190-C229 WeakPolarHBondContact CB-SG 3.16Å; C190-C229 WeakPolarHBondContact SG-CA 3.22Å; C190-C229 WeakPolarHBondContact SG-CB 3.38Å; C190-C229 CovalentContact SG-SG 2.03Å; C190-C229 PolarHBondContact SG-SG 2.82Å; C190-L268 WeakPolarHBondContact O-CD2 3.45Å |
| 191 | L | 74.3 | Confident | 70.1 | Confident | 25 Ų | 25 | 39.3 Ų | 39.3 | 13% | 0.131 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -86 | 159 | 170.6 | -59.4 | -178.5 | 0 | 0 | 0 | 111.8 | Q184 L188 E189 A193 F213 L249 Y257 L268 | Q184-L191 PolarHBondContact NE2-O 3.19Å; L188-L191 HydrophobicContact CB-CD1 4.37Å; L188-L191 HydrophobicContact CD2-CD1 3.76Å; L188-L191 VanDerWaalsContact O-CB 3.3Å; L188-L191 WeakPolarHBondContact O-CB 3.18Å; L188-L191 PolarHBondContact O-N 2.99Å; E189-L191 VanDerWaalsContact C-N 3.33Å; L191-A193 PolarHBondContact O-N 3.49Å; L191-F213 PolarHBondContact O-N 3.04Å; L191-L249 HydrophobicContact CD2-CD1 4.13Å; L191-Y257 HydrophobicContact CD1-CD2 4.27Å; L191-Y257 HydrophobicContact CD1-CE2 4.29Å; L191-Y257 HydrophobicContact CD2-CD1 4.15Å; L191-Y257 HydrophobicContact CD2-CD2 3.88Å; L191-Y257 HydrophobicContact CD2-CE2 4.42Å; L191-Y257 HydrophobicContact CD2-CG 3.76Å; L191-L268 HydrophobicContact CD2-CD2 4.1Å |
| 192 | P | 76.2 | Confident | 69.4 | Low | 12 Ų | 12 | 38.3 Ų | 38.3 | 8% | 0.078 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -71.4 | -15.5 | 170.9 | 29.9 | -36.7 | 0 | 0 | 0 | 113.5 | Y194 I206 C207 L211 Y257 M270 | P192-Y194 WeakPolarHBondContact O-CD1 3.38Å; P192-I206 HydrophobicContact CB-CG2 3.83Å; P192-I206 HydrophobicContact CG-CG2 4.09Å; P192-I206 CarbonylContact O-C 3.59Å; P192-I206 WeakPolarHBondContact O-CA 3.16Å; P192-C207 HydrophobicContact CB-CB 3.92Å; P192-C207 PolarHBondContact O-N 3.12Å; P192-C207 PolarHBondContact O-SG 2.88Å; P192-L211 WeakPolarHBondContact CB-O 3.32Å; P192-Y257 HydrophobicContact CG-CD1 4.32Å; P192-Y257 HydrophobicContact CG-CE1 3.43Å; P192-Y257 VanDerWaalsContact CG-CE1 3.43Å; P192-M270 HydrophobicContact CG-SD 4.25Å |
| 193 | A | 75.4 | Confident | 68.5 | Low | 2 Ų | 2 | 41.3 Ų | 41.3 | 2% | 0.017 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 128.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q184 L191 S205 | Q184-A193 PolarHBondContact NE2-O 2.93Å; L191-A193 PolarHBondContact O-N 3.49Å; A193-S205 WeakPolarHBondContact CA-O 3.47Å |
| 194 | Y | 80 | Confident | 68.5 | Low | 36 Ų | 36 | 45.1 Ų | 45.1 | 14% | 0.141 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | -179.1 | -179.1 | 69.8 | -83 | 0 | 0 | 0 | 111.8 | A182 P192 N196 S205 F213 | A182-Y194 HydrophobicContact CB-CD2 3.78Å; A182-Y194 HydrophobicContact CB-CE2 3.73Å; P192-Y194 WeakPolarHBondContact O-CD1 3.38Å; Y194-N196 VanDerWaalsContact CE2-ND2 3.35Å; Y194-N196 WeakPolarHBondContact CE2-ND2 3.35Å; Y194-S205 PolarHBondContact N-O 3.13Å; Y194-S205 PolarHBondContact O-N 3.16Å; Y194-S205 VanDerWaalsContact O-O 3.09Å; Y194-F213 VanDerWaalsContact CB-CG 3.48Å; Y194-F213 HydrophobicContact CD1-CB 4.12Å; Y194-F213 AromaticContact CD1-CD2 3.64Å; Y194-F213 HydrophobicContact CD1-CD2 3.64Å; Y194-F213 HydrophobicContact CD1-CE2 4.41Å; Y194-F213 HydrophobicContact CD1-CG 4.08Å; Y194-F213 AromaticContact CD2-CD2 3.7Å; Y194-F213 HydrophobicContact CD2-CD2 3.7Å; Y194-F213 AromaticContact CD2-CE2 3.64Å; Y194-F213 HydrophobicContact CD2-CE2 3.64Å; Y194-F213 HydrophobicContact CD2-CG 4.41Å; Y194-F213 HydrophobicContact CD2-CZ 4.28Å; Y194-F213 HydrophobicContact CE1-CD2 4.16Å; Y194-F213 HydrophobicContact CE2-CD2 4.19Å; Y194-F213 HydrophobicContact CE2-CE2 4.04Å; Y194-F213 HydrophobicContact CG-CB 4.21Å; Y194-F213 AromaticContact CG-CD2 3.39Å; Y194-F213 HydrophobicContact CG-CD2 3.39Å; Y194-F213 AromaticContact CG-CE2 3.84Å; Y194-F213 HydrophobicContact CG-CE2 3.84Å; Y194-F213 AromaticContact CG-CG 3.77Å; Y194-F213 HydrophobicContact CG-CG 3.77Å |
| 195 | Y | 84.3 | Confident | 68.4 | Low | 14 Ų | 14 | 45.7 Ų | 45.7 | 6% | 0.055 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 125.6 | 179.7 | -67.6 | -90.6 | 0 | 0 | 0 | 111.1 | F173 Y183 P185 L188 A202 E203 R204 | F173-Y195 HydrophobicContact CB-CD1 4.06Å; F173-Y195 HydrophobicContact CB-CD2 3.77Å; F173-Y195 HydrophobicContact CB-CE1 4.11Å; F173-Y195 HydrophobicContact CB-CE2 3.82Å; F173-Y195 HydrophobicContact CB-CG 3.89Å; F173-Y195 HydrophobicContact CD1-CD1 4.21Å; F173-Y195 HydrophobicContact CD1-CD2 4.02Å; F173-Y195 AromaticContact CD1-CG 3.63Å; F173-Y195 HydrophobicContact CD1-CG 3.63Å; F173-Y195 HydrophobicContact CD2-CD2 4.33Å; F173-Y195 HydrophobicContact CE1-CG 4.42Å; F173-Y195 HydrophobicContact CG-CD1 4.41Å; F173-Y195 AromaticContact CG-CD2 3.75Å; F173-Y195 HydrophobicContact CG-CD2 3.75Å; F173-Y195 HydrophobicContact CG-CE2 4.28Å; F173-Y195 AromaticContact CG-CG 3.82Å; F173-Y195 HydrophobicContact CG-CG 3.82Å; Y183-Y195 PolarHBondContact N-O 2.84Å; Y183-Y195 PolarHBondContact O-N 2.78Å; Y183-Y195 VanDerWaalsContact O-O 3.11Å; P185-Y195 HydrophobicContact CG-CD2 4.29Å; P185-Y195 HydrophobicContact CG-CE2 4Å; L188-Y195 HydrophobicContact CD1-CE2 3.98Å; Y195-A202 HydrophobicContact CD1-CB 4.34Å; Y195-E203 CarbonylContact C-O 3.57Å; Y195-E203 WeakPolarHBondContact CA-O 3.25Å; Y195-R204 HydrophobicContact CD1-CB 4.04Å; Y195-R204 HydrophobicContact CE1-CB 3.86Å; Y195-R204 HydrophobicContact CE1-CG 4.19Å |
| 196 | N | 79.7 | Confident | 69.5 | Low | 38 Ų | 38 | 48.2 Ų | 48.2 | 20% | 0.203 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 118.7 | 169.3 | -78.2 | -60.2 | 0 | 0 | 0 | 110 | A182 Y194 E203 S205 | A182-N196 WeakPolarHBondContact CB-OD1 3.26Å; Y194-N196 VanDerWaalsContact CE2-ND2 3.35Å; Y194-N196 WeakPolarHBondContact CE2-ND2 3.35Å; N196-E203 HydrophobicContact CB-CB 4.35Å; N196-E203 PolarHBondContact N-O 3.11Å; N196-E203 PolarHBondContact O-N 2.84Å; N196-S205 PolarHBondContact ND2-OG 3.15Å |
| 197 | C | 84.4 | Confident | 71.1 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 124.1 | 166.2 | -67.6 | 0 | 0 | 0 | 0 | 110.2 | C175 D180 G181 Y183 T201 | C175-C197 HydrophobicContact CB-CB 3.75Å; C175-C197 WeakPolarHBondContact CB-SG 3.32Å; C175-C197 WeakPolarHBondContact SG-CA 3.39Å; C175-C197 WeakPolarHBondContact SG-CB 3.26Å; C175-C197 CovalentContact SG-SG 2.03Å; C175-C197 PolarHBondContact SG-SG 2.88Å; D180-C197 CarbonylContact C-O 3.59Å; D180-C197 VanDerWaalsContact CA-O 3.31Å; D180-C197 WeakPolarHBondContact CA-O 3.36Å; G181-C197 PolarHBondContact N-O 3.02Å; G181-C197 WeakPolarHBondContact O-CB 3.42Å; G181-C197 PolarHBondContact O-N 3.17Å; Y183-C197 HydrophobicContact CD2-CB 3.98Å; Y183-C197 WeakPolarHBondContact CD2-SG 3.37Å; Y183-C197 HydrophobicContact CE2-CB 3.88Å; C197-T201 VanDerWaalsContact CA-O 3.3Å; C197-T201 WeakPolarHBondContact CA-O 3.26Å |
| 198 | L | 72.1 | Confident | 72.8 | Confident | 64 Ų | 64 | 48.6 Ų | 48.6 | 34% | 0.335 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 116.8 | 173.9 | -66.8 | 173.7 | 0 | 0 | 0 | 109.8 | G200 T201 K1709 | L198-G200 PolarHBondContact O-N 3.2Å; L198-G200 VanDerWaalsContact O-N 3.1Å; L198-T201 PolarHBondContact N-O 3.19Å; L198-T201 WeakPolarHBondContact O-CB 3.37Å; L198-T201 PolarHBondContact O-N 2.98Å; L198-K1709 HydrophobicContact CD1-CD 3.93Å |
| 199 | N | 70.8 | Confident | 73.7 | Confident | 152 Ų | 152 | 54.4 Ų | 54.4 | 81% | 0.813 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 29.1 | -172 | -59.2 | -84 | 0 | 0 | 0 | 114.4 | D180 | D180-N199 VanDerWaalsContact CG-N 3.28Å; D180-N199 WeakPolarHBondContact OD1-CA 3.46Å; D180-N199 PolarHBondContact OD1-N 2.93Å; D180-N199 PolarHBondContact OD2-N 3.22Å |
| 200 | G | 68.7 | Low | 74 | Confident | 24 Ų | 24 | 53.3 Ų | 53.3 | 25% | 0.247 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.9 | 2.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | C175 L198 | C175-G200 VanDerWaalsContact CB-C 3.49Å; C175-G200 VanDerWaalsContact CB-O 3.22Å; C175-G200 WeakPolarHBondContact CB-O 3.48Å; L198-G200 PolarHBondContact O-N 3.2Å; L198-G200 VanDerWaalsContact O-N 3.1Å |
| 201 | T | 54.9 | Low | 74.6 | Confident | 48 Ų | 48 | 55.1 Ų | 55.1 | 29% | 0.294 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 144.7 | 171.9 | -56.3 | 0 | 0 | 0 | 0 | 110.4 | C197 L198 | C197-T201 VanDerWaalsContact CA-O 3.3Å; C197-T201 WeakPolarHBondContact CA-O 3.26Å; L198-T201 PolarHBondContact N-O 3.19Å; L198-T201 WeakPolarHBondContact O-CB 3.37Å; L198-T201 PolarHBondContact O-N 2.98Å |
| 202 | A | 67.7 | Low | 74.8 | Confident | 8 Ų | 8 | 54.1 Ų | 54.1 | 7% | 0.066 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 110.3 | -178 | 0 | 0 | 0 | 0 | 0 | 112.2 | F173 Y195 | F173-A202 HydrophobicContact CD1-CB 4.06Å; F173-A202 WeakPolarHBondContact O-CB 3.34Å; Y195-A202 HydrophobicContact CD1-CB 4.34Å |
| 203 | E | 64.6 | Low | 75 | Confident | 83 Ų | 83 | 53.6 Ų | 53.6 | 39% | 0.388 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 117.1 | 178.6 | -176.8 | 172.8 | -145.1 | 0 | 0 | 109.7 | Y195 N196 K1709 | Y195-E203 CarbonylContact C-O 3.57Å; Y195-E203 WeakPolarHBondContact CA-O 3.25Å; N196-E203 HydrophobicContact CB-CB 4.35Å; N196-E203 PolarHBondContact N-O 3.11Å; N196-E203 PolarHBondContact O-N 2.84Å; E203-K1709 IonicContact OE1-NZ 3.71Å; E203-K1709 PolarHBondContact OE1-NZ 2.85Å; E203-K1709 IonicContact OE2-NZ 3.63Å; E203-K1709 PolarHBondContact OE2-NZ 2.96Å |
| 204 | R | 76.2 | Confident | 75.3 | Confident | 135 Ų | 135 | 54.1 Ų | 54.1 | 51% | 0.509 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 136.7 | 179 | -173.5 | 179.6 | 177.6 | -85.1 | 2.9 | 110 | Y195 | Y195-R204 HydrophobicContact CD1-CB 4.04Å; Y195-R204 HydrophobicContact CE1-CB 3.86Å; Y195-R204 HydrophobicContact CE1-CG 4.19Å |
| 205 | S | 73 | Confident | 75.3 | Confident | 26 Ų | 26 | 54.5 Ų | 54.5 | 18% | 0.182 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 161.6 | 177 | -56 | 0 | 0 | 0 | 0 | 110.2 | A193 Y194 N196 | A193-S205 WeakPolarHBondContact CA-O 3.47Å; Y194-S205 PolarHBondContact N-O 3.13Å; Y194-S205 PolarHBondContact O-N 3.16Å; Y194-S205 VanDerWaalsContact O-O 3.09Å; N196-S205 PolarHBondContact ND2-OG 3.15Å |
| 206 | I | 80.8 | Confident | 74.9 | Confident | 78 Ų | 78 | 63.1 Ų | 63.1 | 40% | 0.4 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 146.5 | 173.4 | -48.3 | -179.7 | 0 | 0 | 0 | 106.4 | P192 | P192-I206 HydrophobicContact CB-CG2 3.83Å; P192-I206 HydrophobicContact CG-CG2 4.09Å; P192-I206 CarbonylContact O-C 3.59Å; P192-I206 WeakPolarHBondContact O-CA 3.16Å |
| 207 | C | 82.2 | Confident | 75 | Confident | 9 Ų | 9 | 64.4 Ų | 64.4 | 6% | 0.061 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 152 | 169.7 | -67.3 | 0 | 0 | 0 | 0 | 111.5 | P192 L211 C220 | P192-C207 HydrophobicContact CB-CB 3.92Å; P192-C207 PolarHBondContact O-N 3.12Å; P192-C207 PolarHBondContact O-SG 2.88Å; C207-L211 HydrophobicContact CB-CB 4.03Å; C207-L211 VanDerWaalsContact CB-O 3.32Å; C207-L211 WeakPolarHBondContact CB-O 3.47Å; C207-C220 WeakPolarHBondContact CA-SG 3.34Å; C207-C220 HydrophobicContact CB-CB 3.65Å; C207-C220 WeakPolarHBondContact CB-SG 3.38Å; C207-C220 WeakPolarHBondContact SG-CB 3.39Å; C207-C220 CovalentContact SG-SG 2.03Å; C207-C220 PolarHBondContact SG-SG 3.5Å |
| 208 | D | 82.8 | Confident | 74.9 | Confident | 124 Ų | 124 | 65.5 Ų | 65.5 | 66% | 0.663 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -60.7 | 156.2 | 171.7 | -41.8 | -60.3 | 0 | 0 | 0 | 111 | G210 L211 | D208-G210 PolarHBondContact O-N 3.04Å; D208-L211 HydrophobicContact CB-CD1 4.47Å; D208-L211 WeakPolarHBondContact O-CB 3.18Å; D208-L211 PolarHBondContact O-N 3.04Å; D208-L211 VanDerWaalsContact O-N 3.07Å |
| 209 | D | 71.1 | Confident | 75.6 | Confident | 163 Ų | 163 | 67.5 Ų | 67.5 | 87% | 0.872 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | 133.5 | -165 | -61.3 | -40.2 | 0 | 0 | 0 | 114.6 | L211 | D209-L211 PolarHBondContact O-N 3.41Š|
| 210 | G | 67.4 | Low | 76.4 | Confident | 62 Ų | 62 | 61.8 Ų | 61.8 | 64% | 0.639 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.4 | -5.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | D208 | D208-G210 PolarHBondContact O-N 3.04Š|
| 211 | L | 81 | Confident | 77.2 | Confident | 54 Ų | 54 | 61.6 Ų | 61.6 | 28% | 0.283 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 146.6 | 173.9 | -56.2 | 178.6 | 0 | 0 | 0 | 111.2 | P192 C207 D208 D209 C220 | P192-L211 WeakPolarHBondContact CB-O 3.32Å; C207-L211 HydrophobicContact CB-CB 4.03Å; C207-L211 VanDerWaalsContact CB-O 3.32Å; C207-L211 WeakPolarHBondContact CB-O 3.47Å; D208-L211 HydrophobicContact CB-CD1 4.47Å; D208-L211 WeakPolarHBondContact O-CB 3.18Å; D208-L211 PolarHBondContact O-N 3.04Å; D208-L211 VanDerWaalsContact O-N 3.07Å; D209-L211 PolarHBondContact O-N 3.41Å; L211-C220 HydrophobicContact CB-CB 4.1Å; L211-C220 HydrophobicContact CD1-CB 4.18Å |
| 212 | I | 77.6 | Confident | 78.3 | Confident | 5 Ų | 5 | 64.3 Ų | 64.3 | 3% | 0.026 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 157 | 172.3 | 63.9 | 146.5 | 0 | 0 | 0 | 111.1 | C190 N214 C220 T221 I223 V226 C229 L268 | C190-I212 HydrophobicContact CB-CD1 4.21Å; C190-I212 WeakPolarHBondContact O-CG2 3.49Å; I212-N214 PolarHBondContact O-N 2.83Å; I212-C220 WeakPolarHBondContact O-CA 3.31Å; I212-T221 PolarHBondContact N-O 2.91Å; I212-T221 PolarHBondContact O-N 3.37Å; I212-I223 HydrophobicContact CD1-CB 4.12Å; I212-I223 HydrophobicContact CD1-CD1 4.48Å; I212-I223 HydrophobicContact CD1-CG1 3.71Å; I212-I223 HydrophobicContact CG1-CB 4.04Å; I212-I223 HydrophobicContact CG1-CG1 4.17Å; I212-V226 HydrophobicContact CD1-CB 3.89Å; I212-V226 HydrophobicContact CD1-CG1 4.4Å; I212-V226 HydrophobicContact CD1-CG2 3.44Å; I212-V226 VanDerWaalsContact CD1-CG2 3.44Å; I212-V226 HydrophobicContact CG1-CG2 3.78Å; I212-C229 HydrophobicContact CD1-CB 4.08Å; I212-C229 WeakPolarHBondContact CD1-SG 3.44Å; I212-L268 HydrophobicContact CG2-CD2 4Å |
| 213 | F | 80 | Confident | 78.5 | Confident | 1 Ų | 1 | 65.1 Ų | 65.1 | 0% | 0.004 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 127.6 | -179.5 | -173.5 | -97.5 | 0 | 0 | 0 | 111.9 | A182 Q184 L191 Y194 S215 G218 | A182-F213 HydrophobicContact CB-CE2 3.47Å; A182-F213 VanDerWaalsContact CB-CE2 3.47Å; A182-F213 HydrophobicContact CB-CZ 3.52Å; Q184-F213 HydrophobicContact CB-CD1 3.56Å; Q184-F213 HydrophobicContact CB-CE1 3.91Å; Q184-F213 HydrophobicContact CG-CD1 4.35Å; Q184-F213 PolarHBondContact OE1-O 2.94Å; L191-F213 PolarHBondContact O-N 3.04Å; Y194-F213 VanDerWaalsContact CB-CG 3.48Å; Y194-F213 HydrophobicContact CD1-CB 4.12Å; Y194-F213 AromaticContact CD1-CD2 3.64Å; Y194-F213 HydrophobicContact CD1-CD2 3.64Å; Y194-F213 HydrophobicContact CD1-CE2 4.41Å; Y194-F213 HydrophobicContact CD1-CG 4.08Å; Y194-F213 AromaticContact CD2-CD2 3.7Å; Y194-F213 HydrophobicContact CD2-CD2 3.7Å; Y194-F213 AromaticContact CD2-CE2 3.64Å; Y194-F213 HydrophobicContact CD2-CE2 3.64Å; Y194-F213 HydrophobicContact CD2-CG 4.41Å; Y194-F213 HydrophobicContact CD2-CZ 4.28Å; Y194-F213 HydrophobicContact CE1-CD2 4.16Å; Y194-F213 HydrophobicContact CE2-CD2 4.19Å; Y194-F213 HydrophobicContact CE2-CE2 4.04Å; Y194-F213 HydrophobicContact CG-CB 4.21Å; Y194-F213 AromaticContact CG-CD2 3.39Å; Y194-F213 HydrophobicContact CG-CD2 3.39Å; Y194-F213 AromaticContact CG-CE2 3.84Å; Y194-F213 HydrophobicContact CG-CE2 3.84Å; Y194-F213 AromaticContact CG-CG 3.77Å; Y194-F213 HydrophobicContact CG-CG 3.77Å; F213-S215 PolarHBondContact O-N 3.3Å; F213-G218 WeakPolarHBondContact CE2-O 3.31Å |
| 214 | N | 82.5 | Confident | 78.8 | Confident | 13 Ų | 13 | 64.4 Ų | 64.4 | 7% | 0.07 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 91 | -178.4 | -171.8 | -24.5 | 0 | 0 | 0 | 109.9 | I212 R216 S217 G218 N219 T221 Q225 V226 | I212-N214 PolarHBondContact O-N 2.83Å; N214-R216 PolarHBondContact O-N 2.95Å; N214-R216 WeakPolarHBondContact OD1-CB 3.11Å; N214-R216 PolarHBondContact OD1-N 2.93Å; N214-S217 WeakPolarHBondContact CB-OG 3.43Å; N214-S217 PolarHBondContact O-N 2.8Å; N214-S217 PolarHBondContact O-OG 2.96Å; N214-S217 PolarHBondContact OD1-N 2.89Å; N214-G218 PolarHBondContact O-N 2.93Å; N214-N219 VanDerWaalsContact CB-O 3.26Å; N214-N219 WeakPolarHBondContact CB-O 3.34Å; N214-N219 PolarHBondContact N-O 2.82Å; N214-T221 HydrophobicContact CB-CG2 4.19Å; N214-T221 WeakPolarHBondContact CB-OG1 3.46Å; N214-T221 PolarHBondContact ND2-OG1 3.05Å; N214-T221 VanDerWaalsContact ND2-OG1 3.12Å; N214-Q225 PolarHBondContact ND2-O 3.21Å; N214-V226 HydrophobicContact CB-CG1 4.38Å; N214-V226 HydrophobicContact CB-CG2 3.69Å |
| 215 | S | 79.2 | Confident | 78.7 | Confident | 43 Ų | 43 | 63.1 Ų | 63.1 | 30% | 0.301 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -12.5 | -178.7 | 64.8 | 0 | 0 | 0 | 0 | 115.3 | F213 | F213-S215 PolarHBondContact O-N 3.3Š|
| 216 | R | 76 | Confident | 78.8 | Confident | 195 Ų | 195 | 62 Ų | 62 | 74% | 0.736 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -28.4 | 174.4 | -173.3 | -175.9 | -60.6 | -77.5 | -3.2 | 113.7 | N214 | N214-R216 PolarHBondContact O-N 2.95Å; N214-R216 WeakPolarHBondContact OD1-CB 3.11Å; N214-R216 PolarHBondContact OD1-N 2.93Å |
| 217 | S | 81.7 | Confident | 78.1 | Confident | 65 Ų | 65 | 59.8 Ų | 59.8 | 46% | 0.455 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -27.1 | 178.1 | 68.4 | 0 | 0 | 0 | 0 | 113.2 | N214 N219 | N214-S217 WeakPolarHBondContact CB-OG 3.43Å; N214-S217 PolarHBondContact O-N 2.8Å; N214-S217 PolarHBondContact O-OG 2.96Å; N214-S217 PolarHBondContact OD1-N 2.89Å; S217-N219 PolarHBondContact OG-N 3.03Å |
| 218 | G | 83.9 | Confident | 77.1 | Confident | 24 Ų | 24 | 61.5 Ų | 61.5 | 25% | 0.247 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | 8.5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114 | A182 F213 N214 | A182-G218 WeakPolarHBondContact CB-O 3.43Å; F213-G218 WeakPolarHBondContact CE2-O 3.31Å; N214-G218 PolarHBondContact O-N 2.93Å |
| 219 | N | 85.4 | Confident | 76.2 | Confident | 106 Ų | 106 | 55.7 Ų | 55.7 | 57% | 0.567 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 160.6 | -176.7 | -68.4 | 18.9 | 0 | 0 | 0 | 111.4 | N214 S217 | N214-N219 VanDerWaalsContact CB-O 3.26Å; N214-N219 WeakPolarHBondContact CB-O 3.34Å; N214-N219 PolarHBondContact N-O 2.82Å; S217-N219 PolarHBondContact OG-N 3.03Å |
| 220 | C | 87.5 | Confident | 75.6 | Confident | 32 Ų | 32 | 52.5 Ų | 52.5 | 22% | 0.216 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 134.4 | 160.9 | -61.2 | 0 | 0 | 0 | 0 | 110.4 | C207 L211 I212 | C207-C220 WeakPolarHBondContact CA-SG 3.34Å; C207-C220 HydrophobicContact CB-CB 3.65Å; C207-C220 WeakPolarHBondContact CB-SG 3.38Å; C207-C220 WeakPolarHBondContact SG-CB 3.39Å; C207-C220 CovalentContact SG-SG 2.03Å; C207-C220 PolarHBondContact SG-SG 3.5Å; L211-C220 HydrophobicContact CB-CB 4.1Å; L211-C220 HydrophobicContact CD1-CB 4.18Å; I212-C220 WeakPolarHBondContact O-CA 3.31Å |
| 221 | T | 85.8 | Confident | 74.9 | Confident | 20 Ų | 20 | 57.1 Ų | 57.1 | 12% | 0.123 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 163.2 | 175.8 | 64 | 0 | 0 | 0 | 0 | 110.3 | I212 N214 V226 | I212-T221 PolarHBondContact N-O 2.91Å; I212-T221 PolarHBondContact O-N 3.37Å; N214-T221 HydrophobicContact CB-CG2 4.19Å; N214-T221 WeakPolarHBondContact CB-OG1 3.46Å; N214-T221 PolarHBondContact ND2-OG1 3.05Å; N214-T221 VanDerWaalsContact ND2-OG1 3.12Å; T221-V226 WeakPolarHBondContact OG1-CG2 3.43Å |
| 222 | E | 78 | Confident | 73.7 | Confident | 104 Ų | 104 | 58 Ų | 58 | 49% | 0.486 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -49.7 | 147.7 | 166.7 | -66.9 | 169.5 | -140.7 | 0 | 0 | 111.9 | S224 Q225 | E222-S224 WeakPolarHBondContact CB-OG 3.38Å; E222-S224 PolarHBondContact O-N 2.94Å; E222-S224 VanDerWaalsContact O-N 3.1Å; E222-S224 PolarHBondContact OE2-OG 2.84Å; E222-Q225 HydrophobicContact CB-CG 4.25Å; E222-Q225 PolarHBondContact O-N 2.77Å |
| 223 | I | 72 | Confident | 72.5 | Confident | 26 Ų | 26 | 59 Ų | 59 | 13% | 0.133 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -57.8 | -25.6 | 175.1 | -160.4 | 166.9 | 0 | 0 | 0 | 113.3 | I212 Q225 C229 L233 L268 | I212-I223 HydrophobicContact CD1-CB 4.12Å; I212-I223 HydrophobicContact CD1-CD1 4.48Å; I212-I223 HydrophobicContact CD1-CG1 3.71Å; I212-I223 HydrophobicContact CG1-CB 4.04Å; I212-I223 HydrophobicContact CG1-CG1 4.17Å; I223-Q225 PolarHBondContact O-N 2.83Å; I223-C229 HydrophobicContact CG1-CB 4Å; I223-L233 HydrophobicContact CD1-CD1 3.88Å; I223-L233 HydrophobicContact CD1-CD2 4.37Å; I223-L233 HydrophobicContact CG1-CD1 3.74Å; I223-L233 HydrophobicContact CG2-CD1 4.15Å; I223-L268 HydrophobicContact CD1-CB 3.66Å |
| 224 | S | 70.5 | Confident | 70.9 | Confident | 68 Ų | 68 | 63.9 Ų | 63.9 | 48% | 0.476 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -61.9 | -23.8 | 174.3 | 72.3 | 0 | 0 | 0 | 0 | 114.1 | E222 | E222-S224 WeakPolarHBondContact CB-OG 3.38Å; E222-S224 PolarHBondContact O-N 2.94Å; E222-S224 VanDerWaalsContact O-N 3.1Å; E222-S224 PolarHBondContact OE2-OG 2.84Å |
| 225 | Q | 74.1 | Confident | 69.4 | Low | 107 Ų | 107 | 67.1 Ų | 67.1 | 50% | 0.5 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -100.2 | -10.7 | -171.4 | -57.1 | -176.4 | 26.7 | 0 | 0 | 113.5 | N214 E222 I223 G227 | N214-Q225 PolarHBondContact ND2-O 3.21Å; E222-Q225 HydrophobicContact CB-CG 4.25Å; E222-Q225 PolarHBondContact O-N 2.77Å; I223-Q225 PolarHBondContact O-N 2.83Å; Q225-G227 PolarHBondContact O-N 2.91Å |
| 226 | V | 75.8 | Confident | 67.6 | Low | 2 Ų | 2 | 71.6 Ų | 71.6 | 1% | 0.012 | 39% | 0.393 | C | S | . | . | trans | -94.9 | 94 | -177 | -166.2 | 0 | 0 | 0 | 0 | 109.1 | I212 N214 T221 I228 C229 E230 | I212-V226 HydrophobicContact CD1-CB 3.89Å; I212-V226 HydrophobicContact CD1-CG1 4.4Å; I212-V226 HydrophobicContact CD1-CG2 3.44Å; I212-V226 VanDerWaalsContact CD1-CG2 3.44Å; I212-V226 HydrophobicContact CG1-CG2 3.78Å; N214-V226 HydrophobicContact CB-CG1 4.38Å; N214-V226 HydrophobicContact CB-CG2 3.69Å; T221-V226 WeakPolarHBondContact OG1-CG2 3.43Å; V226-I228 HydrophobicContact CG1-CG1 3.83Å; V226-I228 PolarHBondContact O-N 3.44Å; V226-C229 HydrophobicContact CB-CB 4.01Å; V226-C229 HydrophobicContact CG1-CB 4.41Å; V226-C229 VanDerWaalsContact CG1-SG 3.55Å; V226-C229 CarbonylContact O-C 3.5Å; V226-C229 WeakPolarHBondContact O-CA 3.41Å; V226-C229 VanDerWaalsContact O-CB 3.32Å; V226-C229 WeakPolarHBondContact O-CB 3.49Å; V226-C229 PolarHBondContact O-N 3.37Å; V226-E230 PolarHBondContact O-N 3.01Å | ||
| 227 | G | 66.5 | Low | 66.6 | Low | 32 Ų | 32 | 64 Ų | 64 | 33% | 0.33 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58 | -14.6 | -169.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | Q225 E231 | Q225-G227 PolarHBondContact O-N 2.91Å; G227-E231 PolarHBondContact O-N 2.04Å; G227-E231 VanDerWaalsContact O-N 3.12Å |
| 228 | I | 61.5 | Low | 65.8 | Low | 46 Ų | 46 | 64 Ų | 64 | 24% | 0.236 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -81.3 | -35.6 | 168.8 | 50.7 | 166.3 | 0 | 0 | 0 | 112 | E189 V226 E230 E231 V232 | E189-I228 HydrophobicContact CB-CD1 3.94Å; E189-I228 VanDerWaalsContact CD-CD1 3.45Å; E189-I228 HydrophobicContact CG-CD1 3.65Å; E189-I228 VanDerWaalsContact OE2-CD1 3.3Å; E189-I228 WeakPolarHBondContact OE2-CD1 3.45Å; V226-I228 HydrophobicContact CG1-CG1 3.83Å; V226-I228 PolarHBondContact O-N 3.44Å; I228-E230 VanDerWaalsContact C-N 3.31Å; I228-E231 CarbonylContact O-C 3.57Å; I228-E231 WeakPolarHBondContact O-CA 3.28Å; I228-E231 PolarHBondContact O-N 3.5Å; I228-V232 WeakPolarHBondContact O-CG2 3.49Å; I228-V232 PolarHBondContact O-N 3.19Å |
| 229 | C | 62 | Low | 65.5 | Low | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.007 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -71.4 | -31.8 | 169.1 | -47.6 | 0 | 0 | 0 | 0 | 110.2 | C190 I212 I223 V226 E231 V232 L233 | C190-C229 WeakPolarHBondContact CA-SG 3.35Å; C190-C229 HydrophobicContact CB-CB 3.92Å; C190-C229 WeakPolarHBondContact CB-SG 3.16Å; C190-C229 WeakPolarHBondContact SG-CA 3.22Å; C190-C229 WeakPolarHBondContact SG-CB 3.38Å; C190-C229 CovalentContact SG-SG 2.03Å; C190-C229 PolarHBondContact SG-SG 2.82Å; I212-C229 HydrophobicContact CD1-CB 4.08Å; I212-C229 WeakPolarHBondContact CD1-SG 3.44Å; I223-C229 HydrophobicContact CG1-CB 4Å; V226-C229 HydrophobicContact CB-CB 4.01Å; V226-C229 HydrophobicContact CG1-CB 4.41Å; V226-C229 VanDerWaalsContact CG1-SG 3.55Å; V226-C229 CarbonylContact O-C 3.5Å; V226-C229 WeakPolarHBondContact O-CA 3.41Å; V226-C229 VanDerWaalsContact O-CB 3.32Å; V226-C229 WeakPolarHBondContact O-CB 3.49Å; V226-C229 PolarHBondContact O-N 3.37Å; C229-E231 VanDerWaalsContact C-N 3.32Å; C229-V232 PolarHBondContact O-N 2.94Å; C229-L233 WeakPolarHBondContact O-CB 3.17Å; C229-L233 WeakPolarHBondContact O-CG 3.35Å; C229-L233 PolarHBondContact O-N 3.32Å |
| 230 | E | 60.4 | Low | 64.6 | Low | 97 Ų | 97 | 59.8 Ų | 59.8 | 45% | 0.453 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.3 | -40.5 | 163.2 | -156.4 | -163.1 | 162.6 | 0 | 0 | 111.1 | V226 I228 V232 N234 | V226-E230 PolarHBondContact O-N 3.01Å; I228-E230 VanDerWaalsContact C-N 3.31Å; E230-V232 VanDerWaalsContact C-N 3.34Å; E230-V232 PolarHBondContact O-N 3.36Å; E230-N234 HydrophobicContact CG-CB 4.32Å; E230-N234 VanDerWaalsContact CG-ND2 3.28Å; E230-N234 WeakPolarHBondContact CG-ND2 3.43Å; E230-N234 WeakPolarHBondContact O-CA 3.33Å; E230-N234 WeakPolarHBondContact O-CB 3.45Å; E230-N234 PolarHBondContact O-N 2.86Å; E230-N234 PolarHBondContact OE1-ND2 3.33Å |
| 231 | E | 51.1 | Low | 63.6 | Low | 158 Ų | 158 | 66.2 Ų | 66.2 | 74% | 0.738 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -69.9 | -23.7 | 172.8 | -76.5 | -167.2 | 171.1 | 0 | 0 | 114 | G227 I228 C229 S235 | G227-E231 PolarHBondContact O-N 2.04Å; G227-E231 VanDerWaalsContact O-N 3.12Å; I228-E231 CarbonylContact O-C 3.57Å; I228-E231 WeakPolarHBondContact O-CA 3.28Å; I228-E231 PolarHBondContact O-N 3.5Å; C229-E231 VanDerWaalsContact C-N 3.32Å; E231-S235 VanDerWaalsContact O-CB 3.27Å; E231-S235 WeakPolarHBondContact O-CB 3.3Å; E231-S235 PolarHBondContact O-N 3.1Å; E231-S235 VanDerWaalsContact O-N 3.15Å |
| 232 | V | 55.8 | Low | 63.2 | Low | 73 Ų | 73 | 68.5 Ų | 68.5 | 44% | 0.442 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -75.5 | -52.8 | 170.9 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | I228 C229 E230 S235 I238 | I228-V232 WeakPolarHBondContact O-CG2 3.49Å; I228-V232 PolarHBondContact O-N 3.19Å; C229-V232 PolarHBondContact O-N 2.94Å; E230-V232 VanDerWaalsContact C-N 3.34Å; E230-V232 PolarHBondContact O-N 3.36Å; V232-S235 VanDerWaalsContact O-CB 3.26Å; V232-S235 WeakPolarHBondContact O-CB 3.07Å; V232-S235 PolarHBondContact O-N 3.04Å; V232-I238 HydrophobicContact CG1-CD1 3.95Å |
| 233 | L | 53.1 | Low | 63.3 | Low | 25 Ų | 25 | 68.3 Ų | 68.3 | 13% | 0.131 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -70.9 | -47.3 | -178.8 | -58.7 | 173.7 | 0 | 0 | 0 | 111.6 | I223 C229 S235 S237 A266 | I223-L233 HydrophobicContact CD1-CD1 3.88Å; I223-L233 HydrophobicContact CD1-CD2 4.37Å; I223-L233 HydrophobicContact CG1-CD1 3.74Å; I223-L233 HydrophobicContact CG2-CD1 4.15Å; C229-L233 WeakPolarHBondContact O-CB 3.17Å; C229-L233 WeakPolarHBondContact O-CG 3.35Å; C229-L233 PolarHBondContact O-N 3.32Å; L233-S235 PolarHBondContact O-N 2.79Å; L233-S237 VanDerWaalsContact O-CA 3.23Å; L233-S237 WeakPolarHBondContact O-CA 3.47Å; L233-S237 PolarHBondContact O-N 3.2Å; L233-A266 HydrophobicContact CD2-CB 3.6Å |
| 234 | N | 47.2 | Very low | 63.8 | Low | 105 Ų | 105 | 71.3 Ų | 71.3 | 56% | 0.561 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | 23 | 172.4 | -64.6 | -28.7 | 0 | 0 | 0 | 112.8 | E230 T236 | E230-N234 HydrophobicContact CG-CB 4.32Å; E230-N234 VanDerWaalsContact CG-ND2 3.28Å; E230-N234 WeakPolarHBondContact CG-ND2 3.43Å; E230-N234 WeakPolarHBondContact O-CA 3.33Å; E230-N234 WeakPolarHBondContact O-CB 3.45Å; E230-N234 PolarHBondContact O-N 2.86Å; E230-N234 PolarHBondContact OE1-ND2 3.33Å; N234-T236 PolarHBondContact O-N 3.47Å |
| 235 | S | 49.7 | Very low | 64.3 | Low | 81 Ų | 81 | 69.1 Ų | 69.1 | 57% | 0.566 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | 52.8 | 153.4 | -177.8 | 0 | 0 | 0 | 0 | 110.6 | E231 V232 L233 S237 | E231-S235 VanDerWaalsContact O-CB 3.27Å; E231-S235 WeakPolarHBondContact O-CB 3.3Å; E231-S235 PolarHBondContact O-N 3.1Å; E231-S235 VanDerWaalsContact O-N 3.15Å; V232-S235 VanDerWaalsContact O-CB 3.26Å; V232-S235 WeakPolarHBondContact O-CB 3.07Å; V232-S235 PolarHBondContact O-N 3.04Å; L233-S235 PolarHBondContact O-N 2.79Å; S235-S237 VanDerWaalsContact C-N 3.32Å; S235-S237 PolarHBondContact O-N 3.14Å |
| 236 | T | 42.4 | Very low | 64.8 | Low | 137 Ų | 137 | 64.8 Ų | 64.8 | 84% | 0.84 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 41.2 | -171.7 | 41.8 | 0 | 0 | 0 | 0 | 115.1 | N234 | N234-T236 PolarHBondContact O-N 3.47Š|
| 237 | S | 54.5 | Low | 65.2 | Low | 36 Ų | 36 | 67.1 Ų | 67.1 | 25% | 0.252 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 104.8 | 174.1 | -173.5 | 0 | 0 | 0 | 0 | 114.3 | L233 S235 C239 G240 G264 | L233-S237 VanDerWaalsContact O-CA 3.23Å; L233-S237 WeakPolarHBondContact O-CA 3.47Å; L233-S237 PolarHBondContact O-N 3.2Å; S235-S237 VanDerWaalsContact C-N 3.32Å; S235-S237 PolarHBondContact O-N 3.14Å; S237-C239 PolarHBondContact O-N 3.05Å; S237-C239 PolarHBondContact OG-N 3.09Å; S237-G240 WeakPolarHBondContact O-CA 3.36Å; S237-G240 PolarHBondContact O-N 2.84Å; S237-G240 VanDerWaalsContact OG-CA 3.31Å; S237-G240 WeakPolarHBondContact OG-CA 3.34Å; S237-G240 PolarHBondContact OG-N 3.3Å; S237-G264 PolarHBondContact OG-O 3.26Å |
| 238 | I | 64.8 | Low | 65.8 | Low | 65 Ų | 65 | 66.2 Ų | 66.2 | 33% | 0.333 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -52.8 | -46.4 | 168.6 | -63.3 | 173.3 | 0 | 0 | 0 | 109.5 | V232 G240 L242 I259 | V232-I238 HydrophobicContact CG1-CD1 3.95Å; I238-G240 PolarHBondContact O-N 3.35Å; I238-L242 HydrophobicContact CG2-CD1 4.35Å; I238-L242 VanDerWaalsContact O-CD1 3.31Å; I238-L242 WeakPolarHBondContact O-CD1 3.34Å; I238-L242 WeakPolarHBondContact O-CG 3.38Å; I238-I259 HydrophobicContact CD1-CD1 3.62Å; I238-I259 HydrophobicContact CG2-CD1 4.05Å |
| 239 | C | 77 | Confident | 66.1 | Low | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.007 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -78 | 2.7 | 176.2 | -57.8 | 0 | 0 | 0 | 0 | 114.6 | S237 N241 L242 C261 S265 A266 | S237-C239 PolarHBondContact O-N 3.05Å; S237-C239 PolarHBondContact OG-N 3.09Å; C239-N241 PolarHBondContact O-N 2.82Å; C239-N241 VanDerWaalsContact O-N 3.12Å; C239-L242 PolarHBondContact O-N 3.03Å; C239-L242 VanDerWaalsContact O-N 3.12Å; C239-C261 VanDerWaalsContact CA-SG 3.55Å; C239-C261 HydrophobicContact CB-CB 3.67Å; C239-C261 WeakPolarHBondContact CB-SG 3.44Å; C239-C261 WeakPolarHBondContact SG-CA 3.06Å; C239-C261 WeakPolarHBondContact SG-CB 3.06Å; C239-C261 CovalentContact SG-SG 2.03Å; C239-C261 PolarHBondContact SG-SG 2.97Å; C239-S265 PolarHBondContact SG-O 3.22Å; C239-A266 HydrophobicContact CB-CB 4.46Å; C239-A266 WeakPolarHBondContact SG-CB 3.18Å |
| 240 | G | 66.7 | Low | 66.4 | Low | 40 Ų | 40 | 69.7 Ų | 69.7 | 41% | 0.412 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -68.5 | -17.1 | -166.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | S237 I238 | S237-G240 WeakPolarHBondContact O-CA 3.36Å; S237-G240 PolarHBondContact O-N 2.84Å; S237-G240 VanDerWaalsContact OG-CA 3.31Å; S237-G240 WeakPolarHBondContact OG-CA 3.34Å; S237-G240 PolarHBondContact OG-N 3.3Å; I238-G240 PolarHBondContact O-N 3.35Å |
| 241 | N | 67.9 | Low | 66.8 | Low | 166 Ų | 166 | 70.8 Ų | 70.8 | 89% | 0.888 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -131.2 | 9.8 | 168.7 | -56.3 | -79.4 | 0 | 0 | 0 | 112.2 | C239 | C239-N241 PolarHBondContact O-N 2.82Å; C239-N241 VanDerWaalsContact O-N 3.12Å |
| 242 | L | 75.7 | Confident | 67.6 | Low | 69 Ų | 69 | 67.4 Ų | 67.4 | 36% | 0.361 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -90.4 | 155 | 176.3 | -59.4 | 177.9 | 0 | 0 | 0 | 109.7 | I238 C239 Y247 | I238-L242 HydrophobicContact CG2-CD1 4.35Å; I238-L242 VanDerWaalsContact O-CD1 3.31Å; I238-L242 WeakPolarHBondContact O-CD1 3.34Å; I238-L242 WeakPolarHBondContact O-CG 3.38Å; C239-L242 PolarHBondContact O-N 3.03Å; C239-L242 VanDerWaalsContact O-N 3.12Å; L242-Y247 HydrophobicContact CB-CD2 4.47Å; L242-Y247 HydrophobicContact CB-CE2 3.81Å; L242-Y247 HydrophobicContact CD1-CD1 4.07Å; L242-Y247 HydrophobicContact CD1-CD2 3.79Å; L242-Y247 HydrophobicContact CD1-CE1 4.23Å; L242-Y247 HydrophobicContact CD1-CE2 3.95Å; L242-Y247 HydrophobicContact CD1-CG 3.85Å; L242-Y247 HydrophobicContact CD2-CE1 4.09Å; L242-Y247 HydrophobicContact CG-CE2 4.37Å |
| 243 | T | 80.5 | Confident | 68.1 | Low | 100 Ų | 100 | 67.8 Ų | 67.8 | 61% | 0.613 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -76.2 | 173.2 | 170.1 | 40 | 0 | 0 | 0 | 0 | 110.6 | Y247 C261 | T243-Y247 PolarHBondContact N-OH 2.87Å; T243-Y247 PolarHBondContact OG1-OH 2.84Å; T243-C261 WeakPolarHBondContact O-CB 3.06Å |
| 244 | N | 82.1 | Confident | 69.5 | Low | 88 Ų | 88 | 69 Ų | 69 | 47% | 0.471 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -65.1 | 141.4 | 167.5 | -70.5 | 38.6 | 0 | 0 | 0 | 109.9 | C261 N263 | N244-C261 CarbonylContact C-O 3.6Å; N244-C261 WeakPolarHBondContact CA-O 3.4Å; N244-N263 PolarHBondContact OD1-N 2.88Å |
| 245 | G | 82.6 | Confident | 71 | Confident | 23 Ų | 23 | 64.4 Ų | 64.4 | 24% | 0.237 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 139.5 | 169.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y247 Q260 C261 | G245-Y247 VanDerWaalsContact O-CD2 3.24Å; G245-Y247 WeakPolarHBondContact O-CD2 3.25Å; G245-Y247 WeakPolarHBondContact O-CE2 3.39Å; G245-Q260 PolarHBondContact O-OE1 3.3Å; G245-C261 PolarHBondContact N-O 3.16Å; G245-C261 WeakPolarHBondContact O-CB 3.45Å; G245-C261 PolarHBondContact O-N 2.8Å |
| 246 | G | 83 | Confident | 72.5 | Confident | 16 Ų | 16 | 61.9 Ų | 61.9 | 17% | 0.165 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 150.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I259 Q260 N282 | G246-I259 CarbonylContact C-O 3.57Å; G246-I259 WeakPolarHBondContact CA-O 3.32Å; G246-Q260 VanDerWaalsContact N-OE1 3.12Å; G246-N282 WeakPolarHBondContact O-CB 3.46Å |
| 247 | Y | 84.5 | Confident | 74.4 | Confident | 50 Ų | 50 | 56.4 Ų | 56.4 | 20% | 0.196 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 132.9 | 175.2 | -66.4 | -81.3 | 0 | 0 | 0 | 110.2 | L242 T243 G245 I259 C261 N282 | L242-Y247 HydrophobicContact CB-CD2 4.47Å; L242-Y247 HydrophobicContact CB-CE2 3.81Å; L242-Y247 HydrophobicContact CD1-CD1 4.07Å; L242-Y247 HydrophobicContact CD1-CD2 3.79Å; L242-Y247 HydrophobicContact CD1-CE1 4.23Å; L242-Y247 HydrophobicContact CD1-CE2 3.95Å; L242-Y247 HydrophobicContact CD1-CG 3.85Å; L242-Y247 HydrophobicContact CD2-CE1 4.09Å; L242-Y247 HydrophobicContact CG-CE2 4.37Å; T243-Y247 PolarHBondContact N-OH 2.87Å; T243-Y247 PolarHBondContact OG1-OH 2.84Å; G245-Y247 VanDerWaalsContact O-CD2 3.24Å; G245-Y247 WeakPolarHBondContact O-CD2 3.25Å; G245-Y247 WeakPolarHBondContact O-CE2 3.39Å; Y247-I259 PolarHBondContact N-O 3.43Å; Y247-I259 PolarHBondContact O-N 3.08Å; Y247-C261 HydrophobicContact CD2-CB 3.98Å; Y247-C261 WeakPolarHBondContact CD2-SG 3.12Å; Y247-C261 HydrophobicContact CE2-CB 3.86Å; Y247-N282 WeakPolarHBondContact CA-OD1 3.2Å |
| 248 | S | 79.9 | Confident | 75.8 | Confident | 14 Ų | 14 | 55.9 Ų | 55.9 | 10% | 0.098 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 145.1 | 177 | -175.5 | 0 | 0 | 0 | 0 | 112.3 | S250 I277 N282 | S248-S250 WeakPolarHBondContact CB-O 3.34Å; S248-S250 PolarHBondContact O-N 2.92Å; S248-S250 PolarHBondContact OG-N 3Å; S248-S250 PolarHBondContact OG-O 3.32Å; S248-I277 WeakPolarHBondContact OG-CG2 3.35Å; S248-N282 PolarHBondContact N-OD1 3.17Å |
| 249 | L | 67.8 | Low | 76.8 | Confident | 73 Ų | 73 | 53.3 Ų | 53.3 | 38% | 0.382 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -58.1 | -27.5 | 171.1 | -74.7 | 167.6 | 0 | 0 | 0 | 113 | L191 I259 L268 | L191-L249 HydrophobicContact CD2-CD1 4.13Å; L249-I259 HydrophobicContact CD2-CD1 3.88Å; L249-I259 HydrophobicContact CD2-CG1 3.75Å; L249-I259 HydrophobicContact CG-CG1 4.48Å; L249-L268 HydrophobicContact CD1-CD1 4.08Å; L249-L268 HydrophobicContact CD2-CD1 3.96Å; L249-L268 HydrophobicContact CG-CD1 4.26Å |
| 250 | S | 68.4 | Low | 77.1 | Confident | 47 Ų | 47 | 55.4 Ų | 55.4 | 33% | 0.329 | 32% | 0.32 | S | S | . | . | trans | -155.1 | 139.7 | 175.4 | 178.9 | 0 | 0 | 0 | 0 | 109.2 | S248 D252 L253 | S248-S250 WeakPolarHBondContact CB-O 3.34Å; S248-S250 PolarHBondContact O-N 2.92Å; S248-S250 PolarHBondContact OG-N 3Å; S248-S250 PolarHBondContact OG-O 3.32Å; S250-D252 PolarHBondContact O-N 2.76Å; S250-D252 PolarHBondContact OG-N 3.2Å; S250-L253 PolarHBondContact O-N 2.03Å | ||
| 251 | N | 67.9 | Low | 78 | Confident | 119 Ų | 119 | 53.5 Ų | 53.5 | 64% | 0.636 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -16.1 | 172.1 | -72.9 | 39.8 | 0 | 0 | 0 | 112.9 | P279 | N251-P279 HydrophobicContact CB-CB 4.45Å; N251-P279 WeakPolarHBondContact O-CB 3.28Å; N251-P279 WeakPolarHBondContact O-CG 3.18Å |
| 252 | D | 68.7 | Low | 78.6 | Confident | 88 Ų | 88 | 49.6 Ų | 49.6 | 47% | 0.471 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | 24.1 | -171.1 | -43.5 | -38.3 | 0 | 0 | 0 | 113.7 | P72 S250 I292 | P72-D252 HydrophobicContact CB-CB 3.3Å; S250-D252 PolarHBondContact O-N 2.76Å; S250-D252 PolarHBondContact OG-N 3.2Å; D252-I292 VanDerWaalsContact CA-CD1 3.43Å; D252-I292 HydrophobicContact CB-CD1 4.33Å |
| 253 | L | 66.4 | Low | 78.6 | Confident | 81 Ų | 81 | 53 Ų | 53 | 42% | 0.424 | 30% | 0.296 | S | S | . | . | trans | -125.7 | 120 | 179.7 | -170.8 | 66.9 | 0 | 0 | 0 | 111.5 | S250 T255 | S250-L253 PolarHBondContact O-N 2.03Å; L253-T255 HydrophobicContact CB-CG2 4.18Å; L253-T255 HydrophobicContact CD2-CG2 3.81Å; L253-T255 HydrophobicContact CG-CG2 3.9Å; L253-T255 PolarHBondContact O-N 2.92Å; L253-T255 VanDerWaalsContact O-N 3.14Å | ||
| 254 | C | 81.3 | Confident | 78.3 | Confident | 50 Ų | 50 | 49.7 Ų | 49.7 | 34% | 0.338 | 28% | 0.281 | S | S | . | . | trans | -71.1 | 96.9 | 161.8 | 178 | 0 | 0 | 0 | 0 | 108 | Y276 I292 C293 | C254-Y276 HydrophobicContact CB-CD1 4.43Å; C254-Y276 WeakPolarHBondContact SG-CD1 3.41Å; C254-Y276 VanDerWaalsContact SG-CE1 3.54Å; C254-I292 HydrophobicContact CB-CG2 4.35Å; C254-C293 HydrophobicContact CB-CB 4.13Å; C254-C293 WeakPolarHBondContact CB-SG 3.38Å; C254-C293 VanDerWaalsContact SG-CA 3.59Å; C254-C293 WeakPolarHBondContact SG-CB 3.38Å; C254-C293 CovalentContact SG-SG 2.04Å; C254-C293 PolarHBondContact SG-SG 2.81Å | ||
| 255 | T | 79 | Confident | 77.7 | Confident | 8 Ų | 8 | 48.6 Ų | 48.6 | 5% | 0.049 | 28% | 0.28 | C | S | . | . | trans | -137.1 | 146.8 | -177.6 | 172.1 | 0 | 0 | 0 | 0 | 111.9 | L253 Y257 Y276 I277 | L253-T255 HydrophobicContact CB-CG2 4.18Å; L253-T255 HydrophobicContact CD2-CG2 3.81Å; L253-T255 HydrophobicContact CG-CG2 3.9Å; L253-T255 PolarHBondContact O-N 2.92Å; L253-T255 VanDerWaalsContact O-N 3.14Å; T255-Y257 VanDerWaalsContact C-N 3.29Å; T255-Y257 VanDerWaalsContact CG2-O 3.27Å; T255-Y257 WeakPolarHBondContact CG2-O 3.34Å; T255-Y257 WeakPolarHBondContact OG1-CB 3.41Å; T255-Y257 WeakPolarHBondContact OG1-CD2 3.46Å; T255-Y257 PolarHBondContact OG1-N 2.86Å; T255-Y257 PolarHBondContact OG1-O 3.28Å; T255-Y276 VanDerWaalsContact C-CD1 3.41Å; T255-I277 HydrophobicContact CG2-CG2 3.79Å; T255-I277 WeakPolarHBondContact O-CG2 3.22Å; T255-I277 PolarHBondContact O-N 2.91Å | ||
| 256 | P | 80.6 | Confident | 77.3 | Confident | 28 Ų | 28 | 48.2 Ų | 48.2 | 18% | 0.182 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -77.3 | -15.7 | 165.7 | 33.1 | -35.3 | 0 | 0 | 0 | 112.4 | C271 L275 | P256-C271 HydrophobicContact CB-CB 4.49Å; P256-C271 WeakPolarHBondContact O-CB 3.03Å; P256-C271 PolarHBondContact O-N 3.46Å; P256-C271 PolarHBondContact O-SG 2.86Å; P256-L275 WeakPolarHBondContact CB-O 3.46Å |
| 257 | Y | 82.2 | Confident | 76.8 | Confident | 22 Ų | 22 | 51.6 Ų | 51.6 | 9% | 0.086 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 131 | -177.7 | -55.4 | -79.2 | 0 | 0 | 0 | 112.6 | L191 P192 T255 E269 M270 | L191-Y257 HydrophobicContact CD1-CD2 4.27Å; L191-Y257 HydrophobicContact CD1-CE2 4.29Å; L191-Y257 HydrophobicContact CD2-CD1 4.15Å; L191-Y257 HydrophobicContact CD2-CD2 3.88Å; L191-Y257 HydrophobicContact CD2-CE2 4.42Å; L191-Y257 HydrophobicContact CD2-CG 3.76Å; P192-Y257 HydrophobicContact CG-CD1 4.32Å; P192-Y257 HydrophobicContact CG-CE1 3.43Å; P192-Y257 VanDerWaalsContact CG-CE1 3.43Å; T255-Y257 VanDerWaalsContact C-N 3.29Å; T255-Y257 VanDerWaalsContact CG2-O 3.27Å; T255-Y257 WeakPolarHBondContact CG2-O 3.34Å; T255-Y257 WeakPolarHBondContact OG1-CB 3.41Å; T255-Y257 WeakPolarHBondContact OG1-CD2 3.46Å; T255-Y257 PolarHBondContact OG1-N 2.86Å; T255-Y257 PolarHBondContact OG1-O 3.28Å; Y257-E269 WeakPolarHBondContact CA-O 3.49Å; Y257-M270 HydrophobicContact CD1-CG 3.45Å; Y257-M270 VanDerWaalsContact CD1-CG 3.45Å; Y257-M270 HydrophobicContact CD1-SD 4.23Å; Y257-M270 HydrophobicContact CE1-CE 4.2Å; Y257-M270 HydrophobicContact CE1-CG 3.35Å; Y257-M270 HydrophobicContact CE1-SD 3.48Å; Y257-M270 WeakPolarHBondContact CE1-SD 3.31Å |
| 258 | F | 85 | Confident | 76.5 | Confident | 26 Ų | 26 | 50.3 Ų | 50.3 | 11% | 0.114 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 158.1 | 177.9 | 72.5 | -87.7 | 0 | 0 | 0 | 112.5 | Q260 E269 I277 | F258-Q260 HydrophobicContact CE2-CB 4.1Å; F258-E269 HydrophobicContact CD1-CB 4.23Å; F258-E269 HydrophobicContact CD2-CB 4.43Å; F258-E269 HydrophobicContact CE1-CB 3.72Å; F258-E269 HydrophobicContact CE2-CB 3.95Å; F258-E269 HydrophobicContact CE2-CG 4.34Å; F258-E269 HydrophobicContact CZ-CB 3.57Å; F258-E269 HydrophobicContact CZ-CG 4.24Å; F258-E269 PolarHBondContact N-O 3.33Å; F258-E269 PolarHBondContact O-N 2.03Å; F258-I277 HydrophobicContact CB-CB 4Å; F258-I277 HydrophobicContact CB-CD1 3.74Å; F258-I277 HydrophobicContact CB-CG1 3.69Å; F258-I277 HydrophobicContact CB-CG2 4.26Å; F258-I277 HydrophobicContact CD1-CD1 4.08Å; F258-I277 HydrophobicContact CD2-CD1 4.33Å; F258-I277 HydrophobicContact CG-CD1 3.81Å; F258-I277 HydrophobicContact CG-CG1 4.32Å |
| 259 | I | 84.9 | Confident | 76.4 | Confident | 10 Ų | 10 | 53.3 Ų | 53.3 | 5% | 0.051 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 111.9 | 174.5 | -63.1 | 177.1 | 0 | 0 | 0 | 109.3 | I238 G246 Y247 L249 C261 A266 F267 | I238-I259 HydrophobicContact CD1-CD1 3.62Å; I238-I259 HydrophobicContact CG2-CD1 4.05Å; G246-I259 CarbonylContact C-O 3.57Å; G246-I259 WeakPolarHBondContact CA-O 3.32Å; Y247-I259 PolarHBondContact N-O 3.43Å; Y247-I259 PolarHBondContact O-N 3.08Å; L249-I259 HydrophobicContact CD2-CD1 3.88Å; L249-I259 HydrophobicContact CD2-CG1 3.75Å; L249-I259 HydrophobicContact CG-CG1 4.48Å; I259-C261 PolarHBondContact O-N 2.93Å; I259-A266 HydrophobicContact CG2-CB 3.85Å; I259-F267 CarbonylContact C-O 3.47Å; I259-F267 WeakPolarHBondContact CA-O 3.41Å |
| 260 | Q | 84.1 | Confident | 76.9 | Confident | 45 Ų | 45 | 54.1 Ų | 54.1 | 21% | 0.21 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 118.3 | 164.8 | 173.2 | 65.6 | -3.5 | 0 | 0 | 109 | G245 G246 F258 E262 F267 E269 | G245-Q260 PolarHBondContact O-OE1 3.3Å; G246-Q260 VanDerWaalsContact N-OE1 3.12Å; F258-Q260 HydrophobicContact CE2-CB 4.1Å; Q260-E262 HydrophobicContact CG-CG 4.13Å; Q260-F267 HydrophobicContact CB-CB 4.35Å; Q260-F267 PolarHBondContact N-O 2.9Å; Q260-F267 PolarHBondContact O-N 2.65Å; Q260-E269 HydrophobicContact CB-CG 3.53Å; Q260-E269 HydrophobicContact CG-CG 4.44Å |
| 261 | C | 85.6 | Confident | 77.6 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.007 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 130.4 | 170.5 | -72.2 | 0 | 0 | 0 | 0 | 110.6 | C239 T243 N244 G245 Y247 I259 S265 | C239-C261 VanDerWaalsContact CA-SG 3.55Å; C239-C261 HydrophobicContact CB-CB 3.67Å; C239-C261 WeakPolarHBondContact CB-SG 3.44Å; C239-C261 WeakPolarHBondContact SG-CA 3.06Å; C239-C261 WeakPolarHBondContact SG-CB 3.06Å; C239-C261 CovalentContact SG-SG 2.03Å; C239-C261 PolarHBondContact SG-SG 2.97Å; T243-C261 WeakPolarHBondContact O-CB 3.06Å; N244-C261 CarbonylContact C-O 3.6Å; N244-C261 WeakPolarHBondContact CA-O 3.4Å; G245-C261 PolarHBondContact N-O 3.16Å; G245-C261 WeakPolarHBondContact O-CB 3.45Å; G245-C261 PolarHBondContact O-N 2.8Å; Y247-C261 HydrophobicContact CD2-CB 3.98Å; Y247-C261 WeakPolarHBondContact CD2-SG 3.12Å; Y247-C261 HydrophobicContact CE2-CB 3.86Å; I259-C261 PolarHBondContact O-N 2.93Å; C261-S265 WeakPolarHBondContact CA-O 3.31Å |
| 262 | E | 79.6 | Confident | 77.9 | Confident | 84 Ų | 84 | 50.2 Ų | 50.2 | 39% | 0.393 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 122 | 165.7 | -54.1 | -155.8 | 149.7 | 0 | 0 | 112 | Q260 G264 S265 F267 | Q260-E262 HydrophobicContact CG-CG 4.13Å; E262-G264 PolarHBondContact O-N 3.32Å; E262-S265 PolarHBondContact N-O 3.02Å; E262-S265 WeakPolarHBondContact O-CA 3.12Å; E262-S265 WeakPolarHBondContact O-CB 3.46Å; E262-S265 PolarHBondContact O-N 3.38Å; E262-F267 HydrophobicContact CB-CE2 4.08Å; E262-F267 HydrophobicContact CG-CD2 4.38Å; E262-F267 HydrophobicContact CG-CE2 4.24Å |
| 263 | N | 76.4 | Confident | 77.9 | Confident | 141 Ų | 141 | 54 Ų | 54 | 75% | 0.754 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 24.5 | 172.7 | -57.3 | -80.3 | 0 | 0 | 0 | 114.4 | N244 | N244-N263 PolarHBondContact OD1-N 2.88Š|
| 264 | G | 74.7 | Confident | 78.1 | Confident | 29 Ų | 29 | 52.9 Ų | 52.9 | 30% | 0.299 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.3 | -0.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | S237 E262 | S237-G264 PolarHBondContact OG-O 3.26Å; E262-G264 PolarHBondContact O-N 3.32Å |
| 265 | S | 68.2 | Low | 78.1 | Confident | 65 Ų | 65 | 52.5 Ų | 52.5 | 46% | 0.455 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 151.1 | 165.5 | -62.9 | 0 | 0 | 0 | 0 | 110.4 | C239 C261 E262 | C239-S265 PolarHBondContact SG-O 3.22Å; C261-S265 WeakPolarHBondContact CA-O 3.31Å; E262-S265 PolarHBondContact N-O 3.02Å; E262-S265 WeakPolarHBondContact O-CA 3.12Å; E262-S265 WeakPolarHBondContact O-CB 3.46Å; E262-S265 PolarHBondContact O-N 3.38Å |
| 266 | A | 75 | Confident | 78.5 | Confident | 15 Ų | 15 | 55.1 Ų | 55.1 | 12% | 0.124 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 124.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | L233 C239 I259 | L233-A266 HydrophobicContact CD2-CB 3.6Å; C239-A266 HydrophobicContact CB-CB 4.46Å; C239-A266 WeakPolarHBondContact SG-CB 3.18Å; I259-A266 HydrophobicContact CG2-CB 3.85Å |
| 267 | F | 73.3 | Confident | 78.9 | Confident | 87 Ų | 87 | 53.8 Ų | 53.8 | 38% | 0.382 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 150.9 | 175.8 | -55.8 | -89.7 | 0 | 0 | 0 | 108.4 | I259 Q260 E262 | I259-F267 CarbonylContact C-O 3.47Å; I259-F267 WeakPolarHBondContact CA-O 3.41Å; Q260-F267 HydrophobicContact CB-CB 4.35Å; Q260-F267 PolarHBondContact N-O 2.9Å; Q260-F267 PolarHBondContact O-N 2.65Å; E262-F267 HydrophobicContact CB-CE2 4.08Å; E262-F267 HydrophobicContact CG-CD2 4.38Å; E262-F267 HydrophobicContact CG-CE2 4.24Å |
| 268 | L | 78.1 | Confident | 79.1 | Confident | 24 Ų | 24 | 53.5 Ų | 53.5 | 13% | 0.126 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 117.9 | 175.6 | 179.6 | 72 | 0 | 0 | 0 | 108.6 | C190 L191 I212 I223 L249 | C190-L268 WeakPolarHBondContact O-CD2 3.45Å; L191-L268 HydrophobicContact CD2-CD2 4.1Å; I212-L268 HydrophobicContact CG2-CD2 4Å; I223-L268 HydrophobicContact CD1-CB 3.66Å; L249-L268 HydrophobicContact CD1-CD1 4.08Å; L249-L268 HydrophobicContact CD2-CD1 3.96Å; L249-L268 HydrophobicContact CG-CD1 4.26Å |
| 269 | E | 76.4 | Confident | 78.9 | Confident | 76 Ų | 76 | 52.8 Ų | 52.8 | 36% | 0.355 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 165.1 | -177.4 | -58.7 | -55.5 | 152.2 | 0 | 0 | 111.3 | Y257 F258 Q260 | Y257-E269 WeakPolarHBondContact CA-O 3.49Å; F258-E269 HydrophobicContact CD1-CB 4.23Å; F258-E269 HydrophobicContact CD2-CB 4.43Å; F258-E269 HydrophobicContact CE1-CB 3.72Å; F258-E269 HydrophobicContact CE2-CB 3.95Å; F258-E269 HydrophobicContact CE2-CG 4.34Å; F258-E269 HydrophobicContact CZ-CB 3.57Å; F258-E269 HydrophobicContact CZ-CG 4.24Å; F258-E269 PolarHBondContact N-O 3.33Å; F258-E269 PolarHBondContact O-N 2.03Å; Q260-E269 HydrophobicContact CB-CG 3.53Å; Q260-E269 HydrophobicContact CG-CG 4.44Å |
| 270 | M | 79.5 | Confident | 78.8 | Confident | 90 Ų | 90 | 57.8 Ų | 57.8 | 44% | 0.443 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 140.1 | 168.4 | -74.1 | 178.9 | 59.4 | 0 | 0 | 110 | P192 Y257 | P192-M270 HydrophobicContact CG-SD 4.25Å; Y257-M270 HydrophobicContact CD1-CG 3.45Å; Y257-M270 VanDerWaalsContact CD1-CG 3.45Å; Y257-M270 HydrophobicContact CD1-SD 4.23Å; Y257-M270 HydrophobicContact CE1-CE 4.2Å; Y257-M270 HydrophobicContact CE1-CG 3.35Å; Y257-M270 HydrophobicContact CE1-SD 3.48Å; Y257-M270 WeakPolarHBondContact CE1-SD 3.31Å |
| 271 | C | 83.8 | Confident | 79 | Confident | 6 Ų | 6 | 59.5 Ų | 59.5 | 4% | 0.041 | 34% | 0.343 | C | S | . | . | trans | -63.1 | 137.3 | 160.9 | -70.9 | 0 | 0 | 0 | 0 | 109.8 | P256 L275 C284 | P256-C271 HydrophobicContact CB-CB 4.49Å; P256-C271 WeakPolarHBondContact O-CB 3.03Å; P256-C271 PolarHBondContact O-N 3.46Å; P256-C271 PolarHBondContact O-SG 2.86Å; C271-L275 HydrophobicContact CB-CB 4.06Å; C271-L275 VanDerWaalsContact CB-O 3.23Å; C271-L275 WeakPolarHBondContact CB-O 3.31Å; C271-C284 WeakPolarHBondContact CA-SG 3.49Å; C271-C284 HydrophobicContact CB-CB 3.63Å; C271-C284 WeakPolarHBondContact CB-SG 3.03Å; C271-C284 WeakPolarHBondContact SG-CB 3.35Å; C271-C284 CovalentContact SG-SG 2.04Å; C271-C284 PolarHBondContact SG-SG 3.41Å | ||
| 272 | P | 72.9 | Confident | 79.1 | Confident | 79 Ų | 79 | 61.4 Ų | 61.4 | 51% | 0.513 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -68.6 | 156.3 | 178.2 | 28.6 | -34 | 0 | 0 | 0 | 111.9 | G274 L275 | P272-G274 PolarHBondContact O-N 3.09Å; P272-G274 VanDerWaalsContact O-N 3.14Å; P272-L275 HydrophobicContact CG-CD1 4.34Å; P272-L275 WeakPolarHBondContact O-CB 3.48Å; P272-L275 WeakPolarHBondContact O-CG 3.47Å; P272-L275 PolarHBondContact O-N 3.2Å |
| 273 | D | 69.2 | Low | 79.4 | Confident | 168 Ų | 168 | 62.6 Ų | 62.6 | 90% | 0.898 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 36.9 | 58 | 164.3 | -61.8 | -24.5 | 0 | 0 | 0 | 116.9 | L275 | D273-L275 PolarHBondContact O-N 3.18Š|
| 274 | G | 69.5 | Low | 80.1 | Confident | 56 Ų | 56 | 57.4 Ų | 57.4 | 58% | 0.577 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | 2.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | P272 Y276 | P272-G274 PolarHBondContact O-N 3.09Å; P272-G274 VanDerWaalsContact O-N 3.14Å; G274-Y276 VanDerWaalsContact O-CD2 3.27Å; G274-Y276 WeakPolarHBondContact O-CD2 3.44Å; G274-Y276 WeakPolarHBondContact O-CE2 3.34Å |
| 275 | L | 83.2 | Confident | 80.7 | Confident | 42 Ų | 42 | 57.1 Ų | 57.1 | 22% | 0.22 | 33% | 0.33 | C | S | . | . | trans | -70.7 | 156.5 | 172.1 | -57.1 | 178.9 | 0 | 0 | 0 | 111.4 | P256 C271 P272 D273 C284 A285 T286 | P256-L275 WeakPolarHBondContact CB-O 3.46Å; C271-L275 HydrophobicContact CB-CB 4.06Å; C271-L275 VanDerWaalsContact CB-O 3.23Å; C271-L275 WeakPolarHBondContact CB-O 3.31Å; P272-L275 HydrophobicContact CG-CD1 4.34Å; P272-L275 WeakPolarHBondContact O-CB 3.48Å; P272-L275 WeakPolarHBondContact O-CG 3.47Å; P272-L275 PolarHBondContact O-N 3.2Å; D273-L275 PolarHBondContact O-N 3.18Å; L275-C284 HydrophobicContact CB-CB 4.08Å; L275-C284 HydrophobicContact CD1-CB 4.24Å; L275-A285 CarbonylContact C-O 3.47Å; L275-A285 WeakPolarHBondContact CA-O 3.35Å; L275-T286 HydrophobicContact CD2-CG2 4.13Å | ||
| 276 | Y | 87.3 | Confident | 81.4 | Confident | 63 Ų | 63 | 56.2 Ų | 56.2 | 25% | 0.247 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 145 | -178.3 | -81.2 | -107.6 | 0 | 0 | 0 | 109.8 | C254 T255 G274 D278 C284 A285 P287 V290 | C254-Y276 HydrophobicContact CB-CD1 4.43Å; C254-Y276 WeakPolarHBondContact SG-CD1 3.41Å; C254-Y276 VanDerWaalsContact SG-CE1 3.54Å; T255-Y276 VanDerWaalsContact C-CD1 3.41Å; G274-Y276 VanDerWaalsContact O-CD2 3.27Å; G274-Y276 WeakPolarHBondContact O-CD2 3.44Å; G274-Y276 WeakPolarHBondContact O-CE2 3.34Å; Y276-D278 PolarHBondContact O-N 2.94Å; Y276-C284 WeakPolarHBondContact O-CA 3.47Å; Y276-A285 PolarHBondContact N-O 3.21Å; Y276-A285 PolarHBondContact O-N 2.93Å; Y276-P287 HydrophobicContact CD2-CB 4.06Å; Y276-P287 HydrophobicContact CD2-CG 4.32Å; Y276-P287 HydrophobicContact CE2-CB 4.42Å; Y276-V290 WeakPolarHBondContact O-CG2 3.45Å |
| 277 | I | 87.1 | Confident | 81.5 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 121.6 | 175.7 | -164 | 73.3 | 0 | 0 | 0 | 109 | S248 T255 F258 P279 | S248-I277 WeakPolarHBondContact OG-CG2 3.35Å; T255-I277 HydrophobicContact CG2-CG2 3.79Å; T255-I277 WeakPolarHBondContact O-CG2 3.22Å; T255-I277 PolarHBondContact O-N 2.91Å; F258-I277 HydrophobicContact CB-CB 4Å; F258-I277 HydrophobicContact CB-CD1 3.74Å; F258-I277 HydrophobicContact CB-CG1 3.69Å; F258-I277 HydrophobicContact CB-CG2 4.26Å; F258-I277 HydrophobicContact CD1-CD1 4.08Å; F258-I277 HydrophobicContact CD2-CD1 4.33Å; F258-I277 HydrophobicContact CG-CD1 3.81Å; F258-I277 HydrophobicContact CG-CG1 4.32Å; I277-P279 VanDerWaalsContact O-CD 3.3Å; I277-P279 WeakPolarHBondContact O-CD 3.31Å |
| 278 | D | 87.5 | Confident | 81.8 | Confident | 15 Ų | 15 | 59.4 Ų | 59.4 | 8% | 0.08 | 34% | 0.339 | C | S | . | . | trans | -74.8 | 117.7 | 166.2 | 165.4 | 30.5 | 0 | 0 | 0 | 108.8 | Y276 T280 T281 N282 I283 V290 | Y276-D278 PolarHBondContact O-N 2.94Å; D278-T280 VanDerWaalsContact CG-OG1 3.27Å; D278-T280 PolarHBondContact O-N 2.93Å; D278-T280 VanDerWaalsContact O-N 3.15Å; D278-T280 PolarHBondContact OD1-N 2.92Å; D278-T280 PolarHBondContact OD1-OG1 3.06Å; D278-T280 PolarHBondContact OD2-OG1 2.69Å; D278-T281 WeakPolarHBondContact CB-OG1 3.19Å; D278-T281 VanDerWaalsContact OD2-CB 3.26Å; D278-T281 WeakPolarHBondContact OD2-CB 2.99Å; D278-T281 VanDerWaalsContact OD2-CG2 3.27Å; D278-T281 WeakPolarHBondContact OD2-CG2 3.02Å; D278-T281 PolarHBondContact OD2-N 3.22Å; D278-T281 PolarHBondContact OD2-OG1 2.76Å; D278-N282 WeakPolarHBondContact O-CA 3.37Å; D278-N282 PolarHBondContact O-N 2.76Å; D278-I283 PolarHBondContact N-O 3.41Å; D278-V290 HydrophobicContact CB-CG1 4.43Å; D278-V290 HydrophobicContact CB-CG2 4.02Å | ||
| 279 | P | 81.6 | Confident | 82.1 | Confident | 11 Ų | 11 | 63.5 Ų | 63.5 | 7% | 0.071 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -15.7 | 177.6 | 24.7 | -33.1 | 0 | 0 | 0 | 114.5 | N251 I277 N282 I292 | N251-P279 HydrophobicContact CB-CB 4.45Å; N251-P279 WeakPolarHBondContact O-CB 3.28Å; N251-P279 WeakPolarHBondContact O-CG 3.18Å; I277-P279 VanDerWaalsContact O-CD 3.3Å; I277-P279 WeakPolarHBondContact O-CD 3.31Å; P279-N282 PolarHBondContact O-ND2 3.13Å; P279-I292 HydrophobicContact CG-CG2 4.04Å |
| 280 | T | 82.9 | Confident | 82.4 | Confident | 115 Ų | 115 | 59.9 Ų | 59.9 | 71% | 0.706 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -39.5 | -178.2 | 66.8 | 0 | 0 | 0 | 0 | 113.9 | D278 | D278-T280 VanDerWaalsContact CG-OG1 3.27Å; D278-T280 PolarHBondContact O-N 2.93Å; D278-T280 VanDerWaalsContact O-N 3.15Å; D278-T280 PolarHBondContact OD1-N 2.92Å; D278-T280 PolarHBondContact OD1-OG1 3.06Å; D278-T280 PolarHBondContact OD2-OG1 2.69Å |
| 281 | T | 87 | Confident | 82.2 | Confident | 82 Ų | 82 | 61.4 Ų | 61.4 | 50% | 0.503 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -25.2 | 171.4 | 58.4 | 0 | 0 | 0 | 0 | 113.6 | D278 I283 | D278-T281 WeakPolarHBondContact CB-OG1 3.19Å; D278-T281 VanDerWaalsContact OD2-CB 3.26Å; D278-T281 WeakPolarHBondContact OD2-CB 2.99Å; D278-T281 VanDerWaalsContact OD2-CG2 3.27Å; D278-T281 WeakPolarHBondContact OD2-CG2 3.02Å; D278-T281 PolarHBondContact OD2-N 3.22Å; D278-T281 PolarHBondContact OD2-OG1 2.76Å; T281-I283 VanDerWaalsContact C-N 3.29Å; T281-I283 PolarHBondContact OG1-N 2.89Å |
| 282 | N | 87.5 | Confident | 81.7 | Confident | 40 Ų | 40 | 63.8 Ų | 63.8 | 21% | 0.214 | 36% | 0.362 | C | S | . | . | trans | 58.4 | 38.2 | -168.5 | -54.5 | -90.2 | 0 | 0 | 0 | 113.3 | G246 Y247 S248 D278 P279 | G246-N282 WeakPolarHBondContact O-CB 3.46Å; Y247-N282 WeakPolarHBondContact CA-OD1 3.2Å; S248-N282 PolarHBondContact N-OD1 3.17Å; D278-N282 WeakPolarHBondContact O-CA 3.37Å; D278-N282 PolarHBondContact O-N 2.76Å; P279-N282 PolarHBondContact O-ND2 3.13Å | ||
| 283 | I | 87.2 | Confident | 81.9 | Confident | 110 Ų | 110 | 61.8 Ų | 61.8 | 56% | 0.564 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -115.6 | 145.6 | 172.9 | -60.2 | 174.3 | 0 | 0 | 0 | 108.2 | D278 T281 A285 | D278-I283 PolarHBondContact N-O 3.41Å; T281-I283 VanDerWaalsContact C-N 3.29Å; T281-I283 PolarHBondContact OG1-N 2.89Å; I283-A285 PolarHBondContact O-N 2.84Å |
| 284 | C | 90.1 | Very high | 81.9 | Confident | 31 Ų | 31 | 57.1 Ų | 57.1 | 21% | 0.209 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 120.9 | 171.7 | -63.3 | 0 | 0 | 0 | 0 | 109.8 | C271 L275 Y276 | C271-C284 WeakPolarHBondContact CA-SG 3.49Å; C271-C284 HydrophobicContact CB-CB 3.63Å; C271-C284 WeakPolarHBondContact CB-SG 3.03Å; C271-C284 WeakPolarHBondContact SG-CB 3.35Å; C271-C284 CovalentContact SG-SG 2.04Å; C271-C284 PolarHBondContact SG-SG 3.41Å; L275-C284 HydrophobicContact CB-CB 4.08Å; L275-C284 HydrophobicContact CD1-CB 4.24Å; Y276-C284 WeakPolarHBondContact O-CA 3.47Å |
| 285 | A | 87.7 | Confident | 81.3 | Confident | 23 Ų | 23 | 57.7 Ų | 57.7 | 19% | 0.19 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 172.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | L275 Y276 I283 D289 V290 | L275-A285 CarbonylContact C-O 3.47Å; L275-A285 WeakPolarHBondContact CA-O 3.35Å; Y276-A285 PolarHBondContact N-O 3.21Å; Y276-A285 PolarHBondContact O-N 2.93Å; I283-A285 PolarHBondContact O-N 2.84Å; A285-D289 HydrophobicContact CB-CB 4Å; A285-V290 HydrophobicContact CB-CG2 4.09Å |
| 286 | T | 83.3 | Confident | 79.4 | Confident | 47 Ų | 47 | 57.9 Ų | 57.9 | 29% | 0.288 | 33% | 0.333 | S | S | . | . | trans | -63.9 | 152.2 | 177.8 | 71 | 0 | 0 | 0 | 0 | 110.6 | L275 E288 D289 V290 | L275-T286 HydrophobicContact CD2-CG2 4.13Å; T286-E288 PolarHBondContact O-N 3.02Å; T286-E288 VanDerWaalsContact O-N 3.12Å; T286-E288 PolarHBondContact OG1-N 3.33Å; T286-D289 PolarHBondContact O-N 3.04Å; T286-D289 PolarHBondContact OG1-N 3.09Å; T286-D289 PolarHBondContact OG1-OD2 3.19Å; T286-V290 WeakPolarHBondContact O-CG2 3.49Å; T286-V290 PolarHBondContact O-N 2.89Å | ||
| 287 | P | 75.4 | Confident | 76.8 | Confident | 41 Ų | 41 | 57.5 Ų | 57.5 | 27% | 0.266 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -16.5 | 172.2 | 25 | -31.6 | 0 | 0 | 0 | 112.8 | Y276 C293 | Y276-P287 HydrophobicContact CD2-CB 4.06Å; Y276-P287 HydrophobicContact CD2-CG 4.32Å; Y276-P287 HydrophobicContact CE2-CB 4.42Å; P287-C293 HydrophobicContact CB-CB 3.98Å; P287-C293 WeakPolarHBondContact O-CB 3.47Å |
| 288 | E | 80.6 | Confident | 73.8 | Confident | 128 Ų | 128 | 64.6 Ų | 64.6 | 60% | 0.598 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -35.9 | 169.8 | -69.7 | 69.8 | -156.1 | 0 | 0 | 113.6 | T286 V294 | T286-E288 PolarHBondContact O-N 3.02Å; T286-E288 VanDerWaalsContact O-N 3.12Å; T286-E288 PolarHBondContact OG1-N 3.33Å; E288-V294 VanDerWaalsContact O-CG2 3.27Å; E288-V294 WeakPolarHBondContact O-CG2 3.31Å |
| 289 | D | 84.1 | Confident | 70.8 | Confident | 109 Ų | 109 | 70.8 Ų | 70.8 | 58% | 0.583 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -37.4 | 178.2 | -66.8 | -56.6 | 0 | 0 | 0 | 112.4 | A285 T286 Q291 | A285-D289 HydrophobicContact CB-CB 4Å; T286-D289 PolarHBondContact O-N 3.04Å; T286-D289 PolarHBondContact OG1-N 3.09Å; T286-D289 PolarHBondContact OG1-OD2 3.19Å; D289-Q291 PolarHBondContact O-N 3Å |
| 290 | V | 82.4 | Confident | 68.2 | Low | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 45% | 0.449 | C | S | . | . | S | Bend | trans | -65.7 | 103.4 | 178.1 | 177.2 | 0 | 0 | 0 | 0 | 109.4 | Y276 D278 A285 T286 I292 C293 V294 | Y276-V290 WeakPolarHBondContact O-CG2 3.45Å; D278-V290 HydrophobicContact CB-CG1 4.43Å; D278-V290 HydrophobicContact CB-CG2 4.02Å; A285-V290 HydrophobicContact CB-CG2 4.09Å; T286-V290 WeakPolarHBondContact O-CG2 3.49Å; T286-V290 PolarHBondContact O-N 2.89Å; V290-I292 HydrophobicContact CG1-CG2 3.63Å; V290-I292 PolarHBondContact O-N 2.79Å; V290-C293 HydrophobicContact CB-CB 4.07Å; V290-C293 HydrophobicContact CG1-CB 4.15Å; V290-C293 WeakPolarHBondContact CG1-SG 3.18Å; V290-C293 WeakPolarHBondContact O-CA 3.49Å; V290-C293 WeakPolarHBondContact O-CB 3.35Å; V290-C293 PolarHBondContact O-N 3.32Å; V290-V294 WeakPolarHBondContact O-CG2 3.26Å; V290-V294 PolarHBondContact O-N 2.65Å |
| 291 | Q | 75.1 | Confident | 65.4 | Low | 122 Ų | 122 | 79 Ų | 79 | 57% | 0.57 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -54.1 | -31.6 | -172 | -79.4 | -66.8 | -73.5 | 0 | 0 | 114.7 | D289 S295 | D289-Q291 PolarHBondContact O-N 3Å; Q291-S295 WeakPolarHBondContact O-CB 3.09Å; Q291-S295 PolarHBondContact O-N 3.24Å; Q291-S295 VanDerWaalsContact O-N 3.07Å; Q291-S295 PolarHBondContact O-OG 3.12Å |
| 292 | I | 74.4 | Confident | 62.7 | Low | 57 Ų | 57 | 80.8 Ų | 80.8 | 29% | 0.292 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -77.1 | -19.2 | 177.2 | -170.3 | 157.9 | 0 | 0 | 0 | 113.9 | D252 C254 P279 V290 | D252-I292 VanDerWaalsContact CA-CD1 3.43Å; D252-I292 HydrophobicContact CB-CD1 4.33Å; C254-I292 HydrophobicContact CB-CG2 4.35Å; P279-I292 HydrophobicContact CG-CG2 4.04Å; V290-I292 HydrophobicContact CG1-CG2 3.63Å; V290-I292 PolarHBondContact O-N 2.79Å |
| 293 | C | 76 | Confident | 59.7 | Low | 36 Ų | 36 | 83.7 Ų | 83.7 | 24% | 0.243 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -81.9 | -32.9 | 174.9 | -63.8 | 0 | 0 | 0 | 0 | 112.1 | C254 P287 V290 | C254-C293 HydrophobicContact CB-CB 4.13Å; C254-C293 WeakPolarHBondContact CB-SG 3.38Å; C254-C293 VanDerWaalsContact SG-CA 3.59Å; C254-C293 WeakPolarHBondContact SG-CB 3.38Å; C254-C293 CovalentContact SG-SG 2.04Å; C254-C293 PolarHBondContact SG-SG 2.81Å; P287-C293 HydrophobicContact CB-CB 3.98Å; P287-C293 WeakPolarHBondContact O-CB 3.47Å; V290-C293 HydrophobicContact CB-CB 4.07Å; V290-C293 HydrophobicContact CG1-CB 4.15Å; V290-C293 WeakPolarHBondContact CG1-SG 3.18Å; V290-C293 WeakPolarHBondContact O-CA 3.49Å; V290-C293 WeakPolarHBondContact O-CB 3.35Å; V290-C293 PolarHBondContact O-N 3.32Å |
| 294 | V | 70.7 | Confident | 56.8 | Low | 70 Ų | 70 | 82.2 Ų | 82.2 | 42% | 0.424 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -92.8 | -21.2 | 177 | -91.4 | 0 | 0 | 0 | 0 | 116.3 | E288 V290 G296 | E288-V294 VanDerWaalsContact O-CG2 3.27Å; E288-V294 WeakPolarHBondContact O-CG2 3.31Å; V290-V294 WeakPolarHBondContact O-CG2 3.26Å; V290-V294 PolarHBondContact O-N 2.65Å; V294-G296 PolarHBondContact O-N 2.8Å |
| 295 | S | 56.4 | Low | 53.5 | Low | 69 Ų | 69 | 86.2 Ų | 86.2 | 48% | 0.483 | 53% | 0.531 | S | S | . | . | trans | -78.8 | 76.3 | -166.9 | -70.6 | 0 | 0 | 0 | 0 | 115.9 | Q291 G297 | Q291-S295 WeakPolarHBondContact O-CB 3.09Å; Q291-S295 PolarHBondContact O-N 3.24Å; Q291-S295 VanDerWaalsContact O-N 3.07Å; Q291-S295 PolarHBondContact O-OG 3.12Å; S295-G297 PolarHBondContact O-N 2.88Å | ||
| 296 | G | 43.7 | Very low | 50.4 | Low | 45 Ų | 45 | 90.8 Ų | 90.8 | 46% | 0.464 | 56% | 0.557 | S | S | . | * | trans | -73.8 | 64.8 | 151.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V294 | V294-G296 PolarHBondContact O-N 2.8Š| ||
| 297 | G | 32.4 | Very low | 47.3 | Very low | 56 Ų | 56 | 94.2 Ų | 94.2 | 58% | 0.577 | 58% | 0.578 | S | S | * | * | trans | -127.4 | 116 | -157.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | S295 | S295-G297 PolarHBondContact O-N 2.88Š| ||
| 298 | N | 23.3 | Very low | 44.8 | Very low | 149 Ų | 149 | 97.4 Ų | 97.4 | 80% | 0.797 | 60% | 0.601 | S | S | * | * | trans | -7.7 | 120.4 | 161.2 | -67.4 | -52.8 | 0 | 0 | 0 | 120 | ||||
| 299 | I | 25.7 | Very low | 42.1 | Very low | 145 Ų | 145 | 97.2 Ų | 97.2 | 74% | 0.744 | 61% | 0.614 | S | S | * | * | trans | -103.9 | 95.8 | 141 | -59.8 | -178.7 | 0 | 0 | 0 | 108.3 | P86 | P86-I299 HydrophobicContact CG-CD1 3.98Š| ||
| 300 | T | 25.5 | Very low | 39.2 | Very low | 117 Ų | 117 | 96.6 Ų | 96.6 | 72% | 0.718 | 62% | 0.624 | S | S | * | * | trans | -70.5 | 148.2 | 170.4 | 40.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 301 | Q | 25.5 | Very low | 36.4 | Very low | 182 Ų | 182 | 104.7 Ų | 104.7 | 85% | 0.85 | 66% | 0.664 | S | S | * | * | trans | -55.4 | 134.4 | -168.2 | -59 | 171.6 | 14.6 | 0 | 0 | 114.8 | ||||
| 302 | S | 30.5 | Very low | 33.9 | Very low | 119 Ų | 119 | 106.7 Ų | 106.7 | 83% | 0.832 | 67% | 0.673 | S | S | * | * | trans | -137.3 | 93.9 | 150.7 | -171.4 | 0 | 0 | 0 | 0 | 110 | G304 | S302-G304 VanDerWaalsContact C-N 3.28Å; S302-G304 PolarHBondContact O-N 2.85Å | ||
| 303 | S | 23.2 | Very low | 31.4 | Very low | 102 Ų | 102 | 110.6 Ų | 110.6 | 71% | 0.713 | 70% | 0.7 | S | S | * | * | trans | -77.7 | 70.5 | -175.5 | -57.2 | 0 | 0 | 0 | 0 | 112.7 | T305 | S303-T305 VanDerWaalsContact C-N 3.25Å; S303-T305 PolarHBondContact O-N 3.35Å; S303-T305 PolarHBondContact O-OG1 2.89Å | ||
| 304 | G | 26.8 | Very low | 28.9 | Very low | 79 Ų | 79 | 112.2 Ų | 112.2 | 81% | 0.814 | 72% | 0.723 | S | S | * | * | trans | -72.2 | 58 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | S302 | S302-G304 VanDerWaalsContact C-N 3.28Å; S302-G304 PolarHBondContact O-N 2.85Å | ||
| 305 | T | 21.2 | Very low | 26.6 | Very low | 114 Ų | 114 | 115.1 Ų | 115.1 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | trans | -69 | 127.2 | -179.8 | -41.2 | 0 | 0 | 0 | 0 | 111.8 | S303 | S303-T305 VanDerWaalsContact C-N 3.25Å; S303-T305 PolarHBondContact O-N 3.35Å; S303-T305 PolarHBondContact O-OG1 2.89Å | ||
| 306 | T | 21.3 | Very low | 25 | Very low | 119 Ų | 119 | 117.2 Ų | 117.2 | 73% | 0.73 | 76% | 0.761 | S | S | * | * | 174.8 | 114.5 | 122.9 | 30.6 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 307 | T | 20.1 | Very low | 24 | Very low | 119 Ų | 119 | 120 Ų | 120 | 73% | 0.73 | 77% | 0.773 | S | S | * | * | trans | 58.3 | 121.4 | 133.6 | 60.4 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 308 | S | 23 | Very low | 23.5 | Very low | 108 Ų | 108 | 123.7 Ų | 123.7 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | 70.6 | 121.9 | 129.9 | -54.6 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 309 | S | 23.2 | Very low | 23.4 | Very low | 125 Ų | 125 | 123.3 Ų | 123.3 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | -167.9 | 167 | 63.4 | -64.7 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 310 | A | 23.4 | Very low | 23.3 | Very low | 96 Ų | 96 | 121.3 Ų | 121.3 | 79% | 0.793 | 79% | 0.787 | S | S | * | * | trans | -99.3 | 146.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 311 | M | 22.4 | Very low | 23.1 | Very low | 170 Ų | 170 | 122 Ų | 122 | 84% | 0.837 | 79% | 0.791 | S | S | * | * | trans | 174.8 | 149.1 | 150.1 | -100.5 | 178.2 | -172.6 | 0 | 0 | 110 | ||||
| 312 | Q | 23.5 | Very low | 23.1 | Very low | 164 Ų | 164 | 121.4 Ų | 121.4 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | cis | -158.5 | 164.3 | -20.6 | -135.8 | 174.4 | 20.7 | 0 | 0 | 111.2 | ||||
| 313 | T | 21.2 | Very low | 22.6 | Very low | 138 Ų | 138 | 126.1 Ų | 126.1 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | trans | -53.1 | 138.4 | -178.3 | 50.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 314 | G | 23.8 | Very low | 22.6 | Very low | 71 Ų | 71 | 128.7 Ų | 128.7 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | trans | -132.5 | 3 | -166.5 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 315 | S | 23 | Very low | 22.5 | Very low | 131 Ų | 131 | 130.8 Ų | 130.8 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | trans | 71.3 | 149.2 | 174.2 | -52.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 316 | S | 21.7 | Very low | 22.5 | Very low | 112 Ų | 112 | 132.4 Ų | 132.4 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | trans | -79.3 | 156.6 | 178.2 | -35 | 0 | 0 | 0 | 0 | 114 | ||||
| 317 | S | 22.5 | Very low | 22.8 | Very low | 104 Ų | 104 | 130.4 Ų | 130.4 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | -179.3 | 130.6 | 117.7 | 41.3 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 318 | T | 22.3 | Very low | 22.9 | Very low | 133 Ų | 133 | 131.6 Ų | 131.6 | 82% | 0.816 | 80% | 0.801 | S | S | * | * | trans | 58.6 | 127.2 | 146.2 | 54.2 | 0 | 0 | 0 | 0 | 122.1 | S320 | T318-S320 PolarHBondContact O-N 3.02Š| ||
| 319 | T | 21.4 | Very low | 22.9 | Very low | 142 Ų | 142 | 132 Ų | 132 | 87% | 0.871 | 80% | 0.804 | S | S | * | * | trans | -38.6 | 124.3 | 163.5 | -43.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 320 | S | 22.9 | Very low | 22.9 | Very low | 103 Ų | 103 | 129.9 Ų | 129.9 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | trans | -161.4 | 138.2 | 151.4 | -82.2 | 0 | 0 | 0 | 0 | 110.5 | T318 I322 | T318-S320 PolarHBondContact O-N 3.02Å; S320-I322 PolarHBondContact O-N 2.86Å | ||
| 321 | T | 22.5 | Very low | 22.8 | Very low | 131 Ų | 131 | 130.2 Ų | 130.2 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -52.9 | 123 | 173.1 | 51.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 322 | I | 25.3 | Very low | 22.7 | Very low | 170 Ų | 170 | 127.4 Ų | 127.4 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | trans | -68.5 | 147.9 | 179.3 | -65.6 | 177.2 | 0 | 0 | 0 | 109.9 | S320 | S320-I322 PolarHBondContact O-N 2.86Š| ||
| 323 | R | 20.8 | Very low | 22.5 | Very low | 218 Ų | 218 | 125.8 Ų | 125.8 | 82% | 0.823 | 79% | 0.793 | S | S | * | * | trans | -114.8 | 143.6 | 179.5 | -76.8 | 177.7 | 166.6 | -94.8 | -8.7 | 110.5 | ||||
| 324 | I | 22.1 | Very low | 22.5 | Very low | 156 Ų | 156 | 125 Ų | 125 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | trans | -50.7 | 133.2 | 170.5 | -59.9 | 167.7 | 0 | 0 | 0 | 110.5 | ||||
| 325 | P | 25.7 | Very low | 22.4 | Very low | 122 Ų | 122 | 127.5 Ų | 127.5 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | trans | -63 | 146.1 | 174.1 | -22.3 | 33.9 | 0 | 0 | 0 | 113 | ||||
| 326 | I | 21 | Very low | 22.3 | Very low | 149 Ų | 149 | 125.2 Ų | 125.2 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | trans | -103.2 | 106.7 | 178.7 | -61 | 175.6 | 0 | 0 | 0 | 110 | I328 | I326-I328 HydrophobicContact CG2-CG1 3.93Š| ||
| 327 | G | 27.1 | Very low | 22.3 | Very low | 77 Ų | 77 | 126.7 Ų | 126.7 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | trans | -74.2 | 147.2 | 159.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 328 | I | 22.2 | Very low | 22.2 | Very low | 144 Ų | 144 | 129.7 Ų | 129.7 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | trans | -138.1 | 121.8 | -172 | -47 | 169.9 | 0 | 0 | 0 | 110.6 | I326 | I326-I328 HydrophobicContact CG2-CG1 3.93Š| ||
| 329 | S | 22.6 | Very low | 22.1 | Very low | 115 Ų | 115 | 128.4 Ų | 128.4 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | 162.5 | 116.8 | 126.9 | -75.3 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 330 | G | 23.8 | Very low | 22.1 | Very low | 81 Ų | 81 | 128.9 Ų | 128.9 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | trans | 74.7 | 166.1 | 156.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 331 | S | 20.8 | Very low | 22 | Very low | 104 Ų | 104 | 128.3 Ų | 128.3 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | cis | -160.9 | 130.9 | -25 | -171.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 332 | T | 19.6 | Very low | 22 | Very low | 111 Ų | 111 | 127.9 Ų | 127.9 | 68% | 0.681 | 77% | 0.77 | S | S | * | * | trans | 49.3 | 123.1 | 151.2 | 50.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 333 | T | 19.3 | Very low | 22.3 | Very low | 130 Ų | 130 | 128.5 Ų | 128.5 | 80% | 0.798 | 77% | 0.769 | S | S | * | * | trans | 67 | 145.4 | 153.1 | 52.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 334 | T | 21.6 | Very low | 22.4 | Very low | 120 Ų | 120 | 123.9 Ų | 123.9 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | cis | -156.2 | 158.1 | 12 | -17.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 335 | T | 22 | Very low | 22.3 | Very low | 125 Ų | 125 | 119.5 Ų | 119.5 | 77% | 0.767 | 76% | 0.761 | S | S | * | * | trans | 65.4 | 118.2 | 165.8 | -12.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 336 | A | 21.7 | Very low | 22 | Very low | 83 Ų | 83 | 118.3 Ų | 118.3 | 69% | 0.686 | 76% | 0.761 | S | S | * | * | cis | 73.8 | 135 | 40 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 337 | I | 20.4 | Very low | 21.9 | Very low | 142 Ų | 142 | 118.6 Ų | 118.6 | 73% | 0.728 | 77% | 0.765 | S | S | * | * | cis | -163.7 | 154.2 | -12.1 | -128.3 | 164.6 | 0 | 0 | 0 | 109.7 | ||||
| 338 | Q | 21.7 | Very low | 21.6 | Very low | 167 Ų | 167 | 120.8 Ų | 120.8 | 78% | 0.78 | 76% | 0.762 | S | S | * | * | trans | 56.6 | 113.4 | 162.1 | -72.1 | 169.6 | -52.6 | 0 | 0 | 121.5 | ||||
| 339 | S | 20.2 | Very low | 21.7 | Very low | 106 Ų | 106 | 119.5 Ų | 119.5 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | 26.2 | 125.8 | 110.7 | -42.8 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 340 | N | 20.1 | Very low | 21.6 | Very low | 152 Ų | 152 | 122.2 Ų | 122.2 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | -175.2 | 150.8 | 108.4 | -117.8 | 32.4 | 0 | 0 | 0 | 115.9 | |||||
| 341 | S | 21.7 | Very low | 21.4 | Very low | 92 Ų | 92 | 123 Ų | 123 | 64% | 0.643 | 75% | 0.754 | S | S | * | * | trans | 53.4 | 117.3 | 142.3 | 65.6 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 342 | S | 21.4 | Very low | 21.5 | Very low | 121 Ų | 121 | 122.8 Ų | 122.8 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | 81.9 | 149.9 | 118.1 | -55.5 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 343 | Q | 32 | Very low | 21.5 | Very low | 184 Ų | 184 | 122.7 Ų | 122.7 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | trans | -44.4 | 154.5 | 167.1 | -114.2 | 172.8 | -40.4 | 0 | 0 | 115.1 | ||||
| 344 | P | 23.5 | Very low | 21.6 | Very low | 120 Ų | 120 | 121.8 Ų | 121.8 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | -129.6 | 174.2 | 74.8 | 38.9 | -25.8 | 0 | 0 | 0 | 112.7 | |||||
| 345 | G | 19.5 | Very low | 21.6 | Very low | 64 Ų | 64 | 122 Ų | 122 | 66% | 0.66 | 76% | 0.756 | S | S | * | * | 77.6 | 150.1 | 57.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 346 | A | 20.2 | Very low | 21.7 | Very low | 98 Ų | 98 | 125 Ų | 125 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | cis | 168.7 | 128.5 | -5.2 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 347 | N | 18.6 | Very low | 21.6 | Very low | 155 Ų | 155 | 125.4 Ų | 125.4 | 83% | 0.829 | 77% | 0.765 | S | S | * | * | trans | 73 | 159.7 | 155.2 | -144.4 | -10.3 | 0 | 0 | 0 | 121 | ||||
| 348 | T | 20.3 | Very low | 21.8 | Very low | 122 Ų | 122 | 127.7 Ų | 127.7 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | 70.5 | 143.5 | 180 | 68.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 349 | T | 24.2 | Very low | 21.7 | Very low | 117 Ų | 117 | 125.3 Ų | 125.3 | 72% | 0.718 | 77% | 0.774 | S | S | * | * | cis | -153 | 134.6 | 38.1 | -55.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 350 | E | 20.5 | Very low | 21.8 | Very low | 173 Ų | 173 | 125.9 Ų | 125.9 | 81% | 0.808 | 77% | 0.774 | S | S | * | * | trans | 22.7 | 145 | 152.3 | -52.2 | -177.3 | 171.8 | 0 | 0 | 125.3 | ||||
| 351 | S | 20.4 | Very low | 21.8 | Very low | 97 Ų | 97 | 125.1 Ų | 125.1 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | 95.5 | 114 | 125.1 | -92.9 | 0 | 0 | 0 | 0 | 124 | |||||
| 352 | S | 21.7 | Very low | 21.9 | Very low | 99 Ų | 99 | 127.3 Ų | 127.3 | 69% | 0.692 | 78% | 0.784 | S | S | * | * | 82 | 92.5 | 117.4 | -58.1 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 353 | S | 20.7 | Very low | 21.8 | Very low | 109 Ų | 109 | 126.9 Ų | 126.9 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | 50.6 | 121.3 | 123.1 | 67.8 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 354 | S | 22.3 | Very low | 21.4 | Very low | 111 Ų | 111 | 121.5 Ų | 121.5 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | -156.3 | 125.4 | 138.5 | -78 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 355 | V | 21.6 | Very low | 21.5 | Very low | 125 Ų | 125 | 125.3 Ų | 125.3 | 76% | 0.758 | 78% | 0.782 | S | S | * | * | 63.8 | 120.6 | 75.3 | 176.5 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 356 | E | 22.3 | Very low | 21.5 | Very low | 188 Ų | 188 | 129.1 Ų | 129.1 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | cis | -146.2 | 167.7 | 31 | -153.2 | 149.8 | -145.9 | 0 | 0 | 113.5 | ||||
| 357 | A | 20.9 | Very low | 21.8 | Very low | 91 Ų | 91 | 131.8 Ų | 131.8 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | -101.1 | 143.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 358 | Q | 23.4 | Very low | 21.9 | Very low | 191 Ų | 191 | 129.3 Ų | 129.3 | 89% | 0.893 | 78% | 0.783 | S | S | * | * | trans | -137.5 | 132.9 | 148.4 | -71.2 | -160.1 | 3.6 | 0 | 0 | 110.6 | ||||
| 359 | S | 19.7 | Very low | 22.1 | Very low | 116 Ų | 116 | 130 Ų | 130 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | trans | -106.4 | 133.8 | 169.3 | 54.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 360 | T | 23.2 | Very low | 22 | Very low | 119 Ų | 119 | 128.5 Ų | 128.5 | 73% | 0.73 | 78% | 0.78 | S | S | * | * | trans | -131.6 | 93.2 | 167.8 | 50.4 | 0 | 0 | 0 | 0 | 109.8 | V362 | T360-V362 PolarHBondContact O-N 3.24Š| ||
| 361 | T | 20.8 | Very low | 22 | Very low | 135 Ų | 135 | 128.9 Ų | 128.9 | 83% | 0.828 | 78% | 0.784 | S | S | * | * | trans | -61 | 112.4 | 162.4 | 48.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 362 | V | 23.2 | Very low | 22.1 | Very low | 138 Ų | 138 | 129.6 Ų | 129.6 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | trans | -102.2 | 97.8 | 162.9 | 179.7 | 0 | 0 | 0 | 0 | 107.3 | T360 G364 | T360-V362 PolarHBondContact O-N 3.24Å; V362-G364 PolarHBondContact O-N 3.14Å | ||
| 363 | S | 20.1 | Very low | 22.2 | Very low | 113 Ų | 113 | 130.3 Ų | 130.3 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | -86.1 | 107 | -177.6 | 56.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 364 | G | 22.6 | Very low | 22.4 | Very low | 71 Ų | 71 | 131.4 Ų | 131.4 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | trans | 85.7 | 127.8 | 154.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | V362 | V362-G364 PolarHBondContact O-N 3.14Š| ||
| 365 | E | 25.5 | Very low | 22.4 | Very low | 199 Ų | 199 | 131.4 Ų | 131.4 | 93% | 0.93 | 80% | 0.796 | S | S | * | * | trans | -135 | 123.5 | 140.8 | -132.1 | 166.7 | -161 | 0 | 0 | 108.4 | ||||
| 366 | N | 20.4 | Very low | 22.4 | Very low | 145 Ų | 145 | 129.5 Ų | 129.5 | 78% | 0.775 | 80% | 0.801 | S | S | * | * | trans | -77.1 | 135.2 | 176.8 | -74.6 | -26.8 | 0 | 0 | 0 | 109 | ||||
| 367 | N | 25.5 | Very low | 22.5 | Very low | 154 Ų | 154 | 124.6 Ų | 124.6 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | trans | -122.1 | 64.8 | 155.4 | -111.5 | -30.1 | 0 | 0 | 0 | 111.3 | I369 | N367-I369 PolarHBondContact O-N 3.38Š| ||
| 368 | S | 21.7 | Very low | 22.6 | Very low | 102 Ų | 102 | 125.2 Ų | 125.2 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | trans | -75.7 | 96.2 | 167.3 | -49.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 369 | I | 23.3 | Very low | 22.6 | Very low | 138 Ų | 138 | 125.3 Ų | 125.3 | 71% | 0.708 | 80% | 0.801 | S | S | * | * | trans | -99.3 | 82.5 | 167.1 | -56.9 | -175.4 | 0 | 0 | 0 | 109 | N367 M371 | N367-I369 PolarHBondContact O-N 3.38Å; I369-M371 PolarHBondContact O-N 2.89Å | ||
| 370 | A | 21.7 | Very low | 22.6 | Very low | 84 Ų | 84 | 123.3 Ų | 123.3 | 69% | 0.694 | 80% | 0.798 | S | S | * | * | trans | -79.9 | 95.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | S372 | A370-S372 PolarHBondContact O-N 2.87Š| ||
| 371 | M | 22.2 | Very low | 23.4 | Very low | 182 Ų | 182 | 123.6 Ų | 123.6 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | trans | -70.4 | 125.5 | 163.8 | -86.3 | -65.8 | -178.1 | 0 | 0 | 109.6 | I369 | I369-M371 PolarHBondContact O-N 2.89Š| ||
| 372 | S | 21.6 | Very low | 23.4 | Very low | 112 Ų | 112 | 122.5 Ų | 122.5 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | trans | -107 | 120.5 | -167.3 | -63.5 | 0 | 0 | 0 | 0 | 113 | A370 | A370-S372 PolarHBondContact O-N 2.87Š| ||
| 373 | S | 23.8 | Very low | 23.3 | Very low | 113 Ų | 113 | 120.7 Ų | 120.7 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | -161.1 | 143.1 | 153.5 | 79.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 374 | T | 24 | Very low | 23.4 | Very low | 132 Ų | 132 | 121.5 Ų | 121.5 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | cis | -135.4 | 159.9 | -5.2 | -55.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 375 | S | 23.4 | Very low | 23.5 | Very low | 112 Ų | 112 | 123.9 Ų | 123.9 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | trans | -75.2 | 137 | -176.3 | 56.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 376 | G | 21 | Very low | 23.2 | Very low | 84 Ų | 84 | 120.5 Ų | 120.5 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | 85.3 | 94.4 | 128 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 377 | G | 24.1 | Very low | 23.5 | Very low | 85 Ų | 85 | 121.9 Ų | 121.9 | 88% | 0.876 | 80% | 0.798 | S | S | * | * | trans | -126.4 | 127.5 | 154.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 378 | S | 24 | Very low | 23.2 | Very low | 105 Ų | 105 | 119.8 Ų | 119.8 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | -114.3 | 144 | -163.6 | 57 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 379 | E | 22.1 | Very low | 23.4 | Very low | 193 Ų | 193 | 123 Ų | 123 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | trans | 51.7 | 118.4 | 144.5 | -63.5 | -177.7 | 154.2 | 0 | 0 | 120.4 | ||||
| 380 | G | 20.8 | Very low | 23.4 | Very low | 74 Ų | 74 | 121.9 Ų | 121.9 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | 104.2 | 155.5 | 127.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 381 | P | 40.1 | Very low | 23.5 | Very low | 124 Ų | 124 | 125.3 Ų | 125.3 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | trans | -102 | 159.6 | -170.5 | 38.6 | -35.4 | 0 | 0 | 0 | 114.5 | ||||
| 382 | S | 19.7 | Very low | 23.5 | Very low | 112 Ų | 112 | 123.6 Ų | 123.6 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | trans | 140.2 | 164.1 | 134.2 | 67.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 383 | S | 22.4 | Very low | 23.6 | Very low | 100 Ų | 100 | 122.3 Ų | 122.3 | 70% | 0.699 | 80% | 0.795 | S | S | * | * | trans | 83.2 | 99.4 | 160.2 | 72.6 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 384 | T | 20.7 | Very low | 23.5 | Very low | 131 Ų | 131 | 123.3 Ų | 123.3 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | 49.5 | 118.7 | 111.8 | -49.6 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 385 | S | 26.2 | Very low | 23.5 | Very low | 121 Ų | 121 | 126 Ų | 126 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | -159 | 158 | 128.2 | 26.9 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 386 | T | 19.3 | Very low | 23.5 | Very low | 128 Ų | 128 | 125.4 Ų | 125.4 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -124.5 | 160.8 | -175.2 | 48.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 387 | I | 25.4 | Very low | 23.8 | Very low | 174 Ų | 174 | 130.3 Ų | 130.3 | 89% | 0.892 | 80% | 0.796 | S | S | * | * | trans | -171.4 | 159.1 | 139.4 | -99.4 | 152.5 | 0 | 0 | 0 | 109.4 | ||||
| 388 | S | 20.4 | Very low | 23.7 | Very low | 109 Ų | 109 | 129.7 Ų | 129.7 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | -139.6 | 160 | -158.1 | 48 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 389 | I | 25.8 | Very low | 23.8 | Very low | 169 Ų | 169 | 129.3 Ų | 129.3 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | trans | -142.1 | 151 | 163 | -45.4 | -180 | 0 | 0 | 0 | 109.2 | ||||
| 390 | T | 22 | Very low | 23.8 | Very low | 116 Ų | 116 | 126.7 Ų | 126.7 | 71% | 0.712 | 79% | 0.79 | S | S | * | * | trans | -82.5 | 177.8 | 173 | 41.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 391 | E | 24.1 | Very low | 23.7 | Very low | 155 Ų | 155 | 127.7 Ų | 127.7 | 72% | 0.724 | 79% | 0.785 | S | S | * | * | cis | -163.2 | 164.6 | 24.8 | -150.5 | 152 | -99.5 | 0 | 0 | 114.1 | ||||
| 392 | N | 23.2 | Very low | 22.8 | Very low | 146 Ų | 146 | 126.8 Ų | 126.8 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | trans | 77.6 | 119.2 | 163.8 | -71.6 | -33.9 | 0 | 0 | 0 | 123.1 | ||||
| 393 | A | 23.8 | Very low | 22.7 | Very low | 85 Ų | 85 | 128.7 Ų | 128.7 | 70% | 0.702 | 78% | 0.782 | S | S | * | * | trans | 54.5 | 94.2 | 145 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 394 | T | 21.4 | Very low | 22.6 | Very low | 134 Ų | 134 | 129.9 Ų | 129.9 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | 77.9 | 80.3 | 64.9 | 68.9 | 0 | 0 | 0 | 0 | 117 | |||||
| 395 | E | 24.1 | Very low | 22.6 | Very low | 189 Ų | 189 | 128.2 Ų | 128.2 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | -167 | 120.7 | 126 | -100.9 | 157.2 | -163.5 | 0 | 0 | 106.4 | |||||
| 396 | S | 23.5 | Very low | 22.3 | Very low | 100 Ų | 100 | 131.9 Ų | 131.9 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | 50.9 | 112.5 | 95.6 | -100.8 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 397 | E | 26.3 | Very low | 22.5 | Very low | 187 Ų | 187 | 129.4 Ų | 129.4 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | cis | -149.4 | 160.5 | 10 | -118.1 | 144.8 | -119.2 | 0 | 0 | 111.9 | ||||
| 398 | G | 21.8 | Very low | 22.2 | Very low | 71 Ų | 71 | 128.8 Ų | 128.8 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | trans | -144.8 | 112.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 399 | A | 27.6 | Very low | 22.2 | Very low | 97 Ų | 97 | 128.6 Ų | 128.6 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | trans | 45.7 | 112.9 | 162 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 400 | T | 20.8 | Very low | 21.9 | Very low | 139 Ų | 139 | 125.3 Ų | 125.3 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | trans | 172.5 | 157.4 | 151.4 | 30.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 401 | S | 19.7 | Very low | 21.8 | Very low | 95 Ų | 95 | 125.4 Ų | 125.4 | 66% | 0.664 | 77% | 0.768 | S | S | * | * | cis | -174.5 | -178.8 | -18 | -94.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 402 | S | 20.6 | Very low | 21.6 | Very low | 105 Ų | 105 | 124.3 Ų | 124.3 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | 70.7 | 128.6 | 160.2 | 29.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 403 | I | 18.3 | Very low | 21.5 | Very low | 152 Ų | 152 | 123.1 Ų | 123.1 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | cis | 90.7 | 113.5 | 44.4 | -66.9 | 164.6 | 0 | 0 | 0 | 112.9 | ||||
| 404 | T | 19.2 | Very low | 21.5 | Very low | 124 Ų | 124 | 127.7 Ų | 127.7 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | trans | 76.7 | 131.9 | 157.2 | 50.5 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 405 | S | 22.2 | Very low | 21.5 | Very low | 96 Ų | 96 | 126.9 Ų | 126.9 | 67% | 0.671 | 78% | 0.782 | S | S | * | * | trans | 83.5 | 111.9 | 131.3 | 62.8 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 406 | E | 20 | Very low | 21.6 | Very low | 198 Ų | 198 | 121.5 Ų | 121.5 | 93% | 0.925 | 78% | 0.778 | S | S | * | * | 45.6 | 118.8 | 125.9 | -57.7 | -177.5 | 162.4 | 0 | 0 | 119.6 | |||||
| 407 | G | 22.7 | Very low | 21.4 | Very low | 77 Ų | 77 | 123.2 Ų | 123.2 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | trans | -135.8 | -53.9 | -171 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 408 | N | 18.7 | Very low | 21.3 | Very low | 160 Ų | 160 | 119.8 Ų | 119.8 | 86% | 0.856 | 78% | 0.776 | S | S | * | * | trans | 58 | 151.3 | 170.7 | -160.7 | 10.6 | 0 | 0 | 0 | 119.9 | ||||
| 409 | V | 20.2 | Very low | 21.2 | Very low | 106 Ų | 106 | 122.5 Ų | 122.5 | 64% | 0.642 | 78% | 0.777 | S | S | * | * | trans | 83.8 | 88.7 | 163.3 | -162.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 410 | T | 19.2 | Very low | 21.1 | Very low | 100 Ų | 100 | 123 Ų | 123 | 61% | 0.613 | 78% | 0.775 | S | S | * | * | trans | 9.8 | 134.6 | 133.2 | 41.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 411 | S | 20.5 | Very low | 21.6 | Very low | 118 Ų | 118 | 124.2 Ų | 124.2 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | -177.2 | 140.8 | 115.6 | 40.1 | 0 | 0 | 0 | 0 | 116 | |||||
| 412 | T | 20.3 | Very low | 21.8 | Very low | 132 Ų | 132 | 130.9 Ų | 130.9 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -28.4 | 137.7 | 164.6 | 54.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 413 | S | 21.4 | Very low | 22.1 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | -177.3 | 157.6 | 115.8 | 40.1 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 414 | E | 22.6 | Very low | 22.4 | Very low | 181 Ų | 181 | 130 Ų | 130 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | -68.4 | 150.5 | 178.4 | -49.3 | 148.7 | 111.6 | 0 | 0 | 112.8 | ||||
| 415 | S | 22.7 | Very low | 22.7 | Very low | 117 Ų | 117 | 133 Ų | 133 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | 160.9 | 71.8 | 127.3 | -71.9 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 416 | G | 24.6 | Very low | 22.8 | Very low | 76 Ų | 76 | 137.6 Ų | 137.6 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | trans | 42.7 | -155.7 | 143.2 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 417 | V | 20.8 | Very low | 23.1 | Very low | 136 Ų | 136 | 135.2 Ų | 135.2 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | trans | 71.7 | 126.9 | 168.7 | 172.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 418 | T | 22.9 | Very low | 23.1 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | cis | -167.3 | 151.4 | -5.7 | 25.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 419 | V | 20.9 | Very low | 23.5 | Very low | 127 Ų | 127 | 135.9 Ų | 135.9 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | 61.7 | 122 | 137.7 | 175.3 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 420 | S | 25.2 | Very low | 23.6 | Very low | 108 Ų | 108 | 135.4 Ų | 135.4 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | -161.2 | 147.1 | 114.6 | -80.5 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 421 | D | 30.1 | Very low | 23.9 | Very low | 164 Ų | 164 | 135.6 Ų | 135.6 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | trans | 62.2 | 168.3 | 163.7 | -77.9 | -50.4 | 0 | 0 | 0 | 124.1 | ||||
| 422 | R | 24.7 | Very low | 24.1 | Very low | 236 Ų | 236 | 134.4 Ų | 134.4 | 89% | 0.891 | 80% | 0.802 | S | S | * | * | trans | -143 | 133.6 | -161.8 | -74.4 | 170.7 | 155.2 | 138.5 | -8.2 | 112.3 | ||||
| 423 | A | 27.7 | Very low | 24.1 | Very low | 105 Ų | 105 | 133.4 Ų | 133.4 | 87% | 0.868 | 80% | 0.8 | S | S | * | * | trans | -144.8 | 112.9 | 154.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 424 | I | 24.1 | Very low | 24.2 | Very low | 134 Ų | 134 | 133.7 Ų | 133.7 | 69% | 0.687 | 80% | 0.796 | S | S | * | * | trans | -74.4 | 127.5 | -169.9 | -63.8 | 166.1 | 0 | 0 | 0 | 111.8 | R426 | I424-R426 HydrophobicContact CG2-CG 3.8Š| ||
| 425 | M | 25.1 | Very low | 24.1 | Very low | 186 Ų | 186 | 131.7 Ų | 131.7 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | trans | -111.6 | 158 | 143.3 | -94.5 | -62.9 | -152.4 | 0 | 0 | 110.9 | ||||
| 426 | R | 25.3 | Very low | 24 | Very low | 193 Ų | 193 | 130.9 Ų | 130.9 | 73% | 0.728 | 79% | 0.791 | S | S | * | * | trans | -136.8 | 160.6 | -170.6 | -82.7 | -179.6 | -173.8 | -120.7 | 14 | 108.1 | I424 | I424-R426 HydrophobicContact CG2-CG 3.8Š| ||
| 427 | Q | 24.8 | Very low | 24 | Very low | 147 Ų | 147 | 132.7 Ų | 132.7 | 69% | 0.687 | 79% | 0.791 | S | S | * | * | cis | 178.3 | 136.4 | -12.3 | 167.9 | 179.7 | -9.5 | 0 | 0 | 106.8 | ||||
| 428 | A | 24.2 | Very low | 24.1 | Very low | 85 Ų | 85 | 135.1 Ų | 135.1 | 70% | 0.702 | 79% | 0.794 | S | S | * | * | trans | 68.7 | 162.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 429 | D | 26.3 | Very low | 24.2 | Very low | 166 Ų | 166 | 138.1 Ų | 138.1 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | cis | -137.1 | -179.2 | 9.2 | -121.6 | -42.7 | 0 | 0 | 0 | 112.3 | ||||
| 430 | A | 22.3 | Very low | 24.4 | Very low | 97 Ų | 97 | 137.9 Ų | 137.9 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | trans | -118.3 | 150.9 | -159.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 431 | A | 26.4 | Very low | 24.5 | Very low | 104 Ų | 104 | 137.7 Ų | 137.7 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | -161.1 | 121.2 | 154.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 432 | A | 24.6 | Very low | 24.6 | Very low | 93 Ų | 93 | 136 Ų | 136 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | 25.5 | 115.8 | 151.7 | 0 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 433 | S | 20.6 | Very low | 24.8 | Very low | 110 Ų | 110 | 130.7 Ų | 130.7 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | 33.6 | 142.7 | 123.4 | 70.3 | 0 | 0 | 0 | 0 | 122 | |||||
| 434 | V | 22.5 | Very low | 25 | Very low | 128 Ų | 128 | 128.8 Ų | 128.8 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | cis | -155 | 151.2 | 39.4 | 173.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 435 | T | 20.3 | Very low | 25.9 | Very low | 138 Ų | 138 | 127.5 Ų | 127.5 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | trans | -5.5 | 132.5 | 161.9 | -43.8 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 436 | S | 21 | Very low | 26.6 | Very low | 100 Ų | 100 | 125.9 Ų | 125.9 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | trans | -153.5 | 165.9 | 140.7 | 67 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 437 | S | 24.3 | Very low | 27.7 | Very low | 114 Ų | 114 | 119 Ų | 119 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | trans | 43.4 | 111.9 | 157.5 | 50.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 438 | Q | 23.7 | Very low | 29.1 | Very low | 187 Ų | 187 | 117.4 Ų | 117.4 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | trans | -106.8 | 127.3 | 159.8 | -81.7 | -172.9 | -108.1 | 0 | 0 | 110.1 | ||||
| 439 | E | 24.2 | Very low | 31 | Very low | 178 Ų | 178 | 114.8 Ų | 114.8 | 83% | 0.832 | 74% | 0.737 | S | S | * | * | trans | -79.7 | 145.6 | 158.2 | -67.2 | 165.5 | -178.8 | 0 | 0 | 109.3 | ||||
| 440 | T | 24.9 | Very low | 32.8 | Very low | 122 Ų | 122 | 111.4 Ų | 111.4 | 75% | 0.748 | 72% | 0.723 | S | S | * | * | trans | -108 | 74 | -177.9 | 45.8 | 0 | 0 | 0 | 0 | 112.4 | T442 | T440-T442 PolarHBondContact O-N 3.47Š| ||
| 441 | S | 27.4 | Very low | 34.6 | Very low | 105 Ų | 105 | 109.8 Ų | 109.8 | 73% | 0.734 | 70% | 0.7 | S | S | * | * | trans | -69.3 | 108.5 | 170 | -36.3 | 0 | 0 | 0 | 0 | 110.6 | S443 | S441-S443 PolarHBondContact O-N 3.43Š| ||
| 442 | T | 31.5 | Very low | 35.8 | Very low | 128 Ų | 128 | 108.3 Ų | 108.3 | 79% | 0.785 | 68% | 0.684 | S | S | * | * | trans | -95.6 | 86.7 | 177.7 | 51.8 | 0 | 0 | 0 | 0 | 111.8 | T440 | T440-T442 PolarHBondContact O-N 3.47Š| ||
| 443 | S | 29.5 | Very low | 36.7 | Very low | 124 Ų | 124 | 111.7 Ų | 111.7 | 87% | 0.867 | 68% | 0.684 | S | S | * | * | trans | -93.4 | 104.7 | 169.7 | 46.2 | 0 | 0 | 0 | 0 | 111.3 | S441 | S441-S443 PolarHBondContact O-N 3.43Š| ||
| 444 | G | 32.7 | Very low | 37 | Very low | 65 Ų | 65 | 115.1 Ų | 115.1 | 67% | 0.67 | 69% | 0.687 | S | S | * | * | trans | -159.8 | 129.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 445 | P | 41.7 | Very low | 37 | Very low | 108 Ų | 108 | 115.1 Ų | 115.1 | 70% | 0.701 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -74.9 | 164.6 | -179.5 | 32.5 | -36.1 | 0 | 0 | 0 | 112.2 | ||
| 446 | E | 40.3 | Very low | 37.2 | Very low | 152 Ų | 152 | 113.6 Ų | 113.6 | 71% | 0.71 | 68% | 0.683 | S | S | * | * | S | Bend | trans | 61.4 | 66.5 | 174.8 | -58.5 | 178.8 | -160.6 | 0 | 0 | 115.5 | E479 | E446-E479 WeakPolarHBondContact CA-OE2 3.45Å; E446-E479 PolarHBondContact N-OE2 3.04Å |
| 447 | G | 49 | Very low | 37.2 | Very low | 48 Ų | 48 | 115.5 Ų | 115.5 | 50% | 0.495 | 69% | 0.69 | S | S | . | * | trans | -173.2 | 153.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 448 | N | 54.9 | Low | 37.1 | Very low | 114 Ų | 114 | 115.5 Ų | 115.5 | 61% | 0.61 | 69% | 0.69 | S | S | * | * | trans | -70.6 | 140.7 | 169.7 | -71.9 | 13 | 0 | 0 | 0 | 111.1 | N481 | N448-N481 CarbonylContact C-O 3.59Å; N448-N481 WeakPolarHBondContact CA-O 3.35Å; N448-N481 VanDerWaalsContact CB-O 3.28Å; N448-N481 WeakPolarHBondContact CB-O 3.29Å; N448-N481 PolarHBondContact OD1-N 2.96Å | ||
| 449 | A | 62.2 | Low | 37 | Very low | 30 Ų | 30 | 115.9 Ų | 115.9 | 25% | 0.248 | 69% | 0.692 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.1 | 135.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | N481 V482 T483 | A449-N481 PolarHBondContact N-O 3.06Å; A449-V482 HydrophobicContact CB-CG1 4.29Å; A449-V482 HydrophobicContact CB-CG2 4.39Å; A449-V482 WeakPolarHBondContact O-CA 3.02Å; A449-T483 PolarHBondContact O-N 3.05Å |
| 450 | T | 64.4 | Low | 37 | Very low | 95 Ų | 95 | 113.2 Ų | 113.2 | 58% | 0.583 | 69% | 0.693 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -147 | 117 | 177.4 | -51.2 | 0 | 0 | 0 | 0 | 111.3 | T483 | T450-T483 VanDerWaalsContact CA-O 3.28Å; T450-T483 WeakPolarHBondContact CA-O 3.33Å |
| 451 | L | 59.7 | Low | 36.8 | Very low | 62 Ų | 62 | 115.4 Ų | 115.4 | 33% | 0.325 | 70% | 0.697 | S | S | . | * | trans | -101.3 | 134.7 | 169.4 | -177.1 | 63.2 | 0 | 0 | 0 | 109.6 | L473 T483 E486 | L451-L473 HydrophobicContact CB-CD2 3.78Å; L451-L473 HydrophobicContact CD2-CB 3.97Å; L451-L473 HydrophobicContact CD2-CD2 4.43Å; L451-T483 PolarHBondContact N-O 3.06Å; L451-E486 HydrophobicContact CD2-CB 4.21Å; L451-E486 HydrophobicContact CD2-CG 3.77Å; L451-E486 HydrophobicContact CG-CG 4.4Å | ||
| 452 | S | 53.4 | Low | 36.6 | Very low | 74 Ų | 74 | 119.1 Ų | 119.1 | 52% | 0.517 | 70% | 0.702 | S | S | . | * | trans | -164.8 | 145.1 | 176.9 | 48.2 | 0 | 0 | 0 | 0 | 110.3 | Q454 | S452-Q454 PolarHBondContact O-N 2.89Š| ||
| 453 | E | 42.3 | Very low | 36.1 | Very low | 164 Ų | 164 | 119.8 Ų | 119.8 | 77% | 0.766 | 70% | 0.701 | S | S | * | * | trans | -62.7 | 129.8 | -177.3 | -71.6 | -157.1 | 111.8 | 0 | 0 | 114 | T455 | E453-T455 PolarHBondContact O-N 2.79Å; E453-T455 VanDerWaalsContact O-N 3.12Å | ||
| 454 | Q | 27.7 | Very low | 35.7 | Very low | 182 Ų | 182 | 121.4 Ų | 121.4 | 85% | 0.85 | 70% | 0.695 | S | S | * | * | trans | -82.5 | 88.2 | 167.8 | -72.4 | -154.4 | -11.9 | 0 | 0 | 111.9 | S452 S456 | S452-Q454 PolarHBondContact O-N 2.89Å; Q454-S456 PolarHBondContact O-N 3.4Å; Q454-S456 PolarHBondContact O-OG 2.81Å | ||
| 455 | T | 22.8 | Very low | 35.1 | Very low | 128 Ų | 128 | 124.2 Ų | 124.2 | 79% | 0.785 | 70% | 0.699 | S | S | * | * | trans | -45.8 | 96.5 | 174.4 | 39 | 0 | 0 | 0 | 0 | 113.9 | E453 | E453-T455 PolarHBondContact O-N 2.79Å; E453-T455 VanDerWaalsContact O-N 3.12Å | ||
| 456 | S | 24.1 | Very low | 34.2 | Very low | 105 Ų | 105 | 124 Ų | 124 | 73% | 0.734 | 70% | 0.7 | S | S | * | * | trans | -103.7 | 99.2 | 176.4 | -69.1 | 0 | 0 | 0 | 0 | 110.3 | Q454 S458 | Q454-S456 PolarHBondContact O-N 3.4Å; Q454-S456 PolarHBondContact O-OG 2.81Å; S456-S458 PolarHBondContact O-N 2.65Å | ||
| 457 | T | 20.4 | Very low | 33.3 | Very low | 140 Ų | 140 | 122.2 Ų | 122.2 | 86% | 0.859 | 71% | 0.705 | S | S | * | * | trans | -70 | 115.2 | -173.7 | 56.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 458 | S | 23.4 | Very low | 32.1 | Very low | 114 Ų | 114 | 123.6 Ų | 123.6 | 80% | 0.797 | 72% | 0.719 | S | S | * | * | trans | -149.7 | 120.9 | 162.1 | 50.3 | 0 | 0 | 0 | 0 | 112.5 | S456 | S456-S458 PolarHBondContact O-N 2.65Š| ||
| 459 | E | 21.3 | Very low | 30.7 | Very low | 196 Ų | 196 | 124.4 Ų | 124.4 | 92% | 0.916 | 73% | 0.729 | S | S | * | * | trans | -80.1 | 125.5 | -179.1 | -51 | 164.1 | 126.4 | 0 | 0 | 111.7 | ||||
| 460 | S | 23.8 | Very low | 29.1 | Very low | 122 Ų | 122 | 131.4 Ų | 131.4 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | trans | -171.7 | 158 | 145.3 | 43.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 461 | M | 20.5 | Very low | 28 | Very low | 167 Ų | 167 | 131.1 Ų | 131.1 | 82% | 0.823 | 76% | 0.758 | S | S | * | * | trans | -101.2 | 159.2 | -173.9 | -68.5 | 169 | -77.2 | 0 | 0 | 112.9 | ||||
| 462 | E | 23 | Very low | 27.5 | Very low | 183 Ų | 183 | 131.3 Ų | 131.3 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | trans | 74.7 | 120.7 | 153.7 | -74.4 | 166.6 | -161.6 | 0 | 0 | 120.4 | ||||
| 463 | N | 21.4 | Very low | 28 | Very low | 143 Ų | 143 | 129.3 Ų | 129.3 | 77% | 0.765 | 75% | 0.748 | S | S | * | * | trans | 98.2 | 102.8 | 134.8 | -161.9 | 93.6 | 0 | 0 | 0 | 120.4 | ||||
| 464 | E | 21 | Very low | 29.1 | Very low | 157 Ų | 157 | 126.5 Ų | 126.5 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | trans | 49.6 | 113.9 | 145.3 | -61 | -68 | 126.6 | 0 | 0 | 120.3 | ||||
| 465 | T | 20 | Very low | 31 | Very low | 124 Ų | 124 | 119 Ų | 119 | 76% | 0.761 | 71% | 0.709 | S | S | * | * | 160.6 | 129.9 | 117.3 | -62.6 | 0 | 0 | 0 | 0 | 112 | |||||
| 466 | S | 21.7 | Very low | 33 | Very low | 103 Ų | 103 | 117.5 Ų | 117.5 | 72% | 0.72 | 70% | 0.704 | S | S | * | * | trans | 65.5 | 110.7 | 162.3 | -71.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 467 | S | 21.4 | Very low | 34.7 | Very low | 115 Ų | 115 | 115 Ų | 115 | 80% | 0.804 | 70% | 0.695 | S | S | * | * | trans | 43.2 | 95.1 | 137.1 | 62.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 468 | G | 24.4 | Very low | 36.6 | Very low | 78 Ų | 78 | 109.1 Ų | 109.1 | 80% | 0.804 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 157.1 | 143.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 469 | T | 26.1 | Very low | 38.5 | Very low | 131 Ų | 131 | 108.3 Ų | 108.3 | 80% | 0.804 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -98 | 132.4 | 173.3 | 46.4 | 0 | 0 | 0 | 0 | 109.9 | ||
| 470 | E | 28.1 | Very low | 40.9 | Very low | 176 Ų | 176 | 99.3 Ų | 99.3 | 82% | 0.822 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 162.5 | 165.3 | -69.3 | 112.8 | -168.8 | 0 | 0 | 111.3 | ||
| 471 | S | 41.5 | Very low | 43.5 | Very low | 89 Ų | 89 | 96.6 Ų | 96.6 | 62% | 0.622 | 58% | 0.58 | S | S | * | * | trans | -152.9 | 85.4 | -175.3 | -70.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 472 | S | 50.3 | Low | 46.3 | Very low | 66 Ų | 66 | 88.7 Ų | 88.7 | 46% | 0.462 | 54% | 0.541 | S | S | . | . | trans | -78.9 | 152.2 | 174.1 | 54.6 | 0 | 0 | 0 | 0 | 112.6 | E487 | S472-E487 WeakPolarHBondContact CA-O 3.43Š| ||
| 473 | L | 63.9 | Low | 49 | Very low | 32 Ų | 32 | 82.5 Ų | 82.5 | 17% | 0.168 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 101.4 | -180 | 178 | 51.1 | 0 | 0 | 0 | 111.6 | L451 T475 E487 M488 S489 | L451-L473 HydrophobicContact CB-CD2 3.78Å; L451-L473 HydrophobicContact CD2-CB 3.97Å; L451-L473 HydrophobicContact CD2-CD2 4.43Å; L473-T475 HydrophobicContact CD1-CG2 3.73Å; L473-T475 HydrophobicContact CG-CG2 4.03Å; L473-E487 PolarHBondContact N-O 3.28Å; L473-M488 HydrophobicContact CB-CE 3.9Å; L473-M488 HydrophobicContact CD2-CE 3.28Å; L473-M488 HydrophobicContact CG-CE 3.51Å; L473-M488 WeakPolarHBondContact O-CA 3.36Å; L473-S489 PolarHBondContact O-N 2.84Å; L473-S489 VanDerWaalsContact O-N 3.08Å |
| 474 | T | 64.7 | Low | 51.5 | Low | 106 Ų | 106 | 75.8 Ų | 75.8 | 65% | 0.65 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 132.1 | 170.2 | 51.2 | 0 | 0 | 0 | 0 | 111.5 | S489 | T474-S489 WeakPolarHBondContact CA-O 3.38Å |
| 475 | T | 67.7 | Low | 53.9 | Low | 23 Ų | 23 | 70.8 Ų | 70.8 | 14% | 0.141 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 155.6 | 178.4 | 61.4 | 0 | 0 | 0 | 0 | 113.1 | L473 S489 T490 S491 | L473-T475 HydrophobicContact CD1-CG2 3.73Å; L473-T475 HydrophobicContact CG-CG2 4.03Å; T475-S489 PolarHBondContact N-O 2.9Å; T475-T490 WeakPolarHBondContact OG1-CB 3.29Å; T475-T490 WeakPolarHBondContact OG1-CG2 3.41Å; T475-S491 PolarHBondContact O-N 2.81Å; T475-S491 PolarHBondContact O-OG 2.87Å; T475-S491 VanDerWaalsContact O-OG 3.05Å |
| 476 | S | 64.6 | Low | 56.2 | Low | 98 Ų | 98 | 68.5 Ų | 68.5 | 69% | 0.685 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146 | 126.9 | 178.5 | 59 | 0 | 0 | 0 | 0 | 111.1 | S491 | S476-S491 CarbonylContact C-O 3.55Å; S476-S491 WeakPolarHBondContact CA-O 3.45Å; S476-S491 VanDerWaalsContact CA-OG 3.28Å; S476-S491 WeakPolarHBondContact CA-OG 3.43Å; S476-S491 WeakPolarHBondContact CB-OG 3.46Å |
| 477 | G | 59.3 | Low | 58.4 | Low | 53 Ų | 53 | 67.8 Ų | 67.8 | 55% | 0.546 | 43% | 0.426 | S | S | . | . | S | Bend | trans | 68.5 | 48.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | E479 S491 S492 | G477-E479 PolarHBondContact O-N 3.18Å; G477-S491 PolarHBondContact N-O 2.81Å; G477-S492 WeakPolarHBondContact CA-O 3.34Å |
| 478 | A | 60.8 | Low | 60.8 | Low | 16 Ų | 16 | 62.5 Ų | 62.5 | 13% | 0.132 | 39% | 0.389 | C | S | . | . | trans | -86.1 | 100.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | G480 V482 S492 P493 E494 | A478-G480 PolarHBondContact O-N 3.34Å; A478-V482 HydrophobicContact CB-CG2 3.61Å; A478-S492 PolarHBondContact N-O 2.7Å; A478-P493 HydrophobicContact CB-CB 4.42Å; A478-P493 CarbonylContact O-C 3.48Å; A478-P493 WeakPolarHBondContact O-CA 3.48Å; A478-E494 PolarHBondContact O-N 2.78Å | ||
| 479 | E | 64 | Low | 63.3 | Low | 96 Ų | 96 | 61.3 Ų | 61.3 | 45% | 0.449 | 37% | 0.368 | S | S | . | . | trans | -67.4 | -17.4 | 179.9 | -61.7 | 171.9 | 154.6 | 0 | 0 | 114 | E446 G477 | E446-E479 WeakPolarHBondContact CA-OE2 3.45Å; E446-E479 PolarHBondContact N-OE2 3.04Å; G477-E479 PolarHBondContact O-N 3.18Å | ||
| 480 | G | 69.9 | Low | 65.6 | Low | 8 Ų | 8 | 55.3 Ų | 55.3 | 8% | 0.082 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -109.3 | 174.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A478 | A478-G480 PolarHBondContact O-N 3.34Š|
| 481 | N | 78.6 | Confident | 67.9 | Low | 65 Ų | 65 | 49.1 Ų | 49.1 | 35% | 0.348 | 31% | 0.307 | S | S | . | . | trans | -61.9 | 141.8 | 174.2 | -72 | 13.8 | 0 | 0 | 0 | 110.5 | N448 A449 N496 | N448-N481 CarbonylContact C-O 3.59Å; N448-N481 WeakPolarHBondContact CA-O 3.35Å; N448-N481 VanDerWaalsContact CB-O 3.28Å; N448-N481 WeakPolarHBondContact CB-O 3.29Å; N448-N481 PolarHBondContact OD1-N 2.96Å; A449-N481 PolarHBondContact N-O 3.06Å; N481-N496 CarbonylContact C-O 3.57Å; N481-N496 VanDerWaalsContact CA-O 3.24Å; N481-N496 WeakPolarHBondContact CA-O 3.35Å; N481-N496 WeakPolarHBondContact CB-O 3.47Å; N481-N496 PolarHBondContact OD1-N 2.84Å | ||
| 482 | V | 80.1 | Confident | 69.3 | Low | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 130.3 | 179.9 | -175.7 | 0 | 0 | 0 | 0 | 108.6 | A449 A478 M488 T490 P493 N496 V497 T498 | A449-V482 HydrophobicContact CB-CG1 4.29Å; A449-V482 HydrophobicContact CB-CG2 4.39Å; A449-V482 WeakPolarHBondContact O-CA 3.02Å; A478-V482 HydrophobicContact CB-CG2 3.61Å; V482-M488 HydrophobicContact CG1-CE 3.29Å; V482-M488 HydrophobicContact CG1-SD 3.62Å; V482-T490 HydrophobicContact CG1-CG2 4.2Å; V482-P493 HydrophobicContact CG2-CB 4.45Å; V482-N496 PolarHBondContact N-O 3.12Å; V482-V497 HydrophobicContact CB-CG1 4.36Å; V482-V497 CarbonylContact O-C 3.51Å; V482-V497 WeakPolarHBondContact O-CA 3.13Å; V482-T498 PolarHBondContact O-N 3.04Å |
| 483 | T | 80.4 | Confident | 70.6 | Confident | 54 Ų | 54 | 44.8 Ų | 44.8 | 33% | 0.331 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 133.5 | 179.8 | -51.5 | 0 | 0 | 0 | 0 | 111.5 | A449 T450 L451 T498 | A449-T483 PolarHBondContact O-N 3.05Å; T450-T483 VanDerWaalsContact CA-O 3.28Å; T450-T483 WeakPolarHBondContact CA-O 3.33Å; L451-T483 PolarHBondContact N-O 3.06Å; T483-T498 VanDerWaalsContact CA-O 3.28Å; T483-T498 WeakPolarHBondContact CA-O 3.17Å |
| 484 | S | 73 | Confident | 71.1 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.014 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 143.6 | -178.1 | -166.1 | 0 | 0 | 0 | 0 | 112.4 | E486 T498 S500 | S484-E486 VanDerWaalsContact CB-O 3.31Å; S484-E486 WeakPolarHBondContact CB-O 3.47Å; S484-E486 PolarHBondContact OG-N 2.83Å; S484-E486 PolarHBondContact OG-O 2.88Å; S484-T498 PolarHBondContact N-O 3.27Å; S484-S500 PolarHBondContact O-N 3.32Å |
| 485 | T | 71.4 | Confident | 71.8 | Confident | 52 Ų | 52 | 43.1 Ų | 43.1 | 32% | 0.319 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -85.3 | -21.2 | 163 | 50.3 | 0 | 0 | 0 | 0 | 112.7 | S501 | T485-S501 WeakPolarHBondContact O-CB 3.33Š|
| 486 | E | 69.3 | Low | 72.7 | Confident | 75 Ų | 75 | 45 Ų | 45 | 35% | 0.35 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -106.5 | 166.6 | -177.7 | -39.9 | -49.3 | 124.9 | 0 | 0 | 111.8 | L451 S484 | L451-E486 HydrophobicContact CD2-CB 4.21Å; L451-E486 HydrophobicContact CD2-CG 3.77Å; L451-E486 HydrophobicContact CG-CG 4.4Å; S484-E486 VanDerWaalsContact CB-O 3.31Å; S484-E486 WeakPolarHBondContact CB-O 3.47Å; S484-E486 PolarHBondContact OG-N 2.83Å; S484-E486 PolarHBondContact OG-O 2.88Å |
| 487 | E | 66.3 | Low | 73.6 | Confident | 88 Ų | 88 | 40.3 Ų | 40.3 | 41% | 0.411 | 24% | 0.24 | S | C | . | . | trans | -39.6 | 140.2 | 167.7 | -67.1 | 163.6 | -142.9 | 0 | 0 | 113.5 | S472 L473 | S472-E487 WeakPolarHBondContact CA-O 3.43Å; L473-E487 PolarHBondContact N-O 3.28Å | ||
| 488 | M | 73.3 | Confident | 74.8 | Confident | 5 Ų | 5 | 40.4 Ų | 40.4 | 3% | 0.025 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 130.1 | -167.2 | 168.3 | 154.8 | -80.9 | 0 | 0 | 113.2 | L473 V482 T490 V497 S505 | L473-M488 HydrophobicContact CB-CE 3.9Å; L473-M488 HydrophobicContact CD2-CE 3.28Å; L473-M488 HydrophobicContact CG-CE 3.51Å; L473-M488 WeakPolarHBondContact O-CA 3.36Å; V482-M488 HydrophobicContact CG1-CE 3.29Å; V482-M488 HydrophobicContact CG1-SD 3.62Å; M488-T490 HydrophobicContact CE-CG2 4.23Å; M488-T490 HydrophobicContact CG-CG2 3.51Å; M488-T490 HydrophobicContact SD-CG2 3.63Å; M488-V497 HydrophobicContact SD-CG1 3.75Å; M488-S505 PolarHBondContact O-N 2.96Å |
| 489 | S | 76.5 | Confident | 75.8 | Confident | 52 Ų | 52 | 39.7 Ų | 39.7 | 36% | 0.364 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 122.5 | 166.1 | -42.5 | 0 | 0 | 0 | 0 | 110.1 | L473 T474 T475 S505 | L473-S489 PolarHBondContact O-N 2.84Å; L473-S489 VanDerWaalsContact O-N 3.08Å; T474-S489 WeakPolarHBondContact CA-O 3.38Å; T475-S489 PolarHBondContact N-O 2.9Å; S489-S505 CarbonylContact C-O 3.57Å; S489-S505 WeakPolarHBondContact CA-O 3.29Å |
| 490 | T | 74 | Confident | 76.4 | Confident | 6 Ų | 6 | 37.9 Ų | 37.9 | 4% | 0.037 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 141.9 | -179 | 76.5 | 0 | 0 | 0 | 0 | 111.8 | T475 V482 M488 V497 S505 T506 S507 | T475-T490 WeakPolarHBondContact OG1-CB 3.29Å; T475-T490 WeakPolarHBondContact OG1-CG2 3.41Å; V482-T490 HydrophobicContact CG1-CG2 4.2Å; M488-T490 HydrophobicContact CE-CG2 4.23Å; M488-T490 HydrophobicContact CG-CG2 3.51Å; M488-T490 HydrophobicContact SD-CG2 3.63Å; T490-V497 HydrophobicContact CG2-CG1 4.15Å; T490-S505 PolarHBondContact N-O 3.01Å; T490-T506 WeakPolarHBondContact O-CA 3.44Å; T490-S507 PolarHBondContact O-N 2.84Å; T490-S507 VanDerWaalsContact O-N 3.14Å |
| 491 | S | 75.9 | Confident | 76.2 | Confident | 45 Ų | 45 | 39.2 Ų | 39.2 | 32% | 0.315 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 129.3 | 172.8 | 49.1 | 0 | 0 | 0 | 0 | 110.4 | T475 S476 G477 S507 | T475-S491 PolarHBondContact O-N 2.81Å; T475-S491 PolarHBondContact O-OG 2.87Å; T475-S491 VanDerWaalsContact O-OG 3.05Å; S476-S491 CarbonylContact C-O 3.55Å; S476-S491 WeakPolarHBondContact CA-O 3.45Å; S476-S491 VanDerWaalsContact CA-OG 3.28Å; S476-S491 WeakPolarHBondContact CA-OG 3.43Å; S476-S491 WeakPolarHBondContact CB-OG 3.46Å; G477-S491 PolarHBondContact N-O 2.81Å; S491-S507 WeakPolarHBondContact CA-OG 3.39Å |
| 492 | S | 72.3 | Confident | 75.6 | Confident | 63 Ų | 63 | 36.2 Ų | 36.2 | 44% | 0.441 | 21% | 0.214 | S | C | . | . | S | Bend | trans | 47.1 | 56.5 | -177.5 | -49.5 | 0 | 0 | 0 | 0 | 116.1 | G477 A478 S508 | G477-S492 WeakPolarHBondContact CA-O 3.34Å; A478-S492 PolarHBondContact N-O 2.7Å; S492-S508 WeakPolarHBondContact CA-O 3.12Å; S492-S508 WeakPolarHBondContact CA-OG 3.46Å; S492-S508 PolarHBondContact N-OG 2.87Å; S492-S508 PolarHBondContact OG-OG 3.26Å |
| 493 | P | 77.4 | Confident | 75.1 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | trans | -78 | 132.4 | 169 | 33.1 | -33.5 | 0 | 0 | 0 | 111.6 | A478 V482 V497 S509 Q510 | A478-P493 HydrophobicContact CB-CB 4.42Å; A478-P493 CarbonylContact O-C 3.48Å; A478-P493 WeakPolarHBondContact O-CA 3.48Å; V482-P493 HydrophobicContact CG2-CB 4.45Å; P493-V497 HydrophobicContact CB-CG2 3.91Å; P493-V497 HydrophobicContact CG-CG2 3.63Å; P493-S509 WeakPolarHBondContact O-CA 3.21Å; P493-Q510 PolarHBondContact O-N 2.93Å | ||
| 494 | E | 74.6 | Confident | 75 | Confident | 96 Ų | 96 | 37.7 Ų | 37.7 | 45% | 0.449 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -88.4 | -28.8 | 174.6 | -50.6 | -160.7 | 131.8 | 0 | 0 | 112.3 | A478 Q510 G511 | A478-E494 PolarHBondContact O-N 2.78Å; E494-Q510 PolarHBondContact OE1-NE2 2.78Å; E494-Q510 VanDerWaalsContact OE1-NE2 3.09Å; E494-G511 PolarHBondContact O-N 3Å |
| 495 | G | 78.9 | Confident | 75.5 | Confident | 8 Ų | 8 | 40.2 Ų | 40.2 | 8% | 0.082 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -86.4 | 175.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 496 | N | 85.6 | Confident | 75.9 | Confident | 62 Ų | 62 | 38.2 Ų | 38.2 | 33% | 0.332 | 22% | 0.222 | S | C | . | . | trans | -67.3 | 141.6 | 174.9 | -69.3 | 8.5 | 0 | 0 | 0 | 111.1 | N481 V482 N512 | N481-N496 CarbonylContact C-O 3.57Å; N481-N496 VanDerWaalsContact CA-O 3.24Å; N481-N496 WeakPolarHBondContact CA-O 3.35Å; N481-N496 WeakPolarHBondContact CB-O 3.47Å; N481-N496 PolarHBondContact OD1-N 2.84Å; V482-N496 PolarHBondContact N-O 3.12Å; N496-N512 CarbonylContact C-O 3.58Å; N496-N512 WeakPolarHBondContact CA-O 3.27Å; N496-N512 WeakPolarHBondContact CB-O 3.49Å; N496-N512 PolarHBondContact OD1-N 2.87Å | ||
| 497 | V | 84.6 | Confident | 76.3 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 133.5 | 175.3 | -167.6 | 0 | 0 | 0 | 0 | 109.4 | V482 M488 T490 P493 M504 N512 E513 T514 | V482-V497 HydrophobicContact CB-CG1 4.36Å; V482-V497 CarbonylContact O-C 3.51Å; V482-V497 WeakPolarHBondContact O-CA 3.13Å; M488-V497 HydrophobicContact SD-CG1 3.75Å; T490-V497 HydrophobicContact CG2-CG1 4.15Å; P493-V497 HydrophobicContact CB-CG2 3.91Å; P493-V497 HydrophobicContact CG-CG2 3.63Å; V497-M504 HydrophobicContact CB-CE 4.34Å; V497-M504 HydrophobicContact CB-SD 4.2Å; V497-M504 HydrophobicContact CG1-CE 3.73Å; V497-M504 HydrophobicContact CG1-CG 4.49Å; V497-M504 HydrophobicContact CG1-SD 3.72Å; V497-N512 PolarHBondContact N-O 3.23Å; V497-E513 HydrophobicContact CB-CG 4.38Å; V497-E513 HydrophobicContact CG2-CG 4.49Å; V497-E513 WeakPolarHBondContact O-CA 3.38Å; V497-T514 PolarHBondContact O-N 2.84Å |
| 498 | T | 84 | Confident | 76.9 | Confident | 55 Ų | 55 | 34.1 Ų | 34.1 | 34% | 0.337 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 120.5 | 179 | -52.2 | 0 | 0 | 0 | 0 | 111.6 | V482 T483 S484 T514 | V482-T498 PolarHBondContact O-N 3.04Å; T483-T498 VanDerWaalsContact CA-O 3.28Å; T483-T498 WeakPolarHBondContact CA-O 3.17Å; S484-T498 PolarHBondContact N-O 3.27Å; T498-T514 VanDerWaalsContact CA-O 3.3Å; T498-T514 WeakPolarHBondContact CA-O 3.31Å |
| 499 | S | 81.9 | Confident | 77.3 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.007 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 136.5 | 176.3 | 175.3 | 0 | 0 | 0 | 0 | 110.4 | S501 E503 M504 T514 T515 G516 | S499-S501 PolarHBondContact OG-N 3.2Å; S499-S501 PolarHBondContact OG-OG 3.46Å; S499-E503 PolarHBondContact OG-O 3.17Å; S499-M504 VanDerWaalsContact N-CE 3.32Å; S499-T514 PolarHBondContact N-O 2.83Å; S499-T515 WeakPolarHBondContact O-CA 3.43Å; S499-G516 PolarHBondContact O-N 3.18Å |
| 500 | S | 75.7 | Confident | 77.4 | Confident | 57 Ų | 57 | 36.4 Ų | 36.4 | 40% | 0.399 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -108.2 | 6.6 | 169.6 | 73.3 | 0 | 0 | 0 | 0 | 114.5 | S484 G516 | S484-S500 PolarHBondContact O-N 3.32Å; S500-G516 WeakPolarHBondContact CA-O 3.21Å |
| 501 | S | 66.4 | Low | 77.8 | Confident | 37 Ų | 37 | 36.4 Ų | 36.4 | 26% | 0.259 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -77.9 | -26.3 | 172 | 61.5 | 0 | 0 | 0 | 0 | 112.5 | T485 S499 E503 | T485-S501 WeakPolarHBondContact O-CB 3.33Å; S499-S501 PolarHBondContact OG-N 3.2Å; S499-S501 PolarHBondContact OG-OG 3.46Å; S501-E503 PolarHBondContact OG-N 2.04Å; S501-E503 PolarHBondContact OG-O 2.82Å |
| 502 | G | 65.8 | Low | 78.3 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | S | Bend | trans | 106.6 | -38.2 | -170.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | T515 S539 | G502-T515 VanDerWaalsContact O-CG2 3.3Å; G502-T515 WeakPolarHBondContact O-CG2 3.31Å; G502-S539 PolarHBondContact O-OG 2.77Å |
| 503 | E | 69.2 | Low | 79 | Confident | 83 Ų | 83 | 34.2 Ų | 34.2 | 39% | 0.388 | 20% | 0.198 | S | C | . | . | trans | -88.2 | 138.4 | -179.3 | -66.5 | -179.6 | -164 | 0 | 0 | 112.9 | S499 S501 G524 E525 | S499-E503 PolarHBondContact OG-O 3.17Å; S501-E503 PolarHBondContact OG-N 2.04Å; S501-E503 PolarHBondContact OG-O 2.82Å; E503-G524 VanDerWaalsContact CG-CA 3.44Å; E503-E525 WeakPolarHBondContact CA-O 3.4Å | ||
| 504 | M | 78.6 | Confident | 79.4 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 129.6 | 175 | -176.4 | -174.4 | -63.6 | 0 | 0 | 112.3 | V497 S499 T506 E513 T514 T515 E525 M526 S527 | V497-M504 HydrophobicContact CB-CE 4.34Å; V497-M504 HydrophobicContact CB-SD 4.2Å; V497-M504 HydrophobicContact CG1-CE 3.73Å; V497-M504 HydrophobicContact CG1-CG 4.49Å; V497-M504 HydrophobicContact CG1-SD 3.72Å; S499-M504 VanDerWaalsContact N-CE 3.32Å; M504-T506 HydrophobicContact CG-CG2 3.9Å; M504-T506 HydrophobicContact SD-CG2 3.85Å; M504-E513 HydrophobicContact SD-CB 4.38Å; M504-T514 VanDerWaalsContact CE-O 3.28Å; M504-T514 WeakPolarHBondContact CE-O 3.03Å; M504-T515 HydrophobicContact CB-CG2 3.59Å; M504-T515 HydrophobicContact CE-CG2 3.95Å; M504-T515 HydrophobicContact SD-CG2 4.5Å; M504-E525 PolarHBondContact N-O 3.46Å; M504-M526 WeakPolarHBondContact O-CA 3.29Å; M504-M526 HydrophobicContact SD-CE 4.26Å; M504-S527 PolarHBondContact O-N 2.83Å |
| 505 | S | 83.4 | Confident | 79.6 | Confident | 56 Ų | 56 | 31.9 Ų | 31.9 | 39% | 0.392 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 132.3 | 167.2 | -34.6 | 0 | 0 | 0 | 0 | 111.7 | M488 S489 T490 S527 | M488-S505 PolarHBondContact O-N 2.96Å; S489-S505 CarbonylContact C-O 3.57Å; S489-S505 WeakPolarHBondContact CA-O 3.29Å; T490-S505 PolarHBondContact N-O 3.01Å; S505-S527 CarbonylContact C-O 3.53Å; S505-S527 VanDerWaalsContact CA-O 3.31Å; S505-S527 WeakPolarHBondContact CA-O 3.47Å |
| 506 | T | 80.6 | Confident | 78.9 | Confident | 9 Ų | 9 | 32.6 Ų | 32.6 | 6% | 0.055 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 144.9 | 174.7 | 76.7 | 0 | 0 | 0 | 0 | 112.4 | T490 M504 E513 S527 T528 S529 | T490-T506 WeakPolarHBondContact O-CA 3.44Å; M504-T506 HydrophobicContact CG-CG2 3.9Å; M504-T506 HydrophobicContact SD-CG2 3.85Å; T506-E513 WeakPolarHBondContact CB-OE1 3.05Å; T506-E513 HydrophobicContact CG2-CG 4.44Å; T506-E513 VanDerWaalsContact CG2-OE1 3.27Å; T506-E513 WeakPolarHBondContact CG2-OE1 3.21Å; T506-E513 PolarHBondContact OG1-OE1 2.85Å; T506-S527 PolarHBondContact N-O 3.48Å; T506-T528 HydrophobicContact CG2-CG2 4.47Å; T506-T528 WeakPolarHBondContact O-CA 3.37Å; T506-T528 WeakPolarHBondContact OG1-CA 3.36Å; T506-T528 VanDerWaalsContact OG1-CB 3.26Å; T506-T528 WeakPolarHBondContact OG1-CB 3.3Å; T506-T528 WeakPolarHBondContact OG1-CG2 3.38Å; T506-S529 PolarHBondContact O-N 2.84Å |
| 507 | S | 78 | Confident | 77.5 | Confident | 41 Ų | 41 | 31.2 Ų | 31.2 | 29% | 0.287 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -98.4 | -34.8 | 179.3 | 77.8 | 0 | 0 | 0 | 0 | 115.5 | T490 S491 S529 S530 | T490-S507 PolarHBondContact O-N 2.84Å; T490-S507 VanDerWaalsContact O-N 3.14Å; S491-S507 WeakPolarHBondContact CA-OG 3.39Å; S507-S529 VanDerWaalsContact CA-OG 3.27Å; S507-S529 WeakPolarHBondContact CA-OG 3.41Å; S507-S529 PolarHBondContact O-OG 2.94Å; S507-S530 PolarHBondContact O-N 2.74Å; S507-S530 PolarHBondContact O-OG 3.05Å |
| 508 | S | 79.3 | Confident | 75.7 | Confident | 37 Ų | 37 | 40 Ų | 40 | 26% | 0.259 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -168.8 | 69.3 | -165.9 | 41.2 | 0 | 0 | 0 | 0 | 112.9 | S492 S530 | S492-S508 WeakPolarHBondContact CA-O 3.12Å; S492-S508 WeakPolarHBondContact CA-OG 3.46Å; S492-S508 PolarHBondContact N-OG 2.87Å; S492-S508 PolarHBondContact OG-OG 3.26Å; S508-S530 CarbonylContact C-O 3.36Å; S508-S530 VanDerWaalsContact CA-O 3.22Å; S508-S530 WeakPolarHBondContact CA-O 3.4Å; S508-S530 WeakPolarHBondContact CA-OG 3.34Å; S508-S530 PolarHBondContact N-O 2.57Å |
| 509 | S | 79.8 | Confident | 73.7 | Confident | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -84.8 | 144.6 | -177.7 | 57.3 | 0 | 0 | 0 | 0 | 113.8 | P493 E513 S530 S531 Q532 | P493-S509 WeakPolarHBondContact O-CA 3.21Å; S509-E513 WeakPolarHBondContact CB-OE1 3.35Å; S509-E513 PolarHBondContact OG-OE1 3.04Å; S509-S530 PolarHBondContact N-O 3.31Å; S509-S531 WeakPolarHBondContact O-CA 3.35Å; S509-S531 WeakPolarHBondContact OG-CA 3.19Å; S509-S531 WeakPolarHBondContact OG-CB 3.28Å; S509-Q532 PolarHBondContact O-N 3.17Å |
| 510 | Q | 80.4 | Confident | 71.6 | Confident | 101 Ų | 101 | 50.8 Ų | 50.8 | 47% | 0.472 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -98.1 | -27.7 | 166.9 | -54 | 179.8 | 29.6 | 0 | 0 | 112.4 | P493 E494 | P493-Q510 PolarHBondContact O-N 2.93Å; E494-Q510 PolarHBondContact OE1-NE2 2.78Å; E494-Q510 VanDerWaalsContact OE1-NE2 3.09Å |
| 511 | G | 81.2 | Confident | 69.8 | Low | 6 Ų | 6 | 54 Ų | 54 | 6% | 0.062 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -87.1 | 178 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114 | E494 G533 | E494-G511 PolarHBondContact O-N 3Å; G511-G533 WeakPolarHBondContact O-CA 3.02Å |
| 512 | N | 87.1 | Confident | 68.5 | Low | 62 Ų | 62 | 54.1 Ų | 54.1 | 33% | 0.332 | 31% | 0.31 | S | S | . | . | trans | -73.1 | 147.7 | 173.3 | -70.7 | 6.6 | 0 | 0 | 0 | 111.5 | N496 V497 G533 N534 | N496-N512 CarbonylContact C-O 3.58Å; N496-N512 WeakPolarHBondContact CA-O 3.27Å; N496-N512 WeakPolarHBondContact CB-O 3.49Å; N496-N512 PolarHBondContact OD1-N 2.87Å; V497-N512 PolarHBondContact N-O 3.23Å; N512-G533 WeakPolarHBondContact OD1-CA 3.42Å; N512-N534 CarbonylContact C-O 3.55Å; N512-N534 VanDerWaalsContact CA-O 3.31Å; N512-N534 WeakPolarHBondContact CA-O 3.41Å; N512-N534 WeakPolarHBondContact CB-O 3.43Å; N512-N534 PolarHBondContact OD1-N 2.83Å | ||
| 513 | E | 87.3 | Confident | 67.7 | Low | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 134.2 | 179.1 | -66.3 | 167.6 | 148.6 | 0 | 0 | 109.8 | V497 M504 T506 S509 M526 T528 S531 N534 V535 T536 | V497-E513 HydrophobicContact CB-CG 4.38Å; V497-E513 HydrophobicContact CG2-CG 4.49Å; V497-E513 WeakPolarHBondContact O-CA 3.38Å; M504-E513 HydrophobicContact SD-CB 4.38Å; T506-E513 WeakPolarHBondContact CB-OE1 3.05Å; T506-E513 HydrophobicContact CG2-CG 4.44Å; T506-E513 VanDerWaalsContact CG2-OE1 3.27Å; T506-E513 WeakPolarHBondContact CG2-OE1 3.21Å; T506-E513 PolarHBondContact OG1-OE1 2.85Å; S509-E513 WeakPolarHBondContact CB-OE1 3.35Å; S509-E513 PolarHBondContact OG-OE1 3.04Å; E513-M526 HydrophobicContact CB-CE 4.33Å; E513-T528 WeakPolarHBondContact OE2-CG2 3.29Å; E513-S531 WeakPolarHBondContact OE2-CB 3.18Å; E513-N534 PolarHBondContact N-O 3.23Å; E513-V535 WeakPolarHBondContact OE2-CG2 3.22Å; E513-T536 PolarHBondContact O-N 3.1Å |
| 514 | T | 85.6 | Confident | 67.1 | Low | 49 Ų | 49 | 55 Ų | 55 | 30% | 0.301 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 122.8 | -177.8 | -51.5 | 0 | 0 | 0 | 0 | 113 | V497 T498 S499 M504 T536 | V497-T514 PolarHBondContact O-N 2.84Å; T498-T514 VanDerWaalsContact CA-O 3.3Å; T498-T514 WeakPolarHBondContact CA-O 3.31Å; S499-T514 PolarHBondContact N-O 2.83Å; M504-T514 VanDerWaalsContact CE-O 3.28Å; M504-T514 WeakPolarHBondContact CE-O 3.03Å; T514-T536 VanDerWaalsContact CA-O 3.25Å; T514-T536 WeakPolarHBondContact CA-O 3.4Å |
| 515 | T | 79.3 | Confident | 66.7 | Low | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 142.5 | 166.5 | 50.1 | 0 | 0 | 0 | 0 | 110.5 | S499 G502 M504 M526 T536 S537 S538 | S499-T515 WeakPolarHBondContact O-CA 3.43Å; G502-T515 VanDerWaalsContact O-CG2 3.3Å; G502-T515 WeakPolarHBondContact O-CG2 3.31Å; M504-T515 HydrophobicContact CB-CG2 3.59Å; M504-T515 HydrophobicContact CE-CG2 3.95Å; M504-T515 HydrophobicContact SD-CG2 4.5Å; T515-M526 HydrophobicContact CG2-CB 4.46Å; T515-M526 HydrophobicContact CG2-CE 3.77Å; T515-M526 HydrophobicContact CG2-CG 4.39Å; T515-T536 PolarHBondContact N-O 3.29Å; T515-S537 WeakPolarHBondContact OG1-CA 3.48Å; T515-S537 WeakPolarHBondContact OG1-CB 3.38Å; T515-S537 PolarHBondContact OG1-OG 2.84Å; T515-S538 PolarHBondContact O-N 3.46Å; T515-S538 PolarHBondContact O-OG 3.43Å |
| 516 | G | 64.4 | Low | 66.4 | Low | 23 Ų | 23 | 58.2 Ų | 58.2 | 24% | 0.237 | 33% | 0.334 | C | S | . | . | trans | -177.6 | 116.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114 | S499 S500 S538 | S499-G516 PolarHBondContact O-N 3.18Å; S500-G516 WeakPolarHBondContact CA-O 3.21Å; G516-S538 WeakPolarHBondContact CA-OG 3.4Å | ||
| 517 | G | 55 | Low | 66.6 | Low | 32 Ų | 32 | 59.9 Ų | 59.9 | 33% | 0.33 | 35% | 0.346 | S | S | . | . | trans | -86.5 | 163.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y519 | G517-Y519 PolarHBondContact O-N 3.36Š| ||
| 518 | E | 46.7 | Very low | 66.8 | Low | 186 Ų | 186 | 58 Ų | 58 | 87% | 0.869 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -69.3 | -11 | 173.3 | -83.1 | -164 | 132.3 | 0 | 0 | 113.8 | ||
| 519 | Y | 41.8 | Very low | 67 | Low | 170 Ų | 170 | 59.9 Ų | 59.9 | 67% | 0.667 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -140 | 131.7 | -177.8 | -63.7 | -80.9 | 0 | 0 | 0 | 111.5 | G517 T521 | G517-Y519 PolarHBondContact O-N 3.36Å; Y519-T521 PolarHBondContact O-N 3.27Å |
| 520 | P | 38.6 | Very low | 67.1 | Low | 111 Ų | 111 | 61.8 Ų | 61.8 | 72% | 0.721 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -81.2 | 51 | 179.9 | 36.2 | -37.8 | 0 | 0 | 0 | 111.7 | ||
| 521 | T | 36.6 | Very low | 67.3 | Low | 124 Ų | 124 | 57.1 Ų | 57.1 | 76% | 0.761 | 34% | 0.338 | S | S | * | . | trans | -145.1 | 28.3 | 179.1 | 65.6 | 0 | 0 | 0 | 0 | 111.2 | Y519 | Y519-T521 PolarHBondContact O-N 3.27Š| ||
| 522 | A | 40.7 | Very low | 67.4 | Low | 40 Ų | 40 | 61.9 Ų | 61.9 | 33% | 0.331 | 36% | 0.359 | S | S | . | . | trans | -119.5 | 101.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | G524 S540 | A522-G524 PolarHBondContact O-N 2.9Å; A522-S540 PolarHBondContact O-OG 2.95Å | ||
| 523 | S | 47.9 | Very low | 67.3 | Low | 102 Ų | 102 | 59.3 Ų | 59.3 | 71% | 0.713 | 35% | 0.347 | S | S | * | . | trans | -66.2 | 114.4 | 170.1 | 51.2 | 0 | 0 | 0 | 0 | 109 | S540 | S523-S540 VanDerWaalsContact CA-O 3.31Å; S523-S540 WeakPolarHBondContact CA-O 3.36Å | ||
| 524 | G | 57.6 | Low | 67.4 | Low | 2 Ų | 2 | 62.3 Ų | 62.3 | 2% | 0.021 | 36% | 0.363 | C | S | . | . | trans | -156.5 | 124.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | E503 A522 S539 | E503-G524 VanDerWaalsContact CG-CA 3.44Å; A522-G524 PolarHBondContact O-N 2.9Å; G524-S539 PolarHBondContact O-OG 3.15Å | ||
| 525 | E | 68.9 | Low | 67.5 | Low | 123 Ų | 123 | 60 Ų | 60 | 58% | 0.575 | 35% | 0.348 | S | S | * | . | trans | -83.4 | 145.3 | -170.9 | -65.6 | 164.2 | -157.2 | 0 | 0 | 112.2 | E503 M504 E542 | E503-E525 WeakPolarHBondContact CA-O 3.4Å; M504-E525 PolarHBondContact N-O 3.46Å; E525-E542 WeakPolarHBondContact CA-O 3.25Å | ||
| 526 | M | 78.2 | Confident | 68 | Low | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.005 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 116.5 | 172.8 | -175.2 | -165 | -114.5 | 0 | 0 | 110.1 | M504 E513 T515 T528 V535 E542 M543 T544 | M504-M526 WeakPolarHBondContact O-CA 3.29Å; M504-M526 HydrophobicContact SD-CE 4.26Å; E513-M526 HydrophobicContact CB-CE 4.33Å; T515-M526 HydrophobicContact CG2-CB 4.46Å; T515-M526 HydrophobicContact CG2-CE 3.77Å; T515-M526 HydrophobicContact CG2-CG 4.39Å; M526-T528 HydrophobicContact CG-CG2 4.06Å; M526-T528 HydrophobicContact SD-CG2 4.33Å; M526-V535 HydrophobicContact CE-CG1 4.07Å; M526-V535 HydrophobicContact SD-CG1 3.43Å; M526-V535 WeakPolarHBondContact SD-CG1 3.45Å; M526-E542 PolarHBondContact N-O 2.89Å; M526-M543 HydrophobicContact CB-CG 4.43Å; M526-M543 CarbonylContact O-C 3.48Å; M526-M543 WeakPolarHBondContact O-CA 3.37Å; M526-M543 HydrophobicContact SD-CE 3.79Å; M526-M543 HydrophobicContact SD-CG 4.13Å; M526-M543 HydrophobicContact SD-SD 4.39Å; M526-T544 PolarHBondContact O-N 2.87Å; M526-T544 PolarHBondContact O-OG1 2.82Å |
| 527 | S | 84 | Confident | 68.9 | Low | 45 Ų | 45 | 61.3 Ų | 61.3 | 32% | 0.315 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 117.6 | 176.9 | -61.7 | 0 | 0 | 0 | 0 | 112 | M504 S505 T506 T544 | M504-S527 PolarHBondContact O-N 2.83Å; S505-S527 CarbonylContact C-O 3.53Å; S505-S527 VanDerWaalsContact CA-O 3.31Å; S505-S527 WeakPolarHBondContact CA-O 3.47Å; T506-S527 PolarHBondContact N-O 3.48Å; S527-T544 WeakPolarHBondContact CA-O 3.27Å; S527-T544 WeakPolarHBondContact CA-OG1 3.27Å; S527-T544 WeakPolarHBondContact CB-OG1 3.34Å; S527-T544 PolarHBondContact OG-OG1 2.85Å |
| 528 | T | 81.9 | Confident | 69.9 | Low | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.012 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 109 | -178.7 | 72.2 | 0 | 0 | 0 | 0 | 110.7 | T506 E513 M526 V535 T544 T545 G546 | T506-T528 HydrophobicContact CG2-CG2 4.47Å; T506-T528 WeakPolarHBondContact O-CA 3.37Å; T506-T528 WeakPolarHBondContact OG1-CA 3.36Å; T506-T528 VanDerWaalsContact OG1-CB 3.26Å; T506-T528 WeakPolarHBondContact OG1-CB 3.3Å; T506-T528 WeakPolarHBondContact OG1-CG2 3.38Å; E513-T528 WeakPolarHBondContact OE2-CG2 3.29Å; M526-T528 HydrophobicContact CG-CG2 4.06Å; M526-T528 HydrophobicContact SD-CG2 4.33Å; T528-V535 HydrophobicContact CG2-CG1 4.42Å; T528-T544 PolarHBondContact N-O 2.99Å; T528-T545 CarbonylContact O-C 3.55Å; T528-T545 WeakPolarHBondContact O-CA 3.21Å; T528-G546 PolarHBondContact O-N 3.13Å |
| 529 | S | 83.1 | Confident | 70.8 | Confident | 75 Ų | 75 | 54.5 Ų | 54.5 | 52% | 0.524 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | -25.8 | -175.2 | 65.7 | 0 | 0 | 0 | 0 | 113.8 | T506 S507 G546 R547 | T506-S529 PolarHBondContact O-N 2.84Å; S507-S529 VanDerWaalsContact CA-OG 3.27Å; S507-S529 WeakPolarHBondContact CA-OG 3.41Å; S507-S529 PolarHBondContact O-OG 2.94Å; S529-G546 WeakPolarHBondContact O-CA 3.33Å; S529-R547 PolarHBondContact O-N 3.17Å |
| 530 | S | 82.7 | Confident | 71.7 | Confident | 44 Ų | 44 | 47.4 Ų | 47.4 | 31% | 0.308 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 142.1 | 163.3 | 56.5 | 0 | 0 | 0 | 0 | 112.4 | S507 S508 S509 R547 | S507-S530 PolarHBondContact O-N 2.74Å; S507-S530 PolarHBondContact O-OG 3.05Å; S508-S530 CarbonylContact C-O 3.36Å; S508-S530 VanDerWaalsContact CA-O 3.22Å; S508-S530 WeakPolarHBondContact CA-O 3.4Å; S508-S530 WeakPolarHBondContact CA-OG 3.34Å; S508-S530 PolarHBondContact N-O 2.57Å; S509-S530 PolarHBondContact N-O 3.31Å; S530-R547 CarbonylContact C-O 3.58Å; S530-R547 VanDerWaalsContact CA-O 3.22Å; S530-R547 WeakPolarHBondContact CA-O 3.36Å |
| 531 | S | 84.8 | Confident | 72.9 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.014 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 139.1 | 179.6 | 62.2 | 0 | 0 | 0 | 0 | 112.9 | S509 E513 V535 R547 T548 E549 | S509-S531 WeakPolarHBondContact O-CA 3.35Å; S509-S531 WeakPolarHBondContact OG-CA 3.19Å; S509-S531 WeakPolarHBondContact OG-CB 3.28Å; E513-S531 WeakPolarHBondContact OE2-CB 3.18Å; S531-V535 WeakPolarHBondContact OG-CG2 3.14Å; S531-R547 PolarHBondContact N-O 2.86Å; S531-T548 CarbonylContact O-C 3.58Å; S531-T548 WeakPolarHBondContact O-CA 3.45Å; S531-E549 PolarHBondContact O-N 2.94Å |
| 532 | Q | 83.6 | Confident | 74.5 | Confident | 106 Ų | 106 | 42 Ų | 42 | 50% | 0.495 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -99.6 | -20.2 | 175.3 | -51.5 | -163.3 | -82.5 | 0 | 0 | 113.4 | S509 E549 | S509-Q532 PolarHBondContact O-N 3.17Å; Q532-E549 PolarHBondContact NE2-OE2 3.16Å |
| 533 | G | 84 | Confident | 76.4 | Confident | 8 Ų | 8 | 40.1 Ų | 40.1 | 8% | 0.082 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -84.9 | -178.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113 | G511 N512 G550 | G511-G533 WeakPolarHBondContact O-CA 3.02Å; N512-G533 WeakPolarHBondContact OD1-CA 3.42Å; G533-G550 WeakPolarHBondContact O-CA 3.2Å; G533-G550 PolarHBondContact O-N 3.25Å |
| 534 | N | 89.4 | Confident | 78.1 | Confident | 63 Ų | 63 | 37.8 Ų | 37.8 | 34% | 0.337 | 22% | 0.221 | S | C | . | . | trans | -72.8 | 141.1 | 169.5 | -70.5 | 1.7 | 0 | 0 | 0 | 110.6 | N512 E513 N551 | N512-N534 CarbonylContact C-O 3.55Å; N512-N534 VanDerWaalsContact CA-O 3.31Å; N512-N534 WeakPolarHBondContact CA-O 3.41Å; N512-N534 WeakPolarHBondContact CB-O 3.43Å; N512-N534 PolarHBondContact OD1-N 2.83Å; E513-N534 PolarHBondContact N-O 3.23Å; N534-N551 CarbonylContact C-O 3.59Å; N534-N551 VanDerWaalsContact CA-O 3.26Å; N534-N551 WeakPolarHBondContact CA-O 3.34Å; N534-N551 WeakPolarHBondContact CB-O 3.43Å; N534-N551 PolarHBondContact OD1-N 3.21Å | ||
| 535 | V | 89.3 | Confident | 79.3 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 130.4 | 173.2 | -171.8 | 0 | 0 | 0 | 0 | 108.5 | E513 M526 T528 S531 M543 T545 T548 N551 V552 T553 | E513-V535 WeakPolarHBondContact OE2-CG2 3.22Å; M526-V535 HydrophobicContact CE-CG1 4.07Å; M526-V535 HydrophobicContact SD-CG1 3.43Å; M526-V535 WeakPolarHBondContact SD-CG1 3.45Å; T528-V535 HydrophobicContact CG2-CG1 4.42Å; S531-V535 WeakPolarHBondContact OG-CG2 3.14Å; V535-M543 HydrophobicContact CG1-CE 4.17Å; V535-M543 HydrophobicContact CG1-SD 4.05Å; V535-T545 HydrophobicContact CG1-CG2 4.24Å; V535-T548 HydrophobicContact CG2-CG2 4.13Å; V535-N551 PolarHBondContact N-O 2.95Å; V535-V552 HydrophobicContact CB-CG1 4.28Å; V535-V552 WeakPolarHBondContact O-CA 3.45Å; V535-T553 PolarHBondContact O-N 2.97Å |
| 536 | T | 88.1 | Confident | 80.1 | Confident | 46 Ų | 46 | 32.6 Ų | 32.6 | 28% | 0.282 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 116.7 | -179.2 | -56.6 | 0 | 0 | 0 | 0 | 112.1 | E513 T514 T515 T553 | E513-T536 PolarHBondContact O-N 3.1Å; T514-T536 VanDerWaalsContact CA-O 3.25Å; T514-T536 WeakPolarHBondContact CA-O 3.4Å; T515-T536 PolarHBondContact N-O 3.29Å; T536-T553 CarbonylContact C-O 3.51Å; T536-T553 VanDerWaalsContact CA-O 3.28Å; T536-T553 WeakPolarHBondContact CA-O 3.3Å |
| 537 | S | 83.5 | Confident | 80.4 | Confident | 6 Ų | 6 | 38.7 Ų | 38.7 | 4% | 0.042 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 145.3 | 167.8 | -175.8 | 0 | 0 | 0 | 0 | 111.4 | T515 S539 M543 T553 | T515-S537 WeakPolarHBondContact OG1-CA 3.48Å; T515-S537 WeakPolarHBondContact OG1-CB 3.38Å; T515-S537 PolarHBondContact OG1-OG 2.84Å; S537-S539 PolarHBondContact OG-N 3.47Å; S537-S539 PolarHBondContact OG-OG 3.16Å; S537-S539 VanDerWaalsContact OG-OG 3.07Å; S537-M543 VanDerWaalsContact N-CE 3.35Å; S537-T553 PolarHBondContact N-O 3.23Å |
| 538 | S | 76 | Confident | 80.5 | Confident | 67 Ų | 67 | 36.6 Ų | 36.6 | 47% | 0.469 | 21% | 0.209 | S | C | . | . | trans | -136.8 | 20.3 | 163.9 | 54 | 0 | 0 | 0 | 0 | 112 | T515 G516 S555 | T515-S538 PolarHBondContact O-N 3.46Å; T515-S538 PolarHBondContact O-OG 3.43Å; G516-S538 WeakPolarHBondContact CA-OG 3.4Å; S538-S555 WeakPolarHBondContact CA-OG 3.29Å | ||
| 539 | S | 65.8 | Low | 80.7 | Confident | 7 Ų | 7 | 39.5 Ų | 39.5 | 5% | 0.049 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -89.8 | 164.6 | 166.8 | 44.4 | 0 | 0 | 0 | 0 | 111.3 | G502 G524 S537 G541 S555 | G502-S539 PolarHBondContact O-OG 2.77Å; G524-S539 PolarHBondContact O-OG 3.15Å; S537-S539 PolarHBondContact OG-N 3.47Å; S537-S539 PolarHBondContact OG-OG 3.16Å; S537-S539 VanDerWaalsContact OG-OG 3.07Å; S539-G541 PolarHBondContact O-N 2.82Å; S539-S555 PolarHBondContact O-OG 2.89Å |
| 540 | S | 60.5 | Low | 80.8 | Confident | 22 Ų | 22 | 36.4 Ų | 36.4 | 15% | 0.154 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -98 | 66.2 | 178.3 | 59.7 | 0 | 0 | 0 | 0 | 110.7 | A522 S523 E556 | A522-S540 PolarHBondContact O-OG 2.95Å; S523-S540 VanDerWaalsContact CA-O 3.31Å; S523-S540 WeakPolarHBondContact CA-O 3.36Å; S540-E556 WeakPolarHBondContact CA-OE2 3.01Å; S540-E556 WeakPolarHBondContact CB-OE1 3.46Å; S540-E556 WeakPolarHBondContact CB-OE2 3.36Å |
| 541 | G | 64.7 | Low | 81.2 | Confident | 13 Ų | 13 | 37.1 Ų | 37.1 | 13% | 0.134 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -164.9 | 159.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | S539 E556 | S539-G541 PolarHBondContact O-N 2.82Å; G541-E556 PolarHBondContact N-OE2 3.26Å |
| 542 | E | 69 | Low | 81.4 | Confident | 107 Ų | 107 | 37 Ų | 37 | 50% | 0.5 | 20% | 0.202 | S | C | . | . | trans | -59.4 | 137.1 | -171.3 | -66.6 | 176.1 | -139.5 | 0 | 0 | 113.2 | E525 M526 E557 | E525-E542 WeakPolarHBondContact CA-O 3.25Å; M526-E542 PolarHBondContact N-O 2.89Å; E542-E557 HydrophobicContact CG-CB 4.43Å | ||
| 543 | M | 81.2 | Confident | 81.6 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 118 | 168.2 | -176.4 | -169.6 | -69 | 0 | 0 | 110.6 | M526 V535 S537 T545 V552 T553 E557 M558 T559 | M526-M543 HydrophobicContact CB-CG 4.43Å; M526-M543 CarbonylContact O-C 3.48Å; M526-M543 WeakPolarHBondContact O-CA 3.37Å; M526-M543 HydrophobicContact SD-CE 3.79Å; M526-M543 HydrophobicContact SD-CG 4.13Å; M526-M543 HydrophobicContact SD-SD 4.39Å; V535-M543 HydrophobicContact CG1-CE 4.17Å; V535-M543 HydrophobicContact CG1-SD 4.05Å; S537-M543 VanDerWaalsContact N-CE 3.35Å; M543-T545 HydrophobicContact CG-CG2 3.79Å; M543-T545 HydrophobicContact SD-CG2 3.76Å; M543-V552 HydrophobicContact SD-CG1 3.43Å; M543-V552 WeakPolarHBondContact SD-CG1 3.47Å; M543-T553 WeakPolarHBondContact CE-O 3.38Å; M543-E557 PolarHBondContact N-O 3.36Å; M543-M558 WeakPolarHBondContact O-CA 3.3Å; M543-M558 HydrophobicContact SD-CE 4.12Å; M543-M558 HydrophobicContact SD-CG 4.17Å; M543-T559 PolarHBondContact O-N 3.36Å |
| 544 | T | 85 | Confident | 81.5 | Confident | 53 Ų | 53 | 34.1 Ų | 34.1 | 33% | 0.325 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 120.5 | 170.8 | 41.4 | 0 | 0 | 0 | 0 | 110.5 | M526 S527 T528 | M526-T544 PolarHBondContact O-N 2.87Å; M526-T544 PolarHBondContact O-OG1 2.82Å; S527-T544 WeakPolarHBondContact CA-O 3.27Å; S527-T544 WeakPolarHBondContact CA-OG1 3.27Å; S527-T544 WeakPolarHBondContact CB-OG1 3.34Å; S527-T544 PolarHBondContact OG-OG1 2.85Å; T528-T544 PolarHBondContact N-O 2.99Å |
| 545 | T | 82.4 | Confident | 80.6 | Confident | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.018 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 136.3 | 178.2 | 68.9 | 0 | 0 | 0 | 0 | 112.4 | T528 V535 M543 T548 V552 T559 T560 S561 | T528-T545 CarbonylContact O-C 3.55Å; T528-T545 WeakPolarHBondContact O-CA 3.21Å; V535-T545 HydrophobicContact CG1-CG2 4.24Å; M543-T545 HydrophobicContact CG-CG2 3.79Å; M543-T545 HydrophobicContact SD-CG2 3.76Å; T545-T548 HydrophobicContact CG2-CG2 4.37Å; T545-V552 HydrophobicContact CG2-CG1 4.08Å; T545-T559 PolarHBondContact N-O 3.49Å; T545-T559 PolarHBondContact OG1-O 2.74Å; T545-T560 CarbonylContact O-C 3.55Å; T545-T560 WeakPolarHBondContact O-CA 3.45Å; T545-T560 WeakPolarHBondContact OG1-CA 3.22Å; T545-T560 WeakPolarHBondContact OG1-CB 3.32Å; T545-T560 VanDerWaalsContact OG1-CG2 3.31Å; T545-T560 WeakPolarHBondContact OG1-CG2 3.03Å; T545-S561 WeakPolarHBondContact O-CB 3.23Å; T545-S561 PolarHBondContact O-N 3.13Å; T545-S561 PolarHBondContact O-OG 2.81Å |
| 546 | G | 84.3 | Confident | 79.8 | Confident | 14 Ų | 14 | 36 Ų | 36 | 14% | 0.144 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | -110.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | T528 S529 S561 S562 | T528-G546 PolarHBondContact O-N 3.13Å; S529-G546 WeakPolarHBondContact O-CA 3.33Å; G546-S561 CarbonylContact O-C 3.54Å; G546-S561 WeakPolarHBondContact O-CB 3.21Å; G546-S561 PolarHBondContact O-N 2.97Å; G546-S562 PolarHBondContact O-N 2.87Å |
| 547 | R | 85.9 | Confident | 79.1 | Confident | 128 Ų | 128 | 37.4 Ų | 37.4 | 48% | 0.483 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 116.3 | 174.2 | 178.1 | 174.7 | 159.8 | 162.7 | -5.7 | 112.1 | S529 S530 S531 E549 S562 | S529-R547 PolarHBondContact O-N 3.17Å; S530-R547 CarbonylContact C-O 3.58Å; S530-R547 VanDerWaalsContact CA-O 3.22Å; S530-R547 WeakPolarHBondContact CA-O 3.36Å; S531-R547 PolarHBondContact N-O 2.86Å; R547-E549 IonicContact CZ-OE1 3.86Å; R547-E549 IonicContact NE-OE1 3.81Å; R547-E549 IonicContact NH2-OE1 2.64Å; R547-E549 PolarHBondContact NH2-OE1 2.04Å; R547-S562 CarbonylContact C-O 3.58Å; R547-S562 WeakPolarHBondContact CA-O 3.39Å; R547-S562 WeakPolarHBondContact CA-OG 3.16Å; R547-S562 WeakPolarHBondContact CB-OG 3.13Å |
| 548 | T | 86.4 | Confident | 78.8 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 137.9 | 178.7 | 67 | 0 | 0 | 0 | 0 | 111.8 | S531 V535 T545 V552 S562 S563 Q564 | S531-T548 CarbonylContact O-C 3.58Å; S531-T548 WeakPolarHBondContact O-CA 3.45Å; V535-T548 HydrophobicContact CG2-CG2 4.13Å; T545-T548 HydrophobicContact CG2-CG2 4.37Å; T548-V552 HydrophobicContact CG2-CG2 3.83Å; T548-V552 WeakPolarHBondContact OG1-CG2 3.46Å; T548-S562 PolarHBondContact N-O 3Å; T548-S563 WeakPolarHBondContact O-CA 3.31Å; T548-S563 WeakPolarHBondContact OG1-CA 3.49Å; T548-S563 VanDerWaalsContact OG1-CB 3.3Å; T548-S563 WeakPolarHBondContact OG1-CB 3.43Å; T548-Q564 PolarHBondContact O-N 2.85Å |
| 549 | E | 85.2 | Confident | 79.3 | Confident | 64 Ų | 64 | 36.7 Ų | 36.7 | 30% | 0.299 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -106.9 | -17.7 | 173.6 | -51.1 | -171 | 147.4 | 0 | 0 | 112.9 | S531 Q532 R547 | S531-E549 PolarHBondContact O-N 2.94Å; Q532-E549 PolarHBondContact NE2-OE2 3.16Å; R547-E549 IonicContact CZ-OE1 3.86Å; R547-E549 IonicContact NE-OE1 3.81Å; R547-E549 IonicContact NH2-OE1 2.64Å; R547-E549 PolarHBondContact NH2-OE1 2.04Å |
| 550 | G | 85.3 | Confident | 80.1 | Confident | 9 Ų | 9 | 36.3 Ų | 36.3 | 9% | 0.093 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -95.2 | 180 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | G533 G565 | G533-G550 WeakPolarHBondContact O-CA 3.2Å; G533-G550 PolarHBondContact O-N 3.25Å; G550-G565 WeakPolarHBondContact O-CA 3.04Å |
| 551 | N | 90.1 | Very high | 81.3 | Confident | 60 Ų | 60 | 37.4 Ų | 37.4 | 32% | 0.321 | 20% | 0.201 | S | C | . | . | trans | -68.6 | 144.5 | 174.2 | -73.5 | -0.5 | 0 | 0 | 0 | 111 | N534 V535 N566 | N534-N551 CarbonylContact C-O 3.59Å; N534-N551 VanDerWaalsContact CA-O 3.26Å; N534-N551 WeakPolarHBondContact CA-O 3.34Å; N534-N551 WeakPolarHBondContact CB-O 3.43Å; N534-N551 PolarHBondContact OD1-N 3.21Å; V535-N551 PolarHBondContact N-O 2.95Å; N551-N566 CarbonylContact C-O 3.57Å; N551-N566 WeakPolarHBondContact CA-O 3.22Å; N551-N566 PolarHBondContact OD1-N 2.92Å; N551-N566 PolarHBondContact OD1-ND2 2.79Å | ||
| 552 | V | 89.5 | Confident | 82.2 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 131.2 | 176 | -170.8 | 0 | 0 | 0 | 0 | 108.9 | V535 M543 T545 T548 M558 N566 E567 T568 | V535-V552 HydrophobicContact CB-CG1 4.28Å; V535-V552 WeakPolarHBondContact O-CA 3.45Å; M543-V552 HydrophobicContact SD-CG1 3.43Å; M543-V552 WeakPolarHBondContact SD-CG1 3.47Å; T545-V552 HydrophobicContact CG2-CG1 4.08Å; T548-V552 HydrophobicContact CG2-CG2 3.83Å; T548-V552 WeakPolarHBondContact OG1-CG2 3.46Å; V552-M558 HydrophobicContact CB-SD 4.35Å; V552-M558 HydrophobicContact CG1-CE 3.77Å; V552-M558 HydrophobicContact CG1-CG 4.49Å; V552-M558 HydrophobicContact CG1-SD 3.67Å; V552-N566 PolarHBondContact N-O 2.04Å; V552-E567 HydrophobicContact CB-CG 4.39Å; V552-E567 WeakPolarHBondContact O-CA 3.26Å; V552-T568 PolarHBondContact O-N 2.8Å |
| 553 | T | 87.2 | Confident | 82.9 | Confident | 50 Ų | 50 | 33.6 Ų | 33.6 | 31% | 0.307 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 124.6 | -177.5 | -56.7 | 0 | 0 | 0 | 0 | 111.8 | V535 T536 S537 M543 T568 | V535-T553 PolarHBondContact O-N 2.97Å; T536-T553 CarbonylContact C-O 3.51Å; T536-T553 VanDerWaalsContact CA-O 3.28Å; T536-T553 WeakPolarHBondContact CA-O 3.3Å; S537-T553 PolarHBondContact N-O 3.23Å; M543-T553 WeakPolarHBondContact CE-O 3.38Å; T553-T568 CarbonylContact C-O 3.58Å; T553-T568 VanDerWaalsContact CA-O 3.3Å; T553-T568 WeakPolarHBondContact CA-O 3.45Å |
| 554 | S | 82.6 | Confident | 83.2 | Confident | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 153.8 | 178.1 | -168.6 | 0 | 0 | 0 | 0 | 111.7 | E556 M558 T568 T569 G570 | S554-E556 VanDerWaalsContact CB-O 3.32Å; S554-E556 WeakPolarHBondContact CB-O 3.49Å; S554-E556 PolarHBondContact OG-N 2.95Å; S554-E556 PolarHBondContact OG-O 3.28Å; S554-M558 VanDerWaalsContact CB-CE 3.47Å; S554-M558 VanDerWaalsContact N-CE 3.34Å; S554-T568 PolarHBondContact N-O 3.09Å; S554-T569 WeakPolarHBondContact O-CA 3.32Å; S554-G570 PolarHBondContact O-N 3.25Å |
| 555 | S | 70.5 | Confident | 83.1 | Confident | 38 Ų | 38 | 34.7 Ų | 34.7 | 27% | 0.266 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -82.6 | -23.5 | 166.7 | 35 | 0 | 0 | 0 | 0 | 113.3 | S538 S539 | S538-S555 WeakPolarHBondContact CA-OG 3.29Å; S539-S555 PolarHBondContact O-OG 2.89Å |
| 556 | E | 72 | Confident | 83.4 | Confident | 64 Ų | 64 | 36.7 Ų | 36.7 | 30% | 0.299 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -138.1 | -154.7 | -177 | -65 | -174.5 | -173.8 | 0 | 0 | 109.6 | S540 G541 S554 T569 | S540-E556 WeakPolarHBondContact CA-OE2 3.01Å; S540-E556 WeakPolarHBondContact CB-OE1 3.46Å; S540-E556 WeakPolarHBondContact CB-OE2 3.36Å; G541-E556 PolarHBondContact N-OE2 3.26Å; S554-E556 VanDerWaalsContact CB-O 3.32Å; S554-E556 WeakPolarHBondContact CB-O 3.49Å; S554-E556 PolarHBondContact OG-N 2.95Å; S554-E556 PolarHBondContact OG-O 3.28Å; E556-T569 WeakPolarHBondContact O-CG2 3.26Å |
| 557 | E | 74.2 | Confident | 83.6 | Confident | 76 Ų | 76 | 36 Ų | 36 | 36% | 0.355 | 19% | 0.191 | S | C | . | . | trans | -56.4 | 143.7 | -167.7 | -65.6 | -179.6 | -170.8 | 0 | 0 | 114.4 | E542 M543 E580 | E542-E557 HydrophobicContact CG-CB 4.43Å; M543-E557 PolarHBondContact N-O 3.36Å; E557-E580 WeakPolarHBondContact CA-O 3.43Å | ||
| 558 | M | 78.1 | Confident | 83.6 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 122.2 | -173.7 | -174.5 | -168.4 | -64.4 | 0 | 0 | 112.4 | M543 V552 S554 T560 T568 T569 E580 M581 S582 | M543-M558 WeakPolarHBondContact O-CA 3.3Å; M543-M558 HydrophobicContact SD-CE 4.12Å; M543-M558 HydrophobicContact SD-CG 4.17Å; V552-M558 HydrophobicContact CB-SD 4.35Å; V552-M558 HydrophobicContact CG1-CE 3.77Å; V552-M558 HydrophobicContact CG1-CG 4.49Å; V552-M558 HydrophobicContact CG1-SD 3.67Å; S554-M558 VanDerWaalsContact CB-CE 3.47Å; S554-M558 VanDerWaalsContact N-CE 3.34Å; M558-T560 HydrophobicContact CG-CG2 3.79Å; M558-T560 HydrophobicContact SD-CG2 3.73Å; M558-T568 WeakPolarHBondContact CE-O 3.36Å; M558-T569 HydrophobicContact CB-CG2 3.89Å; M558-T569 HydrophobicContact CE-CG2 3.99Å; M558-E580 PolarHBondContact N-O 2.95Å; M558-M581 WeakPolarHBondContact O-CA 3.41Å; M558-M581 HydrophobicContact SD-CE 4.15Å; M558-S582 PolarHBondContact O-N 2.92Å |
| 559 | T | 86.1 | Confident | 83.3 | Confident | 55 Ų | 55 | 32.3 Ų | 32.3 | 34% | 0.337 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 131.3 | 166.5 | -65.2 | 0 | 0 | 0 | 0 | 110.5 | M543 T545 S582 | M543-T559 PolarHBondContact O-N 3.36Å; T545-T559 PolarHBondContact N-O 3.49Å; T545-T559 PolarHBondContact OG1-O 2.74Å; T559-S582 CarbonylContact C-O 3.34Å; T559-S582 VanDerWaalsContact CA-O 3.31Å; T559-S582 WeakPolarHBondContact CA-O 3.49Å |
| 560 | T | 82.9 | Confident | 82.3 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 136.8 | 177.7 | 81.1 | 0 | 0 | 0 | 0 | 112.7 | T545 M558 E567 S582 T583 S584 | T545-T560 CarbonylContact O-C 3.55Å; T545-T560 WeakPolarHBondContact O-CA 3.45Å; T545-T560 WeakPolarHBondContact OG1-CA 3.22Å; T545-T560 WeakPolarHBondContact OG1-CB 3.32Å; T545-T560 VanDerWaalsContact OG1-CG2 3.31Å; T545-T560 WeakPolarHBondContact OG1-CG2 3.03Å; M558-T560 HydrophobicContact CG-CG2 3.79Å; M558-T560 HydrophobicContact SD-CG2 3.73Å; T560-E567 VanDerWaalsContact CB-OE1 3.29Å; T560-E567 WeakPolarHBondContact CB-OE1 3.43Å; T560-E567 WeakPolarHBondContact CG2-OE1 3.21Å; T560-E567 PolarHBondContact OG1-OE1 3.34Å; T560-S582 PolarHBondContact N-O 2.87Å; T560-T583 HydrophobicContact CG2-CG2 4.12Å; T560-T583 WeakPolarHBondContact OG1-CB 3.28Å; T560-T583 WeakPolarHBondContact OG1-CG2 3.5Å; T560-S584 PolarHBondContact O-N 3.21Å; T560-S584 PolarHBondContact O-OG 2.74Å; T560-S584 VanDerWaalsContact O-OG 3.04Å |
| 561 | S | 85 | Confident | 80.8 | Confident | 44 Ų | 44 | 32.5 Ų | 32.5 | 31% | 0.308 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | -37.6 | -176.5 | -43.2 | 0 | 0 | 0 | 0 | 112.5 | T545 G546 S584 | T545-S561 WeakPolarHBondContact O-CB 3.23Å; T545-S561 PolarHBondContact O-N 3.13Å; T545-S561 PolarHBondContact O-OG 2.81Å; G546-S561 CarbonylContact O-C 3.54Å; G546-S561 WeakPolarHBondContact O-CB 3.21Å; G546-S561 PolarHBondContact O-N 2.97Å; S561-S584 WeakPolarHBondContact CA-OG 3.3Å; S561-S584 PolarHBondContact O-OG 3.21Å |
| 562 | S | 84 | Confident | 78.5 | Confident | 37 Ų | 37 | 32.6 Ų | 32.6 | 26% | 0.259 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.9 | 130.5 | 167 | 51.8 | 0 | 0 | 0 | 0 | 112.1 | G546 R547 T548 R585 | G546-S562 PolarHBondContact O-N 2.87Å; R547-S562 CarbonylContact C-O 3.58Å; R547-S562 WeakPolarHBondContact CA-O 3.39Å; R547-S562 WeakPolarHBondContact CA-OG 3.16Å; R547-S562 WeakPolarHBondContact CB-OG 3.13Å; T548-S562 PolarHBondContact N-O 3Å; S562-R585 CarbonylContact C-O 3.59Å; S562-R585 VanDerWaalsContact CA-O 3.22Å; S562-R585 WeakPolarHBondContact CA-O 3.15Å |
| 563 | S | 84.1 | Confident | 75.9 | Confident | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 143.5 | -179.4 | 60.1 | 0 | 0 | 0 | 0 | 114 | T548 E567 R585 S586 Q587 | T548-S563 WeakPolarHBondContact O-CA 3.31Å; T548-S563 WeakPolarHBondContact OG1-CA 3.49Å; T548-S563 VanDerWaalsContact OG1-CB 3.3Å; T548-S563 WeakPolarHBondContact OG1-CB 3.43Å; S563-E567 WeakPolarHBondContact CB-OE1 3.29Å; S563-E567 PolarHBondContact OG-OE1 2.89Å; S563-R585 PolarHBondContact N-O 2.91Å; S563-S586 WeakPolarHBondContact OG-CA 3.3Å; S563-S586 VanDerWaalsContact OG-CB 3.26Å; S563-S586 WeakPolarHBondContact OG-CB 3.45Å; S563-Q587 PolarHBondContact O-N 3.3Å |
| 564 | Q | 85.6 | Confident | 73.3 | Confident | 74 Ų | 74 | 47.9 Ų | 47.9 | 35% | 0.346 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -111.5 | -5.8 | 169.9 | -51 | -175.2 | 3.2 | 0 | 0 | 113.3 | T548 E588 | T548-Q564 PolarHBondContact O-N 2.85Å; Q564-E588 WeakPolarHBondContact O-CG 3.35Å |
| 565 | G | 84.8 | Confident | 70.9 | Confident | 4 Ų | 4 | 53.7 Ų | 53.7 | 4% | 0.041 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -104.2 | 176.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | G550 | G550-G565 WeakPolarHBondContact O-CA 3.04Š|
| 566 | N | 88.4 | Confident | 69 | Low | 45 Ų | 45 | 58.4 Ų | 58.4 | 24% | 0.241 | 34% | 0.343 | C | S | . | . | trans | -74.4 | 142.9 | 177.5 | -62.6 | -99.7 | 0 | 0 | 0 | 110.3 | N551 V552 N589 | N551-N566 CarbonylContact C-O 3.57Å; N551-N566 WeakPolarHBondContact CA-O 3.22Å; N551-N566 PolarHBondContact OD1-N 2.92Å; N551-N566 PolarHBondContact OD1-ND2 2.79Å; V552-N566 PolarHBondContact N-O 2.04Å; N566-N589 WeakPolarHBondContact CA-O 3.3Å; N566-N589 WeakPolarHBondContact OD1-CB 3.46Å; N566-N589 PolarHBondContact OD1-N 3.25Å; N566-N589 PolarHBondContact OD1-ND2 3Å | ||
| 567 | E | 88 | Confident | 67.3 | Low | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 134.5 | 179.4 | -65.8 | 170.6 | 150.3 | 0 | 0 | 109.5 | V552 T560 S563 T583 S586 N589 V590 T591 | V552-E567 HydrophobicContact CB-CG 4.39Å; V552-E567 WeakPolarHBondContact O-CA 3.26Å; T560-E567 VanDerWaalsContact CB-OE1 3.29Å; T560-E567 WeakPolarHBondContact CB-OE1 3.43Å; T560-E567 WeakPolarHBondContact CG2-OE1 3.21Å; T560-E567 PolarHBondContact OG1-OE1 3.34Å; S563-E567 WeakPolarHBondContact CB-OE1 3.29Å; S563-E567 PolarHBondContact OG-OE1 2.89Å; E567-T583 WeakPolarHBondContact OE2-CB 3.36Å; E567-T583 WeakPolarHBondContact OE2-CG2 3.36Å; E567-T583 PolarHBondContact OE2-OG1 3.03Å; E567-S586 WeakPolarHBondContact OE2-CB 3.41Å; E567-N589 PolarHBondContact N-O 3.2Å; E567-V590 HydrophobicContact CB-CG1 4.31Å; E567-V590 WeakPolarHBondContact OE2-CG2 3.46Å; E567-T591 PolarHBondContact O-N 2.93Å |
| 568 | T | 86.2 | Confident | 65.8 | Low | 49 Ų | 49 | 57.5 Ų | 57.5 | 30% | 0.301 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 124.3 | -176.3 | -53.8 | 0 | 0 | 0 | 0 | 113.2 | V552 T553 S554 M558 T591 | V552-T568 PolarHBondContact O-N 2.8Å; T553-T568 CarbonylContact C-O 3.58Å; T553-T568 VanDerWaalsContact CA-O 3.3Å; T553-T568 WeakPolarHBondContact CA-O 3.45Å; S554-T568 PolarHBondContact N-O 3.09Å; M558-T568 WeakPolarHBondContact CE-O 3.36Å; T568-T591 CarbonylContact C-O 3.59Å; T568-T591 VanDerWaalsContact CA-O 3.26Å; T568-T591 WeakPolarHBondContact CA-O 3.49Å |
| 569 | T | 80.4 | Confident | 64.7 | Low | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.006 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 127.2 | 165.1 | 48.9 | 0 | 0 | 0 | 0 | 111.3 | S554 E556 M558 M581 T591 S592 S593 | S554-T569 WeakPolarHBondContact O-CA 3.32Å; E556-T569 WeakPolarHBondContact O-CG2 3.26Å; M558-T569 HydrophobicContact CB-CG2 3.89Å; M558-T569 HydrophobicContact CE-CG2 3.99Å; T569-M581 HydrophobicContact CG2-CE 3.65Å; T569-T591 PolarHBondContact N-O 2.85Å; T569-S592 WeakPolarHBondContact OG1-CA 3.27Å; T569-S592 WeakPolarHBondContact OG1-CB 3.49Å; T569-S593 PolarHBondContact O-N 2.95Å; T569-S593 PolarHBondContact O-OG 3.05Å |
| 570 | G | 64.5 | Low | 63.6 | Low | 34 Ų | 34 | 59.7 Ų | 59.7 | 35% | 0.351 | 36% | 0.363 | S | S | . | . | trans | -116.6 | 105.2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | S554 S593 | S554-G570 PolarHBondContact O-N 3.25Å; G570-S593 WeakPolarHBondContact CA-OG 3.22Å | ||
| 571 | G | 52.9 | Low | 63.3 | Low | 44 Ų | 44 | 59.7 Ų | 59.7 | 45% | 0.454 | 36% | 0.363 | S | S | . | . | trans | -60.7 | 132.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | S593 | G571-S593 PolarHBondContact N-OG 2.81Š| ||
| 572 | G | 40.8 | Very low | 63.2 | Low | 62 Ų | 62 | 59.2 Ų | 59.2 | 64% | 0.639 | 36% | 0.36 | S | S | * | . | trans | -74.7 | -179.9 | -180 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y574 | G572-Y574 PolarHBondContact O-N 3.17Š| ||
| 573 | E | 35.7 | Very low | 63 | Low | 186 Ų | 186 | 57.5 Ų | 57.5 | 87% | 0.869 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -65.4 | -2.3 | -179.1 | -76.2 | -165.7 | 123.5 | 0 | 0 | 115 | ||
| 574 | Y | 31.7 | Very low | 62.9 | Low | 185 Ų | 185 | 58.5 Ų | 58.5 | 73% | 0.725 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -129.5 | 108.3 | -178.9 | -64.1 | -79.3 | 0 | 0 | 0 | 111 | G572 T576 | G572-Y574 PolarHBondContact O-N 3.17Å; Y574-T576 PolarHBondContact O-N 3.02Å |
| 575 | P | 33 | Very low | 62.7 | Low | 125 Ų | 125 | 61.5 Ų | 61.5 | 81% | 0.812 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -82.4 | 63.9 | -175.6 | 34.8 | -36.8 | 0 | 0 | 0 | 111.6 | ||
| 576 | T | 30.4 | Very low | 62.6 | Low | 136 Ų | 136 | 61.7 Ų | 61.7 | 83% | 0.834 | 36% | 0.364 | S | S | * | . | trans | -135.8 | 15.6 | 177 | 55.2 | 0 | 0 | 0 | 0 | 113.3 | Y574 | Y574-T576 PolarHBondContact O-N 3.02Š| ||
| 577 | A | 37.2 | Very low | 62.2 | Low | 57 Ų | 57 | 65.5 Ų | 65.5 | 47% | 0.471 | 38% | 0.38 | S | S | . | . | trans | -124 | 119.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | G579 | A577-G579 PolarHBondContact O-N 2.83Š| ||
| 578 | S | 43 | Very low | 62.1 | Low | 64 Ų | 64 | 69.7 Ų | 69.7 | 45% | 0.448 | 40% | 0.4 | S | S | . | . | trans | -97.4 | 79.6 | -178.8 | 49.2 | 0 | 0 | 0 | 0 | 109.4 | E580 S594 | S578-E580 PolarHBondContact O-N 2.78Å; S578-S594 CarbonylContact C-O 3.54Å; S578-S594 VanDerWaalsContact CA-O 3.28Å; S578-S594 WeakPolarHBondContact CA-O 3.34Å | ||
| 579 | G | 54.7 | Low | 62.2 | Low | 4 Ų | 4 | 69.6 Ų | 69.6 | 4% | 0.041 | 40% | 0.397 | C | S | . | . | trans | -74.6 | 107.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A577 S594 | A577-G579 PolarHBondContact O-N 2.83Å; G579-S594 PolarHBondContact N-O 3.38Å | ||
| 580 | E | 63.2 | Low | 62.4 | Low | 99 Ų | 99 | 69.5 Ų | 69.5 | 46% | 0.463 | 40% | 0.397 | S | S | . | . | trans | -65.4 | 152.1 | 172.2 | -63.8 | -177.5 | -163 | 0 | 0 | 112.8 | E557 M558 S578 | E557-E580 WeakPolarHBondContact CA-O 3.43Å; M558-E580 PolarHBondContact N-O 2.95Å; S578-E580 PolarHBondContact O-N 2.78Å | ||
| 581 | M | 76.5 | Confident | 63.4 | Low | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 125.4 | 176.2 | 171.6 | -178.7 | -86.4 | 0 | 0 | 110.3 | M558 T569 T583 V590 E596 M597 T598 | M558-M581 WeakPolarHBondContact O-CA 3.41Å; M558-M581 HydrophobicContact SD-CE 4.15Å; T569-M581 HydrophobicContact CG2-CE 3.65Å; M581-T583 HydrophobicContact CG-CG2 3.73Å; M581-T583 HydrophobicContact SD-CG2 4.22Å; M581-V590 HydrophobicContact CE-CG1 4.34Å; M581-V590 HydrophobicContact SD-CG1 3.33Å; M581-V590 WeakPolarHBondContact SD-CG1 3.39Å; M581-E596 PolarHBondContact N-O 3.02Å; M581-M597 HydrophobicContact CG-CG 4.34Å; M581-M597 CarbonylContact O-C 3.56Å; M581-M597 WeakPolarHBondContact O-CA 3.43Å; M581-M597 HydrophobicContact SD-CE 4.01Å; M581-M597 HydrophobicContact SD-CG 4.12Å; M581-T598 PolarHBondContact O-N 3Å |
| 582 | S | 82.8 | Confident | 64.8 | Low | 34 Ų | 34 | 68 Ų | 68 | 24% | 0.238 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 108.6 | 178.9 | -70.7 | 0 | 0 | 0 | 0 | 111.7 | M558 T559 T560 T598 | M558-S582 PolarHBondContact O-N 2.92Å; T559-S582 CarbonylContact C-O 3.34Å; T559-S582 VanDerWaalsContact CA-O 3.31Å; T559-S582 WeakPolarHBondContact CA-O 3.49Å; T560-S582 PolarHBondContact N-O 2.87Å; S582-T598 WeakPolarHBondContact CA-O 3.33Å; S582-T598 WeakPolarHBondContact CA-OG1 3.33Å; S582-T598 WeakPolarHBondContact CB-OG1 3.39Å; S582-T598 PolarHBondContact OG-OG1 2.81Å |
| 583 | T | 80.2 | Confident | 66.1 | Low | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.012 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 110.8 | -173.9 | 78.9 | 0 | 0 | 0 | 0 | 112.2 | T560 E567 M581 V590 T598 T599 S600 | T560-T583 HydrophobicContact CG2-CG2 4.12Å; T560-T583 WeakPolarHBondContact OG1-CB 3.28Å; T560-T583 WeakPolarHBondContact OG1-CG2 3.5Å; E567-T583 WeakPolarHBondContact OE2-CB 3.36Å; E567-T583 WeakPolarHBondContact OE2-CG2 3.36Å; E567-T583 PolarHBondContact OE2-OG1 3.03Å; M581-T583 HydrophobicContact CG-CG2 3.73Å; M581-T583 HydrophobicContact SD-CG2 4.22Å; T583-V590 HydrophobicContact CG2-CG1 4.45Å; T583-T598 PolarHBondContact N-O 2.82Å; T583-T599 VanDerWaalsContact O-CA 3.26Å; T583-T599 WeakPolarHBondContact O-CA 3.46Å; T583-T599 WeakPolarHBondContact OG1-CG2 3.39Å; T583-S600 PolarHBondContact O-N 2.98Å |
| 584 | S | 81 | Confident | 67.1 | Low | 23 Ų | 23 | 59 Ų | 59 | 16% | 0.161 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | -31.6 | -172.4 | 52 | 0 | 0 | 0 | 0 | 113.2 | T560 S561 S600 E601 | T560-S584 PolarHBondContact O-N 3.21Å; T560-S584 PolarHBondContact O-OG 2.74Å; T560-S584 VanDerWaalsContact O-OG 3.04Å; S561-S584 WeakPolarHBondContact CA-OG 3.3Å; S561-S584 PolarHBondContact O-OG 3.21Å; S584-S600 WeakPolarHBondContact O-CB 3.34Å; S584-E601 PolarHBondContact O-N 3.42Å; S584-E601 VanDerWaalsContact O-N 3.13Å |
| 585 | R | 81.9 | Confident | 68.6 | Low | 138 Ų | 138 | 50.3 Ų | 50.3 | 52% | 0.521 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 118.9 | 171.3 | -69.3 | -168.4 | 159.1 | 108.5 | 8.4 | 112.1 | S562 S563 E601 | S562-R585 CarbonylContact C-O 3.59Å; S562-R585 VanDerWaalsContact CA-O 3.22Å; S562-R585 WeakPolarHBondContact CA-O 3.15Å; S563-R585 PolarHBondContact N-O 2.91Å; R585-E601 CarbonylContact C-O 3.55Å; R585-E601 WeakPolarHBondContact CA-O 3.32Å; R585-E601 WeakPolarHBondContact CD-OE2 3.43Å; R585-E601 HydrophobicContact CG-CB 4.22Å; R585-E601 IonicContact CZ-OE1 2.67Å; R585-E601 IonicContact CZ-OE2 3.59Å; R585-E601 IonicContact NE-OE1 2.67Å; R585-E601 PolarHBondContact NE-OE1 2.89Å; R585-E601 IonicContact NE-OE2 2.73Å; R585-E601 PolarHBondContact NE-OE2 2.87Å; R585-E601 IonicContact NH2-OE1 3.87Å; R585-E601 PolarHBondContact NH2-OE1 3.17Å; R585-E601 IonicContact NH2-OE2 3.58Å |
| 586 | S | 81.9 | Confident | 70.1 | Confident | 7 Ų | 7 | 48.6 Ų | 48.6 | 5% | 0.049 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 145.2 | 170.2 | 70.6 | 0 | 0 | 0 | 0 | 112.1 | S563 E567 V590 E601 G603 | S563-S586 WeakPolarHBondContact OG-CA 3.3Å; S563-S586 VanDerWaalsContact OG-CB 3.26Å; S563-S586 WeakPolarHBondContact OG-CB 3.45Å; E567-S586 WeakPolarHBondContact OE2-CB 3.41Å; S586-V590 WeakPolarHBondContact OG-CG2 3.23Å; S586-E601 PolarHBondContact N-O 3.42Å; S586-G603 PolarHBondContact O-N 2.81Å |
| 587 | Q | 79.8 | Confident | 72.2 | Confident | 126 Ų | 126 | 42.1 Ų | 42.1 | 59% | 0.589 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -101.1 | -26.7 | 176.8 | -60.7 | -173 | 3.8 | 0 | 0 | 113.4 | S563 G604 | S563-Q587 PolarHBondContact O-N 3.3Å; Q587-G604 PolarHBondContact O-N 2.88Å |
| 588 | E | 87.3 | Confident | 74.3 | Confident | 88 Ų | 88 | 42 Ų | 42 | 41% | 0.411 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -106.5 | -162.7 | 179.4 | -76.2 | -73.8 | 170.4 | 0 | 0 | 110.5 | Q564 G604 | Q564-E588 WeakPolarHBondContact O-CG 3.35Å; E588-G604 VanDerWaalsContact O-CA 3.25Å; E588-G604 WeakPolarHBondContact O-CA 3.4Å; E588-G604 PolarHBondContact O-N 3.23Å |
| 589 | N | 86.3 | Confident | 76 | Confident | 46 Ų | 46 | 39.2 Ų | 39.2 | 25% | 0.246 | 20% | 0.202 | C | C | . | . | trans | -80.7 | 147.5 | -175.1 | -46.4 | -85.8 | 0 | 0 | 0 | 112.5 | N566 E567 N605 | N566-N589 WeakPolarHBondContact CA-O 3.3Å; N566-N589 WeakPolarHBondContact OD1-CB 3.46Å; N566-N589 PolarHBondContact OD1-N 3.25Å; N566-N589 PolarHBondContact OD1-ND2 3Å; E567-N589 PolarHBondContact N-O 3.2Å; N589-N605 WeakPolarHBondContact CA-O 3.37Å; N589-N605 WeakPolarHBondContact OD1-CB 3.19Å; N589-N605 PolarHBondContact OD1-N 3.35Å; N589-N605 PolarHBondContact OD1-ND2 3.09Å | ||
| 590 | V | 86.3 | Confident | 76.9 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 128.5 | 178.2 | -171.3 | 0 | 0 | 0 | 0 | 108.4 | E567 M581 T583 S586 M597 T602 N605 T606 T607 | E567-V590 HydrophobicContact CB-CG1 4.31Å; E567-V590 WeakPolarHBondContact OE2-CG2 3.46Å; M581-V590 HydrophobicContact CE-CG1 4.34Å; M581-V590 HydrophobicContact SD-CG1 3.33Å; M581-V590 WeakPolarHBondContact SD-CG1 3.39Å; T583-V590 HydrophobicContact CG2-CG1 4.45Å; S586-V590 WeakPolarHBondContact OG-CG2 3.23Å; V590-M597 HydrophobicContact CG1-CE 4.08Å; V590-M597 HydrophobicContact CG1-SD 3.94Å; V590-T602 HydrophobicContact CG2-CG2 4.29Å; V590-N605 PolarHBondContact N-O 2.94Å; V590-T606 HydrophobicContact CB-CG2 4.23Å; V590-T606 HydrophobicContact CG2-CG2 4.44Å; V590-T606 WeakPolarHBondContact O-CA 3.43Å; V590-T607 PolarHBondContact O-N 2.84Å |
| 591 | T | 85.6 | Confident | 77.5 | Confident | 46 Ų | 46 | 41.1 Ų | 41.1 | 28% | 0.282 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 121.2 | -176.9 | -58.9 | 0 | 0 | 0 | 0 | 112.5 | E567 T568 T569 T607 | E567-T591 PolarHBondContact O-N 2.93Å; T568-T591 CarbonylContact C-O 3.59Å; T568-T591 VanDerWaalsContact CA-O 3.26Å; T568-T591 WeakPolarHBondContact CA-O 3.49Å; T569-T591 PolarHBondContact N-O 2.85Å; T591-T607 CarbonylContact C-O 3.54Å; T591-T607 VanDerWaalsContact CA-O 3.26Å; T591-T607 WeakPolarHBondContact CA-O 3.46Å |
| 592 | S | 81.3 | Confident | 77.3 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.007 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 154 | 171.7 | 79.6 | 0 | 0 | 0 | 0 | 111.8 | T569 M597 T607 S608 S609 | T569-S592 WeakPolarHBondContact OG1-CA 3.27Å; T569-S592 WeakPolarHBondContact OG1-CB 3.49Å; S592-M597 WeakPolarHBondContact OG-CE 3.47Å; S592-T607 PolarHBondContact N-O 3.15Å; S592-S608 WeakPolarHBondContact O-CA 3.3Å; S592-S608 WeakPolarHBondContact OG-CB 3.27Å; S592-S609 PolarHBondContact O-N 2.9Å; S592-S609 PolarHBondContact O-OG 3.06Å |
| 593 | S | 69.4 | Low | 76.9 | Confident | 40 Ų | 40 | 41.3 Ų | 41.3 | 28% | 0.28 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -132.4 | 6.8 | -179.7 | 57.6 | 0 | 0 | 0 | 0 | 115 | T569 G570 G571 S609 | T569-S593 PolarHBondContact O-N 2.95Å; T569-S593 PolarHBondContact O-OG 3.05Å; G570-S593 WeakPolarHBondContact CA-OG 3.22Å; G571-S593 PolarHBondContact N-OG 2.81Å; S593-S609 WeakPolarHBondContact CA-O 3.32Å |
| 594 | S | 56.6 | Low | 76.9 | Confident | 19 Ų | 19 | 41.8 Ų | 41.8 | 13% | 0.133 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -156.3 | 9 | -167.5 | 52 | 0 | 0 | 0 | 0 | 117.4 | S578 G579 | S578-S594 CarbonylContact C-O 3.54Å; S578-S594 VanDerWaalsContact CA-O 3.28Å; S578-S594 WeakPolarHBondContact CA-O 3.34Å; G579-S594 PolarHBondContact N-O 3.38Å |
| 595 | G | 63 | Low | 77 | Confident | 2 Ų | 2 | 43.7 Ų | 43.7 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -176.7 | -178.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q612 | G595-Q612 CarbonylContact C-O 3.6Å; G595-Q612 VanDerWaalsContact C-O 3.24Å; G595-Q612 VanDerWaalsContact CA-O 3.3Å; G595-Q612 WeakPolarHBondContact CA-O 3.37Å |
| 596 | E | 64.4 | Low | 77 | Confident | 89 Ų | 89 | 37.2 Ų | 37.2 | 42% | 0.416 | 21% | 0.211 | S | C | . | . | trans | -59.1 | 146.8 | 176.8 | -64.2 | -171.2 | -157.4 | 0 | 0 | 111.8 | M581 D614 | M581-E596 PolarHBondContact N-O 3.02Å; E596-D614 WeakPolarHBondContact CA-O 3.14Å | ||
| 597 | M | 74.4 | Confident | 77.1 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 112.7 | 179.6 | -174.2 | -166.9 | -68.9 | 0 | 0 | 110.1 | M581 V590 S592 T599 T606 D614 V615 T616 | M581-M597 HydrophobicContact CG-CG 4.34Å; M581-M597 CarbonylContact O-C 3.56Å; M581-M597 WeakPolarHBondContact O-CA 3.43Å; M581-M597 HydrophobicContact SD-CE 4.01Å; M581-M597 HydrophobicContact SD-CG 4.12Å; V590-M597 HydrophobicContact CG1-CE 4.08Å; V590-M597 HydrophobicContact CG1-SD 3.94Å; S592-M597 WeakPolarHBondContact OG-CE 3.47Å; M597-T599 HydrophobicContact CG-CG2 3.86Å; M597-T599 HydrophobicContact SD-CG2 3.99Å; M597-T606 HydrophobicContact SD-CG2 4.4Å; M597-D614 PolarHBondContact N-O 3.49Å; M597-V615 HydrophobicContact CB-CG2 4.44Å; M597-V615 HydrophobicContact SD-CG1 4.42Å; M597-T616 PolarHBondContact O-N 3.45Å |
| 598 | T | 81.1 | Confident | 77.2 | Confident | 55 Ų | 55 | 33.4 Ų | 33.4 | 34% | 0.337 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 134 | 168.7 | 81.6 | 0 | 0 | 0 | 0 | 110.2 | M581 S582 T583 T616 | M581-T598 PolarHBondContact O-N 3Å; S582-T598 WeakPolarHBondContact CA-O 3.33Å; S582-T598 WeakPolarHBondContact CA-OG1 3.33Å; S582-T598 WeakPolarHBondContact CB-OG1 3.39Å; S582-T598 PolarHBondContact OG-OG1 2.81Å; T583-T598 PolarHBondContact N-O 2.82Å; T598-T616 CarbonylContact C-O 3.58Å; T598-T616 WeakPolarHBondContact CA-O 3.4Å |
| 599 | T | 78.6 | Confident | 76.3 | Confident | 5 Ų | 5 | 32.4 Ų | 32.4 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 138.9 | 179.8 | 61.2 | 0 | 0 | 0 | 0 | 112 | T583 M597 T602 T616 S617 S618 | T583-T599 VanDerWaalsContact O-CA 3.26Å; T583-T599 WeakPolarHBondContact O-CA 3.46Å; T583-T599 WeakPolarHBondContact OG1-CG2 3.39Å; M597-T599 HydrophobicContact CG-CG2 3.86Å; M597-T599 HydrophobicContact SD-CG2 3.99Å; T599-T602 HydrophobicContact CG2-CG2 3.92Å; T599-T616 PolarHBondContact N-O 3.35Å; T599-T616 PolarHBondContact OG1-O 2.68Å; T599-S617 VanDerWaalsContact O-CA 3.31Å; T599-S617 WeakPolarHBondContact O-CA 3.49Å; T599-S617 WeakPolarHBondContact OG1-CB 3.49Å; T599-S618 PolarHBondContact O-N 3.22Å |
| 600 | S | 72.9 | Confident | 75.2 | Confident | 51 Ų | 51 | 31 Ų | 31 | 36% | 0.357 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | -51.8 | -179.6 | -40 | 0 | 0 | 0 | 0 | 113.7 | T583 S584 S618 G619 | T583-S600 PolarHBondContact O-N 2.98Å; S584-S600 WeakPolarHBondContact O-CB 3.34Å; S600-S618 WeakPolarHBondContact CA-OG 3.01Å; S600-S618 CarbonylContact O-C 3.59Å; S600-G619 VanDerWaalsContact O-CA 3.29Å; S600-G619 WeakPolarHBondContact O-CA 3.45Å; S600-G619 PolarHBondContact O-N 3.17Å |
| 601 | E | 75.8 | Confident | 73.6 | Confident | 92 Ų | 92 | 35.9 Ų | 35.9 | 43% | 0.43 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 120.9 | 172.9 | -62.6 | 172.7 | -161.6 | 0 | 0 | 109.7 | S584 R585 S586 G619 | S584-E601 PolarHBondContact O-N 3.42Å; S584-E601 VanDerWaalsContact O-N 3.13Å; R585-E601 CarbonylContact C-O 3.55Å; R585-E601 WeakPolarHBondContact CA-O 3.32Å; R585-E601 WeakPolarHBondContact CD-OE2 3.43Å; R585-E601 HydrophobicContact CG-CB 4.22Å; R585-E601 IonicContact CZ-OE1 2.67Å; R585-E601 IonicContact CZ-OE2 3.59Å; R585-E601 IonicContact NE-OE1 2.67Å; R585-E601 PolarHBondContact NE-OE1 2.89Å; R585-E601 IonicContact NE-OE2 2.73Å; R585-E601 PolarHBondContact NE-OE2 2.87Å; R585-E601 IonicContact NH2-OE1 3.87Å; R585-E601 PolarHBondContact NH2-OE1 3.17Å; R585-E601 IonicContact NH2-OE2 3.58Å; S586-E601 PolarHBondContact N-O 3.42Å; E601-G619 WeakPolarHBondContact CA-O 3.41Å |
| 602 | T | 72.4 | Confident | 72.1 | Confident | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.018 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 115 | -179.8 | 70.1 | 0 | 0 | 0 | 0 | 113.1 | V590 T599 T606 G619 S620 S621 | V590-T602 HydrophobicContact CG2-CG2 4.29Å; T599-T602 HydrophobicContact CG2-CG2 3.92Å; T602-T606 HydrophobicContact CG2-CG2 4.04Å; T602-G619 PolarHBondContact N-O 3.11Å; T602-S620 WeakPolarHBondContact OG1-CA 3.37Å; T602-S620 WeakPolarHBondContact OG1-CB 3.48Å; T602-S620 PolarHBondContact OG1-OG 2.9Å; T602-S621 PolarHBondContact O-N 3.25Å; T602-S621 PolarHBondContact O-OG 3.36Å |
| 603 | G | 74.5 | Confident | 70.9 | Confident | 35 Ų | 35 | 39.1 Ų | 39.1 | 36% | 0.361 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -68 | -51 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | S586 S621 G622 | S586-G603 PolarHBondContact O-N 2.81Å; G603-S621 WeakPolarHBondContact CA-OG 3.35Å; G603-S621 PolarHBondContact O-OG 2.98Å; G603-S621 VanDerWaalsContact O-OG 3.05Å; G603-G622 PolarHBondContact O-N 3.07Å |
| 604 | G | 79.8 | Confident | 70.6 | Confident | 12 Ų | 12 | 39.7 Ų | 39.7 | 12% | 0.124 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -87.2 | -172.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q587 E588 G622 | Q587-G604 PolarHBondContact O-N 2.88Å; E588-G604 VanDerWaalsContact O-CA 3.25Å; E588-G604 WeakPolarHBondContact O-CA 3.4Å; E588-G604 PolarHBondContact O-N 3.23Å; G604-G622 WeakPolarHBondContact O-CA 3.41Å |
| 605 | N | 83.3 | Confident | 71.4 | Confident | 63 Ų | 63 | 38.9 Ų | 38.9 | 34% | 0.337 | 23% | 0.234 | S | C | . | . | trans | -73.1 | 147.3 | -178.8 | -55.8 | -50 | 0 | 0 | 0 | 111.4 | N589 V590 N623 | N589-N605 WeakPolarHBondContact CA-O 3.37Å; N589-N605 WeakPolarHBondContact OD1-CB 3.19Å; N589-N605 PolarHBondContact OD1-N 3.35Å; N589-N605 PolarHBondContact OD1-ND2 3.09Å; V590-N605 PolarHBondContact N-O 2.94Å; N605-N623 CarbonylContact C-O 3.58Å; N605-N623 VanDerWaalsContact CA-O 3.25Å; N605-N623 WeakPolarHBondContact CA-O 3.43Å; N605-N623 WeakPolarHBondContact CB-O 3.44Å; N605-N623 WeakPolarHBondContact OD1-CB 3.37Å; N605-N623 PolarHBondContact OD1-N 2.83Å | ||
| 606 | T | 82.6 | Confident | 72.1 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.012 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 129.1 | 170.4 | 54.1 | 0 | 0 | 0 | 0 | 109.9 | V590 M597 T602 N623 G624 T625 | V590-T606 HydrophobicContact CB-CG2 4.23Å; V590-T606 HydrophobicContact CG2-CG2 4.44Å; V590-T606 WeakPolarHBondContact O-CA 3.43Å; M597-T606 HydrophobicContact SD-CG2 4.4Å; T602-T606 HydrophobicContact CG2-CG2 4.04Å; T606-N623 PolarHBondContact N-O 2.82Å; T606-G624 CarbonylContact O-C 3.59Å; T606-G624 WeakPolarHBondContact OG1-CA 3.28Å; T606-T625 PolarHBondContact O-N 3.49Å; T606-T625 PolarHBondContact O-OG1 3.45Å |
| 607 | T | 84.1 | Confident | 72.5 | Confident | 47 Ų | 47 | 38 Ų | 38 | 29% | 0.288 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 112.4 | 179.6 | -62.1 | 0 | 0 | 0 | 0 | 111 | V590 T591 S592 T625 | V590-T607 PolarHBondContact O-N 2.84Å; T591-T607 CarbonylContact C-O 3.54Å; T591-T607 VanDerWaalsContact CA-O 3.26Å; T591-T607 WeakPolarHBondContact CA-O 3.46Å; S592-T607 PolarHBondContact N-O 3.15Å; T607-T625 WeakPolarHBondContact CA-O 3.48Å; T607-T625 WeakPolarHBondContact CA-OG1 3.37Å; T607-T625 WeakPolarHBondContact CB-OG1 3.04Å; T607-T625 PolarHBondContact OG1-OG1 3.29Å |
| 608 | S | 80.7 | Confident | 71.8 | Confident | 5 Ų | 5 | 40.9 Ų | 40.9 | 4% | 0.035 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 140.2 | 164 | 70.5 | 0 | 0 | 0 | 0 | 110.2 | S592 A613 V615 T625 S626 S627 | S592-S608 WeakPolarHBondContact O-CA 3.3Å; S592-S608 WeakPolarHBondContact OG-CB 3.27Å; S608-A613 WeakPolarHBondContact CB-O 3.01Å; S608-A613 PolarHBondContact OG-O 3.19Å; S608-V615 WeakPolarHBondContact OG-CG2 3.35Å; S608-T625 PolarHBondContact N-O 2.04Å; S608-S626 WeakPolarHBondContact OG-CA 3.05Å; S608-S627 PolarHBondContact O-N 3.41Å |
| 609 | S | 69.3 | Low | 70.9 | Confident | 68 Ų | 68 | 39.7 Ų | 39.7 | 48% | 0.476 | 25% | 0.253 | S | S | . | . | trans | -146.1 | 75.6 | 179 | 65.3 | 0 | 0 | 0 | 0 | 111.9 | S592 S593 | S592-S609 PolarHBondContact O-N 2.9Å; S592-S609 PolarHBondContact O-OG 3.06Å; S593-S609 WeakPolarHBondContact CA-O 3.32Å | ||
| 610 | G | 63.2 | Low | 70.2 | Confident | 17 Ų | 17 | 39.9 Ų | 39.9 | 18% | 0.175 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -150.9 | -179.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | A613 S627 | G610-A613 WeakPolarHBondContact O-CB 3.27Å; G610-S627 PolarHBondContact N-OG 2.81Å; G610-S627 PolarHBondContact O-OG 2.86Å |
| 611 | P | 53.4 | Low | 70 | Confident | 102 Ų | 102 | 41.1 Ų | 41.1 | 66% | 0.662 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -96.4 | 13.8 | 179.7 | 40.2 | -36.9 | 0 | 0 | 0 | 114.3 | ||
| 612 | Q | 53 | Low | 69.9 | Low | 114 Ų | 114 | 37.3 Ų | 37.3 | 53% | 0.533 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -155.4 | 75.3 | 168.3 | -76.8 | -170.4 | -109.1 | 0 | 0 | 105.2 | G595 E628 | G595-Q612 CarbonylContact C-O 3.6Å; G595-Q612 VanDerWaalsContact C-O 3.24Å; G595-Q612 VanDerWaalsContact CA-O 3.3Å; G595-Q612 WeakPolarHBondContact CA-O 3.37Å; Q612-E628 WeakPolarHBondContact CA-OE2 3.44Å; Q612-E628 PolarHBondContact N-OE2 3.43Å |
| 613 | A | 57.2 | Low | 70.2 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.008 | 27% | 0.265 | C | S | . | . | trans | -119.5 | 32.2 | -158.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | S608 G610 S626 S627 E628 | S608-A613 WeakPolarHBondContact CB-O 3.01Å; S608-A613 PolarHBondContact OG-O 3.19Å; G610-A613 WeakPolarHBondContact O-CB 3.27Å; A613-S626 PolarHBondContact O-OG 3.22Å; A613-S626 VanDerWaalsContact O-OG 3.12Å; A613-S627 WeakPolarHBondContact CB-OG 3.43Å; A613-E628 HydrophobicContact CB-CB 4.46Å; A613-E628 HydrophobicContact CB-CG 4.49Å; A613-E628 PolarHBondContact N-OE2 3.1Å | ||
| 614 | D | 62.8 | Low | 70.5 | Confident | 52 Ų | 52 | 39 Ų | 39 | 28% | 0.278 | 25% | 0.25 | S | S | . | . | trans | -71.3 | 135.9 | -170.6 | -57.2 | -39.4 | 0 | 0 | 0 | 111.8 | E596 M597 E629 | E596-D614 WeakPolarHBondContact CA-O 3.14Å; M597-D614 PolarHBondContact N-O 3.49Å; D614-E629 WeakPolarHBondContact OD1-CA 3.47Å; D614-E629 VanDerWaalsContact OD1-CB 3.27Å; D614-E629 WeakPolarHBondContact OD1-CB 3.39Å; D614-E629 PolarHBondContact OD1-N 2.66Å | ||
| 615 | V | 72.8 | Confident | 70.6 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 118.3 | -175.4 | -178.9 | 0 | 0 | 0 | 0 | 109.9 | M597 S608 E629 M630 T631 | M597-V615 HydrophobicContact CB-CG2 4.44Å; M597-V615 HydrophobicContact SD-CG1 4.42Å; S608-V615 WeakPolarHBondContact OG-CG2 3.35Å; V615-E629 PolarHBondContact N-O 2.78Å; V615-M630 HydrophobicContact CB-CG 4.46Å; V615-M630 CarbonylContact O-C 3.6Å; V615-M630 WeakPolarHBondContact O-CA 3.5Å; V615-T631 PolarHBondContact O-N 2.04Å |
| 616 | T | 78.6 | Confident | 70.6 | Confident | 67 Ų | 67 | 38 Ų | 38 | 41% | 0.411 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 120.5 | 171 | -62.3 | 0 | 0 | 0 | 0 | 109.8 | M597 T598 T599 T631 | M597-T616 PolarHBondContact O-N 3.45Å; T598-T616 CarbonylContact C-O 3.58Å; T598-T616 WeakPolarHBondContact CA-O 3.4Å; T599-T616 PolarHBondContact N-O 3.35Å; T599-T616 PolarHBondContact OG1-O 2.68Å; T616-T631 CarbonylContact C-O 3.55Å; T616-T631 VanDerWaalsContact CA-O 3.27Å; T616-T631 WeakPolarHBondContact CA-O 3.17Å |
| 617 | S | 72.3 | Confident | 70.3 | Confident | 5 Ų | 5 | 39.7 Ų | 39.7 | 4% | 0.035 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 141.4 | 176.2 | 84.8 | 0 | 0 | 0 | 0 | 115.9 | T599 S620 T631 T632 S633 | T599-S617 VanDerWaalsContact O-CA 3.31Å; T599-S617 WeakPolarHBondContact O-CA 3.49Å; T599-S617 WeakPolarHBondContact OG1-CB 3.49Å; S617-S620 WeakPolarHBondContact CB-OG 3.37Å; S617-S620 PolarHBondContact OG-OG 2.89Å; S617-S620 VanDerWaalsContact OG-OG 3.09Å; S617-T631 PolarHBondContact N-O 3.41Å; S617-T632 CarbonylContact O-C 3.59Å; S617-T632 WeakPolarHBondContact O-CA 3.37Å; S617-T632 WeakPolarHBondContact OG-CG2 3.39Å; S617-S633 PolarHBondContact O-N 2.93Å |
| 618 | S | 59 | Low | 70 | Confident | 62 Ų | 62 | 40.8 Ų | 40.8 | 43% | 0.434 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -114.5 | 3.4 | -178.4 | 53.4 | 0 | 0 | 0 | 0 | 115.8 | T599 S600 S633 | T599-S618 PolarHBondContact O-N 3.22Å; S600-S618 WeakPolarHBondContact CA-OG 3.01Å; S600-S618 CarbonylContact O-C 3.59Å; S618-S633 WeakPolarHBondContact CB-OG 3.4Å |
| 619 | G | 62 | Low | 69.7 | Low | 30 Ų | 30 | 44.3 Ų | 44.3 | 31% | 0.309 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -174.8 | 53.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | S600 E601 T602 | S600-G619 VanDerWaalsContact O-CA 3.29Å; S600-G619 WeakPolarHBondContact O-CA 3.45Å; S600-G619 PolarHBondContact O-N 3.17Å; E601-G619 WeakPolarHBondContact CA-O 3.41Å; T602-G619 PolarHBondContact N-O 3.11Å |
| 620 | S | 63.7 | Low | 70.1 | Confident | 8 Ų | 8 | 41.3 Ų | 41.3 | 6% | 0.056 | 25% | 0.253 | C | S | . | . | B | Isolated β-bridge | trans | -92.3 | 122.6 | -177.1 | -60.5 | 0 | 0 | 0 | 0 | 113.2 | T602 S617 A634 S635 G636 | T602-S620 WeakPolarHBondContact OG1-CA 3.37Å; T602-S620 WeakPolarHBondContact OG1-CB 3.48Å; T602-S620 PolarHBondContact OG1-OG 2.9Å; S617-S620 WeakPolarHBondContact CB-OG 3.37Å; S617-S620 PolarHBondContact OG-OG 2.89Å; S617-S620 VanDerWaalsContact OG-OG 3.09Å; S620-A634 PolarHBondContact N-O 2.77Å; S620-S635 CarbonylContact O-C 3.57Å; S620-S635 WeakPolarHBondContact O-CA 3.31Å; S620-G636 PolarHBondContact O-N 3.12Å |
| 621 | S | 69.8 | Low | 71 | Confident | 78 Ų | 78 | 42.9 Ų | 42.9 | 55% | 0.545 | 26% | 0.259 | S | S | . | . | trans | -91.9 | -22.7 | 172.5 | 59.8 | 0 | 0 | 0 | 0 | 114.5 | T602 G603 G637 | T602-S621 PolarHBondContact O-N 3.25Å; T602-S621 PolarHBondContact O-OG 3.36Å; G603-S621 WeakPolarHBondContact CA-OG 3.35Å; G603-S621 PolarHBondContact O-OG 2.98Å; G603-S621 VanDerWaalsContact O-OG 3.05Å; S621-G637 PolarHBondContact O-N 3.16Å | ||
| 622 | G | 73.7 | Confident | 71.9 | Confident | 11 Ų | 11 | 38.3 Ų | 38.3 | 11% | 0.113 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -82 | 175.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | G603 G604 G637 | G603-G622 PolarHBondContact O-N 3.07Å; G604-G622 WeakPolarHBondContact O-CA 3.41Å; G622-G637 WeakPolarHBondContact O-CA 3.26Å |
| 623 | N | 79.5 | Confident | 72.5 | Confident | 68 Ų | 68 | 35.6 Ų | 35.6 | 36% | 0.364 | 22% | 0.223 | S | C | . | . | trans | -73.9 | 138.9 | 178.6 | -62.8 | -35.8 | 0 | 0 | 0 | 111.1 | N605 T606 N638 | N605-N623 CarbonylContact C-O 3.58Å; N605-N623 VanDerWaalsContact CA-O 3.25Å; N605-N623 WeakPolarHBondContact CA-O 3.43Å; N605-N623 WeakPolarHBondContact CB-O 3.44Å; N605-N623 WeakPolarHBondContact OD1-CB 3.37Å; N605-N623 PolarHBondContact OD1-N 2.83Å; T606-N623 PolarHBondContact N-O 2.82Å; N623-N638 CarbonylContact C-O 3.56Å; N623-N638 WeakPolarHBondContact CA-O 3.24Å; N623-N638 WeakPolarHBondContact CB-O 3.03Å; N623-N638 WeakPolarHBondContact OD1-CB 3.28Å; N623-N638 PolarHBondContact OD1-N 2.99Å | ||
| 624 | G | 79.9 | Confident | 72.5 | Confident | 5 Ų | 5 | 37.3 Ų | 37.3 | 5% | 0.052 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 137.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | T606 N638 M639 T640 | T606-G624 CarbonylContact O-C 3.59Å; T606-G624 WeakPolarHBondContact OG1-CA 3.28Å; G624-N638 PolarHBondContact N-O 3.05Å; G624-M639 CarbonylContact O-C 3.58Å; G624-M639 WeakPolarHBondContact O-CA 3.46Å; G624-T640 PolarHBondContact O-N 2.88Å; G624-T640 PolarHBondContact O-OG1 2.64Å |
| 625 | T | 82.9 | Confident | 72.3 | Confident | 48 Ų | 48 | 35.1 Ų | 35.1 | 29% | 0.294 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 116.7 | 175.3 | 34.8 | 0 | 0 | 0 | 0 | 110.2 | T606 T607 S608 T640 | T606-T625 PolarHBondContact O-N 3.49Å; T606-T625 PolarHBondContact O-OG1 3.45Å; T607-T625 WeakPolarHBondContact CA-O 3.48Å; T607-T625 WeakPolarHBondContact CA-OG1 3.37Å; T607-T625 WeakPolarHBondContact CB-OG1 3.04Å; T607-T625 PolarHBondContact OG1-OG1 3.29Å; S608-T625 PolarHBondContact N-O 2.04Å; T625-T640 CarbonylContact C-O 3.48Å; T625-T640 WeakPolarHBondContact CA-O 3.31Å; T625-T640 WeakPolarHBondContact CG2-OG1 3.04Å |
| 626 | S | 82.5 | Confident | 71.9 | Confident | 7 Ų | 7 | 36.7 Ų | 36.7 | 5% | 0.049 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 137.1 | 173.7 | 176.2 | 0 | 0 | 0 | 0 | 111.5 | S608 A613 E628 E629 T640 S641 S642 | S608-S626 WeakPolarHBondContact OG-CA 3.05Å; A613-S626 PolarHBondContact O-OG 3.22Å; A613-S626 VanDerWaalsContact O-OG 3.12Å; S626-E628 VanDerWaalsContact C-N 3.29Å; S626-E628 VanDerWaalsContact OG-C 3.3Å; S626-E628 PolarHBondContact OG-N 3.5Å; S626-E628 PolarHBondContact OG-O 3.44Å; S626-E629 WeakPolarHBondContact CB-O 3.41Å; S626-E629 PolarHBondContact OG-O 3.3Å; S626-T640 PolarHBondContact N-O 3.49Å; S626-S641 WeakPolarHBondContact O-CA 3.02Å; S626-S642 PolarHBondContact O-N 3.19Å |
| 627 | S | 76.2 | Confident | 71.7 | Confident | 37 Ų | 37 | 33.8 Ų | 33.8 | 26% | 0.259 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -75.2 | -17.6 | 168.6 | 49.1 | 0 | 0 | 0 | 0 | 113.2 | S608 G610 A613 S642 | S608-S627 PolarHBondContact O-N 3.41Å; G610-S627 PolarHBondContact N-OG 2.81Å; G610-S627 PolarHBondContact O-OG 2.86Å; A613-S627 WeakPolarHBondContact CB-OG 3.43Å; S627-S642 WeakPolarHBondContact O-CB 3.48Å; S627-S642 PolarHBondContact O-OG 2.78Å |
| 628 | E | 77 | Confident | 72.1 | Confident | 70 Ų | 70 | 36.9 Ų | 36.9 | 33% | 0.327 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -131.9 | -127.5 | -179.6 | -63.1 | -170.6 | 146.6 | 0 | 0 | 110.9 | Q612 A613 S626 G643 | Q612-E628 WeakPolarHBondContact CA-OE2 3.44Å; Q612-E628 PolarHBondContact N-OE2 3.43Å; A613-E628 HydrophobicContact CB-CB 4.46Å; A613-E628 HydrophobicContact CB-CG 4.49Å; A613-E628 PolarHBondContact N-OE2 3.1Å; S626-E628 VanDerWaalsContact C-N 3.29Å; S626-E628 VanDerWaalsContact OG-C 3.3Å; S626-E628 PolarHBondContact OG-N 3.5Å; S626-E628 PolarHBondContact OG-O 3.44Å; E628-G643 WeakPolarHBondContact O-CA 3.07Å; E628-G643 PolarHBondContact O-N 3.14Å |
| 629 | E | 75.8 | Confident | 73.2 | Confident | 80 Ų | 80 | 34.2 Ų | 34.2 | 37% | 0.374 | 22% | 0.223 | S | C | . | . | trans | -80 | 167.2 | -176.8 | -49.7 | -150.7 | 165.3 | 0 | 0 | 112.6 | D614 V615 S626 Q644 | D614-E629 WeakPolarHBondContact OD1-CA 3.47Å; D614-E629 VanDerWaalsContact OD1-CB 3.27Å; D614-E629 WeakPolarHBondContact OD1-CB 3.39Å; D614-E629 PolarHBondContact OD1-N 2.66Å; V615-E629 PolarHBondContact N-O 2.78Å; S626-E629 WeakPolarHBondContact CB-O 3.41Å; S626-E629 PolarHBondContact OG-O 3.3Å; E629-Q644 CarbonylContact C-O 3.5Å; E629-Q644 VanDerWaalsContact CA-O 3.28Å; E629-Q644 WeakPolarHBondContact CA-O 3.27Å; E629-Q644 HydrophobicContact CG-CB 4.07Å; E629-Q644 WeakPolarHBondContact OE1-CB 3.32Å; E629-Q644 PolarHBondContact OE2-NE2 3.16Å | ||
| 630 | M | 77.8 | Confident | 74.2 | Confident | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.02 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 123.8 | -178.6 | 179.9 | 179.4 | -67.7 | 0 | 0 | 110.7 | V615 T632 M639 Q644 T645 V646 | V615-M630 HydrophobicContact CB-CG 4.46Å; V615-M630 CarbonylContact O-C 3.6Å; V615-M630 WeakPolarHBondContact O-CA 3.5Å; M630-T632 HydrophobicContact CG-CG2 3.95Å; M630-T632 HydrophobicContact SD-CG2 4.43Å; M630-M639 HydrophobicContact SD-CB 3.91Å; M630-M639 HydrophobicContact SD-CG 4.05Å; M630-M639 HydrophobicContact SD-SD 3.83Å; M630-Q644 PolarHBondContact N-O 2.97Å; M630-T645 HydrophobicContact CB-CG2 4.33Å; M630-T645 CarbonylContact O-C 3.56Å; M630-T645 WeakPolarHBondContact O-CA 3.36Å; M630-V646 PolarHBondContact O-N 2.91Å |
| 631 | T | 80.5 | Confident | 75.2 | Confident | 51 Ų | 51 | 35.6 Ų | 35.6 | 31% | 0.313 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 117.6 | 179.7 | -63.7 | 0 | 0 | 0 | 0 | 109.9 | V615 T616 S617 V646 | V615-T631 PolarHBondContact O-N 2.04Å; T616-T631 CarbonylContact C-O 3.55Å; T616-T631 VanDerWaalsContact CA-O 3.27Å; T616-T631 WeakPolarHBondContact CA-O 3.17Å; S617-T631 PolarHBondContact N-O 3.41Å; T631-V646 CarbonylContact C-O 3.58Å; T631-V646 VanDerWaalsContact CA-O 3.29Å; T631-V646 WeakPolarHBondContact CA-O 3.46Å; T631-V646 HydrophobicContact CG2-CB 4.29Å; T631-V646 HydrophobicContact CG2-CG1 4.43Å |
| 632 | T | 73.7 | Confident | 75.7 | Confident | 5 Ų | 5 | 35.4 Ų | 35.4 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 138.8 | -176.7 | 66.6 | 0 | 0 | 0 | 0 | 114.9 | S617 M630 M639 V646 T647 S648 | S617-T632 CarbonylContact O-C 3.59Å; S617-T632 WeakPolarHBondContact O-CA 3.37Å; S617-T632 WeakPolarHBondContact OG-CG2 3.39Å; M630-T632 HydrophobicContact CG-CG2 3.95Å; M630-T632 HydrophobicContact SD-CG2 4.43Å; T632-M639 HydrophobicContact CG2-SD 3.68Å; T632-M639 PolarHBondContact OG1-SD 2.87Å; T632-V646 PolarHBondContact N-O 3.49Å; T632-T647 WeakPolarHBondContact O-CA 3.1Å; T632-S648 PolarHBondContact O-N 2.89Å |
| 633 | S | 64.1 | Low | 75.9 | Confident | 57 Ų | 57 | 35.7 Ų | 35.7 | 40% | 0.399 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -84.4 | -43.7 | 174.7 | -33.5 | 0 | 0 | 0 | 0 | 111.8 | S617 S618 S648 S649 | S617-S633 PolarHBondContact O-N 2.93Å; S618-S633 WeakPolarHBondContact CB-OG 3.4Å; S633-S648 WeakPolarHBondContact CA-OG 3.27Å; S633-S648 PolarHBondContact O-OG 3.03Å; S633-S648 VanDerWaalsContact O-OG 3.05Å; S633-S649 PolarHBondContact O-N 3.33Å; S633-S649 VanDerWaalsContact O-N 3.17Å; S633-S649 PolarHBondContact O-OG 3.37Å |
| 634 | A | 57.8 | Low | 75.8 | Confident | 37 Ų | 37 | 35.7 Ų | 35.7 | 31% | 0.306 | 23% | 0.225 | S | C | . | . | trans | -153.6 | 131.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S620 S649 | S620-A634 PolarHBondContact N-O 2.77Å; A634-S649 WeakPolarHBondContact CA-OG 3.34Å; A634-S649 WeakPolarHBondContact CB-OG 3.36Å | ||
| 635 | S | 59.4 | Low | 75.9 | Confident | 7 Ų | 7 | 35.5 Ų | 35.5 | 5% | 0.049 | 22% | 0.223 | C | C | . | . | B | Isolated β-bridge | trans | -136.2 | 122.2 | 179 | 66.6 | 0 | 0 | 0 | 0 | 113 | S620 M639 S649 S650 E651 | S620-S635 CarbonylContact O-C 3.57Å; S620-S635 WeakPolarHBondContact O-CA 3.31Å; S635-M639 WeakPolarHBondContact OG-CE 3.42Å; S635-M639 PolarHBondContact OG-SD 2.76Å; S635-S649 PolarHBondContact N-O 3.43Å; S635-S650 WeakPolarHBondContact OG-CB 3.2Å; S635-E651 PolarHBondContact O-N 3.24Å |
| 636 | G | 63.3 | Low | 75.7 | Confident | 34 Ų | 34 | 34.6 Ų | 34.6 | 35% | 0.351 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -83.9 | -26.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S620 | S620-G636 PolarHBondContact O-N 3.12Š|
| 637 | G | 75.1 | Confident | 75.4 | Confident | 6 Ų | 6 | 34.3 Ų | 34.3 | 6% | 0.062 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -93.6 | 170.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | S621 G622 G652 | S621-G637 PolarHBondContact O-N 3.16Å; G622-G637 WeakPolarHBondContact O-CA 3.26Å; G637-G652 WeakPolarHBondContact O-CA 3.31Å |
| 638 | N | 80.9 | Confident | 75 | Confident | 70 Ų | 70 | 34.3 Ų | 34.3 | 37% | 0.374 | 22% | 0.215 | S | C | . | . | trans | -69.8 | 137.4 | 175.7 | -65.1 | -34.2 | 0 | 0 | 0 | 110.4 | N623 G624 N653 | N623-N638 CarbonylContact C-O 3.56Å; N623-N638 WeakPolarHBondContact CA-O 3.24Å; N623-N638 WeakPolarHBondContact CB-O 3.03Å; N623-N638 WeakPolarHBondContact OD1-CB 3.28Å; N623-N638 PolarHBondContact OD1-N 2.99Å; G624-N638 PolarHBondContact N-O 3.05Å; N638-N653 CarbonylContact C-O 3.57Å; N638-N653 VanDerWaalsContact CA-O 3.29Å; N638-N653 WeakPolarHBondContact CA-O 3.47Å; N638-N653 WeakPolarHBondContact OD1-CB 3.14Å; N638-N653 PolarHBondContact OD1-N 3.18Å | ||
| 639 | M | 82.5 | Confident | 74.4 | Confident | 6 Ų | 6 | 32.9 Ų | 32.9 | 3% | 0.03 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 142.4 | 178.5 | -68.1 | -170.4 | -65.3 | 0 | 0 | 111.6 | G624 M630 T632 S635 T647 N653 V654 T655 | G624-M639 CarbonylContact O-C 3.58Å; G624-M639 WeakPolarHBondContact O-CA 3.46Å; M630-M639 HydrophobicContact SD-CB 3.91Å; M630-M639 HydrophobicContact SD-CG 4.05Å; M630-M639 HydrophobicContact SD-SD 3.83Å; T632-M639 HydrophobicContact CG2-SD 3.68Å; T632-M639 PolarHBondContact OG1-SD 2.87Å; S635-M639 WeakPolarHBondContact OG-CE 3.42Å; S635-M639 PolarHBondContact OG-SD 2.76Å; M639-T647 HydrophobicContact CE-CG2 3.65Å; M639-N653 PolarHBondContact N-O 2.9Å; M639-V654 HydrophobicContact CB-CG1 4.21Å; M639-V654 HydrophobicContact CE-CG1 4.13Å; M639-V654 HydrophobicContact CE-CG2 3.64Å; M639-T655 PolarHBondContact O-N 3.07Å |
| 640 | T | 82.5 | Confident | 74 | Confident | 60 Ų | 60 | 29.4 Ų | 29.4 | 37% | 0.368 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 118.7 | -178.3 | -2.6 | 0 | 0 | 0 | 0 | 110.1 | G624 T625 S626 T655 | G624-T640 PolarHBondContact O-N 2.88Å; G624-T640 PolarHBondContact O-OG1 2.64Å; T625-T640 CarbonylContact C-O 3.48Å; T625-T640 WeakPolarHBondContact CA-O 3.31Å; T625-T640 WeakPolarHBondContact CG2-OG1 3.04Å; S626-T640 PolarHBondContact N-O 3.49Å; T640-T655 CarbonylContact C-O 3.58Å; T640-T655 VanDerWaalsContact CA-O 3.29Å; T640-T655 WeakPolarHBondContact CA-O 3.46Å; T640-T655 HydrophobicContact CG2-CG2 4.42Å |
| 641 | S | 85 | Confident | 73.6 | Confident | 7 Ų | 7 | 36.9 Ų | 36.9 | 5% | 0.049 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 151 | 175.5 | 72.2 | 0 | 0 | 0 | 0 | 112.8 | S626 G643 T645 T655 S656 S657 | S626-S641 WeakPolarHBondContact O-CA 3.02Å; S641-G643 PolarHBondContact OG-O 2.94Å; S641-T645 PolarHBondContact OG-OG1 2.94Å; S641-T655 PolarHBondContact N-O 3.19Å; S641-S656 PolarHBondContact OG-OG 2.69Å; S641-S657 PolarHBondContact O-N 2.92Å; S641-S657 PolarHBondContact O-OG 3.4Å |
| 642 | S | 79.4 | Confident | 73.2 | Confident | 73 Ų | 73 | 34.8 Ų | 34.8 | 51% | 0.51 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -94.9 | -23.1 | 168.2 | -26.8 | 0 | 0 | 0 | 0 | 112.7 | S626 S627 S657 | S626-S642 PolarHBondContact O-N 3.19Å; S627-S642 WeakPolarHBondContact O-CB 3.48Å; S627-S642 PolarHBondContact O-OG 2.78Å; S642-S657 WeakPolarHBondContact O-CB 3.41Å |
| 643 | G | 78.8 | Confident | 73.4 | Confident | 18 Ų | 18 | 37.9 Ų | 37.9 | 19% | 0.186 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -99.4 | -162.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E628 S641 S656 G658 | E628-G643 WeakPolarHBondContact O-CA 3.07Å; E628-G643 PolarHBondContact O-N 3.14Å; S641-G643 PolarHBondContact OG-O 2.94Å; G643-S656 PolarHBondContact O-OG 2.76Å; G643-G658 PolarHBondContact O-N 3.38Å |
| 644 | Q | 77.8 | Confident | 74.3 | Confident | 68 Ų | 68 | 35.2 Ų | 35.2 | 32% | 0.318 | 22% | 0.218 | S | C | . | . | trans | -64 | 155.2 | -179.2 | 177.2 | 167.9 | -100.1 | 0 | 0 | 112.5 | E629 M630 T659 | E629-Q644 CarbonylContact C-O 3.5Å; E629-Q644 VanDerWaalsContact CA-O 3.28Å; E629-Q644 WeakPolarHBondContact CA-O 3.27Å; E629-Q644 HydrophobicContact CG-CB 4.07Å; E629-Q644 WeakPolarHBondContact OE1-CB 3.32Å; E629-Q644 PolarHBondContact OE2-NE2 3.16Å; M630-Q644 PolarHBondContact N-O 2.97Å; Q644-T659 CarbonylContact C-O 3.41Å; Q644-T659 VanDerWaalsContact CA-O 3.32Å; Q644-T659 WeakPolarHBondContact CA-O 3.45Å; Q644-T659 WeakPolarHBondContact CG-OG1 3.1Å; Q644-T659 PolarHBondContact OE1-OG1 3.06Å | ||
| 645 | T | 81.2 | Confident | 75.5 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 127.3 | 178.2 | -34.9 | 0 | 0 | 0 | 0 | 110.9 | M630 S641 T647 V654 S656 T659 M660 S661 | M630-T645 HydrophobicContact CB-CG2 4.33Å; M630-T645 CarbonylContact O-C 3.56Å; M630-T645 WeakPolarHBondContact O-CA 3.36Å; S641-T645 PolarHBondContact OG-OG1 2.94Å; T645-T647 HydrophobicContact CG2-CG2 3.72Å; T645-V654 HydrophobicContact CG2-CG1 4.19Å; T645-S656 WeakPolarHBondContact OG1-CB 3.5Å; T645-S656 PolarHBondContact OG1-OG 3.47Å; T645-T659 PolarHBondContact N-O 3.22Å; T645-M660 CarbonylContact O-C 3.05Å; T645-M660 VanDerWaalsContact O-CA 3.3Å; T645-M660 WeakPolarHBondContact O-CA 3.27Å; T645-S661 PolarHBondContact O-N 2.93Å |
| 646 | V | 79.4 | Confident | 76.8 | Confident | 29 Ų | 29 | 36.3 Ų | 36.3 | 18% | 0.176 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 121.8 | 172.4 | -178.8 | 0 | 0 | 0 | 0 | 108.4 | M630 T631 T632 S661 Q663 | M630-V646 PolarHBondContact O-N 2.91Å; T631-V646 CarbonylContact C-O 3.58Å; T631-V646 VanDerWaalsContact CA-O 3.29Å; T631-V646 WeakPolarHBondContact CA-O 3.46Å; T631-V646 HydrophobicContact CG2-CB 4.29Å; T631-V646 HydrophobicContact CG2-CG1 4.43Å; T632-V646 PolarHBondContact N-O 3.49Å; V646-S661 WeakPolarHBondContact CA-O 3.49Å; V646-Q663 HydrophobicContact CG1-CG 3.78Å |
| 647 | T | 75.6 | Confident | 77.7 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 133.1 | -177 | 72.1 | 0 | 0 | 0 | 0 | 112.1 | T632 M639 T645 S661 S662 | T632-T647 WeakPolarHBondContact O-CA 3.1Å; M639-T647 HydrophobicContact CE-CG2 3.65Å; T645-T647 HydrophobicContact CG2-CG2 3.72Å; T647-S661 PolarHBondContact N-O 3.35Å; T647-S662 VanDerWaalsContact O-CA 3.31Å; T647-S662 WeakPolarHBondContact O-CA 3.38Å; T647-S662 WeakPolarHBondContact O-CB 3.39Å |
| 648 | S | 67.8 | Low | 77.9 | Confident | 37 Ų | 37 | 38.4 Ų | 38.4 | 26% | 0.259 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -98.1 | -18.2 | 169.3 | 60 | 0 | 0 | 0 | 0 | 114.7 | T632 S633 T668 | T632-S648 PolarHBondContact O-N 2.89Å; S633-S648 WeakPolarHBondContact CA-OG 3.27Å; S633-S648 PolarHBondContact O-OG 3.03Å; S633-S648 VanDerWaalsContact O-OG 3.05Å; S648-T668 VanDerWaalsContact O-CA 3.28Å; S648-T668 WeakPolarHBondContact O-CA 3.34Å; S648-T668 WeakPolarHBondContact O-CB 3.28Å; S648-T668 VanDerWaalsContact O-CG2 3.24Å; S648-T668 WeakPolarHBondContact O-CG2 3.38Å |
| 649 | S | 65.2 | Low | 77.8 | Confident | 41 Ų | 41 | 37 Ų | 37 | 29% | 0.287 | 23% | 0.226 | S | C | . | . | trans | -159.7 | 146 | 164.8 | 62.7 | 0 | 0 | 0 | 0 | 114.6 | S633 A634 S635 R669 | S633-S649 PolarHBondContact O-N 3.33Å; S633-S649 VanDerWaalsContact O-N 3.17Å; S633-S649 PolarHBondContact O-OG 3.37Å; A634-S649 WeakPolarHBondContact CA-OG 3.34Å; A634-S649 WeakPolarHBondContact CB-OG 3.36Å; S635-S649 PolarHBondContact N-O 3.43Å; S649-R669 CarbonylContact C-O 3.52Å; S649-R669 WeakPolarHBondContact CA-O 3.15Å | ||
| 650 | S | 66.5 | Low | 77.6 | Confident | 6 Ų | 6 | 36.9 Ų | 36.9 | 4% | 0.042 | 23% | 0.225 | C | C | . | . | B | Isolated β-bridge | trans | -147.7 | 127.8 | 175.2 | 64.7 | 0 | 0 | 0 | 0 | 114.7 | S635 V654 R669 S671 | S635-S650 WeakPolarHBondContact OG-CB 3.2Å; S650-V654 WeakPolarHBondContact OG-CG2 3.34Å; S650-R669 PolarHBondContact N-O 2.65Å; S650-S671 WeakPolarHBondContact O-CB 3.21Å; S650-S671 PolarHBondContact O-N 2.92Å; S650-S671 PolarHBondContact O-OG 3.25Å; S650-S671 PolarHBondContact OG-N 2.99Å |
| 651 | E | 68.6 | Low | 77.3 | Confident | 162 Ų | 162 | 36.1 Ų | 36.1 | 76% | 0.757 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -90.9 | -23.4 | 169.1 | -53.5 | -168.8 | 139.4 | 0 | 0 | 112.4 | S635 S671 | S635-E651 PolarHBondContact O-N 3.24Å; E651-S671 WeakPolarHBondContact CA-OG 3.37Å; E651-S671 PolarHBondContact O-OG 3.06Å |
| 652 | G | 73.2 | Confident | 76.3 | Confident | 7 Ų | 7 | 36.2 Ų | 36.2 | 7% | 0.072 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -91.3 | 161.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | G637 S671 | G637-G652 WeakPolarHBondContact O-CA 3.31Å; G652-S671 WeakPolarHBondContact O-CB 3.49Å |
| 653 | N | 78.6 | Confident | 75.2 | Confident | 69 Ų | 69 | 38.6 Ų | 38.6 | 37% | 0.369 | 23% | 0.226 | S | C | . | . | trans | -67 | 136.2 | 177.5 | -63.4 | -22.9 | 0 | 0 | 0 | 110.7 | N638 M639 N672 | N638-N653 CarbonylContact C-O 3.57Å; N638-N653 VanDerWaalsContact CA-O 3.29Å; N638-N653 WeakPolarHBondContact CA-O 3.47Å; N638-N653 WeakPolarHBondContact OD1-CB 3.14Å; N638-N653 PolarHBondContact OD1-N 3.18Å; M639-N653 PolarHBondContact N-O 2.9Å; N653-N672 CarbonylContact C-O 3.55Å; N653-N672 VanDerWaalsContact CA-O 3.23Å; N653-N672 WeakPolarHBondContact CA-O 3.3Å; N653-N672 WeakPolarHBondContact OD1-CB 3.31Å; N653-N672 PolarHBondContact OD1-ND2 2.83Å; N653-N672 VanDerWaalsContact OD1-ND2 3.16Å | ||
| 654 | V | 82.4 | Confident | 73.6 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 125.8 | 178.4 | -166.7 | 0 | 0 | 0 | 0 | 110 | M639 T645 S650 M660 N672 S673 T674 | M639-V654 HydrophobicContact CB-CG1 4.21Å; M639-V654 HydrophobicContact CE-CG1 4.13Å; M639-V654 HydrophobicContact CE-CG2 3.64Å; T645-V654 HydrophobicContact CG2-CG1 4.19Å; S650-V654 WeakPolarHBondContact OG-CG2 3.34Å; V654-M660 HydrophobicContact CB-CE 4.04Å; V654-M660 HydrophobicContact CG1-CE 3.46Å; V654-M660 VanDerWaalsContact CG1-CE 3.46Å; V654-M660 HydrophobicContact CG1-SD 4.4Å; V654-N672 PolarHBondContact N-O 3.1Å; V654-S673 CarbonylContact O-C 3.57Å; V654-S673 VanDerWaalsContact O-CA 3.3Å; V654-S673 WeakPolarHBondContact O-CA 3.44Å; V654-T674 PolarHBondContact O-N 3.21Å |
| 655 | T | 83.6 | Confident | 71.8 | Confident | 63 Ų | 63 | 48.8 Ų | 48.8 | 39% | 0.387 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 109.2 | 176.1 | -51.4 | 0 | 0 | 0 | 0 | 110.1 | M639 T640 S641 T674 | M639-T655 PolarHBondContact O-N 3.07Å; T640-T655 CarbonylContact C-O 3.58Å; T640-T655 VanDerWaalsContact CA-O 3.29Å; T640-T655 WeakPolarHBondContact CA-O 3.46Å; T640-T655 HydrophobicContact CG2-CG2 4.42Å; S641-T655 PolarHBondContact N-O 3.19Å; T655-T674 CarbonylContact C-O 3.45Å; T655-T674 WeakPolarHBondContact CA-O 3.12Å |
| 656 | S | 86.2 | Confident | 69.8 | Low | 4 Ų | 4 | 56 Ų | 56 | 3% | 0.028 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 135 | 179 | -171.5 | 0 | 0 | 0 | 0 | 111 | S641 G643 T645 G658 T674 A675 S676 | S641-S656 PolarHBondContact OG-OG 2.69Å; G643-S656 PolarHBondContact O-OG 2.76Å; T645-S656 WeakPolarHBondContact OG1-CB 3.5Å; T645-S656 PolarHBondContact OG1-OG 3.47Å; S656-G658 PolarHBondContact OG-N 3.38Å; S656-G658 VanDerWaalsContact OG-N 3.15Å; S656-G658 PolarHBondContact OG-O 3.27Å; S656-T674 PolarHBondContact N-O 3.42Å; S656-A675 CarbonylContact O-C 3.24Å; S656-A675 VanDerWaalsContact O-CA 3.29Å; S656-A675 WeakPolarHBondContact O-CA 3.12Å; S656-S676 PolarHBondContact O-N 3.07Å; S656-S676 VanDerWaalsContact O-N 3.13Å |
| 657 | S | 80.9 | Confident | 67.9 | Low | 68 Ų | 68 | 59.6 Ų | 59.6 | 48% | 0.476 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -85.1 | -17.4 | 166.7 | -46.4 | 0 | 0 | 0 | 0 | 112 | S641 S642 S676 | S641-S657 PolarHBondContact O-N 2.92Å; S641-S657 PolarHBondContact O-OG 3.4Å; S642-S657 WeakPolarHBondContact O-CB 3.41Å; S657-S676 VanDerWaalsContact C-OG 3.32Å; S657-S676 VanDerWaalsContact CA-OG 3.3Å; S657-S676 WeakPolarHBondContact CA-OG 3.43Å; S657-S676 PolarHBondContact O-OG 2.02Å |
| 658 | G | 79.4 | Confident | 66.7 | Low | 16 Ų | 16 | 59.8 Ų | 59.8 | 17% | 0.165 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -97.5 | -160.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114 | G643 S656 G677 | G643-G658 PolarHBondContact O-N 3.38Å; S656-G658 PolarHBondContact OG-N 3.38Å; S656-G658 VanDerWaalsContact OG-N 3.15Å; S656-G658 PolarHBondContact OG-O 3.27Å; G658-G677 VanDerWaalsContact O-CA 3.23Å; G658-G677 WeakPolarHBondContact O-CA 3.4Å; G658-G677 PolarHBondContact O-N 3.33Å |
| 659 | T | 79.1 | Confident | 66.3 | Low | 42 Ų | 42 | 65.3 Ų | 65.3 | 26% | 0.258 | 36% | 0.355 | S | S | . | . | trans | -67.3 | 152.3 | 167.8 | 30.4 | 0 | 0 | 0 | 0 | 111.2 | Q644 T645 E678 | Q644-T659 CarbonylContact C-O 3.41Å; Q644-T659 VanDerWaalsContact CA-O 3.32Å; Q644-T659 WeakPolarHBondContact CA-O 3.45Å; Q644-T659 WeakPolarHBondContact CG-OG1 3.1Å; Q644-T659 PolarHBondContact OE1-OG1 3.06Å; T645-T659 PolarHBondContact N-O 3.22Å; T659-E678 WeakPolarHBondContact CA-O 3.06Å; T659-E678 HydrophobicContact CG2-CB 4.3Å | ||
| 660 | M | 78.4 | Confident | 66.2 | Low | 3 Ų | 3 | 63.5 Ų | 63.5 | 2% | 0.015 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 128.3 | 178.3 | -178.6 | 179.7 | -63.7 | 0 | 0 | 110.9 | T645 V654 A675 E678 M679 T680 | T645-M660 CarbonylContact O-C 3.05Å; T645-M660 VanDerWaalsContact O-CA 3.3Å; T645-M660 WeakPolarHBondContact O-CA 3.27Å; V654-M660 HydrophobicContact CB-CE 4.04Å; V654-M660 HydrophobicContact CG1-CE 3.46Å; V654-M660 VanDerWaalsContact CG1-CE 3.46Å; V654-M660 HydrophobicContact CG1-SD 4.4Å; M660-A675 HydrophobicContact CB-CB 4.35Å; M660-A675 HydrophobicContact CE-CB 4.4Å; M660-E678 PolarHBondContact N-O 3.25Å; M660-M679 HydrophobicContact CB-CE 4.47Å; M660-M679 HydrophobicContact CB-CG 4.1Å; M660-M679 HydrophobicContact CE-CE 4.32Å; M660-M679 HydrophobicContact CG-CG 4.28Å; M660-M679 CarbonylContact O-C 3.45Å; M660-M679 VanDerWaalsContact O-CA 3.27Å; M660-M679 WeakPolarHBondContact O-CA 2.97Å; M660-M679 HydrophobicContact SD-CE 3.65Å; M660-M679 HydrophobicContact SD-CG 4.3Å; M660-M679 HydrophobicContact SD-SD 4.08Å; M660-T680 PolarHBondContact O-N 3.32Å; M660-T680 PolarHBondContact O-OG1 2.73Å |
| 661 | S | 75.9 | Confident | 66.6 | Low | 44 Ų | 44 | 64.6 Ų | 64.6 | 31% | 0.308 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 153.8 | -179.8 | -164.7 | 0 | 0 | 0 | 0 | 112.8 | T645 V646 T647 T680 | T645-S661 PolarHBondContact O-N 2.93Å; V646-S661 WeakPolarHBondContact CA-O 3.49Å; T647-S661 PolarHBondContact N-O 3.35Å; S661-T680 WeakPolarHBondContact CA-O 3.44Å; S661-T680 WeakPolarHBondContact CA-OG1 3.04Å; S661-T680 WeakPolarHBondContact CB-OG1 3.38Å; S661-T680 PolarHBondContact OG-OG1 3Å |
| 662 | S | 65.3 | Low | 67.1 | Low | 9 Ų | 9 | 60.5 Ų | 60.5 | 6% | 0.063 | 33% | 0.333 | C | S | . | . | trans | -114.9 | 128.6 | 173.8 | 67.9 | 0 | 0 | 0 | 0 | 110.9 | T647 T668 T680 T681 S682 | T647-S662 VanDerWaalsContact O-CA 3.31Å; T647-S662 WeakPolarHBondContact O-CA 3.38Å; T647-S662 WeakPolarHBondContact O-CB 3.39Å; S662-T668 WeakPolarHBondContact CB-OG1 3.31Å; S662-T668 PolarHBondContact OG-OG1 2.81Å; S662-T680 PolarHBondContact N-O 3.1Å; S662-T681 WeakPolarHBondContact OG-CA 3.39Å; S662-S682 PolarHBondContact OG-N 3.21Å | ||
| 663 | Q | 56.1 | Low | 67.6 | Low | 123 Ų | 123 | 60.2 Ų | 60.2 | 58% | 0.575 | 33% | 0.329 | S | S | * | . | trans | -64.4 | 140.5 | 179.1 | -72.2 | -178.2 | -33.9 | 0 | 0 | 112.2 | V646 | V646-Q663 HydrophobicContact CG1-CG 3.78Š| ||
| 664 | E | 43.7 | Very low | 67.9 | Low | 177 Ų | 177 | 60.3 Ų | 60.3 | 83% | 0.827 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | 110 | -167.6 | -60.9 | -172.9 | 132.4 | 0 | 0 | 112.5 | ||
| 665 | S | 41.6 | Very low | 68 | Low | 123 Ų | 123 | 60.5 Ų | 60.5 | 86% | 0.86 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -177.9 | -21.3 | 160.1 | -88.4 | 0 | 0 | 0 | 0 | 113.7 | ||
| 666 | Q | 37.9 | Very low | 67.7 | Low | 152 Ų | 152 | 60 Ų | 60 | 71% | 0.71 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -136.4 | 162.9 | -175.7 | -59.4 | -176.1 | 16.5 | 0 | 0 | 110.4 | T668 | Q666-T668 PolarHBondContact O-N 3.34Š|
| 667 | T | 39.3 | Very low | 67.4 | Low | 104 Ų | 104 | 59.8 Ų | 59.8 | 64% | 0.638 | 33% | 0.332 | S | S | * | . | trans | -70.3 | 93.6 | 178.2 | 49.6 | 0 | 0 | 0 | 0 | 110.9 | R669 | T667-R669 PolarHBondContact O-N 3.29Š| ||
| 668 | T | 50.2 | Low | 67.2 | Low | 4 Ų | 4 | 60.7 Ų | 60.7 | 3% | 0.025 | 33% | 0.329 | C | S | . | . | trans | -67.9 | 110.1 | 179.4 | 62.5 | 0 | 0 | 0 | 0 | 110.4 | S648 S662 Q666 S682 R683 | S648-T668 VanDerWaalsContact O-CA 3.28Å; S648-T668 WeakPolarHBondContact O-CA 3.34Å; S648-T668 WeakPolarHBondContact O-CB 3.28Å; S648-T668 VanDerWaalsContact O-CG2 3.24Å; S648-T668 WeakPolarHBondContact O-CG2 3.38Å; S662-T668 WeakPolarHBondContact CB-OG1 3.31Å; S662-T668 PolarHBondContact OG-OG1 2.81Å; Q666-T668 PolarHBondContact O-N 3.34Å; T668-S682 PolarHBondContact N-OG 2.82Å; T668-S682 PolarHBondContact OG1-OG 2.03Å; T668-R683 VanDerWaalsContact O-O 3.07Å | ||
| 669 | R | 59.3 | Low | 67.2 | Low | 154 Ų | 154 | 60 Ų | 60 | 58% | 0.581 | 32% | 0.322 | S | S | * | . | trans | -80.2 | 117.4 | 173.9 | -75.9 | -168.8 | 161.7 | 155.3 | 4.4 | 109.1 | S649 S650 T667 E685 | S649-R669 CarbonylContact C-O 3.52Å; S649-R669 WeakPolarHBondContact CA-O 3.15Å; S650-R669 PolarHBondContact N-O 2.65Å; T667-R669 PolarHBondContact O-N 3.29Å; R669-E685 WeakPolarHBondContact CD-OE1 3.26Å; R669-E685 VanDerWaalsContact CD-OE2 3.27Å; R669-E685 WeakPolarHBondContact CD-OE2 2.98Å; R669-E685 HydrophobicContact CG-CG 4.49Å; R669-E685 WeakPolarHBondContact CG-OE1 3.47Å; R669-E685 IonicContact CZ-OE1 2.76Å; R669-E685 VanDerWaalsContact NE-CD 3.34Å; R669-E685 IonicContact NE-OE1 3.61Å; R669-E685 PolarHBondContact NE-OE1 3.28Å; R669-E685 IonicContact NE-OE2 3.77Å; R669-E685 PolarHBondContact NE-OE2 2.97Å; R669-E685 IonicContact NH2-OE1 3.96Å | ||
| 670 | I | 64.3 | Low | 67.2 | Low | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | B | Isolated β-bridge | trans | -124.5 | 125.7 | -180 | -48.7 | -178.9 | 0 | 0 | 0 | 109.3 | S673 T681 E685 G686 | I670-S673 WeakPolarHBondContact CG2-OG 3.5Å; I670-T681 HydrophobicContact CD1-CG2 3.64Å; I670-E685 PolarHBondContact O-N 2.93Å; I670-E685 VanDerWaalsContact O-N 3.16Å; I670-G686 PolarHBondContact O-N 3.02Å |
| 671 | S | 74.9 | Confident | 66.9 | Low | 30 Ų | 30 | 61.1 Ų | 61.1 | 21% | 0.21 | 33% | 0.329 | C | S | . | . | trans | -77.7 | -171.3 | 176.3 | -67.9 | 0 | 0 | 0 | 0 | 112 | S650 E651 G652 S673 | S650-S671 WeakPolarHBondContact O-CB 3.21Å; S650-S671 PolarHBondContact O-N 2.92Å; S650-S671 PolarHBondContact O-OG 3.25Å; S650-S671 PolarHBondContact OG-N 2.99Å; E651-S671 WeakPolarHBondContact CA-OG 3.37Å; E651-S671 PolarHBondContact O-OG 3.06Å; G652-S671 WeakPolarHBondContact O-CB 3.49Å; S671-S673 PolarHBondContact O-N 2.85Å; S671-S673 VanDerWaalsContact O-N 3.09Å; S671-S673 PolarHBondContact O-OG 2.67Å | ||
| 672 | N | 79.6 | Confident | 66.3 | Low | 76 Ų | 76 | 60.7 Ų | 60.7 | 41% | 0.406 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -56.6 | 122.8 | -172.6 | -54.8 | -57.5 | 0 | 0 | 0 | 110.9 | N653 V654 N687 | N653-N672 CarbonylContact C-O 3.55Å; N653-N672 VanDerWaalsContact CA-O 3.23Å; N653-N672 WeakPolarHBondContact CA-O 3.3Å; N653-N672 WeakPolarHBondContact OD1-CB 3.31Å; N653-N672 PolarHBondContact OD1-ND2 2.83Å; N653-N672 VanDerWaalsContact OD1-ND2 3.16Å; V654-N672 PolarHBondContact N-O 3.1Å; N672-N687 CarbonylContact C-O 3.54Å; N672-N687 VanDerWaalsContact CA-O 3.3Å; N672-N687 WeakPolarHBondContact CA-O 3.5Å; N672-N687 PolarHBondContact OD1-N 3.23Å |
| 673 | S | 82.4 | Confident | 66.4 | Low | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 131 | -168.5 | -66.8 | 0 | 0 | 0 | 0 | 111.6 | V654 I670 S671 N687 V688 T689 | V654-S673 CarbonylContact O-C 3.57Å; V654-S673 VanDerWaalsContact O-CA 3.3Å; V654-S673 WeakPolarHBondContact O-CA 3.44Å; I670-S673 WeakPolarHBondContact CG2-OG 3.5Å; S671-S673 PolarHBondContact O-N 2.85Å; S671-S673 VanDerWaalsContact O-N 3.09Å; S671-S673 PolarHBondContact O-OG 2.67Å; S673-N687 PolarHBondContact N-O 2.81Å; S673-V688 CarbonylContact O-C 3.54Å; S673-V688 WeakPolarHBondContact O-CA 3.05Å; S673-T689 PolarHBondContact O-N 2.82Å |
| 674 | T | 86.1 | Confident | 66.7 | Low | 71 Ų | 71 | 57.4 Ų | 57.4 | 44% | 0.436 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 120.9 | 177.4 | -56.8 | 0 | 0 | 0 | 0 | 109.6 | V654 T655 S656 T689 | V654-T674 PolarHBondContact O-N 3.21Å; T655-T674 CarbonylContact C-O 3.45Å; T655-T674 WeakPolarHBondContact CA-O 3.12Å; S656-T674 PolarHBondContact N-O 3.42Å; T674-T689 CarbonylContact C-O 3.54Å; T674-T689 VanDerWaalsContact CA-O 3.27Å; T674-T689 WeakPolarHBondContact CA-O 3.42Å |
| 675 | A | 83.2 | Confident | 68 | Low | 6 Ų | 6 | 52.7 Ų | 52.7 | 5% | 0.05 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 150.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S656 M660 M679 T689 S690 S691 | S656-A675 CarbonylContact O-C 3.24Å; S656-A675 VanDerWaalsContact O-CA 3.29Å; S656-A675 WeakPolarHBondContact O-CA 3.12Å; M660-A675 HydrophobicContact CB-CB 4.35Å; M660-A675 HydrophobicContact CE-CB 4.4Å; A675-M679 HydrophobicContact CB-CE 3.51Å; A675-T689 PolarHBondContact N-O 3.09Å; A675-S690 VanDerWaalsContact O-CA 3.32Å; A675-S690 WeakPolarHBondContact O-CA 3.3Å; A675-S691 PolarHBondContact O-N 3.3Å; A675-S691 VanDerWaalsContact O-N 3.15Å |
| 676 | S | 77.8 | Confident | 69.7 | Low | 51 Ų | 51 | 47.2 Ų | 47.2 | 36% | 0.357 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -105.5 | -0.7 | 163.4 | 50.3 | 0 | 0 | 0 | 0 | 115.5 | S656 S657 S691 R692 | S656-S676 PolarHBondContact O-N 3.07Å; S656-S676 VanDerWaalsContact O-N 3.13Å; S657-S676 VanDerWaalsContact C-OG 3.32Å; S657-S676 VanDerWaalsContact CA-OG 3.3Å; S657-S676 WeakPolarHBondContact CA-OG 3.43Å; S657-S676 PolarHBondContact O-OG 2.02Å; S676-S691 VanDerWaalsContact CA-OG 3.27Å; S676-S691 WeakPolarHBondContact CA-OG 3.29Å; S676-S691 WeakPolarHBondContact CB-OG 3.42Å; S676-S691 PolarHBondContact O-OG 3.49Å; S676-R692 PolarHBondContact O-NE 2.89Å |
| 677 | G | 79.9 | Confident | 71.7 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -101.8 | -178.2 | 163.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | G658 S690 | G658-G677 VanDerWaalsContact O-CA 3.23Å; G658-G677 WeakPolarHBondContact O-CA 3.4Å; G658-G677 PolarHBondContact O-N 3.33Å; G677-S690 PolarHBondContact O-OG 3.1Å |
| 678 | E | 77.9 | Confident | 73.7 | Confident | 87 Ų | 87 | 38.7 Ų | 38.7 | 41% | 0.407 | 20% | 0.203 | S | C | . | . | trans | -60.7 | 153 | 172.2 | -68.7 | 114.4 | -106.1 | 0 | 0 | 111.6 | T659 M660 R692 E693 | T659-E678 WeakPolarHBondContact CA-O 3.06Å; T659-E678 HydrophobicContact CG2-CB 4.3Å; M660-E678 PolarHBondContact N-O 3.25Å; E678-R692 HydrophobicContact CG-CB 4.01Å; E678-R692 WeakPolarHBondContact OE1-CD 3.4Å; E678-R692 IonicContact OE1-CZ 2.81Å; E678-R692 IonicContact OE1-NE 3.69Å; E678-R692 IonicContact OE1-NH1 3.63Å; E678-R692 PolarHBondContact OE1-NH1 3.23Å; E678-E693 WeakPolarHBondContact CA-O 3.43Å; E678-E693 HydrophobicContact CG-CB 4.07Å; E678-E693 HydrophobicContact CG-CG 4.43Å | ||
| 679 | M | 78 | Confident | 75.2 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 128.5 | -178.1 | -171.2 | -176 | -61.7 | 0 | 0 | 113.6 | M660 A675 T681 V688 E693 V694 T695 | M660-M679 HydrophobicContact CB-CE 4.47Å; M660-M679 HydrophobicContact CB-CG 4.1Å; M660-M679 HydrophobicContact CE-CE 4.32Å; M660-M679 HydrophobicContact CG-CG 4.28Å; M660-M679 CarbonylContact O-C 3.45Å; M660-M679 VanDerWaalsContact O-CA 3.27Å; M660-M679 WeakPolarHBondContact O-CA 2.97Å; M660-M679 HydrophobicContact SD-CE 3.65Å; M660-M679 HydrophobicContact SD-CG 4.3Å; M660-M679 HydrophobicContact SD-SD 4.08Å; A675-M679 HydrophobicContact CB-CE 3.51Å; M679-T681 HydrophobicContact CG-CG2 3.84Å; M679-T681 HydrophobicContact SD-CG2 3.88Å; M679-V688 HydrophobicContact CE-CG1 3.99Å; M679-V688 HydrophobicContact SD-CB 4.45Å; M679-V688 HydrophobicContact SD-CG1 3.38Å; M679-V688 WeakPolarHBondContact SD-CG1 3.41Å; M679-V688 HydrophobicContact SD-CG2 4.23Å; M679-E693 PolarHBondContact N-O 2.9Å; M679-V694 HydrophobicContact CB-CG2 4.37Å; M679-V694 WeakPolarHBondContact O-CA 3.28Å; M679-T695 PolarHBondContact O-N 2.04Å |
| 680 | T | 79.2 | Confident | 76.4 | Confident | 59 Ų | 59 | 34.2 Ų | 34.2 | 36% | 0.362 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 122.4 | 172.4 | 30.7 | 0 | 0 | 0 | 0 | 110.4 | M660 S661 S662 T695 | M660-T680 PolarHBondContact O-N 3.32Å; M660-T680 PolarHBondContact O-OG1 2.73Å; S661-T680 WeakPolarHBondContact CA-O 3.44Å; S661-T680 WeakPolarHBondContact CA-OG1 3.04Å; S661-T680 WeakPolarHBondContact CB-OG1 3.38Å; S661-T680 PolarHBondContact OG-OG1 3Å; S662-T680 PolarHBondContact N-O 3.1Å; T680-T695 WeakPolarHBondContact CA-O 3.38Å; T680-T695 HydrophobicContact CG2-CG2 4.48Å |
| 681 | T | 72.6 | Confident | 76.9 | Confident | 9 Ų | 9 | 36.6 Ų | 36.6 | 6% | 0.055 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 140.2 | -179.7 | 60.9 | 0 | 0 | 0 | 0 | 113.2 | S662 I670 M679 T695 T696 T697 | S662-T681 WeakPolarHBondContact OG-CA 3.39Å; I670-T681 HydrophobicContact CD1-CG2 3.64Å; M679-T681 HydrophobicContact CG-CG2 3.84Å; M679-T681 HydrophobicContact SD-CG2 3.88Å; T681-T695 PolarHBondContact N-O 3.13Å; T681-T696 VanDerWaalsContact O-CA 3.31Å; T681-T696 WeakPolarHBondContact O-CA 3.36Å; T681-T696 PolarHBondContact O-OG1 2.9Å; T681-T696 VanDerWaalsContact OG1-CB 3.3Å; T681-T696 WeakPolarHBondContact OG1-CB 3.12Å; T681-T696 PolarHBondContact OG1-OG1 2.88Å; T681-T697 PolarHBondContact O-N 3.23Å |
| 682 | S | 62.9 | Low | 77.3 | Confident | 35 Ų | 35 | 40.3 Ų | 40.3 | 25% | 0.245 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -83.7 | -23.8 | -179.1 | 82.5 | 0 | 0 | 0 | 0 | 115.2 | S662 T668 T697 | S662-S682 PolarHBondContact OG-N 3.21Å; T668-S682 PolarHBondContact N-OG 2.82Å; T668-S682 PolarHBondContact OG1-OG 2.03Å; S682-T697 VanDerWaalsContact O-O 3.08Å; S682-T697 PolarHBondContact O-OG1 3.46Å |
| 683 | R | 66.8 | Low | 77.1 | Confident | 61 Ų | 61 | 40.5 Ų | 40.5 | 23% | 0.23 | 22% | 0.218 | C | C | . | . | trans | -166.8 | 97.5 | 175 | -164.5 | -180 | -172.4 | 128.6 | 7 | 112.4 | T668 E685 Q700 E715 | T668-R683 VanDerWaalsContact O-O 3.07Å; R683-E685 PolarHBondContact O-N 2.87Å; R683-Q700 VanDerWaalsContact NE-OE1 3.08Å; R683-E715 IonicContact NH2-OE1 4Å | ||
| 684 | A | 64.2 | Low | 77 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.008 | 22% | 0.218 | C | C | . | . | B | Isolated β-bridge | trans | -73 | 118.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | V688 P699 Q700 | A684-V688 HydrophobicContact CB-CG2 3.67Å; A684-P699 HydrophobicContact CB-CB 3.85Å; A684-Q700 PolarHBondContact O-N 3.26Å |
| 685 | E | 71.1 | Confident | 76.7 | Confident | 78 Ų | 78 | 40 Ų | 40 | 36% | 0.364 | 22% | 0.215 | S | C | . | . | trans | -98.7 | -26.6 | 172.3 | -71.3 | -170.3 | 174.3 | 0 | 0 | 112.2 | R669 I670 R683 | R669-E685 WeakPolarHBondContact CD-OE1 3.26Å; R669-E685 VanDerWaalsContact CD-OE2 3.27Å; R669-E685 WeakPolarHBondContact CD-OE2 2.98Å; R669-E685 HydrophobicContact CG-CG 4.49Å; R669-E685 WeakPolarHBondContact CG-OE1 3.47Å; R669-E685 IonicContact CZ-OE1 2.76Å; R669-E685 VanDerWaalsContact NE-CD 3.34Å; R669-E685 IonicContact NE-OE1 3.61Å; R669-E685 PolarHBondContact NE-OE1 3.28Å; R669-E685 IonicContact NE-OE2 3.77Å; R669-E685 PolarHBondContact NE-OE2 2.97Å; R669-E685 IonicContact NH2-OE1 3.96Å; I670-E685 PolarHBondContact O-N 2.93Å; I670-E685 VanDerWaalsContact O-N 3.16Å; R683-E685 PolarHBondContact O-N 2.87Å | ||
| 686 | G | 75.6 | Confident | 76.3 | Confident | 8 Ų | 8 | 39.8 Ų | 39.8 | 8% | 0.082 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -102.6 | 163.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | I670 V688 A701 | I670-G686 PolarHBondContact O-N 3.02Å; G686-V688 PolarHBondContact O-N 3Å; G686-A701 WeakPolarHBondContact O-CB 3.35Å |
| 687 | N | 80.1 | Confident | 76 | Confident | 75 Ų | 75 | 40.5 Ų | 40.5 | 40% | 0.401 | 22% | 0.215 | S | C | . | . | trans | -64.9 | 129.7 | -177 | -83.3 | 13.2 | 0 | 0 | 0 | 111.2 | N672 S673 D702 | N672-N687 CarbonylContact C-O 3.54Å; N672-N687 VanDerWaalsContact CA-O 3.3Å; N672-N687 WeakPolarHBondContact CA-O 3.5Å; N672-N687 PolarHBondContact OD1-N 3.23Å; S673-N687 PolarHBondContact N-O 2.81Å; N687-D702 WeakPolarHBondContact CA-O 3.43Å; N687-D702 PolarHBondContact OD1-N 3.27Å | ||
| 688 | V | 81.4 | Confident | 75.4 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.012 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 134 | -178.7 | 165 | 0 | 0 | 0 | 0 | 110.2 | S673 M679 A684 G686 V694 D702 V703 T704 | S673-V688 CarbonylContact O-C 3.54Å; S673-V688 WeakPolarHBondContact O-CA 3.05Å; M679-V688 HydrophobicContact CE-CG1 3.99Å; M679-V688 HydrophobicContact SD-CB 4.45Å; M679-V688 HydrophobicContact SD-CG1 3.38Å; M679-V688 WeakPolarHBondContact SD-CG1 3.41Å; M679-V688 HydrophobicContact SD-CG2 4.23Å; A684-V688 HydrophobicContact CB-CG2 3.67Å; G686-V688 PolarHBondContact O-N 3Å; V688-V694 HydrophobicContact CG1-CG1 4.36Å; V688-D702 PolarHBondContact N-O 2.96Å; V688-V703 HydrophobicContact CB-CB 4.49Å; V688-V703 HydrophobicContact CB-CG1 4.13Å; V688-V703 HydrophobicContact CB-CG2 4.28Å; V688-V703 HydrophobicContact CG1-CG1 3.98Å; V688-V703 WeakPolarHBondContact O-CA 3.44Å; V688-T704 PolarHBondContact O-N 2.87Å |
| 689 | T | 83.1 | Confident | 75.2 | Confident | 62 Ų | 62 | 43.8 Ų | 43.8 | 38% | 0.38 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 125.5 | 171.4 | -58 | 0 | 0 | 0 | 0 | 109.9 | S673 T674 A675 T704 | S673-T689 PolarHBondContact O-N 2.82Å; T674-T689 CarbonylContact C-O 3.54Å; T674-T689 VanDerWaalsContact CA-O 3.27Å; T674-T689 WeakPolarHBondContact CA-O 3.42Å; A675-T689 PolarHBondContact N-O 3.09Å; T689-T704 CarbonylContact C-O 3.57Å; T689-T704 WeakPolarHBondContact CA-O 3.25Å |
| 690 | S | 82.7 | Confident | 74.9 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.014 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 149.3 | 168.3 | 177.4 | 0 | 0 | 0 | 0 | 111.7 | A675 G677 R692 V694 T704 S705 T706 | A675-S690 VanDerWaalsContact O-CA 3.32Å; A675-S690 WeakPolarHBondContact O-CA 3.3Å; G677-S690 PolarHBondContact O-OG 3.1Å; S690-R692 VanDerWaalsContact C-N 3.33Å; S690-R692 PolarHBondContact OG-N 3.38Å; S690-R692 PolarHBondContact OG-O 3.26Å; S690-V694 VanDerWaalsContact CB-CG2 3.48Å; S690-T704 PolarHBondContact N-O 2.9Å; S690-S705 WeakPolarHBondContact O-CA 3.13Å; S690-T706 PolarHBondContact O-N 3.02Å |
| 691 | S | 75.9 | Confident | 75 | Confident | 53 Ų | 53 | 43.8 Ų | 43.8 | 37% | 0.371 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -88.9 | 9.2 | 165.6 | 72.5 | 0 | 0 | 0 | 0 | 114.7 | A675 S676 T706 | A675-S691 PolarHBondContact O-N 3.3Å; A675-S691 VanDerWaalsContact O-N 3.15Å; S676-S691 VanDerWaalsContact CA-OG 3.27Å; S676-S691 WeakPolarHBondContact CA-OG 3.29Å; S676-S691 WeakPolarHBondContact CB-OG 3.42Å; S676-S691 PolarHBondContact O-OG 3.49Å; S691-T706 VanDerWaalsContact C-OG1 3.24Å; S691-T706 WeakPolarHBondContact CA-OG1 3.03Å; S691-T706 PolarHBondContact O-OG1 2.03Å |
| 692 | R | 83 | Confident | 75.2 | Confident | 108 Ų | 108 | 45.8 Ų | 45.8 | 41% | 0.408 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -137.6 | -164.2 | 172.2 | -57.5 | -165.8 | -160.4 | 173.2 | 4.1 | 111.9 | S676 E678 S690 S705 E707 | S676-R692 PolarHBondContact O-NE 2.89Å; E678-R692 HydrophobicContact CG-CB 4.01Å; E678-R692 WeakPolarHBondContact OE1-CD 3.4Å; E678-R692 IonicContact OE1-CZ 2.81Å; E678-R692 IonicContact OE1-NE 3.69Å; E678-R692 IonicContact OE1-NH1 3.63Å; E678-R692 PolarHBondContact OE1-NH1 3.23Å; S690-R692 VanDerWaalsContact C-N 3.33Å; S690-R692 PolarHBondContact OG-N 3.38Å; S690-R692 PolarHBondContact OG-O 3.26Å; R692-S705 PolarHBondContact O-OG 3.01Å; R692-E707 VanDerWaalsContact CA-OE2 3.28Å; R692-E707 WeakPolarHBondContact CA-OE2 3.48Å; R692-E707 WeakPolarHBondContact CB-OE2 3.47Å |
| 693 | E | 76 | Confident | 76.2 | Confident | 79 Ų | 79 | 44.1 Ų | 44.1 | 37% | 0.369 | 22% | 0.219 | S | C | . | . | trans | -58.1 | 141.6 | -178.5 | -48.4 | -152.5 | 156.7 | 0 | 0 | 113 | E678 M679 R708 | E678-E693 WeakPolarHBondContact CA-O 3.43Å; E678-E693 HydrophobicContact CG-CB 4.07Å; E678-E693 HydrophobicContact CG-CG 4.43Å; M679-E693 PolarHBondContact N-O 2.9Å; E693-R708 VanDerWaalsContact CA-O 3.27Å; E693-R708 WeakPolarHBondContact CA-O 3.24Å; E693-R708 HydrophobicContact CB-CB 4.05Å; E693-R708 HydrophobicContact CG-CB 3.55Å; E693-R708 WeakPolarHBondContact OE1-CB 3.39Å; E693-R708 VanDerWaalsContact OE1-CD 3.25Å; E693-R708 WeakPolarHBondContact OE1-CD 3.27Å; E693-R708 WeakPolarHBondContact OE2-CD 3.42Å | ||
| 694 | V | 79.7 | Confident | 76.9 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 123.2 | 176.1 | -179.2 | 0 | 0 | 0 | 0 | 110.7 | M679 V688 S690 T696 V703 R708 M709 T710 | M679-V694 HydrophobicContact CB-CG2 4.37Å; M679-V694 WeakPolarHBondContact O-CA 3.28Å; V688-V694 HydrophobicContact CG1-CG1 4.36Å; S690-V694 VanDerWaalsContact CB-CG2 3.48Å; V694-T696 HydrophobicContact CG1-CG2 4.23Å; V694-V703 HydrophobicContact CG1-CG1 3.92Å; V694-R708 PolarHBondContact N-O 3.14Å; V694-R708 VanDerWaalsContact N-O 3.07Å; V694-M709 HydrophobicContact CB-CG 4.32Å; V694-M709 WeakPolarHBondContact O-CA 3.03Å; V694-T710 PolarHBondContact O-N 2.83Å |
| 695 | T | 79.2 | Confident | 77.6 | Confident | 60 Ų | 60 | 43.4 Ų | 43.4 | 37% | 0.368 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 120.9 | 172.1 | -64.1 | 0 | 0 | 0 | 0 | 109.2 | M679 T680 T681 T710 | M679-T695 PolarHBondContact O-N 2.04Å; T680-T695 WeakPolarHBondContact CA-O 3.38Å; T680-T695 HydrophobicContact CG2-CG2 4.48Å; T681-T695 PolarHBondContact N-O 3.13Å; T695-T710 WeakPolarHBondContact CA-O 3Å |
| 696 | T | 74.6 | Confident | 77.8 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.012 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 140.1 | -176.8 | -173.6 | 0 | 0 | 0 | 0 | 114 | T681 V694 P699 V703 T710 T711 S712 M718 | T681-T696 VanDerWaalsContact O-CA 3.31Å; T681-T696 WeakPolarHBondContact O-CA 3.36Å; T681-T696 PolarHBondContact O-OG1 2.9Å; T681-T696 VanDerWaalsContact OG1-CB 3.3Å; T681-T696 WeakPolarHBondContact OG1-CB 3.12Å; T681-T696 PolarHBondContact OG1-OG1 2.88Å; V694-T696 HydrophobicContact CG1-CG2 4.23Å; T696-P699 HydrophobicContact CG2-CB 4.47Å; T696-P699 HydrophobicContact CG2-CG 3.95Å; T696-V703 HydrophobicContact CG2-CG1 4.41Å; T696-T710 PolarHBondContact N-O 3.29Å; T696-T711 HydrophobicContact CG2-CG2 4.04Å; T696-T711 WeakPolarHBondContact O-CA 3.47Å; T696-T711 WeakPolarHBondContact O-CB 3.46Å; T696-S712 PolarHBondContact O-N 3.06Å; T696-M718 HydrophobicContact CG2-CE 4.05Å |
| 697 | T | 72.1 | Confident | 77.8 | Confident | 65 Ų | 65 | 45.7 Ų | 45.7 | 40% | 0.399 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 138.5 | 178.2 | 57.8 | 0 | 0 | 0 | 0 | 111.2 | T681 S682 P699 S712 | T681-T697 PolarHBondContact O-N 3.23Å; S682-T697 VanDerWaalsContact O-O 3.08Å; S682-T697 PolarHBondContact O-OG1 3.46Å; T697-P699 WeakPolarHBondContact O-CD 3.43Å; T697-S712 WeakPolarHBondContact CG2-OG 3.3Å |
| 698 | R | 68.4 | Low | 77.3 | Confident | 156 Ų | 156 | 45.9 Ų | 45.9 | 59% | 0.589 | 23% | 0.229 | S | C | * | . | S | Bend | trans | 37.5 | 51.7 | -178.4 | -67.8 | -176.2 | 164.3 | -158.1 | -5.4 | 116.9 | S712 | R698-S712 WeakPolarHBondContact CA-O 3.33Å; R698-S712 PolarHBondContact N-O 2.7Å |
| 699 | P | 72.5 | Confident | 77 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | trans | -69.6 | 141.8 | 175.5 | 30.3 | -35.8 | 0 | 0 | 0 | 111.9 | A684 T696 T697 V703 P714 E715 M718 | A684-P699 HydrophobicContact CB-CB 3.85Å; T696-P699 HydrophobicContact CG2-CB 4.47Å; T696-P699 HydrophobicContact CG2-CG 3.95Å; T697-P699 WeakPolarHBondContact O-CD 3.43Å; P699-V703 HydrophobicContact CB-CG2 3.87Å; P699-V703 HydrophobicContact CG-CG2 4.07Å; P699-P714 HydrophobicContact CG-CB 4.1Å; P699-E715 PolarHBondContact O-N 3.32Å; P699-E715 VanDerWaalsContact O-N 3.11Å; P699-M718 HydrophobicContact CB-CE 4.48Å; P699-M718 HydrophobicContact CG-CE 3.27Å | ||
| 700 | Q | 72.9 | Confident | 76.6 | Confident | 57 Ų | 57 | 45.3 Ų | 45.3 | 27% | 0.266 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -109 | 5 | -176.6 | -49.7 | -166 | -84.1 | 0 | 0 | 112.6 | R683 A684 E715 R716 | R683-Q700 VanDerWaalsContact NE-OE1 3.08Å; A684-Q700 PolarHBondContact O-N 3.26Å; Q700-E715 WeakPolarHBondContact CG-OE2 3.33Å; Q700-E715 VanDerWaalsContact NE2-CD 3.28Å; Q700-E715 PolarHBondContact NE2-OE1 3.05Å; Q700-E715 PolarHBondContact NE2-OE2 3.3Å; Q700-R716 WeakPolarHBondContact O-CD 3.33Å; Q700-R716 WeakPolarHBondContact O-CG 3.31Å; Q700-R716 PolarHBondContact O-NE 3.46Å |
| 701 | A | 79.6 | Confident | 76 | Confident | 4 Ų | 4 | 45.7 Ų | 45.7 | 3% | 0.033 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -123.3 | 168.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | G686 R716 | G686-A701 WeakPolarHBondContact O-CB 3.35Å; A701-R716 WeakPolarHBondContact O-CB 3.37Å |
| 702 | D | 78.6 | Confident | 75.6 | Confident | 51 Ų | 51 | 45 Ų | 45 | 27% | 0.273 | 22% | 0.223 | S | C | . | . | trans | -75.6 | 134.1 | 177.2 | -64.5 | -37.2 | 0 | 0 | 0 | 110.3 | N687 V688 N717 | N687-D702 WeakPolarHBondContact CA-O 3.43Å; N687-D702 PolarHBondContact OD1-N 3.27Å; V688-D702 PolarHBondContact N-O 2.96Å; D702-N717 WeakPolarHBondContact CA-O 3.44Å; D702-N717 VanDerWaalsContact OD1-CB 3.29Å; D702-N717 WeakPolarHBondContact OD1-CB 3.43Å; D702-N717 PolarHBondContact OD1-N 3.32Å; D702-N717 PolarHBondContact OD1-ND2 2.9Å | ||
| 703 | V | 81.9 | Confident | 74.8 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 127.9 | -175.5 | -178.4 | 0 | 0 | 0 | 0 | 110 | V688 V694 T696 P699 M709 N717 M718 T719 | V688-V703 HydrophobicContact CB-CB 4.49Å; V688-V703 HydrophobicContact CB-CG1 4.13Å; V688-V703 HydrophobicContact CB-CG2 4.28Å; V688-V703 HydrophobicContact CG1-CG1 3.98Å; V688-V703 WeakPolarHBondContact O-CA 3.44Å; V694-V703 HydrophobicContact CG1-CG1 3.92Å; T696-V703 HydrophobicContact CG2-CG1 4.41Å; P699-V703 HydrophobicContact CB-CG2 3.87Å; P699-V703 HydrophobicContact CG-CG2 4.07Å; V703-M709 HydrophobicContact CG1-CE 3.96Å; V703-M709 HydrophobicContact CG1-SD 4.23Å; V703-N717 PolarHBondContact N-O 3Å; V703-M718 HydrophobicContact CB-CE 4.05Å; V703-M718 HydrophobicContact CB-SD 3.66Å; V703-M718 HydrophobicContact CG1-SD 4.13Å; V703-M718 HydrophobicContact CG2-CE 3.95Å; V703-M718 HydrophobicContact CG2-SD 4.22Å; V703-T719 PolarHBondContact O-N 3.47Å |
| 704 | T | 82.1 | Confident | 74.4 | Confident | 48 Ų | 48 | 37 Ų | 37 | 29% | 0.294 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 132.5 | -176.7 | -54.5 | 0 | 0 | 0 | 0 | 111.6 | V688 T689 S690 T719 | V688-T704 PolarHBondContact O-N 2.87Å; T689-T704 CarbonylContact C-O 3.57Å; T689-T704 WeakPolarHBondContact CA-O 3.25Å; S690-T704 PolarHBondContact N-O 2.9Å; T704-T719 CarbonylContact C-O 3.59Å; T704-T719 VanDerWaalsContact CA-O 3.31Å; T704-T719 WeakPolarHBondContact CA-O 3.27Å |
| 705 | S | 79.2 | Confident | 74 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 149.9 | 171.8 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | S690 R692 E707 R708 M709 T719 S720 S721 | S690-S705 WeakPolarHBondContact O-CA 3.13Å; R692-S705 PolarHBondContact O-OG 3.01Å; S705-E707 PolarHBondContact OG-N 3.06Å; S705-R708 PolarHBondContact OG-O 3.4Å; S705-M709 VanDerWaalsContact CB-CE 3.47Å; S705-T719 PolarHBondContact N-O 3.49Å; S705-S720 WeakPolarHBondContact O-CA 3.42Å; S705-S721 PolarHBondContact O-N 3.07Å |
| 706 | T | 75.5 | Confident | 74 | Confident | 59 Ų | 59 | 44.5 Ų | 44.5 | 36% | 0.362 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -96.4 | 5.8 | 166.8 | 63.8 | 0 | 0 | 0 | 0 | 114.3 | S690 S691 S721 | S690-T706 PolarHBondContact O-N 3.02Å; S691-T706 VanDerWaalsContact C-OG1 3.24Å; S691-T706 WeakPolarHBondContact CA-OG1 3.03Å; S691-T706 PolarHBondContact O-OG1 2.03Å; T706-S721 CarbonylContact C-O 3.58Å; T706-S721 VanDerWaalsContact CA-O 3.3Å; T706-S721 WeakPolarHBondContact CA-O 3.37Å |
| 707 | E | 75.3 | Confident | 74.1 | Confident | 75 Ų | 75 | 47.1 Ų | 47.1 | 35% | 0.35 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -134.7 | -132.3 | 177.1 | -61.2 | -167.9 | 141.1 | 0 | 0 | 110.7 | R692 S705 | R692-E707 VanDerWaalsContact CA-OE2 3.28Å; R692-E707 WeakPolarHBondContact CA-OE2 3.48Å; R692-E707 WeakPolarHBondContact CB-OE2 3.47Å; S705-E707 PolarHBondContact OG-N 3.06Å |
| 708 | R | 70.2 | Confident | 74.3 | Confident | 78 Ų | 78 | 44 Ų | 44 | 29% | 0.294 | 22% | 0.215 | S | C | . | . | trans | -78.5 | 157.5 | -175.4 | -154.4 | -172 | 172.1 | 86.3 | 8.6 | 112 | E693 V694 S705 S737 G739 | E693-R708 VanDerWaalsContact CA-O 3.27Å; E693-R708 WeakPolarHBondContact CA-O 3.24Å; E693-R708 HydrophobicContact CB-CB 4.05Å; E693-R708 HydrophobicContact CG-CB 3.55Å; E693-R708 WeakPolarHBondContact OE1-CB 3.39Å; E693-R708 VanDerWaalsContact OE1-CD 3.25Å; E693-R708 WeakPolarHBondContact OE1-CD 3.27Å; E693-R708 WeakPolarHBondContact OE2-CD 3.42Å; V694-R708 PolarHBondContact N-O 3.14Å; V694-R708 VanDerWaalsContact N-O 3.07Å; S705-R708 PolarHBondContact OG-O 3.4Å; R708-S737 PolarHBondContact NH1-O 2.93Å; R708-G739 WeakPolarHBondContact CG-O 3.34Å | ||
| 709 | M | 74.2 | Confident | 74.9 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 132 | 175.1 | -164.1 | -178.7 | -72.2 | 0 | 0 | 112.3 | V694 V703 S705 T711 M718 T719 M740 T741 | V694-M709 HydrophobicContact CB-CG 4.32Å; V694-M709 WeakPolarHBondContact O-CA 3.03Å; V703-M709 HydrophobicContact CG1-CE 3.96Å; V703-M709 HydrophobicContact CG1-SD 4.23Å; S705-M709 VanDerWaalsContact CB-CE 3.47Å; M709-T711 HydrophobicContact CG-CG2 3.71Å; M709-T711 HydrophobicContact SD-CG2 4.13Å; M709-M718 HydrophobicContact SD-CB 4.31Å; M709-M718 HydrophobicContact SD-CG 4.43Å; M709-M718 HydrophobicContact SD-SD 3.28Å; M709-T719 WeakPolarHBondContact CE-O 3.37Å; M709-M740 HydrophobicContact CB-CE 4Å; M709-M740 HydrophobicContact CB-CG 4.41Å; M709-M740 HydrophobicContact CE-CE 4.34Å; M709-M740 HydrophobicContact CG-CE 4.2Å; M709-M740 HydrophobicContact SD-CE 3.42Å; M709-M740 WeakPolarHBondContact SD-CE 3.35Å; M709-T741 PolarHBondContact O-N 3.19Å; M709-T741 PolarHBondContact O-OG1 3.07Å |
| 710 | T | 75.1 | Confident | 74.9 | Confident | 52 Ų | 52 | 39.5 Ų | 39.5 | 32% | 0.319 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 116.3 | -176.2 | -58.6 | 0 | 0 | 0 | 0 | 110.2 | V694 T695 T696 T741 | V694-T710 PolarHBondContact O-N 2.83Å; T695-T710 WeakPolarHBondContact CA-O 3Å; T696-T710 PolarHBondContact N-O 3.29Å; T710-T741 CarbonylContact C-O 3.5Å; T710-T741 WeakPolarHBondContact CA-O 3.19Å; T710-T741 PolarHBondContact OG1-OG1 3.27Å |
| 711 | T | 70.6 | Confident | 74.7 | Confident | 10 Ų | 10 | 39.4 Ų | 39.4 | 6% | 0.061 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 157.6 | -170.2 | 91.4 | 0 | 0 | 0 | 0 | 114.6 | T696 M709 M718 T741 T742 T743 | T696-T711 HydrophobicContact CG2-CG2 4.04Å; T696-T711 WeakPolarHBondContact O-CA 3.47Å; T696-T711 WeakPolarHBondContact O-CB 3.46Å; M709-T711 HydrophobicContact CG-CG2 3.71Å; M709-T711 HydrophobicContact SD-CG2 4.13Å; T711-M718 HydrophobicContact CG2-CE 3.56Å; T711-M718 HydrophobicContact CG2-SD 3.89Å; T711-T741 PolarHBondContact N-O 3.03Å; T711-T742 HydrophobicContact CG2-CG2 4.46Å; T711-T742 WeakPolarHBondContact O-CA 3.36Å; T711-T742 WeakPolarHBondContact OG1-CG2 3.4Å; T711-T743 PolarHBondContact O-N 2.78Å; T711-T743 VanDerWaalsContact O-N 3.14Å |
| 712 | S | 67.3 | Low | 73.5 | Confident | 38 Ų | 38 | 39.6 Ų | 39.6 | 27% | 0.266 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 136.7 | 169.3 | 64.5 | 0 | 0 | 0 | 0 | 111.5 | T696 T697 R698 P714 T743 | T696-S712 PolarHBondContact O-N 3.06Å; T697-S712 WeakPolarHBondContact CG2-OG 3.3Å; R698-S712 WeakPolarHBondContact CA-O 3.33Å; R698-S712 PolarHBondContact N-O 2.7Å; S712-P714 VanDerWaalsContact C-CD 3.45Å; S712-T743 WeakPolarHBondContact CA-OG1 3.46Å; S712-T743 VanDerWaalsContact CB-OG1 3.27Å; S712-T743 WeakPolarHBondContact CB-OG1 3.43Å |
| 713 | G | 66.7 | Low | 71.9 | Confident | 20 Ų | 20 | 40.7 Ų | 40.7 | 21% | 0.206 | 22% | 0.223 | C | C | . | . | S | Bend | trans | 53 | 45.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | E715 T743 | G713-E715 PolarHBondContact O-N 2.91Å; G713-T743 PolarHBondContact N-O 2.78Å |
| 714 | P | 66.7 | Low | 69.5 | Low | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | trans | -68.2 | 128.4 | 178 | 27.7 | -36.1 | 0 | 0 | 0 | 113.4 | P699 S712 M718 A745 E746 G747 | P699-P714 HydrophobicContact CG-CB 4.1Å; S712-P714 VanDerWaalsContact C-CD 3.45Å; P714-M718 HydrophobicContact CB-CE 3.55Å; P714-M718 HydrophobicContact CB-CG 4.01Å; P714-M718 HydrophobicContact CG-CE 4.23Å; P714-M718 HydrophobicContact CG-CG 4.13Å; P714-A745 HydrophobicContact CG-CB 3.6Å; P714-E746 PolarHBondContact O-N 2.97Å; P714-G747 PolarHBondContact O-N 3.18Å | ||
| 715 | E | 71.1 | Confident | 67.1 | Low | 78 Ų | 78 | 51.5 Ų | 51.5 | 36% | 0.364 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -85.3 | -15.7 | 177.2 | -61.1 | 175.5 | -162.5 | 0 | 0 | 112.3 | R683 P699 Q700 G713 | R683-E715 IonicContact NH2-OE1 4Å; P699-E715 PolarHBondContact O-N 3.32Å; P699-E715 VanDerWaalsContact O-N 3.11Å; Q700-E715 WeakPolarHBondContact CG-OE2 3.33Å; Q700-E715 VanDerWaalsContact NE2-CD 3.28Å; Q700-E715 PolarHBondContact NE2-OE1 3.05Å; Q700-E715 PolarHBondContact NE2-OE2 3.3Å; G713-E715 PolarHBondContact O-N 2.91Å |
| 716 | R | 79.7 | Confident | 64.5 | Low | 140 Ų | 140 | 54.6 Ų | 54.6 | 53% | 0.528 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -131.8 | -177.7 | -177.4 | -78.3 | -148.4 | -156.7 | -109.4 | -6.4 | 113.7 | Q700 A701 | Q700-R716 WeakPolarHBondContact O-CD 3.33Å; Q700-R716 WeakPolarHBondContact O-CG 3.31Å; Q700-R716 PolarHBondContact O-NE 3.46Å; A701-R716 WeakPolarHBondContact O-CB 3.37Å |
| 717 | N | 75.9 | Confident | 61.9 | Low | 57 Ų | 57 | 61.3 Ų | 61.3 | 31% | 0.305 | 35% | 0.349 | S | S | . | . | trans | -74.4 | 134.8 | -165.8 | -49.5 | -79.1 | 0 | 0 | 0 | 111.6 | D702 V703 N748 | D702-N717 WeakPolarHBondContact CA-O 3.44Å; D702-N717 VanDerWaalsContact OD1-CB 3.29Å; D702-N717 WeakPolarHBondContact OD1-CB 3.43Å; D702-N717 PolarHBondContact OD1-N 3.32Å; D702-N717 PolarHBondContact OD1-ND2 2.9Å; V703-N717 PolarHBondContact N-O 3Å; N717-N748 CarbonylContact C-O 3.6Å; N717-N748 VanDerWaalsContact CA-O 3.27Å; N717-N748 WeakPolarHBondContact CA-O 3.39Å; N717-N748 WeakPolarHBondContact OD1-CB 3.29Å; N717-N748 PolarHBondContact OD1-ND2 3.4Å | ||
| 718 | M | 77.2 | Confident | 59.4 | Low | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 127.2 | 176.6 | -74.7 | -71.3 | 179 | 0 | 0 | 109.3 | T696 P699 V703 M709 T711 P714 M740 N748 V749 S750 | T696-M718 HydrophobicContact CG2-CE 4.05Å; P699-M718 HydrophobicContact CB-CE 4.48Å; P699-M718 HydrophobicContact CG-CE 3.27Å; V703-M718 HydrophobicContact CB-CE 4.05Å; V703-M718 HydrophobicContact CB-SD 3.66Å; V703-M718 HydrophobicContact CG1-SD 4.13Å; V703-M718 HydrophobicContact CG2-CE 3.95Å; V703-M718 HydrophobicContact CG2-SD 4.22Å; M709-M718 HydrophobicContact SD-CB 4.31Å; M709-M718 HydrophobicContact SD-CG 4.43Å; M709-M718 HydrophobicContact SD-SD 3.28Å; T711-M718 HydrophobicContact CG2-CE 3.56Å; T711-M718 HydrophobicContact CG2-SD 3.89Å; P714-M718 HydrophobicContact CB-CE 3.55Å; P714-M718 HydrophobicContact CB-CG 4.01Å; P714-M718 HydrophobicContact CG-CE 4.23Å; P714-M718 HydrophobicContact CG-CG 4.13Å; M718-M740 HydrophobicContact CB-CE 3.84Å; M718-N748 PolarHBondContact N-O 3.04Å; M718-V749 HydrophobicContact CB-CB 4.39Å; M718-V749 HydrophobicContact CB-CG1 4.13Å; M718-V749 HydrophobicContact CB-CG2 4.26Å; M718-V749 HydrophobicContact CG-CG2 4.5Å; M718-S750 PolarHBondContact O-N 3.27Å |
| 719 | T | 80 | Confident | 57.1 | Low | 58 Ų | 58 | 67.7 Ų | 67.7 | 36% | 0.356 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 111.1 | 178.6 | -54.2 | 0 | 0 | 0 | 0 | 111.6 | V703 T704 S705 M709 S750 | V703-T719 PolarHBondContact O-N 3.47Å; T704-T719 CarbonylContact C-O 3.59Å; T704-T719 VanDerWaalsContact CA-O 3.31Å; T704-T719 WeakPolarHBondContact CA-O 3.27Å; S705-T719 PolarHBondContact N-O 3.49Å; M709-T719 WeakPolarHBondContact CE-O 3.37Å; T719-S750 CarbonylContact C-O 3.54Å; T719-S750 WeakPolarHBondContact CA-O 3.27Å |
| 720 | S | 74.2 | Confident | 54.7 | Low | 3 Ų | 3 | 71 Ų | 71 | 2% | 0.021 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 109.8 | 169.9 | 52.8 | 0 | 0 | 0 | 0 | 111.2 | S705 M740 S750 S751 S752 | S705-S720 WeakPolarHBondContact O-CA 3.42Å; S720-M740 VanDerWaalsContact OG-CE 3.31Å; S720-M740 WeakPolarHBondContact OG-CE 3.38Å; S720-M740 PolarHBondContact OG-SD 2.84Å; S720-S750 PolarHBondContact N-O 2.85Å; S720-S751 WeakPolarHBondContact O-CA 3.32Å; S720-S751 VanDerWaalsContact OG-CB 3.27Å; S720-S751 WeakPolarHBondContact OG-CB 3.29Å; S720-S751 PolarHBondContact OG-OG 3.46Å; S720-S752 PolarHBondContact O-N 2.92Å |
| 721 | S | 66.8 | Low | 52.1 | Low | 56 Ų | 56 | 72.9 Ų | 72.9 | 39% | 0.392 | 47% | 0.467 | S | S | . | . | trans | -99.8 | 76.6 | 173.7 | 66.6 | 0 | 0 | 0 | 0 | 110.3 | S705 T706 S752 | S705-S721 PolarHBondContact O-N 3.07Å; T706-S721 CarbonylContact C-O 3.58Å; T706-S721 VanDerWaalsContact CA-O 3.3Å; T706-S721 WeakPolarHBondContact CA-O 3.37Å; S721-S752 WeakPolarHBondContact CA-OG 2.98Å | ||
| 722 | G | 55.7 | Low | 49.8 | Very low | 8 Ų | 8 | 76.7 Ų | 76.7 | 8% | 0.082 | 50% | 0.499 | C | S | . | . | trans | -56 | 168 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q724 S752 | G722-Q724 PolarHBondContact O-N 2.76Å; G722-S752 PolarHBondContact N-OG 3.06Å | ||
| 723 | P | 45.1 | Very low | 47.7 | Very low | 74 Ų | 74 | 80.8 Ų | 80.8 | 48% | 0.481 | 53% | 0.528 | S | S | . | . | trans | -63.1 | 131.5 | -160.8 | 22.9 | -34.6 | 0 | 0 | 0 | 113.8 | G725 | P723-G725 PolarHBondContact O-N 2.85Š| ||
| 724 | Q | 31.2 | Very low | 45.7 | Very low | 200 Ų | 200 | 84.7 Ų | 84.7 | 94% | 0.935 | 55% | 0.549 | S | S | * | . | trans | -70.3 | 86.4 | 176.8 | -69.7 | -165.1 | -0.5 | 0 | 0 | 111.9 | G722 G726 | G722-Q724 PolarHBondContact O-N 2.76Å; Q724-G726 PolarHBondContact O-N 3.39Å; Q724-G726 VanDerWaalsContact O-N 3.1Å | ||
| 725 | G | 31.1 | Very low | 43.6 | Very low | 74 Ų | 74 | 91 Ų | 91 | 76% | 0.763 | 59% | 0.588 | S | S | * | * | trans | -58.4 | 109 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | P723 | P723-G725 PolarHBondContact O-N 2.85Š| ||
| 726 | G | 24.8 | Very low | 41.5 | Very low | 65 Ų | 65 | 91.5 Ų | 91.5 | 67% | 0.67 | 60% | 0.596 | S | S | * | * | trans | -63 | 138.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q724 T728 | Q724-G726 PolarHBondContact O-N 3.39Å; Q724-G726 VanDerWaalsContact O-N 3.1Å; G726-T728 PolarHBondContact O-N 2.95Å | ||
| 727 | Q | 22 | Very low | 39.4 | Very low | 201 Ų | 201 | 89.1 Ų | 89.1 | 94% | 0.939 | 60% | 0.601 | S | S | * | * | trans | -63.6 | 105.8 | -177 | -67.4 | -179.2 | -19.3 | 0 | 0 | 112.9 | ||||
| 728 | T | 22.7 | Very low | 37.6 | Very low | 133 Ų | 133 | 86.9 Ų | 86.9 | 82% | 0.816 | 59% | 0.591 | S | S | * | * | trans | -124.4 | 114.4 | 166.2 | 58.2 | 0 | 0 | 0 | 0 | 112 | G726 G730 | G726-T728 PolarHBondContact O-N 2.95Å; T728-G730 PolarHBondContact O-N 2.79Å | ||
| 729 | T | 21.9 | Very low | 36.4 | Very low | 154 Ų | 154 | 87.5 Ų | 87.5 | 95% | 0.945 | 60% | 0.598 | S | S | * | * | trans | -79 | 101.3 | 179.9 | 54.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 730 | G | 22 | Very low | 35.5 | Very low | 69 Ų | 69 | 84.8 Ų | 84.8 | 71% | 0.711 | 58% | 0.581 | S | S | * | * | trans | -166.2 | 123.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | T728 A732 | T728-G730 PolarHBondContact O-N 2.79Å; G730-A732 PolarHBondContact O-N 2.9Å | ||
| 731 | G | 21.1 | Very low | 35.2 | Very low | 93 Ų | 93 | 86.6 Ų | 86.6 | 96% | 0.959 | 59% | 0.592 | S | S | * | * | trans | -85.8 | 106.4 | -167 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 732 | A | 23.4 | Very low | 35 | Very low | 89 Ų | 89 | 84.1 Ų | 84.1 | 74% | 0.736 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -150.4 | 153 | 147.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | G730 P734 | G730-A732 PolarHBondContact O-N 2.9Å; A732-P734 WeakPolarHBondContact O-CD 3.39Å |
| 733 | S | 21.5 | Very low | 35.3 | Very low | 125 Ų | 125 | 86.9 Ų | 86.9 | 87% | 0.874 | 59% | 0.59 | S | S | * | * | trans | -68.3 | 121.2 | -174.5 | -153.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 734 | P | 24.8 | Very low | 36.1 | Very low | 101 Ų | 101 | 85.1 Ų | 85.1 | 66% | 0.656 | 59% | 0.585 | S | S | * | * | trans | -89.3 | 126.6 | 176.7 | 33.7 | -29.4 | 0 | 0 | 0 | 110.7 | A732 V736 | A732-P734 WeakPolarHBondContact O-CD 3.39Å; P734-V736 HydrophobicContact CB-CG2 4.25Å; P734-V736 HydrophobicContact CG-CG2 4.42Å; P734-V736 PolarHBondContact O-N 3.01Å | ||
| 735 | T | 23.5 | Very low | 37.4 | Very low | 133 Ų | 133 | 75.6 Ų | 75.6 | 82% | 0.816 | 54% | 0.541 | S | S | * | . | trans | -78.3 | 107.8 | 157.9 | 43.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 736 | V | 27.6 | Very low | 39 | Very low | 88 Ų | 88 | 79 Ų | 79 | 53% | 0.533 | 54% | 0.537 | S | S | . | . | trans | -92.6 | 99.2 | 178.6 | -179.3 | 0 | 0 | 0 | 0 | 108.5 | P734 G738 | P734-V736 HydrophobicContact CB-CG2 4.25Å; P734-V736 HydrophobicContact CG-CG2 4.42Å; P734-V736 PolarHBondContact O-N 3.01Å; V736-G738 PolarHBondContact O-N 2.9Å | ||
| 737 | S | 34.3 | Very low | 41.1 | Very low | 90 Ų | 90 | 76.3 Ų | 76.3 | 63% | 0.629 | 51% | 0.509 | S | S | * | . | trans | -73.7 | 17 | -167.1 | -52.3 | 0 | 0 | 0 | 0 | 116.6 | R708 G739 | R708-S737 PolarHBondContact NH1-O 2.93Å; S737-G739 PolarHBondContact O-N 2.93Å | ||
| 738 | G | 38.4 | Very low | 43.5 | Very low | 10 Ų | 10 | 69.7 Ų | 69.7 | 10% | 0.103 | 48% | 0.48 | C | S | . | . | trans | -93.3 | 65.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V736 T753 | V736-G738 PolarHBondContact O-N 2.9Å; G738-T753 WeakPolarHBondContact O-CB 3Å; G738-T753 PolarHBondContact O-OG1 2.89Å | ||
| 739 | G | 52.3 | Low | 45.9 | Very low | 13 Ų | 13 | 63.3 Ų | 63.3 | 13% | 0.134 | 44% | 0.441 | C | S | . | . | trans | -98.7 | 140.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | R708 S737 E754 | R708-G739 WeakPolarHBondContact CG-O 3.34Å; S737-G739 PolarHBondContact O-N 2.93Å; G739-E754 WeakPolarHBondContact CA-O 3.34Å | ||
| 740 | M | 61.7 | Low | 48.5 | Very low | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.005 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 133 | 171.9 | -176.2 | 177.7 | -123.1 | 0 | 0 | 111.1 | M709 M718 S720 T742 V749 E754 M755 T756 | M709-M740 HydrophobicContact CB-CE 4Å; M709-M740 HydrophobicContact CB-CG 4.41Å; M709-M740 HydrophobicContact CE-CE 4.34Å; M709-M740 HydrophobicContact CG-CE 4.2Å; M709-M740 HydrophobicContact SD-CE 3.42Å; M709-M740 WeakPolarHBondContact SD-CE 3.35Å; M718-M740 HydrophobicContact CB-CE 3.84Å; S720-M740 VanDerWaalsContact OG-CE 3.31Å; S720-M740 WeakPolarHBondContact OG-CE 3.38Å; S720-M740 PolarHBondContact OG-SD 2.84Å; M740-T742 HydrophobicContact CG-CG2 4.04Å; M740-T742 HydrophobicContact SD-CG2 4.41Å; M740-V749 HydrophobicContact CE-CG1 4.02Å; M740-V749 HydrophobicContact SD-CG1 3.32Å; M740-V749 WeakPolarHBondContact SD-CG1 3.5Å; M740-E754 PolarHBondContact N-O 2.93Å; M740-M755 HydrophobicContact CB-CB 4.43Å; M740-M755 HydrophobicContact CB-CG 4.16Å; M740-M755 HydrophobicContact CG-CG 4.35Å; M740-M755 CarbonylContact O-C 3.56Å; M740-M755 WeakPolarHBondContact O-CA 3.45Å; M740-M755 HydrophobicContact SD-CE 3.88Å; M740-M755 HydrophobicContact SD-CG 4.44Å; M740-T756 PolarHBondContact O-N 3.46Å; M740-T756 PolarHBondContact O-OG1 2.9Å |
| 741 | T | 66.9 | Low | 50.8 | Low | 42 Ų | 42 | 55.1 Ų | 55.1 | 26% | 0.258 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 112.4 | -177.8 | 12.9 | 0 | 0 | 0 | 0 | 109.9 | M709 T710 T711 T756 | M709-T741 PolarHBondContact O-N 3.19Å; M709-T741 PolarHBondContact O-OG1 3.07Å; T710-T741 CarbonylContact C-O 3.5Å; T710-T741 WeakPolarHBondContact CA-O 3.19Å; T710-T741 PolarHBondContact OG1-OG1 3.27Å; T711-T741 PolarHBondContact N-O 3.03Å; T741-T756 WeakPolarHBondContact CA-O 3.49Å; T741-T756 WeakPolarHBondContact CG2-OG1 3.43Å |
| 742 | T | 62.7 | Low | 52.9 | Low | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.018 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 137.5 | 177.4 | 73.5 | 0 | 0 | 0 | 0 | 113.5 | T711 M740 V749 T756 T757 S758 | T711-T742 HydrophobicContact CG2-CG2 4.46Å; T711-T742 WeakPolarHBondContact O-CA 3.36Å; T711-T742 WeakPolarHBondContact OG1-CG2 3.4Å; M740-T742 HydrophobicContact CG-CG2 4.04Å; M740-T742 HydrophobicContact SD-CG2 4.41Å; T742-V749 HydrophobicContact CG2-CG1 3.94Å; T742-T756 PolarHBondContact N-O 3.05Å; T742-T756 VanDerWaalsContact N-O 3.15Å; T742-T757 WeakPolarHBondContact O-CA 3.5Å; T742-T757 VanDerWaalsContact O-CB 3.31Å; T742-T757 WeakPolarHBondContact O-CB 3.04Å; T742-T757 VanDerWaalsContact OG1-CG2 3.24Å; T742-T757 WeakPolarHBondContact OG1-CG2 3.37Å; T742-S758 PolarHBondContact O-N 2.89Å |
| 743 | T | 62.8 | Low | 54.9 | Low | 66 Ų | 66 | 48.9 Ų | 48.9 | 41% | 0.405 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 142.4 | 171.7 | 60.2 | 0 | 0 | 0 | 0 | 110.2 | T711 S712 G713 A745 S758 | T711-T743 PolarHBondContact O-N 2.78Å; T711-T743 VanDerWaalsContact O-N 3.14Å; S712-T743 WeakPolarHBondContact CA-OG1 3.46Å; S712-T743 VanDerWaalsContact CB-OG1 3.27Å; S712-T743 WeakPolarHBondContact CB-OG1 3.43Å; G713-T743 PolarHBondContact N-O 2.78Å; T743-A745 VanDerWaalsContact C-N 3.35Å; T743-A745 PolarHBondContact O-N 2.97Å; T743-S758 WeakPolarHBondContact CG2-OG 3.46Å |
| 744 | G | 60.7 | Low | 56.7 | Low | 37 Ų | 37 | 47.3 Ų | 47.3 | 38% | 0.381 | 29% | 0.293 | S | S | . | . | S | Bend | trans | 64 | 25.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 117 | E746 S758 G759 | G744-E746 PolarHBondContact O-N 2.67Å; G744-S758 PolarHBondContact N-O 2.88Å; G744-G759 WeakPolarHBondContact CA-O 3.39Å |
| 745 | A | 59.3 | Low | 58.3 | Low | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | trans | -69.6 | 126 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | P714 T743 V749 S760 G761 G762 | P714-A745 HydrophobicContact CG-CB 3.6Å; T743-A745 VanDerWaalsContact C-N 3.35Å; T743-A745 PolarHBondContact O-N 2.97Å; A745-V749 HydrophobicContact CB-CG2 3.59Å; A745-S760 CarbonylContact O-C 3.6Å; A745-S760 WeakPolarHBondContact O-CA 3.04Å; A745-G761 WeakPolarHBondContact O-CA 3.34Å; A745-G761 PolarHBondContact O-N 3.18Å; A745-G762 PolarHBondContact O-N 2.64Å | ||
| 746 | E | 64 | Low | 60 | Low | 146 Ų | 146 | 39.1 Ų | 39.1 | 68% | 0.682 | 24% | 0.242 | S | C | * | . | trans | -95.9 | -37 | 173.4 | -61.3 | -170.9 | 171.6 | 0 | 0 | 112.3 | P714 G744 G762 | P714-E746 PolarHBondContact O-N 2.97Å; G744-E746 PolarHBondContact O-N 2.67Å; E746-G762 WeakPolarHBondContact O-CA 3.44Å; E746-G762 PolarHBondContact O-N 2.87Å | ||
| 747 | G | 69.2 | Low | 61.2 | Low | 7 Ų | 7 | 35.6 Ų | 35.6 | 7% | 0.072 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -74 | 166.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | P714 V749 | P714-G747 PolarHBondContact O-N 3.18Å; G747-V749 PolarHBondContact O-N 2.03Å |
| 748 | N | 72.6 | Confident | 62.1 | Low | 62 Ų | 62 | 34.5 Ų | 34.5 | 33% | 0.332 | 21% | 0.213 | S | C | . | . | trans | -72.2 | 132 | 177.7 | -53 | -73.9 | 0 | 0 | 0 | 110.7 | N717 M718 N763 | N717-N748 CarbonylContact C-O 3.6Å; N717-N748 VanDerWaalsContact CA-O 3.27Å; N717-N748 WeakPolarHBondContact CA-O 3.39Å; N717-N748 WeakPolarHBondContact OD1-CB 3.29Å; N717-N748 PolarHBondContact OD1-ND2 3.4Å; M718-N748 PolarHBondContact N-O 3.04Å; N748-N763 CarbonylContact C-O 3.47Å; N748-N763 WeakPolarHBondContact CA-O 3.23Å; N748-N763 WeakPolarHBondContact OD1-CB 3.33Å; N748-N763 PolarHBondContact OD1-ND2 2.89Å | ||
| 749 | V | 72.9 | Confident | 62.6 | Low | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 116.7 | -178.3 | -176.3 | 0 | 0 | 0 | 0 | 109.2 | M718 M740 T742 A745 G747 M755 N763 M764 T765 | M718-V749 HydrophobicContact CB-CB 4.39Å; M718-V749 HydrophobicContact CB-CG1 4.13Å; M718-V749 HydrophobicContact CB-CG2 4.26Å; M718-V749 HydrophobicContact CG-CG2 4.5Å; M740-V749 HydrophobicContact CE-CG1 4.02Å; M740-V749 HydrophobicContact SD-CG1 3.32Å; M740-V749 WeakPolarHBondContact SD-CG1 3.5Å; T742-V749 HydrophobicContact CG2-CG1 3.94Å; A745-V749 HydrophobicContact CB-CG2 3.59Å; G747-V749 PolarHBondContact O-N 2.03Å; V749-M755 HydrophobicContact CG1-CE 3.79Å; V749-M755 HydrophobicContact CG1-SD 3.88Å; V749-N763 PolarHBondContact N-O 2.65Å; V749-M764 HydrophobicContact CB-CG 4.46Å; V749-M764 CarbonylContact O-C 3.55Å; V749-M764 WeakPolarHBondContact O-CA 3.36Å; V749-T765 PolarHBondContact O-N 3.24Å |
| 750 | S | 75.9 | Confident | 62.5 | Low | 44 Ų | 44 | 36.6 Ų | 36.6 | 31% | 0.308 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 121.8 | -174.7 | -61.5 | 0 | 0 | 0 | 0 | 111.4 | M718 T719 S720 T765 | M718-S750 PolarHBondContact O-N 3.27Å; T719-S750 CarbonylContact C-O 3.54Å; T719-S750 WeakPolarHBondContact CA-O 3.27Å; S720-S750 PolarHBondContact N-O 2.85Å; S750-T765 CarbonylContact C-O 3.57Å; S750-T765 WeakPolarHBondContact CA-O 3.42Å |
| 751 | S | 70.3 | Confident | 62 | Low | 7 Ų | 7 | 38.1 Ų | 38.1 | 5% | 0.049 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 142.4 | 174.9 | -172.7 | 0 | 0 | 0 | 0 | 112.2 | S720 T753 T765 S766 T767 | S720-S751 WeakPolarHBondContact O-CA 3.32Å; S720-S751 VanDerWaalsContact OG-CB 3.27Å; S720-S751 WeakPolarHBondContact OG-CB 3.29Å; S720-S751 PolarHBondContact OG-OG 3.46Å; S751-T753 VanDerWaalsContact C-N 3.26Å; S751-T753 WeakPolarHBondContact CB-O 3.27Å; S751-T753 PolarHBondContact OG-N 2.84Å; S751-T753 PolarHBondContact OG-O 2.04Å; S751-T753 PolarHBondContact OG-OG1 2.79Å; S751-T765 PolarHBondContact N-O 3.49Å; S751-S766 CarbonylContact O-C 3.52Å; S751-S766 WeakPolarHBondContact O-CA 3.13Å; S751-T767 PolarHBondContact O-N 2.98Å; S751-T767 PolarHBondContact O-OG1 3.07Å |
| 752 | S | 67.1 | Low | 61.7 | Low | 41 Ų | 41 | 36.4 Ų | 36.4 | 29% | 0.287 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -83.4 | -0.2 | 166.7 | 71.2 | 0 | 0 | 0 | 0 | 113.9 | S720 S721 G722 | S720-S752 PolarHBondContact O-N 2.92Å; S721-S752 WeakPolarHBondContact CA-OG 2.98Å; G722-S752 PolarHBondContact N-OG 3.06Å |
| 753 | T | 64.9 | Low | 61.8 | Low | 10 Ų | 10 | 39 Ų | 39 | 6% | 0.061 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -138.5 | -179.2 | -177.3 | 52.2 | 0 | 0 | 0 | 0 | 111.6 | G738 S751 S766 E768 | G738-T753 WeakPolarHBondContact O-CB 3Å; G738-T753 PolarHBondContact O-OG1 2.89Å; S751-T753 VanDerWaalsContact C-N 3.26Å; S751-T753 WeakPolarHBondContact CB-O 3.27Å; S751-T753 PolarHBondContact OG-N 2.84Å; S751-T753 PolarHBondContact OG-O 2.04Å; S751-T753 PolarHBondContact OG-OG1 2.79Å; T753-S766 PolarHBondContact O-OG 3.38Å; T753-E768 VanDerWaalsContact CA-OE2 3.28Å; T753-E768 WeakPolarHBondContact CA-OE2 3.35Å |
| 754 | E | 58.2 | Low | 62 | Low | 91 Ų | 91 | 36.2 Ų | 36.2 | 43% | 0.425 | 24% | 0.236 | S | C | . | . | trans | -50.8 | 143.9 | -175.8 | -59.5 | -169.3 | 166.9 | 0 | 0 | 113.7 | G739 M740 E768 Q769 | G739-E754 WeakPolarHBondContact CA-O 3.34Å; M740-E754 PolarHBondContact N-O 2.93Å; E754-E768 HydrophobicContact CG-CB 4.26Å; E754-Q769 WeakPolarHBondContact CA-O 3.37Å; E754-Q769 HydrophobicContact CG-CB 4.09Å | ||
| 755 | M | 58.9 | Low | 62.6 | Low | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 136.3 | -177 | -171.9 | -167.3 | -62.5 | 0 | 0 | 111.7 | M740 V749 T757 M764 T765 Q769 M770 S771 | M740-M755 HydrophobicContact CB-CB 4.43Å; M740-M755 HydrophobicContact CB-CG 4.16Å; M740-M755 HydrophobicContact CG-CG 4.35Å; M740-M755 CarbonylContact O-C 3.56Å; M740-M755 WeakPolarHBondContact O-CA 3.45Å; M740-M755 HydrophobicContact SD-CE 3.88Å; M740-M755 HydrophobicContact SD-CG 4.44Å; V749-M755 HydrophobicContact CG1-CE 3.79Å; V749-M755 HydrophobicContact CG1-SD 3.88Å; M755-T757 HydrophobicContact CG-CG2 3.78Å; M755-T757 HydrophobicContact SD-CG2 3.95Å; M755-M764 HydrophobicContact SD-CB 4.11Å; M755-M764 HydrophobicContact SD-CG 4.43Å; M755-M764 HydrophobicContact SD-SD 4.33Å; M755-T765 WeakPolarHBondContact CE-O 3.26Å; M755-Q769 PolarHBondContact N-O 2.93Å; M755-M770 HydrophobicContact CB-CG 3.97Å; M755-M770 WeakPolarHBondContact O-CA 3.47Å; M755-M770 HydrophobicContact SD-SD 4.24Å; M755-S771 PolarHBondContact O-N 2.83Å |
| 756 | T | 58.7 | Low | 62.8 | Low | 61 Ų | 61 | 37 Ų | 37 | 37% | 0.374 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 123.3 | -179.8 | 44.6 | 0 | 0 | 0 | 0 | 110.2 | M740 T741 T742 | M740-T756 PolarHBondContact O-N 3.46Å; M740-T756 PolarHBondContact O-OG1 2.9Å; T741-T756 WeakPolarHBondContact CA-O 3.49Å; T741-T756 WeakPolarHBondContact CG2-OG1 3.43Å; T742-T756 PolarHBondContact N-O 3.05Å; T742-T756 VanDerWaalsContact N-O 3.15Å |
| 757 | T | 53.8 | Low | 62.8 | Low | 14 Ų | 14 | 33.6 Ų | 33.6 | 9% | 0.086 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 162.4 | -171.7 | 72.3 | 0 | 0 | 0 | 0 | 115.1 | T742 M755 M764 S771 | T742-T757 WeakPolarHBondContact O-CA 3.5Å; T742-T757 VanDerWaalsContact O-CB 3.31Å; T742-T757 WeakPolarHBondContact O-CB 3.04Å; T742-T757 VanDerWaalsContact OG1-CG2 3.24Å; T742-T757 WeakPolarHBondContact OG1-CG2 3.37Å; M755-T757 HydrophobicContact CG-CG2 3.78Å; M755-T757 HydrophobicContact SD-CG2 3.95Å; T757-M764 HydrophobicContact CG2-SD 3.5Å; T757-M764 VanDerWaalsContact CG2-SD 3.5Å; T757-M764 WeakPolarHBondContact OG1-CE 3.37Å; T757-M764 PolarHBondContact OG1-SD 3.23Å; T757-S771 PolarHBondContact N-O 3.14Å |
| 758 | S | 52.1 | Low | 62.4 | Low | 67 Ų | 67 | 37 Ų | 37 | 47% | 0.469 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 125.5 | 169.1 | 58.5 | 0 | 0 | 0 | 0 | 111.4 | T742 T743 G744 | T742-S758 PolarHBondContact O-N 2.89Å; T743-S758 WeakPolarHBondContact CG2-OG 3.46Å; G744-S758 PolarHBondContact N-O 2.88Å |
| 759 | G | 50.4 | Low | 61.4 | Low | 58 Ų | 58 | 36.7 Ų | 36.7 | 60% | 0.598 | 23% | 0.233 | S | C | * | . | S | Bend | trans | 68.6 | 49.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | G744 | G744-G759 WeakPolarHBondContact CA-O 3.39Š|
| 760 | S | 48.9 | Very low | 60.5 | Low | 9 Ų | 9 | 37 Ų | 37 | 6% | 0.063 | 24% | 0.235 | C | C | . | . | trans | -88.3 | 127.4 | -179.1 | 57.4 | 0 | 0 | 0 | 0 | 114.2 | A745 M764 S803 | A745-S760 CarbonylContact O-C 3.6Å; A745-S760 WeakPolarHBondContact O-CA 3.04Å; S760-M764 WeakPolarHBondContact OG-CE 3.35Å; S760-M764 PolarHBondContact OG-SD 3.23Å; S760-S803 WeakPolarHBondContact O-CB 3.19Å; S760-S803 PolarHBondContact O-OG 3.06Å | ||
| 761 | G | 52.1 | Low | 59.2 | Low | 32 Ų | 32 | 37 Ų | 37 | 33% | 0.33 | 24% | 0.235 | S | C | . | . | trans | -82.2 | -31.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | A745 G805 | A745-G761 WeakPolarHBondContact O-CA 3.34Å; A745-G761 PolarHBondContact O-N 3.18Å; G761-G805 WeakPolarHBondContact O-CA 3.39Å; G761-G805 PolarHBondContact O-N 3.08Å | ||
| 762 | G | 59.6 | Low | 57.8 | Low | 7 Ų | 7 | 40 Ų | 40 | 7% | 0.072 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -80.1 | 166.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | A745 E746 M764 | A745-G762 PolarHBondContact O-N 2.64Å; E746-G762 WeakPolarHBondContact O-CA 3.44Å; E746-G762 PolarHBondContact O-N 2.87Å; G762-M764 PolarHBondContact O-N 2.78Å |
| 763 | N | 65 | Low | 56.4 | Low | 58 Ų | 58 | 41.4 Ų | 41.4 | 31% | 0.31 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 129.4 | 176.1 | -58 | -70.7 | 0 | 0 | 0 | 110.7 | N748 V749 N806 | N748-N763 CarbonylContact C-O 3.47Å; N748-N763 WeakPolarHBondContact CA-O 3.23Å; N748-N763 WeakPolarHBondContact OD1-CB 3.33Å; N748-N763 PolarHBondContact OD1-ND2 2.89Å; V749-N763 PolarHBondContact N-O 2.65Å; N763-N806 CarbonylContact C-O 3.51Å; N763-N806 VanDerWaalsContact CA-O 3.32Å; N763-N806 WeakPolarHBondContact CA-O 3.4Å; N763-N806 WeakPolarHBondContact OD1-CB 3.24Å; N763-N806 PolarHBondContact OD1-N 3.44Å; N763-N806 VanDerWaalsContact OD1-N 3.08Å; N763-N806 PolarHBondContact OD1-ND2 3.09Å |
| 764 | M | 67.3 | Low | 54.6 | Low | 6 Ų | 6 | 46.6 Ų | 46.6 | 3% | 0.03 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 127.7 | 173.7 | -60.6 | -169.6 | -64 | 0 | 0 | 110 | V749 M755 T757 S760 G762 M770 N806 V807 T808 | V749-M764 HydrophobicContact CB-CG 4.46Å; V749-M764 CarbonylContact O-C 3.55Å; V749-M764 WeakPolarHBondContact O-CA 3.36Å; M755-M764 HydrophobicContact SD-CB 4.11Å; M755-M764 HydrophobicContact SD-CG 4.43Å; M755-M764 HydrophobicContact SD-SD 4.33Å; T757-M764 HydrophobicContact CG2-SD 3.5Å; T757-M764 VanDerWaalsContact CG2-SD 3.5Å; T757-M764 WeakPolarHBondContact OG1-CE 3.37Å; T757-M764 PolarHBondContact OG1-SD 3.23Å; S760-M764 WeakPolarHBondContact OG-CE 3.35Å; S760-M764 PolarHBondContact OG-SD 3.23Å; G762-M764 PolarHBondContact O-N 2.78Å; M764-M770 HydrophobicContact CB-SD 4.4Å; M764-N806 PolarHBondContact N-O 2.92Å; M764-V807 HydrophobicContact CE-CB 4.38Å; M764-V807 HydrophobicContact CE-CG1 4.01Å; M764-V807 HydrophobicContact CE-CG2 3.53Å; M764-T808 PolarHBondContact O-N 2.83Å |
| 765 | T | 72.8 | Confident | 53 | Low | 55 Ų | 55 | 48.2 Ų | 48.2 | 34% | 0.337 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 113.5 | 177.5 | -54 | 0 | 0 | 0 | 0 | 109.3 | V749 S750 S751 M755 T808 | V749-T765 PolarHBondContact O-N 3.24Å; S750-T765 CarbonylContact C-O 3.57Å; S750-T765 WeakPolarHBondContact CA-O 3.42Å; S751-T765 PolarHBondContact N-O 3.49Å; M755-T765 WeakPolarHBondContact CE-O 3.26Å; T765-T808 WeakPolarHBondContact CA-O 3.06Å |
| 766 | S | 63.7 | Low | 51.3 | Low | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 142.7 | 168 | 179.8 | 0 | 0 | 0 | 0 | 110.7 | S751 T753 E768 T808 S809 T810 | S751-S766 CarbonylContact O-C 3.52Å; S751-S766 WeakPolarHBondContact O-CA 3.13Å; T753-S766 PolarHBondContact O-OG 3.38Å; S766-E768 VanDerWaalsContact C-N 3.34Å; S766-E768 PolarHBondContact OG-N 3.03Å; S766-E768 PolarHBondContact OG-O 2.94Å; S766-T808 PolarHBondContact N-O 3.4Å; S766-S809 WeakPolarHBondContact O-CA 3.13Å; S766-T810 PolarHBondContact O-N 2.85Å; S766-T810 VanDerWaalsContact O-N 3.15Å |
| 767 | T | 64.2 | Low | 49.4 | Very low | 74 Ų | 74 | 60.4 Ų | 60.4 | 45% | 0.454 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -75.5 | -27.8 | 168.3 | -52.9 | 0 | 0 | 0 | 0 | 111.5 | S751 T810 S811 | S751-T767 PolarHBondContact O-N 2.98Å; S751-T767 PolarHBondContact O-OG1 3.07Å; T767-T810 VanDerWaalsContact CA-OG1 3.25Å; T767-T810 WeakPolarHBondContact CA-OG1 3.36Å; T767-T810 PolarHBondContact O-OG1 2.84Å; T767-S811 PolarHBondContact O-N 3.49Å |
| 768 | E | 60.1 | Low | 48 | Very low | 79 Ų | 79 | 66.1 Ų | 66.1 | 37% | 0.369 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -112.7 | -148.9 | -176.3 | -62.3 | -168.9 | 142.7 | 0 | 0 | 112 | T753 E754 S766 S811 | T753-E768 VanDerWaalsContact CA-OE2 3.28Å; T753-E768 WeakPolarHBondContact CA-OE2 3.35Å; E754-E768 HydrophobicContact CG-CB 4.26Å; S766-E768 VanDerWaalsContact C-N 3.34Å; S766-E768 PolarHBondContact OG-N 3.03Å; S766-E768 PolarHBondContact OG-O 2.94Å; E768-S811 PolarHBondContact O-OG 3.13Å |
| 769 | Q | 53.5 | Low | 46.6 | Very low | 56 Ų | 56 | 68.9 Ų | 68.9 | 26% | 0.262 | 46% | 0.457 | S | S | . | . | trans | -73.8 | 157.9 | -172 | -63.1 | -160.4 | -9.7 | 0 | 0 | 113.5 | E754 M755 E813 | E754-Q769 WeakPolarHBondContact CA-O 3.37Å; E754-Q769 HydrophobicContact CG-CB 4.09Å; M755-Q769 PolarHBondContact N-O 2.93Å; Q769-E813 HydrophobicContact CG-CB 4.2Å; Q769-E813 PolarHBondContact NE2-OE2 2.9Å | ||
| 770 | M | 53.5 | Low | 45.3 | Very low | 7 Ų | 7 | 69.6 Ų | 69.6 | 3% | 0.034 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 140.5 | 167.7 | -85.8 | -170.5 | -79.5 | 0 | 0 | 112.8 | M755 M764 V807 T808 | M755-M770 HydrophobicContact CB-CG 3.97Å; M755-M770 WeakPolarHBondContact O-CA 3.47Å; M755-M770 HydrophobicContact SD-SD 4.24Å; M764-M770 HydrophobicContact CB-SD 4.4Å; M770-V807 HydrophobicContact CE-CG1 3.5Å; M770-V807 HydrophobicContact SD-CG1 3.71Å; M770-T808 VanDerWaalsContact CE-C 3.41Å; M770-T808 WeakPolarHBondContact CE-O 3.37Å |
| 771 | S | 49.3 | Very low | 44.1 | Very low | 44 Ų | 44 | 74.5 Ų | 74.5 | 31% | 0.308 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 142.4 | 175 | -77 | 0 | 0 | 0 | 0 | 112.5 | M755 T757 | M755-S771 PolarHBondContact O-N 2.83Å; T757-S771 PolarHBondContact N-O 3.14Å |
| 772 | T | 40.3 | Very low | 42.7 | Very low | 69 Ų | 69 | 82.6 Ų | 82.6 | 42% | 0.423 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 127.3 | -179.1 | 51.9 | 0 | 0 | 0 | 0 | 110.5 | ||
| 773 | G | 37 | Very low | 40.9 | Very low | 70 Ų | 70 | 85.8 Ų | 85.8 | 72% | 0.722 | 56% | 0.56 | S | S | * | * | trans | -79.2 | 157.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 774 | S | 26.4 | Very low | 39 | Very low | 120 Ų | 120 | 88.7 Ų | 88.7 | 84% | 0.839 | 59% | 0.585 | S | S | * | * | trans | -146.8 | 123 | 168.6 | -72.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 775 | S | 25.2 | Very low | 36.9 | Very low | 124 Ų | 124 | 97.5 Ų | 97.5 | 87% | 0.867 | 63% | 0.626 | S | S | * | * | trans | -106.8 | 112.4 | -168.1 | -56.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 776 | Q | 23 | Very low | 34.5 | Very low | 203 Ų | 203 | 99.9 Ų | 99.9 | 95% | 0.949 | 65% | 0.645 | S | S | * | * | trans | -134.2 | 142.5 | 151.2 | -78.9 | -161.8 | -29.7 | 0 | 0 | 109.1 | ||||
| 777 | S | 20.3 | Very low | 32.4 | Very low | 117 Ų | 117 | 105 Ų | 105 | 82% | 0.818 | 68% | 0.677 | S | S | * | * | trans | -107.4 | 127.9 | -159.6 | 41.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 778 | S | 23 | Very low | 30.4 | Very low | 133 Ų | 133 | 105.8 Ų | 105.8 | 93% | 0.93 | 70% | 0.699 | S | S | * | * | trans | -178.2 | 160.9 | 147.1 | 26.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 779 | S | 22.9 | Very low | 28.6 | Very low | 125 Ų | 125 | 106.1 Ų | 106.1 | 87% | 0.874 | 72% | 0.724 | S | S | * | * | trans | -115.9 | 153.3 | -164.7 | 51.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 780 | G | 22.5 | Very low | 27.3 | Very low | 73 Ų | 73 | 107 Ų | 107 | 75% | 0.753 | 74% | 0.741 | S | S | * | * | trans | 173.6 | 91.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 781 | S | 24.9 | Very low | 26 | Very low | 113 Ų | 113 | 114.1 Ų | 114.1 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | trans | 13.6 | 136.7 | 149.3 | 60.9 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 782 | E | 22.1 | Very low | 25.2 | Very low | 202 Ų | 202 | 117 Ų | 117 | 94% | 0.944 | 79% | 0.786 | S | S | * | * | trans | 21.5 | 133 | 142.2 | -55.4 | -167.7 | 137.1 | 0 | 0 | 122.6 | ||||
| 783 | G | 22.5 | Very low | 24.2 | Very low | 73 Ų | 73 | 120.6 Ų | 120.6 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | trans | -178.6 | 167 | 165.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 784 | S | 24.7 | Very low | 23.5 | Very low | 119 Ų | 119 | 121.7 Ų | 121.7 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | trans | -144 | 137.2 | -178.4 | -84.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 785 | Q | 22.7 | Very low | 23.3 | Very low | 192 Ų | 192 | 121.9 Ų | 121.9 | 90% | 0.897 | 81% | 0.811 | S | S | * | * | trans | 69.5 | 127.7 | 156.9 | -64.7 | -176.7 | -3.1 | 0 | 0 | 121.6 | ||||
| 786 | S | 22.6 | Very low | 23.2 | Very low | 104 Ų | 104 | 119.7 Ų | 119.7 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | 91 | 100.1 | 141.6 | -146.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 787 | T | 20.1 | Very low | 23.1 | Very low | 109 Ų | 109 | 113.8 Ų | 113.8 | 67% | 0.669 | 80% | 0.795 | S | S | * | * | trans | 55.4 | 106.1 | 131.8 | 61.6 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 788 | G | 22.3 | Very low | 23.1 | Very low | 89 Ų | 89 | 115.4 Ų | 115.4 | 92% | 0.918 | 79% | 0.791 | S | S | * | * | 120.5 | 112.3 | 122.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 789 | G | 22.7 | Very low | 23.1 | Very low | 87 Ų | 87 | 114.8 Ų | 114.8 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | trans | 148.8 | 138.3 | 163.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 790 | A | 25.1 | Very low | 23.4 | Very low | 74 Ų | 74 | 114.1 Ų | 114.1 | 61% | 0.612 | 77% | 0.773 | S | S | * | * | trans | -122.5 | 161.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 791 | Y | 26.4 | Very low | 23.5 | Very low | 156 Ų | 156 | 117 Ų | 117 | 61% | 0.612 | 78% | 0.776 | S | S | * | * | -163.3 | 178.3 | 56.4 | -100.4 | -63.5 | 0 | 0 | 0 | 111.1 | P830 | Y791-P830 HydrophobicContact CD1-CB 4.44Å; Y791-P830 HydrophobicContact CD2-CB 3.68Å; Y791-P830 HydrophobicContact CD2-CG 4.25Å; Y791-P830 HydrophobicContact CE1-CB 4.11Å; Y791-P830 HydrophobicContact CE1-CG 4.43Å; Y791-P830 HydrophobicContact CE2-CB 3.3Å; Y791-P830 HydrophobicContact CE2-CG 3.39Å; Y791-P830 HydrophobicContact CG-CB 4.24Å; Y791-P830 VanDerWaalsContact CZ-CG 3.47Å; Y791-P830 WeakPolarHBondContact OH-CG 3.36Å | |||
| 792 | P | 32.4 | Very low | 23.8 | Very low | 104 Ų | 104 | 115.2 Ų | 115.2 | 68% | 0.675 | 78% | 0.775 | S | S | * | * | -134.5 | -173.2 | -129.8 | 44.7 | -25.9 | 0 | 0 | 0 | 115.7 | |||||
| 793 | T | 19.8 | Very low | 24.5 | Very low | 146 Ų | 146 | 108 Ų | 108 | 90% | 0.896 | 75% | 0.747 | S | S | * | * | trans | -137.6 | 145.4 | 145.1 | -41.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 794 | A | 22.4 | Very low | 25.7 | Very low | 92 Ų | 92 | 112.8 Ų | 112.8 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | trans | -148 | 126.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 795 | S | 22.1 | Very low | 27 | Very low | 124 Ų | 124 | 107.6 Ų | 107.6 | 87% | 0.867 | 72% | 0.715 | S | S | * | * | trans | -171 | 76.2 | 163.6 | 55.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 796 | G | 21.9 | Very low | 28.6 | Very low | 79 Ų | 79 | 101.4 Ų | 101.4 | 81% | 0.814 | 69% | 0.688 | S | S | * | * | trans | -102.3 | 122.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 797 | A | 21.2 | Very low | 30.3 | Very low | 79 Ų | 79 | 97.7 Ų | 97.7 | 65% | 0.653 | 66% | 0.661 | S | S | * | * | trans | -146.5 | 143.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 798 | M | 21.8 | Very low | 32.4 | Very low | 150 Ų | 150 | 94.4 Ų | 94.4 | 74% | 0.739 | 64% | 0.641 | S | S | * | * | trans | -70.3 | 143.9 | -177 | -60.6 | 171.7 | -175.8 | 0 | 0 | 111.6 | T816 | M798-T816 HydrophobicContact CE-CG2 3.98Š| ||
| 799 | T | 21.9 | Very low | 34.1 | Very low | 121 Ų | 121 | 90.3 Ų | 90.3 | 74% | 0.742 | 60% | 0.598 | S | S | * | * | trans | -130.6 | 88.1 | 169.2 | 45.2 | 0 | 0 | 0 | 0 | 110.2 | T801 | T799-T801 PolarHBondContact O-N 2.61Å; T799-T801 VanDerWaalsContact O-N 3.16Å | ||
| 800 | T | 29 | Very low | 35.7 | Very low | 110 Ų | 110 | 90 Ų | 90 | 68% | 0.675 | 58% | 0.579 | S | S | * | * | trans | -78.9 | 88.7 | 170 | 40.7 | 0 | 0 | 0 | 0 | 109.9 | G802 | T800-G802 PolarHBondContact O-N 2.86Š| ||
| 801 | T | 25.8 | Very low | 37.1 | Very low | 135 Ų | 135 | 88.8 Ų | 88.8 | 83% | 0.828 | 57% | 0.566 | S | S | * | * | trans | -80.2 | 94.3 | 178.4 | 47.4 | 0 | 0 | 0 | 0 | 111.7 | T799 | T799-T801 PolarHBondContact O-N 2.61Å; T799-T801 VanDerWaalsContact O-N 3.16Å | ||
| 802 | G | 30.8 | Very low | 38 | Very low | 74 Ų | 74 | 81.7 Ų | 81.7 | 76% | 0.763 | 54% | 0.541 | S | S | * | . | S | Bend | trans | 92.9 | 72.4 | 157.7 | 0 | 0 | 0 | 0 | 0 | 117 | T800 | T800-G802 PolarHBondContact O-N 2.86Š|
| 803 | S | 36.3 | Very low | 38.4 | Very low | 51 Ų | 51 | 82.1 Ų | 82.1 | 36% | 0.357 | 53% | 0.533 | S | S | . | . | trans | -157.2 | 158 | 154.4 | 74.7 | 0 | 0 | 0 | 0 | 110.9 | S760 | S760-S803 WeakPolarHBondContact O-CB 3.19Å; S760-S803 PolarHBondContact O-OG 3.06Å | ||
| 804 | E | 47.5 | Very low | 39.4 | Very low | 173 Ų | 173 | 79.6 Ų | 79.6 | 81% | 0.808 | 51% | 0.513 | S | S | * | . | trans | -110.4 | -14 | -163.8 | -59.2 | -163.7 | 148.4 | 0 | 0 | 116.2 | ||||
| 805 | G | 51.2 | Low | 40.2 | Very low | 11 Ų | 11 | 78.5 Ų | 78.5 | 11% | 0.113 | 50% | 0.499 | C | S | . | . | trans | -70.8 | 152.8 | -168.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | G761 G843 | G761-G805 WeakPolarHBondContact O-CA 3.39Å; G761-G805 PolarHBondContact O-N 3.08Å; G805-G843 VanDerWaalsContact O-CA 3.31Å; G805-G843 WeakPolarHBondContact O-CA 3.4Å | ||
| 806 | N | 56.9 | Low | 40.5 | Very low | 62 Ų | 62 | 77.7 Ų | 77.7 | 33% | 0.332 | 49% | 0.49 | S | S | . | . | trans | -81.7 | 150.4 | 171.2 | -61 | -59.7 | 0 | 0 | 0 | 111.6 | N763 M764 N844 | N763-N806 CarbonylContact C-O 3.51Å; N763-N806 VanDerWaalsContact CA-O 3.32Å; N763-N806 WeakPolarHBondContact CA-O 3.4Å; N763-N806 WeakPolarHBondContact OD1-CB 3.24Å; N763-N806 PolarHBondContact OD1-N 3.44Å; N763-N806 VanDerWaalsContact OD1-N 3.08Å; N763-N806 PolarHBondContact OD1-ND2 3.09Å; M764-N806 PolarHBondContact N-O 2.92Å; N806-N844 WeakPolarHBondContact OD1-CB 3.39Å; N806-N844 PolarHBondContact OD1-N 3.03Å | ||
| 807 | V | 58.9 | Low | 40.7 | Very low | 25 Ų | 25 | 79.9 Ų | 79.9 | 15% | 0.152 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 112.6 | -178.1 | -176.8 | 0 | 0 | 0 | 0 | 109 | M764 M770 N844 V845 T846 | M764-V807 HydrophobicContact CE-CB 4.38Å; M764-V807 HydrophobicContact CE-CG1 4.01Å; M764-V807 HydrophobicContact CE-CG2 3.53Å; M770-V807 HydrophobicContact CE-CG1 3.5Å; M770-V807 HydrophobicContact SD-CG1 3.71Å; V807-N844 PolarHBondContact N-O 2.91Å; V807-N844 VanDerWaalsContact N-O 3.11Å; V807-V845 HydrophobicContact CB-CG2 4.34Å; V807-V845 CarbonylContact O-C 3.56Å; V807-V845 WeakPolarHBondContact O-CA 3.45Å; V807-T846 PolarHBondContact O-N 3.46Å |
| 808 | T | 64.5 | Low | 40.8 | Very low | 41 Ų | 41 | 82.1 Ų | 82.1 | 25% | 0.252 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 118.4 | -172.4 | -53.3 | 0 | 0 | 0 | 0 | 111.1 | M764 T765 S766 M770 T846 | M764-T808 PolarHBondContact O-N 2.83Å; T765-T808 WeakPolarHBondContact CA-O 3.06Å; S766-T808 PolarHBondContact N-O 3.4Å; M770-T808 VanDerWaalsContact CE-C 3.41Å; M770-T808 WeakPolarHBondContact CE-O 3.37Å; T808-T846 WeakPolarHBondContact CA-O 3.38Å |
| 809 | S | 56.5 | Low | 41 | Very low | 3 Ų | 3 | 80.9 Ų | 80.9 | 2% | 0.021 | 51% | 0.509 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 126.7 | 170.2 | 57.1 | 0 | 0 | 0 | 0 | 111 | S766 T846 S848 | S766-S809 WeakPolarHBondContact O-CA 3.13Å; S809-T846 PolarHBondContact N-O 2.8Å; S809-S848 PolarHBondContact O-OG 2.85Å |
| 810 | T | 57.9 | Low | 41 | Very low | 80 Ų | 80 | 84.7 Ų | 84.7 | 49% | 0.491 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -82.2 | -17.4 | 175.4 | 59 | 0 | 0 | 0 | 0 | 113.8 | S766 T767 S848 | S766-T810 PolarHBondContact O-N 2.85Å; S766-T810 VanDerWaalsContact O-N 3.15Å; T767-T810 VanDerWaalsContact CA-OG1 3.25Å; T767-T810 WeakPolarHBondContact CA-OG1 3.36Å; T767-T810 PolarHBondContact O-OG1 2.84Å; T810-S848 VanDerWaalsContact C-OG 3.3Å; T810-S848 WeakPolarHBondContact CA-OG 3.32Å; T810-S848 PolarHBondContact O-OG 3.21Å |
| 811 | S | 53.2 | Low | 40.7 | Very low | 49 Ų | 49 | 83.3 Ų | 83.3 | 34% | 0.343 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -73 | -39.7 | 174.6 | 63.4 | 0 | 0 | 0 | 0 | 113.3 | T767 E768 | T767-S811 PolarHBondContact O-N 3.49Å; E768-S811 PolarHBondContact O-OG 3.13Å |
| 812 | G | 46.5 | Very low | 40.5 | Very low | 7 Ų | 7 | 84.1 Ų | 84.1 | 7% | 0.072 | 53% | 0.526 | C | S | . | . | trans | 89.6 | 3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | S847 | G812-S847 WeakPolarHBondContact CA-OG 3.31Å; G812-S847 PolarHBondContact O-OG 3.27Å | ||
| 813 | E | 41 | Very low | 40 | Very low | 112 Ų | 112 | 88 Ų | 88 | 52% | 0.523 | 52% | 0.524 | S | S | . | . | trans | -101 | 138.8 | 179.4 | -65.8 | -178.6 | 134.6 | 0 | 0 | 112.5 | Q769 | Q769-E813 HydrophobicContact CG-CB 4.2Å; Q769-E813 PolarHBondContact NE2-OE2 2.9Å | ||
| 814 | M | 39.9 | Very low | 39.3 | Very low | 93 Ų | 93 | 91.2 Ų | 91.2 | 46% | 0.458 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 133.3 | 179.5 | -179.3 | -178 | -73.6 | 0 | 0 | 109.4 | V845 | M814-V845 HydrophobicContact CE-CG1 3.98Å |
| 815 | S | 39.2 | Very low | 38.1 | Very low | 69 Ų | 69 | 89 Ų | 89 | 48% | 0.483 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 146.6 | -169.6 | -70.1 | 0 | 0 | 0 | 0 | 113.8 | ||
| 816 | T | 28.4 | Very low | 36.6 | Very low | 108 Ų | 108 | 93.6 Ų | 93.6 | 66% | 0.663 | 58% | 0.577 | S | S | * | * | trans | -143.6 | 150.8 | 170.9 | 54.8 | 0 | 0 | 0 | 0 | 110.3 | M798 | M798-T816 HydrophobicContact CE-CG2 3.98Š| ||
| 817 | S | 25.7 | Very low | 35 | Very low | 124 Ų | 124 | 93.8 Ų | 93.8 | 87% | 0.867 | 59% | 0.593 | S | S | * | * | trans | -124.2 | 141.9 | -167.8 | 54 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 818 | S | 23.8 | Very low | 33.1 | Very low | 126 Ų | 126 | 101.7 Ų | 101.7 | 88% | 0.881 | 63% | 0.629 | S | S | * | * | trans | -152.1 | 149.6 | 170 | 59.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 819 | S | 25.6 | Very low | 31.2 | Very low | 125 Ų | 125 | 109.5 Ų | 109.5 | 87% | 0.874 | 66% | 0.655 | S | S | * | * | trans | -136.8 | 159.9 | -170.9 | 49.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 820 | Q | 22.9 | Very low | 30 | Very low | 200 Ų | 200 | 112 Ų | 112 | 94% | 0.935 | 67% | 0.671 | S | S | * | * | trans | -110.2 | 145.2 | -166.4 | -65.6 | 179.1 | -22.3 | 0 | 0 | 113.8 | ||||
| 821 | G | 21.7 | Very low | 28.3 | Very low | 81 Ų | 81 | 114.4 Ų | 114.4 | 84% | 0.835 | 69% | 0.686 | S | S | * | * | trans | -91.9 | 172 | 162 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 822 | N | 21.7 | Very low | 27 | Very low | 153 Ų | 153 | 116 Ų | 116 | 82% | 0.818 | 70% | 0.702 | S | S | * | * | trans | -127.7 | 166 | -165.3 | -166.4 | 19.4 | 0 | 0 | 0 | 114.3 | ||||
| 823 | E | 21.3 | Very low | 25.8 | Very low | 154 Ų | 154 | 121.6 Ų | 121.6 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | trans | 86.1 | 131.8 | 160.5 | -63.2 | -135 | 134.3 | 0 | 0 | 122.5 | ||||
| 824 | T | 21.8 | Very low | 25 | Very low | 120 Ų | 120 | 120 Ų | 120 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | trans | 83.6 | 96.3 | 148.6 | 53 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 825 | T | 21.5 | Very low | 24.1 | Very low | 127 Ų | 127 | 125.4 Ų | 125.4 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | 81.3 | 89.1 | 120.7 | -45.2 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 826 | A | 20.7 | Very low | 23.2 | Very low | 106 Ų | 106 | 129 Ų | 129 | 88% | 0.876 | 79% | 0.789 | S | S | * | * | trans | 64.4 | 141.7 | 149.4 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 827 | G | 21.8 | Very low | 22.9 | Very low | 66 Ų | 66 | 129.7 Ų | 129.7 | 68% | 0.68 | 80% | 0.798 | S | S | * | * | cis | 148.2 | 77 | -9.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 828 | E | 20.6 | Very low | 22.8 | Very low | 192 Ų | 192 | 130.1 Ų | 130.1 | 90% | 0.897 | 80% | 0.795 | S | S | * | * | trans | -161.7 | 90.5 | 157.8 | -118.5 | 170.8 | -165.8 | 0 | 0 | 112.8 | ||||
| 829 | Y | 23.8 | Very low | 22.7 | Very low | 204 Ų | 204 | 129.9 Ų | 129.9 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | trans | 31.8 | 153.2 | 141.1 | -76.4 | -85.2 | 0 | 0 | 0 | 123.8 | ||||
| 830 | P | 31.3 | Very low | 22.7 | Very low | 57 Ų | 57 | 128 Ų | 128 | 37% | 0.37 | 79% | 0.794 | S | S | . | * | -146.4 | -137.4 | -116.8 | 45.2 | -22 | 0 | 0 | 0 | 114.5 | Y791 | Y791-P830 HydrophobicContact CD1-CB 4.44Å; Y791-P830 HydrophobicContact CD2-CB 3.68Å; Y791-P830 HydrophobicContact CD2-CG 4.25Å; Y791-P830 HydrophobicContact CE1-CB 4.11Å; Y791-P830 HydrophobicContact CE1-CG 4.43Å; Y791-P830 HydrophobicContact CE2-CB 3.3Å; Y791-P830 HydrophobicContact CE2-CG 3.39Å; Y791-P830 HydrophobicContact CG-CB 4.24Å; Y791-P830 VanDerWaalsContact CZ-CG 3.47Å; Y791-P830 WeakPolarHBondContact OH-CG 3.36Å | |||
| 831 | T | 22.3 | Very low | 23.1 | Very low | 129 Ų | 129 | 122.4 Ų | 122.4 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | 91.3 | 146.5 | 170 | 68 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 832 | A | 24.9 | Very low | 23.8 | Very low | 82 Ų | 82 | 127.3 Ų | 127.3 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | cis | -168.2 | 159.8 | -25.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 833 | S | 21.8 | Very low | 24.7 | Very low | 126 Ų | 126 | 121.7 Ų | 121.7 | 88% | 0.881 | 76% | 0.756 | S | S | * | * | trans | 52.8 | 124.7 | 153.3 | 57.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 834 | G | 24.1 | Very low | 25.6 | Very low | 78 Ų | 78 | 119 Ų | 119 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | trans | -156.1 | 144.5 | 159.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 835 | E | 21.7 | Very low | 26.8 | Very low | 207 Ų | 207 | 117.3 Ų | 117.3 | 97% | 0.967 | 74% | 0.736 | S | S | * | * | trans | -105.9 | 174.1 | -163 | -70.1 | -175.7 | 121.5 | 0 | 0 | 115.7 | ||||
| 836 | M | 20.5 | Very low | 28 | Very low | 144 Ų | 144 | 114.4 Ų | 114.4 | 71% | 0.709 | 72% | 0.718 | S | S | * | * | trans | -89.6 | 161.3 | -166.1 | -167.1 | -178.8 | -67.2 | 0 | 0 | 113.4 | ||||
| 837 | S | 21.2 | Very low | 29.2 | Very low | 123 Ų | 123 | 111.8 Ų | 111.8 | 86% | 0.86 | 69% | 0.694 | S | S | * | * | trans | -151.1 | 148.5 | 166.8 | -74.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 838 | T | 24.1 | Very low | 30 | Very low | 132 Ų | 132 | 112.9 Ų | 112.9 | 81% | 0.81 | 69% | 0.691 | S | S | * | * | trans | -128.3 | 158.9 | -164.7 | 51.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 839 | S | 22.3 | Very low | 30.7 | Very low | 122 Ų | 122 | 105.3 Ų | 105.3 | 85% | 0.853 | 67% | 0.665 | S | S | * | * | trans | -154.5 | 107.6 | 178.7 | 58.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 840 | G | 25.7 | Very low | 30.9 | Very low | 85 Ų | 85 | 104.5 Ų | 104.5 | 88% | 0.876 | 67% | 0.668 | S | S | * | * | trans | 82 | 68.2 | 141.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 841 | S | 31.1 | Very low | 30.5 | Very low | 83 Ų | 83 | 110.6 Ų | 110.6 | 58% | 0.58 | 69% | 0.694 | S | S | * | * | trans | -145.3 | 159.2 | 148.1 | 56.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 842 | Q | 35.7 | Very low | 30.7 | Very low | 184 Ų | 184 | 110.3 Ų | 110.3 | 86% | 0.86 | 69% | 0.692 | S | S | * | * | trans | -120.7 | 6.6 | -163.4 | -67.9 | -154 | 4.1 | 0 | 0 | 117.5 | N844 | Q842-N844 PolarHBondContact O-N 3.2Š| ||
| 843 | G | 40 | Very low | 30.7 | Very low | 34 Ų | 34 | 112.3 Ų | 112.3 | 35% | 0.351 | 70% | 0.701 | S | S | . | * | P | Polyproline II helix | trans | -67.5 | 123 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G805 | G805-G843 VanDerWaalsContact O-CA 3.31Å; G805-G843 WeakPolarHBondContact O-CA 3.4Å |
| 844 | N | 41.3 | Very low | 30.7 | Very low | 98 Ų | 98 | 112.2 Ų | 112.2 | 52% | 0.524 | 70% | 0.701 | S | S | . | * | P | Polyproline II helix | trans | -95.8 | 120.4 | -177.2 | -166.1 | 64.4 | 0 | 0 | 0 | 111.6 | N806 V807 Q842 T846 | N806-N844 WeakPolarHBondContact OD1-CB 3.39Å; N806-N844 PolarHBondContact OD1-N 3.03Å; V807-N844 PolarHBondContact N-O 2.91Å; V807-N844 VanDerWaalsContact N-O 3.11Å; Q842-N844 PolarHBondContact O-N 3.2Å; N844-T846 PolarHBondContact ND2-OG1 2.87Å |
| 845 | V | 46.1 | Very low | 30.8 | Very low | 84 Ų | 84 | 112.2 Ų | 112.2 | 51% | 0.509 | 70% | 0.7 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85 | 117.9 | 175.8 | -175.4 | 0 | 0 | 0 | 0 | 109.6 | V807 M814 | V807-V845 HydrophobicContact CB-CG2 4.34Å; V807-V845 CarbonylContact O-C 3.56Å; V807-V845 WeakPolarHBondContact O-CA 3.45Å; M814-V845 HydrophobicContact CE-CG1 3.98Å |
| 846 | T | 46.9 | Very low | 30.8 | Very low | 66 Ų | 66 | 106.9 Ų | 106.9 | 41% | 0.405 | 69% | 0.692 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.4 | 99.7 | -178 | -50.6 | 0 | 0 | 0 | 0 | 109.7 | V807 T808 S809 N844 | V807-T846 PolarHBondContact O-N 3.46Å; T808-T846 WeakPolarHBondContact CA-O 3.38Å; S809-T846 PolarHBondContact N-O 2.8Å; N844-T846 PolarHBondContact ND2-OG1 2.87Å |
| 847 | S | 46 | Very low | 30.8 | Very low | 52 Ų | 52 | 108.7 Ų | 108.7 | 36% | 0.364 | 70% | 0.698 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107 | 143.1 | 173.3 | 157.7 | 0 | 0 | 0 | 0 | 109.9 | G812 G849 | G812-S847 WeakPolarHBondContact CA-OG 3.31Å; G812-S847 PolarHBondContact O-OG 3.27Å; S847-G849 PolarHBondContact OG-N 2.88Å; S847-G849 VanDerWaalsContact OG-N 3.1Å; S847-G849 PolarHBondContact OG-O 3.32Å |
| 848 | S | 37.8 | Very low | 30.9 | Very low | 88 Ų | 88 | 106.6 Ų | 106.6 | 62% | 0.615 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -97.6 | 17.3 | 171.6 | 36.1 | 0 | 0 | 0 | 0 | 114.9 | S809 T810 | S809-S848 PolarHBondContact O-OG 2.85Å; T810-S848 VanDerWaalsContact C-OG 3.3Å; T810-S848 WeakPolarHBondContact CA-OG 3.32Å; T810-S848 PolarHBondContact O-OG 3.21Å |
| 849 | G | 37 | Very low | 30.8 | Very low | 34 Ų | 34 | 106.3 Ų | 106.3 | 35% | 0.351 | 70% | 0.7 | S | S | . | * | S | Bend | trans | -127 | 159.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | S847 | S847-G849 PolarHBondContact OG-N 2.88Å; S847-G849 VanDerWaalsContact OG-N 3.1Å; S847-G849 PolarHBondContact OG-O 3.32Å |
| 850 | E | 26.9 | Very low | 30.8 | Very low | 186 Ų | 186 | 107.3 Ų | 107.3 | 87% | 0.869 | 70% | 0.696 | S | S | * | * | trans | -82.1 | 127.6 | 174.6 | -67.3 | -173.9 | 129.1 | 0 | 0 | 111.1 | T852 | E850-T852 PolarHBondContact O-N 2.63Š| ||
| 851 | M | 24 | Very low | 30.6 | Very low | 185 Ų | 185 | 108 Ų | 108 | 91% | 0.911 | 69% | 0.687 | S | S | * | * | trans | -70.4 | 118.4 | 176.7 | -65.3 | -175.3 | -70.5 | 0 | 0 | 111.5 | ||||
| 852 | T | 25.4 | Very low | 30.1 | Very low | 124 Ų | 124 | 109.8 Ų | 109.8 | 76% | 0.761 | 69% | 0.694 | S | S | * | * | trans | -112.8 | 106.1 | 179.7 | 56.4 | 0 | 0 | 0 | 0 | 113.1 | E850 | E850-T852 PolarHBondContact O-N 2.63Š| ||
| 853 | S | 25.6 | Very low | 29.3 | Very low | 123 Ų | 123 | 107 Ų | 107 | 86% | 0.86 | 69% | 0.69 | S | S | * | * | trans | -96.8 | 108 | 171.7 | 50 | 0 | 0 | 0 | 0 | 111.5 | G855 | S853-G855 PolarHBondContact O-N 2.93Å; S853-G855 VanDerWaalsContact O-N 3.08Å | ||
| 854 | S | 22.2 | Very low | 28.4 | Very low | 125 Ų | 125 | 111 Ų | 111 | 87% | 0.874 | 71% | 0.712 | S | S | * | * | trans | -84.1 | 79.9 | -170.5 | 41.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 855 | G | 24.3 | Very low | 27.6 | Very low | 77 Ų | 77 | 109.8 Ų | 109.8 | 79% | 0.794 | 72% | 0.723 | S | S | * | * | trans | -61.9 | 150.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | S853 | S853-G855 PolarHBondContact O-N 2.93Å; S853-G855 VanDerWaalsContact O-N 3.08Å | ||
| 856 | A | 22.9 | Very low | 26.5 | Very low | 96 Ų | 96 | 114.6 Ų | 114.6 | 79% | 0.793 | 74% | 0.74 | S | S | * | * | trans | -92.5 | 159.9 | -164.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 857 | E | 21.3 | Very low | 25.2 | Very low | 181 Ų | 181 | 116.6 Ų | 116.6 | 85% | 0.846 | 75% | 0.751 | S | S | * | * | trans | 57.5 | 103.8 | 167.2 | -61.3 | -162.7 | 168.6 | 0 | 0 | 119.2 | ||||
| 858 | G | 22.5 | Very low | 24 | Very low | 79 Ų | 79 | 119.3 Ų | 119.3 | 81% | 0.814 | 77% | 0.766 | S | S | * | * | trans | -167.1 | 76.3 | 173 | 0 | 0 | 0 | 0 | 0 | 113.5 | N860 | G858-N860 PolarHBondContact O-N 3.11Š| ||
| 859 | S | 22 | Very low | 23.2 | Very low | 126 Ų | 126 | 121 Ų | 121 | 88% | 0.881 | 77% | 0.773 | S | S | * | * | trans | -63.5 | 129.9 | -173.1 | -71.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 860 | N | 21.8 | Very low | 22.5 | Very low | 144 Ų | 144 | 125 Ų | 125 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | trans | 74.4 | 91.1 | 153.4 | -176.8 | 77.8 | 0 | 0 | 0 | 119.1 | G858 | G858-N860 PolarHBondContact O-N 3.11Š| ||
| 861 | S | 22 | Very low | 22.2 | Very low | 99 Ų | 99 | 125.2 Ų | 125.2 | 69% | 0.692 | 79% | 0.785 | S | S | * | * | 177.7 | 109.9 | 108.6 | -75.1 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 862 | T | 20.1 | Very low | 22 | Very low | 120 Ų | 120 | 124.5 Ų | 124.5 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | 58.4 | 89.8 | 119.3 | -36.9 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 863 | V | 20.3 | Very low | 21.9 | Very low | 127 Ų | 127 | 122.2 Ų | 122.2 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | 76.4 | 131.2 | 123.9 | 173.5 | 0 | 0 | 0 | 0 | 123 | |||||
| 864 | S | 20.9 | Very low | 21.7 | Very low | 117 Ų | 117 | 123.6 Ų | 123.6 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | 95.2 | 125.9 | 144.4 | 64.1 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 865 | G | 23.8 | Very low | 21.6 | Very low | 72 Ų | 72 | 122.8 Ų | 122.8 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | trans | 96.7 | 149 | 147.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 866 | E | 22.5 | Very low | 21.3 | Very low | 185 Ų | 185 | 124.8 Ų | 124.8 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | cis | -177 | 143.6 | -30.4 | -120.5 | -167 | 145.2 | 0 | 0 | 109.5 | ||||
| 867 | V | 21 | Very low | 21.2 | Very low | 108 Ų | 108 | 125.1 Ų | 125.1 | 66% | 0.655 | 76% | 0.761 | S | S | * | * | trans | 75.3 | 98 | 140.9 | 174.3 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 868 | T | 19.8 | Very low | 21.3 | Very low | 110 Ų | 110 | 121.9 Ų | 121.9 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | 67.2 | 135.1 | 129.8 | 67.1 | 0 | 0 | 0 | 0 | 126.5 | |||||
| 869 | T | 20.8 | Very low | 21.3 | Very low | 124 Ų | 124 | 123.1 Ų | 123.1 | 76% | 0.761 | 76% | 0.761 | S | S | * | * | trans | 69.4 | 152.8 | 143.4 | 53 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 870 | T | 22.1 | Very low | 21.5 | Very low | 118 Ų | 118 | 120.5 Ų | 120.5 | 72% | 0.724 | 75% | 0.754 | S | S | * | * | cis | -161 | 149.6 | 30.7 | -25.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 871 | Y | 21.6 | Very low | 21.4 | Very low | 190 Ų | 190 | 119.7 Ų | 119.7 | 75% | 0.745 | 75% | 0.754 | S | S | * | * | trans | 27.6 | 124.7 | 150.7 | -91 | -111.2 | 0 | 0 | 0 | 124.7 | ||||
| 872 | E | 20.2 | Very low | 21.3 | Very low | 170 Ų | 170 | 120.9 Ų | 120.9 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | 46.5 | 135.2 | 126.3 | -62.6 | -173.9 | 168.3 | 0 | 0 | 124.9 | |||||
| 873 | G | 22.3 | Very low | 21.3 | Very low | 75 Ų | 75 | 120.2 Ų | 120.2 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | trans | 105.2 | 147.7 | 144.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 874 | N | 20.7 | Very low | 21.5 | Very low | 152 Ų | 152 | 119.3 Ų | 119.3 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | cis | -164.5 | 148.6 | -9.9 | -153.2 | 11.3 | 0 | 0 | 0 | 112.5 | ||||
| 875 | V | 20.5 | Very low | 21.9 | Very low | 108 Ų | 108 | 121.8 Ų | 121.8 | 66% | 0.655 | 76% | 0.756 | S | S | * | * | trans | 61.1 | 103.4 | 143.5 | 155.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 876 | T | 19.3 | Very low | 22 | Very low | 119 Ų | 119 | 123.4 Ų | 123.4 | 73% | 0.73 | 75% | 0.753 | S | S | * | * | trans | 77.3 | 144.7 | 132.4 | 66.8 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 877 | S | 19.5 | Very low | 22 | Very low | 104 Ų | 104 | 123.4 Ų | 123.4 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | 113.8 | 95.7 | 131.3 | 69.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 878 | S | 22.8 | Very low | 22.1 | Very low | 112 Ų | 112 | 122.3 Ų | 122.3 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | trans | 62 | 98.7 | 131.2 | 61.6 | 0 | 0 | 0 | 0 | 123 | ||||
| 879 | A | 23.3 | Very low | 22.1 | Very low | 105 Ų | 105 | 124.8 Ų | 124.8 | 87% | 0.868 | 77% | 0.772 | S | S | * | * | 72.6 | 123.6 | 112.5 | 0 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 880 | G | 25.3 | Very low | 22.1 | Very low | 72 Ų | 72 | 122.1 Ų | 122.1 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | trans | 97.3 | 156.7 | 148.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 881 | V | 20.4 | Very low | 22 | Very low | 126 Ų | 126 | 122.4 Ų | 122.4 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | cis | -155.1 | 146.7 | -9 | -170.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 882 | T | 19.8 | Very low | 22 | Very low | 125 Ų | 125 | 118.6 Ų | 118.6 | 77% | 0.767 | 77% | 0.766 | S | S | * | * | trans | 64.7 | 133.6 | 157.5 | 39.4 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 883 | S | 21.2 | Very low | 22.1 | Very low | 105 Ų | 105 | 115.6 Ų | 115.6 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | 105.5 | 137.6 | 124.2 | 67.6 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 884 | S | 24.3 | Very low | 22.2 | Very low | 108 Ų | 108 | 119.7 Ų | 119.7 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | trans | 72.7 | 124.5 | 153.5 | 42.2 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 885 | E | 29.6 | Very low | 22.2 | Very low | 170 Ų | 170 | 119.5 Ų | 119.5 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | -6.1 | 160.3 | 129.9 | -72.1 | -169.1 | 103.5 | 0 | 0 | 119.4 | |||||
| 886 | P | 26 | Very low | 22.2 | Very low | 105 Ų | 105 | 119.4 Ų | 119.4 | 68% | 0.682 | 76% | 0.756 | S | S | * | * | cis | -138.6 | 175.7 | 19.6 | 40.1 | -21.7 | 0 | 0 | 0 | 117.6 | ||||
| 887 | Q | 20.8 | Very low | 22.2 | Very low | 186 Ų | 186 | 118.3 Ų | 118.3 | 87% | 0.869 | 75% | 0.754 | S | S | * | * | trans | 3.6 | 121.2 | 143.8 | -54.9 | 176.2 | -1.8 | 0 | 0 | 118.1 | ||||
| 888 | G | 23.6 | Very low | 22.2 | Very low | 84 Ų | 84 | 119.2 Ų | 119.2 | 87% | 0.866 | 76% | 0.755 | S | S | * | * | trans | -131.4 | 136.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 889 | N | 20.7 | Very low | 22.2 | Very low | 163 Ų | 163 | 118.8 Ų | 118.8 | 87% | 0.872 | 75% | 0.752 | S | S | * | * | trans | -119 | 156 | -170 | -171.9 | 19.4 | 0 | 0 | 0 | 112.5 | ||||
| 890 | A | 20.9 | Very low | 22.1 | Very low | 67 Ų | 67 | 122 Ų | 122 | 55% | 0.554 | 75% | 0.749 | S | S | * | * | trans | 78 | 120.3 | 153.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 891 | T | 19.2 | Very low | 22 | Very low | 125 Ų | 125 | 122.9 Ų | 122.9 | 77% | 0.767 | 74% | 0.743 | S | S | * | * | trans | 49.6 | 113.3 | 132.5 | 60.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 892 | S | 20.7 | Very low | 21.9 | Very low | 110 Ų | 110 | 125.8 Ų | 125.8 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | 23.2 | 119.3 | 129.3 | 64.3 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 893 | S | 22.8 | Very low | 22 | Very low | 106 Ų | 106 | 123.4 Ų | 123.4 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | -165.7 | 134.8 | 115.7 | 58.4 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 894 | E | 24.3 | Very low | 22 | Very low | 161 Ų | 161 | 125.3 Ų | 125.3 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | trans | 55.4 | 117.2 | 138.3 | -64.3 | -162.6 | 120.6 | 0 | 0 | 121.5 | ||||
| 895 | Q | 21.9 | Very low | 21.9 | Very low | 148 Ų | 148 | 127.2 Ų | 127.2 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | 94.1 | 133.5 | 121 | -77.4 | -175.5 | 32 | 0 | 0 | 121.5 | |||||
| 896 | T | 19.8 | Very low | 21.5 | Very low | 107 Ų | 107 | 124.3 Ų | 124.3 | 66% | 0.656 | 74% | 0.744 | S | S | * | * | trans | 65.9 | 109.4 | 139.8 | 56.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 897 | S | 20.1 | Very low | 21.4 | Very low | 96 Ų | 96 | 124.2 Ų | 124.2 | 67% | 0.671 | 75% | 0.746 | S | S | * | * | 65.6 | 115.9 | 110.8 | -47.7 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 898 | T | 19.3 | Very low | 21.4 | Very low | 122 Ų | 122 | 121 Ų | 121 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | trans | 64.6 | 138.6 | 130.5 | 59.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 899 | S | 21.4 | Very low | 21.5 | Very low | 103 Ų | 103 | 120.8 Ų | 120.8 | 72% | 0.72 | 74% | 0.742 | S | S | * | * | trans | 70.5 | 146.2 | 158.1 | 81 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 900 | E | 21.2 | Very low | 21.7 | Very low | 174 Ų | 174 | 118.3 Ų | 118.3 | 81% | 0.813 | 74% | 0.737 | S | S | * | * | cis | -163.6 | 176 | -9 | -124.1 | 165.6 | -141.1 | 0 | 0 | 109.8 | ||||
| 901 | S | 23.2 | Very low | 21.8 | Very low | 89 Ų | 89 | 123.9 Ų | 123.9 | 62% | 0.622 | 75% | 0.752 | S | S | * | * | trans | 67 | 116 | 152.9 | 65.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 902 | M | 20 | Very low | 22 | Very low | 187 Ų | 187 | 122.9 Ų | 122.9 | 92% | 0.921 | 75% | 0.75 | S | S | * | * | 40.5 | 130.1 | 120.7 | -57 | 178.6 | -74.3 | 0 | 0 | 120.7 | |||||
| 903 | G | 22.1 | Very low | 22.1 | Very low | 76 Ų | 76 | 123.2 Ų | 123.2 | 78% | 0.784 | 75% | 0.748 | S | S | * | * | trans | 149.4 | 86 | 139.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 904 | N | 19.8 | Very low | 22.2 | Very low | 145 Ų | 145 | 126.1 Ų | 126.1 | 78% | 0.775 | 75% | 0.749 | S | S | * | * | 31.3 | 140.3 | 127.4 | -144 | 33.2 | 0 | 0 | 0 | 122.2 | |||||
| 905 | E | 22.2 | Very low | 22.1 | Very low | 147 Ų | 147 | 124.7 Ų | 124.7 | 69% | 0.687 | 75% | 0.752 | S | S | * | * | trans | 95.5 | 109.4 | 150.5 | -58.2 | -117.1 | -158.7 | 0 | 0 | 123.2 | ||||
| 906 | T | 21.6 | Very low | 22.2 | Very low | 109 Ų | 109 | 124.5 Ų | 124.5 | 67% | 0.669 | 76% | 0.761 | S | S | * | * | 51.3 | 120.3 | 112.6 | -28.9 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 907 | S | 23.2 | Very low | 22.4 | Very low | 103 Ų | 103 | 123.1 Ų | 123.1 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | 150.7 | 126.9 | 118.6 | -65.3 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 908 | S | 22.6 | Very low | 22.6 | Very low | 120 Ų | 120 | 129.6 Ų | 129.6 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | trans | 60.7 | 130.6 | 131.7 | 70.9 | 0 | 0 | 0 | 0 | 126.7 | ||||
| 909 | G | 24.7 | Very low | 22.9 | Very low | 78 Ų | 78 | 129 Ų | 129 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | 94 | 157.6 | 141.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 910 | S | 25.1 | Very low | 22.9 | Very low | 111 Ų | 111 | 133.2 Ų | 133.2 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | cis | -174.5 | 140.7 | -11.8 | 53.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 911 | E | 23.2 | Very low | 23 | Very low | 184 Ų | 184 | 128.7 Ų | 128.7 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | 57.2 | 132.3 | 146.5 | -67.4 | -166.2 | 128 | 0 | 0 | 125.7 | ||||
| 912 | S | 24.1 | Very low | 22.9 | Very low | 104 Ų | 104 | 132.2 Ų | 132.2 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | 113.6 | 111.3 | 123.5 | 72 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 913 | T | 22.2 | Very low | 23 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 72% | 0.718 | 79% | 0.788 | S | S | * | * | 66.6 | 116.6 | 127.2 | 60.2 | 0 | 0 | 0 | 0 | 126.4 | |||||
| 914 | Q | 23.7 | Very low | 22.9 | Very low | 167 Ų | 167 | 133.6 Ų | 133.6 | 78% | 0.78 | 79% | 0.791 | S | S | * | * | 82.7 | 148.8 | 118.8 | -70.7 | -169.9 | 22.5 | 0 | 0 | 125.6 | |||||
| 915 | T | 23.1 | Very low | 22.9 | Very low | 132 Ų | 132 | 131.7 Ų | 131.7 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | 95.8 | 156.2 | 145.9 | 30.1 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 916 | T | 23.5 | Very low | 22.9 | Very low | 143 Ų | 143 | 129.4 Ų | 129.4 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | trans | -114.4 | 148 | -152.3 | 52.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 917 | G | 24.9 | Very low | 22.9 | Very low | 78 Ų | 78 | 132.2 Ų | 132.2 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -130 | -175.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 918 | R | 23.6 | Very low | 22.8 | Very low | 233 Ų | 233 | 135 Ų | 135 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | trans | -146.9 | 146.2 | -166.1 | -123.7 | -174 | 178.7 | 153 | -2.4 | 115.2 | ||||
| 919 | T | 25.1 | Very low | 22.6 | Very low | 108 Ų | 108 | 137 Ų | 137 | 66% | 0.663 | 80% | 0.797 | S | S | * | * | trans | 63.3 | 126 | 149.5 | 46.5 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 920 | E | 21.4 | Very low | 22.5 | Very low | 193 Ų | 193 | 138.4 Ų | 138.4 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | 64.5 | 124.4 | 136.5 | -64.1 | 176.6 | -165.5 | 0 | 0 | 121.9 | ||||
| 921 | G | 23.8 | Very low | 22.4 | Very low | 79 Ų | 79 | 139.5 Ų | 139.5 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | trans | 163.5 | 126.3 | 162.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 922 | N | 21.7 | Very low | 22.3 | Very low | 162 Ų | 162 | 135.7 Ų | 135.7 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | trans | -95 | 171.4 | 178.3 | -97.1 | -22.2 | 0 | 0 | 0 | 112.8 | ||||
| 923 | I | 20.7 | Very low | 22.2 | Very low | 153 Ų | 153 | 135.3 Ų | 135.3 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | 110.3 | 138.4 | 156.3 | -54 | 157.7 | 0 | 0 | 0 | 116 | ||||
| 924 | T | 20.6 | Very low | 22.2 | Very low | 139 Ų | 139 | 135.1 Ų | 135.1 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | 83.4 | 150.8 | 167.5 | 16 | 0 | 0 | 0 | 0 | 120 | ||||
| 925 | S | 19.5 | Very low | 22.1 | Very low | 105 Ų | 105 | 131 Ų | 131 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | -105.5 | 171.1 | -156.9 | -43 | 0 | 0 | 0 | 0 | 115 | ||||
| 926 | S | 22.2 | Very low | 22.1 | Very low | 99 Ų | 99 | 128.3 Ų | 128.3 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | trans | 91.7 | 120.9 | 148 | -54 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 927 | M | 21.3 | Very low | 22 | Very low | 169 Ų | 169 | 129.3 Ų | 129.3 | 83% | 0.833 | 79% | 0.792 | S | S | * | * | trans | 66 | 145.4 | 141.2 | -67.7 | 155.7 | 171.6 | 0 | 0 | 119.2 | ||||
| 928 | E | 21.9 | Very low | 21.8 | Very low | 161 Ų | 161 | 131.6 Ų | 131.6 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | cis | -167.5 | 179.4 | -24.4 | -147 | 169.3 | -117.5 | 0 | 0 | 109.6 | ||||
| 929 | M | 19 | Very low | 21.7 | Very low | 162 Ų | 162 | 126.9 Ų | 126.9 | 80% | 0.798 | 79% | 0.787 | S | S | * | * | trans | 70.4 | 109.1 | 164.7 | -67.9 | -163.9 | -78.4 | 0 | 0 | 122.1 | ||||
| 930 | S | 22.7 | Very low | 21.5 | Very low | 107 Ų | 107 | 126.7 Ų | 126.7 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | 47.5 | 124.1 | 116.6 | -49.9 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 931 | T | 21.7 | Very low | 21.6 | Very low | 135 Ų | 135 | 122.4 Ų | 122.4 | 83% | 0.828 | 78% | 0.781 | S | S | * | * | -171.7 | 142.3 | 129 | 9.9 | 0 | 0 | 0 | 0 | 115 | |||||
| 932 | S | 21.3 | Very low | 21.6 | Very low | 104 Ų | 104 | 127.1 Ų | 127.1 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | 25.7 | 153.3 | 137.4 | 66.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 933 | S | 22.5 | Very low | 21.6 | Very low | 95 Ų | 95 | 127.7 Ų | 127.7 | 66% | 0.664 | 78% | 0.78 | S | S | * | * | cis | -176.8 | 161 | 4.8 | 39 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 934 | S | 22.6 | Very low | 21.6 | Very low | 113 Ų | 113 | 125.8 Ų | 125.8 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | 54.1 | 139.2 | 151.4 | 60.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 935 | G | 21.4 | Very low | 21.6 | Very low | 80 Ų | 80 | 124.6 Ų | 124.6 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | cis | 120.5 | 133.8 | 15 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 936 | G | 23 | Very low | 21.7 | Very low | 76 Ų | 76 | 125.6 Ų | 125.6 | 78% | 0.784 | 77% | 0.769 | S | S | * | * | trans | 136.8 | 99.2 | 177 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 937 | N | 20.1 | Very low | 21.7 | Very low | 165 Ų | 165 | 126.9 Ų | 126.9 | 88% | 0.882 | 78% | 0.778 | S | S | * | * | trans | -83.6 | 146.5 | 164.3 | -168.6 | 8.3 | 0 | 0 | 0 | 109.2 | ||||
| 938 | V | 21.7 | Very low | 21.8 | Very low | 125 Ų | 125 | 122.1 Ų | 122.1 | 76% | 0.758 | 77% | 0.773 | S | S | * | * | trans | -131 | 130.6 | -175.7 | 179.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 939 | T | 21.3 | Very low | 21.8 | Very low | 135 Ų | 135 | 119.8 Ų | 119.8 | 83% | 0.828 | 78% | 0.775 | S | S | * | * | trans | -90.8 | 126.6 | -175.2 | 52.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 940 | S | 21.7 | Very low | 22 | Very low | 104 Ų | 104 | 121.6 Ų | 121.6 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -159.5 | 122.4 | 151.6 | 40.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 941 | S | 22.8 | Very low | 22 | Very low | 102 Ų | 102 | 120.5 Ų | 120.5 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | cis | 88 | 116.8 | 48.1 | 76 | 0 | 0 | 0 | 0 | 114 | ||||
| 942 | E | 24.7 | Very low | 22.5 | Very low | 178 Ų | 178 | 120.3 Ų | 120.3 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | 74.2 | 111.6 | 152.5 | -61.2 | 178.6 | 164.6 | 0 | 0 | 120.9 | ||||
| 943 | E | 22 | Very low | 22.7 | Very low | 175 Ų | 175 | 124.4 Ų | 124.4 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | 61.6 | 163.8 | 127 | -60.6 | -149.4 | 134.5 | 0 | 0 | 124.5 | |||||
| 944 | T | 20.8 | Very low | 23.1 | Very low | 112 Ų | 112 | 125.8 Ų | 125.8 | 69% | 0.687 | 80% | 0.8 | S | S | * | * | trans | 78.1 | 94.7 | 156.2 | 46.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 945 | T | 20.4 | Very low | 23.1 | Very low | 115 Ų | 115 | 128.6 Ų | 128.6 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | 56.2 | 109.4 | 121.8 | 60 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 946 | T | 21.5 | Very low | 23.2 | Very low | 125 Ų | 125 | 128.8 Ų | 128.8 | 77% | 0.767 | 81% | 0.808 | S | S | * | * | 59.5 | 121.1 | 129.2 | 61.9 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 947 | S | 20.9 | Very low | 23.2 | Very low | 126 Ų | 126 | 129.2 Ų | 129.2 | 88% | 0.881 | 81% | 0.812 | S | S | * | * | trans | 79.8 | 111.3 | 132.5 | -59.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 948 | G | 23.1 | Very low | 23.5 | Very low | 69 Ų | 69 | 125 Ų | 125 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | trans | 155.5 | 98.6 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 949 | S | 23.5 | Very low | 23.6 | Very low | 113 Ų | 113 | 130 Ų | 130 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | 56.9 | 93.9 | 61.5 | 84.6 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 950 | E | 23.1 | Very low | 23.7 | Very low | 199 Ų | 199 | 129.6 Ų | 129.6 | 93% | 0.93 | 82% | 0.817 | S | S | * | * | -175.9 | 173.3 | 104.5 | -98 | -170.1 | 163.3 | 0 | 0 | 112.9 | |||||
| 951 | A | 21.8 | Very low | 23.7 | Very low | 85 Ų | 85 | 130.7 Ų | 130.7 | 70% | 0.702 | 82% | 0.82 | S | S | * | * | trans | -81.8 | 163.7 | -162.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 952 | S | 32.1 | Very low | 23.6 | Very low | 130 Ų | 130 | 134.4 Ų | 134.4 | 91% | 0.909 | 83% | 0.828 | S | S | * | * | trans | -148.3 | 135.9 | 139 | -83.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 953 | Q | 25.1 | Very low | 23.5 | Very low | 191 Ų | 191 | 131.3 Ų | 131.3 | 89% | 0.893 | 83% | 0.826 | S | S | * | * | trans | -105.2 | 145.2 | 177.6 | -61.5 | 168.4 | -15 | 0 | 0 | 109.5 | ||||
| 954 | S | 31.3 | Very low | 23.5 | Very low | 123 Ų | 123 | 126.9 Ų | 126.9 | 86% | 0.86 | 83% | 0.827 | S | S | * | * | trans | -152.7 | 160.5 | 150.7 | 71 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 955 | N | 22.3 | Very low | 23.7 | Very low | 173 Ų | 173 | 130.3 Ų | 130.3 | 93% | 0.925 | 84% | 0.835 | S | S | * | * | trans | -107.1 | 149.5 | -166.6 | -84.3 | -41.6 | 0 | 0 | 0 | 113.3 | ||||
| 956 | G | 24.5 | Very low | 23.6 | Very low | 83 Ų | 83 | 131.4 Ų | 131.4 | 86% | 0.856 | 84% | 0.842 | S | S | * | * | trans | 100.1 | 144.1 | 152.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 957 | G | 22.6 | Very low | 23.6 | Very low | 85 Ų | 85 | 131.9 Ų | 131.9 | 88% | 0.876 | 84% | 0.844 | S | S | * | * | cis | 140 | 88.6 | -1.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 958 | G | 25.9 | Very low | 23.7 | Very low | 76 Ų | 76 | 132 Ų | 132 | 78% | 0.784 | 84% | 0.84 | S | S | * | * | trans | 179.5 | 113.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 959 | Y | 23.5 | Very low | 23.6 | Very low | 230 Ų | 230 | 134.8 Ų | 134.8 | 90% | 0.902 | 85% | 0.849 | S | S | * | * | trans | -80.4 | 134.8 | 174.1 | -74.9 | -105.5 | 0 | 0 | 0 | 110.3 | ||||
| 960 | S | 24.1 | Very low | 23.7 | Very low | 127 Ų | 127 | 132.9 Ų | 132.9 | 89% | 0.888 | 85% | 0.847 | S | S | * | * | trans | -163.6 | 142.1 | 136.3 | -80.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 961 | T | 21.3 | Very low | 23.6 | Very low | 128 Ų | 128 | 131.8 Ų | 131.8 | 79% | 0.785 | 85% | 0.846 | S | S | * | * | trans | -99.9 | 135.2 | -168.8 | 46.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 962 | M | 22 | Very low | 23.5 | Very low | 179 Ų | 179 | 131.6 Ų | 131.6 | 88% | 0.882 | 85% | 0.852 | S | S | * | * | trans | -174 | 113.7 | 144.3 | -97.5 | 158.9 | -169.3 | 0 | 0 | 104.5 | ||||
| 963 | S | 21.9 | Very low | 23 | Very low | 113 Ų | 113 | 129.1 Ų | 129.1 | 79% | 0.79 | 85% | 0.847 | S | S | * | * | cis | 54.3 | 96.4 | 43.1 | 82.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 964 | G | 22.8 | Very low | 22.8 | Very low | 82 Ų | 82 | 127 Ų | 127 | 85% | 0.845 | 84% | 0.842 | S | S | * | * | trans | 160.6 | 62.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 965 | E | 23.2 | Very low | 22.5 | Very low | 184 Ų | 184 | 125.8 Ų | 125.8 | 86% | 0.86 | 84% | 0.839 | S | S | * | * | trans | -139.5 | 113.6 | 167.2 | -155.5 | 160 | -128.9 | 0 | 0 | 109.4 | ||||
| 966 | V | 19 | Very low | 22.4 | Very low | 139 Ų | 139 | 123.3 Ų | 123.3 | 84% | 0.842 | 83% | 0.83 | S | S | * | * | trans | -138.9 | 113.4 | 173.7 | 173.6 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 967 | T | 22.4 | Very low | 22.4 | Very low | 134 Ų | 134 | 125.3 Ų | 125.3 | 82% | 0.822 | 83% | 0.831 | S | S | * | * | trans | -139.3 | 143.7 | 168.6 | 39 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 968 | T | 21.9 | Very low | 22.3 | Very low | 128 Ų | 128 | 127.3 Ų | 127.3 | 79% | 0.785 | 83% | 0.832 | S | S | * | * | trans | -99.1 | 147.3 | -170.5 | 47.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 969 | S | 21.9 | Very low | 22.3 | Very low | 129 Ų | 129 | 128.2 Ų | 128.2 | 90% | 0.902 | 83% | 0.832 | S | S | * | * | trans | 5.8 | 131.7 | 155.2 | -49 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 970 | G | 24.6 | Very low | 22.1 | Very low | 73 Ų | 73 | 126.9 Ų | 126.9 | 75% | 0.753 | 83% | 0.834 | S | S | * | * | trans | 150.3 | 146.1 | 161.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 971 | I | 21 | Very low | 22.1 | Very low | 175 Ų | 175 | 125 Ų | 125 | 90% | 0.897 | 83% | 0.826 | S | S | * | * | cis | -150 | 135.3 | -5.9 | -75.7 | 173.3 | 0 | 0 | 0 | 108.4 | ||||
| 972 | G | 20.3 | Very low | 21.9 | Very low | 81 Ų | 81 | 125.6 Ų | 125.6 | 84% | 0.835 | 83% | 0.83 | S | S | * | * | trans | 61.2 | 179.3 | 146.1 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 973 | G | 21.5 | Very low | 22 | Very low | 78 Ų | 78 | 123.9 Ų | 123.9 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | trans | 124.9 | 69.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 974 | N | 21.1 | Very low | 22 | Very low | 147 Ų | 147 | 124.7 Ų | 124.7 | 79% | 0.786 | 83% | 0.83 | S | S | * | * | trans | -38.9 | 143.2 | 171.8 | -175.4 | 14.1 | 0 | 0 | 0 | 115.5 | ||||
| 975 | A | 25.8 | Very low | 22.1 | Very low | 97 Ų | 97 | 126.5 Ų | 126.5 | 80% | 0.802 | 83% | 0.83 | S | S | * | * | trans | -131.4 | 106.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 976 | T | 20.3 | Very low | 22 | Very low | 121 Ų | 121 | 121.5 Ų | 121.5 | 74% | 0.742 | 83% | 0.828 | S | S | * | * | trans | -89.3 | 140 | 173.2 | 39.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 977 | S | 23.6 | Very low | 22.5 | Very low | 125 Ų | 125 | 120.6 Ų | 120.6 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | trans | -169.6 | 131.4 | 147 | 36.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 978 | S | 21.1 | Very low | 22.4 | Very low | 127 Ų | 127 | 124 Ų | 124 | 89% | 0.888 | 83% | 0.834 | S | S | * | * | trans | -83.4 | 146.1 | 172.4 | -29.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 979 | A | 25.3 | Very low | 22.6 | Very low | 96 Ų | 96 | 121.4 Ų | 121.4 | 79% | 0.793 | 83% | 0.833 | S | S | * | * | trans | -154.3 | 99.5 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 980 | E | 18.7 | Very low | 22.5 | Very low | 201 Ų | 201 | 123.2 Ų | 123.2 | 94% | 0.939 | 83% | 0.833 | S | S | * | * | trans | -68.4 | 135.9 | 156.8 | -62.5 | -178.8 | 115.1 | 0 | 0 | 109.2 | ||||
| 981 | A | 24.3 | Very low | 22.4 | Very low | 88 Ų | 88 | 124.2 Ų | 124.2 | 73% | 0.727 | 83% | 0.834 | S | S | * | * | trans | -146 | 79.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | T983 | A981-T983 PolarHBondContact O-N 2.91Š| ||
| 982 | T | 17.4 | Very low | 22.3 | Very low | 141 Ų | 141 | 121.8 Ų | 121.8 | 87% | 0.865 | 83% | 0.828 | S | S | * | * | trans | -63.1 | 119.6 | 169.7 | 44.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 983 | T | 24.6 | Very low | 22.4 | Very low | 142 Ų | 142 | 123 Ų | 123 | 87% | 0.871 | 82% | 0.823 | S | S | * | * | trans | -130.8 | 150.2 | 158.1 | 42.4 | 0 | 0 | 0 | 0 | 109.9 | A981 | A981-T983 PolarHBondContact O-N 2.91Š| ||
| 984 | T | 21.6 | Very low | 22.4 | Very low | 130 Ų | 130 | 124.4 Ų | 124.4 | 80% | 0.798 | 82% | 0.821 | S | S | * | * | trans | -114.3 | 177.4 | -159.1 | 48.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 985 | S | 24.9 | Very low | 22.5 | Very low | 120 Ų | 120 | 125 Ų | 125 | 84% | 0.839 | 82% | 0.819 | S | S | * | * | trans | 72.9 | 125.1 | -173.9 | 75.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 986 | G | 21.9 | Very low | 22.5 | Very low | 79 Ų | 79 | 127.2 Ų | 127.2 | 81% | 0.814 | 81% | 0.812 | S | S | * | * | cis | 103.8 | 94.3 | -7.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 987 | S | 27.8 | Very low | 22.6 | Very low | 121 Ų | 121 | 128.6 Ų | 128.6 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | trans | -158.3 | 114.6 | 155.6 | 55.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 988 | E | 21.9 | Very low | 22.5 | Very low | 204 Ų | 204 | 127.7 Ų | 127.7 | 95% | 0.953 | 81% | 0.806 | S | S | * | * | trans | -68.1 | 145.2 | 174.1 | -58.6 | 160.5 | 125.5 | 0 | 0 | 110.1 | ||||
| 989 | G | 24.8 | Very low | 23.1 | Very low | 75 Ų | 75 | 128.2 Ų | 128.2 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | -170.6 | 62.7 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | A991 | G989-A991 PolarHBondContact O-N 3Š| ||
| 990 | N | 20.2 | Very low | 23.3 | Very low | 167 Ų | 167 | 129.2 Ų | 129.2 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | trans | -68.6 | 108.4 | 167.7 | 175.5 | 10.4 | 0 | 0 | 0 | 110.7 | ||||
| 991 | A | 22.1 | Very low | 23.4 | Very low | 93 Ų | 93 | 123.1 Ų | 123.1 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | -152.7 | 126.9 | 167 | 0 | 0 | 0 | 0 | 0 | 112.6 | G989 | G989-A991 PolarHBondContact O-N 3Š| ||
| 992 | T | 19.9 | Very low | 23.8 | Very low | 125 Ų | 125 | 124.9 Ų | 124.9 | 77% | 0.767 | 80% | 0.801 | S | S | * | * | trans | -81.3 | 159.4 | 168.2 | 49.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 993 | S | 20.8 | Very low | 24.1 | Very low | 107 Ų | 107 | 127.1 Ų | 127.1 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | 86.9 | 128.4 | 158.4 | 79.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 994 | S | 22.4 | Very low | 24.2 | Very low | 107 Ų | 107 | 124.1 Ų | 124.1 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | 48.6 | 119.9 | 137.9 | -50.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 995 | E | 23.6 | Very low | 24.2 | Very low | 159 Ų | 159 | 125.4 Ų | 125.4 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | 170.6 | 145.5 | 98.8 | -93.8 | -165.3 | -176.2 | 0 | 0 | 114.7 | |||||
| 996 | Q | 25.5 | Very low | 24.2 | Very low | 143 Ų | 143 | 125.5 Ų | 125.5 | 67% | 0.668 | 79% | 0.788 | S | S | * | * | trans | 66.4 | 160.9 | 149.6 | -67.9 | -175.5 | 51.3 | 0 | 0 | 118.5 | ||||
| 997 | M | 22.1 | Very low | 24.3 | Very low | 150 Ų | 150 | 127.9 Ų | 127.9 | 74% | 0.739 | 79% | 0.787 | S | S | * | * | cis | -150.1 | 128 | 2.7 | -138.3 | -174 | -54.8 | 0 | 0 | 114.6 | ||||
| 998 | S | 22.3 | Very low | 24.3 | Very low | 106 Ų | 106 | 127.4 Ų | 127.4 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | trans | 40.6 | 125 | 134.8 | -56.7 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 999 | T | 33 | Very low | 24.4 | Very low | 138 Ų | 138 | 123.3 Ų | 123.3 | 85% | 0.847 | 78% | 0.777 | S | S | * | * | trans | -146.9 | 121.7 | 135 | 26.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1000 | S | 29.7 | Very low | 24.5 | Very low | 117 Ų | 117 | 123.4 Ų | 123.4 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | 25.4 | 121.7 | 154.7 | 55.2 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1001 | G | 21.2 | Very low | 24.8 | Very low | 74 Ų | 74 | 121.2 Ų | 121.2 | 76% | 0.763 | 78% | 0.777 | S | S | * | * | trans | -90.9 | -166.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1002 | P | 31.9 | Very low | 24.8 | Very low | 125 Ų | 125 | 122.9 Ų | 122.9 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | -148.5 | 155.2 | 92.4 | 39.8 | -24.1 | 0 | 0 | 0 | 118.7 | |||||
| 1003 | Q | 24.2 | Very low | 25 | Very low | 188 Ų | 188 | 120.4 Ų | 120.4 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | trans | 69.1 | 123 | 150 | -77.3 | -165.5 | -103.6 | 0 | 0 | 124.4 | ||||
| 1004 | A | 26.1 | Very low | 25 | Very low | 78 Ų | 78 | 122.9 Ų | 122.9 | 65% | 0.645 | 79% | 0.787 | S | S | * | * | 91.8 | 96.5 | 126.8 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 1005 | D | 22.1 | Very low | 24.9 | Very low | 157 Ų | 157 | 121 Ų | 121 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | 75.8 | 125.6 | 121.5 | -77.2 | -36.1 | 0 | 0 | 0 | 124.6 | |||||
| 1006 | V | 25.5 | Very low | 24.8 | Very low | 122 Ų | 122 | 119.8 Ų | 119.8 | 74% | 0.739 | 78% | 0.781 | S | S | * | * | trans | 83.5 | 88 | 142.8 | -179 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1007 | T | 22.9 | Very low | 24.6 | Very low | 130 Ų | 130 | 118.1 Ų | 118.1 | 80% | 0.798 | 79% | 0.785 | S | S | * | * | trans | 24.9 | 114.1 | 135.2 | 61.1 | 0 | 0 | 0 | 0 | 123 | ||||
| 1008 | S | 28 | Very low | 24.6 | Very low | 110 Ų | 110 | 115.5 Ų | 115.5 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | -169 | 137.5 | 123.2 | 54.9 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 1009 | S | 24.9 | Very low | 24.9 | Very low | 118 Ų | 118 | 118.8 Ų | 118.8 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | cis | 71.5 | 94 | 36.2 | 82.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1010 | G | 27.1 | Very low | 24.4 | Very low | 78 Ų | 78 | 119.6 Ų | 119.6 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | 166.9 | 119.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1011 | S | 26 | Very low | 23.9 | Very low | 121 Ų | 121 | 121.2 Ų | 121.2 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | trans | -49 | 166 | -176.3 | -46 | 0 | 0 | 0 | 0 | 119 | ||||
| 1012 | S | 22.7 | Very low | 23.9 | Very low | 127 Ų | 127 | 123.4 Ų | 123.4 | 89% | 0.888 | 78% | 0.775 | S | S | * | * | trans | -56.4 | 146.2 | 161.5 | 43.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1013 | G | 23.2 | Very low | 23.4 | Very low | 73 Ų | 73 | 123.2 Ų | 123.2 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | trans | 158.5 | 114.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1014 | N | 21 | Very low | 23.4 | Very low | 160 Ų | 160 | 119.8 Ų | 119.8 | 86% | 0.856 | 77% | 0.768 | S | S | * | * | trans | 77.3 | 122.8 | 151 | -156.2 | 40.4 | 0 | 0 | 0 | 121.5 | ||||
| 1015 | A | 20.9 | Very low | 23.2 | Very low | 66 Ų | 66 | 120.4 Ų | 120.4 | 55% | 0.545 | 77% | 0.773 | S | S | . | * | trans | 28.6 | 132.9 | 145.5 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 1016 | T | 20.8 | Very low | 23.3 | Very low | 135 Ų | 135 | 119.3 Ų | 119.3 | 83% | 0.828 | 78% | 0.777 | S | S | * | * | trans | 51.3 | 109.5 | 140.5 | 58.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1017 | S | 20.9 | Very low | 23.5 | Very low | 107 Ų | 107 | 117.5 Ų | 117.5 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | 171.9 | 144.3 | 108 | 62.6 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1018 | S | 23.1 | Very low | 23.6 | Very low | 95 Ų | 95 | 115.2 Ų | 115.2 | 66% | 0.664 | 79% | 0.786 | S | S | * | * | trans | 69.6 | 153.3 | 144.7 | -59.8 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1019 | E | 27 | Very low | 23.6 | Very low | 175 Ų | 175 | 117.9 Ų | 117.9 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | 68.3 | 144 | 146.8 | -75.5 | 155.1 | -122.4 | 0 | 0 | 119.9 | ||||
| 1020 | E | 23.9 | Very low | 23.6 | Very low | 156 Ų | 156 | 120 Ų | 120 | 73% | 0.729 | 79% | 0.789 | S | S | * | * | cis | -165.6 | -166.9 | -23.9 | -144.5 | -159.9 | -149.7 | 0 | 0 | 109.9 | ||||
| 1021 | M | 19.8 | Very low | 23.5 | Very low | 151 Ų | 151 | 121.8 Ų | 121.8 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | trans | 71.5 | 124 | 170.6 | -59.2 | -179.3 | -78 | 0 | 0 | 116.3 | ||||
| 1022 | T | 19.7 | Very low | 23.3 | Very low | 120 Ų | 120 | 121.8 Ų | 121.8 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | cis | 68.5 | 137.9 | 40 | 88.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1023 | T | 21 | Very low | 23.4 | Very low | 121 Ų | 121 | 122 Ų | 122 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | cis | -149.3 | -177.8 | 27.2 | 53.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1024 | S | 25.2 | Very low | 23.4 | Very low | 116 Ų | 116 | 126 Ų | 126 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | trans | 82.4 | 152.1 | 168.6 | 79.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1025 | A | 21.8 | Very low | 23.7 | Very low | 90 Ų | 90 | 126.7 Ų | 126.7 | 74% | 0.744 | 77% | 0.772 | S | S | * | * | cis | 152 | 156.2 | -39.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1026 | S | 24.8 | Very low | 23.8 | Very low | 134 Ų | 134 | 127.9 Ų | 127.9 | 94% | 0.937 | 78% | 0.782 | S | S | * | * | trans | 79.9 | 132 | 176.9 | 80.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 1027 | G | 29 | Very low | 23.9 | Very low | 85 Ų | 85 | 127.6 Ų | 127.6 | 88% | 0.876 | 79% | 0.785 | S | S | * | * | trans | 145.6 | 119.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1028 | G | 24.3 | Very low | 24 | Very low | 82 Ų | 82 | 129 Ų | 129 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | 168.8 | 171.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1029 | N | 29.4 | Very low | 24.2 | Very low | 166 Ų | 166 | 130.2 Ų | 130.2 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | trans | -148 | 168.7 | 167.4 | -146.9 | -17.9 | 0 | 0 | 0 | 110.4 | ||||
| 1030 | Q | 23.6 | Very low | 24.2 | Very low | 163 Ų | 163 | 127.1 Ų | 127.1 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | trans | -99.6 | 174 | -153.3 | -62.6 | -171.1 | -25.4 | 0 | 0 | 117.1 | ||||
| 1031 | T | 25.2 | Very low | 24.6 | Very low | 115 Ų | 115 | 125.4 Ų | 125.4 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | trans | 89.7 | 96.3 | 143.5 | 28.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1032 | T | 22.6 | Very low | 24.8 | Very low | 121 Ų | 121 | 122.2 Ų | 122.2 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | 78.5 | 114.5 | 122.2 | 50 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 1033 | V | 24.4 | Very low | 25 | Very low | 131 Ų | 131 | 120 Ų | 120 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | 92.1 | 133.3 | 127.3 | 174.8 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 1034 | E | 24.1 | Very low | 25.1 | Very low | 158 Ų | 158 | 118.9 Ų | 118.9 | 74% | 0.738 | 81% | 0.808 | S | S | * | * | trans | -40.3 | 159.8 | 168.2 | -27.9 | 174.3 | 140.4 | 0 | 0 | 115.3 | ||||
| 1035 | Q | 25.4 | Very low | 25 | Very low | 174 Ų | 174 | 124 Ų | 124 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | cis | -149.4 | 178.7 | 32.4 | -73.7 | -165.9 | -14 | 0 | 0 | 112.9 | ||||
| 1036 | A | 23.4 | Very low | 25.7 | Very low | 91 Ų | 91 | 124.5 Ų | 124.5 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | trans | -84.3 | 155.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1037 | S | 24.5 | Very low | 25.6 | Very low | 129 Ų | 129 | 124.2 Ų | 124.2 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | -170.2 | 153.6 | 140.5 | -84.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1038 | T | 22.5 | Very low | 25.4 | Very low | 135 Ų | 135 | 124.7 Ų | 124.7 | 83% | 0.828 | 80% | 0.795 | S | S | * | * | trans | -90.7 | 149.1 | -178.9 | 52.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1039 | S | 26.2 | Very low | 25.3 | Very low | 121 Ų | 121 | 126.7 Ų | 126.7 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | 174 | 146.7 | 124 | 54 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1040 | S | 28.6 | Very low | 25.2 | Very low | 110 Ų | 110 | 122.5 Ų | 122.5 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -77.7 | -166.5 | 160 | -28.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1041 | P | 31.6 | Very low | 25.1 | Very low | 121 Ų | 121 | 123.7 Ų | 123.7 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | cis | -150.1 | 167.2 | 26.8 | 43.5 | -22.3 | 0 | 0 | 0 | 120.5 | ||||
| 1042 | G | 23.7 | Very low | 24.9 | Very low | 84 Ų | 84 | 124.2 Ų | 124.2 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | trans | 75.9 | 158.6 | 148.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1043 | G | 23.2 | Very low | 24.7 | Very low | 73 Ų | 73 | 124.5 Ų | 124.5 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | cis | 156.6 | 154 | -9.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1044 | A | 23.8 | Very low | 24.7 | Very low | 98 Ų | 98 | 123.2 Ų | 123.2 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | trans | 70.2 | 150.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1045 | Y | 23.5 | Very low | 24.6 | Very low | 222 Ų | 222 | 121.4 Ų | 121.4 | 87% | 0.871 | 80% | 0.804 | S | S | * | * | cis | -162.6 | -174.7 | -24.3 | -122.2 | -57.5 | 0 | 0 | 0 | 108 | ||||
| 1046 | P | 36.5 | Very low | 24.7 | Very low | 102 Ų | 102 | 116.8 Ų | 116.8 | 66% | 0.662 | 80% | 0.803 | S | S | * | * | -115.3 | -150.6 | -118.1 | 47.3 | -34.9 | 0 | 0 | 0 | 116.5 | |||||
| 1047 | T | 22.8 | Very low | 24.8 | Very low | 128 Ų | 128 | 116.7 Ų | 116.7 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | 90.9 | 106.6 | 163 | 25.2 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1048 | A | 23.5 | Very low | 24.6 | Very low | 95 Ų | 95 | 120 Ų | 120 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | 43.4 | 141.7 | 124.6 | 0 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 1049 | S | 23 | Very low | 24.6 | Very low | 123 Ų | 123 | 117 Ų | 117 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | cis | -164.6 | 155.1 | 3.3 | 42.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1050 | G | 26.6 | Very low | 24.4 | Very low | 78 Ų | 78 | 119.2 Ų | 119.2 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -175 | 128 | 171 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1051 | E | 21.4 | Very low | 24.1 | Very low | 188 Ų | 188 | 117.9 Ų | 117.9 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | trans | -109.1 | -167.5 | -169.5 | -63.3 | 173.2 | 103.6 | 0 | 0 | 112.4 | ||||
| 1052 | V | 21.2 | Very low | 23.6 | Very low | 126 Ų | 126 | 117.2 Ų | 117.2 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | trans | 87.1 | 85.3 | 163.9 | -165.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1053 | T | 19.7 | Very low | 23.5 | Very low | 127 Ų | 127 | 117.5 Ų | 117.5 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | 23 | 145 | 121.2 | 65.2 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 1054 | S | 23.2 | Very low | 23.5 | Very low | 105 Ų | 105 | 118.5 Ų | 118.5 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | cis | -175.3 | -179.6 | 45.5 | 56.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1055 | S | 23.4 | Very low | 23.6 | Very low | 119 Ų | 119 | 120 Ų | 120 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | trans | 95 | 142.1 | 151.4 | 80.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 1056 | G | 27.3 | Very low | 23.4 | Very low | 77 Ų | 77 | 114.1 Ų | 114.1 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | trans | 80.9 | 154.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1057 | A | 24.2 | Very low | 22.6 | Very low | 89 Ų | 89 | 111.7 Ų | 111.7 | 74% | 0.736 | 73% | 0.732 | S | S | * | * | cis | -169.2 | 153.7 | -23.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 1058 | E | 22 | Very low | 22.7 | Very low | 198 Ų | 198 | 109.5 Ų | 109.5 | 93% | 0.925 | 72% | 0.719 | S | S | * | * | trans | 48.9 | 150.2 | 150.6 | -66 | 170.8 | -171.3 | 0 | 0 | 123.2 | ||||
| 1059 | G | 22.5 | Very low | 22.7 | Very low | 74 Ų | 74 | 110.9 Ų | 110.9 | 76% | 0.763 | 72% | 0.722 | S | S | * | * | trans | 97.8 | 80.8 | 132.7 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1060 | N | 20.8 | Very low | 22.8 | Very low | 166 Ų | 166 | 108.6 Ų | 108.6 | 89% | 0.888 | 72% | 0.718 | S | S | * | * | trans | 30.5 | 141.4 | 132.9 | -158.1 | 11.2 | 0 | 0 | 0 | 123.1 | ||||
| 1061 | A | 21.7 | Very low | 22.9 | Very low | 83 Ų | 83 | 111.2 Ų | 111.2 | 69% | 0.686 | 72% | 0.724 | S | S | * | * | trans | 95 | 106.9 | 149.6 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1062 | S | 22.6 | Very low | 22.9 | Very low | 107 Ų | 107 | 107.6 Ų | 107.6 | 75% | 0.748 | 73% | 0.726 | S | S | * | * | 75.6 | 121.6 | 126.2 | -157.3 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 1063 | S | 20.8 | Very low | 23.2 | Very low | 89 Ų | 89 | 105.5 Ų | 105.5 | 62% | 0.622 | 73% | 0.73 | S | S | * | * | trans | 78.4 | 131.5 | 133.8 | 54.6 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 1064 | T | 24.2 | Very low | 23.2 | Very low | 95 Ų | 95 | 106.4 Ų | 106.4 | 58% | 0.583 | 73% | 0.73 | S | S | * | * | trans | 73 | 129.8 | 149.8 | 42.6 | 0 | 0 | 0 | 0 | 118.7 | E1087 | T1064-E1087 PolarHBondContact N-OE1 3.47Š| ||
| 1065 | E | 24.1 | Very low | 23.4 | Very low | 128 Ų | 128 | 108 Ų | 108 | 60% | 0.598 | 74% | 0.735 | S | S | * | * | cis | -163 | 152.2 | 27.8 | -122 | -179.7 | -162.2 | 0 | 0 | 115.2 | E1087 | E1065-E1087 PolarHBondContact N-OE2 3Š| ||
| 1066 | M | 19.4 | Very low | 23.3 | Very low | 99 Ų | 99 | 108 Ų | 108 | 49% | 0.488 | 73% | 0.731 | S | S | . | * | trans | 46.3 | 103.8 | 139.9 | -72.7 | -162.9 | -73.8 | 0 | 0 | 126.5 | W1088 | M1066-W1088 HydrophobicContact CG-CE3 3.68Å; M1066-W1088 HydrophobicContact CG-CZ3 3.91Å | ||
| 1067 | T | 21.3 | Very low | 23.1 | Very low | 51 Ų | 51 | 110.1 Ų | 110.1 | 31% | 0.313 | 73% | 0.733 | S | S | . | * | 95.6 | 118.4 | 111.9 | 64.6 | 0 | 0 | 0 | 0 | 127.1 | W1088 G1090 | T1067-W1088 WeakPolarHBondContact CA-O 3.27Å; T1067-W1088 PolarHBondContact N-O 2.99Å; T1067-G1090 VanDerWaalsContact CG2-N 3.32Å | |||
| 1068 | T | 23.4 | Very low | 23.1 | Very low | 83 Ų | 83 | 110.6 Ų | 110.6 | 51% | 0.509 | 73% | 0.731 | S | S | . | * | trans | 88.7 | 143.3 | 130.6 | 64.1 | 0 | 0 | 0 | 0 | 125.8 | N1089 | T1068-N1089 VanDerWaalsContact CG2-OD1 3.24Å; T1068-N1089 WeakPolarHBondContact CG2-OD1 3.39Å | ||
| 1069 | S | 23.4 | Very low | 23.2 | Very low | 124 Ų | 124 | 109.3 Ų | 109.3 | 87% | 0.867 | 73% | 0.725 | S | S | * | * | trans | 97.3 | 103 | 155.4 | 78.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1070 | G | 25.3 | Very low | 23.3 | Very low | 74 Ų | 74 | 114.1 Ų | 114.1 | 76% | 0.763 | 73% | 0.727 | S | S | * | * | trans | -96.3 | -171.4 | -170.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1071 | S | 29.3 | Very low | 23.2 | Very low | 134 Ų | 134 | 114.5 Ų | 114.5 | 94% | 0.937 | 73% | 0.726 | S | S | * | * | trans | -167.6 | 157.2 | 161.2 | -83.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1072 | A | 21.2 | Very low | 23.2 | Very low | 111 Ų | 111 | 115.5 Ų | 115.5 | 92% | 0.917 | 73% | 0.728 | S | S | * | * | trans | -105.4 | 144.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1073 | G | 26.7 | Very low | 23.1 | Very low | 82 Ų | 82 | 116.7 Ų | 116.7 | 85% | 0.845 | 73% | 0.731 | S | S | * | * | trans | -169.7 | 117.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1074 | N | 20.9 | Very low | 23.1 | Very low | 146 Ų | 146 | 117.7 Ų | 117.7 | 78% | 0.781 | 74% | 0.738 | S | S | * | * | trans | -104.3 | 122 | -171.9 | 169.5 | 41.1 | 0 | 0 | 0 | 112.4 | ||||
| 1075 | V | 26.2 | Very low | 22.9 | Very low | 139 Ų | 139 | 118.3 Ų | 118.3 | 84% | 0.842 | 75% | 0.746 | S | S | * | * | trans | -151.1 | 144 | 151.9 | 179.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1076 | T | 21.4 | Very low | 22.9 | Very low | 120 Ų | 120 | 117.2 Ų | 117.2 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | trans | -98 | 132.8 | 178.4 | 50 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1077 | S | 24.4 | Very low | 23.2 | Very low | 121 Ų | 121 | 116.6 Ų | 116.6 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | trans | -168.7 | 145 | 148 | 54.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1078 | S | 23 | Very low | 23.1 | Very low | 98 Ų | 98 | 121.6 Ų | 121.6 | 69% | 0.685 | 76% | 0.762 | S | S | * | * | trans | -58.3 | 171.4 | -168.1 | -41.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1079 | E | 25.3 | Very low | 22.9 | Very low | 171 Ų | 171 | 124 Ų | 124 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | trans | 83.7 | 106.7 | 144 | -75.8 | 141.4 | -124.9 | 0 | 0 | 121 | ||||
| 1080 | E | 23.2 | Very low | 22.9 | Very low | 175 Ų | 175 | 119.1 Ų | 119.1 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | trans | 37.7 | 111.8 | 144.8 | -53.3 | -166.7 | 172.7 | 0 | 0 | 122 | ||||
| 1081 | M | 20 | Very low | 23.1 | Very low | 175 Ų | 175 | 122.6 Ų | 122.6 | 86% | 0.862 | 75% | 0.747 | S | S | * | * | -179.9 | 131 | 101.1 | -92.5 | -174.2 | -166.6 | 0 | 0 | 113.8 | |||||
| 1082 | S | 20.4 | Very low | 22.8 | Very low | 104 Ų | 104 | 122.6 Ų | 122.6 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | trans | 36.3 | 126.7 | 143.7 | -57.1 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 1083 | T | 20.9 | Very low | 22.7 | Very low | 131 Ų | 131 | 122.5 Ų | 122.5 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | trans | 83.1 | 121.1 | 139.6 | 58.2 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 1084 | S | 20.9 | Very low | 22.6 | Very low | 110 Ų | 110 | 122.6 Ų | 122.6 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | trans | 94.9 | 148.6 | 137.4 | 78 | 0 | 0 | 0 | 0 | 122 | ||||
| 1085 | S | 20.9 | Very low | 22.7 | Very low | 108 Ų | 108 | 125 Ų | 125 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | trans | 65.9 | 131.5 | -176.1 | 69.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1086 | S | 24.7 | Very low | 22.4 | Very low | 106 Ų | 106 | 124.1 Ų | 124.1 | 74% | 0.741 | 74% | 0.737 | S | S | * | * | cis | 78.5 | 128.2 | 21.6 | 98.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1087 | E | 24 | Very low | 22.5 | Very low | 86 Ų | 86 | 124.8 Ų | 124.8 | 40% | 0.402 | 74% | 0.741 | S | S | . | * | cis | -148.6 | 159.8 | 12.4 | -88.7 | -171.3 | 99.4 | 0 | 0 | 114.8 | T1064 E1065 | T1064-E1087 PolarHBondContact N-OE1 3.47Å; E1065-E1087 PolarHBondContact N-OE2 3Å | ||
| 1088 | W | 20.2 | Very low | 22.4 | Very low | 155 Ų | 155 | 125.2 Ų | 125.2 | 59% | 0.587 | 74% | 0.739 | S | S | * | * | trans | 61.7 | 148.2 | 144.4 | -82.4 | 61 | 0 | 0 | 0 | 124.2 | M1066 T1067 | M1066-W1088 HydrophobicContact CG-CE3 3.68Å; M1066-W1088 HydrophobicContact CG-CZ3 3.91Å; T1067-W1088 WeakPolarHBondContact CA-O 3.27Å; T1067-W1088 PolarHBondContact N-O 2.99Å | ||
| 1089 | N | 19.7 | Very low | 22.3 | Very low | 133 Ų | 133 | 126.4 Ų | 126.4 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | trans | -142.5 | 142.3 | 171.9 | -149.5 | -2 | 0 | 0 | 0 | 109.5 | T1068 | T1068-N1089 VanDerWaalsContact CG2-OD1 3.24Å; T1068-N1089 WeakPolarHBondContact CG2-OD1 3.39Å | ||
| 1090 | G | 23.5 | Very low | 22.2 | Very low | 22 Ų | 22 | 121.6 Ų | 121.6 | 23% | 0.227 | 74% | 0.743 | C | S | . | * | trans | -179.6 | 103.1 | -168.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | T1067 | T1067-G1090 VanDerWaalsContact CG2-N 3.32Š| ||
| 1091 | T | 28.9 | Very low | 22.4 | Very low | 147 Ų | 147 | 118.3 Ų | 118.3 | 90% | 0.902 | 74% | 0.74 | S | S | * | * | trans | 21.2 | 110.9 | 151.7 | 45.9 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1092 | V | 22.2 | Very low | 22.5 | Very low | 134 Ų | 134 | 119.2 Ų | 119.2 | 81% | 0.812 | 74% | 0.742 | S | S | * | * | trans | -150.5 | 139.5 | 157.6 | -171 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1093 | S | 20.4 | Very low | 22.6 | Very low | 110 Ų | 110 | 117.7 Ų | 117.7 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | cis | -163.5 | 100.6 | -41 | 58.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1094 | G | 22.6 | Very low | 22.6 | Very low | 84 Ų | 84 | 119.4 Ų | 119.4 | 87% | 0.866 | 75% | 0.747 | S | S | * | * | trans | 90.4 | 138.7 | 153.1 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1095 | E | 25 | Very low | 22.5 | Very low | 195 Ų | 195 | 122.5 Ų | 122.5 | 91% | 0.911 | 75% | 0.749 | S | S | * | * | trans | -152.6 | 125.5 | 135.1 | -137.6 | 178.9 | -164.7 | 0 | 0 | 113.9 | ||||
| 1096 | T | 18.7 | Very low | 22.6 | Very low | 121 Ų | 121 | 122.7 Ų | 122.7 | 74% | 0.742 | 75% | 0.746 | S | S | * | * | trans | -20 | 126.6 | 160.7 | -34.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 1097 | T | 23.9 | Very low | 22.5 | Very low | 135 Ų | 135 | 124.1 Ų | 124.1 | 83% | 0.828 | 75% | 0.751 | S | S | * | * | -176.4 | 150.7 | 112.8 | 24.9 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 1098 | T | 21.3 | Very low | 22.4 | Very low | 129 Ų | 129 | 126.4 Ų | 126.4 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | trans | -56.4 | 134.8 | -179.1 | 49.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1099 | S | 22.3 | Very low | 22.5 | Very low | 123 Ų | 123 | 126.6 Ų | 126.6 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | 160.3 | 142.3 | 103.6 | 56.2 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1100 | G | 23.3 | Very low | 22.7 | Very low | 70 Ų | 70 | 124 Ų | 124 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | trans | 108.7 | 105.8 | 158.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1101 | S | 25.8 | Very low | 22.6 | Very low | 107 Ų | 107 | 128.2 Ų | 128.2 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | trans | 20.9 | 115.9 | 154.1 | 53.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1102 | E | 23.2 | Very low | 22.4 | Very low | 193 Ų | 193 | 127.3 Ų | 127.3 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | 62.1 | 116.2 | 65.5 | -63.2 | -172.5 | 140.7 | 0 | 0 | 115.1 | |||||
| 1103 | G | 23.2 | Very low | 22.4 | Very low | 72 Ų | 72 | 126.2 Ų | 126.2 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | trans | 68.4 | 130.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1104 | N | 20.1 | Very low | 22.5 | Very low | 168 Ų | 168 | 125.3 Ų | 125.3 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | cis | 49.9 | 59 | 8.8 | -156.8 | 38 | 0 | 0 | 0 | 116.9 | ||||
| 1105 | E | 19.4 | Very low | 22.5 | Very low | 174 Ų | 174 | 126.1 Ų | 126.1 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | trans | -152 | 162.1 | 138.4 | -128.6 | -170.2 | 175.6 | 0 | 0 | 112.6 | ||||
| 1106 | T | 22.3 | Very low | 22.3 | Very low | 113 Ų | 113 | 122.5 Ų | 122.5 | 69% | 0.693 | 79% | 0.789 | S | S | * | * | trans | -2.2 | 134.4 | 173.2 | 59.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1107 | T | 23.2 | Very low | 22.4 | Very low | 136 Ų | 136 | 125 Ų | 125 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | trans | -150.2 | 122.6 | 130.6 | -23.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1108 | V | 21 | Very low | 22.3 | Very low | 133 Ų | 133 | 124.5 Ų | 124.5 | 81% | 0.806 | 79% | 0.794 | S | S | * | * | trans | -84.7 | 134.6 | 170.6 | 173.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1109 | N | 21.8 | Very low | 22.4 | Very low | 159 Ų | 159 | 125.1 Ų | 125.1 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | trans | -169.3 | 155.5 | 159.5 | -104.1 | -43 | 0 | 0 | 0 | 113.3 | ||||
| 1110 | G | 24.3 | Very low | 22.4 | Very low | 78 Ų | 78 | 124.5 Ų | 124.5 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | 90.8 | 84.9 | 150 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1111 | S | 22.1 | Very low | 22.5 | Very low | 112 Ų | 112 | 125.4 Ų | 125.4 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | -87.8 | 136.4 | 158 | 47.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1112 | T | 24.4 | Very low | 22.5 | Very low | 127 Ų | 127 | 128.4 Ų | 128.4 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | 170.9 | 123.5 | 124.5 | 40.2 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1113 | S | 21.5 | Very low | 22.8 | Very low | 112 Ų | 112 | 122.1 Ų | 122.1 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | 45.5 | 121.7 | 127.6 | -44.2 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 1114 | A | 22.8 | Very low | 23.2 | Very low | 90 Ų | 90 | 129.5 Ų | 129.5 | 74% | 0.744 | 79% | 0.794 | S | S | * | * | 106.5 | 139.3 | 125.6 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 1115 | S | 22.2 | Very low | 23.3 | Very low | 101 Ų | 101 | 128.5 Ų | 128.5 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | 70.7 | 110.6 | 151.7 | 47.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1116 | T | 22.3 | Very low | 23.8 | Very low | 119 Ų | 119 | 130.1 Ų | 130.1 | 73% | 0.73 | 79% | 0.792 | S | S | * | * | trans | 58.8 | 109.1 | 132.6 | 59.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 1117 | E | 21.1 | Very low | 24.3 | Very low | 175 Ų | 175 | 136.1 Ų | 136.1 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | 35.6 | 118.5 | 112.8 | -59.5 | 174.5 | 165.4 | 0 | 0 | 119.5 | |||||
| 1118 | S | 21.7 | Very low | 24.5 | Very low | 123 Ų | 123 | 139.8 Ų | 139.8 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | -179.1 | 153.9 | 106.9 | -80.7 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1119 | T | 22.2 | Very low | 24.8 | Very low | 142 Ų | 142 | 140.9 Ų | 140.9 | 87% | 0.871 | 80% | 0.803 | S | S | * | * | trans | -80.5 | 138.2 | -168.8 | 42.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1120 | S | 22.4 | Very low | 25.2 | Very low | 111 Ų | 111 | 137.2 Ų | 137.2 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | -168.3 | 124.9 | 149.2 | -152.4 | 0 | 0 | 0 | 0 | 107 | ||||
| 1121 | A | 26.8 | Very low | 25.2 | Very low | 88 Ų | 88 | 138.1 Ų | 138.1 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | 51.7 | 102.8 | 61.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 1122 | D | 25.4 | Very low | 25.4 | Very low | 171 Ų | 171 | 140.7 Ų | 140.7 | 91% | 0.914 | 81% | 0.807 | S | S | * | * | -158.6 | -172.5 | 60.4 | -145.8 | -41.9 | 0 | 0 | 0 | 112.8 | |||||
| 1123 | G | 29.7 | Very low | 25.4 | Very low | 60 Ų | 60 | 146 Ų | 146 | 62% | 0.619 | 81% | 0.814 | S | S | * | * | trans | -90.1 | -160.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1124 | R | 29.9 | Very low | 25.5 | Very low | 227 Ų | 227 | 150.5 Ų | 150.5 | 86% | 0.857 | 81% | 0.814 | S | S | * | * | cis | -165.3 | 144.7 | 1.1 | -119.9 | 177.4 | -164 | -165.6 | 5.4 | 111.9 | ||||
| 1125 | I | 24.1 | Very low | 25.6 | Very low | 147 Ų | 147 | 154 Ų | 154 | 75% | 0.754 | 82% | 0.815 | S | S | * | * | trans | 32.9 | 137.2 | 139.3 | -56 | 167.8 | 0 | 0 | 0 | 121.6 | ||||
| 1126 | F | 28.4 | Very low | 25.8 | Very low | 209 Ų | 209 | 154.2 Ų | 154.2 | 92% | 0.917 | 82% | 0.817 | S | S | * | * | trans | -147.3 | 129.7 | 151 | -96.4 | -73.6 | 0 | 0 | 0 | 113.7 | ||||
| 1127 | R | 33.5 | Very low | 26 | Very low | 239 Ų | 239 | 153.4 Ų | 153.4 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | trans | -162.7 | 132.4 | 151.7 | -106.4 | -173.5 | -170.6 | -171.3 | 4.5 | 112 | ||||
| 1128 | Y | 27 | Very low | 26.1 | Very low | 212 Ų | 212 | 152.1 Ų | 152.1 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | trans | 31.6 | 144.6 | 156.7 | -83.2 | -92.5 | 0 | 0 | 0 | 125.9 | ||||
| 1129 | D | 26.9 | Very low | 26.2 | Very low | 157 Ų | 157 | 152.9 Ų | 152.9 | 84% | 0.84 | 81% | 0.814 | S | S | * | * | trans | 65.4 | 99.8 | 163.3 | -64.1 | -25.8 | 0 | 0 | 0 | 121 | ||||
| 1130 | G | 30.2 | Very low | 26.2 | Very low | 81 Ų | 81 | 150.2 Ų | 150.2 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | -170.8 | 143.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1131 | A | 25.5 | Very low | 26.2 | Very low | 98 Ų | 98 | 150 Ų | 150 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | -80.3 | 147 | -160.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1132 | L | 25.4 | Very low | 25.9 | Very low | 166 Ų | 166 | 155 Ų | 155 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | trans | 30 | 100.8 | 145.6 | -64 | 171.6 | 0 | 0 | 0 | 120.1 | ||||
| 1133 | Y | 25.2 | Very low | 25.7 | Very low | 237 Ų | 237 | 150.6 Ų | 150.6 | 93% | 0.929 | 80% | 0.798 | S | S | * | * | -155.2 | -167.8 | 121.8 | -135.8 | -104.9 | 0 | 0 | 0 | 112.7 | |||||
| 1134 | R | 22.7 | Very low | 25.3 | Very low | 208 Ų | 208 | 154.9 Ų | 154.9 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | -128.2 | 156.4 | -156.5 | -114.3 | -176.2 | -177.9 | -175.3 | 2.1 | 115.5 | ||||
| 1135 | Q | 25.5 | Very low | 24.9 | Very low | 162 Ų | 162 | 150 Ų | 150 | 76% | 0.757 | 80% | 0.803 | S | S | * | * | trans | 89.4 | 117.9 | 149.3 | -77.5 | 172.5 | -49.9 | 0 | 0 | 122.1 | ||||
| 1136 | S | 26.7 | Very low | 24.8 | Very low | 107 Ų | 107 | 147.8 Ų | 147.8 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | 68.7 | 148.6 | 142.7 | 52 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1137 | S | 26.5 | Very low | 24.4 | Very low | 101 Ų | 101 | 143.5 Ų | 143.5 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | cis | -171.4 | 139.1 | -19.1 | -91.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1138 | N | 22.6 | Very low | 23.8 | Very low | 148 Ų | 148 | 138.1 Ų | 138.1 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | 59.3 | 136 | 148.5 | -71.1 | 4.8 | 0 | 0 | 0 | 123.5 | ||||
| 1139 | V | 23.7 | Very low | 23.5 | Very low | 140 Ų | 140 | 132.9 Ų | 132.9 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | trans | 72.2 | 146.1 | 139.5 | 164.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1140 | S | 21.8 | Very low | 23.3 | Very low | 85 Ų | 85 | 129.7 Ų | 129.7 | 59% | 0.594 | 77% | 0.769 | S | S | * | * | cis | -174.1 | 162.4 | -24.3 | -173.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1141 | T | 23.6 | Very low | 23.1 | Very low | 107 Ų | 107 | 134 Ų | 134 | 66% | 0.656 | 77% | 0.767 | S | S | * | * | trans | 26.9 | 135.8 | 148.9 | 49.7 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1142 | E | 20.2 | Very low | 22.9 | Very low | 193 Ų | 193 | 136.7 Ų | 136.7 | 90% | 0.902 | 76% | 0.763 | S | S | * | * | trans | 44.1 | 121.1 | 137.3 | -55.8 | -179.1 | 151.3 | 0 | 0 | 119.8 | ||||
| 1143 | G | 21.5 | Very low | 22.7 | Very low | 79 Ų | 79 | 134.1 Ų | 134.1 | 81% | 0.814 | 76% | 0.759 | S | S | * | * | trans | -176.7 | 99.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1144 | N | 20.4 | Very low | 22.9 | Very low | 150 Ų | 150 | 128.2 Ų | 128.2 | 80% | 0.802 | 75% | 0.75 | S | S | * | * | trans | -65 | 153.1 | 167.8 | -165 | 5 | 0 | 0 | 0 | 113.3 | ||||
| 1145 | T | 21.3 | Very low | 22.8 | Very low | 125 Ų | 125 | 124.4 Ų | 124.4 | 77% | 0.767 | 76% | 0.755 | S | S | * | * | trans | 69.6 | 155.3 | 169.9 | 77.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1146 | S | 22.1 | Very low | 22.8 | Very low | 99 Ų | 99 | 119.7 Ų | 119.7 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | cis | -164.8 | 156.7 | 22.6 | 63.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1147 | V | 20.3 | Very low | 22.7 | Very low | 119 Ų | 119 | 120.2 Ų | 120.2 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | trans | 78.2 | 118.7 | 138.2 | 160.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1148 | T | 20.4 | Very low | 22.5 | Very low | 127 Ų | 127 | 122 Ų | 122 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | trans | 57.8 | 148.1 | 157.3 | 51.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1149 | S | 20.7 | Very low | 22.6 | Very low | 102 Ų | 102 | 120 Ų | 120 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | cis | -170.2 | -164.1 | -16.3 | 57.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1150 | S | 24.1 | Very low | 22.5 | Very low | 90 Ų | 90 | 121.6 Ų | 121.6 | 63% | 0.629 | 76% | 0.76 | S | S | * | * | cis | -171.5 | 158.1 | 5 | 17.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1151 | Q | 24.5 | Very low | 22.7 | Very low | 170 Ų | 170 | 123.3 Ų | 123.3 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | 67.1 | 145.9 | 171.7 | -69 | 178.1 | -86.1 | 0 | 0 | 116.3 | ||||
| 1152 | E | 21.9 | Very low | 22.8 | Very low | 156 Ų | 156 | 124.2 Ų | 124.2 | 73% | 0.729 | 78% | 0.778 | S | S | * | * | cis | -147.7 | 170.4 | -14.3 | -143.9 | 160.5 | 123.7 | 0 | 0 | 109.8 | ||||
| 1153 | S | 22 | Very low | 23 | Very low | 112 Ų | 112 | 122.4 Ų | 122.4 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | trans | -156.4 | 152.6 | -171.5 | -46.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1154 | P | 27.5 | Very low | 23.1 | Very low | 113 Ų | 113 | 123.3 Ų | 123.3 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | trans | -138.5 | 152.1 | 145.6 | 37.4 | -23.9 | 0 | 0 | 0 | 115.2 | ||||
| 1155 | S | 22.4 | Very low | 23.4 | Very low | 128 Ų | 128 | 120.8 Ų | 120.8 | 90% | 0.895 | 76% | 0.762 | S | S | * | * | trans | 63.7 | 156.3 | 163.9 | 46.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 1156 | G | 25.4 | Very low | 23.5 | Very low | 62 Ų | 62 | 123.4 Ų | 123.4 | 64% | 0.639 | 77% | 0.765 | S | S | * | * | cis | -160 | -5.5 | 10.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1157 | S | 24 | Very low | 23.6 | Very low | 118 Ų | 118 | 125 Ų | 125 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | trans | 67.9 | 159 | 164.9 | 73.4 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1158 | V | 23.2 | Very low | 23.7 | Very low | 140 Ų | 140 | 125.4 Ų | 125.4 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | trans | 87.4 | 153.2 | 164.1 | -168.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1159 | S | 23.4 | Very low | 24 | Very low | 105 Ų | 105 | 125.4 Ų | 125.4 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | -110.9 | -174.2 | -161 | -46.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1160 | L | 22.4 | Very low | 24 | Very low | 174 Ų | 174 | 124.9 Ų | 124.9 | 91% | 0.911 | 78% | 0.78 | S | S | * | * | trans | -32.9 | 133.5 | 177.7 | -81.2 | 67.4 | 0 | 0 | 0 | 116.7 | ||||
| 1161 | S | 24.9 | Very low | 23.8 | Very low | 121 Ų | 121 | 129.2 Ų | 129.2 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | -157.2 | 173.5 | 141.5 | 52.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1162 | T | 25.5 | Very low | 23.9 | Very low | 126 Ų | 126 | 126.5 Ų | 126.5 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | -114.6 | 166.9 | -161.4 | 46.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1163 | L | 24.3 | Very low | 24 | Very low | 154 Ų | 154 | 124.3 Ų | 124.3 | 81% | 0.806 | 80% | 0.795 | S | S | * | * | trans | 84.3 | 121.9 | 157.5 | -69.8 | 157.8 | 0 | 0 | 0 | 121.2 | ||||
| 1164 | S | 25 | Very low | 24 | Very low | 98 Ų | 98 | 124.7 Ų | 124.7 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | 83.5 | 121.2 | 128.8 | -66.1 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 1165 | S | 25.6 | Very low | 23.7 | Very low | 98 Ų | 98 | 127.4 Ų | 127.4 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | 86.2 | 125.5 | 128.7 | -63.9 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 1166 | E | 24.6 | Very low | 23.5 | Very low | 180 Ų | 180 | 126.7 Ų | 126.7 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | trans | 66 | 148.9 | 146.9 | -59.5 | 170 | -159.8 | 0 | 0 | 117.5 | ||||
| 1167 | V | 23.9 | Very low | 23.4 | Very low | 132 Ų | 132 | 129.9 Ų | 129.9 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | cis | -145.7 | 157.4 | 30.3 | 169.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1168 | T | 22.5 | Very low | 23.1 | Very low | 127 Ų | 127 | 129.6 Ų | 129.6 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | trans | -84.4 | 155.4 | 175.2 | 45.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 1169 | S | 25.5 | Very low | 23.1 | Very low | 127 Ų | 127 | 129 Ų | 129 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | trans | -160 | 152.3 | 158.2 | -80.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1170 | A | 22 | Very low | 22.9 | Very low | 92 Ų | 92 | 130.6 Ų | 130.6 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | trans | -128.7 | 158.9 | -165.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1171 | M | 20.1 | Very low | 22.9 | Very low | 181 Ų | 181 | 128.6 Ų | 128.6 | 89% | 0.892 | 80% | 0.803 | S | S | * | * | trans | 47.9 | 124.1 | 151.1 | -71.7 | -179.8 | 162.7 | 0 | 0 | 121.7 | ||||
| 1172 | S | 26.2 | Very low | 22.6 | Very low | 113 Ų | 113 | 128.3 Ų | 128.3 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | -153.2 | 130.7 | 141.1 | -70.6 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1173 | S | 22.4 | Very low | 22.4 | Very low | 110 Ų | 110 | 125.8 Ų | 125.8 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | 74.7 | 134.7 | 51.6 | -57.9 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1174 | V | 22.4 | Very low | 22.3 | Very low | 119 Ų | 119 | 124.6 Ų | 124.6 | 72% | 0.721 | 80% | 0.804 | S | S | * | * | cis | -168.4 | 175.4 | -11.6 | 105.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1175 | E | 21.4 | Very low | 22.2 | Very low | 171 Ų | 171 | 123.8 Ų | 123.8 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | trans | 68.7 | 136.6 | 171.7 | -80.7 | 152.6 | -141.8 | 0 | 0 | 117 | ||||
| 1176 | S | 19.2 | Very low | 22.1 | Very low | 113 Ų | 113 | 125.6 Ų | 125.6 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | cis | 93 | 115.8 | 29.4 | -61.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1177 | S | 21.8 | Very low | 22.4 | Very low | 129 Ų | 129 | 122.5 Ų | 122.5 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | -170.9 | 145.9 | 141.9 | 26.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1178 | S | 19.2 | Very low | 22.3 | Very low | 111 Ų | 111 | 122.2 Ų | 122.2 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | trans | -86.8 | 159.3 | -177.9 | 55.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1179 | S | 23.3 | Very low | 22.2 | Very low | 129 Ų | 129 | 122.7 Ų | 122.7 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | trans | -154.8 | 142.6 | 153.6 | -80.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1180 | T | 18.9 | Very low | 22.1 | Very low | 137 Ų | 137 | 121.9 Ų | 121.9 | 84% | 0.84 | 81% | 0.808 | S | S | * | * | trans | -113.5 | 159.9 | 179.3 | 44.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1181 | V | 21.4 | Very low | 22 | Very low | 133 Ų | 133 | 124.9 Ų | 124.9 | 81% | 0.806 | 81% | 0.81 | S | S | * | * | trans | 160 | 114 | 158.7 | 149.8 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1182 | S | 19.4 | Very low | 22 | Very low | 115 Ų | 115 | 120.7 Ų | 120.7 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | 76.9 | 111.5 | 58.3 | -56.1 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 1183 | G | 21.5 | Very low | 21.8 | Very low | 72 Ų | 72 | 124.3 Ų | 124.3 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | trans | 166.4 | 72.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1184 | S | 21.4 | Very low | 21.7 | Very low | 130 Ų | 130 | 122.9 Ų | 122.9 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | trans | 13.2 | 132.9 | 147.7 | 59.9 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1185 | G | 23.9 | Very low | 21.7 | Very low | 80 Ų | 80 | 128 Ų | 128 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | -167.6 | 141.5 | 160.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1186 | L | 21.9 | Very low | 21.8 | Very low | 137 Ų | 137 | 125.7 Ų | 125.7 | 72% | 0.717 | 81% | 0.809 | S | S | * | * | trans | -129.8 | 171.2 | 172.3 | -74.5 | 160.1 | 0 | 0 | 0 | 107.8 | ||||
| 1187 | P | 32.6 | Very low | 21.8 | Very low | 115 Ų | 115 | 126.6 Ų | 126.6 | 75% | 0.747 | 81% | 0.81 | S | S | * | * | -128.1 | 158.1 | -62.4 | 37.5 | -22.6 | 0 | 0 | 0 | 111.3 | |||||
| 1188 | S | 21.4 | Very low | 22 | Very low | 125 Ų | 125 | 126.4 Ų | 126.4 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -156.8 | 145.7 | 165.2 | -126.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 1189 | T | 20.8 | Very low | 22 | Very low | 138 Ų | 138 | 127 Ų | 127 | 85% | 0.847 | 81% | 0.81 | S | S | * | * | trans | -97.3 | 110.7 | 178.2 | 48.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1190 | S | 21.9 | Very low | 22.2 | Very low | 109 Ų | 109 | 125.7 Ų | 125.7 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | trans | -169.4 | 119.9 | 149.5 | 50.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1191 | I | 20.4 | Very low | 22.4 | Very low | 155 Ų | 155 | 128 Ų | 128 | 80% | 0.795 | 81% | 0.808 | S | S | * | * | trans | -1.8 | 134.5 | 144.5 | -32.3 | 178.9 | 0 | 0 | 0 | 116.4 | ||||
| 1192 | S | 21.1 | Very low | 22.6 | Very low | 93 Ų | 93 | 126.8 Ų | 126.8 | 65% | 0.65 | 80% | 0.797 | S | S | * | * | trans | 45.9 | 118.9 | 153.8 | 61.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1193 | E | 20.4 | Very low | 23 | Very low | 189 Ų | 189 | 125.2 Ų | 125.2 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | -179 | 152.7 | 112.7 | -101.3 | 171.3 | -156.1 | 0 | 0 | 113.9 | |||||
| 1194 | A | 22 | Very low | 23.3 | Very low | 80 Ų | 80 | 127.1 Ų | 127.1 | 66% | 0.661 | 80% | 0.796 | S | S | * | * | trans | 58 | 113.2 | 151.4 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1195 | Y | 20.6 | Very low | 23.6 | Very low | 226 Ų | 226 | 128.4 Ų | 128.4 | 89% | 0.886 | 79% | 0.793 | S | S | * | * | 36 | 115.4 | 127.9 | -67 | -83.8 | 0 | 0 | 0 | 120.9 | |||||
| 1196 | S | 23.5 | Very low | 23.6 | Very low | 124 Ų | 124 | 131.8 Ų | 131.8 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | -168.3 | 146.7 | 115.3 | -80.3 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1197 | T | 20.9 | Very low | 23.7 | Very low | 132 Ų | 132 | 130.8 Ų | 130.8 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | -72.3 | 157.1 | 179.6 | 51.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 1198 | P | 24.6 | Very low | 23.4 | Very low | 124 Ų | 124 | 131.5 Ų | 131.5 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | -134.4 | 156.8 | 104.1 | 38.3 | -30.2 | 0 | 0 | 0 | 113.7 | |||||
| 1199 | S | 20.4 | Very low | 23.7 | Very low | 125 Ų | 125 | 130.4 Ų | 130.4 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | trans | -72.7 | 137.3 | -177.9 | -49.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1200 | A | 26.2 | Very low | 24 | Very low | 100 Ų | 100 | 130 Ų | 130 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | trans | -149.6 | 144.1 | 155.4 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 1201 | E | 23.7 | Very low | 24.9 | Very low | 186 Ų | 186 | 129.8 Ų | 129.8 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | trans | -93.2 | 158.5 | -173.6 | -67.5 | 147.2 | 146.5 | 0 | 0 | 111.9 | ||||
| 1202 | N | 25.3 | Very low | 26.2 | Very low | 108 Ų | 108 | 130.7 Ų | 130.7 | 58% | 0.578 | 77% | 0.771 | S | S | * | * | trans | 57.2 | 80.1 | 167.4 | -65.3 | 0.6 | 0 | 0 | 0 | 119.5 | E1339 | N1202-E1339 PolarHBondContact ND2-OE2 3.18Š| ||
| 1203 | G | 28.4 | Very low | 28.6 | Very low | 82 Ų | 82 | 126.8 Ų | 126.8 | 85% | 0.845 | 74% | 0.742 | S | S | * | * | 62.8 | 62.4 | 89.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 1204 | T | 27.9 | Very low | 31.2 | Very low | 111 Ų | 111 | 122.1 Ų | 122.1 | 68% | 0.681 | 72% | 0.724 | S | S | * | * | trans | -95.2 | 123.9 | 160.9 | 54.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1205 | N | 26.8 | Very low | 34.1 | Very low | 157 Ų | 157 | 118.4 Ų | 118.4 | 84% | 0.84 | 69% | 0.693 | S | S | * | * | trans | -55.9 | 135.5 | -177.4 | -71.7 | -23 | 0 | 0 | 0 | 113.7 | ||||
| 1206 | I | 24.6 | Very low | 36.6 | Very low | 152 Ų | 152 | 112.5 Ų | 112.5 | 78% | 0.779 | 68% | 0.68 | S | S | * | * | trans | -105.6 | 98.8 | 166.7 | -60.7 | 176.6 | 0 | 0 | 0 | 107.3 | V1208 | I1206-V1208 PolarHBondContact O-N 3.26Š| ||
| 1207 | C | 25.3 | Very low | 39.2 | Very low | 115 Ų | 115 | 110.9 Ų | 110.9 | 78% | 0.777 | 68% | 0.683 | S | S | * | * | trans | -68.2 | 119.9 | 175 | -55.3 | 0 | 0 | 0 | 0 | 109.8 | P1209 | C1207-P1209 WeakPolarHBondContact O-CD 3.28Š| ||
| 1208 | V | 25.7 | Very low | 42.1 | Very low | 131 Ų | 131 | 109.6 Ų | 109.6 | 79% | 0.794 | 66% | 0.664 | S | S | * | * | trans | -95.3 | 107.1 | 173.2 | -178.6 | 0 | 0 | 0 | 0 | 108.4 | I1206 | I1206-V1208 PolarHBondContact O-N 3.26Š| ||
| 1209 | P | 27.3 | Very low | 44.7 | Very low | 101 Ų | 101 | 111.8 Ų | 111.8 | 66% | 0.656 | 66% | 0.663 | S | S | * | * | trans | -71 | 158.7 | 177.2 | 30.4 | -35.3 | 0 | 0 | 0 | 111.5 | C1207 F1211 | C1207-P1209 WeakPolarHBondContact O-CD 3.28Å; P1209-F1211 PolarHBondContact O-N 3.05Å | ||
| 1210 | P | 28.1 | Very low | 47.9 | Very low | 129 Ų | 129 | 110.4 Ų | 110.4 | 84% | 0.838 | 65% | 0.646 | S | S | * | * | trans | -59.1 | 135.1 | 179.9 | 23.9 | -34.1 | 0 | 0 | 0 | 112.1 | E1212 | P1210-E1212 PolarHBondContact O-N 3.25Š| ||
| 1211 | F | 40.6 | Very low | 50.7 | Low | 105 Ų | 105 | 106.3 Ų | 106.3 | 46% | 0.461 | 61% | 0.613 | S | S | . | * | trans | -83.5 | 100.5 | -169.9 | -163.8 | -81.3 | 0 | 0 | 0 | 112.4 | P1209 F1213 P1225 E1227 | P1209-F1211 PolarHBondContact O-N 3.05Å; F1211-F1213 PolarHBondContact O-N 2.8Å; F1211-P1225 HydrophobicContact CD1-CB 4.18Å; F1211-P1225 HydrophobicContact CE1-CB 3.96Å; F1211-E1227 HydrophobicContact CD2-CG 4.21Å; F1211-E1227 HydrophobicContact CE2-CG 3.51Å; F1211-E1227 HydrophobicContact CZ-CG 3.94Å | ||
| 1212 | E | 48 | Very low | 53.7 | Low | 174 Ų | 174 | 98.2 Ų | 98.2 | 81% | 0.813 | 58% | 0.577 | S | S | * | * | trans | -68.1 | 108.7 | 173.5 | -170.4 | -173.5 | -176.9 | 0 | 0 | 110.9 | P1210 N1214 | P1210-E1212 PolarHBondContact O-N 3.25Å; E1212-N1214 PolarHBondContact O-N 3.5Å | ||
| 1213 | F | 71.6 | Confident | 56.5 | Low | 11 Ų | 11 | 95.2 Ų | 95.2 | 5% | 0.048 | 56% | 0.559 | C | S | . | * | trans | -78.8 | 94 | -178.6 | -174.3 | -99.7 | 0 | 0 | 0 | 111.9 | F1211 C1215 F1223 Q1224 P1225 Y1235 A1242 | F1211-F1213 PolarHBondContact O-N 2.8Å; F1213-C1215 PolarHBondContact O-N 2.8Å; F1213-F1223 HydrophobicContact CE1-CB 3.97Å; F1213-F1223 HydrophobicContact CZ-CB 3.58Å; F1213-F1223 HydrophobicContact CZ-CG 4.46Å; F1213-Q1224 WeakPolarHBondContact CE2-O 3.44Å; F1213-P1225 HydrophobicContact CD2-CB 3.86Å; F1213-P1225 HydrophobicContact CD2-CG 3.75Å; F1213-P1225 HydrophobicContact CE2-CB 4.28Å; F1213-P1225 HydrophobicContact CE2-CG 4.3Å; F1213-P1225 HydrophobicContact CG-CG 4.44Å; F1213-Y1235 HydrophobicContact CB-CD1 3.63Å; F1213-Y1235 HydrophobicContact CB-CD2 3.9Å; F1213-Y1235 HydrophobicContact CB-CE1 3.66Å; F1213-Y1235 HydrophobicContact CB-CE2 3.98Å; F1213-Y1235 HydrophobicContact CB-CG 3.74Å; F1213-Y1235 HydrophobicContact CD1-CD1 4.05Å; F1213-Y1235 HydrophobicContact CD1-CD2 4.12Å; F1213-Y1235 AromaticContact CD1-CG 3.59Å; F1213-Y1235 HydrophobicContact CD1-CG 3.59Å; F1213-Y1235 HydrophobicContact CD2-CD2 4.34Å; F1213-Y1235 HydrophobicContact CE1-CG 4.38Å; F1213-Y1235 HydrophobicContact CG-CD1 4.09Å; F1213-Y1235 AromaticContact CG-CD2 3.84Å; F1213-Y1235 HydrophobicContact CG-CD2 3.84Å; F1213-Y1235 HydrophobicContact CG-CE2 4.35Å; F1213-Y1235 AromaticContact CG-CG 3.7Å; F1213-Y1235 HydrophobicContact CG-CG 3.7Å; F1213-A1242 HydrophobicContact CD1-CB 4.1Å; F1213-A1242 WeakPolarHBondContact O-CB 3.38Å | ||
| 1214 | N | 73.2 | Confident | 58.9 | Low | 92 Ų | 92 | 92.3 Ų | 92.3 | 49% | 0.492 | 52% | 0.524 | S | S | . | . | trans | -71.7 | 111.1 | -176 | -167.9 | -17.1 | 0 | 0 | 0 | 113.1 | E1212 T1216 R1218 | E1212-N1214 PolarHBondContact O-N 3.5Å; N1214-T1216 PolarHBondContact ND2-OG1 2.87Å; N1214-T1216 VanDerWaalsContact OD1-CB 3.31Å; N1214-T1216 WeakPolarHBondContact OD1-CB 3.38Å; N1214-T1216 WeakPolarHBondContact OD1-CG2 3.25Å; N1214-T1216 PolarHBondContact OD1-N 2.94Å; N1214-T1216 PolarHBondContact OD1-OG1 2.92Å; N1214-R1218 PolarHBondContact O-NE 2.87Å | ||
| 1215 | C | 83.7 | Confident | 60.7 | Low | 2 Ų | 2 | 87.1 Ų | 87.1 | 1% | 0.014 | 49% | 0.492 | C | S | . | . | trans | -89.9 | -6.5 | 173 | -78.2 | 0 | 0 | 0 | 0 | 114.2 | F1213 G1217 R1218 C1237 G1240 A1242 | F1213-C1215 PolarHBondContact O-N 2.8Å; C1215-G1217 PolarHBondContact O-N 3.25Å; C1215-R1218 WeakPolarHBondContact O-CB 3.39Å; C1215-R1218 PolarHBondContact O-N 3.22Å; C1215-C1237 HydrophobicContact CB-CB 3.73Å; C1215-C1237 WeakPolarHBondContact CB-SG 3.33Å; C1215-C1237 WeakPolarHBondContact SG-CA 3.41Å; C1215-C1237 WeakPolarHBondContact SG-CB 3.37Å; C1215-C1237 CovalentContact SG-SG 2.03Å; C1215-C1237 PolarHBondContact SG-SG 3.42Å; C1215-G1240 VanDerWaalsContact CB-O 3.24Å; C1215-G1240 WeakPolarHBondContact CB-O 3.32Å; C1215-A1242 HydrophobicContact CB-CB 4.3Å; C1215-A1242 WeakPolarHBondContact SG-CB 3.39Å | ||
| 1216 | T | 73.8 | Confident | 62.4 | Low | 101 Ų | 101 | 83.4 Ų | 83.4 | 62% | 0.62 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | 124.1 | -179.4 | 67.4 | 0 | 0 | 0 | 0 | 111 | N1214 R1218 | N1214-T1216 PolarHBondContact ND2-OG1 2.87Å; N1214-T1216 VanDerWaalsContact OD1-CB 3.31Å; N1214-T1216 WeakPolarHBondContact OD1-CB 3.38Å; N1214-T1216 WeakPolarHBondContact OD1-CG2 3.25Å; N1214-T1216 PolarHBondContact OD1-N 2.94Å; N1214-T1216 PolarHBondContact OD1-OG1 2.92Å; T1216-R1218 VanDerWaalsContact C-N 3.33Å |
| 1217 | G | 77.8 | Confident | 64 | Low | 90 Ų | 90 | 82.4 Ų | 82.4 | 93% | 0.928 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | 4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | C1215 | C1215-G1217 PolarHBondContact O-N 3.25Š|
| 1218 | R | 81.1 | Confident | 65.7 | Low | 106 Ų | 106 | 80.7 Ų | 80.7 | 40% | 0.4 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -86.4 | 158.4 | 161.2 | -60.6 | -175.3 | -175.3 | -117 | 0.6 | 110 | N1214 C1215 T1216 F1223 | N1214-R1218 PolarHBondContact O-NE 2.87Å; C1215-R1218 WeakPolarHBondContact O-CB 3.39Å; C1215-R1218 PolarHBondContact O-N 3.22Å; T1216-R1218 VanDerWaalsContact C-N 3.33Å; R1218-F1223 HydrophobicContact CB-CE2 4.3Å; R1218-F1223 HydrophobicContact CB-CZ 4.27Å |
| 1219 | E | 80.4 | Confident | 67.5 | Low | 170 Ų | 170 | 78.3 Ų | 78.3 | 79% | 0.794 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -79.6 | 158.6 | 165.1 | -63.7 | -177.8 | 167.5 | 0 | 0 | 109.6 | F1223 | E1219-F1223 VanDerWaalsContact O-CE2 3.23Å; E1219-F1223 WeakPolarHBondContact O-CE2 3.38Å; E1219-F1223 WeakPolarHBondContact O-CZ 3.42Å |
| 1220 | D | 85.8 | Confident | 69.6 | Low | 96 Ų | 96 | 74 Ų | 74 | 51% | 0.513 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -66 | 134.3 | 178.6 | -73.4 | 4.7 | 0 | 0 | 0 | 111.1 | C1237 S1238 N1239 | D1220-C1237 WeakPolarHBondContact CA-O 3.02Å; D1220-S1238 WeakPolarHBondContact OD1-CA 3.22Å; D1220-N1239 VanDerWaalsContact CG-N 3.31Å; D1220-N1239 PolarHBondContact OD1-N 3.44Å; D1220-N1239 PolarHBondContact OD2-N 3.43Å; D1220-N1239 VanDerWaalsContact OD2-N 3.16Å |
| 1221 | G | 85.6 | Confident | 71.9 | Confident | 13 Ų | 13 | 68.5 Ų | 68.5 | 13% | 0.134 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 154.3 | 176.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | F1223 N1236 C1237 | G1221-F1223 WeakPolarHBondContact O-CD2 3.42Å; G1221-F1223 VanDerWaalsContact O-CE2 3.26Å; G1221-F1223 WeakPolarHBondContact O-CE2 3.18Å; G1221-N1236 PolarHBondContact O-OD1 3.45Å; G1221-C1237 PolarHBondContact N-O 3.28Å; G1221-C1237 PolarHBondContact O-N 3.12Å |
| 1222 | S | 86.5 | Confident | 73.8 | Confident | 17 Ų | 17 | 64.6 Ų | 64.6 | 12% | 0.119 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 131.5 | -177 | -72 | 0 | 0 | 0 | 0 | 112.2 | Y1234 N1236 F1253 Q1258 | S1222-Y1234 WeakPolarHBondContact OG-CE2 3.39Å; S1222-N1236 PolarHBondContact N-OD1 2.75Å; S1222-N1236 PolarHBondContact OG-OD1 3.21Å; S1222-F1253 VanDerWaalsContact CB-CZ 3.48Å; S1222-F1253 WeakPolarHBondContact O-CZ 3.33Å; S1222-Q1258 VanDerWaalsContact N-OE1 3.07Å; S1222-Q1258 VanDerWaalsContact O-CD 3.29Å; S1222-Q1258 WeakPolarHBondContact O-CG 3.31Å |
| 1223 | F | 84.1 | Confident | 75.4 | Confident | 44 Ų | 44 | 56.6 Ų | 56.6 | 19% | 0.193 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 163 | -174.3 | -58.3 | -88.6 | 0 | 0 | 0 | 112.1 | F1213 R1218 E1219 G1221 Y1235 C1237 | F1213-F1223 HydrophobicContact CE1-CB 3.97Å; F1213-F1223 HydrophobicContact CZ-CB 3.58Å; F1213-F1223 HydrophobicContact CZ-CG 4.46Å; R1218-F1223 HydrophobicContact CB-CE2 4.3Å; R1218-F1223 HydrophobicContact CB-CZ 4.27Å; E1219-F1223 VanDerWaalsContact O-CE2 3.23Å; E1219-F1223 WeakPolarHBondContact O-CE2 3.38Å; E1219-F1223 WeakPolarHBondContact O-CZ 3.42Å; G1221-F1223 WeakPolarHBondContact O-CD2 3.42Å; G1221-F1223 VanDerWaalsContact O-CE2 3.26Å; G1221-F1223 WeakPolarHBondContact O-CE2 3.18Å; F1223-Y1235 PolarHBondContact N-O 3.1Å; F1223-Y1235 PolarHBondContact O-N 2.93Å; F1223-C1237 HydrophobicContact CD2-CB 4.03Å; F1223-C1237 WeakPolarHBondContact CD2-SG 3.49Å; F1223-C1237 HydrophobicContact CE2-CB 3.91Å |
| 1224 | Q | 79.5 | Confident | 76 | Confident | 22 Ų | 22 | 57.9 Ų | 57.9 | 10% | 0.103 | 33% | 0.326 | C | S | . | . | trans | -114.9 | 144.5 | 176.5 | -167.2 | 166 | 9.1 | 0 | 0 | 109.8 | F1213 L1228 F1253 P1255 | F1213-Q1224 WeakPolarHBondContact CE2-O 3.44Å; Q1224-L1228 PolarHBondContact NE2-O 2.89Å; Q1224-F1253 HydrophobicContact CB-CD1 4.12Å; Q1224-F1253 HydrophobicContact CB-CE1 4.47Å; Q1224-F1253 PolarHBondContact OE1-O 2.85Å; Q1224-P1255 HydrophobicContact CB-CB 4.46Å | ||
| 1225 | P | 65.9 | Low | 76.7 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.013 | 31% | 0.309 | C | S | . | . | trans | -64.5 | 138.3 | 168.2 | -14.6 | 29.7 | 0 | 0 | 0 | 109.8 | F1211 F1213 E1227 L1228 Y1235 | F1211-P1225 HydrophobicContact CD1-CB 4.18Å; F1211-P1225 HydrophobicContact CE1-CB 3.96Å; F1213-P1225 HydrophobicContact CD2-CB 3.86Å; F1213-P1225 HydrophobicContact CD2-CG 3.75Å; F1213-P1225 HydrophobicContact CE2-CB 4.28Å; F1213-P1225 HydrophobicContact CE2-CG 4.3Å; F1213-P1225 HydrophobicContact CG-CG 4.44Å; P1225-E1227 PolarHBondContact O-N 2.93Å; P1225-L1228 HydrophobicContact CB-CB 4.08Å; P1225-L1228 HydrophobicContact CB-CD1 4.07Å; P1225-L1228 HydrophobicContact CG-CB 4.14Å; P1225-L1228 HydrophobicContact CG-CD1 3.83Å; P1225-L1228 PolarHBondContact O-N 2.96Å; P1225-L1228 VanDerWaalsContact O-N 3.07Å; P1225-Y1235 HydrophobicContact CG-CD2 3.75Å; P1225-Y1235 HydrophobicContact CG-CE2 3.49Å; P1225-Y1235 VanDerWaalsContact CG-CE2 3.49Å | ||
| 1226 | S | 61.1 | Low | 76.9 | Confident | 79 Ų | 79 | 57.5 Ų | 57.5 | 55% | 0.552 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -26.2 | -177.9 | 38.4 | 0 | 0 | 0 | 0 | 113.4 | L1229 | S1226-L1229 WeakPolarHBondContact O-CD1 3.35Å; S1226-L1229 WeakPolarHBondContact O-CG 3.34Å |
| 1227 | E | 58.4 | Low | 77.7 | Confident | 131 Ų | 131 | 52.8 Ų | 52.8 | 61% | 0.612 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -11.5 | -179.8 | -36.7 | -45.6 | 119.2 | 0 | 0 | 112.9 | F1211 P1225 | F1211-E1227 HydrophobicContact CD2-CG 4.21Å; F1211-E1227 HydrophobicContact CE2-CG 3.51Å; F1211-E1227 HydrophobicContact CZ-CG 3.94Å; P1225-E1227 PolarHBondContact O-N 2.93Å |
| 1228 | L | 60.8 | Low | 77.9 | Confident | 78 Ų | 78 | 50.7 Ų | 50.7 | 41% | 0.408 | 26% | 0.263 | S | S | . | . | trans | -110.8 | 48.1 | -174.5 | -84.1 | 157.3 | 0 | 0 | 0 | 111.4 | Q1224 P1225 S1231 | Q1224-L1228 PolarHBondContact NE2-O 2.89Å; P1225-L1228 HydrophobicContact CB-CB 4.08Å; P1225-L1228 HydrophobicContact CB-CD1 4.07Å; P1225-L1228 HydrophobicContact CG-CB 4.14Å; P1225-L1228 HydrophobicContact CG-CD1 3.83Å; P1225-L1228 PolarHBondContact O-N 2.96Å; P1225-L1228 VanDerWaalsContact O-N 3.07Å; L1228-S1231 WeakPolarHBondContact O-CB 3.33Å; L1228-S1231 PolarHBondContact O-N 2.92Å | ||
| 1229 | L | 63.7 | Low | 77.9 | Confident | 82 Ų | 82 | 52.8 Ų | 52.8 | 43% | 0.429 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 143.9 | 176.8 | -49.7 | 105.5 | 0 | 0 | 0 | 110.5 | S1226 S1231 A1272 | S1226-L1229 WeakPolarHBondContact O-CD1 3.35Å; S1226-L1229 WeakPolarHBondContact O-CG 3.34Å; L1229-S1231 PolarHBondContact O-N 2.8Å; L1229-S1231 VanDerWaalsContact O-N 3.17Å; L1229-A1272 HydrophobicContact CB-CB 3.51Å; L1229-A1272 HydrophobicContact CD1-CB 4.43Å; L1229-A1272 HydrophobicContact CD2-CB 3.8Å; L1229-A1272 HydrophobicContact CG-CB 4.1Å |
| 1230 | C | 71.1 | Confident | 77.9 | Confident | 11 Ų | 11 | 45.9 Ų | 45.9 | 7% | 0.074 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 16 | -169.9 | -58.4 | 0 | 0 | 0 | 0 | 116.9 | I1252 C1269 Y1273 | C1230-I1252 HydrophobicContact CB-CG2 4.44Å; C1230-I1252 VanDerWaalsContact O-CD1 3.3Å; C1230-I1252 WeakPolarHBondContact O-CD1 3.45Å; C1230-C1269 WeakPolarHBondContact CA-SG 3.26Å; C1230-C1269 WeakPolarHBondContact CB-SG 3.42Å; C1230-C1269 WeakPolarHBondContact SG-CA 3.37Å; C1230-C1269 WeakPolarHBondContact SG-CB 3.35Å; C1230-C1269 CovalentContact SG-SG 2.04Å; C1230-C1269 PolarHBondContact SG-SG 2.81Å; C1230-Y1273 HydrophobicContact CB-CD2 4.37Å |
| 1231 | S | 78 | Confident | 77.3 | Confident | 12 Ų | 12 | 45 Ų | 45 | 8% | 0.084 | 26% | 0.255 | C | S | . | . | trans | -65.6 | 136.6 | 171.2 | 174.9 | 0 | 0 | 0 | 0 | 112.6 | L1228 L1229 A1233 F1253 | L1228-S1231 WeakPolarHBondContact O-CB 3.33Å; L1228-S1231 PolarHBondContact O-N 2.92Å; L1229-S1231 PolarHBondContact O-N 2.8Å; L1229-S1231 VanDerWaalsContact O-N 3.17Å; S1231-A1233 WeakPolarHBondContact CB-O 3.21Å; S1231-A1233 WeakPolarHBondContact OG-CA 3.46Å; S1231-A1233 WeakPolarHBondContact OG-CB 3.41Å; S1231-A1233 PolarHBondContact OG-N 2.79Å; S1231-A1233 PolarHBondContact OG-O 2.89Å; S1231-F1253 PolarHBondContact O-N 2.94Å | ||
| 1232 | P | 80.4 | Confident | 76.9 | Confident | 23 Ų | 23 | 46 Ų | 46 | 15% | 0.149 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -72.8 | -18 | 163.9 | 31.9 | -35.1 | 0 | 0 | 0 | 111.9 | L1246 C1247 L1251 I1252 | P1232-L1246 WeakPolarHBondContact O-CA 3.47Å; P1232-C1247 HydrophobicContact CB-CB 4.48Å; P1232-C1247 WeakPolarHBondContact O-CB 3.42Å; P1232-C1247 PolarHBondContact O-N 3.22Å; P1232-L1251 WeakPolarHBondContact CB-O 3.5Å; P1232-I1252 HydrophobicContact CB-CD1 4.11Å |
| 1233 | A | 80.1 | Confident | 76.3 | Confident | 7 Ų | 7 | 48.5 Ų | 48.5 | 6% | 0.058 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 132.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S1231 L1245 L1246 | S1231-A1233 WeakPolarHBondContact CB-O 3.21Å; S1231-A1233 WeakPolarHBondContact OG-CA 3.46Å; S1231-A1233 WeakPolarHBondContact OG-CB 3.41Å; S1231-A1233 PolarHBondContact OG-N 2.79Å; S1231-A1233 PolarHBondContact OG-O 2.89Å; A1233-L1245 CarbonylContact C-O 3.59Å; A1233-L1245 VanDerWaalsContact CA-O 3.23Å; A1233-L1245 WeakPolarHBondContact CA-O 3.48Å; A1233-L1246 HydrophobicContact CB-CD2 4.22Å; A1233-L1246 HydrophobicContact CB-CG 4.01Å |
| 1234 | Y | 85.3 | Confident | 76.3 | Confident | 38 Ų | 38 | 53.4 Ų | 53.4 | 15% | 0.149 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 174.1 | 178.7 | 67.4 | -81.8 | 0 | 0 | 0 | 110.1 | S1222 R1244 L1245 F1253 | S1222-Y1234 WeakPolarHBondContact OG-CE2 3.39Å; Y1234-R1244 CarbonylContact O-C 3.54Å; Y1234-R1244 WeakPolarHBondContact O-CA 3.49Å; Y1234-L1245 HydrophobicContact CD1-CB 4.17Å; Y1234-L1245 HydrophobicContact CD2-CB 4.34Å; Y1234-L1245 HydrophobicContact CE1-CB 3.69Å; Y1234-L1245 HydrophobicContact CE2-CB 3.9Å; Y1234-L1245 HydrophobicContact CE2-CD1 3.7Å; Y1234-L1245 HydrophobicContact CE2-CG 4.4Å; Y1234-L1245 HydrophobicContact CG-CB 4.47Å; Y1234-L1245 PolarHBondContact N-O 3.1Å; Y1234-L1245 PolarHBondContact O-N 2.97Å; Y1234-L1245 VanDerWaalsContact O-O 3.13Å; Y1234-F1253 VanDerWaalsContact CB-CG 3.41Å; Y1234-F1253 HydrophobicContact CD1-CB 4.01Å; Y1234-F1253 AromaticContact CD1-CD2 3.59Å; Y1234-F1253 HydrophobicContact CD1-CD2 3.59Å; Y1234-F1253 HydrophobicContact CD1-CE2 4.36Å; Y1234-F1253 AromaticContact CD1-CG 3.99Å; Y1234-F1253 HydrophobicContact CD1-CG 3.99Å; Y1234-F1253 AromaticContact CD2-CD2 3.62Å; Y1234-F1253 HydrophobicContact CD2-CD2 3.62Å; Y1234-F1253 AromaticContact CD2-CE2 3.54Å; Y1234-F1253 HydrophobicContact CD2-CE2 3.54Å; Y1234-F1253 HydrophobicContact CD2-CG 4.28Å; Y1234-F1253 HydrophobicContact CD2-CZ 4.15Å; Y1234-F1253 HydrophobicContact CE1-CD2 4.07Å; Y1234-F1253 HydrophobicContact CE2-CD2 4.07Å; Y1234-F1253 AromaticContact CE2-CE2 3.91Å; Y1234-F1253 HydrophobicContact CE2-CE2 3.91Å; Y1234-F1253 HydrophobicContact CG-CB 4.09Å; Y1234-F1253 HydrophobicContact CG-CD1 4.36Å; Y1234-F1253 AromaticContact CG-CD2 3.34Å; Y1234-F1253 HydrophobicContact CG-CD2 3.34Å; Y1234-F1253 AromaticContact CG-CE2 3.79Å; Y1234-F1253 HydrophobicContact CG-CE2 3.79Å; Y1234-F1253 AromaticContact CG-CG 3.66Å; Y1234-F1253 HydrophobicContact CG-CG 3.66Å; Y1234-F1253 HydrophobicContact CG-CZ 4.45Å |
| 1235 | Y | 88 | Confident | 76.3 | Confident | 34 Ų | 34 | 55.3 Ų | 55.3 | 13% | 0.133 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 123.3 | -179.4 | -67.6 | -103.3 | 0 | 0 | 0 | 109.8 | F1213 F1223 P1225 A1242 T1243 R1244 | F1213-Y1235 HydrophobicContact CB-CD1 3.63Å; F1213-Y1235 HydrophobicContact CB-CD2 3.9Å; F1213-Y1235 HydrophobicContact CB-CE1 3.66Å; F1213-Y1235 HydrophobicContact CB-CE2 3.98Å; F1213-Y1235 HydrophobicContact CB-CG 3.74Å; F1213-Y1235 HydrophobicContact CD1-CD1 4.05Å; F1213-Y1235 HydrophobicContact CD1-CD2 4.12Å; F1213-Y1235 AromaticContact CD1-CG 3.59Å; F1213-Y1235 HydrophobicContact CD1-CG 3.59Å; F1213-Y1235 HydrophobicContact CD2-CD2 4.34Å; F1213-Y1235 HydrophobicContact CE1-CG 4.38Å; F1213-Y1235 HydrophobicContact CG-CD1 4.09Å; F1213-Y1235 AromaticContact CG-CD2 3.84Å; F1213-Y1235 HydrophobicContact CG-CD2 3.84Å; F1213-Y1235 HydrophobicContact CG-CE2 4.35Å; F1213-Y1235 AromaticContact CG-CG 3.7Å; F1213-Y1235 HydrophobicContact CG-CG 3.7Å; F1223-Y1235 PolarHBondContact N-O 3.1Å; F1223-Y1235 PolarHBondContact O-N 2.93Å; P1225-Y1235 HydrophobicContact CG-CD2 3.75Å; P1225-Y1235 HydrophobicContact CG-CE2 3.49Å; P1225-Y1235 VanDerWaalsContact CG-CE2 3.49Å; Y1235-A1242 HydrophobicContact CD1-CB 4.03Å; Y1235-T1243 CarbonylContact C-O 3.56Å; Y1235-T1243 WeakPolarHBondContact CA-O 3.34Å; Y1235-R1244 HydrophobicContact CD1-CB 3.91Å; Y1235-R1244 HydrophobicContact CD1-CG 4.47Å; Y1235-R1244 HydrophobicContact CE1-CB 3.64Å; Y1235-R1244 HydrophobicContact CE1-CG 4.02Å; Y1235-R1244 HydrophobicContact CE2-CG 4.29Å |
| 1236 | N | 88.1 | Confident | 77.1 | Confident | 52 Ų | 52 | 60.1 Ų | 60.1 | 28% | 0.278 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 115.1 | 169.2 | -163.4 | 48.8 | 0 | 0 | 0 | 108.8 | G1221 S1222 T1243 L1245 | G1221-N1236 PolarHBondContact O-OD1 3.45Å; S1222-N1236 PolarHBondContact N-OD1 2.75Å; S1222-N1236 PolarHBondContact OG-OD1 3.21Å; N1236-T1243 PolarHBondContact N-O 3.18Å; N1236-T1243 PolarHBondContact O-N 3.45Å; N1236-L1245 HydrophobicContact CB-CD1 3.98Å |
| 1237 | C | 89.7 | Confident | 78.1 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.007 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 127.1 | 169.3 | -63.9 | 0 | 0 | 0 | 0 | 109.3 | C1215 D1220 G1221 F1223 T1241 | C1215-C1237 HydrophobicContact CB-CB 3.73Å; C1215-C1237 WeakPolarHBondContact CB-SG 3.33Å; C1215-C1237 WeakPolarHBondContact SG-CA 3.41Å; C1215-C1237 WeakPolarHBondContact SG-CB 3.37Å; C1215-C1237 CovalentContact SG-SG 2.03Å; C1215-C1237 PolarHBondContact SG-SG 3.42Å; D1220-C1237 WeakPolarHBondContact CA-O 3.02Å; G1221-C1237 PolarHBondContact N-O 3.28Å; G1221-C1237 PolarHBondContact O-N 3.12Å; F1223-C1237 HydrophobicContact CD2-CB 4.03Å; F1223-C1237 WeakPolarHBondContact CD2-SG 3.49Å; F1223-C1237 HydrophobicContact CE2-CB 3.91Å; C1237-T1241 VanDerWaalsContact CA-O 3.32Å; C1237-T1241 WeakPolarHBondContact CA-O 3.35Å |
| 1238 | S | 83.3 | Confident | 79.3 | Confident | 46 Ų | 46 | 54.9 Ų | 54.9 | 32% | 0.322 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 124.7 | 166.1 | 64.2 | 0 | 0 | 0 | 0 | 110.7 | D1220 G1240 T1241 | D1220-S1238 WeakPolarHBondContact OD1-CA 3.22Å; S1238-G1240 PolarHBondContact O-N 2.57Å; S1238-G1240 VanDerWaalsContact O-N 3.13Å; S1238-T1241 PolarHBondContact N-O 2.85Å; S1238-T1241 PolarHBondContact O-N 2.87Å |
| 1239 | N | 80.6 | Confident | 79.6 | Confident | 150 Ų | 150 | 58.4 Ų | 58.4 | 80% | 0.802 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 29.8 | -173 | -64.4 | -86 | 0 | 0 | 0 | 114.2 | D1220 | D1220-N1239 VanDerWaalsContact CG-N 3.31Å; D1220-N1239 PolarHBondContact OD1-N 3.44Å; D1220-N1239 PolarHBondContact OD2-N 3.43Å; D1220-N1239 VanDerWaalsContact OD2-N 3.16Å |
| 1240 | G | 80.2 | Confident | 79.7 | Confident | 26 Ų | 26 | 61.4 Ų | 61.4 | 27% | 0.268 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85 | -3.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | C1215 S1238 | C1215-G1240 VanDerWaalsContact CB-O 3.24Å; C1215-G1240 WeakPolarHBondContact CB-O 3.32Å; S1238-G1240 PolarHBondContact O-N 2.57Å; S1238-G1240 VanDerWaalsContact O-N 3.13Å |
| 1241 | T | 73 | Confident | 80.2 | Confident | 76 Ų | 76 | 63.7 Ų | 63.7 | 47% | 0.466 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 144.5 | 171.1 | -54.5 | 0 | 0 | 0 | 0 | 110.6 | C1237 S1238 | C1237-T1241 VanDerWaalsContact CA-O 3.32Å; C1237-T1241 WeakPolarHBondContact CA-O 3.35Å; S1238-T1241 PolarHBondContact N-O 2.85Å; S1238-T1241 PolarHBondContact O-N 2.87Å |
| 1242 | A | 76.3 | Confident | 80.4 | Confident | 35 Ų | 35 | 63.6 Ų | 63.6 | 29% | 0.289 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 98.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | F1213 C1215 Y1235 R1244 | F1213-A1242 HydrophobicContact CD1-CB 4.1Å; F1213-A1242 WeakPolarHBondContact O-CB 3.38Å; C1215-A1242 HydrophobicContact CB-CB 4.3Å; C1215-A1242 WeakPolarHBondContact SG-CB 3.39Å; Y1235-A1242 HydrophobicContact CD1-CB 4.03Å; A1242-R1244 PolarHBondContact O-N 2.88Å |
| 1243 | T | 75.3 | Confident | 80.7 | Confident | 70 Ų | 70 | 62.5 Ų | 62.5 | 43% | 0.429 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 113.3 | 176.2 | -51.1 | 0 | 0 | 0 | 0 | 110.7 | Y1235 N1236 L1245 | Y1235-T1243 CarbonylContact C-O 3.56Å; Y1235-T1243 WeakPolarHBondContact CA-O 3.34Å; N1236-T1243 PolarHBondContact N-O 3.18Å; N1236-T1243 PolarHBondContact O-N 3.45Å; T1243-L1245 HydrophobicContact CG2-CD2 4.3Å; T1243-L1245 HydrophobicContact CG2-CG 4.47Å |
| 1244 | R | 84.3 | Confident | 80.9 | Confident | 146 Ų | 146 | 62.4 Ų | 62.4 | 55% | 0.551 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 128.7 | 173.2 | -170.9 | 176.9 | 176.3 | -104.1 | 4 | 110.6 | Y1234 Y1235 A1242 | Y1234-R1244 CarbonylContact O-C 3.54Å; Y1234-R1244 WeakPolarHBondContact O-CA 3.49Å; Y1235-R1244 HydrophobicContact CD1-CB 3.91Å; Y1235-R1244 HydrophobicContact CD1-CG 4.47Å; Y1235-R1244 HydrophobicContact CE1-CB 3.64Å; Y1235-R1244 HydrophobicContact CE1-CG 4.02Å; Y1235-R1244 HydrophobicContact CE2-CG 4.29Å; A1242-R1244 PolarHBondContact O-N 2.88Å |
| 1245 | L | 79.6 | Confident | 80.6 | Confident | 62 Ų | 62 | 62.5 Ų | 62.5 | 33% | 0.325 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 155.2 | 178.2 | -65.1 | 172.9 | 0 | 0 | 0 | 109.2 | A1233 Y1234 N1236 T1243 | A1233-L1245 CarbonylContact C-O 3.59Å; A1233-L1245 VanDerWaalsContact CA-O 3.23Å; A1233-L1245 WeakPolarHBondContact CA-O 3.48Å; Y1234-L1245 HydrophobicContact CD1-CB 4.17Å; Y1234-L1245 HydrophobicContact CD2-CB 4.34Å; Y1234-L1245 HydrophobicContact CE1-CB 3.69Å; Y1234-L1245 HydrophobicContact CE2-CB 3.9Å; Y1234-L1245 HydrophobicContact CE2-CD1 3.7Å; Y1234-L1245 HydrophobicContact CE2-CG 4.4Å; Y1234-L1245 HydrophobicContact CG-CB 4.47Å; Y1234-L1245 PolarHBondContact N-O 3.1Å; Y1234-L1245 PolarHBondContact O-N 2.97Å; Y1234-L1245 VanDerWaalsContact O-O 3.13Å; N1236-L1245 HydrophobicContact CB-CD1 3.98Å; T1243-L1245 HydrophobicContact CG2-CD2 4.3Å; T1243-L1245 HydrophobicContact CG2-CG 4.47Å |
| 1246 | L | 81.6 | Confident | 80.2 | Confident | 104 Ų | 104 | 64.5 Ų | 64.5 | 55% | 0.545 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 142.5 | 169.8 | -68.3 | 102.7 | 0 | 0 | 0 | 110.5 | P1232 A1233 | P1232-L1246 WeakPolarHBondContact O-CA 3.47Å; A1233-L1246 HydrophobicContact CB-CD2 4.22Å; A1233-L1246 HydrophobicContact CB-CG 4.01Å |
| 1247 | C | 83.2 | Confident | 80.1 | Confident | 10 Ų | 10 | 66 Ų | 66 | 7% | 0.068 | 38% | 0.38 | C | S | . | . | trans | -70.4 | 124.2 | 171.4 | -73 | 0 | 0 | 0 | 0 | 111.4 | P1232 L1251 C1260 | P1232-C1247 HydrophobicContact CB-CB 4.48Å; P1232-C1247 WeakPolarHBondContact O-CB 3.42Å; P1232-C1247 PolarHBondContact O-N 3.22Å; C1247-L1251 HydrophobicContact CB-CB 4.1Å; C1247-L1251 WeakPolarHBondContact CB-O 3.3Å; C1247-C1260 WeakPolarHBondContact CA-SG 3.37Å; C1247-C1260 HydrophobicContact CB-CB 3.69Å; C1247-C1260 WeakPolarHBondContact CB-SG 3.21Å; C1247-C1260 WeakPolarHBondContact SG-CB 3.02Å; C1247-C1260 CovalentContact SG-SG 2.03Å; C1247-C1260 PolarHBondContact SG-SG 3.29Å | ||
| 1248 | S | 82 | Confident | 80 | Confident | 89 Ų | 89 | 70.6 Ų | 70.6 | 62% | 0.622 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -62.1 | 159.7 | 174.2 | -51.1 | 0 | 0 | 0 | 0 | 112.3 | N1250 L1251 | S1248-N1250 VanDerWaalsContact C-N 3.25Å; S1248-N1250 PolarHBondContact O-N 2.95Å; S1248-L1251 WeakPolarHBondContact O-CB 3.36Å; S1248-L1251 WeakPolarHBondContact O-CG 3.43Å; S1248-L1251 PolarHBondContact O-N 3.06Å |
| 1249 | N | 68.4 | Low | 80.2 | Confident | 153 Ų | 153 | 73.1 Ų | 73.1 | 82% | 0.818 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | 56 | 33.2 | 174.2 | -58 | -12.7 | 0 | 0 | 0 | 114.7 | L1251 | N1249-L1251 PolarHBondContact O-N 2.77Š|
| 1250 | N | 64.2 | Low | 80.6 | Confident | 144 Ų | 144 | 67.3 Ų | 67.3 | 77% | 0.77 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | 57.5 | 24.1 | -179.3 | -53.3 | -27.7 | 0 | 0 | 0 | 114.5 | S1248 | S1248-N1250 VanDerWaalsContact C-N 3.25Å; S1248-N1250 PolarHBondContact O-N 2.95Å |
| 1251 | L | 83.4 | Confident | 80.9 | Confident | 59 Ų | 59 | 67.1 Ų | 67.1 | 31% | 0.309 | 38% | 0.376 | S | S | . | . | trans | -71.2 | 157.9 | 172.4 | -62.6 | 177.2 | 0 | 0 | 0 | 110.7 | P1232 C1247 S1248 N1249 C1260 T1261 | P1232-L1251 WeakPolarHBondContact CB-O 3.5Å; C1247-L1251 HydrophobicContact CB-CB 4.1Å; C1247-L1251 WeakPolarHBondContact CB-O 3.3Å; S1248-L1251 WeakPolarHBondContact O-CB 3.36Å; S1248-L1251 WeakPolarHBondContact O-CG 3.43Å; S1248-L1251 PolarHBondContact O-N 3.06Å; N1249-L1251 PolarHBondContact O-N 2.77Å; L1251-C1260 HydrophobicContact CB-CB 4.07Å; L1251-C1260 HydrophobicContact CD1-CB 4.29Å; L1251-T1261 WeakPolarHBondContact CB-O 3.45Å | ||
| 1252 | I | 82.3 | Confident | 81.2 | Confident | 10 Ų | 10 | 67.9 Ų | 67.9 | 5% | 0.051 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 141.5 | 178.1 | -59.9 | -47.4 | 0 | 0 | 0 | 109.3 | C1230 P1232 N1254 T1261 A1263 V1266 | C1230-I1252 HydrophobicContact CB-CG2 4.44Å; C1230-I1252 VanDerWaalsContact O-CD1 3.3Å; C1230-I1252 WeakPolarHBondContact O-CD1 3.45Å; P1232-I1252 HydrophobicContact CB-CD1 4.11Å; I1252-N1254 PolarHBondContact O-N 2.9Å; I1252-T1261 PolarHBondContact N-O 2.87Å; I1252-T1261 PolarHBondContact O-N 2.94Å; I1252-T1261 VanDerWaalsContact O-O 3.1Å; I1252-A1263 HydrophobicContact CB-CB 4.37Å; I1252-A1263 HydrophobicContact CG1-CB 3.74Å; I1252-V1266 HydrophobicContact CG2-CG2 4.39Å |
| 1253 | F | 85.5 | Confident | 80.9 | Confident | 1 Ų | 1 | 67.8 Ų | 67.8 | 0% | 0.004 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 131.1 | 175.6 | -176 | -98.3 | 0 | 0 | 0 | 110.8 | S1222 Q1224 S1231 Y1234 P1255 Q1258 | S1222-F1253 VanDerWaalsContact CB-CZ 3.48Å; S1222-F1253 WeakPolarHBondContact O-CZ 3.33Å; Q1224-F1253 HydrophobicContact CB-CD1 4.12Å; Q1224-F1253 HydrophobicContact CB-CE1 4.47Å; Q1224-F1253 PolarHBondContact OE1-O 2.85Å; S1231-F1253 PolarHBondContact O-N 2.94Å; Y1234-F1253 VanDerWaalsContact CB-CG 3.41Å; Y1234-F1253 HydrophobicContact CD1-CB 4.01Å; Y1234-F1253 AromaticContact CD1-CD2 3.59Å; Y1234-F1253 HydrophobicContact CD1-CD2 3.59Å; Y1234-F1253 HydrophobicContact CD1-CE2 4.36Å; Y1234-F1253 AromaticContact CD1-CG 3.99Å; Y1234-F1253 HydrophobicContact CD1-CG 3.99Å; Y1234-F1253 AromaticContact CD2-CD2 3.62Å; Y1234-F1253 HydrophobicContact CD2-CD2 3.62Å; Y1234-F1253 AromaticContact CD2-CE2 3.54Å; Y1234-F1253 HydrophobicContact CD2-CE2 3.54Å; Y1234-F1253 HydrophobicContact CD2-CG 4.28Å; Y1234-F1253 HydrophobicContact CD2-CZ 4.15Å; Y1234-F1253 HydrophobicContact CE1-CD2 4.07Å; Y1234-F1253 HydrophobicContact CE2-CD2 4.07Å; Y1234-F1253 AromaticContact CE2-CE2 3.91Å; Y1234-F1253 HydrophobicContact CE2-CE2 3.91Å; Y1234-F1253 HydrophobicContact CG-CB 4.09Å; Y1234-F1253 HydrophobicContact CG-CD1 4.36Å; Y1234-F1253 AromaticContact CG-CD2 3.34Å; Y1234-F1253 HydrophobicContact CG-CD2 3.34Å; Y1234-F1253 AromaticContact CG-CE2 3.79Å; Y1234-F1253 HydrophobicContact CG-CE2 3.79Å; Y1234-F1253 AromaticContact CG-CG 3.66Å; Y1234-F1253 HydrophobicContact CG-CG 3.66Å; Y1234-F1253 HydrophobicContact CG-CZ 4.45Å; F1253-P1255 HydrophobicContact CD1-CB 4.48Å; F1253-P1255 HydrophobicContact CE1-CB 4.13Å; F1253-P1255 WeakPolarHBondContact O-CD 3.37Å; F1253-Q1258 VanDerWaalsContact CE2-C 3.49Å; F1253-Q1258 HydrophobicContact CZ-CB 4.2Å |
| 1254 | N | 84.9 | Confident | 80.8 | Confident | 4 Ų | 4 | 68.7 Ų | 68.7 | 2% | 0.021 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 101.3 | -178.9 | -171.4 | -34 | 0 | 0 | 0 | 109.5 | I1252 S1256 T1257 Q1258 N1259 T1261 Q1265 V1266 | I1252-N1254 PolarHBondContact O-N 2.9Å; N1254-S1256 PolarHBondContact O-N 2.88Å; N1254-S1256 WeakPolarHBondContact OD1-CB 3.47Å; N1254-S1256 PolarHBondContact OD1-N 3Å; N1254-T1257 WeakPolarHBondContact CB-OG1 3.23Å; N1254-T1257 VanDerWaalsContact CG-OG1 3.27Å; N1254-T1257 CarbonylContact O-C 3.55Å; N1254-T1257 PolarHBondContact O-N 2.87Å; N1254-T1257 VanDerWaalsContact O-N 3.13Å; N1254-T1257 PolarHBondContact OD1-N 2.85Å; N1254-Q1258 VanDerWaalsContact O-CA 3.3Å; N1254-Q1258 WeakPolarHBondContact O-CA 3.47Å; N1254-Q1258 PolarHBondContact O-N 2.67Å; N1254-N1259 WeakPolarHBondContact CB-O 3.27Å; N1254-N1259 PolarHBondContact N-O 3.48Å; N1254-N1259 PolarHBondContact O-N 2.81Å; N1254-T1261 HydrophobicContact CB-CG2 4.24Å; N1254-T1261 WeakPolarHBondContact CB-OG1 3.01Å; N1254-T1261 PolarHBondContact ND2-OG1 3.48Å; N1254-Q1265 PolarHBondContact ND2-O 3.31Å; N1254-V1266 HydrophobicContact CB-CG1 4.33Å; N1254-V1266 HydrophobicContact CB-CG2 3.81Å |
| 1255 | P | 78.1 | Confident | 80.4 | Confident | 41 Ų | 41 | 67.5 Ų | 67.5 | 27% | 0.266 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -23.2 | -175.9 | 29 | -34 | 0 | 0 | 0 | 112.4 | Q1224 F1253 T1257 E1268 | Q1224-P1255 HydrophobicContact CB-CB 4.46Å; F1253-P1255 HydrophobicContact CD1-CB 4.48Å; F1253-P1255 HydrophobicContact CE1-CB 4.13Å; F1253-P1255 WeakPolarHBondContact O-CD 3.37Å; P1255-T1257 VanDerWaalsContact C-N 3.34Å; P1255-E1268 HydrophobicContact CG-CB 4.16Å; P1255-E1268 HydrophobicContact CG-CG 3.78Å |
| 1256 | S | 80.8 | Confident | 80.2 | Confident | 76 Ų | 76 | 64.6 Ų | 64.6 | 53% | 0.531 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -25.2 | 171.7 | -96.4 | 0 | 0 | 0 | 0 | 113.7 | N1254 E1268 | N1254-S1256 PolarHBondContact O-N 2.88Å; N1254-S1256 WeakPolarHBondContact OD1-CB 3.47Å; N1254-S1256 PolarHBondContact OD1-N 3Å; S1256-E1268 WeakPolarHBondContact CB-OE1 3.43Å; S1256-E1268 PolarHBondContact OG-OE1 2.85Å |
| 1257 | T | 85.8 | Confident | 79.5 | Confident | 83 Ų | 83 | 64.5 Ų | 64.5 | 51% | 0.509 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | -0.7 | 176.6 | 69.9 | 0 | 0 | 0 | 0 | 114.6 | N1254 P1255 N1259 | N1254-T1257 WeakPolarHBondContact CB-OG1 3.23Å; N1254-T1257 VanDerWaalsContact CG-OG1 3.27Å; N1254-T1257 CarbonylContact O-C 3.55Å; N1254-T1257 PolarHBondContact O-N 2.87Å; N1254-T1257 VanDerWaalsContact O-N 3.13Å; N1254-T1257 PolarHBondContact OD1-N 2.85Å; P1255-T1257 VanDerWaalsContact C-N 3.34Å; T1257-N1259 PolarHBondContact O-N 2.82Å |
| 1258 | Q | 87.4 | Confident | 78.5 | Confident | 97 Ų | 97 | 66.6 Ų | 66.6 | 45% | 0.453 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.3 | 38.4 | -169.9 | -59.5 | -165.2 | 7.5 | 0 | 0 | 114.9 | S1222 F1253 N1254 | S1222-Q1258 VanDerWaalsContact N-OE1 3.07Å; S1222-Q1258 VanDerWaalsContact O-CD 3.29Å; S1222-Q1258 WeakPolarHBondContact O-CG 3.31Å; F1253-Q1258 VanDerWaalsContact CE2-C 3.49Å; F1253-Q1258 HydrophobicContact CZ-CB 4.2Å; N1254-Q1258 VanDerWaalsContact O-CA 3.3Å; N1254-Q1258 WeakPolarHBondContact O-CA 3.47Å; N1254-Q1258 PolarHBondContact O-N 2.67Å |
| 1259 | N | 86.7 | Confident | 77.5 | Confident | 100 Ų | 100 | 62.8 Ų | 62.8 | 54% | 0.535 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 158.2 | -174.2 | -157.7 | 3.3 | 0 | 0 | 0 | 112 | N1254 T1257 T1261 | N1254-N1259 WeakPolarHBondContact CB-O 3.27Å; N1254-N1259 PolarHBondContact N-O 3.48Å; N1254-N1259 PolarHBondContact O-N 2.81Å; T1257-N1259 PolarHBondContact O-N 2.82Å; N1259-T1261 PolarHBondContact O-N 2.81Å |
| 1260 | C | 89.7 | Confident | 76.8 | Confident | 28 Ų | 28 | 60.7 Ų | 60.7 | 19% | 0.189 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 118.5 | 175.1 | -63.8 | 0 | 0 | 0 | 0 | 110.2 | C1247 L1251 | C1247-C1260 WeakPolarHBondContact CA-SG 3.37Å; C1247-C1260 HydrophobicContact CB-CB 3.69Å; C1247-C1260 WeakPolarHBondContact CB-SG 3.21Å; C1247-C1260 WeakPolarHBondContact SG-CB 3.02Å; C1247-C1260 CovalentContact SG-SG 2.03Å; C1247-C1260 PolarHBondContact SG-SG 3.29Å; L1251-C1260 HydrophobicContact CB-CB 4.07Å; L1251-C1260 HydrophobicContact CD1-CB 4.29Å |
| 1261 | T | 86.4 | Confident | 76.1 | Confident | 22 Ų | 22 | 58.5 Ų | 58.5 | 14% | 0.135 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 175.4 | 179.8 | 64.5 | 0 | 0 | 0 | 0 | 111.1 | L1251 I1252 N1254 N1259 | L1251-T1261 WeakPolarHBondContact CB-O 3.45Å; I1252-T1261 PolarHBondContact N-O 2.87Å; I1252-T1261 PolarHBondContact O-N 2.94Å; I1252-T1261 VanDerWaalsContact O-O 3.1Å; N1254-T1261 HydrophobicContact CB-CG2 4.24Å; N1254-T1261 WeakPolarHBondContact CB-OG1 3.01Å; N1254-T1261 PolarHBondContact ND2-OG1 3.48Å; N1259-T1261 PolarHBondContact O-N 2.81Å |
| 1262 | N | 79.4 | Confident | 74.6 | Confident | 92 Ų | 92 | 57.6 Ų | 57.6 | 49% | 0.492 | 34% | 0.335 | S | S | . | . | trans | -65.1 | 148 | 168.2 | -162.8 | -30.3 | 0 | 0 | 0 | 109.2 | S1264 Q1265 | N1262-S1264 PolarHBondContact O-N 2.78Å; N1262-S1264 VanDerWaalsContact O-N 3.17Å; N1262-Q1265 HydrophobicContact CB-CG 4.47Å; N1262-Q1265 WeakPolarHBondContact O-CB 3.4Å; N1262-Q1265 PolarHBondContact O-N 2.92Å | ||
| 1263 | A | 70 | Confident | 72.9 | Confident | 33 Ų | 33 | 60.3 Ų | 60.3 | 27% | 0.273 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -54.8 | -35 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I1252 Q1265 V1266 | I1252-A1263 HydrophobicContact CB-CB 4.37Å; I1252-A1263 HydrophobicContact CG1-CB 3.74Å; A1263-Q1265 PolarHBondContact O-N 2.04Å; A1263-Q1265 VanDerWaalsContact O-N 3.1Å; A1263-V1266 PolarHBondContact O-N 3.48Å |
| 1264 | S | 73.3 | Confident | 70.6 | Confident | 88 Ų | 88 | 63.2 Ų | 63.2 | 62% | 0.615 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -67.8 | 0.3 | 176 | 56 | 0 | 0 | 0 | 0 | 115.4 | N1262 | N1262-S1264 PolarHBondContact O-N 2.78Å; N1262-S1264 VanDerWaalsContact O-N 3.17Å |
| 1265 | Q | 74.9 | Confident | 68.8 | Low | 121 Ų | 121 | 64.7 Ų | 64.7 | 57% | 0.565 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -111 | 3.6 | 176.2 | -57.1 | -174.2 | -71 | 0 | 0 | 113 | N1254 N1262 A1263 | N1254-Q1265 PolarHBondContact ND2-O 3.31Å; N1262-Q1265 HydrophobicContact CB-CG 4.47Å; N1262-Q1265 WeakPolarHBondContact O-CB 3.4Å; N1262-Q1265 PolarHBondContact O-N 2.92Å; A1263-Q1265 PolarHBondContact O-N 2.04Å; A1263-Q1265 VanDerWaalsContact O-N 3.1Å |
| 1266 | V | 76.2 | Confident | 67.2 | Low | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.012 | 38% | 0.378 | C | S | . | . | trans | -107.6 | 110.9 | -177.1 | -166.5 | 0 | 0 | 0 | 0 | 109.7 | I1252 N1254 A1263 E1268 C1269 E1270 | I1252-V1266 HydrophobicContact CG2-CG2 4.39Å; N1254-V1266 HydrophobicContact CB-CG1 4.33Å; N1254-V1266 HydrophobicContact CB-CG2 3.81Å; A1263-V1266 PolarHBondContact O-N 3.48Å; V1266-E1268 HydrophobicContact CG1-CB 4.08Å; V1266-E1268 WeakPolarHBondContact CG1-OE2 3.01Å; V1266-E1268 PolarHBondContact O-N 2.82Å; V1266-C1269 HydrophobicContact CB-CB 3.93Å; V1266-C1269 HydrophobicContact CG1-CB 4.43Å; V1266-C1269 CarbonylContact O-C 3.59Å; V1266-C1269 WeakPolarHBondContact O-CA 3.47Å; V1266-C1269 VanDerWaalsContact O-CB 3.29Å; V1266-C1269 WeakPolarHBondContact O-CB 3.32Å; V1266-C1269 PolarHBondContact O-N 3Å; V1266-E1270 PolarHBondContact O-N 2.82Å | ||
| 1267 | N | 67.8 | Low | 66.2 | Low | 102 Ų | 102 | 65.7 Ų | 65.7 | 55% | 0.545 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -28.4 | -179.7 | -61 | -27.2 | 0 | 0 | 0 | 111.9 | C1269 E1270 S1271 | N1267-C1269 VanDerWaalsContact C-N 3.3Å; N1267-E1270 CarbonylContact O-C 3.54Å; N1267-E1270 PolarHBondContact O-N 3.47Å; N1267-S1271 PolarHBondContact O-N 2.88Å; N1267-S1271 PolarHBondContact O-OG 3.35Å |
| 1268 | E | 60.9 | Low | 65.3 | Low | 54 Ų | 54 | 63.5 Ų | 63.5 | 25% | 0.252 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -30.3 | 171.4 | -61 | 79.8 | -178.8 | 0 | 0 | 111.2 | P1255 S1256 V1266 S1271 A1272 | P1255-E1268 HydrophobicContact CG-CB 4.16Å; P1255-E1268 HydrophobicContact CG-CG 3.78Å; S1256-E1268 WeakPolarHBondContact CB-OE1 3.43Å; S1256-E1268 PolarHBondContact OG-OE1 2.85Å; V1266-E1268 HydrophobicContact CG1-CB 4.08Å; V1266-E1268 WeakPolarHBondContact CG1-OE2 3.01Å; V1266-E1268 PolarHBondContact O-N 2.82Å; E1268-S1271 WeakPolarHBondContact CA-OG 3.46Å; E1268-S1271 PolarHBondContact O-OG 2.97Å; E1268-A1272 VanDerWaalsContact O-CB 3.25Å; E1268-A1272 WeakPolarHBondContact O-CB 3.43Å; E1268-A1272 PolarHBondContact O-N 2.87Å |
| 1269 | C | 62.6 | Low | 64.7 | Low | 8 Ų | 8 | 59 Ų | 59 | 5% | 0.054 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -68.2 | -48.9 | 163.6 | -81.2 | 0 | 0 | 0 | 0 | 111.1 | C1230 V1266 N1267 S1271 A1272 Y1273 | C1230-C1269 WeakPolarHBondContact CA-SG 3.26Å; C1230-C1269 WeakPolarHBondContact CB-SG 3.42Å; C1230-C1269 WeakPolarHBondContact SG-CA 3.37Å; C1230-C1269 WeakPolarHBondContact SG-CB 3.35Å; C1230-C1269 CovalentContact SG-SG 2.04Å; C1230-C1269 PolarHBondContact SG-SG 2.81Å; V1266-C1269 HydrophobicContact CB-CB 3.93Å; V1266-C1269 HydrophobicContact CG1-CB 4.43Å; V1266-C1269 CarbonylContact O-C 3.59Å; V1266-C1269 WeakPolarHBondContact O-CA 3.47Å; V1266-C1269 VanDerWaalsContact O-CB 3.29Å; V1266-C1269 WeakPolarHBondContact O-CB 3.32Å; V1266-C1269 PolarHBondContact O-N 3Å; N1267-C1269 VanDerWaalsContact C-N 3.3Å; C1269-S1271 PolarHBondContact O-N 2.89Å; C1269-A1272 PolarHBondContact O-N 3.04Å; C1269-Y1273 CarbonylContact C-O 3.56Å; C1269-Y1273 CarbonylContact O-C 2.95Å; C1269-Y1273 VanDerWaalsContact O-CA 3.28Å; C1269-Y1273 WeakPolarHBondContact O-CA 3.01Å; C1269-Y1273 PolarHBondContact O-N 2.79Å |
| 1270 | E | 52.7 | Low | 63.8 | Low | 110 Ų | 110 | 59.6 Ų | 59.6 | 51% | 0.514 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.9 | -8.8 | 177.4 | -66 | -160.3 | 136.7 | 0 | 0 | 115 | V1266 N1267 N1274 | V1266-E1270 PolarHBondContact O-N 2.82Å; N1267-E1270 CarbonylContact O-C 3.54Å; N1267-E1270 PolarHBondContact O-N 3.47Å; E1270-N1274 WeakPolarHBondContact O-CA 3.38Å; E1270-N1274 WeakPolarHBondContact O-CB 3.41Å; E1270-N1274 PolarHBondContact O-N 3Å |
| 1271 | S | 50 | Low | 62.8 | Low | 97 Ų | 97 | 65.8 Ų | 65.8 | 68% | 0.678 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -113.9 | -25.1 | 175.9 | 45.3 | 0 | 0 | 0 | 0 | 114.8 | N1267 E1268 C1269 | N1267-S1271 PolarHBondContact O-N 2.88Å; N1267-S1271 PolarHBondContact O-OG 3.35Å; E1268-S1271 WeakPolarHBondContact CA-OG 3.46Å; E1268-S1271 PolarHBondContact O-OG 2.97Å; C1269-S1271 PolarHBondContact O-N 2.89Å |
| 1272 | A | 51.4 | Low | 62.2 | Low | 41 Ų | 41 | 68.6 Ų | 68.6 | 34% | 0.339 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -75.9 | -43.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1229 E1268 C1269 | L1229-A1272 HydrophobicContact CB-CB 3.51Å; L1229-A1272 HydrophobicContact CD1-CB 4.43Å; L1229-A1272 HydrophobicContact CD2-CB 3.8Å; L1229-A1272 HydrophobicContact CG-CB 4.1Å; E1268-A1272 VanDerWaalsContact O-CB 3.25Å; E1268-A1272 WeakPolarHBondContact O-CB 3.43Å; E1268-A1272 PolarHBondContact O-N 2.87Å; C1269-A1272 PolarHBondContact O-N 3.04Å |
| 1273 | Y | 46.7 | Very low | 62.3 | Low | 66 Ų | 66 | 69.4 Ų | 69.4 | 26% | 0.259 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -137.4 | 77.3 | 179.9 | -65 | -94.4 | 0 | 0 | 0 | 107 | C1230 C1269 S1275 V1278 I1289 I1299 | C1230-Y1273 HydrophobicContact CB-CD2 4.37Å; C1269-Y1273 CarbonylContact C-O 3.56Å; C1269-Y1273 CarbonylContact O-C 2.95Å; C1269-Y1273 VanDerWaalsContact O-CA 3.28Å; C1269-Y1273 WeakPolarHBondContact O-CA 3.01Å; C1269-Y1273 PolarHBondContact O-N 2.79Å; Y1273-S1275 VanDerWaalsContact C-N 3.34Å; Y1273-S1275 PolarHBondContact O-N 3.03Å; Y1273-V1278 HydrophobicContact CD1-CG1 4.29Å; Y1273-V1278 HydrophobicContact CD1-CG2 3.69Å; Y1273-V1278 HydrophobicContact CG-CG2 4.23Å; Y1273-I1289 HydrophobicContact CE1-CG2 4.5Å; Y1273-I1289 VanDerWaalsContact OH-CG2 3.22Å; Y1273-I1289 WeakPolarHBondContact OH-CG2 3.49Å; Y1273-I1299 HydrophobicContact CD1-CD1 3.99Å; Y1273-I1299 HydrophobicContact CE1-CD1 3.58Å |
| 1274 | N | 37.4 | Very low | 63 | Low | 63 Ų | 63 | 71.9 Ų | 71.9 | 34% | 0.337 | 40% | 0.4 | S | S | . | . | trans | -53.1 | 109.6 | 164 | 178.4 | -30 | 0 | 0 | 0 | 105.7 | E1270 T1276 T1277 V1278 | E1270-N1274 WeakPolarHBondContact O-CA 3.38Å; E1270-N1274 WeakPolarHBondContact O-CB 3.41Å; E1270-N1274 PolarHBondContact O-N 3Å; N1274-T1276 CarbonylContact O-C 3.58Å; N1274-T1276 PolarHBondContact O-N 2.03Å; N1274-T1276 PolarHBondContact OD1-N 2.79Å; N1274-T1276 PolarHBondContact OD1-OG1 3.22Å; N1274-T1277 HydrophobicContact CB-CG2 3.91Å; N1274-T1277 WeakPolarHBondContact CB-OG1 3.41Å; N1274-T1277 PolarHBondContact O-N 3.14Å; N1274-T1277 PolarHBondContact O-OG1 3.37Å; N1274-V1278 PolarHBondContact O-N 3.15Å | ||
| 1275 | S | 47.3 | Very low | 63.5 | Low | 34 Ų | 34 | 69.2 Ų | 69.2 | 24% | 0.238 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.5 | -25.2 | -161.6 | -174 | 0 | 0 | 0 | 0 | 110.8 | Y1273 G1304 T1305 A1306 | Y1273-S1275 VanDerWaalsContact C-N 3.34Å; Y1273-S1275 PolarHBondContact O-N 3.03Å; S1275-G1304 VanDerWaalsContact O-O 3.14Å; S1275-T1305 WeakPolarHBondContact OG-CG2 3.36Å; S1275-A1306 PolarHBondContact O-N 2.62Å; S1275-A1306 PolarHBondContact OG-N 2.8Å; S1275-A1306 PolarHBondContact OG-O 2.8Å |
| 1276 | T | 45.1 | Very low | 64.1 | Low | 68 Ų | 68 | 64.9 Ų | 64.9 | 42% | 0.417 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -74 | -50.5 | 166.4 | 74.2 | 0 | 0 | 0 | 0 | 114 | N1274 V1278 C1279 Q1280 G1304 | N1274-T1276 CarbonylContact O-C 3.58Å; N1274-T1276 PolarHBondContact O-N 2.03Å; N1274-T1276 PolarHBondContact OD1-N 2.79Å; N1274-T1276 PolarHBondContact OD1-OG1 3.22Å; T1276-V1278 VanDerWaalsContact C-N 3.3Å; T1276-V1278 PolarHBondContact O-N 3.23Å; T1276-C1279 CarbonylContact O-C 3.36Å; T1276-C1279 PolarHBondContact O-N 2.84Å; T1276-Q1280 WeakPolarHBondContact O-CA 3.17Å; T1276-Q1280 WeakPolarHBondContact O-CB 3.39Å; T1276-Q1280 WeakPolarHBondContact O-CG 3.39Å; T1276-Q1280 PolarHBondContact O-N 2.86Å; T1276-Q1280 PolarHBondContact OG1-NE2 3.46Å; T1276-G1304 WeakPolarHBondContact CA-O 3.38Å |
| 1277 | T | 57.8 | Low | 64.3 | Low | 71 Ų | 71 | 67.4 Ų | 67.4 | 44% | 0.436 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.3 | -34.1 | -173.3 | 63.9 | 0 | 0 | 0 | 0 | 114.2 | N1274 | N1274-T1277 HydrophobicContact CB-CG2 3.91Å; N1274-T1277 WeakPolarHBondContact CB-OG1 3.41Å; N1274-T1277 PolarHBondContact O-N 3.14Å; N1274-T1277 PolarHBondContact O-OG1 3.37Å |
| 1278 | V | 66.8 | Low | 64.8 | Low | 37 Ų | 37 | 63.4 Ų | 63.4 | 22% | 0.224 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.9 | -45.7 | -179.8 | 178.8 | 0 | 0 | 0 | 0 | 109.7 | Y1273 N1274 T1276 M1282 A1306 | Y1273-V1278 HydrophobicContact CD1-CG1 4.29Å; Y1273-V1278 HydrophobicContact CD1-CG2 3.69Å; Y1273-V1278 HydrophobicContact CG-CG2 4.23Å; N1274-V1278 PolarHBondContact O-N 3.15Å; T1276-V1278 VanDerWaalsContact C-N 3.3Å; T1276-V1278 PolarHBondContact O-N 3.23Å; V1278-M1282 WeakPolarHBondContact O-CG 3.02Å; V1278-A1306 HydrophobicContact CB-CB 4.32Å; V1278-A1306 HydrophobicContact CG1-CB 4.32Å |
| 1279 | C | 76.2 | Confident | 65.2 | Low | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.014 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -96.5 | 1.4 | 179.3 | -62.6 | 0 | 0 | 0 | 0 | 114.6 | T1276 N1281 M1282 C1301 A1306 | T1276-C1279 CarbonylContact O-C 3.36Å; T1276-C1279 PolarHBondContact O-N 2.84Å; C1279-N1281 PolarHBondContact O-N 3.38Å; C1279-N1281 VanDerWaalsContact O-N 3.16Å; C1279-M1282 PolarHBondContact O-N 3.48Å; C1279-M1282 VanDerWaalsContact O-N 3.15Å; C1279-M1282 VanDerWaalsContact O-O 3.09Å; C1279-C1301 VanDerWaalsContact CA-SG 3.6Å; C1279-C1301 HydrophobicContact CB-CB 3.71Å; C1279-C1301 WeakPolarHBondContact CB-SG 3.32Å; C1279-C1301 WeakPolarHBondContact SG-CA 3.24Å; C1279-C1301 WeakPolarHBondContact SG-CB 3.33Å; C1279-C1301 CovalentContact SG-SG 2.03Å; C1279-C1301 PolarHBondContact SG-SG 3.27Å; C1279-A1306 VanDerWaalsContact SG-CA 3.55Å |
| 1280 | Q | 67.6 | Low | 65.2 | Low | 113 Ų | 113 | 65.7 Ų | 65.7 | 53% | 0.528 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -27.9 | -172.5 | -110.1 | 167.4 | 41.2 | 0 | 0 | 112.5 | T1276 | T1276-Q1280 WeakPolarHBondContact O-CA 3.17Å; T1276-Q1280 WeakPolarHBondContact O-CB 3.39Å; T1276-Q1280 WeakPolarHBondContact O-CG 3.39Å; T1276-Q1280 PolarHBondContact O-N 2.86Å; T1276-Q1280 PolarHBondContact OG1-NE2 3.46Å |
| 1281 | N | 67.5 | Low | 65.5 | Low | 158 Ų | 158 | 66 Ų | 66 | 85% | 0.845 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.2 | 8.1 | 177.6 | -59.4 | -62.5 | 0 | 0 | 0 | 112.4 | C1279 | C1279-N1281 PolarHBondContact O-N 3.38Å; C1279-N1281 VanDerWaalsContact O-N 3.16Å |
| 1282 | M | 75.2 | Confident | 65.8 | Low | 81 Ų | 81 | 65.6 Ų | 65.6 | 40% | 0.399 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -101.7 | 141.3 | 174.9 | -63 | -174 | 176.4 | 0 | 0 | 109.6 | V1278 C1279 Y1287 | V1278-M1282 WeakPolarHBondContact O-CG 3.02Å; C1279-M1282 PolarHBondContact O-N 3.48Å; C1279-M1282 VanDerWaalsContact O-N 3.15Å; C1279-M1282 VanDerWaalsContact O-O 3.09Å; M1282-Y1287 HydrophobicContact CB-CE2 3.95Å; M1282-Y1287 HydrophobicContact CG-CE2 4.47Å; M1282-Y1287 HydrophobicContact SD-CD1 4.09Å; M1282-Y1287 HydrophobicContact SD-CD2 3.79Å; M1282-Y1287 HydrophobicContact SD-CE1 4.29Å; M1282-Y1287 HydrophobicContact SD-CE2 4.01Å; M1282-Y1287 HydrophobicContact SD-CG 3.84Å |
| 1283 | T | 81 | Confident | 66 | Low | 109 Ų | 109 | 66.4 Ų | 66.4 | 67% | 0.669 | 38% | 0.376 | S | S | * | . | P | Polyproline II helix | trans | -72.1 | 159.6 | 168.6 | 37.3 | 0 | 0 | 0 | 0 | 111 | G1285 Y1287 | T1283-G1285 PolarHBondContact O-N 2.72Å; T1283-Y1287 PolarHBondContact N-OH 2.87Å; T1283-Y1287 VanDerWaalsContact O-CE2 3.31Å; T1283-Y1287 WeakPolarHBondContact O-CE2 3.31Å; T1283-Y1287 PolarHBondContact O-OH 2.93Å; T1283-Y1287 PolarHBondContact OG1-OH 2.93Å; T1283-Y1287 VanDerWaalsContact OG1-OH 3.09Å |
| 1284 | D | 84.3 | Confident | 67.3 | Low | 85 Ų | 85 | 65.5 Ų | 65.5 | 46% | 0.455 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -56.7 | 128.6 | 172.2 | -74 | 25 | 0 | 0 | 0 | 110.4 | C1301 Q1302 N1303 | D1284-C1301 CarbonylContact C-O 3.42Å; D1284-C1301 VanDerWaalsContact CA-O 3.23Å; D1284-C1301 WeakPolarHBondContact CA-O 3.36Å; D1284-Q1302 WeakPolarHBondContact OD2-CA 3.5Å; D1284-Q1302 WeakPolarHBondContact OD2-CG 3.49Å; D1284-N1303 PolarHBondContact OD1-N 3Å; D1284-N1303 PolarHBondContact OD2-N 2.74Å |
| 1285 | G | 84.4 | Confident | 69.2 | Low | 31 Ų | 31 | 65.1 Ų | 65.1 | 32% | 0.32 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.3 | 174.3 | -171 | 0 | 0 | 0 | 0 | 0 | 114 | T1283 Y1287 T1300 C1301 | T1283-G1285 PolarHBondContact O-N 2.72Å; G1285-Y1287 WeakPolarHBondContact O-CD2 3.37Å; G1285-Y1287 WeakPolarHBondContact O-CE2 3.16Å; G1285-T1300 CarbonylContact O-C 3.54Å; G1285-T1300 WeakPolarHBondContact O-CA 3.27Å; G1285-C1301 PolarHBondContact N-O 3.38Å; G1285-C1301 PolarHBondContact O-N 3.34Å |
| 1286 | S | 86.3 | Confident | 70.6 | Confident | 31 Ų | 31 | 65 Ų | 65 | 22% | 0.217 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 140.8 | 174.8 | -56.1 | 0 | 0 | 0 | 0 | 111.3 | I1299 | S1286-I1299 CarbonylContact C-O 3.57Å; S1286-I1299 WeakPolarHBondContact CA-O 3.3Å |
| 1287 | Y | 82.3 | Confident | 72.3 | Confident | 55 Ų | 55 | 65.3 Ų | 65.3 | 22% | 0.216 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 144 | 179.3 | -58.5 | -86.2 | 0 | 0 | 0 | 110.4 | M1282 T1283 G1285 Y1298 I1299 C1301 | M1282-Y1287 HydrophobicContact CB-CE2 3.95Å; M1282-Y1287 HydrophobicContact CG-CE2 4.47Å; M1282-Y1287 HydrophobicContact SD-CD1 4.09Å; M1282-Y1287 HydrophobicContact SD-CD2 3.79Å; M1282-Y1287 HydrophobicContact SD-CE1 4.29Å; M1282-Y1287 HydrophobicContact SD-CE2 4.01Å; M1282-Y1287 HydrophobicContact SD-CG 3.84Å; T1283-Y1287 PolarHBondContact N-OH 2.87Å; T1283-Y1287 VanDerWaalsContact O-CE2 3.31Å; T1283-Y1287 WeakPolarHBondContact O-CE2 3.31Å; T1283-Y1287 PolarHBondContact O-OH 2.93Å; T1283-Y1287 PolarHBondContact OG1-OH 2.93Å; T1283-Y1287 VanDerWaalsContact OG1-OH 3.09Å; G1285-Y1287 WeakPolarHBondContact O-CD2 3.37Å; G1285-Y1287 WeakPolarHBondContact O-CE2 3.16Å; Y1287-Y1298 WeakPolarHBondContact O-CB 3.45Å; Y1287-I1299 PolarHBondContact N-O 3.15Å; Y1287-I1299 PolarHBondContact O-N 3.47Å; Y1287-C1301 HydrophobicContact CD2-CB 4.4Å; Y1287-C1301 HydrophobicContact CE2-CB 3.99Å |
| 1288 | A | 78.2 | Confident | 73.6 | Confident | 18 Ų | 18 | 63.9 Ų | 63.9 | 15% | 0.149 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 150.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | D1290 F1317 P1319 | A1288-D1290 VanDerWaalsContact C-N 3.3Å; A1288-F1317 HydrophobicContact CB-CD1 3.88Å; A1288-F1317 HydrophobicContact CB-CE1 4.02Å; A1288-F1317 VanDerWaalsContact N-CE1 3.33Å; A1288-P1319 HydrophobicContact CB-CB 3.92Å |
| 1289 | I | 67.5 | Low | 74.5 | Confident | 46 Ų | 46 | 62.6 Ų | 62.6 | 24% | 0.236 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -73.7 | -31.5 | 177.5 | -49.9 | -166.1 | 0 | 0 | 0 | 110.4 | Y1273 F1297 I1299 F1308 | Y1273-I1289 HydrophobicContact CE1-CG2 4.5Å; Y1273-I1289 VanDerWaalsContact OH-CG2 3.22Å; Y1273-I1289 WeakPolarHBondContact OH-CG2 3.49Å; I1289-F1297 HydrophobicContact CD1-CB 3.71Å; I1289-F1297 HydrophobicContact CG1-CB 4.47Å; I1289-I1299 HydrophobicContact CD1-CD1 4.39Å; I1289-I1299 HydrophobicContact CD1-CG1 4.21Å; I1289-I1299 HydrophobicContact CG1-CD1 4.04Å; I1289-I1299 HydrophobicContact CG1-CG1 4.04Å; I1289-I1299 HydrophobicContact CG2-CD1 4.3Å; I1289-F1308 HydrophobicContact CD1-CD2 3.54Å; I1289-F1308 HydrophobicContact CD1-CE2 3.18Å; I1289-F1308 HydrophobicContact CD1-CZ 3.91Å |
| 1290 | D | 64.5 | Low | 75 | Confident | 64 Ų | 64 | 64.1 Ų | 64.1 | 34% | 0.342 | 36% | 0.358 | S | S | . | . | trans | -144.4 | 128.4 | 169.1 | 164.2 | 21.1 | 0 | 0 | 0 | 107.2 | A1288 S1292 T1293 | A1288-D1290 VanDerWaalsContact C-N 3.3Å; D1290-S1292 VanDerWaalsContact CG-OG 3.28Å; D1290-S1292 PolarHBondContact O-N 2.65Å; D1290-S1292 WeakPolarHBondContact OD1-CB 3.42Å; D1290-S1292 PolarHBondContact OD1-N 2.99Å; D1290-S1292 PolarHBondContact OD1-OG 3.08Å; D1290-S1292 PolarHBondContact OD2-OG 3.19Å; D1290-S1292 VanDerWaalsContact OD2-OG 3.08Å; D1290-T1293 WeakPolarHBondContact CB-OG1 3.2Å; D1290-T1293 VanDerWaalsContact CG-OG1 3.25Å; D1290-T1293 VanDerWaalsContact OD2-CG2 3.23Å; D1290-T1293 WeakPolarHBondContact OD2-CG2 3.42Å; D1290-T1293 PolarHBondContact OD2-OG1 3.43Å | ||
| 1291 | N | 58.8 | Low | 75.9 | Confident | 116 Ų | 116 | 58.9 Ų | 58.9 | 62% | 0.62 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -10 | -179.2 | -82.9 | 31.8 | 0 | 0 | 0 | 113.3 | ||
| 1292 | S | 56.1 | Low | 76.5 | Confident | 89 Ų | 89 | 57.8 Ų | 57.8 | 62% | 0.622 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | -2 | -175.6 | 69.3 | 0 | 0 | 0 | 0 | 114.6 | D1290 | D1290-S1292 VanDerWaalsContact CG-OG 3.28Å; D1290-S1292 PolarHBondContact O-N 2.65Å; D1290-S1292 WeakPolarHBondContact OD1-CB 3.42Å; D1290-S1292 PolarHBondContact OD1-N 2.99Å; D1290-S1292 PolarHBondContact OD1-OG 3.08Å; D1290-S1292 PolarHBondContact OD2-OG 3.19Å; D1290-S1292 VanDerWaalsContact OD2-OG 3.08Å |
| 1293 | T | 54.7 | Low | 76.8 | Confident | 58 Ų | 58 | 60.6 Ų | 60.6 | 36% | 0.356 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -124.1 | 133.5 | -175.5 | 43.3 | 0 | 0 | 0 | 0 | 113.6 | D1290 L1295 | D1290-T1293 WeakPolarHBondContact CB-OG1 3.2Å; D1290-T1293 VanDerWaalsContact CG-OG1 3.25Å; D1290-T1293 VanDerWaalsContact OD2-CG2 3.23Å; D1290-T1293 WeakPolarHBondContact OD2-CG2 3.42Å; D1290-T1293 PolarHBondContact OD2-OG1 3.43Å; T1293-L1295 PolarHBondContact O-N 2.8Å; T1293-L1295 WeakPolarHBondContact OG1-CD1 3.49Å |
| 1294 | C | 75.4 | Confident | 76.6 | Confident | 46 Ų | 46 | 56.5 Ų | 56.5 | 31% | 0.311 | 32% | 0.32 | S | S | . | . | trans | -65.7 | 95.8 | 168.4 | -171.1 | 0 | 0 | 0 | 0 | 109.7 | Y1316 C1333 | C1294-Y1316 HydrophobicContact CB-CD1 4.39Å; C1294-Y1316 WeakPolarHBondContact O-CE1 3.02Å; C1294-Y1316 WeakPolarHBondContact SG-CD1 3.42Å; C1294-C1333 HydrophobicContact CB-CB 3.9Å; C1294-C1333 WeakPolarHBondContact CB-SG 3.33Å; C1294-C1333 WeakPolarHBondContact SG-CB 3.39Å; C1294-C1333 CovalentContact SG-SG 2.02Å; C1294-C1333 PolarHBondContact SG-SG 2.98Å | ||
| 1295 | L | 76.8 | Confident | 75.9 | Confident | 55 Ų | 55 | 55.9 Ų | 55.9 | 29% | 0.288 | 32% | 0.319 | S | S | . | . | trans | -126.3 | 144.8 | -177.4 | -66.6 | 177.8 | 0 | 0 | 0 | 113.6 | T1293 F1297 Y1316 F1317 | T1293-L1295 PolarHBondContact O-N 2.8Å; T1293-L1295 WeakPolarHBondContact OG1-CD1 3.49Å; L1295-F1297 HydrophobicContact CB-CD2 4.41Å; L1295-F1297 PolarHBondContact O-N 3.28Å; L1295-Y1316 VanDerWaalsContact C-CD1 3.43Å; L1295-F1317 PolarHBondContact O-N 3.28Å | ||
| 1296 | P | 76.9 | Confident | 75.3 | Confident | 31 Ų | 31 | 55.4 Ų | 55.4 | 20% | 0.201 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -82.1 | 20.3 | 170.4 | 36.5 | -36.8 | 0 | 0 | 0 | 112.9 | V1310 C1311 | P1296-V1310 WeakPolarHBondContact O-CA 3.24Å; P1296-V1310 WeakPolarHBondContact O-CG1 3.45Å; P1296-C1311 PolarHBondContact O-N 2.89Å |
| 1297 | F | 80.3 | Confident | 75 | Confident | 76 Ų | 76 | 56.6 Ų | 56.6 | 33% | 0.333 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 140.3 | -171.3 | -52.4 | -62.6 | 0 | 0 | 0 | 111.5 | I1289 L1295 F1308 L1309 V1310 | I1289-F1297 HydrophobicContact CD1-CB 3.71Å; I1289-F1297 HydrophobicContact CG1-CB 4.47Å; L1295-F1297 HydrophobicContact CB-CD2 4.41Å; L1295-F1297 PolarHBondContact O-N 3.28Å; F1297-F1308 HydrophobicContact CB-CE1 4.33Å; F1297-F1308 HydrophobicContact CB-CE2 4.43Å; F1297-F1308 HydrophobicContact CB-CZ 3.83Å; F1297-F1308 AromaticContact CD1-CE1 3.81Å; F1297-F1308 HydrophobicContact CD1-CE1 3.81Å; F1297-F1308 AromaticContact CD1-CZ 3.77Å; F1297-F1308 HydrophobicContact CD1-CZ 3.77Å; F1297-F1308 HydrophobicContact CG-CE1 4.31Å; F1297-F1308 AromaticContact CG-CZ 3.84Å; F1297-F1308 HydrophobicContact CG-CZ 3.84Å; F1297-L1309 WeakPolarHBondContact CA-O 3.38Å; F1297-V1310 HydrophobicContact CD1-CB 4.29Å; F1297-V1310 HydrophobicContact CD1-CG1 3.96Å; F1297-V1310 HydrophobicContact CD1-CG2 3.95Å; F1297-V1310 HydrophobicContact CE1-CB 4.45Å; F1297-V1310 HydrophobicContact CE1-CG1 3.83Å; F1297-V1310 HydrophobicContact CE1-CG2 3.98Å |
| 1298 | Y | 85.3 | Confident | 74.9 | Confident | 40 Ų | 40 | 56.9 Ų | 56.9 | 16% | 0.157 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 167.4 | 178.8 | 68.9 | -78.3 | 0 | 0 | 0 | 112 | Y1287 T1300 L1309 F1317 | Y1287-Y1298 WeakPolarHBondContact O-CB 3.45Å; Y1298-T1300 HydrophobicContact CD2-CG2 4.29Å; Y1298-T1300 HydrophobicContact CE2-CG2 3.88Å; Y1298-L1309 HydrophobicContact CD1-CB 4.03Å; Y1298-L1309 HydrophobicContact CD2-CB 4.33Å; Y1298-L1309 HydrophobicContact CD2-CD1 4.5Å; Y1298-L1309 HydrophobicContact CE1-CB 3.63Å; Y1298-L1309 HydrophobicContact CE2-CB 3.98Å; Y1298-L1309 HydrophobicContact CE2-CD1 3.66Å; Y1298-L1309 HydrophobicContact CE2-CG 4.44Å; Y1298-L1309 HydrophobicContact CG-CB 4.36Å; Y1298-L1309 PolarHBondContact N-O 2.87Å; Y1298-L1309 PolarHBondContact O-N 2.82Å; Y1298-F1317 VanDerWaalsContact CB-CD2 3.41Å; Y1298-F1317 VanDerWaalsContact CB-CG 3.44Å; Y1298-F1317 HydrophobicContact CD1-CB 4.33Å; Y1298-F1317 AromaticContact CD1-CD2 3.63Å; Y1298-F1317 HydrophobicContact CD1-CD2 3.63Å; Y1298-F1317 HydrophobicContact CD1-CE2 4.28Å; Y1298-F1317 HydrophobicContact CD1-CG 4.21Å; Y1298-F1317 AromaticContact CD2-CD2 3.81Å; Y1298-F1317 HydrophobicContact CD2-CD2 3.81Å; Y1298-F1317 AromaticContact CD2-CE2 3.59Å; Y1298-F1317 HydrophobicContact CD2-CE2 3.59Å; Y1298-F1317 HydrophobicContact CD2-CZ 4.33Å; Y1298-F1317 HydrophobicContact CE1-CD2 4.28Å; Y1298-F1317 HydrophobicContact CE2-CD2 4.42Å; Y1298-F1317 HydrophobicContact CE2-CE2 4.18Å; Y1298-F1317 HydrophobicContact CG-CB 4.46Å; Y1298-F1317 AromaticContact CG-CD2 3.36Å; Y1298-F1317 HydrophobicContact CG-CD2 3.36Å; Y1298-F1317 AromaticContact CG-CE2 3.65Å; Y1298-F1317 HydrophobicContact CG-CE2 3.65Å; Y1298-F1317 AromaticContact CG-CG 3.93Å; Y1298-F1317 HydrophobicContact CG-CG 3.93Å; Y1298-F1317 HydrophobicContact CG-CZ 4.42Å |
| 1299 | I | 85.7 | Confident | 74.8 | Confident | 10 Ų | 10 | 58.8 Ų | 58.8 | 5% | 0.051 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 134.4 | 175.4 | -71 | 159.8 | 0 | 0 | 0 | 108.6 | Y1273 S1286 Y1287 I1289 A1306 S1307 | Y1273-I1299 HydrophobicContact CD1-CD1 3.99Å; Y1273-I1299 HydrophobicContact CE1-CD1 3.58Å; S1286-I1299 CarbonylContact C-O 3.57Å; S1286-I1299 WeakPolarHBondContact CA-O 3.3Å; Y1287-I1299 PolarHBondContact N-O 3.15Å; Y1287-I1299 PolarHBondContact O-N 3.47Å; I1289-I1299 HydrophobicContact CD1-CD1 4.39Å; I1289-I1299 HydrophobicContact CD1-CG1 4.21Å; I1289-I1299 HydrophobicContact CG1-CD1 4.04Å; I1289-I1299 HydrophobicContact CG1-CG1 4.04Å; I1289-I1299 HydrophobicContact CG2-CD1 4.3Å; I1299-A1306 HydrophobicContact CG2-CB 3.9Å; I1299-S1307 CarbonylContact C-O 3.58Å; I1299-S1307 WeakPolarHBondContact CA-O 3.11Å |
| 1300 | T | 85.7 | Confident | 75.4 | Confident | 34 Ų | 34 | 59.9 Ų | 59.9 | 21% | 0.209 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 128.6 | 162.7 | 41.8 | 0 | 0 | 0 | 0 | 109.9 | G1285 Y1298 A1306 S1307 L1309 | G1285-T1300 CarbonylContact O-C 3.54Å; G1285-T1300 WeakPolarHBondContact O-CA 3.27Å; Y1298-T1300 HydrophobicContact CD2-CG2 4.29Å; Y1298-T1300 HydrophobicContact CE2-CG2 3.88Å; T1300-A1306 CarbonylContact O-C 3.56Å; T1300-S1307 PolarHBondContact N-O 3.4Å; T1300-S1307 PolarHBondContact O-N 3.5Å; T1300-S1307 PolarHBondContact OG1-O 3.43Å; T1300-L1309 HydrophobicContact CG2-CD1 3.78Å; T1300-L1309 WeakPolarHBondContact OG1-CD1 3.35Å |
| 1301 | C | 86.4 | Confident | 76.2 | Confident | 4 Ų | 4 | 57.3 Ų | 57.3 | 3% | 0.027 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 130.8 | 165 | -69.5 | 0 | 0 | 0 | 0 | 109.2 | C1279 D1284 G1285 Y1287 T1305 | C1279-C1301 VanDerWaalsContact CA-SG 3.6Å; C1279-C1301 HydrophobicContact CB-CB 3.71Å; C1279-C1301 WeakPolarHBondContact CB-SG 3.32Å; C1279-C1301 WeakPolarHBondContact SG-CA 3.24Å; C1279-C1301 WeakPolarHBondContact SG-CB 3.33Å; C1279-C1301 CovalentContact SG-SG 2.03Å; C1279-C1301 PolarHBondContact SG-SG 3.27Å; D1284-C1301 CarbonylContact C-O 3.42Å; D1284-C1301 VanDerWaalsContact CA-O 3.23Å; D1284-C1301 WeakPolarHBondContact CA-O 3.36Å; G1285-C1301 PolarHBondContact N-O 3.38Å; G1285-C1301 PolarHBondContact O-N 3.34Å; Y1287-C1301 HydrophobicContact CD2-CB 4.4Å; Y1287-C1301 HydrophobicContact CE2-CB 3.99Å; C1301-T1305 WeakPolarHBondContact CA-O 3.35Å |
| 1302 | Q | 81.2 | Confident | 77 | Confident | 134 Ų | 134 | 60.2 Ų | 60.2 | 63% | 0.626 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 124.4 | 168.5 | -161.3 | -178.6 | 29 | 0 | 0 | 110.6 | D1284 G1304 T1305 | D1284-Q1302 WeakPolarHBondContact OD2-CA 3.5Å; D1284-Q1302 WeakPolarHBondContact OD2-CG 3.49Å; Q1302-G1304 PolarHBondContact O-N 3.44Å; Q1302-G1304 VanDerWaalsContact O-N 3.17Å; Q1302-T1305 PolarHBondContact N-O 3.48Å; Q1302-T1305 VanDerWaalsContact O-CB 3.29Å; Q1302-T1305 WeakPolarHBondContact O-CB 3.39Å; Q1302-T1305 PolarHBondContact O-N 2.91Å; Q1302-T1305 PolarHBondContact O-OG1 2.03Å |
| 1303 | N | 80.8 | Confident | 77.5 | Confident | 141 Ų | 141 | 66.5 Ų | 66.5 | 75% | 0.754 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.4 | 40.8 | -171.8 | -68.4 | -92.9 | 0 | 0 | 0 | 113.3 | D1284 T1305 | D1284-N1303 PolarHBondContact OD1-N 3Å; D1284-N1303 PolarHBondContact OD2-N 2.74Å; N1303-T1305 VanDerWaalsContact C-N 3.32Å; N1303-T1305 PolarHBondContact O-N 2.81Å |
| 1304 | G | 76.4 | Confident | 77.8 | Confident | 22 Ų | 22 | 70.6 Ų | 70.6 | 23% | 0.227 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 17.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | S1275 T1276 Q1302 | S1275-G1304 VanDerWaalsContact O-O 3.14Å; T1276-G1304 WeakPolarHBondContact CA-O 3.38Å; Q1302-G1304 PolarHBondContact O-N 3.44Å; Q1302-G1304 VanDerWaalsContact O-N 3.17Å |
| 1305 | T | 70.8 | Confident | 77.9 | Confident | 73 Ų | 73 | 69.9 Ų | 69.9 | 45% | 0.448 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 126.4 | 174.5 | -50.8 | 0 | 0 | 0 | 0 | 110 | S1275 C1301 Q1302 N1303 | S1275-T1305 WeakPolarHBondContact OG-CG2 3.36Å; C1301-T1305 WeakPolarHBondContact CA-O 3.35Å; Q1302-T1305 PolarHBondContact N-O 3.48Å; Q1302-T1305 VanDerWaalsContact O-CB 3.29Å; Q1302-T1305 WeakPolarHBondContact O-CB 3.39Å; Q1302-T1305 PolarHBondContact O-N 2.91Å; Q1302-T1305 PolarHBondContact O-OG1 2.03Å; N1303-T1305 VanDerWaalsContact C-N 3.32Å; N1303-T1305 PolarHBondContact O-N 2.81Å |
| 1306 | A | 72.2 | Confident | 78.4 | Confident | 20 Ų | 20 | 70.9 Ų | 70.9 | 17% | 0.165 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 131.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S1275 V1278 C1279 I1299 T1300 | S1275-A1306 PolarHBondContact O-N 2.62Å; S1275-A1306 PolarHBondContact OG-N 2.8Å; S1275-A1306 PolarHBondContact OG-O 2.8Å; V1278-A1306 HydrophobicContact CB-CB 4.32Å; V1278-A1306 HydrophobicContact CG1-CB 4.32Å; C1279-A1306 VanDerWaalsContact SG-CA 3.55Å; I1299-A1306 HydrophobicContact CG2-CB 3.9Å; T1300-A1306 CarbonylContact O-C 3.56Å |
| 1307 | S | 79.8 | Confident | 78.7 | Confident | 56 Ų | 56 | 69.7 Ų | 69.7 | 39% | 0.392 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 116.3 | 172.9 | -59.8 | 0 | 0 | 0 | 0 | 110.9 | I1299 T1300 | I1299-S1307 CarbonylContact C-O 3.58Å; I1299-S1307 WeakPolarHBondContact CA-O 3.11Å; T1300-S1307 PolarHBondContact N-O 3.4Å; T1300-S1307 PolarHBondContact O-N 3.5Å; T1300-S1307 PolarHBondContact OG1-O 3.43Å |
| 1308 | F | 78.7 | Confident | 78.9 | Confident | 61 Ų | 61 | 67.1 Ų | 67.1 | 27% | 0.268 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 134.3 | 176.9 | -174.6 | -73.7 | 0 | 0 | 0 | 110.6 | I1289 F1297 V1310 | I1289-F1308 HydrophobicContact CD1-CD2 3.54Å; I1289-F1308 HydrophobicContact CD1-CE2 3.18Å; I1289-F1308 HydrophobicContact CD1-CZ 3.91Å; F1297-F1308 HydrophobicContact CB-CE1 4.33Å; F1297-F1308 HydrophobicContact CB-CE2 4.43Å; F1297-F1308 HydrophobicContact CB-CZ 3.83Å; F1297-F1308 AromaticContact CD1-CE1 3.81Å; F1297-F1308 HydrophobicContact CD1-CE1 3.81Å; F1297-F1308 AromaticContact CD1-CZ 3.77Å; F1297-F1308 HydrophobicContact CD1-CZ 3.77Å; F1297-F1308 HydrophobicContact CG-CE1 4.31Å; F1297-F1308 AromaticContact CG-CZ 3.84Å; F1297-F1308 HydrophobicContact CG-CZ 3.84Å; F1308-V1310 HydrophobicContact CE1-CG2 4.34Å |
| 1309 | L | 77.7 | Confident | 78.5 | Confident | 59 Ų | 59 | 66.6 Ų | 66.6 | 31% | 0.309 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 147.8 | -178.5 | -67.4 | 174.3 | 0 | 0 | 0 | 111.4 | F1297 Y1298 T1300 | F1297-L1309 WeakPolarHBondContact CA-O 3.38Å; Y1298-L1309 HydrophobicContact CD1-CB 4.03Å; Y1298-L1309 HydrophobicContact CD2-CB 4.33Å; Y1298-L1309 HydrophobicContact CD2-CD1 4.5Å; Y1298-L1309 HydrophobicContact CE1-CB 3.63Å; Y1298-L1309 HydrophobicContact CE2-CB 3.98Å; Y1298-L1309 HydrophobicContact CE2-CD1 3.66Å; Y1298-L1309 HydrophobicContact CE2-CG 4.44Å; Y1298-L1309 HydrophobicContact CG-CB 4.36Å; Y1298-L1309 PolarHBondContact N-O 2.87Å; Y1298-L1309 PolarHBondContact O-N 2.82Å; T1300-L1309 HydrophobicContact CG2-CD1 3.78Å; T1300-L1309 WeakPolarHBondContact OG1-CD1 3.35Å |
| 1310 | V | 79.8 | Confident | 78.1 | Confident | 69 Ų | 69 | 71.6 Ų | 71.6 | 42% | 0.418 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 139 | 171.6 | -166.1 | 0 | 0 | 0 | 0 | 108.7 | P1296 F1297 F1308 | P1296-V1310 WeakPolarHBondContact O-CA 3.24Å; P1296-V1310 WeakPolarHBondContact O-CG1 3.45Å; F1297-V1310 HydrophobicContact CD1-CB 4.29Å; F1297-V1310 HydrophobicContact CD1-CG1 3.96Å; F1297-V1310 HydrophobicContact CD1-CG2 3.95Å; F1297-V1310 HydrophobicContact CE1-CB 4.45Å; F1297-V1310 HydrophobicContact CE1-CG1 3.83Å; F1297-V1310 HydrophobicContact CE1-CG2 3.98Å; F1308-V1310 HydrophobicContact CE1-CG2 4.34Å |
| 1311 | C | 80.7 | Confident | 78 | Confident | 10 Ų | 10 | 72.3 Ų | 72.3 | 7% | 0.068 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 134.9 | 171.6 | -80.1 | 0 | 0 | 0 | 0 | 111.7 | P1296 L1315 C1324 | P1296-C1311 PolarHBondContact O-N 2.89Å; C1311-L1315 HydrophobicContact CB-CB 4.33Å; C1311-L1315 WeakPolarHBondContact CB-O 3.3Å; C1311-C1324 WeakPolarHBondContact CA-SG 2.98Å; C1311-C1324 HydrophobicContact CB-CB 3.67Å; C1311-C1324 WeakPolarHBondContact CB-SG 3.32Å; C1311-C1324 WeakPolarHBondContact SG-CB 3.34Å; C1311-C1324 CovalentContact SG-SG 2.04Å; C1311-C1324 PolarHBondContact SG-SG 2.95Å |
| 1312 | K | 76.5 | Confident | 78 | Confident | 176 Ų | 176 | 76.3 Ų | 76.3 | 77% | 0.765 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -77.6 | 157.9 | 178.5 | -63.3 | -178.1 | -179.2 | 178.6 | 0 | 110.2 | K1314 L1315 | K1312-K1314 PolarHBondContact O-N 3.37Å; K1312-L1315 WeakPolarHBondContact O-CB 3.36Å; K1312-L1315 WeakPolarHBondContact O-CG 3.22Å; K1312-L1315 PolarHBondContact O-N 3.12Å |
| 1313 | R | 66 | Low | 78.3 | Confident | 221 Ų | 221 | 74.6 Ų | 74.6 | 83% | 0.834 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | 57.3 | 36.6 | 175.9 | -62.8 | -179.9 | 168.8 | 164.9 | -5.8 | 115.4 | L1315 | R1313-L1315 HydrophobicContact CB-CG 4.43Å; R1313-L1315 PolarHBondContact O-N 3.2Å; R1313-L1315 VanDerWaalsContact O-N 3.1Å |
| 1314 | K | 60.2 | Low | 78.6 | Confident | 144 Ų | 144 | 68.8 Ų | 68.8 | 63% | 0.626 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | 59.1 | 13.5 | -178 | -58.5 | -173.4 | 178.5 | -175.3 | 0 | 115.4 | K1312 | K1312-K1314 PolarHBondContact O-N 3.37Š|
| 1315 | L | 78.5 | Confident | 79.1 | Confident | 32 Ų | 32 | 69.4 Ų | 69.4 | 17% | 0.168 | 36% | 0.362 | C | S | . | . | trans | -69.3 | 159.8 | 175.9 | -61 | 174.7 | 0 | 0 | 0 | 111.3 | C1311 K1312 R1313 C1324 T1325 W1326 | C1311-L1315 HydrophobicContact CB-CB 4.33Å; C1311-L1315 WeakPolarHBondContact CB-O 3.3Å; K1312-L1315 WeakPolarHBondContact O-CB 3.36Å; K1312-L1315 WeakPolarHBondContact O-CG 3.22Å; K1312-L1315 PolarHBondContact O-N 3.12Å; R1313-L1315 HydrophobicContact CB-CG 4.43Å; R1313-L1315 PolarHBondContact O-N 3.2Å; R1313-L1315 VanDerWaalsContact O-N 3.1Å; L1315-C1324 HydrophobicContact CB-CB 3.86Å; L1315-C1324 HydrophobicContact CD1-CB 4.2Å; L1315-T1325 WeakPolarHBondContact CA-O 3.32Å; L1315-T1325 WeakPolarHBondContact CB-O 3.28Å; L1315-W1326 HydrophobicContact CD2-CD2 3.73Å; L1315-W1326 HydrophobicContact CD2-CE3 4Å; L1315-W1326 HydrophobicContact CD2-CG 4.15Å; L1315-W1326 HydrophobicContact CD2-CH2 4.41Å; L1315-W1326 HydrophobicContact CD2-CZ2 4.18Å; L1315-W1326 HydrophobicContact CD2-CZ3 4.32Å | ||
| 1316 | Y | 86.1 | Confident | 79.2 | Confident | 76 Ų | 76 | 73.8 Ų | 73.8 | 30% | 0.298 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 148.1 | 178.2 | -79.5 | -109.1 | 0 | 0 | 0 | 110.2 | C1294 L1295 D1318 C1324 T1325 P1327 | C1294-Y1316 HydrophobicContact CB-CD1 4.39Å; C1294-Y1316 WeakPolarHBondContact O-CE1 3.02Å; C1294-Y1316 WeakPolarHBondContact SG-CD1 3.42Å; L1295-Y1316 VanDerWaalsContact C-CD1 3.43Å; Y1316-D1318 PolarHBondContact O-N 2.98Å; Y1316-C1324 CarbonylContact O-C 3.58Å; Y1316-C1324 VanDerWaalsContact O-CA 3.28Å; Y1316-C1324 WeakPolarHBondContact O-CA 2.97Å; Y1316-T1325 PolarHBondContact N-O 3.31Å; Y1316-T1325 PolarHBondContact O-N 3.49Å; Y1316-P1327 HydrophobicContact CD2-CG 3.71Å; Y1316-P1327 HydrophobicContact CE2-CG 4.05Å; Y1316-P1327 HydrophobicContact CG-CG 4.28Å |
| 1317 | F | 84.1 | Confident | 78.8 | Confident | 6 Ų | 6 | 74.2 Ų | 74.2 | 3% | 0.026 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 119.3 | -179.6 | -175.4 | -94.2 | 0 | 0 | 0 | 110.6 | A1288 L1295 Y1298 P1319 L1322 | A1288-F1317 HydrophobicContact CB-CD1 3.88Å; A1288-F1317 HydrophobicContact CB-CE1 4.02Å; A1288-F1317 VanDerWaalsContact N-CE1 3.33Å; L1295-F1317 PolarHBondContact O-N 3.28Å; Y1298-F1317 VanDerWaalsContact CB-CD2 3.41Å; Y1298-F1317 VanDerWaalsContact CB-CG 3.44Å; Y1298-F1317 HydrophobicContact CD1-CB 4.33Å; Y1298-F1317 AromaticContact CD1-CD2 3.63Å; Y1298-F1317 HydrophobicContact CD1-CD2 3.63Å; Y1298-F1317 HydrophobicContact CD1-CE2 4.28Å; Y1298-F1317 HydrophobicContact CD1-CG 4.21Å; Y1298-F1317 AromaticContact CD2-CD2 3.81Å; Y1298-F1317 HydrophobicContact CD2-CD2 3.81Å; Y1298-F1317 AromaticContact CD2-CE2 3.59Å; Y1298-F1317 HydrophobicContact CD2-CE2 3.59Å; Y1298-F1317 HydrophobicContact CD2-CZ 4.33Å; Y1298-F1317 HydrophobicContact CE1-CD2 4.28Å; Y1298-F1317 HydrophobicContact CE2-CD2 4.42Å; Y1298-F1317 HydrophobicContact CE2-CE2 4.18Å; Y1298-F1317 HydrophobicContact CG-CB 4.46Å; Y1298-F1317 AromaticContact CG-CD2 3.36Å; Y1298-F1317 HydrophobicContact CG-CD2 3.36Å; Y1298-F1317 AromaticContact CG-CE2 3.65Å; Y1298-F1317 HydrophobicContact CG-CE2 3.65Å; Y1298-F1317 AromaticContact CG-CG 3.93Å; Y1298-F1317 HydrophobicContact CG-CG 3.93Å; Y1298-F1317 HydrophobicContact CG-CZ 4.42Å; F1317-P1319 WeakPolarHBondContact O-CD 3.47Å; F1317-L1322 VanDerWaalsContact CE2-C 3.42Å; F1317-L1322 WeakPolarHBondContact CE2-O 3.38Å; F1317-L1322 HydrophobicContact CZ-CB 4.29Å; F1317-L1322 HydrophobicContact CZ-CD2 4.42Å |
| 1318 | D | 85.3 | Confident | 78.3 | Confident | 21 Ų | 21 | 78.2 Ų | 78.2 | 11% | 0.112 | 38% | 0.384 | C | S | . | . | trans | -78.5 | 114.9 | 174.1 | -177.5 | 2.3 | 0 | 0 | 0 | 110.5 | Y1316 V1320 G1321 L1322 N1323 I1330 | Y1316-D1318 PolarHBondContact O-N 2.98Å; D1318-V1320 PolarHBondContact O-N 3.13Å; D1318-V1320 WeakPolarHBondContact OD1-CA 3.45Å; D1318-V1320 WeakPolarHBondContact OD1-CB 3.2Å; D1318-V1320 PolarHBondContact OD1-N 3.13Å; D1318-G1321 PolarHBondContact OD1-N 3.22Å; D1318-G1321 WeakPolarHBondContact OD2-CA 3.3Å; D1318-G1321 PolarHBondContact OD2-N 3.24Å; D1318-L1322 VanDerWaalsContact O-CA 3.25Å; D1318-L1322 WeakPolarHBondContact O-CA 3.35Å; D1318-L1322 PolarHBondContact O-N 2.95Å; D1318-N1323 WeakPolarHBondContact CB-O 3.05Å; D1318-N1323 PolarHBondContact N-O 3.36Å; D1318-I1330 HydrophobicContact CB-CD1 4.11Å; D1318-I1330 HydrophobicContact CB-CG1 3.85Å | ||
| 1319 | P | 76.6 | Confident | 78.1 | Confident | 29 Ų | 29 | 78.8 Ų | 78.8 | 19% | 0.188 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -13 | 174.7 | 29 | -34.9 | 0 | 0 | 0 | 113.8 | A1288 F1317 L1322 | A1288-P1319 HydrophobicContact CB-CB 3.92Å; F1317-P1319 WeakPolarHBondContact O-CD 3.47Å; P1319-L1322 WeakPolarHBondContact O-CD2 3.5Å |
| 1320 | V | 78 | Confident | 77.9 | Confident | 116 Ų | 116 | 76.1 Ų | 76.1 | 70% | 0.703 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -52.1 | 179.9 | -174.1 | 0 | 0 | 0 | 0 | 111.1 | D1318 L1322 | D1318-V1320 PolarHBondContact O-N 3.13Å; D1318-V1320 WeakPolarHBondContact OD1-CA 3.45Å; D1318-V1320 WeakPolarHBondContact OD1-CB 3.2Å; D1318-V1320 PolarHBondContact OD1-N 3.13Å; V1320-L1322 VanDerWaalsContact C-N 3.31Å |
| 1321 | G | 83.1 | Confident | 77.3 | Confident | 48 Ų | 48 | 79.2 Ų | 79.2 | 50% | 0.495 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -9.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | D1318 N1323 | D1318-G1321 PolarHBondContact OD1-N 3.22Å; D1318-G1321 WeakPolarHBondContact OD2-CA 3.3Å; D1318-G1321 PolarHBondContact OD2-N 3.24Å; G1321-N1323 PolarHBondContact O-N 2.83Å |
| 1322 | L | 86.9 | Confident | 76.6 | Confident | 88 Ų | 88 | 81.1 Ų | 81.1 | 46% | 0.461 | 41% | 0.413 | S | S | . | . | trans | 56.3 | 26.6 | 178.4 | -52.1 | -178.8 | 0 | 0 | 0 | 114.7 | F1317 D1318 P1319 V1320 | F1317-L1322 VanDerWaalsContact CE2-C 3.42Å; F1317-L1322 WeakPolarHBondContact CE2-O 3.38Å; F1317-L1322 HydrophobicContact CZ-CB 4.29Å; F1317-L1322 HydrophobicContact CZ-CD2 4.42Å; D1318-L1322 VanDerWaalsContact O-CA 3.25Å; D1318-L1322 WeakPolarHBondContact O-CA 3.35Å; D1318-L1322 PolarHBondContact O-N 2.95Å; P1319-L1322 WeakPolarHBondContact O-CD2 3.5Å; V1320-L1322 VanDerWaalsContact C-N 3.31Å | ||
| 1323 | N | 85.5 | Confident | 76.2 | Confident | 99 Ų | 99 | 74.4 Ų | 74.4 | 53% | 0.529 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -140.1 | 160.6 | -174.7 | -175 | 31 | 0 | 0 | 0 | 110.9 | D1318 G1321 T1325 | D1318-N1323 WeakPolarHBondContact CB-O 3.05Å; D1318-N1323 PolarHBondContact N-O 3.36Å; G1321-N1323 PolarHBondContact O-N 2.83Å; N1323-T1325 PolarHBondContact O-N 3.44Å |
| 1324 | C | 88.6 | Confident | 76.2 | Confident | 18 Ų | 18 | 66.9 Ų | 66.9 | 12% | 0.122 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 119.7 | 171.9 | -59.6 | 0 | 0 | 0 | 0 | 110.4 | C1311 L1315 Y1316 | C1311-C1324 WeakPolarHBondContact CA-SG 2.98Å; C1311-C1324 HydrophobicContact CB-CB 3.67Å; C1311-C1324 WeakPolarHBondContact CB-SG 3.32Å; C1311-C1324 WeakPolarHBondContact SG-CB 3.34Å; C1311-C1324 CovalentContact SG-SG 2.04Å; C1311-C1324 PolarHBondContact SG-SG 2.95Å; L1315-C1324 HydrophobicContact CB-CB 3.86Å; L1315-C1324 HydrophobicContact CD1-CB 4.2Å; Y1316-C1324 CarbonylContact O-C 3.58Å; Y1316-C1324 VanDerWaalsContact O-CA 3.28Å; Y1316-C1324 WeakPolarHBondContact O-CA 2.97Å |
| 1325 | T | 85.4 | Confident | 75.3 | Confident | 35 Ų | 35 | 64.8 Ų | 64.8 | 22% | 0.215 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | -178.6 | -178.8 | 64.8 | 0 | 0 | 0 | 0 | 111.3 | L1315 Y1316 N1323 I1330 | L1315-T1325 WeakPolarHBondContact CA-O 3.32Å; L1315-T1325 WeakPolarHBondContact CB-O 3.28Å; Y1316-T1325 PolarHBondContact N-O 3.31Å; Y1316-T1325 PolarHBondContact O-N 3.49Å; N1323-T1325 PolarHBondContact O-N 3.44Å; T1325-I1330 WeakPolarHBondContact OG1-CG1 3.35Å |
| 1326 | W | 72.8 | Confident | 73 | Confident | 165 Ų | 165 | 67.3 Ų | 67.3 | 63% | 0.625 | 39% | 0.39 | S | S | * | . | trans | -75.7 | 145.6 | 175.4 | -67.2 | 109.6 | 0 | 0 | 0 | 111.1 | L1315 E1328 A1329 | L1315-W1326 HydrophobicContact CD2-CD2 3.73Å; L1315-W1326 HydrophobicContact CD2-CE3 4Å; L1315-W1326 HydrophobicContact CD2-CG 4.15Å; L1315-W1326 HydrophobicContact CD2-CH2 4.41Å; L1315-W1326 HydrophobicContact CD2-CZ2 4.18Å; L1315-W1326 HydrophobicContact CD2-CZ3 4.32Å; W1326-E1328 WeakPolarHBondContact CB-OE2 3.31Å; W1326-E1328 PolarHBondContact O-N 3.45Å; W1326-E1328 VanDerWaalsContact O-N 3.16Å; W1326-A1329 WeakPolarHBondContact O-CB 3.29Å; W1326-A1329 PolarHBondContact O-N 2.92Å; W1326-A1329 VanDerWaalsContact O-N 3.1Å | ||
| 1327 | P | 65.7 | Low | 70.2 | Confident | 29 Ų | 29 | 69.3 Ų | 69.3 | 19% | 0.188 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -51.8 | -39.9 | -178.5 | -25.9 | 33.9 | 0 | 0 | 0 | 113.5 | Y1316 A1329 I1330 C1333 | Y1316-P1327 HydrophobicContact CD2-CG 3.71Å; Y1316-P1327 HydrophobicContact CE2-CG 4.05Å; Y1316-P1327 HydrophobicContact CG-CG 4.28Å; P1327-A1329 PolarHBondContact O-N 2.03Å; P1327-A1329 VanDerWaalsContact O-N 3.14Å; P1327-I1330 PolarHBondContact O-N 2.78Å; P1327-C1333 HydrophobicContact CB-CB 3.94Å; P1327-C1333 WeakPolarHBondContact O-CB 3.37Å |
| 1328 | E | 68.4 | Low | 67.5 | Low | 140 Ų | 140 | 76.4 Ų | 76.4 | 65% | 0.654 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -64.2 | -24.7 | -174.4 | -57.9 | 69.2 | -147.9 | 0 | 0 | 112.2 | W1326 | W1326-E1328 WeakPolarHBondContact CB-OE2 3.31Å; W1326-E1328 PolarHBondContact O-N 3.45Å; W1326-E1328 VanDerWaalsContact O-N 3.16Å |
| 1329 | A | 74.1 | Confident | 64.6 | Low | 73 Ų | 73 | 81.7 Ų | 81.7 | 60% | 0.603 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -81.7 | -13.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | W1326 P1327 | W1326-A1329 WeakPolarHBondContact O-CB 3.29Å; W1326-A1329 PolarHBondContact O-N 2.92Å; W1326-A1329 VanDerWaalsContact O-N 3.1Å; P1327-A1329 PolarHBondContact O-N 2.03Å; P1327-A1329 VanDerWaalsContact O-N 3.14Å |
| 1330 | I | 74.2 | Confident | 62.2 | Low | 3 Ų | 3 | 85.9 Ų | 85.9 | 2% | 0.015 | 49% | 0.493 | C | S | . | . | S | Bend | trans | -102.1 | 116.3 | -175.1 | -57.2 | 172.3 | 0 | 0 | 0 | 108.8 | D1318 T1325 P1327 A1332 C1333 S1334 | D1318-I1330 HydrophobicContact CB-CD1 4.11Å; D1318-I1330 HydrophobicContact CB-CG1 3.85Å; T1325-I1330 WeakPolarHBondContact OG1-CG1 3.35Å; P1327-I1330 PolarHBondContact O-N 2.78Å; I1330-A1332 HydrophobicContact CG2-CB 4.36Å; I1330-A1332 PolarHBondContact O-N 2.83Å; I1330-A1332 VanDerWaalsContact O-N 3.14Å; I1330-C1333 HydrophobicContact CB-CB 4.06Å; I1330-C1333 HydrophobicContact CG2-CB 4.41Å; I1330-C1333 WeakPolarHBondContact O-CA 3.31Å; I1330-C1333 WeakPolarHBondContact O-CB 3.21Å; I1330-C1333 PolarHBondContact O-N 2.91Å; I1330-S1334 PolarHBondContact O-N 3.46Å; I1330-S1334 PolarHBondContact O-OG 2.99Å; I1330-S1334 VanDerWaalsContact O-OG 3.12Å |
| 1331 | E | 66.3 | Low | 59.8 | Low | 134 Ų | 134 | 86.2 Ų | 86.2 | 63% | 0.626 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -57.9 | -33.7 | -174.8 | -167.2 | 174.1 | -171.2 | 0 | 0 | 113.3 | C1333 S1334 N1335 | E1331-C1333 VanDerWaalsContact C-N 3.25Å; E1331-C1333 PolarHBondContact O-N 3Å; E1331-S1334 PolarHBondContact O-N 3.24Å; E1331-N1335 WeakPolarHBondContact CG-ND2 3.44Å; E1331-N1335 WeakPolarHBondContact O-CB 3.45Å; E1331-N1335 PolarHBondContact O-N 2.78Å; E1331-N1335 VanDerWaalsContact O-N 3.1Å; E1331-N1335 PolarHBondContact OE1-ND2 3.18Å |
| 1332 | A | 65.8 | Low | 57 | Low | 50 Ų | 50 | 90.3 Ų | 90.3 | 41% | 0.413 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -73.6 | -10.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | I1330 | I1330-A1332 HydrophobicContact CG2-CB 4.36Å; I1330-A1332 PolarHBondContact O-N 2.83Å; I1330-A1332 VanDerWaalsContact O-N 3.14Å |
| 1333 | C | 68.9 | Low | 54.1 | Low | 35 Ų | 35 | 91.1 Ų | 91.1 | 24% | 0.236 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -101.8 | -32.3 | 172.3 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | C1294 P1327 I1330 E1331 | C1294-C1333 HydrophobicContact CB-CB 3.9Å; C1294-C1333 WeakPolarHBondContact CB-SG 3.33Å; C1294-C1333 WeakPolarHBondContact SG-CB 3.39Å; C1294-C1333 CovalentContact SG-SG 2.02Å; C1294-C1333 PolarHBondContact SG-SG 2.98Å; P1327-C1333 HydrophobicContact CB-CB 3.94Å; P1327-C1333 WeakPolarHBondContact O-CB 3.37Å; I1330-C1333 HydrophobicContact CB-CB 4.06Å; I1330-C1333 HydrophobicContact CG2-CB 4.41Å; I1330-C1333 WeakPolarHBondContact O-CA 3.31Å; I1330-C1333 WeakPolarHBondContact O-CB 3.21Å; I1330-C1333 PolarHBondContact O-N 2.91Å; E1331-C1333 VanDerWaalsContact C-N 3.25Å; E1331-C1333 PolarHBondContact O-N 3Å |
| 1334 | S | 65.9 | Low | 51.3 | Low | 64 Ų | 64 | 91.8 Ų | 91.8 | 45% | 0.448 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -94.5 | -20.2 | -173.1 | 55.9 | 0 | 0 | 0 | 0 | 115.6 | I1330 E1331 A1336 | I1330-S1334 PolarHBondContact O-N 3.46Å; I1330-S1334 PolarHBondContact O-OG 2.99Å; I1330-S1334 VanDerWaalsContact O-OG 3.12Å; E1331-S1334 PolarHBondContact O-N 3.24Å; S1334-A1336 PolarHBondContact O-N 3.17Å; S1334-A1336 VanDerWaalsContact O-N 3.13Å |
| 1335 | N | 40.7 | Very low | 48.2 | Very low | 99 Ų | 99 | 96 Ų | 96 | 53% | 0.529 | 57% | 0.571 | S | S | . | * | trans | -84.6 | 82 | 178.1 | -99.1 | -43.3 | 0 | 0 | 0 | 113.8 | E1331 | E1331-N1335 WeakPolarHBondContact CG-ND2 3.44Å; E1331-N1335 WeakPolarHBondContact O-CB 3.45Å; E1331-N1335 PolarHBondContact O-N 2.78Å; E1331-N1335 VanDerWaalsContact O-N 3.1Å; E1331-N1335 PolarHBondContact OE1-ND2 3.18Å | ||
| 1336 | A | 31.2 | Very low | 45.4 | Very low | 85 Ų | 85 | 97.8 Ų | 97.8 | 70% | 0.702 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -103.9 | 83.9 | 158.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | S1334 | S1334-A1336 PolarHBondContact O-N 3.17Å; S1334-A1336 VanDerWaalsContact O-N 3.13Å |
| 1337 | T | 26.6 | Very low | 43.3 | Very low | 119 Ų | 119 | 96.6 Ų | 96.6 | 73% | 0.73 | 60% | 0.602 | S | S | * | * | S | Bend | trans | 71.2 | 145.2 | -162.4 | 79.3 | 0 | 0 | 0 | 0 | 112.5 | ||
| 1338 | L | 27.3 | Very low | 41.3 | Very low | 154 Ų | 154 | 101.7 Ų | 101.7 | 81% | 0.806 | 63% | 0.628 | S | S | * | * | cis | -148.3 | 146.9 | 24.8 | -144 | 142 | 0 | 0 | 0 | 111.5 | ||||
| 1339 | E | 25.2 | Very low | 39.3 | Very low | 132 Ų | 132 | 100.2 Ų | 100.2 | 62% | 0.617 | 64% | 0.64 | S | S | * | * | trans | -84.9 | 134.8 | -176.9 | -85.3 | -157.3 | 132.9 | 0 | 0 | 115.5 | N1202 | N1202-E1339 PolarHBondContact ND2-OE2 3.18Š| ||
| 1340 | N | 25.8 | Very low | 37 | Very low | 118 Ų | 118 | 102 Ų | 102 | 63% | 0.631 | 65% | 0.647 | S | S | * | * | trans | 61.3 | 107.5 | 142.7 | -167.4 | 10.6 | 0 | 0 | 0 | 119.7 | T1342 | N1340-T1342 PolarHBondContact OD1-N 3.01Å; N1340-T1342 PolarHBondContact OD1-OG1 3.23Å | ||
| 1341 | S | 26.9 | Very low | 34.8 | Very low | 123 Ų | 123 | 105 Ų | 105 | 86% | 0.86 | 67% | 0.673 | S | S | * | * | trans | -144.2 | 111.7 | 133.2 | -83.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1342 | T | 24 | Very low | 32.9 | Very low | 133 Ų | 133 | 102.4 Ų | 102.4 | 82% | 0.816 | 68% | 0.675 | S | S | * | * | trans | -82.9 | 117.6 | -174.8 | 13.8 | 0 | 0 | 0 | 0 | 112.2 | N1340 | N1340-T1342 PolarHBondContact OD1-N 3.01Å; N1340-T1342 PolarHBondContact OD1-OG1 3.23Å | ||
| 1343 | S | 26.6 | Very low | 31.2 | Very low | 105 Ų | 105 | 102.8 Ų | 102.8 | 73% | 0.734 | 68% | 0.683 | S | S | * | * | trans | -145 | 133.3 | 162.4 | 67 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1344 | S | 26.1 | Very low | 29.4 | Very low | 114 Ų | 114 | 103.6 Ų | 103.6 | 80% | 0.797 | 70% | 0.697 | S | S | * | * | trans | 36.1 | 104.1 | 164.3 | 49.4 | 0 | 0 | 0 | 0 | 119.9 | G1346 | S1344-G1346 PolarHBondContact O-N 2.83Š| ||
| 1345 | S | 25.3 | Very low | 27.6 | Very low | 106 Ų | 106 | 109.6 Ų | 109.6 | 74% | 0.741 | 71% | 0.71 | S | S | * | * | trans | -24.6 | 110.8 | 156.6 | 179.1 | 0 | 0 | 0 | 0 | 115.5 | N1347 | S1345-N1347 PolarHBondContact OG-OD1 3.22Š| ||
| 1346 | G | 26.6 | Very low | 27.5 | Very low | 73 Ų | 73 | 107 Ų | 107 | 75% | 0.753 | 70% | 0.696 | S | S | * | * | trans | -121.6 | 93.2 | 160.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | S1344 | S1344-G1346 PolarHBondContact O-N 2.83Š| ||
| 1347 | N | 26.8 | Very low | 28 | Very low | 139 Ų | 139 | 109.7 Ų | 109.7 | 74% | 0.743 | 69% | 0.694 | S | S | * | * | trans | -72.7 | 155.6 | 177.9 | -65.3 | -10.8 | 0 | 0 | 0 | 111 | S1345 | S1345-N1347 PolarHBondContact OG-OD1 3.22Š| ||
| 1348 | N | 25.3 | Very low | 28.4 | Very low | 137 Ų | 137 | 107.2 Ų | 107.2 | 73% | 0.733 | 69% | 0.693 | S | S | * | * | trans | 76.5 | 69.5 | -179.6 | -61.4 | -0.1 | 0 | 0 | 0 | 116.7 | ||||
| 1349 | A | 26.3 | Very low | 29.1 | Very low | 109 Ų | 109 | 103.8 Ų | 103.8 | 90% | 0.901 | 68% | 0.675 | S | S | * | * | trans | -96.2 | 13.4 | 149.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1350 | S | 26.3 | Very low | 29.7 | Very low | 109 Ų | 109 | 99.1 Ų | 99.1 | 76% | 0.762 | 65% | 0.652 | S | S | * | * | trans | -106.3 | 43.8 | -177.4 | 46.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1351 | A | 26.3 | Very low | 30.1 | Very low | 66 Ų | 66 | 96.2 Ų | 96.2 | 55% | 0.545 | 65% | 0.651 | S | S | . | * | trans | -142 | 22 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1352 | A | 27.1 | Very low | 30.1 | Very low | 81 Ų | 81 | 97.5 Ų | 97.5 | 67% | 0.669 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -82.8 | -61.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | G1354 R1355 | A1352-G1354 PolarHBondContact O-N 3.1Å; A1352-R1355 PolarHBondContact O-N 3.08Å; A1352-R1355 VanDerWaalsContact O-N 3.12Å |
| 1353 | G | 29.3 | Very low | 30.5 | Very low | 57 Ų | 57 | 95.3 Ų | 95.3 | 59% | 0.588 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -60.3 | -28.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | R1355 L1356 | G1353-R1355 PolarHBondContact O-N 3.41Å; G1353-R1355 VanDerWaalsContact O-N 3.17Å; G1353-L1356 PolarHBondContact O-N 2.92Å |
| 1354 | G | 32.5 | Very low | 30.5 | Very low | 52 Ų | 52 | 102 Ų | 102 | 54% | 0.536 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -66.8 | -11.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | A1352 | A1352-G1354 PolarHBondContact O-N 3.1Å |
| 1355 | R | 28.7 | Very low | 30.6 | Very low | 190 Ų | 190 | 99.7 Ų | 99.7 | 72% | 0.717 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -90.1 | -26.8 | 178.9 | -163.6 | 169.8 | 176.8 | -166.8 | -7.3 | 113.4 | A1352 G1353 Q1357 G1358 | A1352-R1355 PolarHBondContact O-N 3.08Å; A1352-R1355 VanDerWaalsContact O-N 3.12Å; G1353-R1355 PolarHBondContact O-N 3.41Å; G1353-R1355 VanDerWaalsContact O-N 3.17Å; R1355-Q1357 VanDerWaalsContact C-N 3.33Å; R1355-Q1357 PolarHBondContact O-N 2.86Å; R1355-G1358 PolarHBondContact O-N 2.95Å |
| 1356 | L | 37 | Very low | 30.7 | Very low | 44 Ų | 44 | 100.4 Ų | 100.4 | 23% | 0.23 | 64% | 0.636 | C | S | . | * | H | α-helix | trans | -65.5 | -33.8 | 176.1 | -81.6 | 175.8 | 0 | 0 | 0 | 112.8 | G1353 G1358 L1359 F1360 Q1411 | G1353-L1356 PolarHBondContact O-N 2.92Å; L1356-G1358 PolarHBondContact O-N 2.88Å; L1356-L1359 PolarHBondContact O-N 2.88Å; L1356-F1360 HydrophobicContact CB-CD2 4.48Å; L1356-F1360 HydrophobicContact CB-CE2 4.3Å; L1356-F1360 HydrophobicContact CD2-CE2 4.12Å; L1356-F1360 WeakPolarHBondContact O-CD2 3.46Å; L1356-F1360 PolarHBondContact O-N 3.5Å; L1356-Q1411 VanDerWaalsContact CD2-CD 3.48Å; L1356-Q1411 HydrophobicContact CD2-CG 4.36Å |
| 1357 | Q | 42.2 | Very low | 30.6 | Very low | 142 Ų | 142 | 106 Ų | 106 | 66% | 0.664 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | -19.2 | 175.6 | -70 | -178 | -33.1 | 0 | 0 | 113.5 | R1355 | R1355-Q1357 VanDerWaalsContact C-N 3.33Å; R1355-Q1357 PolarHBondContact O-N 2.86Å |
| 1358 | G | 34.6 | Very low | 30.8 | Very low | 68 Ų | 68 | 104.9 Ų | 104.9 | 70% | 0.701 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -22.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115 | R1355 L1356 | R1355-G1358 PolarHBondContact O-N 2.95Å; L1356-G1358 PolarHBondContact O-N 2.88Å |
| 1359 | L | 41.8 | Very low | 31.1 | Very low | 82 Ų | 82 | 104.4 Ų | 104.4 | 43% | 0.429 | 64% | 0.643 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.5 | -40.6 | -178.9 | -74.9 | 165.5 | 0 | 0 | 0 | 112.2 | L1356 G1361 | L1356-L1359 PolarHBondContact O-N 2.88Å; L1359-G1361 PolarHBondContact O-N 2.89Å |
| 1360 | F | 38.5 | Very low | 31.6 | Very low | 33 Ų | 33 | 109.4 Ų | 109.4 | 15% | 0.145 | 65% | 0.647 | C | S | . | * | S | Bend | trans | -76.8 | 12.9 | -176.7 | -65.6 | -70.3 | 0 | 0 | 0 | 115.5 | L1356 N1362 F1363 L1373 F1395 | L1356-F1360 HydrophobicContact CB-CD2 4.48Å; L1356-F1360 HydrophobicContact CB-CE2 4.3Å; L1356-F1360 HydrophobicContact CD2-CE2 4.12Å; L1356-F1360 WeakPolarHBondContact O-CD2 3.46Å; L1356-F1360 PolarHBondContact O-N 3.5Å; F1360-N1362 PolarHBondContact O-N 3.14Å; F1360-F1363 HydrophobicContact CB-CD2 4.5Å; F1360-F1363 HydrophobicContact CD1-CD2 4.16Å; F1360-F1363 AromaticContact CD1-CE2 3.9Å; F1360-F1363 HydrophobicContact CD1-CE2 3.9Å; F1360-F1363 PolarHBondContact O-N 3.13Å; F1360-L1373 HydrophobicContact CD2-CD2 4.26Å; F1360-L1373 HydrophobicContact CG-CD2 4.34Å; F1360-F1395 HydrophobicContact CD1-CE2 4.38Å; F1360-F1395 AromaticContact CD1-CZ 3.77Å; F1360-F1395 HydrophobicContact CD1-CZ 3.77Å; F1360-F1395 AromaticContact CE1-CE1 3.74Å; F1360-F1395 HydrophobicContact CE1-CE1 3.74Å; F1360-F1395 HydrophobicContact CE1-CE2 4.17Å; F1360-F1395 AromaticContact CE1-CZ 3.31Å; F1360-F1395 HydrophobicContact CE1-CZ 3.31Å; F1360-F1395 AromaticContact CZ-CE1 3.89Å; F1360-F1395 HydrophobicContact CZ-CE1 3.89Å; F1360-F1395 AromaticContact CZ-CZ 3.81Å; F1360-F1395 HydrophobicContact CZ-CZ 3.81Å |
| 1361 | G | 33.8 | Very low | 32 | Very low | 58 Ų | 58 | 109.6 Ų | 109.6 | 60% | 0.598 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | 15.2 | -163.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | L1359 | L1359-G1361 PolarHBondContact O-N 2.89Š|
| 1362 | N | 27.6 | Very low | 32.6 | Very low | 150 Ų | 150 | 112.4 Ų | 112.4 | 80% | 0.802 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147.5 | 13.4 | 178.2 | -94.5 | -56.5 | 0 | 0 | 0 | 116.2 | F1360 R1364 | F1360-N1362 PolarHBondContact O-N 3.14Å; N1362-R1364 PolarHBondContact O-N 2.8Å |
| 1363 | F | 31 | Very low | 33.1 | Very low | 87 Ų | 87 | 112.4 Ų | 112.4 | 38% | 0.382 | 63% | 0.629 | S | S | . | * | trans | -69 | 97.8 | 174.1 | -83.3 | -97.9 | 0 | 0 | 0 | 111.5 | F1360 G1365 F1395 R1431 N1432 | F1360-F1363 HydrophobicContact CB-CD2 4.5Å; F1360-F1363 HydrophobicContact CD1-CD2 4.16Å; F1360-F1363 AromaticContact CD1-CE2 3.9Å; F1360-F1363 HydrophobicContact CD1-CE2 3.9Å; F1360-F1363 PolarHBondContact O-N 3.13Å; F1363-G1365 VanDerWaalsContact C-N 3.31Å; F1363-G1365 PolarHBondContact O-N 2.76Å; F1363-G1365 VanDerWaalsContact O-N 3.11Å; F1363-F1395 HydrophobicContact CE2-CE2 4.4Å; F1363-R1431 WeakPolarHBondContact CZ-O 3.48Å; F1363-N1432 WeakPolarHBondContact CD1-OD1 3.31Å; F1363-N1432 HydrophobicContact CE1-CB 4.21Å; F1363-N1432 WeakPolarHBondContact CE1-OD1 3.48Å | ||
| 1364 | R | 26.9 | Very low | 33.1 | Very low | 244 Ų | 244 | 113.4 Ų | 113.4 | 92% | 0.921 | 63% | 0.631 | S | S | * | * | trans | -82.9 | 71.5 | 171.9 | -75.6 | -169.9 | 173.5 | -138.4 | -1 | 111.8 | N1362 | N1362-R1364 PolarHBondContact O-N 2.8Š| ||
| 1365 | G | 29.2 | Very low | 33.1 | Very low | 66 Ų | 66 | 113.8 Ų | 113.8 | 68% | 0.68 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 160.5 | 156.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | F1363 | F1363-G1365 VanDerWaalsContact C-N 3.31Å; F1363-G1365 PolarHBondContact O-N 2.76Å; F1363-G1365 VanDerWaalsContact O-N 3.11Å |
| 1366 | S | 26.7 | Very low | 33.3 | Very low | 122 Ų | 122 | 108 Ų | 108 | 85% | 0.853 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 164.8 | 176.2 | 50.8 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1367 | E | 25.6 | Very low | 33.2 | Very low | 190 Ų | 190 | 112.8 Ų | 112.8 | 89% | 0.888 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -54.9 | 151.2 | -166.2 | -58.7 | 174.3 | 138.3 | 0 | 0 | 115.7 | ||
| 1368 | S | 29.6 | Very low | 33.1 | Very low | 116 Ų | 116 | 109.6 Ų | 109.6 | 81% | 0.811 | 63% | 0.627 | S | S | * | * | S | Bend | trans | 68.8 | 67 | 172.9 | 57.7 | 0 | 0 | 0 | 0 | 118.9 | ||
| 1369 | D | 31.9 | Very low | 33.7 | Very low | 127 Ų | 127 | 109.4 Ų | 109.4 | 68% | 0.679 | 61% | 0.614 | S | S | * | * | -165.1 | 114 | 127.1 | -111.3 | -25.6 | 0 | 0 | 0 | 112.3 | N1371 F1372 | D1369-N1371 PolarHBondContact O-N 2.03Å; D1369-N1371 VanDerWaalsContact O-N 3.16Å; D1369-F1372 PolarHBondContact O-N 2.91Å | |||
| 1370 | E | 37.1 | Very low | 34.1 | Very low | 213 Ų | 213 | 109.2 Ų | 109.2 | 100% | 0.995 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | 0.8 | 167.8 | -71.8 | -159 | 142.2 | 0 | 0 | 112.6 | ||
| 1371 | N | 35 | Very low | 35.1 | Very low | 113 Ų | 113 | 108.2 Ų | 108.2 | 60% | 0.604 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | 8.3 | 179 | -132.9 | 15.4 | 0 | 0 | 0 | 113.5 | D1369 L1373 A1374 | D1369-N1371 PolarHBondContact O-N 2.03Å; D1369-N1371 VanDerWaalsContact O-N 3.16Å; N1371-L1373 PolarHBondContact O-N 3.37Å; N1371-A1374 WeakPolarHBondContact O-CB 3.21Å; N1371-A1374 PolarHBondContact O-N 3.28Å; N1371-A1374 WeakPolarHBondContact OD1-CB 3.36Å |
| 1372 | F | 38.4 | Very low | 36.4 | Very low | 126 Ų | 126 | 113.3 Ų | 113.3 | 55% | 0.553 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -55.5 | -35 | -177.1 | -171.3 | -110.7 | 0 | 0 | 0 | 113.6 | D1369 A1374 M1376 | D1369-F1372 PolarHBondContact O-N 2.91Å; F1372-A1374 VanDerWaalsContact C-N 3.32Å; F1372-A1374 PolarHBondContact O-N 3.12Å; F1372-M1376 HydrophobicContact CD1-CE 3.95Å; F1372-M1376 HydrophobicContact CE1-CE 3.33Å; F1372-M1376 HydrophobicContact CE2-CE 4.28Å; F1372-M1376 HydrophobicContact CZ-CE 3.52Å |
| 1373 | L | 37 | Very low | 38 | Very low | 81 Ų | 81 | 109.3 Ų | 109.3 | 42% | 0.424 | 60% | 0.599 | S | S | . | * | G | 310 helix | trans | -75.3 | -14.3 | 175.8 | -69.6 | 173.9 | 0 | 0 | 0 | 114.3 | F1360 N1371 G1375 | F1360-L1373 HydrophobicContact CD2-CD2 4.26Å; F1360-L1373 HydrophobicContact CG-CD2 4.34Å; N1371-L1373 PolarHBondContact O-N 3.37Å; L1373-G1375 VanDerWaalsContact C-N 3.34Å |
| 1374 | A | 30.7 | Very low | 39 | Very low | 77 Ų | 77 | 113.4 Ų | 113.4 | 64% | 0.636 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -88.9 | 1.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | N1371 F1372 | N1371-A1374 WeakPolarHBondContact O-CB 3.21Å; N1371-A1374 PolarHBondContact O-N 3.28Å; N1371-A1374 WeakPolarHBondContact OD1-CB 3.36Å; F1372-A1374 VanDerWaalsContact C-N 3.32Å; F1372-A1374 PolarHBondContact O-N 3.12Å |
| 1375 | G | 32.6 | Very low | 40.9 | Very low | 60 Ų | 60 | 105.4 Ų | 105.4 | 62% | 0.619 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -109.5 | -7.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | L1373 | L1373-G1375 VanDerWaalsContact C-N 3.34Š|
| 1376 | M | 32 | Very low | 43.1 | Very low | 69 Ų | 69 | 102.6 Ų | 102.6 | 34% | 0.34 | 56% | 0.559 | S | S | . | * | trans | -90.7 | 129.7 | -176 | -64.9 | -174.4 | 178.9 | 0 | 0 | 111.3 | F1372 F1378 L1418 | F1372-M1376 HydrophobicContact CD1-CE 3.95Å; F1372-M1376 HydrophobicContact CE1-CE 3.33Å; F1372-M1376 HydrophobicContact CE2-CE 4.28Å; F1372-M1376 HydrophobicContact CZ-CE 3.52Å; M1376-F1378 HydrophobicContact CB-CE2 4.4Å; M1376-F1378 WeakPolarHBondContact O-CD2 3.42Å; M1376-F1378 PolarHBondContact O-N 3.12Å; M1376-L1418 HydrophobicContact SD-CD2 4.22Å | ||
| 1377 | N | 35.1 | Very low | 45.5 | Very low | 144 Ų | 144 | 99.2 Ų | 99.2 | 77% | 0.77 | 53% | 0.532 | S | S | * | . | trans | -86.1 | 96.8 | -175.7 | -158 | 34.8 | 0 | 0 | 0 | 110 | S1379 | N1377-S1379 PolarHBondContact O-N 2.71Š| ||
| 1378 | F | 39.8 | Very low | 48.2 | Very low | 76 Ų | 76 | 90.2 Ų | 90.2 | 33% | 0.333 | 49% | 0.49 | S | S | . | . | trans | -75.2 | 84.5 | 178.3 | -67.5 | -88.5 | 0 | 0 | 0 | 110.9 | M1376 P1380 F1416 L1418 | M1376-F1378 HydrophobicContact CB-CE2 4.4Å; M1376-F1378 WeakPolarHBondContact O-CD2 3.42Å; M1376-F1378 PolarHBondContact O-N 3.12Å; F1378-P1380 VanDerWaalsContact O-CD 3.31Å; F1378-P1380 WeakPolarHBondContact O-CD 3.5Å; F1378-F1416 HydrophobicContact CB-CD1 4.04Å; F1378-F1416 HydrophobicContact CD1-CB 4.3Å; F1378-F1416 HydrophobicContact CD1-CG 4.46Å; F1378-L1418 HydrophobicContact CD1-CD1 4.44Å; F1378-L1418 HydrophobicContact CD1-CD2 4.44Å; F1378-L1418 HydrophobicContact CE1-CD1 4.45Å; F1378-L1418 HydrophobicContact CE1-CD2 4.02Å | ||
| 1379 | S | 47.7 | Very low | 50.3 | Low | 63 Ų | 63 | 87.2 Ų | 87.2 | 44% | 0.441 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 119.2 | 165.4 | -71.9 | 0 | 0 | 0 | 0 | 109.3 | N1377 V1381 F1416 R1417 | N1377-S1379 PolarHBondContact O-N 2.71Å; S1379-V1381 PolarHBondContact O-N 3.32Å; S1379-F1416 WeakPolarHBondContact O-CA 3.01Å; S1379-R1417 PolarHBondContact O-N 2.84Å |
| 1380 | P | 49.6 | Very low | 52.2 | Low | 78 Ų | 78 | 88.4 Ų | 88.4 | 51% | 0.506 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 134.2 | 166.5 | 29.2 | -33.2 | 0 | 0 | 0 | 108.6 | F1378 F1416 | F1378-P1380 VanDerWaalsContact O-CD 3.31Å; F1378-P1380 WeakPolarHBondContact O-CD 3.5Å; P1380-F1416 HydrophobicContact CB-CD1 4.24Å; P1380-F1416 HydrophobicContact CB-CE1 4.01Å |
| 1381 | V | 59.2 | Low | 54.2 | Low | 12 Ų | 12 | 82.9 Ų | 82.9 | 7% | 0.073 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 135.2 | -177.5 | 166 | 0 | 0 | 0 | 0 | 108.9 | S1379 E1385 F1386 Y1408 A1415 R1417 | S1379-V1381 PolarHBondContact O-N 3.32Å; V1381-E1385 HydrophobicContact CG1-CB 3.7Å; V1381-E1385 HydrophobicContact CG1-CG 3.66Å; V1381-F1386 HydrophobicContact CG1-CB 3.93Å; V1381-Y1408 HydrophobicContact CG1-CE1 4.22Å; V1381-Y1408 HydrophobicContact CG2-CD1 4.11Å; V1381-Y1408 HydrophobicContact CG2-CE1 4.02Å; V1381-A1415 HydrophobicContact CB-CB 3.74Å; V1381-A1415 HydrophobicContact CG1-CB 3.99Å; V1381-A1415 PolarHBondContact N-O 3.18Å; V1381-R1417 HydrophobicContact CG2-CB 3.41Å; V1381-R1417 VanDerWaalsContact CG2-CB 3.41Å |
| 1382 | Y | 62.5 | Low | 56.2 | Low | 165 Ų | 165 | 85.2 Ų | 85.2 | 65% | 0.647 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -70 | 145.6 | 174.4 | -75.7 | -77.2 | 0 | 0 | 0 | 110.4 | F1384 E1385 F1386 | Y1382-F1384 HydrophobicContact CD1-CE1 4.45Å; Y1382-F1384 HydrophobicContact CD2-CE1 4.12Å; Y1382-F1384 HydrophobicContact CD2-CZ 4.2Å; Y1382-F1384 HydrophobicContact CG-CD1 4.43Å; Y1382-F1384 AromaticContact CG-CE1 3.73Å; Y1382-F1384 HydrophobicContact CG-CE1 3.73Å; Y1382-F1384 HydrophobicContact CG-CZ 4.22Å; Y1382-F1384 PolarHBondContact O-N 2.94Å; Y1382-E1385 PolarHBondContact O-N 3.49Å; Y1382-F1386 PolarHBondContact O-N 3.4Å |
| 1383 | P | 59.6 | Low | 58.3 | Low | 66 Ų | 66 | 82.1 Ų | 82.1 | 43% | 0.429 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -13.8 | -175.5 | -27 | 35.5 | 0 | 0 | 0 | 116.1 | D1387 | P1383-D1387 PolarHBondContact O-N 2.62Š|
| 1384 | F | 53.9 | Low | 60.4 | Low | 174 Ų | 174 | 80.3 Ų | 80.3 | 76% | 0.763 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -26.5 | 173.8 | 65.8 | -106.6 | 0 | 0 | 0 | 113.8 | Y1382 | Y1382-F1384 HydrophobicContact CD1-CE1 4.45Å; Y1382-F1384 HydrophobicContact CD2-CE1 4.12Å; Y1382-F1384 HydrophobicContact CD2-CZ 4.2Å; Y1382-F1384 HydrophobicContact CG-CD1 4.43Å; Y1382-F1384 AromaticContact CG-CE1 3.73Å; Y1382-F1384 HydrophobicContact CG-CE1 3.73Å; Y1382-F1384 HydrophobicContact CG-CZ 4.22Å; Y1382-F1384 PolarHBondContact O-N 2.94Å |
| 1385 | E | 65.7 | Low | 62.9 | Low | 75 Ų | 75 | 77.6 Ų | 77.6 | 35% | 0.35 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -39.1 | 177.9 | 167.2 | -173 | -179.1 | 0 | 0 | 110.5 | V1381 Y1382 Y1408 R1417 | V1381-E1385 HydrophobicContact CG1-CB 3.7Å; V1381-E1385 HydrophobicContact CG1-CG 3.66Å; Y1382-E1385 PolarHBondContact O-N 3.49Å; E1385-Y1408 HydrophobicContact CG-CE1 4.19Å; E1385-Y1408 WeakPolarHBondContact CG-OH 3.27Å; E1385-R1417 WeakPolarHBondContact OE1-CD 3.27Å |
| 1386 | F | 75.5 | Confident | 65.3 | Low | 7 Ų | 7 | 76.3 Ų | 76.3 | 3% | 0.031 | 38% | 0.378 | C | S | . | . | trans | -155.8 | 115.4 | 166.4 | -165.8 | -99.3 | 0 | 0 | 0 | 112.3 | V1381 Y1382 F1396 P1399 Y1408 A1415 | V1381-F1386 HydrophobicContact CG1-CB 3.93Å; Y1382-F1386 PolarHBondContact O-N 3.4Å; F1386-F1396 HydrophobicContact CE1-CB 3.94Å; F1386-F1396 HydrophobicContact CE1-CD2 4.21Å; F1386-F1396 HydrophobicContact CE1-CG 4.18Å; F1386-F1396 HydrophobicContact CE2-CB 4.26Å; F1386-F1396 HydrophobicContact CZ-CB 3.4Å; F1386-F1396 HydrophobicContact CZ-CD1 4.48Å; F1386-F1396 HydrophobicContact CZ-CD2 4.33Å; F1386-F1396 AromaticContact CZ-CG 3.83Å; F1386-F1396 HydrophobicContact CZ-CG 3.83Å; F1386-P1399 HydrophobicContact CD2-CG 4.32Å; F1386-P1399 HydrophobicContact CE2-CG 4.02Å; F1386-Y1408 HydrophobicContact CB-CD1 3.79Å; F1386-Y1408 HydrophobicContact CB-CD2 3.79Å; F1386-Y1408 HydrophobicContact CB-CE1 3.86Å; F1386-Y1408 HydrophobicContact CB-CE2 3.83Å; F1386-Y1408 HydrophobicContact CB-CG 3.75Å; F1386-Y1408 HydrophobicContact CD1-CD2 4.04Å; F1386-Y1408 AromaticContact CD1-CG 3.83Å; F1386-Y1408 HydrophobicContact CD1-CG 3.83Å; F1386-Y1408 AromaticContact CD2-CD2 3.2Å; F1386-Y1408 HydrophobicContact CD2-CD2 3.2Å; F1386-Y1408 AromaticContact CD2-CE2 3.5Å; F1386-Y1408 HydrophobicContact CD2-CE2 3.5Å; F1386-Y1408 AromaticContact CD2-CG 3.86Å; F1386-Y1408 HydrophobicContact CD2-CG 3.86Å; F1386-Y1408 HydrophobicContact CE1-CD2 4.44Å; F1386-Y1408 HydrophobicContact CE1-CG 4.39Å; F1386-Y1408 AromaticContact CE2-CD2 3.69Å; F1386-Y1408 HydrophobicContact CE2-CD2 3.69Å; F1386-Y1408 HydrophobicContact CE2-CE2 4.29Å; F1386-Y1408 HydrophobicContact CE2-CG 4.41Å; F1386-Y1408 HydrophobicContact CG-CD1 4.1Å; F1386-Y1408 AromaticContact CG-CD2 3.39Å; F1386-Y1408 HydrophobicContact CG-CD2 3.39Å; F1386-Y1408 AromaticContact CG-CE2 3.84Å; F1386-Y1408 HydrophobicContact CG-CE2 3.84Å; F1386-Y1408 AromaticContact CG-CG 3.53Å; F1386-Y1408 HydrophobicContact CG-CG 3.53Å; F1386-Y1408 HydrophobicContact CZ-CD2 4.3Å; F1386-A1415 HydrophobicContact CB-CB 4.29Å; F1386-A1415 HydrophobicContact CD1-CB 4.12Å; F1386-A1415 VanDerWaalsContact O-CB 3.23Å; F1386-A1415 WeakPolarHBondContact O-CB 3.46Å | ||
| 1387 | D | 76 | Confident | 67.5 | Low | 52 Ų | 52 | 74.4 Ų | 74.4 | 28% | 0.278 | 37% | 0.368 | S | S | . | . | trans | -85.2 | 119.5 | 175.6 | -171.9 | 22.1 | 0 | 0 | 0 | 112.1 | P1383 Q1389 R1391 | P1383-D1387 PolarHBondContact O-N 2.62Å; D1387-Q1389 VanDerWaalsContact OD1-CB 3.28Å; D1387-Q1389 WeakPolarHBondContact OD1-CB 3.12Å; D1387-Q1389 VanDerWaalsContact OD1-CG 3.27Å; D1387-Q1389 WeakPolarHBondContact OD1-CG 3.28Å; D1387-Q1389 PolarHBondContact OD1-N 3.42Å; D1387-R1391 WeakPolarHBondContact O-CD 3.02Å; D1387-R1391 PolarHBondContact O-NE 3.09Å | ||
| 1388 | C | 83.4 | Confident | 69.3 | Low | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.007 | 33% | 0.334 | C | S | . | . | trans | -92.5 | -1.1 | 172 | -78.9 | 0 | 0 | 0 | 0 | 113.7 | N1390 R1391 C1410 Q1413 A1415 | C1388-N1390 PolarHBondContact O-N 2.98Å; C1388-R1391 WeakPolarHBondContact O-CB 3.11Å; C1388-R1391 PolarHBondContact O-N 3.01Å; C1388-C1410 HydrophobicContact CB-CB 3.78Å; C1388-C1410 WeakPolarHBondContact CB-SG 3.26Å; C1388-C1410 WeakPolarHBondContact SG-CA 3.44Å; C1388-C1410 WeakPolarHBondContact SG-CB 3.48Å; C1388-C1410 CovalentContact SG-SG 2.04Å; C1388-C1410 PolarHBondContact SG-SG 2.78Å; C1388-Q1413 WeakPolarHBondContact CB-O 3.42Å; C1388-A1415 HydrophobicContact CB-CB 4.42Å; C1388-A1415 VanDerWaalsContact SG-CA 3.58Å; C1388-A1415 VanDerWaalsContact SG-CB 3.56Å | ||
| 1389 | Q | 73.2 | Confident | 70.2 | Confident | 52 Ų | 52 | 68.3 Ų | 68.3 | 24% | 0.243 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | 125.1 | -178.6 | -66.2 | 179.6 | 70 | 0 | 0 | 111.3 | D1387 R1391 Q1413 N1579 | D1387-Q1389 VanDerWaalsContact OD1-CB 3.28Å; D1387-Q1389 WeakPolarHBondContact OD1-CB 3.12Å; D1387-Q1389 VanDerWaalsContact OD1-CG 3.27Å; D1387-Q1389 WeakPolarHBondContact OD1-CG 3.28Å; D1387-Q1389 PolarHBondContact OD1-N 3.42Å; Q1389-R1391 PolarHBondContact O-N 2.97Å; Q1389-Q1413 HydrophobicContact CG-CB 4.35Å; Q1389-N1579 PolarHBondContact NE2-OD1 3.12Å; Q1389-N1579 PolarHBondContact OE1-ND2 3.17Å |
| 1390 | N | 72.3 | Confident | 70.8 | Confident | 153 Ų | 153 | 70.5 Ų | 70.5 | 82% | 0.818 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | 13 | -172.5 | -37.2 | -85.1 | 0 | 0 | 0 | 114.6 | C1388 | C1388-N1390 PolarHBondContact O-N 2.98Š|
| 1391 | R | 79.7 | Confident | 71.3 | Confident | 97 Ų | 97 | 68.6 Ų | 68.6 | 37% | 0.366 | 33% | 0.333 | S | S | . | . | trans | -89.2 | 156.1 | 162.4 | -59.7 | -169.4 | -169.9 | -107.5 | 0.7 | 110 | D1387 C1388 Q1389 F1396 | D1387-R1391 WeakPolarHBondContact O-CD 3.02Å; D1387-R1391 PolarHBondContact O-NE 3.09Å; C1388-R1391 WeakPolarHBondContact O-CB 3.11Å; C1388-R1391 PolarHBondContact O-N 3.01Å; Q1389-R1391 PolarHBondContact O-N 2.97Å; R1391-F1396 HydrophobicContact CB-CE2 4Å; R1391-F1396 HydrophobicContact CB-CZ 3.81Å; R1391-F1396 HydrophobicContact CG-CZ 4.3Å | ||
| 1392 | E | 76.6 | Confident | 71.3 | Confident | 161 Ų | 161 | 74.4 Ų | 74.4 | 75% | 0.752 | 36% | 0.359 | S | S | * | . | trans | -77.6 | 160.3 | 170.1 | -61.1 | -170.5 | 170.2 | 0 | 0 | 110.5 | D1394 F1396 C1410 | E1392-D1394 PolarHBondContact O-N 3.34Å; E1392-F1396 WeakPolarHBondContact O-CE2 3.35Å; E1392-C1410 WeakPolarHBondContact O-CB 3.41Å | ||
| 1393 | D | 81.5 | Confident | 71.9 | Confident | 62 Ų | 62 | 66.9 Ų | 66.9 | 33% | 0.332 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -70.7 | 76.3 | 174.7 | -75.4 | -5.8 | 0 | 0 | 0 | 110.2 | C1410 Q1411 S1412 | D1393-C1410 WeakPolarHBondContact CA-O 3.3Å; D1393-Q1411 WeakPolarHBondContact OD1-CA 3.33Å; D1393-S1412 PolarHBondContact OD1-N 2.89Å |
| 1394 | D | 81.1 | Confident | 72.8 | Confident | 43 Ų | 43 | 64 Ų | 64 | 23% | 0.23 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -140 | -179 | -177.9 | -153.2 | -16.6 | 0 | 0 | 0 | 110.7 | E1392 F1396 C1410 R1431 | E1392-D1394 PolarHBondContact O-N 3.34Å; D1394-F1396 HydrophobicContact CB-CE2 4.16Å; D1394-F1396 HydrophobicContact CB-CZ 4.27Å; D1394-F1396 WeakPolarHBondContact O-CD2 3.16Å; D1394-F1396 WeakPolarHBondContact O-CE2 3.1Å; D1394-C1410 PolarHBondContact O-N 2.62Å; D1394-R1431 VanDerWaalsContact OD1-CD 3.3Å; D1394-R1431 WeakPolarHBondContact OD1-CD 3.33Å; D1394-R1431 IonicContact OD1-CZ 3.36Å; D1394-R1431 IonicContact OD1-NE 2.72Å; D1394-R1431 IonicContact OD1-NH1 2.78Å; D1394-R1431 PolarHBondContact OD1-NH1 2.8Å; D1394-R1431 IonicContact OD2-CZ 3.78Å; D1394-R1431 IonicContact OD2-NH1 3.19Å; D1394-R1431 PolarHBondContact OD2-NH1 2.99Å |
| 1395 | F | 84.5 | Confident | 74.1 | Confident | 20 Ų | 20 | 57 Ų | 57 | 9% | 0.088 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 126.1 | -177.8 | -48.7 | -46.1 | 0 | 0 | 0 | 111.6 | F1360 F1363 W1407 A1409 F1426 R1431 | F1360-F1395 HydrophobicContact CD1-CE2 4.38Å; F1360-F1395 AromaticContact CD1-CZ 3.77Å; F1360-F1395 HydrophobicContact CD1-CZ 3.77Å; F1360-F1395 AromaticContact CE1-CE1 3.74Å; F1360-F1395 HydrophobicContact CE1-CE1 3.74Å; F1360-F1395 HydrophobicContact CE1-CE2 4.17Å; F1360-F1395 AromaticContact CE1-CZ 3.31Å; F1360-F1395 HydrophobicContact CE1-CZ 3.31Å; F1360-F1395 AromaticContact CZ-CE1 3.89Å; F1360-F1395 HydrophobicContact CZ-CE1 3.89Å; F1360-F1395 AromaticContact CZ-CZ 3.81Å; F1360-F1395 HydrophobicContact CZ-CZ 3.81Å; F1363-F1395 HydrophobicContact CE2-CE2 4.4Å; F1395-W1407 HydrophobicContact CB-CE3 4.11Å; F1395-W1407 HydrophobicContact CB-CZ3 4.07Å; F1395-W1407 HydrophobicContact CD1-CE3 4.31Å; F1395-W1407 HydrophobicContact CD1-CH2 4.23Å; F1395-W1407 AromaticContact CD1-CZ3 3.49Å; F1395-W1407 HydrophobicContact CD1-CZ3 3.49Å; F1395-W1407 VanDerWaalsContact CD1-CZ3 3.49Å; F1395-W1407 HydrophobicContact CE1-CH2 4.48Å; F1395-W1407 HydrophobicContact CE1-CZ3 4.1Å; F1395-W1407 HydrophobicContact CG-CE3 4.4Å; F1395-W1407 AromaticContact CG-CZ3 3.85Å; F1395-W1407 HydrophobicContact CG-CZ3 3.85Å; F1395-A1409 HydrophobicContact CD1-CB 4.12Å; F1395-A1409 HydrophobicContact CE1-CB 4.37Å; F1395-F1426 HydrophobicContact CB-CE2 4.15Å; F1395-F1426 HydrophobicContact CB-CZ 3.66Å; F1395-R1431 HydrophobicContact CD2-CB 4.39Å |
| 1396 | F | 81.8 | Confident | 74.7 | Confident | 32 Ų | 32 | 53.9 Ų | 53.9 | 14% | 0.14 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 144.8 | -174.4 | -62.4 | -86.8 | 0 | 0 | 0 | 112.2 | F1386 R1391 E1392 D1394 Y1408 C1410 M1428 | F1386-F1396 HydrophobicContact CE1-CB 3.94Å; F1386-F1396 HydrophobicContact CE1-CD2 4.21Å; F1386-F1396 HydrophobicContact CE1-CG 4.18Å; F1386-F1396 HydrophobicContact CE2-CB 4.26Å; F1386-F1396 HydrophobicContact CZ-CB 3.4Å; F1386-F1396 HydrophobicContact CZ-CD1 4.48Å; F1386-F1396 HydrophobicContact CZ-CD2 4.33Å; F1386-F1396 AromaticContact CZ-CG 3.83Å; F1386-F1396 HydrophobicContact CZ-CG 3.83Å; R1391-F1396 HydrophobicContact CB-CE2 4Å; R1391-F1396 HydrophobicContact CB-CZ 3.81Å; R1391-F1396 HydrophobicContact CG-CZ 4.3Å; E1392-F1396 WeakPolarHBondContact O-CE2 3.35Å; D1394-F1396 HydrophobicContact CB-CE2 4.16Å; D1394-F1396 HydrophobicContact CB-CZ 4.27Å; D1394-F1396 WeakPolarHBondContact O-CD2 3.16Å; D1394-F1396 WeakPolarHBondContact O-CE2 3.1Å; F1396-Y1408 PolarHBondContact N-O 3Å; F1396-Y1408 PolarHBondContact O-N 2.84Å; F1396-C1410 HydrophobicContact CD2-CB 4.25Å; F1396-C1410 VanDerWaalsContact CD2-SG 3.51Å; F1396-C1410 HydrophobicContact CE2-CB 3.92Å; F1396-C1410 WeakPolarHBondContact CE2-SG 3.49Å; F1396-M1428 HydrophobicContact CD1-CE 4.09Å |
| 1397 | Q | 78.8 | Confident | 75 | Confident | 29 Ų | 29 | 54.3 Ų | 54.3 | 14% | 0.136 | 27% | 0.272 | C | S | . | . | trans | -84.4 | 151.2 | 170 | -166.5 | 164.3 | -9.6 | 0 | 0 | 110.1 | L1401 E1402 C1403 F1426 M1428 | Q1397-L1401 WeakPolarHBondContact CG-O 3.34Å; Q1397-L1401 PolarHBondContact NE2-O 3.5Å; Q1397-E1402 PolarHBondContact NE2-O 2.93Å; Q1397-C1403 VanDerWaalsContact NE2-CA 3.27Å; Q1397-C1403 VanDerWaalsContact NE2-N 3.15Å; Q1397-F1426 HydrophobicContact CB-CD1 4.29Å; Q1397-M1428 HydrophobicContact CB-SD 3.92Å | ||
| 1398 | P | 72.1 | Confident | 75.6 | Confident | 9 Ų | 9 | 52.7 Ų | 52.7 | 6% | 0.058 | 26% | 0.262 | C | S | . | . | trans | -56.8 | 134.7 | 172.9 | -23.5 | 34.4 | 0 | 0 | 0 | 111.5 | E1400 L1401 S1406 Y1408 | P1398-E1400 PolarHBondContact O-N 3.15Å; P1398-E1400 VanDerWaalsContact O-N 3.08Å; P1398-L1401 HydrophobicContact CB-CB 4.44Å; P1398-L1401 HydrophobicContact CB-CD1 4.44Å; P1398-L1401 PolarHBondContact O-N 2.75Å; P1398-S1406 VanDerWaalsContact CD-O 3.32Å; P1398-S1406 WeakPolarHBondContact CD-O 3.44Å; P1398-S1406 WeakPolarHBondContact CG-O 3.48Å; P1398-Y1408 HydrophobicContact CB-CE2 3.86Å; P1398-Y1408 HydrophobicContact CG-CD2 4.23Å; P1398-Y1408 HydrophobicContact CG-CE2 3.73Å | ||
| 1399 | P | 58.9 | Low | 75.6 | Confident | 84 Ų | 84 | 53.1 Ų | 53.1 | 55% | 0.545 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -21.2 | -170.8 | -20.8 | 31.1 | 0 | 0 | 0 | 115 | F1386 | F1386-P1399 HydrophobicContact CD2-CG 4.32Å; F1386-P1399 HydrophobicContact CE2-CG 4.02Å |
| 1400 | E | 60.4 | Low | 76.3 | Confident | 108 Ų | 108 | 50.9 Ų | 50.9 | 51% | 0.505 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -15.2 | -174.2 | -53.4 | 67.1 | -140.4 | 0 | 0 | 113 | P1398 M1465 | P1398-E1400 PolarHBondContact O-N 3.15Å; P1398-E1400 VanDerWaalsContact O-N 3.08Å; E1400-M1465 HydrophobicContact CB-CE 4.36Å; E1400-M1465 HydrophobicContact CG-CE 4.28Å |
| 1401 | L | 60.1 | Low | 76.5 | Confident | 38 Ų | 38 | 46 Ų | 46 | 20% | 0.199 | 23% | 0.228 | C | C | . | . | trans | -123.2 | 104 | -166.7 | -70.6 | 173.2 | 0 | 0 | 0 | 111.8 | Q1397 P1398 C1403 | Q1397-L1401 WeakPolarHBondContact CG-O 3.34Å; Q1397-L1401 PolarHBondContact NE2-O 3.5Å; P1398-L1401 HydrophobicContact CB-CB 4.44Å; P1398-L1401 HydrophobicContact CB-CD1 4.44Å; P1398-L1401 PolarHBondContact O-N 2.75Å; L1401-C1403 PolarHBondContact O-N 2.89Å | ||
| 1402 | E | 60.5 | Low | 76.4 | Confident | 134 Ų | 134 | 45.6 Ų | 45.6 | 63% | 0.626 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -61.5 | -12.2 | 171.3 | -65.8 | -173.4 | -149.7 | 0 | 0 | 113.6 | Q1397 | Q1397-E1402 PolarHBondContact NE2-O 2.93Š|
| 1403 | C | 74.2 | Confident | 76.6 | Confident | 8 Ų | 8 | 42.3 Ų | 42.3 | 5% | 0.054 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -147.8 | 127.7 | 169.5 | -168 | 0 | 0 | 0 | 0 | 110.2 | Q1397 L1401 F1425 C1442 S1445 M1446 | Q1397-C1403 VanDerWaalsContact NE2-CA 3.27Å; Q1397-C1403 VanDerWaalsContact NE2-N 3.15Å; L1401-C1403 PolarHBondContact O-N 2.89Å; C1403-F1425 WeakPolarHBondContact SG-CD1 3.05Å; C1403-C1442 HydrophobicContact CB-CB 3.93Å; C1403-C1442 WeakPolarHBondContact CB-SG 3.17Å; C1403-C1442 WeakPolarHBondContact SG-CB 3.37Å; C1403-C1442 CovalentContact SG-SG 2.02Å; C1403-C1442 PolarHBondContact SG-SG 2.99Å; C1403-S1445 WeakPolarHBondContact CB-OG 3.21Å; C1403-M1446 WeakPolarHBondContact SG-CE 3.44Å |
| 1404 | S | 77.9 | Confident | 76 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 3% | 0.028 | 23% | 0.232 | C | C | . | . | trans | -144.7 | 144.1 | -178.2 | 176.8 | 0 | 0 | 0 | 0 | 113.1 | S1406 F1425 F1426 | S1404-S1406 VanDerWaalsContact C-N 3.34Å; S1404-S1406 VanDerWaalsContact CB-O 3.28Å; S1404-S1406 WeakPolarHBondContact CB-O 3.27Å; S1404-S1406 PolarHBondContact OG-N 2.79Å; S1404-S1406 VanDerWaalsContact OG-N 3.09Å; S1404-S1406 PolarHBondContact OG-O 3.34Å; S1404-F1425 WeakPolarHBondContact O-CD1 3.25Å; S1404-F1426 PolarHBondContact O-N 3.14Å | ||
| 1405 | P | 81 | Confident | 75.9 | Confident | 29 Ų | 29 | 42.4 Ų | 42.4 | 19% | 0.188 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -79.4 | -21.3 | 170.9 | 34 | -32 | 0 | 0 | 0 | 111.4 | T1419 C1420 F1425 | P1405-T1419 CarbonylContact O-C 3.57Å; P1405-T1419 WeakPolarHBondContact O-CA 3.45Å; P1405-C1420 WeakPolarHBondContact O-CB 3.33Å; P1405-C1420 PolarHBondContact O-N 3.23Å; P1405-F1425 HydrophobicContact CB-CD1 4.32Å; P1405-F1425 HydrophobicContact CB-CD2 4.21Å; P1405-F1425 HydrophobicContact CB-CE1 4.14Å; P1405-F1425 HydrophobicContact CB-CE2 3.96Å; P1405-F1425 HydrophobicContact CB-CG 4.36Å; P1405-F1425 HydrophobicContact CB-CZ 3.92Å; P1405-F1425 HydrophobicContact CG-CE1 4.1Å; P1405-F1425 HydrophobicContact CG-CZ 4Å; P1405-F1425 VanDerWaalsContact N-CD1 3.32Å |
| 1406 | S | 78.4 | Confident | 75.7 | Confident | 9 Ų | 9 | 43 Ų | 43 | 6% | 0.063 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 146.2 | 172.2 | -67.4 | 0 | 0 | 0 | 0 | 112 | P1398 S1404 R1417 L1418 T1419 | P1398-S1406 VanDerWaalsContact CD-O 3.32Å; P1398-S1406 WeakPolarHBondContact CD-O 3.44Å; P1398-S1406 WeakPolarHBondContact CG-O 3.48Å; S1404-S1406 VanDerWaalsContact C-N 3.34Å; S1404-S1406 VanDerWaalsContact CB-O 3.28Å; S1404-S1406 WeakPolarHBondContact CB-O 3.27Å; S1404-S1406 PolarHBondContact OG-N 2.79Å; S1404-S1406 VanDerWaalsContact OG-N 3.09Å; S1404-S1406 PolarHBondContact OG-O 3.34Å; S1406-R1417 PolarHBondContact OG-NE 3.49Å; S1406-R1417 VanDerWaalsContact OG-NE 3.13Å; S1406-R1417 PolarHBondContact OG-NH2 2.94Å; S1406-L1418 CarbonylContact C-O 3.55Å; S1406-L1418 WeakPolarHBondContact CA-O 3.02Å; S1406-L1418 WeakPolarHBondContact CB-O 3.41Å; S1406-T1419 PolarHBondContact OG-OG1 3.42Å |
| 1407 | W | 83.5 | Confident | 75.8 | Confident | 16 Ų | 16 | 45.6 Ų | 45.6 | 6% | 0.061 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 162 | 178.2 | 56.6 | -84.9 | 0 | 0 | 0 | 110.2 | F1395 A1409 L1418 F1426 | F1395-W1407 HydrophobicContact CB-CE3 4.11Å; F1395-W1407 HydrophobicContact CB-CZ3 4.07Å; F1395-W1407 HydrophobicContact CD1-CE3 4.31Å; F1395-W1407 HydrophobicContact CD1-CH2 4.23Å; F1395-W1407 AromaticContact CD1-CZ3 3.49Å; F1395-W1407 HydrophobicContact CD1-CZ3 3.49Å; F1395-W1407 VanDerWaalsContact CD1-CZ3 3.49Å; F1395-W1407 HydrophobicContact CE1-CH2 4.48Å; F1395-W1407 HydrophobicContact CE1-CZ3 4.1Å; F1395-W1407 HydrophobicContact CG-CE3 4.4Å; F1395-W1407 AromaticContact CG-CZ3 3.85Å; F1395-W1407 HydrophobicContact CG-CZ3 3.85Å; W1407-A1409 HydrophobicContact CZ3-CB 4.01Å; W1407-L1418 HydrophobicContact CD2-CB 4.1Å; W1407-L1418 HydrophobicContact CE3-CB 4.49Å; W1407-L1418 HydrophobicContact CE3-CD1 4.34Å; W1407-L1418 HydrophobicContact CH2-CB 4.19Å; W1407-L1418 HydrophobicContact CH2-CD1 3.97Å; W1407-L1418 HydrophobicContact CH2-CD2 3.85Å; W1407-L1418 HydrophobicContact CH2-CG 4.22Å; W1407-L1418 HydrophobicContact CZ2-CB 3.75Å; W1407-L1418 HydrophobicContact CZ2-CD1 4.41Å; W1407-L1418 HydrophobicContact CZ2-CD2 3.87Å; W1407-L1418 HydrophobicContact CZ2-CG 4.22Å; W1407-L1418 HydrophobicContact CZ3-CD1 3.93Å; W1407-L1418 PolarHBondContact N-O 3.38Å; W1407-L1418 PolarHBondContact O-N 2.86Å; W1407-L1418 VanDerWaalsContact O-O 3.13Å; W1407-F1426 HydrophobicContact CB-CB 3.84Å; W1407-F1426 HydrophobicContact CB-CD1 3.83Å; W1407-F1426 HydrophobicContact CB-CD2 3.78Å; W1407-F1426 HydrophobicContact CB-CE1 4.33Å; W1407-F1426 HydrophobicContact CB-CE2 4.3Å; W1407-F1426 HydrophobicContact CB-CG 3.52Å; W1407-F1426 AromaticContact CD1-CD2 3.56Å; W1407-F1426 AromaticContact CD1-CG 3.86Å; W1407-F1426 AromaticContact CD2-CD2 3.77Å; W1407-F1426 HydrophobicContact CD2-CD2 3.77Å; W1407-F1426 AromaticContact CD2-CE2 3.88Å; W1407-F1426 HydrophobicContact CD2-CE2 3.88Å; W1407-F1426 HydrophobicContact CD2-CG 4.45Å; W1407-F1426 HydrophobicContact CE3-CD2 4.48Å; W1407-F1426 HydrophobicContact CE3-CE2 4.15Å; W1407-F1426 HydrophobicContact CG-CB 3.99Å; W1407-F1426 HydrophobicContact CG-CD1 4.39Å; W1407-F1426 AromaticContact CG-CD2 3.42Å; W1407-F1426 HydrophobicContact CG-CD2 3.42Å; W1407-F1426 VanDerWaalsContact CG-CD2 3.42Å; W1407-F1426 AromaticContact CG-CE2 3.96Å; W1407-F1426 HydrophobicContact CG-CE2 3.96Å; W1407-F1426 AromaticContact CG-CG 3.67Å; W1407-F1426 HydrophobicContact CG-CG 3.67Å; W1407-F1426 AromaticContact NE1-CD2 3.93Å |
| 1408 | Y | 88.5 | Confident | 75.9 | Confident | 18 Ų | 18 | 44.8 Ų | 44.8 | 7% | 0.071 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 127.1 | -175.7 | -59.4 | -69.6 | 0 | 0 | 0 | 110.8 | V1381 E1385 F1386 F1396 P1398 F1416 R1417 | V1381-Y1408 HydrophobicContact CG1-CE1 4.22Å; V1381-Y1408 HydrophobicContact CG2-CD1 4.11Å; V1381-Y1408 HydrophobicContact CG2-CE1 4.02Å; E1385-Y1408 HydrophobicContact CG-CE1 4.19Å; E1385-Y1408 WeakPolarHBondContact CG-OH 3.27Å; F1386-Y1408 HydrophobicContact CB-CD1 3.79Å; F1386-Y1408 HydrophobicContact CB-CD2 3.79Å; F1386-Y1408 HydrophobicContact CB-CE1 3.86Å; F1386-Y1408 HydrophobicContact CB-CE2 3.83Å; F1386-Y1408 HydrophobicContact CB-CG 3.75Å; F1386-Y1408 HydrophobicContact CD1-CD2 4.04Å; F1386-Y1408 AromaticContact CD1-CG 3.83Å; F1386-Y1408 HydrophobicContact CD1-CG 3.83Å; F1386-Y1408 AromaticContact CD2-CD2 3.2Å; F1386-Y1408 HydrophobicContact CD2-CD2 3.2Å; F1386-Y1408 AromaticContact CD2-CE2 3.5Å; F1386-Y1408 HydrophobicContact CD2-CE2 3.5Å; F1386-Y1408 AromaticContact CD2-CG 3.86Å; F1386-Y1408 HydrophobicContact CD2-CG 3.86Å; F1386-Y1408 HydrophobicContact CE1-CD2 4.44Å; F1386-Y1408 HydrophobicContact CE1-CG 4.39Å; F1386-Y1408 AromaticContact CE2-CD2 3.69Å; F1386-Y1408 HydrophobicContact CE2-CD2 3.69Å; F1386-Y1408 HydrophobicContact CE2-CE2 4.29Å; F1386-Y1408 HydrophobicContact CE2-CG 4.41Å; F1386-Y1408 HydrophobicContact CG-CD1 4.1Å; F1386-Y1408 AromaticContact CG-CD2 3.39Å; F1386-Y1408 HydrophobicContact CG-CD2 3.39Å; F1386-Y1408 AromaticContact CG-CE2 3.84Å; F1386-Y1408 HydrophobicContact CG-CE2 3.84Å; F1386-Y1408 AromaticContact CG-CG 3.53Å; F1386-Y1408 HydrophobicContact CG-CG 3.53Å; F1386-Y1408 HydrophobicContact CZ-CD2 4.3Å; F1396-Y1408 PolarHBondContact N-O 3Å; F1396-Y1408 PolarHBondContact O-N 2.84Å; P1398-Y1408 HydrophobicContact CB-CE2 3.86Å; P1398-Y1408 HydrophobicContact CG-CD2 4.23Å; P1398-Y1408 HydrophobicContact CG-CE2 3.73Å; Y1408-F1416 CarbonylContact C-O 3.53Å; Y1408-F1416 VanDerWaalsContact CA-O 3.31Å; Y1408-F1416 WeakPolarHBondContact CA-O 3.02Å; Y1408-R1417 HydrophobicContact CD1-CB 4Å; Y1408-R1417 HydrophobicContact CD1-CG 4.41Å; Y1408-R1417 HydrophobicContact CE1-CB 3.88Å; Y1408-R1417 HydrophobicContact CE1-CG 4.06Å |
| 1409 | A | 83.2 | Confident | 76.5 | Confident | 9 Ų | 9 | 48.4 Ų | 48.4 | 7% | 0.074 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 127.5 | 165 | 0 | 0 | 0 | 0 | 0 | 109.2 | F1395 W1407 A1415 F1416 L1418 | F1395-A1409 HydrophobicContact CD1-CB 4.12Å; F1395-A1409 HydrophobicContact CE1-CB 4.37Å; W1407-A1409 HydrophobicContact CZ3-CB 4.01Å; A1409-A1415 WeakPolarHBondContact O-CA 3.29Å; A1409-F1416 PolarHBondContact N-O 2.9Å; A1409-F1416 PolarHBondContact O-N 2.02Å; A1409-L1418 HydrophobicContact CB-CD1 3.83Å |
| 1410 | C | 87.3 | Confident | 77.5 | Confident | 5 Ų | 5 | 44.9 Ų | 44.9 | 3% | 0.034 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 128.9 | 161.8 | -67.2 | 0 | 0 | 0 | 0 | 109.6 | C1388 E1392 D1393 D1394 F1396 | C1388-C1410 HydrophobicContact CB-CB 3.78Å; C1388-C1410 WeakPolarHBondContact CB-SG 3.26Å; C1388-C1410 WeakPolarHBondContact SG-CA 3.44Å; C1388-C1410 WeakPolarHBondContact SG-CB 3.48Å; C1388-C1410 CovalentContact SG-SG 2.04Å; C1388-C1410 PolarHBondContact SG-SG 2.78Å; E1392-C1410 WeakPolarHBondContact O-CB 3.41Å; D1393-C1410 WeakPolarHBondContact CA-O 3.3Å; D1394-C1410 PolarHBondContact O-N 2.62Å; F1396-C1410 HydrophobicContact CD2-CB 4.25Å; F1396-C1410 VanDerWaalsContact CD2-SG 3.51Å; F1396-C1410 HydrophobicContact CE2-CB 3.92Å; F1396-C1410 WeakPolarHBondContact CE2-SG 3.49Å |
| 1411 | Q | 77.3 | Confident | 78.3 | Confident | 50 Ų | 50 | 43 Ų | 43 | 23% | 0.234 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 124.2 | 165.2 | -166.4 | -171.4 | 9.4 | 0 | 0 | 110.2 | L1356 D1393 Q1413 Q1414 F1416 | L1356-Q1411 VanDerWaalsContact CD2-CD 3.48Å; L1356-Q1411 HydrophobicContact CD2-CG 4.36Å; D1393-Q1411 WeakPolarHBondContact OD1-CA 3.33Å; Q1411-Q1413 PolarHBondContact O-N 2.99Å; Q1411-Q1414 PolarHBondContact N-O 3.41Å; Q1411-Q1414 PolarHBondContact O-N 3.17Å; Q1411-F1416 HydrophobicContact CB-CE2 4.39Å |
| 1412 | S | 77.5 | Confident | 78.6 | Confident | 90 Ų | 90 | 49.4 Ų | 49.4 | 63% | 0.629 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 40.5 | 178 | -58.2 | 0 | 0 | 0 | 0 | 113.1 | D1393 Q1414 | D1393-S1412 PolarHBondContact OD1-N 2.89Å; S1412-Q1414 PolarHBondContact O-N 3.43Å |
| 1413 | Q | 79.1 | Confident | 78.7 | Confident | 91 Ų | 91 | 45.7 Ų | 45.7 | 43% | 0.425 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67 | 4.2 | -176.1 | -48.9 | -115.3 | 113.9 | 0 | 0 | 115.7 | C1388 Q1389 Q1411 | C1388-Q1413 WeakPolarHBondContact CB-O 3.42Å; Q1389-Q1413 HydrophobicContact CG-CB 4.35Å; Q1411-Q1413 PolarHBondContact O-N 2.99Å |
| 1414 | Q | 70.8 | Confident | 79 | Confident | 103 Ų | 103 | 48 Ų | 48 | 48% | 0.481 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 136.9 | 171.4 | -169 | 167.5 | 20.3 | 0 | 0 | 110.3 | Q1411 S1412 F1416 | Q1411-Q1414 PolarHBondContact N-O 3.41Å; Q1411-Q1414 PolarHBondContact O-N 3.17Å; S1412-Q1414 PolarHBondContact O-N 3.43Å; Q1414-F1416 HydrophobicContact CB-CE2 3.98Å; Q1414-F1416 HydrophobicContact CB-CZ 4.25Å; Q1414-F1416 HydrophobicContact CG-CE1 4.49Å; Q1414-F1416 HydrophobicContact CG-CE2 3.93Å; Q1414-F1416 HydrophobicContact CG-CZ 3.82Å |
| 1415 | A | 79 | Confident | 79.2 | Confident | 4 Ų | 4 | 48.9 Ų | 48.9 | 3% | 0.033 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 143.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | V1381 F1386 C1388 A1409 | V1381-A1415 HydrophobicContact CB-CB 3.74Å; V1381-A1415 HydrophobicContact CG1-CB 3.99Å; V1381-A1415 PolarHBondContact N-O 3.18Å; F1386-A1415 HydrophobicContact CB-CB 4.29Å; F1386-A1415 HydrophobicContact CD1-CB 4.12Å; F1386-A1415 VanDerWaalsContact O-CB 3.23Å; F1386-A1415 WeakPolarHBondContact O-CB 3.46Å; C1388-A1415 HydrophobicContact CB-CB 4.42Å; C1388-A1415 VanDerWaalsContact SG-CA 3.58Å; C1388-A1415 VanDerWaalsContact SG-CB 3.56Å; A1409-A1415 WeakPolarHBondContact O-CA 3.29Å |
| 1416 | F | 79.8 | Confident | 79.3 | Confident | 34 Ų | 34 | 47.6 Ų | 47.6 | 15% | 0.149 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 131.3 | 170.6 | -60 | -89.5 | 0 | 0 | 0 | 109.3 | F1378 S1379 P1380 Y1408 A1409 Q1411 Q1414 L1418 | F1378-F1416 HydrophobicContact CB-CD1 4.04Å; F1378-F1416 HydrophobicContact CD1-CB 4.3Å; F1378-F1416 HydrophobicContact CD1-CG 4.46Å; S1379-F1416 WeakPolarHBondContact O-CA 3.01Å; P1380-F1416 HydrophobicContact CB-CD1 4.24Å; P1380-F1416 HydrophobicContact CB-CE1 4.01Å; Y1408-F1416 CarbonylContact C-O 3.53Å; Y1408-F1416 VanDerWaalsContact CA-O 3.31Å; Y1408-F1416 WeakPolarHBondContact CA-O 3.02Å; A1409-F1416 PolarHBondContact N-O 2.9Å; A1409-F1416 PolarHBondContact O-N 2.02Å; Q1411-F1416 HydrophobicContact CB-CE2 4.39Å; Q1414-F1416 HydrophobicContact CB-CE2 3.98Å; Q1414-F1416 HydrophobicContact CB-CZ 4.25Å; Q1414-F1416 HydrophobicContact CG-CE1 4.49Å; Q1414-F1416 HydrophobicContact CG-CE2 3.93Å; Q1414-F1416 HydrophobicContact CG-CZ 3.82Å; F1416-L1418 HydrophobicContact CB-CD1 4.31Å |
| 1417 | R | 83.5 | Confident | 79.3 | Confident | 86 Ų | 86 | 48.5 Ų | 48.5 | 33% | 0.325 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 127.5 | 176.5 | 179.9 | 170.3 | 167.5 | -139.3 | -5.1 | 109.5 | S1379 V1381 E1385 S1406 Y1408 | S1379-R1417 PolarHBondContact O-N 2.84Å; V1381-R1417 HydrophobicContact CG2-CB 3.41Å; V1381-R1417 VanDerWaalsContact CG2-CB 3.41Å; E1385-R1417 WeakPolarHBondContact OE1-CD 3.27Å; S1406-R1417 PolarHBondContact OG-NE 3.49Å; S1406-R1417 VanDerWaalsContact OG-NE 3.13Å; S1406-R1417 PolarHBondContact OG-NH2 2.94Å; Y1408-R1417 HydrophobicContact CD1-CB 4Å; Y1408-R1417 HydrophobicContact CD1-CG 4.41Å; Y1408-R1417 HydrophobicContact CE1-CB 3.88Å; Y1408-R1417 HydrophobicContact CE1-CG 4.06Å |
| 1418 | L | 80.4 | Confident | 79.1 | Confident | 12 Ų | 12 | 52 Ų | 52 | 6% | 0.063 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 154.4 | 170.4 | -65.4 | 95.6 | 0 | 0 | 0 | 109.1 | M1376 F1378 S1406 W1407 A1409 F1416 | M1376-L1418 HydrophobicContact SD-CD2 4.22Å; F1378-L1418 HydrophobicContact CD1-CD1 4.44Å; F1378-L1418 HydrophobicContact CD1-CD2 4.44Å; F1378-L1418 HydrophobicContact CE1-CD1 4.45Å; F1378-L1418 HydrophobicContact CE1-CD2 4.02Å; S1406-L1418 CarbonylContact C-O 3.55Å; S1406-L1418 WeakPolarHBondContact CA-O 3.02Å; S1406-L1418 WeakPolarHBondContact CB-O 3.41Å; W1407-L1418 HydrophobicContact CD2-CB 4.1Å; W1407-L1418 HydrophobicContact CE3-CB 4.49Å; W1407-L1418 HydrophobicContact CE3-CD1 4.34Å; W1407-L1418 HydrophobicContact CH2-CB 4.19Å; W1407-L1418 HydrophobicContact CH2-CD1 3.97Å; W1407-L1418 HydrophobicContact CH2-CD2 3.85Å; W1407-L1418 HydrophobicContact CH2-CG 4.22Å; W1407-L1418 HydrophobicContact CZ2-CB 3.75Å; W1407-L1418 HydrophobicContact CZ2-CD1 4.41Å; W1407-L1418 HydrophobicContact CZ2-CD2 3.87Å; W1407-L1418 HydrophobicContact CZ2-CG 4.22Å; W1407-L1418 HydrophobicContact CZ3-CD1 3.93Å; W1407-L1418 PolarHBondContact N-O 3.38Å; W1407-L1418 PolarHBondContact O-N 2.86Å; W1407-L1418 VanDerWaalsContact O-O 3.13Å; A1409-L1418 HydrophobicContact CB-CD1 3.83Å; F1416-L1418 HydrophobicContact CB-CD1 4.31Å |
| 1419 | T | 84.4 | Confident | 78.4 | Confident | 85 Ų | 85 | 55.9 Ų | 55.9 | 52% | 0.521 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 136 | 173.9 | -57.2 | 0 | 0 | 0 | 0 | 108.4 | P1405 S1406 | P1405-T1419 CarbonylContact O-C 3.57Å; P1405-T1419 WeakPolarHBondContact O-CA 3.45Å; S1406-T1419 PolarHBondContact OG-OG1 3.42Å |
| 1420 | C | 81.1 | Confident | 78.3 | Confident | 9 Ų | 9 | 58.3 Ų | 58.3 | 6% | 0.061 | 34% | 0.343 | C | S | . | . | trans | -62.2 | 152.5 | 174.9 | -74.6 | 0 | 0 | 0 | 0 | 111.4 | P1405 L1424 C1433 | P1405-C1420 WeakPolarHBondContact O-CB 3.33Å; P1405-C1420 PolarHBondContact O-N 3.23Å; C1420-L1424 HydrophobicContact CB-CB 4.16Å; C1420-L1424 WeakPolarHBondContact CB-O 3.37Å; C1420-C1433 WeakPolarHBondContact CA-SG 3.07Å; C1420-C1433 HydrophobicContact CB-CB 3.68Å; C1420-C1433 WeakPolarHBondContact CB-SG 3.17Å; C1420-C1433 WeakPolarHBondContact SG-CB 3.34Å; C1420-C1433 CovalentContact SG-SG 2.04Å; C1420-C1433 PolarHBondContact SG-SG 3.13Å | ||
| 1421 | P | 76.4 | Confident | 78 | Confident | 69 Ų | 69 | 63.7 Ų | 63.7 | 45% | 0.448 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -56.9 | 153.5 | 172.3 | -23.3 | 34.1 | 0 | 0 | 0 | 112.3 | G1423 L1424 | P1421-G1423 PolarHBondContact O-N 2.8Å; P1421-L1424 HydrophobicContact CB-CD1 4.35Å; P1421-L1424 HydrophobicContact CG-CD1 4.49Å; P1421-L1424 WeakPolarHBondContact O-CB 3.48Å; P1421-L1424 PolarHBondContact O-N 3.08Å |
| 1422 | D | 67.3 | Low | 78 | Confident | 173 Ų | 173 | 64.3 Ų | 64.3 | 93% | 0.925 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -40.5 | 116.3 | -170.6 | -58.8 | -33.9 | 0 | 0 | 0 | 114.2 | L1424 | D1422-L1424 VanDerWaalsContact C-N 3.35Å; D1422-L1424 PolarHBondContact O-N 3.24Å |
| 1423 | G | 63 | Low | 78.4 | Confident | 56 Ų | 56 | 61 Ų | 61 | 58% | 0.577 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.8 | -2 | 177 | 0 | 0 | 0 | 0 | 0 | 116.3 | P1421 P1436 | P1421-G1423 PolarHBondContact O-N 2.8Å; G1423-P1436 WeakPolarHBondContact O-CD 3.47Å; G1423-P1436 WeakPolarHBondContact O-CG 3.42Å |
| 1424 | L | 79.5 | Confident | 78.7 | Confident | 57 Ų | 57 | 57.4 Ų | 57.4 | 30% | 0.298 | 33% | 0.329 | S | S | . | . | trans | -94.1 | 151.8 | 172.6 | -56.5 | -179.8 | 0 | 0 | 0 | 111.5 | C1420 P1421 D1422 C1433 T1434 A1435 | C1420-L1424 HydrophobicContact CB-CB 4.16Å; C1420-L1424 WeakPolarHBondContact CB-O 3.37Å; P1421-L1424 HydrophobicContact CB-CD1 4.35Å; P1421-L1424 HydrophobicContact CG-CD1 4.49Å; P1421-L1424 WeakPolarHBondContact O-CB 3.48Å; P1421-L1424 PolarHBondContact O-N 3.08Å; D1422-L1424 VanDerWaalsContact C-N 3.35Å; D1422-L1424 PolarHBondContact O-N 3.24Å; L1424-C1433 HydrophobicContact CB-CB 3.97Å; L1424-C1433 HydrophobicContact CD1-CB 4.29Å; L1424-T1434 WeakPolarHBondContact CA-O 3.19Å; L1424-A1435 HydrophobicContact CD2-CB 4.33Å | ||
| 1425 | F | 82.8 | Confident | 79 | Confident | 22 Ų | 22 | 53.9 Ų | 53.9 | 10% | 0.096 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 152.3 | -177.4 | -84.7 | -120.3 | 0 | 0 | 0 | 110.9 | C1403 S1404 P1405 D1427 C1433 T1434 P1436 L1439 M1446 | C1403-F1425 WeakPolarHBondContact SG-CD1 3.05Å; S1404-F1425 WeakPolarHBondContact O-CD1 3.25Å; P1405-F1425 HydrophobicContact CB-CD1 4.32Å; P1405-F1425 HydrophobicContact CB-CD2 4.21Å; P1405-F1425 HydrophobicContact CB-CE1 4.14Å; P1405-F1425 HydrophobicContact CB-CE2 3.96Å; P1405-F1425 HydrophobicContact CB-CG 4.36Å; P1405-F1425 HydrophobicContact CB-CZ 3.92Å; P1405-F1425 HydrophobicContact CG-CE1 4.1Å; P1405-F1425 HydrophobicContact CG-CZ 4Å; P1405-F1425 VanDerWaalsContact N-CD1 3.32Å; F1425-D1427 PolarHBondContact O-N 3.35Å; F1425-C1433 CarbonylContact O-C 3.48Å; F1425-C1433 WeakPolarHBondContact O-CA 3.39Å; F1425-T1434 PolarHBondContact N-O 3.13Å; F1425-T1434 PolarHBondContact O-N 3.47Å; F1425-P1436 HydrophobicContact CD2-CG 4.39Å; F1425-L1439 HydrophobicContact CB-CD1 4.36Å; F1425-M1446 HydrophobicContact CB-CE 3.66Å; F1425-M1446 HydrophobicContact CD1-CE 3.37Å; F1425-M1446 HydrophobicContact CD1-SD 3.94Å; F1425-M1446 HydrophobicContact CD2-CE 3.36Å; F1425-M1446 HydrophobicContact CD2-SD 3.58Å; F1425-M1446 VanDerWaalsContact CD2-SD 3.58Å; F1425-M1446 HydrophobicContact CE1-CE 3.74Å; F1425-M1446 HydrophobicContact CE1-CG 4.03Å; F1425-M1446 HydrophobicContact CE1-SD 3.66Å; F1425-M1446 HydrophobicContact CE2-CE 3.78Å; F1425-M1446 HydrophobicContact CE2-SD 3.32Å; F1425-M1446 WeakPolarHBondContact CE2-SD 3.08Å; F1425-M1446 HydrophobicContact CG-CE 3.17Å; F1425-M1446 HydrophobicContact CG-SD 3.92Å; F1425-M1446 HydrophobicContact CZ-CE 3.96Å; F1425-M1446 HydrophobicContact CZ-CG 4.1Å; F1425-M1446 HydrophobicContact CZ-SD 3.36Å; F1425-M1446 WeakPolarHBondContact CZ-SD 3.33Å |
| 1426 | F | 82.1 | Confident | 78.5 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 0% | 0.004 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 114.5 | -173.5 | -177.3 | -100.1 | 0 | 0 | 0 | 111.9 | F1395 Q1397 S1404 W1407 M1428 R1431 | F1395-F1426 HydrophobicContact CB-CE2 4.15Å; F1395-F1426 HydrophobicContact CB-CZ 3.66Å; Q1397-F1426 HydrophobicContact CB-CD1 4.29Å; S1404-F1426 PolarHBondContact O-N 3.14Å; W1407-F1426 HydrophobicContact CB-CB 3.84Å; W1407-F1426 HydrophobicContact CB-CD1 3.83Å; W1407-F1426 HydrophobicContact CB-CD2 3.78Å; W1407-F1426 HydrophobicContact CB-CE1 4.33Å; W1407-F1426 HydrophobicContact CB-CE2 4.3Å; W1407-F1426 HydrophobicContact CB-CG 3.52Å; W1407-F1426 AromaticContact CD1-CD2 3.56Å; W1407-F1426 AromaticContact CD1-CG 3.86Å; W1407-F1426 AromaticContact CD2-CD2 3.77Å; W1407-F1426 HydrophobicContact CD2-CD2 3.77Å; W1407-F1426 AromaticContact CD2-CE2 3.88Å; W1407-F1426 HydrophobicContact CD2-CE2 3.88Å; W1407-F1426 HydrophobicContact CD2-CG 4.45Å; W1407-F1426 HydrophobicContact CE3-CD2 4.48Å; W1407-F1426 HydrophobicContact CE3-CE2 4.15Å; W1407-F1426 HydrophobicContact CG-CB 3.99Å; W1407-F1426 HydrophobicContact CG-CD1 4.39Å; W1407-F1426 AromaticContact CG-CD2 3.42Å; W1407-F1426 HydrophobicContact CG-CD2 3.42Å; W1407-F1426 VanDerWaalsContact CG-CD2 3.42Å; W1407-F1426 AromaticContact CG-CE2 3.96Å; W1407-F1426 HydrophobicContact CG-CE2 3.96Å; W1407-F1426 AromaticContact CG-CG 3.67Å; W1407-F1426 HydrophobicContact CG-CG 3.67Å; W1407-F1426 AromaticContact NE1-CD2 3.93Å; F1426-M1428 HydrophobicContact CD1-CB 4.44Å; F1426-M1428 HydrophobicContact CE1-CB 4.01Å; F1426-M1428 HydrophobicContact CE1-CG 4.28Å; F1426-R1431 HydrophobicContact CZ-CG 4.41Å |
| 1427 | D | 80.1 | Confident | 77.9 | Confident | 29 Ų | 29 | 59.1 Ų | 59.1 | 16% | 0.155 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 108.2 | 172.1 | -177.3 | -17.5 | 0 | 0 | 0 | 109.9 | F1425 A1429 A1430 R1431 N1432 T1434 L1439 | F1425-D1427 PolarHBondContact O-N 3.35Å; D1427-A1429 VanDerWaalsContact C-N 3.26Å; D1427-A1429 PolarHBondContact O-N 2.8Å; D1427-A1429 WeakPolarHBondContact OD1-CA 3.47Å; D1427-A1429 WeakPolarHBondContact OD1-CB 3.32Å; D1427-A1429 PolarHBondContact OD1-N 2.78Å; D1427-A1430 HydrophobicContact CB-CB 3.96Å; D1427-A1430 VanDerWaalsContact CG-CB 3.48Å; D1427-A1430 PolarHBondContact O-N 3.23Å; D1427-A1430 PolarHBondContact OD1-N 3.26Å; D1427-A1430 VanDerWaalsContact OD2-CB 3.28Å; D1427-A1430 WeakPolarHBondContact OD2-CB 3.42Å; D1427-R1431 WeakPolarHBondContact O-CA 3.36Å; D1427-R1431 PolarHBondContact O-N 3.37Å; D1427-N1432 WeakPolarHBondContact CB-O 3.35Å; D1427-N1432 PolarHBondContact N-O 2.73Å; D1427-N1432 PolarHBondContact O-N 2.04Å; D1427-T1434 HydrophobicContact CB-CG2 4.29Å; D1427-T1434 WeakPolarHBondContact CB-OG1 3.48Å; D1427-L1439 HydrophobicContact CB-CD2 3.47Å; D1427-L1439 VanDerWaalsContact CB-CD2 3.47Å; D1427-L1439 HydrophobicContact CB-CG 3.95Å |
| 1428 | M | 78.1 | Confident | 77.5 | Confident | 90 Ų | 90 | 61.6 Ų | 61.6 | 44% | 0.443 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -18.9 | 178.2 | -166 | 172.7 | -171.2 | 0 | 0 | 113.4 | F1396 Q1397 F1426 | F1396-M1428 HydrophobicContact CD1-CE 4.09Å; Q1397-M1428 HydrophobicContact CB-SD 3.92Å; F1426-M1428 HydrophobicContact CD1-CB 4.44Å; F1426-M1428 HydrophobicContact CE1-CB 4.01Å; F1426-M1428 HydrophobicContact CE1-CG 4.28Å |
| 1429 | A | 74.9 | Confident | 77 | Confident | 98 Ų | 98 | 61.8 Ų | 61.8 | 81% | 0.81 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -40.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | D1427 | D1427-A1429 VanDerWaalsContact C-N 3.26Å; D1427-A1429 PolarHBondContact O-N 2.8Å; D1427-A1429 WeakPolarHBondContact OD1-CA 3.47Å; D1427-A1429 WeakPolarHBondContact OD1-CB 3.32Å; D1427-A1429 PolarHBondContact OD1-N 2.78Å |
| 1430 | A | 80.6 | Confident | 75.8 | Confident | 60 Ų | 60 | 61 Ų | 61 | 50% | 0.496 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -18.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | D1427 N1432 | D1427-A1430 HydrophobicContact CB-CB 3.96Å; D1427-A1430 VanDerWaalsContact CG-CB 3.48Å; D1427-A1430 PolarHBondContact O-N 3.23Å; D1427-A1430 PolarHBondContact OD1-N 3.26Å; D1427-A1430 VanDerWaalsContact OD2-CB 3.28Å; D1427-A1430 WeakPolarHBondContact OD2-CB 3.42Å; A1430-N1432 VanDerWaalsContact C-N 3.31Å; A1430-N1432 HydrophobicContact CB-CB 4.43Å; A1430-N1432 PolarHBondContact O-N 3.43Å |
| 1431 | R | 80.3 | Confident | 74.8 | Confident | 118 Ų | 118 | 65.4 Ų | 65.4 | 45% | 0.445 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 47.4 | -168.5 | -78.4 | -177.4 | -80.7 | -172.4 | -15.8 | 113 | F1363 D1394 F1395 F1426 D1427 | F1363-R1431 WeakPolarHBondContact CZ-O 3.48Å; D1394-R1431 VanDerWaalsContact OD1-CD 3.3Å; D1394-R1431 WeakPolarHBondContact OD1-CD 3.33Å; D1394-R1431 IonicContact OD1-CZ 3.36Å; D1394-R1431 IonicContact OD1-NE 2.72Å; D1394-R1431 IonicContact OD1-NH1 2.78Å; D1394-R1431 PolarHBondContact OD1-NH1 2.8Å; D1394-R1431 IonicContact OD2-CZ 3.78Å; D1394-R1431 IonicContact OD2-NH1 3.19Å; D1394-R1431 PolarHBondContact OD2-NH1 2.99Å; F1395-R1431 HydrophobicContact CD2-CB 4.39Å; F1426-R1431 HydrophobicContact CZ-CG 4.41Å; D1427-R1431 WeakPolarHBondContact O-CA 3.36Å; D1427-R1431 PolarHBondContact O-N 3.37Å |
| 1432 | N | 78.3 | Confident | 74 | Confident | 64 Ų | 64 | 62.1 Ų | 62.1 | 34% | 0.342 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 159.9 | -177.5 | -177.3 | 34.1 | 0 | 0 | 0 | 110.5 | F1363 D1427 A1430 T1434 | F1363-N1432 WeakPolarHBondContact CD1-OD1 3.31Å; F1363-N1432 HydrophobicContact CE1-CB 4.21Å; F1363-N1432 WeakPolarHBondContact CE1-OD1 3.48Å; D1427-N1432 WeakPolarHBondContact CB-O 3.35Å; D1427-N1432 PolarHBondContact N-O 2.73Å; D1427-N1432 PolarHBondContact O-N 2.04Å; A1430-N1432 VanDerWaalsContact C-N 3.31Å; A1430-N1432 HydrophobicContact CB-CB 4.43Å; A1430-N1432 PolarHBondContact O-N 3.43Å; N1432-T1434 HydrophobicContact CB-CG2 4.49Å; N1432-T1434 PolarHBondContact O-N 3.16Å |
| 1433 | C | 85.9 | Confident | 73.3 | Confident | 19 Ų | 19 | 59.9 Ų | 59.9 | 13% | 0.128 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 113.5 | 166.4 | -61.7 | 0 | 0 | 0 | 0 | 109.2 | C1420 L1424 F1425 | C1420-C1433 WeakPolarHBondContact CA-SG 3.07Å; C1420-C1433 HydrophobicContact CB-CB 3.68Å; C1420-C1433 WeakPolarHBondContact CB-SG 3.17Å; C1420-C1433 WeakPolarHBondContact SG-CB 3.34Å; C1420-C1433 CovalentContact SG-SG 2.04Å; C1420-C1433 PolarHBondContact SG-SG 3.13Å; L1424-C1433 HydrophobicContact CB-CB 3.97Å; L1424-C1433 HydrophobicContact CD1-CB 4.29Å; F1425-C1433 CarbonylContact O-C 3.48Å; F1425-C1433 WeakPolarHBondContact O-CA 3.39Å |
| 1434 | T | 84.1 | Confident | 72.4 | Confident | 17 Ų | 17 | 66 Ų | 66 | 10% | 0.104 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 171.3 | 177.8 | 58.1 | 0 | 0 | 0 | 0 | 110.7 | L1424 F1425 D1427 N1432 L1439 | L1424-T1434 WeakPolarHBondContact CA-O 3.19Å; F1425-T1434 PolarHBondContact N-O 3.13Å; F1425-T1434 PolarHBondContact O-N 3.47Å; D1427-T1434 HydrophobicContact CB-CG2 4.29Å; D1427-T1434 WeakPolarHBondContact CB-OG1 3.48Å; N1432-T1434 HydrophobicContact CB-CG2 4.49Å; N1432-T1434 PolarHBondContact O-N 3.16Å; T1434-L1439 WeakPolarHBondContact OG1-CD1 3.31Å |
| 1435 | A | 78.6 | Confident | 70.9 | Confident | 29 Ų | 29 | 65.2 Ų | 65.2 | 24% | 0.24 | 37% | 0.37 | C | S | . | . | trans | -73.8 | 144.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | L1424 T1437 E1438 | L1424-A1435 HydrophobicContact CD2-CB 4.33Å; A1435-T1437 PolarHBondContact O-N 2.85Å; A1435-E1438 HydrophobicContact CB-CG 4.31Å; A1435-E1438 PolarHBondContact O-N 3.22Å | ||
| 1436 | P | 66.5 | Low | 69 | Low | 39 Ų | 39 | 65.8 Ų | 65.8 | 25% | 0.253 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -42.1 | -37.2 | 177.7 | -33.5 | 33 | 0 | 0 | 0 | 115.9 | G1423 F1425 M1446 | G1423-P1436 WeakPolarHBondContact O-CD 3.47Å; G1423-P1436 WeakPolarHBondContact O-CG 3.42Å; F1425-P1436 HydrophobicContact CD2-CG 4.39Å; P1436-M1446 VanDerWaalsContact CA-CE 3.43Å; P1436-M1446 HydrophobicContact CB-CE 3.31Å; P1436-M1446 HydrophobicContact CB-SD 3.62Å; P1436-M1446 HydrophobicContact CG-CE 3.54Å; P1436-M1446 HydrophobicContact CG-SD 3.62Å |
| 1437 | T | 68.1 | Low | 67.1 | Low | 109 Ų | 109 | 68.8 Ų | 68.8 | 67% | 0.669 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -9.3 | -176.2 | 51.8 | 0 | 0 | 0 | 0 | 114.8 | A1435 | A1435-T1437 PolarHBondContact O-N 2.85Š|
| 1438 | E | 74.1 | Confident | 65.9 | Low | 138 Ų | 138 | 68.9 Ų | 68.9 | 65% | 0.645 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | -25.7 | -178.8 | -63.2 | -172.5 | 139.2 | 0 | 0 | 112.9 | A1435 A1440 | A1435-E1438 HydrophobicContact CB-CG 4.31Å; A1435-E1438 PolarHBondContact O-N 3.22Å; E1438-A1440 PolarHBondContact O-N 3.11Å |
| 1439 | L | 69.9 | Low | 64.7 | Low | 15 Ų | 15 | 67.9 Ų | 67.9 | 8% | 0.079 | 39% | 0.387 | C | S | . | . | trans | -80.7 | 111.1 | 174.1 | -64.9 | 106.9 | 0 | 0 | 0 | 110.6 | F1425 D1427 T1434 N1441 C1442 Q1443 | F1425-L1439 HydrophobicContact CB-CD1 4.36Å; D1427-L1439 HydrophobicContact CB-CD2 3.47Å; D1427-L1439 VanDerWaalsContact CB-CD2 3.47Å; D1427-L1439 HydrophobicContact CB-CG 3.95Å; T1434-L1439 WeakPolarHBondContact OG1-CD1 3.31Å; L1439-N1441 PolarHBondContact O-N 3.45Å; L1439-C1442 HydrophobicContact CB-CB 3.69Å; L1439-C1442 WeakPolarHBondContact CB-SG 3.18Å; L1439-C1442 HydrophobicContact CD1-CB 4.45Å; L1439-C1442 VanDerWaalsContact CD2-SG 3.59Å; L1439-C1442 PolarHBondContact O-N 2.76Å; L1439-Q1443 PolarHBondContact O-N 2.92Å | ||
| 1440 | A | 61.1 | Low | 63.8 | Low | 70 Ų | 70 | 68.2 Ų | 68.2 | 58% | 0.579 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -38.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | E1438 Q1443 | E1438-A1440 PolarHBondContact O-N 3.11Å; A1440-Q1443 PolarHBondContact O-N 3.28Å |
| 1441 | N | 58.8 | Low | 63.2 | Low | 100 Ų | 100 | 68.1 Ų | 68.1 | 54% | 0.535 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -33.2 | 177.4 | -67.4 | 41.2 | 0 | 0 | 0 | 112.7 | L1439 Q1443 E1444 | L1439-N1441 PolarHBondContact O-N 3.45Å; N1441-Q1443 PolarHBondContact O-N 2.71Å; N1441-E1444 PolarHBondContact O-N 3.22Å |
| 1442 | C | 59.2 | Low | 63.1 | Low | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.007 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -71.8 | -19 | 175.7 | -60.6 | 0 | 0 | 0 | 0 | 112.8 | C1403 L1439 E1444 S1445 M1446 | C1403-C1442 HydrophobicContact CB-CB 3.93Å; C1403-C1442 WeakPolarHBondContact CB-SG 3.17Å; C1403-C1442 WeakPolarHBondContact SG-CB 3.37Å; C1403-C1442 CovalentContact SG-SG 2.02Å; C1403-C1442 PolarHBondContact SG-SG 2.99Å; L1439-C1442 HydrophobicContact CB-CB 3.69Å; L1439-C1442 WeakPolarHBondContact CB-SG 3.18Å; L1439-C1442 HydrophobicContact CD1-CB 4.45Å; L1439-C1442 VanDerWaalsContact CD2-SG 3.59Å; L1439-C1442 PolarHBondContact O-N 2.76Å; C1442-E1444 PolarHBondContact O-N 3.11Å; C1442-S1445 PolarHBondContact O-N 3.04Å; C1442-S1445 VanDerWaalsContact O-N 3.08Å; C1442-M1446 HydrophobicContact CB-CB 4.24Å; C1442-M1446 HydrophobicContact CB-CE 3.93Å; C1442-M1446 WeakPolarHBondContact O-CA 3.35Å; C1442-M1446 VanDerWaalsContact O-CB 3.29Å; C1442-M1446 WeakPolarHBondContact O-CB 3.45Å; C1442-M1446 PolarHBondContact O-N 2.78Å |
| 1443 | Q | 52.8 | Low | 62.8 | Low | 125 Ų | 125 | 62.7 Ų | 62.7 | 58% | 0.584 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -63.4 | -22 | 172.6 | -60.7 | -165 | -102.2 | 0 | 0 | 112.4 | L1439 A1440 N1441 | L1439-Q1443 PolarHBondContact O-N 2.92Å; A1440-Q1443 PolarHBondContact O-N 3.28Å; N1441-Q1443 PolarHBondContact O-N 2.71Å |
| 1444 | E | 44.4 | Very low | 62.2 | Low | 185 Ų | 185 | 65.9 Ų | 65.9 | 86% | 0.864 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -90.8 | -16 | 172.6 | -60.8 | -168.4 | 178.1 | 0 | 0 | 113.4 | N1441 C1442 | N1441-E1444 PolarHBondContact O-N 3.22Å; C1442-E1444 PolarHBondContact O-N 3.11Å |
| 1445 | S | 49.3 | Very low | 61.9 | Low | 41 Ų | 41 | 68.9 Ų | 68.9 | 29% | 0.287 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -117.8 | -12.7 | -172.7 | 82 | 0 | 0 | 0 | 0 | 115.7 | C1403 C1442 | C1403-S1445 WeakPolarHBondContact CB-OG 3.21Å; C1442-S1445 PolarHBondContact O-N 3.04Å; C1442-S1445 VanDerWaalsContact O-N 3.08Å |
| 1446 | M | 41.2 | Very low | 62 | Low | 33 Ų | 33 | 71.6 Ų | 71.6 | 16% | 0.163 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -126.6 | 4.3 | -168 | -121.8 | -142.6 | -65.7 | 0 | 0 | 114.8 | C1403 F1425 P1436 C1442 Y1448 | C1403-M1446 WeakPolarHBondContact SG-CE 3.44Å; F1425-M1446 HydrophobicContact CB-CE 3.66Å; F1425-M1446 HydrophobicContact CD1-CE 3.37Å; F1425-M1446 HydrophobicContact CD1-SD 3.94Å; F1425-M1446 HydrophobicContact CD2-CE 3.36Å; F1425-M1446 HydrophobicContact CD2-SD 3.58Å; F1425-M1446 VanDerWaalsContact CD2-SD 3.58Å; F1425-M1446 HydrophobicContact CE1-CE 3.74Å; F1425-M1446 HydrophobicContact CE1-CG 4.03Å; F1425-M1446 HydrophobicContact CE1-SD 3.66Å; F1425-M1446 HydrophobicContact CE2-CE 3.78Å; F1425-M1446 HydrophobicContact CE2-SD 3.32Å; F1425-M1446 WeakPolarHBondContact CE2-SD 3.08Å; F1425-M1446 HydrophobicContact CG-CE 3.17Å; F1425-M1446 HydrophobicContact CG-SD 3.92Å; F1425-M1446 HydrophobicContact CZ-CE 3.96Å; F1425-M1446 HydrophobicContact CZ-CG 4.1Å; F1425-M1446 HydrophobicContact CZ-SD 3.36Å; F1425-M1446 WeakPolarHBondContact CZ-SD 3.33Å; P1436-M1446 VanDerWaalsContact CA-CE 3.43Å; P1436-M1446 HydrophobicContact CB-CE 3.31Å; P1436-M1446 HydrophobicContact CB-SD 3.62Å; P1436-M1446 HydrophobicContact CG-CE 3.54Å; P1436-M1446 HydrophobicContact CG-SD 3.62Å; C1442-M1446 HydrophobicContact CB-CB 4.24Å; C1442-M1446 HydrophobicContact CB-CE 3.93Å; C1442-M1446 WeakPolarHBondContact O-CA 3.35Å; C1442-M1446 VanDerWaalsContact O-CB 3.29Å; C1442-M1446 WeakPolarHBondContact O-CB 3.45Å; C1442-M1446 PolarHBondContact O-N 2.78Å; M1446-Y1448 PolarHBondContact O-N 3.47Å; M1446-Y1448 VanDerWaalsContact O-N 3.12Å |
| 1447 | N | 42 | Very low | 62.9 | Low | 65 Ų | 65 | 73.9 Ų | 73.9 | 35% | 0.348 | 43% | 0.434 | S | S | . | . | trans | -78.1 | 76.8 | 148.2 | -152.6 | 18.8 | 0 | 0 | 0 | 107.5 | T1449 D1450 V1451 | N1447-T1449 PolarHBondContact O-N 3.18Å; N1447-T1449 VanDerWaalsContact O-N 3.14Å; N1447-T1449 WeakPolarHBondContact OD1-CB 3.28Å; N1447-T1449 PolarHBondContact OD1-OG1 3.47Å; N1447-D1450 HydrophobicContact CB-CB 4.2Å; N1447-D1450 WeakPolarHBondContact CB-OD2 3.41Å; N1447-D1450 PolarHBondContact ND2-OD1 3.12Å; N1447-D1450 VanDerWaalsContact ND2-OD1 3.16Å; N1447-D1450 PolarHBondContact ND2-OD2 3.13Å; N1447-D1450 WeakPolarHBondContact O-CA 3.33Å; N1447-D1450 WeakPolarHBondContact O-CB 3.44Å; N1447-D1450 PolarHBondContact O-N 3.43Å; N1447-V1451 PolarHBondContact O-N 3.1Å | ||
| 1448 | Y | 55.6 | Low | 63.8 | Low | 30 Ų | 30 | 70 Ų | 70 | 12% | 0.118 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -60.7 | -18.2 | 167.1 | -68.6 | -49.4 | 0 | 0 | 0 | 111.1 | M1446 D1450 V1451 C1452 L1462 V1471 F1480 | M1446-Y1448 PolarHBondContact O-N 3.47Å; M1446-Y1448 VanDerWaalsContact O-N 3.12Å; Y1448-D1450 PolarHBondContact O-N 3.37Å; Y1448-V1451 HydrophobicContact CD1-CB 4.46Å; Y1448-V1451 HydrophobicContact CD1-CG2 4.1Å; Y1448-V1451 PolarHBondContact O-N 2.72Å; Y1448-C1452 VanDerWaalsContact O-CB 3.25Å; Y1448-C1452 WeakPolarHBondContact O-CB 3.48Å; Y1448-C1452 PolarHBondContact O-N 3.48Å; Y1448-C1452 PolarHBondContact O-SG 3.5Å; Y1448-L1462 HydrophobicContact CE1-CD2 3.44Å; Y1448-L1462 VanDerWaalsContact CE1-CD2 3.44Å; Y1448-L1462 WeakPolarHBondContact OH-CD2 3.42Å; Y1448-V1471 HydrophobicContact CD1-CG1 4.37Å; Y1448-V1471 HydrophobicContact CD1-CG2 3.94Å; Y1448-V1471 HydrophobicContact CE1-CG2 3.82Å; Y1448-V1471 HydrophobicContact CG-CG1 4.34Å; Y1448-F1480 HydrophobicContact CE2-CB 4.35Å |
| 1449 | T | 53.4 | Low | 64.5 | Low | 70 Ų | 70 | 68 Ų | 68 | 43% | 0.429 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.7 | -23.5 | 165.1 | -9.4 | 0 | 0 | 0 | 0 | 114 | N1447 A1453 G1476 | N1447-T1449 PolarHBondContact O-N 3.18Å; N1447-T1449 VanDerWaalsContact O-N 3.14Å; N1447-T1449 WeakPolarHBondContact OD1-CB 3.28Å; N1447-T1449 PolarHBondContact OD1-OG1 3.47Å; T1449-A1453 WeakPolarHBondContact O-CA 3.38Å; T1449-A1453 VanDerWaalsContact O-CB 3.25Å; T1449-A1453 WeakPolarHBondContact O-CB 3Å; T1449-A1453 PolarHBondContact O-N 3.48Å; T1449-A1453 VanDerWaalsContact O-N 3.13Å; T1449-G1476 WeakPolarHBondContact CA-O 3.37Å; T1449-G1476 WeakPolarHBondContact CG2-O 2.99Å |
| 1450 | D | 56 | Low | 65.2 | Low | 105 Ų | 105 | 69.9 Ų | 69.9 | 56% | 0.561 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -87.2 | -36.1 | 169.9 | -72.9 | -28 | 0 | 0 | 0 | 112.2 | N1447 Y1448 C1452 A1453 | N1447-D1450 HydrophobicContact CB-CB 4.2Å; N1447-D1450 WeakPolarHBondContact CB-OD2 3.41Å; N1447-D1450 PolarHBondContact ND2-OD1 3.12Å; N1447-D1450 VanDerWaalsContact ND2-OD1 3.16Å; N1447-D1450 PolarHBondContact ND2-OD2 3.13Å; N1447-D1450 WeakPolarHBondContact O-CA 3.33Å; N1447-D1450 WeakPolarHBondContact O-CB 3.44Å; N1447-D1450 PolarHBondContact O-N 3.43Å; Y1448-D1450 PolarHBondContact O-N 3.37Å; D1450-C1452 VanDerWaalsContact C-N 3.31Å; D1450-A1453 VanDerWaalsContact O-CB 3.32Å; D1450-A1453 WeakPolarHBondContact O-CB 3.06Å; D1450-A1453 PolarHBondContact O-N 3.1Å; D1450-A1453 VanDerWaalsContact O-N 3.13Å |
| 1451 | V | 67 | Low | 65.8 | Low | 57 Ų | 57 | 67.6 Ų | 67.6 | 35% | 0.345 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.6 | -46 | 171.2 | 179.4 | 0 | 0 | 0 | 0 | 109.8 | N1447 Y1448 A1453 M1455 | N1447-V1451 PolarHBondContact O-N 3.1Å; Y1448-V1451 HydrophobicContact CD1-CB 4.46Å; Y1448-V1451 HydrophobicContact CD1-CG2 4.1Å; Y1448-V1451 PolarHBondContact O-N 2.72Å; V1451-A1453 VanDerWaalsContact C-N 3.3Å; V1451-A1453 PolarHBondContact O-N 3.02Å; V1451-M1455 HydrophobicContact CG1-CE 4.34Å; V1451-M1455 VanDerWaalsContact O-CE 3.3Å; V1451-M1455 WeakPolarHBondContact O-CE 3.42Å; V1451-M1455 WeakPolarHBondContact O-CG 3.32Å |
| 1452 | C | 79.2 | Confident | 65.9 | Low | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 4.5 | 175.1 | -54.3 | 0 | 0 | 0 | 0 | 113.6 | Y1448 D1450 G1454 M1455 C1473 G1476 G1478 | Y1448-C1452 VanDerWaalsContact O-CB 3.25Å; Y1448-C1452 WeakPolarHBondContact O-CB 3.48Å; Y1448-C1452 PolarHBondContact O-N 3.48Å; Y1448-C1452 PolarHBondContact O-SG 3.5Å; D1450-C1452 VanDerWaalsContact C-N 3.31Å; C1452-G1454 PolarHBondContact O-N 3.47Å; C1452-M1455 PolarHBondContact O-N 2.98Å; C1452-C1473 HydrophobicContact CB-CB 3.78Å; C1452-C1473 WeakPolarHBondContact CB-SG 3.21Å; C1452-C1473 VanDerWaalsContact SG-CA 3.51Å; C1452-C1473 WeakPolarHBondContact SG-CB 3.48Å; C1452-C1473 CovalentContact SG-SG 2.04Å; C1452-C1473 PolarHBondContact SG-SG 3.22Å; C1452-G1476 WeakPolarHBondContact CB-O 3.3Å; C1452-G1478 VanDerWaalsContact SG-CA 3.52Å |
| 1453 | A | 71.2 | Confident | 65.6 | Low | 69 Ų | 69 | 71 Ų | 71 | 57% | 0.57 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | 89.2 | -179 | 0 | 0 | 0 | 0 | 0 | 111.3 | T1449 D1450 V1451 | T1449-A1453 WeakPolarHBondContact O-CA 3.38Å; T1449-A1453 VanDerWaalsContact O-CB 3.25Å; T1449-A1453 WeakPolarHBondContact O-CB 3Å; T1449-A1453 PolarHBondContact O-N 3.48Å; T1449-A1453 VanDerWaalsContact O-N 3.13Å; D1450-A1453 VanDerWaalsContact O-CB 3.32Å; D1450-A1453 WeakPolarHBondContact O-CB 3.06Å; D1450-A1453 PolarHBondContact O-N 3.1Å; D1450-A1453 VanDerWaalsContact O-N 3.13Å; V1451-A1453 VanDerWaalsContact C-N 3.3Å; V1451-A1453 PolarHBondContact O-N 3.02Å |
| 1454 | G | 73.2 | Confident | 65.8 | Low | 85 Ų | 85 | 71.2 Ų | 71.2 | 88% | 0.876 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.9 | 7.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | C1452 | C1452-G1454 PolarHBondContact O-N 3.47Š|
| 1455 | M | 77.7 | Confident | 66.3 | Low | 80 Ų | 80 | 65 Ų | 65 | 39% | 0.394 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -76 | 151.5 | 156.4 | -64.1 | -169.5 | 178.1 | 0 | 0 | 109.6 | V1451 C1452 F1460 | V1451-M1455 HydrophobicContact CG1-CE 4.34Å; V1451-M1455 VanDerWaalsContact O-CE 3.3Å; V1451-M1455 WeakPolarHBondContact O-CE 3.42Å; V1451-M1455 WeakPolarHBondContact O-CG 3.32Å; C1452-M1455 PolarHBondContact O-N 2.98Å; M1455-F1460 HydrophobicContact CB-CE1 4.48Å; M1455-F1460 HydrophobicContact CB-CE2 4.17Å; M1455-F1460 HydrophobicContact CB-CZ 3.98Å; M1455-F1460 HydrophobicContact CE-CD1 4.43Å; M1455-F1460 HydrophobicContact CG-CE1 4.45Å; M1455-F1460 HydrophobicContact CG-CZ 4.43Å; M1455-F1460 HydrophobicContact SD-CB 4.32Å; M1455-F1460 HydrophobicContact SD-CD1 3.59Å; M1455-F1460 VanDerWaalsContact SD-CD1 3.59Å; M1455-F1460 HydrophobicContact SD-CD2 3.92Å; M1455-F1460 HydrophobicContact SD-CE1 3.79Å; M1455-F1460 HydrophobicContact SD-CE2 4.11Å; M1455-F1460 HydrophobicContact SD-CG 3.65Å; M1455-F1460 HydrophobicContact SD-CZ 4.05Å |
| 1456 | S | 82.2 | Confident | 67.4 | Low | 86 Ų | 86 | 65 Ų | 65 | 60% | 0.601 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -73.4 | 164.6 | 167.7 | 53.9 | 0 | 0 | 0 | 0 | 111.2 | G1458 F1460 | S1456-G1458 PolarHBondContact O-N 3.1Å; S1456-F1460 WeakPolarHBondContact O-CE2 3.37Å |
| 1457 | D | 85.5 | Confident | 69.1 | Low | 88 Ų | 88 | 64.4 Ų | 64.4 | 47% | 0.471 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -57.2 | 134 | 166.7 | -71.6 | 30.2 | 0 | 0 | 0 | 109.8 | C1473 K1474 N1475 | D1457-C1473 CarbonylContact C-O 3.56Å; D1457-C1473 VanDerWaalsContact CA-O 3.25Å; D1457-C1473 WeakPolarHBondContact CA-O 3.21Å; D1457-K1474 WeakPolarHBondContact OD2-CA 3.49Å; D1457-K1474 WeakPolarHBondContact OD2-CG 3.3Å; D1457-N1475 VanDerWaalsContact CG-N 3.29Å; D1457-N1475 PolarHBondContact OD1-N 3.44Å; D1457-N1475 PolarHBondContact OD2-N 2.76Å; D1457-N1475 PolarHBondContact OD2-ND2 3.14Å |
| 1458 | G | 85.9 | Confident | 70.9 | Confident | 26 Ų | 26 | 62.8 Ų | 62.8 | 27% | 0.268 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 156.6 | -180 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S1456 F1460 C1473 | S1456-G1458 PolarHBondContact O-N 3.1Å; G1458-F1460 WeakPolarHBondContact O-CD2 3.49Å; G1458-F1460 WeakPolarHBondContact O-CE2 3.34Å; G1458-C1473 PolarHBondContact N-O 3.16Å; G1458-C1473 PolarHBondContact O-N 3.17Å |
| 1459 | F | 89.1 | Confident | 72.2 | Confident | 96 Ų | 96 | 64.1 Ų | 64.1 | 42% | 0.421 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 135.4 | 178.2 | -53.4 | -73.4 | 0 | 0 | 0 | 111.3 | F1470 V1471 E1472 F1489 | F1459-F1470 HydrophobicContact CB-CD2 4.32Å; F1459-F1470 AromaticContact CD1-CD2 3.84Å; F1459-F1470 HydrophobicContact CD1-CD2 3.84Å; F1459-F1470 AromaticContact CD1-CE2 3.51Å; F1459-F1470 HydrophobicContact CD1-CE2 3.51Å; F1459-F1470 AromaticContact CE1-CE2 3.94Å; F1459-F1470 HydrophobicContact CE1-CE2 3.94Å; F1459-F1470 HydrophobicContact CG-CD2 4.45Å; F1459-F1470 HydrophobicContact CG-CE2 4.36Å; F1459-V1471 CarbonylContact C-O 3.58Å; F1459-V1471 WeakPolarHBondContact CA-O 3.11Å; F1459-E1472 HydrophobicContact CD1-CB 3.72Å; F1459-E1472 HydrophobicContact CD1-CG 4.01Å; F1459-E1472 HydrophobicContact CE1-CB 3.68Å; F1459-E1472 HydrophobicContact CE1-CG 3.63Å; F1459-E1472 HydrophobicContact CZ-CG 4.48Å; F1459-F1489 HydrophobicContact CB-CE2 3.58Å; F1459-F1489 HydrophobicContact CB-CZ 3.65Å |
| 1460 | F | 84.1 | Confident | 73.7 | Confident | 55 Ų | 55 | 62 Ų | 62 | 24% | 0.241 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 143.8 | -175.1 | -59.9 | -87.4 | 0 | 0 | 0 | 111.2 | M1455 S1456 G1458 F1470 V1471 C1473 | M1455-F1460 HydrophobicContact CB-CE1 4.48Å; M1455-F1460 HydrophobicContact CB-CE2 4.17Å; M1455-F1460 HydrophobicContact CB-CZ 3.98Å; M1455-F1460 HydrophobicContact CE-CD1 4.43Å; M1455-F1460 HydrophobicContact CG-CE1 4.45Å; M1455-F1460 HydrophobicContact CG-CZ 4.43Å; M1455-F1460 HydrophobicContact SD-CB 4.32Å; M1455-F1460 HydrophobicContact SD-CD1 3.59Å; M1455-F1460 VanDerWaalsContact SD-CD1 3.59Å; M1455-F1460 HydrophobicContact SD-CD2 3.92Å; M1455-F1460 HydrophobicContact SD-CE1 3.79Å; M1455-F1460 HydrophobicContact SD-CE2 4.11Å; M1455-F1460 HydrophobicContact SD-CG 3.65Å; M1455-F1460 HydrophobicContact SD-CZ 4.05Å; S1456-F1460 WeakPolarHBondContact O-CE2 3.37Å; G1458-F1460 WeakPolarHBondContact O-CD2 3.49Å; G1458-F1460 WeakPolarHBondContact O-CE2 3.34Å; F1460-F1470 CarbonylContact O-C 3.6Å; F1460-F1470 WeakPolarHBondContact O-CA 3.44Å; F1460-V1471 PolarHBondContact N-O 3.06Å; F1460-V1471 PolarHBondContact O-N 3.11Å; F1460-C1473 HydrophobicContact CD2-CB 3.94Å; F1460-C1473 VanDerWaalsContact CD2-SG 3.57Å; F1460-C1473 HydrophobicContact CE2-CB 3.83Å |
| 1461 | A | 74.3 | Confident | 75.1 | Confident | 23 Ų | 23 | 57 Ų | 57 | 19% | 0.19 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 139.5 | 175 | 0 | 0 | 0 | 0 | 0 | 110.5 | K1463 F1489 P1491 | A1461-K1463 WeakPolarHBondContact CB-O 3.47Å; A1461-K1463 PolarHBondContact O-N 2.84Å; A1461-K1463 VanDerWaalsContact O-N 3.13Å; A1461-F1489 HydrophobicContact CB-CD1 3.87Å; A1461-F1489 HydrophobicContact CB-CE1 4.02Å; A1461-P1491 HydrophobicContact CB-CB 3.88Å; A1461-P1491 HydrophobicContact CB-CG 4.22Å |
| 1462 | L | 60.1 | Low | 75.9 | Confident | 51 Ų | 51 | 57 Ų | 57 | 27% | 0.267 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -59.1 | -24.2 | 175.5 | -71.7 | 158.2 | 0 | 0 | 0 | 113.1 | Y1448 F1469 V1471 F1480 | Y1448-L1462 HydrophobicContact CE1-CD2 3.44Å; Y1448-L1462 VanDerWaalsContact CE1-CD2 3.44Å; Y1448-L1462 WeakPolarHBondContact OH-CD2 3.42Å; L1462-F1469 HydrophobicContact CD1-CB 3.63Å; L1462-V1471 HydrophobicContact CD2-CG2 3.32Å; L1462-V1471 HydrophobicContact CG-CG2 3.89Å; L1462-F1480 HydrophobicContact CD1-CD2 3.84Å; L1462-F1480 HydrophobicContact CD1-CE2 3.6Å |
| 1463 | K | 53.8 | Low | 76.4 | Confident | 121 Ų | 121 | 57.1 Ų | 57.1 | 53% | 0.526 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -165 | 159.4 | -178.1 | -157.4 | 155.5 | 169 | -179.3 | 0 | 108.1 | A1461 M1465 | A1461-K1463 WeakPolarHBondContact CB-O 3.47Å; A1461-K1463 PolarHBondContact O-N 2.84Å; A1461-K1463 VanDerWaalsContact O-N 3.13Å; K1463-M1465 HydrophobicContact CB-CB 4.48Å; K1463-M1465 HydrophobicContact CB-CG 4.25Å; K1463-M1465 HydrophobicContact CB-SD 4.25Å; K1463-M1465 HydrophobicContact CD-CG 4.43Å; K1463-M1465 HydrophobicContact CD-SD 3.57Å; K1463-M1465 VanDerWaalsContact CD-SD 3.57Å; K1463-M1465 HydrophobicContact CG-CG 4.07Å; K1463-M1465 HydrophobicContact CG-SD 3.89Å; K1463-M1465 PolarHBondContact O-N 2.87Å |
| 1464 | N | 56.7 | Low | 76.9 | Confident | 129 Ų | 129 | 59.1 Ų | 59.1 | 69% | 0.69 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -73.7 | 67 | 171.4 | -70.8 | 9.8 | 0 | 0 | 0 | 110.5 | I1504 | N1464-I1504 HydrophobicContact CB-CD1 4.12Š|
| 1465 | M | 55.9 | Low | 77.3 | Confident | 55 Ų | 55 | 61.9 Ų | 61.9 | 27% | 0.271 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -138.6 | 145.8 | -177.9 | -71.5 | 176.7 | 57 | 0 | 0 | 109.4 | E1400 K1463 S1467 | E1400-M1465 HydrophobicContact CB-CE 4.36Å; E1400-M1465 HydrophobicContact CG-CE 4.28Å; K1463-M1465 HydrophobicContact CB-CB 4.48Å; K1463-M1465 HydrophobicContact CB-CG 4.25Å; K1463-M1465 HydrophobicContact CB-SD 4.25Å; K1463-M1465 HydrophobicContact CD-CG 4.43Å; K1463-M1465 HydrophobicContact CD-SD 3.57Å; K1463-M1465 VanDerWaalsContact CD-SD 3.57Å; K1463-M1465 HydrophobicContact CG-CG 4.07Å; K1463-M1465 HydrophobicContact CG-SD 3.89Å; K1463-M1465 PolarHBondContact O-N 2.87Å; M1465-S1467 PolarHBondContact O-N 2.67Å |
| 1466 | C | 72.3 | Confident | 77.4 | Confident | 40 Ų | 40 | 59.2 Ų | 59.2 | 27% | 0.27 | 32% | 0.319 | S | S | . | . | trans | -60.5 | 107.7 | 168.6 | -168.2 | 0 | 0 | 0 | 0 | 108.9 | Y1488 C1505 | C1466-Y1488 HydrophobicContact CB-CD1 4.35Å; C1466-Y1488 HydrophobicContact CB-CE1 4.48Å; C1466-Y1488 WeakPolarHBondContact SG-CD1 3.45Å; C1466-Y1488 WeakPolarHBondContact SG-CE1 3.07Å; C1466-C1505 VanDerWaalsContact CA-SG 3.54Å; C1466-C1505 HydrophobicContact CB-CB 3.85Å; C1466-C1505 WeakPolarHBondContact CB-SG 3.39Å; C1466-C1505 VanDerWaalsContact SG-CA 3.53Å; C1466-C1505 WeakPolarHBondContact SG-CB 3.44Å; C1466-C1505 CovalentContact SG-SG 2.03Å; C1466-C1505 PolarHBondContact SG-SG 2.88Å | ||
| 1467 | S | 76.2 | Confident | 77.2 | Confident | 21 Ų | 21 | 58.4 Ų | 58.4 | 15% | 0.147 | 31% | 0.314 | C | S | . | . | trans | -146.8 | 137.5 | -171.7 | 170.6 | 0 | 0 | 0 | 0 | 110.6 | M1465 F1469 F1489 | M1465-S1467 PolarHBondContact O-N 2.67Å; S1467-F1469 PolarHBondContact O-N 3.19Å; S1467-F1469 WeakPolarHBondContact OG-CA 3.28Å; S1467-F1469 WeakPolarHBondContact OG-CB 3.23Å; S1467-F1469 PolarHBondContact OG-N 3.13Å; S1467-F1469 PolarHBondContact OG-O 2.97Å; S1467-F1469 VanDerWaalsContact OG-O 3.09Å; S1467-F1489 PolarHBondContact O-N 3.49Å | ||
| 1468 | P | 79.6 | Confident | 76.9 | Confident | 31 Ų | 31 | 55 Ų | 55 | 20% | 0.201 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -75.7 | -3 | 166.2 | 33.8 | -35.6 | 0 | 0 | 0 | 112.6 | I1482 C1483 | P1468-I1482 CarbonylContact O-C 3.56Å; P1468-I1482 WeakPolarHBondContact O-CA 3.48Å; P1468-C1483 HydrophobicContact CB-CB 4.36Å; P1468-C1483 PolarHBondContact O-N 3.05Å |
| 1469 | F | 82.1 | Confident | 76.5 | Confident | 59 Ų | 59 | 56.6 Ų | 56.6 | 26% | 0.259 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 136.1 | -175.1 | -46.8 | -59.3 | 0 | 0 | 0 | 112.8 | L1462 S1467 F1480 G1481 I1482 | L1462-F1469 HydrophobicContact CD1-CB 3.63Å; S1467-F1469 PolarHBondContact O-N 3.19Å; S1467-F1469 WeakPolarHBondContact OG-CA 3.28Å; S1467-F1469 WeakPolarHBondContact OG-CB 3.23Å; S1467-F1469 PolarHBondContact OG-N 3.13Å; S1467-F1469 PolarHBondContact OG-O 2.97Å; S1467-F1469 VanDerWaalsContact OG-O 3.09Å; F1469-F1480 HydrophobicContact CB-CE2 3.79Å; F1469-F1480 HydrophobicContact CB-CZ 3.8Å; F1469-F1480 HydrophobicContact CD1-CE1 4.12Å; F1469-F1480 HydrophobicContact CD1-CE2 4.37Å; F1469-F1480 AromaticContact CD1-CZ 3.52Å; F1469-F1480 HydrophobicContact CD1-CZ 3.52Å; F1469-F1480 HydrophobicContact CE1-CZ 4.24Å; F1469-F1480 HydrophobicContact CG-CE2 4.17Å; F1469-F1480 AromaticContact CG-CZ 3.74Å; F1469-F1480 HydrophobicContact CG-CZ 3.74Å; F1469-G1481 WeakPolarHBondContact CA-O 3.46Å; F1469-I1482 HydrophobicContact CD1-CB 4.32Å; F1469-I1482 HydrophobicContact CD1-CD1 4.41Å; F1469-I1482 HydrophobicContact CD1-CG1 3.97Å; F1469-I1482 HydrophobicContact CD1-CG2 3.84Å; F1469-I1482 HydrophobicContact CE1-CD1 4.22Å; F1469-I1482 HydrophobicContact CE1-CG1 4.26Å; F1469-I1482 HydrophobicContact CE1-CG2 3.83Å |
| 1470 | F | 85.6 | Confident | 76.2 | Confident | 26 Ų | 26 | 55.3 Ų | 55.3 | 11% | 0.114 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 177.3 | -177.1 | 64.3 | -94.7 | 0 | 0 | 0 | 112.8 | F1459 F1460 F1480 G1481 F1489 | F1459-F1470 HydrophobicContact CB-CD2 4.32Å; F1459-F1470 AromaticContact CD1-CD2 3.84Å; F1459-F1470 HydrophobicContact CD1-CD2 3.84Å; F1459-F1470 AromaticContact CD1-CE2 3.51Å; F1459-F1470 HydrophobicContact CD1-CE2 3.51Å; F1459-F1470 AromaticContact CE1-CE2 3.94Å; F1459-F1470 HydrophobicContact CE1-CE2 3.94Å; F1459-F1470 HydrophobicContact CG-CD2 4.45Å; F1459-F1470 HydrophobicContact CG-CE2 4.36Å; F1460-F1470 CarbonylContact O-C 3.6Å; F1460-F1470 WeakPolarHBondContact O-CA 3.44Å; F1470-F1480 WeakPolarHBondContact O-CA 3.05Å; F1470-G1481 PolarHBondContact N-O 3.22Å; F1470-G1481 PolarHBondContact O-N 3.35Å; F1470-F1489 HydrophobicContact CB-CB 4.05Å; F1470-F1489 HydrophobicContact CB-CD1 3.86Å; F1470-F1489 HydrophobicContact CB-CD2 3.49Å; F1470-F1489 VanDerWaalsContact CB-CD2 3.49Å; F1470-F1489 HydrophobicContact CB-CE1 4.18Å; F1470-F1489 HydrophobicContact CB-CE2 3.84Å; F1470-F1489 HydrophobicContact CB-CG 3.5Å; F1470-F1489 VanDerWaalsContact CB-CG 3.5Å; F1470-F1489 HydrophobicContact CB-CZ 4.17Å; F1470-F1489 HydrophobicContact CD1-CB 4.23Å; F1470-F1489 AromaticContact CD1-CD2 3.64Å; F1470-F1489 HydrophobicContact CD1-CD2 3.64Å; F1470-F1489 HydrophobicContact CD1-CE2 4.35Å; F1470-F1489 HydrophobicContact CD1-CG 4.14Å; F1470-F1489 HydrophobicContact CD2-CD2 4.42Å; F1470-F1489 HydrophobicContact CD2-CE2 4.36Å; F1470-F1489 HydrophobicContact CE1-CD2 4.45Å; F1470-F1489 AromaticContact CG-CD2 3.61Å; F1470-F1489 HydrophobicContact CG-CD2 3.61Å; F1470-F1489 AromaticContact CG-CE2 3.96Å; F1470-F1489 HydrophobicContact CG-CE2 3.96Å; F1470-F1489 HydrophobicContact CG-CG 4.1Å |
| 1471 | V | 84.5 | Confident | 75.9 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 122.9 | 172.8 | -174.3 | 0 | 0 | 0 | 0 | 109.6 | Y1448 F1459 F1460 L1462 C1473 S1479 | Y1448-V1471 HydrophobicContact CD1-CG1 4.37Å; Y1448-V1471 HydrophobicContact CD1-CG2 3.94Å; Y1448-V1471 HydrophobicContact CE1-CG2 3.82Å; Y1448-V1471 HydrophobicContact CG-CG1 4.34Å; F1459-V1471 CarbonylContact C-O 3.58Å; F1459-V1471 WeakPolarHBondContact CA-O 3.11Å; F1460-V1471 PolarHBondContact N-O 3.06Å; F1460-V1471 PolarHBondContact O-N 3.11Å; L1462-V1471 HydrophobicContact CD2-CG2 3.32Å; L1462-V1471 HydrophobicContact CG-CG2 3.89Å; V1471-C1473 PolarHBondContact O-N 3.43Å; V1471-S1479 CarbonylContact C-O 3.43Å; V1471-S1479 WeakPolarHBondContact CA-O 3.27Å |
| 1472 | E | 85.5 | Confident | 76.2 | Confident | 57 Ų | 57 | 56.4 Ų | 56.4 | 27% | 0.266 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 108.3 | 159.7 | -177.5 | -174 | 158.8 | 0 | 0 | 108 | F1459 K1474 G1478 S1479 | F1459-E1472 HydrophobicContact CD1-CB 3.72Å; F1459-E1472 HydrophobicContact CD1-CG 4.01Å; F1459-E1472 HydrophobicContact CE1-CB 3.68Å; F1459-E1472 HydrophobicContact CE1-CG 3.63Å; F1459-E1472 HydrophobicContact CZ-CG 4.48Å; E1472-K1474 IonicContact OE1-NZ 2.97Å; E1472-K1474 PolarHBondContact OE1-NZ 2.86Å; E1472-G1478 CarbonylContact O-C 3.45Å; E1472-G1478 VanDerWaalsContact O-CA 3.29Å; E1472-G1478 WeakPolarHBondContact O-CA 3.39Å; E1472-S1479 PolarHBondContact N-O 3.33Å; E1472-S1479 PolarHBondContact O-N 3.43Å; E1472-S1479 PolarHBondContact O-OG 2.98Å |
| 1473 | C | 88.9 | Confident | 77.2 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.007 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 133.2 | 166.2 | -69.4 | 0 | 0 | 0 | 0 | 109.7 | C1452 D1457 G1458 F1460 V1471 S1477 | C1452-C1473 HydrophobicContact CB-CB 3.78Å; C1452-C1473 WeakPolarHBondContact CB-SG 3.21Å; C1452-C1473 VanDerWaalsContact SG-CA 3.51Å; C1452-C1473 WeakPolarHBondContact SG-CB 3.48Å; C1452-C1473 CovalentContact SG-SG 2.04Å; C1452-C1473 PolarHBondContact SG-SG 3.22Å; D1457-C1473 CarbonylContact C-O 3.56Å; D1457-C1473 VanDerWaalsContact CA-O 3.25Å; D1457-C1473 WeakPolarHBondContact CA-O 3.21Å; G1458-C1473 PolarHBondContact N-O 3.16Å; G1458-C1473 PolarHBondContact O-N 3.17Å; F1460-C1473 HydrophobicContact CD2-CB 3.94Å; F1460-C1473 VanDerWaalsContact CD2-SG 3.57Å; F1460-C1473 HydrophobicContact CE2-CB 3.83Å; V1471-C1473 PolarHBondContact O-N 3.43Å; C1473-S1477 CarbonylContact C-O 3.56Å |
| 1474 | K | 81.3 | Confident | 78 | Confident | 112 Ų | 112 | 53.1 Ų | 53.1 | 49% | 0.487 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 118.8 | 179.4 | -165 | -178.3 | -136.5 | 120.8 | 0 | 110.9 | D1457 E1472 G1476 S1477 | D1457-K1474 WeakPolarHBondContact OD2-CA 3.49Å; D1457-K1474 WeakPolarHBondContact OD2-CG 3.3Å; E1472-K1474 IonicContact OE1-NZ 2.97Å; E1472-K1474 PolarHBondContact OE1-NZ 2.86Å; K1474-G1476 PolarHBondContact O-N 3.41Å; K1474-S1477 PolarHBondContact N-O 2.86Å; K1474-S1477 PolarHBondContact O-N 2.99Å |
| 1475 | N | 82 | Confident | 77.5 | Confident | 143 Ų | 143 | 56 Ų | 56 | 77% | 0.765 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 36.5 | -173.7 | -67.6 | -107.8 | 0 | 0 | 0 | 112.9 | D1457 S1477 | D1457-N1475 VanDerWaalsContact CG-N 3.29Å; D1457-N1475 PolarHBondContact OD1-N 3.44Å; D1457-N1475 PolarHBondContact OD2-N 2.76Å; D1457-N1475 PolarHBondContact OD2-ND2 3.14Å; N1475-S1477 VanDerWaalsContact C-N 3.3Å; N1475-S1477 PolarHBondContact O-N 2.03Å |
| 1476 | G | 79.5 | Confident | 77.7 | Confident | 23 Ų | 23 | 62.1 Ų | 62.1 | 24% | 0.237 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | 3.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | T1449 C1452 K1474 | T1449-G1476 WeakPolarHBondContact CA-O 3.37Å; T1449-G1476 WeakPolarHBondContact CG2-O 2.99Å; C1452-G1476 WeakPolarHBondContact CB-O 3.3Å; K1474-G1476 PolarHBondContact O-N 3.41Å |
| 1477 | S | 78.3 | Confident | 78 | Confident | 70 Ų | 70 | 62.8 Ų | 62.8 | 49% | 0.49 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 136.1 | 171.9 | -178.2 | 0 | 0 | 0 | 0 | 110.2 | C1473 K1474 N1475 | C1473-S1477 CarbonylContact C-O 3.56Å; K1474-S1477 PolarHBondContact N-O 2.86Å; K1474-S1477 PolarHBondContact O-N 2.99Å; N1475-S1477 VanDerWaalsContact C-N 3.3Å; N1475-S1477 PolarHBondContact O-N 2.03Å |
| 1478 | G | 79.5 | Confident | 78.4 | Confident | 16 Ų | 16 | 65.4 Ų | 65.4 | 17% | 0.165 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 139.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | C1452 E1472 | C1452-G1478 VanDerWaalsContact SG-CA 3.52Å; E1472-G1478 CarbonylContact O-C 3.45Å; E1472-G1478 VanDerWaalsContact O-CA 3.29Å; E1472-G1478 WeakPolarHBondContact O-CA 3.39Å |
| 1479 | S | 77.7 | Confident | 78.6 | Confident | 59 Ų | 59 | 64.1 Ų | 64.1 | 41% | 0.413 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 135.1 | 171.8 | 41.4 | 0 | 0 | 0 | 0 | 112 | V1471 E1472 | V1471-S1479 CarbonylContact C-O 3.43Å; V1471-S1479 WeakPolarHBondContact CA-O 3.27Å; E1472-S1479 PolarHBondContact N-O 3.33Å; E1472-S1479 PolarHBondContact O-N 3.43Å; E1472-S1479 PolarHBondContact O-OG 2.98Å |
| 1480 | F | 82 | Confident | 78.8 | Confident | 69 Ų | 69 | 61.8 Ų | 61.8 | 30% | 0.303 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 128.9 | -179.2 | 177.7 | -87.6 | 0 | 0 | 0 | 111.8 | Y1448 L1462 F1469 F1470 I1482 | Y1448-F1480 HydrophobicContact CE2-CB 4.35Å; L1462-F1480 HydrophobicContact CD1-CD2 3.84Å; L1462-F1480 HydrophobicContact CD1-CE2 3.6Å; F1469-F1480 HydrophobicContact CB-CE2 3.79Å; F1469-F1480 HydrophobicContact CB-CZ 3.8Å; F1469-F1480 HydrophobicContact CD1-CE1 4.12Å; F1469-F1480 HydrophobicContact CD1-CE2 4.37Å; F1469-F1480 AromaticContact CD1-CZ 3.52Å; F1469-F1480 HydrophobicContact CD1-CZ 3.52Å; F1469-F1480 HydrophobicContact CE1-CZ 4.24Å; F1469-F1480 HydrophobicContact CG-CE2 4.17Å; F1469-F1480 AromaticContact CG-CZ 3.74Å; F1469-F1480 HydrophobicContact CG-CZ 3.74Å; F1470-F1480 WeakPolarHBondContact O-CA 3.05Å; F1480-I1482 HydrophobicContact CD1-CG1 4.34Å; F1480-I1482 HydrophobicContact CE1-CD1 4.03Å; F1480-I1482 HydrophobicContact CE1-CG1 3.69Å; F1480-I1482 HydrophobicContact CZ-CG1 4.49Å |
| 1481 | G | 78.3 | Confident | 78.5 | Confident | 14 Ų | 14 | 63 Ų | 63 | 14% | 0.144 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 159.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | F1469 F1470 | F1469-G1481 WeakPolarHBondContact CA-O 3.46Å; F1470-G1481 PolarHBondContact N-O 3.22Å; F1470-G1481 PolarHBondContact O-N 3.35Å |
| 1482 | I | 80.9 | Confident | 78.2 | Confident | 87 Ų | 87 | 67.7 Ų | 67.7 | 45% | 0.446 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 135.4 | 177.3 | -42.1 | -177.4 | 0 | 0 | 0 | 108.4 | P1468 F1469 F1480 | P1468-I1482 CarbonylContact O-C 3.56Å; P1468-I1482 WeakPolarHBondContact O-CA 3.48Å; F1469-I1482 HydrophobicContact CD1-CB 4.32Å; F1469-I1482 HydrophobicContact CD1-CD1 4.41Å; F1469-I1482 HydrophobicContact CD1-CG1 3.97Å; F1469-I1482 HydrophobicContact CD1-CG2 3.84Å; F1469-I1482 HydrophobicContact CE1-CD1 4.22Å; F1469-I1482 HydrophobicContact CE1-CG1 4.26Å; F1469-I1482 HydrophobicContact CE1-CG2 3.83Å; F1480-I1482 HydrophobicContact CD1-CG1 4.34Å; F1480-I1482 HydrophobicContact CE1-CD1 4.03Å; F1480-I1482 HydrophobicContact CE1-CG1 3.69Å; F1480-I1482 HydrophobicContact CZ-CG1 4.49Å |
| 1483 | C | 80.8 | Confident | 78.2 | Confident | 13 Ų | 13 | 69.6 Ų | 69.6 | 9% | 0.088 | 38% | 0.382 | C | S | . | . | trans | -69.3 | 144.6 | 173.2 | -69.4 | 0 | 0 | 0 | 0 | 112.6 | P1468 L1487 F1489 C1496 | P1468-C1483 HydrophobicContact CB-CB 4.36Å; P1468-C1483 PolarHBondContact O-N 3.05Å; C1483-L1487 HydrophobicContact CB-CB 4.19Å; C1483-L1487 WeakPolarHBondContact CB-O 3.23Å; C1483-F1489 PolarHBondContact SG-N 3.27Å; C1483-C1496 WeakPolarHBondContact CA-SG 3.4Å; C1483-C1496 HydrophobicContact CB-CB 3.64Å; C1483-C1496 WeakPolarHBondContact CB-SG 3.12Å; C1483-C1496 WeakPolarHBondContact SG-CB 3.48Å; C1483-C1496 CovalentContact SG-SG 2.03Å; C1483-C1496 PolarHBondContact SG-SG 2.82Å | ||
| 1484 | S | 71.4 | Confident | 78.2 | Confident | 91 Ų | 91 | 70.6 Ų | 70.6 | 64% | 0.636 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -74.3 | 135.9 | 176.3 | -62.2 | 0 | 0 | 0 | 0 | 111.4 | L1487 | S1484-L1487 WeakPolarHBondContact O-CB 3.26Å; S1484-L1487 VanDerWaalsContact O-CG 3.27Å; S1484-L1487 WeakPolarHBondContact O-CG 3.21Å; S1484-L1487 PolarHBondContact O-N 2.91Å |
| 1485 | W | 45.4 | Very low | 78.3 | Confident | 190 Ų | 190 | 68.4 Ų | 68.4 | 72% | 0.72 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 34.4 | 90.5 | 167.6 | -69.5 | -20.9 | 0 | 0 | 0 | 116.5 | L145 L1487 | L145-W1485 HydrophobicContact CD1-CH2 3.92Å; L145-W1485 HydrophobicContact CD1-CZ2 3.67Å; W1485-L1487 PolarHBondContact O-N 3.12Å |
| 1486 | E | 60.1 | Low | 78.7 | Confident | 182 Ų | 182 | 63.3 Ų | 63.3 | 85% | 0.85 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | -5.1 | 170.7 | -57.3 | -179.8 | 175.8 | 0 | 0 | 116 | Y1488 | E1486-Y1488 WeakPolarHBondContact O-CD2 3.36Š|
| 1487 | L | 78.2 | Confident | 78.9 | Confident | 54 Ų | 54 | 63.5 Ų | 63.5 | 28% | 0.283 | 36% | 0.363 | S | S | . | . | trans | -72.3 | 145.3 | 167.7 | -53.1 | 178.6 | 0 | 0 | 0 | 110.9 | C1483 S1484 W1485 C1496 T1497 I1498 | C1483-L1487 HydrophobicContact CB-CB 4.19Å; C1483-L1487 WeakPolarHBondContact CB-O 3.23Å; S1484-L1487 WeakPolarHBondContact O-CB 3.26Å; S1484-L1487 VanDerWaalsContact O-CG 3.27Å; S1484-L1487 WeakPolarHBondContact O-CG 3.21Å; S1484-L1487 PolarHBondContact O-N 2.91Å; W1485-L1487 PolarHBondContact O-N 3.12Å; L1487-C1496 HydrophobicContact CB-CB 4.04Å; L1487-C1496 HydrophobicContact CD1-CB 4.24Å; L1487-T1497 CarbonylContact C-O 3.5Å; L1487-T1497 WeakPolarHBondContact CA-O 3.47Å; L1487-I1498 HydrophobicContact CD2-CG2 3.74Å | ||
| 1488 | Y | 84 | Confident | 78.9 | Confident | 77 Ų | 77 | 63.9 Ų | 63.9 | 30% | 0.302 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 152.6 | 176.6 | -82.9 | -113.6 | 0 | 0 | 0 | 109.5 | C1466 E1486 C1496 T1497 P1499 I1502 | C1466-Y1488 HydrophobicContact CB-CD1 4.35Å; C1466-Y1488 HydrophobicContact CB-CE1 4.48Å; C1466-Y1488 WeakPolarHBondContact SG-CD1 3.45Å; C1466-Y1488 WeakPolarHBondContact SG-CE1 3.07Å; E1486-Y1488 WeakPolarHBondContact O-CD2 3.36Å; Y1488-C1496 CarbonylContact O-C 3.58Å; Y1488-C1496 WeakPolarHBondContact O-CA 3.18Å; Y1488-T1497 PolarHBondContact N-O 3.02Å; Y1488-T1497 PolarHBondContact O-N 3.07Å; Y1488-T1497 VanDerWaalsContact O-O 3.12Å; Y1488-P1499 HydrophobicContact CD2-CB 3.8Å; Y1488-P1499 HydrophobicContact CD2-CG 3.81Å; Y1488-P1499 HydrophobicContact CE2-CB 4.33Å; Y1488-P1499 HydrophobicContact CE2-CG 4.14Å; Y1488-P1499 HydrophobicContact CG-CB 3.94Å; Y1488-P1499 HydrophobicContact CG-CG 4.45Å; Y1488-I1502 WeakPolarHBondContact O-CD1 3.01Å |
| 1489 | F | 84.2 | Confident | 78.2 | Confident | 4 Ų | 4 | 65.1 Ų | 65.1 | 2% | 0.018 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 123.2 | 178 | -176.2 | -95.4 | 0 | 0 | 0 | 110.5 | F1459 A1461 S1467 F1470 C1483 P1491 G1494 | F1459-F1489 HydrophobicContact CB-CE2 3.58Å; F1459-F1489 HydrophobicContact CB-CZ 3.65Å; A1461-F1489 HydrophobicContact CB-CD1 3.87Å; A1461-F1489 HydrophobicContact CB-CE1 4.02Å; S1467-F1489 PolarHBondContact O-N 3.49Å; F1470-F1489 HydrophobicContact CB-CB 4.05Å; F1470-F1489 HydrophobicContact CB-CD1 3.86Å; F1470-F1489 HydrophobicContact CB-CD2 3.49Å; F1470-F1489 VanDerWaalsContact CB-CD2 3.49Å; F1470-F1489 HydrophobicContact CB-CE1 4.18Å; F1470-F1489 HydrophobicContact CB-CE2 3.84Å; F1470-F1489 HydrophobicContact CB-CG 3.5Å; F1470-F1489 VanDerWaalsContact CB-CG 3.5Å; F1470-F1489 HydrophobicContact CB-CZ 4.17Å; F1470-F1489 HydrophobicContact CD1-CB 4.23Å; F1470-F1489 AromaticContact CD1-CD2 3.64Å; F1470-F1489 HydrophobicContact CD1-CD2 3.64Å; F1470-F1489 HydrophobicContact CD1-CE2 4.35Å; F1470-F1489 HydrophobicContact CD1-CG 4.14Å; F1470-F1489 HydrophobicContact CD2-CD2 4.42Å; F1470-F1489 HydrophobicContact CD2-CE2 4.36Å; F1470-F1489 HydrophobicContact CE1-CD2 4.45Å; F1470-F1489 AromaticContact CG-CD2 3.61Å; F1470-F1489 HydrophobicContact CG-CD2 3.61Å; F1470-F1489 AromaticContact CG-CE2 3.96Å; F1470-F1489 HydrophobicContact CG-CE2 3.96Å; F1470-F1489 HydrophobicContact CG-CG 4.1Å; C1483-F1489 PolarHBondContact SG-N 3.27Å; F1489-P1491 HydrophobicContact CE1-CB 4.34Å; F1489-P1491 WeakPolarHBondContact O-CD 3.03Å; F1489-G1494 VanDerWaalsContact CE2-C 3.47Å; F1489-G1494 WeakPolarHBondContact CE2-O 3.34Å |
| 1490 | D | 86.5 | Confident | 77.7 | Confident | 9 Ų | 9 | 69.1 Ų | 69.1 | 5% | 0.048 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 111.2 | 175.3 | 174 | 25.9 | 0 | 0 | 0 | 110.8 | S1492 T1493 G1494 S1495 T1497 I1502 | D1490-S1492 VanDerWaalsContact CG-OG 3.22Å; D1490-S1492 PolarHBondContact O-N 2.82Å; D1490-S1492 WeakPolarHBondContact OD1-CB 3.48Å; D1490-S1492 PolarHBondContact OD1-N 3.15Å; D1490-S1492 PolarHBondContact OD1-OG 2.72Å; D1490-S1492 PolarHBondContact OD2-OG 3.34Å; D1490-T1493 VanDerWaalsContact OD2-CB 3.26Å; D1490-T1493 WeakPolarHBondContact OD2-CB 3.46Å; D1490-T1493 VanDerWaalsContact OD2-CG2 3.24Å; D1490-T1493 WeakPolarHBondContact OD2-CG2 3.31Å; D1490-T1493 PolarHBondContact OD2-N 3.35Å; D1490-T1493 PolarHBondContact OD2-OG1 2.76Å; D1490-G1494 WeakPolarHBondContact O-CA 3.06Å; D1490-G1494 PolarHBondContact O-N 3.45Å; D1490-S1495 PolarHBondContact N-O 3.08Å; D1490-T1497 HydrophobicContact CB-CG2 4.2Å; D1490-I1502 HydrophobicContact CB-CD1 3.91Å; D1490-I1502 HydrophobicContact CB-CG1 3.93Å; D1490-I1502 HydrophobicContact CB-CG2 4.12Å |
| 1491 | P | 79.2 | Confident | 77.4 | Confident | 51 Ų | 51 | 71.3 Ų | 71.3 | 33% | 0.331 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -8.4 | 174.9 | 27.2 | -32.1 | 0 | 0 | 0 | 114.3 | A1461 F1489 I1504 | A1461-P1491 HydrophobicContact CB-CB 3.88Å; A1461-P1491 HydrophobicContact CB-CG 4.22Å; F1489-P1491 HydrophobicContact CE1-CB 4.34Å; F1489-P1491 WeakPolarHBondContact O-CD 3.03Å; P1491-I1504 HydrophobicContact CG-CD1 3.67Å |
| 1492 | S | 78.2 | Confident | 77.4 | Confident | 100 Ų | 100 | 70.7 Ų | 70.7 | 70% | 0.699 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -37.9 | 176.8 | 81.1 | 0 | 0 | 0 | 0 | 113.2 | D1490 | D1490-S1492 VanDerWaalsContact CG-OG 3.22Å; D1490-S1492 PolarHBondContact O-N 2.82Å; D1490-S1492 WeakPolarHBondContact OD1-CB 3.48Å; D1490-S1492 PolarHBondContact OD1-N 3.15Å; D1490-S1492 PolarHBondContact OD1-OG 2.72Å; D1490-S1492 PolarHBondContact OD2-OG 3.34Å |
| 1493 | T | 86.1 | Confident | 77 | Confident | 97 Ų | 97 | 73.4 Ų | 73.4 | 60% | 0.595 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -15.7 | 173.3 | 58.3 | 0 | 0 | 0 | 0 | 114.4 | D1490 S1495 | D1490-T1493 VanDerWaalsContact OD2-CB 3.26Å; D1490-T1493 WeakPolarHBondContact OD2-CB 3.46Å; D1490-T1493 VanDerWaalsContact OD2-CG2 3.24Å; D1490-T1493 WeakPolarHBondContact OD2-CG2 3.31Å; D1490-T1493 PolarHBondContact OD2-N 3.35Å; D1490-T1493 PolarHBondContact OD2-OG1 2.76Å; T1493-S1495 VanDerWaalsContact C-N 3.3Å |
| 1494 | G | 87.8 | Confident | 76.3 | Confident | 22 Ų | 22 | 74.8 Ų | 74.8 | 23% | 0.227 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | 23.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | F1489 D1490 | F1489-G1494 VanDerWaalsContact CE2-C 3.47Å; F1489-G1494 WeakPolarHBondContact CE2-O 3.34Å; D1490-G1494 WeakPolarHBondContact O-CA 3.06Å; D1490-G1494 PolarHBondContact O-N 3.45Å |
| 1495 | S | 85.2 | Confident | 76.2 | Confident | 65 Ų | 65 | 71.6 Ų | 71.6 | 46% | 0.455 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 168.1 | -171.3 | -167.1 | 0 | 0 | 0 | 0 | 112.2 | D1490 T1493 | D1490-S1495 PolarHBondContact N-O 3.08Å; T1493-S1495 VanDerWaalsContact C-N 3.3Å |
| 1496 | C | 88.4 | Confident | 77.4 | Confident | 36 Ų | 36 | 71.3 Ų | 71.3 | 24% | 0.243 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 120.1 | 169.9 | -65.5 | 0 | 0 | 0 | 0 | 109.8 | C1483 L1487 Y1488 | C1483-C1496 WeakPolarHBondContact CA-SG 3.4Å; C1483-C1496 HydrophobicContact CB-CB 3.64Å; C1483-C1496 WeakPolarHBondContact CB-SG 3.12Å; C1483-C1496 WeakPolarHBondContact SG-CB 3.48Å; C1483-C1496 CovalentContact SG-SG 2.03Å; C1483-C1496 PolarHBondContact SG-SG 2.82Å; L1487-C1496 HydrophobicContact CB-CB 4.04Å; L1487-C1496 HydrophobicContact CD1-CB 4.24Å; Y1488-C1496 CarbonylContact O-C 3.58Å; Y1488-C1496 WeakPolarHBondContact O-CA 3.18Å |
| 1497 | T | 85.2 | Confident | 77.1 | Confident | 28 Ų | 28 | 70.3 Ų | 70.3 | 17% | 0.172 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 173.4 | 175.9 | -167.5 | 0 | 0 | 0 | 0 | 111.5 | L1487 Y1488 D1490 Q1501 I1502 | L1487-T1497 CarbonylContact C-O 3.5Å; L1487-T1497 WeakPolarHBondContact CA-O 3.47Å; Y1488-T1497 PolarHBondContact N-O 3.02Å; Y1488-T1497 PolarHBondContact O-N 3.07Å; Y1488-T1497 VanDerWaalsContact O-O 3.12Å; D1490-T1497 HydrophobicContact CB-CG2 4.2Å; T1497-Q1501 HydrophobicContact CG2-CB 3.99Å; T1497-Q1501 PolarHBondContact OG1-OE1 2.93Å; T1497-I1502 HydrophobicContact CG2-CD1 4.02Å; T1497-I1502 HydrophobicContact CG2-CG1 3.72Å |
| 1498 | I | 78.8 | Confident | 75 | Confident | 78 Ų | 78 | 71.5 Ų | 71.5 | 40% | 0.4 | 37% | 0.374 | S | S | . | . | trans | -61.7 | 138.7 | 177.1 | 59 | 175.1 | 0 | 0 | 0 | 110.4 | L1487 E1500 Q1501 | L1487-I1498 HydrophobicContact CD2-CG2 3.74Å; I1498-E1500 PolarHBondContact O-N 2.79Å; I1498-Q1501 HydrophobicContact CD1-CG 4.18Å; I1498-Q1501 HydrophobicContact CG1-CB 4.38Å; I1498-Q1501 HydrophobicContact CG1-CG 3.78Å; I1498-Q1501 PolarHBondContact O-N 3.48Å | ||
| 1499 | P | 63.4 | Low | 73 | Confident | 42 Ų | 42 | 71.8 Ų | 71.8 | 27% | 0.273 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -59.5 | -26.6 | -171.8 | 20.3 | -31.6 | 0 | 0 | 0 | 113.7 | Y1488 Q1501 I1502 C1505 | Y1488-P1499 HydrophobicContact CD2-CB 3.8Å; Y1488-P1499 HydrophobicContact CD2-CG 3.81Å; Y1488-P1499 HydrophobicContact CE2-CB 4.33Å; Y1488-P1499 HydrophobicContact CE2-CG 4.14Å; Y1488-P1499 HydrophobicContact CG-CB 3.94Å; Y1488-P1499 HydrophobicContact CG-CG 4.45Å; P1499-Q1501 PolarHBondContact O-N 3.17Å; P1499-I1502 PolarHBondContact O-N 2.04Å; P1499-C1505 HydrophobicContact CB-CB 4.07Å; P1499-C1505 WeakPolarHBondContact O-CB 3.13Å |
| 1500 | E | 68.2 | Low | 70.7 | Confident | 142 Ų | 142 | 78 Ų | 78 | 66% | 0.664 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -64.8 | -22.8 | 177.6 | -63.9 | -178.3 | -175.6 | 0 | 0 | 114.4 | I1498 I1502 R1506 | I1498-E1500 PolarHBondContact O-N 2.79Å; E1500-I1502 VanDerWaalsContact C-N 3.33Å; E1500-R1506 PolarHBondContact O-NE 3.43Å; E1500-R1506 PolarHBondContact O-NH2 3.5Å |
| 1501 | Q | 75.6 | Confident | 68.2 | Low | 115 Ų | 115 | 82.7 Ų | 82.7 | 54% | 0.537 | 46% | 0.455 | S | S | . | . | G | 310 helix | trans | -82.1 | -12.2 | 174.8 | -70.2 | 178.8 | 8.4 | 0 | 0 | 112.8 | T1497 I1498 P1499 | T1497-Q1501 HydrophobicContact CG2-CB 3.99Å; T1497-Q1501 PolarHBondContact OG1-OE1 2.93Å; I1498-Q1501 HydrophobicContact CD1-CG 4.18Å; I1498-Q1501 HydrophobicContact CG1-CB 4.38Å; I1498-Q1501 HydrophobicContact CG1-CG 3.78Å; I1498-Q1501 PolarHBondContact O-N 3.48Å; P1499-Q1501 PolarHBondContact O-N 3.17Å |
| 1502 | I | 76.9 | Confident | 66 | Low | 2 Ų | 2 | 84.1 Ų | 84.1 | 1% | 0.01 | 46% | 0.464 | C | S | . | . | trans | -98.2 | 116.1 | -170.8 | -46.2 | -176.4 | 0 | 0 | 0 | 109.4 | Y1488 D1490 T1497 P1499 E1500 I1504 C1505 R1506 | Y1488-I1502 WeakPolarHBondContact O-CD1 3.01Å; D1490-I1502 HydrophobicContact CB-CD1 3.91Å; D1490-I1502 HydrophobicContact CB-CG1 3.93Å; D1490-I1502 HydrophobicContact CB-CG2 4.12Å; T1497-I1502 HydrophobicContact CG2-CD1 4.02Å; T1497-I1502 HydrophobicContact CG2-CG1 3.72Å; P1499-I1502 PolarHBondContact O-N 2.04Å; E1500-I1502 VanDerWaalsContact C-N 3.33Å; I1502-I1504 VanDerWaalsContact C-N 3.27Å; I1502-I1504 PolarHBondContact O-N 2.8Å; I1502-C1505 HydrophobicContact CB-CB 3.98Å; I1502-C1505 WeakPolarHBondContact O-CA 3.43Å; I1502-C1505 WeakPolarHBondContact O-CB 3.45Å; I1502-C1505 PolarHBondContact O-N 3.22Å; I1502-R1506 PolarHBondContact O-N 3Å; I1502-R1506 VanDerWaalsContact O-N 3.16Å | ||
| 1503 | E | 72.9 | Confident | 63.7 | Low | 143 Ų | 143 | 84.7 Ų | 84.7 | 67% | 0.668 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -56.5 | -39.8 | -174.8 | -169.8 | 177.7 | -159.2 | 0 | 0 | 112.6 | C1505 R1506 F1507 | E1503-C1505 VanDerWaalsContact C-N 3.31Å; E1503-C1505 PolarHBondContact O-N 3.4Å; E1503-R1506 PolarHBondContact O-N 2.04Å; E1503-F1507 HydrophobicContact CG-CD2 4.14Å; E1503-F1507 HydrophobicContact CG-CE2 4.04Å; E1503-F1507 VanDerWaalsContact O-CD2 3.28Å; E1503-F1507 WeakPolarHBondContact O-CD2 3.49Å; E1503-F1507 PolarHBondContact O-N 2.74Å |
| 1504 | I | 66.8 | Low | 61.2 | Low | 42 Ų | 42 | 86.5 Ų | 86.5 | 22% | 0.215 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -66.2 | -32.5 | 177.4 | -58.1 | -179.5 | 0 | 0 | 0 | 112 | N1464 P1491 I1502 F1507 N1508 | N1464-I1504 HydrophobicContact CB-CD1 4.12Å; P1491-I1504 HydrophobicContact CG-CD1 3.67Å; I1502-I1504 VanDerWaalsContact C-N 3.27Å; I1502-I1504 PolarHBondContact O-N 2.8Å; I1504-F1507 PolarHBondContact O-N 3.03Å; I1504-N1508 WeakPolarHBondContact O-CB 3.48Å; I1504-N1508 PolarHBondContact O-N 3.24Å |
| 1505 | C | 69.7 | Low | 58.9 | Low | 24 Ų | 24 | 88.5 Ų | 88.5 | 16% | 0.162 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -70.7 | -34.2 | 175.4 | -71.1 | 0 | 0 | 0 | 0 | 112.5 | C1466 P1499 I1502 E1503 F1507 | C1466-C1505 VanDerWaalsContact CA-SG 3.54Å; C1466-C1505 HydrophobicContact CB-CB 3.85Å; C1466-C1505 WeakPolarHBondContact CB-SG 3.39Å; C1466-C1505 VanDerWaalsContact SG-CA 3.53Å; C1466-C1505 WeakPolarHBondContact SG-CB 3.44Å; C1466-C1505 CovalentContact SG-SG 2.03Å; C1466-C1505 PolarHBondContact SG-SG 2.88Å; P1499-C1505 HydrophobicContact CB-CB 4.07Å; P1499-C1505 WeakPolarHBondContact O-CB 3.13Å; I1502-C1505 HydrophobicContact CB-CB 3.98Å; I1502-C1505 WeakPolarHBondContact O-CA 3.43Å; I1502-C1505 WeakPolarHBondContact O-CB 3.45Å; I1502-C1505 PolarHBondContact O-N 3.22Å; E1503-C1505 VanDerWaalsContact C-N 3.31Å; E1503-C1505 PolarHBondContact O-N 3.4Å; C1505-F1507 PolarHBondContact O-N 3.3Å |
| 1506 | R | 69.8 | Low | 57.4 | Low | 184 Ų | 184 | 91.4 Ų | 91.4 | 69% | 0.694 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.4 | -24.9 | 172.9 | -75.1 | -177 | 167.3 | 160.6 | -2.1 | 113.7 | E1500 I1502 E1503 | E1500-R1506 PolarHBondContact O-NE 3.43Å; E1500-R1506 PolarHBondContact O-NH2 3.5Å; I1502-R1506 PolarHBondContact O-N 3Å; I1502-R1506 VanDerWaalsContact O-N 3.16Å; E1503-R1506 PolarHBondContact O-N 2.04Å |
| 1507 | F | 53.6 | Low | 56.6 | Low | 162 Ų | 162 | 91.2 Ų | 91.2 | 71% | 0.711 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -112.7 | -16.4 | -173 | -70 | -62.4 | 0 | 0 | 0 | 116.6 | E1503 I1504 C1505 | E1503-F1507 HydrophobicContact CG-CD2 4.14Å; E1503-F1507 HydrophobicContact CG-CE2 4.04Å; E1503-F1507 VanDerWaalsContact O-CD2 3.28Å; E1503-F1507 WeakPolarHBondContact O-CD2 3.49Å; E1503-F1507 PolarHBondContact O-N 2.74Å; I1504-F1507 PolarHBondContact O-N 3.03Å; C1505-F1507 PolarHBondContact O-N 3.3Å |
| 1508 | N | 35.6 | Very low | 56.2 | Low | 79 Ų | 79 | 93 Ų | 93 | 42% | 0.422 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -111.4 | 66.8 | -175.1 | -166 | 27.1 | 0 | 0 | 0 | 114.9 | I1504 | I1504-N1508 WeakPolarHBondContact O-CB 3.48Å; I1504-N1508 PolarHBondContact O-N 3.24Å |
| 1509 | S | 41.8 | Very low | 56.5 | Low | 82 Ų | 82 | 89.3 Ų | 89.3 | 57% | 0.573 | 47% | 0.472 | S | S | * | . | trans | -156.9 | 136.4 | 150 | -88.6 | 0 | 0 | 0 | 0 | 110.9 | I1511 | S1509-I1511 PolarHBondContact O-N 3.49Š| ||
| 1510 | S | 34.8 | Very low | 57.4 | Low | 135 Ų | 135 | 92.3 Ų | 92.3 | 94% | 0.944 | 49% | 0.49 | S | S | * | . | trans | -77 | 31 | 171.4 | -54.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1511 | I | 33.3 | Very low | 58 | Low | 107 Ų | 107 | 89.6 Ų | 89.6 | 55% | 0.549 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -79.1 | 118.1 | 167 | -71.3 | 170.6 | 0 | 0 | 0 | 104.9 | S1509 F1582 | S1509-I1511 PolarHBondContact O-N 3.49Å; I1511-F1582 HydrophobicContact CB-CZ 4.45Å; I1511-F1582 HydrophobicContact CG1-CE2 4.37Å; I1511-F1582 HydrophobicContact CG1-CZ 4.3Å; I1511-F1582 HydrophobicContact CG2-CZ 4.18Å |
| 1512 | P | 33.2 | Very low | 58.2 | Low | 81 Ų | 81 | 87 Ų | 87 | 53% | 0.526 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 133.7 | 177.2 | -23.3 | 33.7 | 0 | 0 | 0 | 110.4 | E1514 F1582 | P1512-E1514 PolarHBondContact O-N 3.45Å; P1512-F1582 VanDerWaalsContact CD-CE1 3.42Å; P1512-F1582 HydrophobicContact CG-CE1 4.04Å |
| 1513 | P | 31 | Very low | 58.5 | Low | 113 Ų | 113 | 91.5 Ų | 91.5 | 73% | 0.734 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -55.5 | 131.4 | 172.7 | -24.3 | 34 | 0 | 0 | 0 | 110.2 | ||
| 1514 | E | 34.4 | Very low | 59.1 | Low | 135 Ų | 135 | 89 Ų | 89 | 63% | 0.631 | 51% | 0.51 | S | S | * | . | trans | 46.3 | 106.8 | 164.7 | -57.9 | 139.1 | -131.4 | 0 | 0 | 117 | P1512 Q1516 | P1512-E1514 PolarHBondContact O-N 3.45Å; E1514-Q1516 HydrophobicContact CB-CB 4.37Å; E1514-Q1516 HydrophobicContact CB-CG 3.41Å; E1514-Q1516 VanDerWaalsContact CB-CG 3.41Å; E1514-Q1516 HydrophobicContact CG-CG 4.22Å; E1514-Q1516 PolarHBondContact O-N 2.04Å; E1514-Q1516 WeakPolarHBondContact OE2-CG 3.2Å; E1514-Q1516 PolarHBondContact OE2-NE2 2.79Å | ||
| 1515 | A | 39.1 | Very low | 60.2 | Low | 63 Ų | 63 | 88.4 Ų | 88.4 | 52% | 0.521 | 51% | 0.513 | S | S | . | . | trans | -67.7 | 76.8 | 139 | 0 | 0 | 0 | 0 | 0 | 107.9 | F1517 L1531 | A1515-F1517 PolarHBondContact O-N 2.86Å; A1515-L1531 HydrophobicContact CB-CD2 3.91Å; A1515-L1531 HydrophobicContact CB-CG 4.44Å | ||
| 1516 | Q | 52.2 | Low | 61.3 | Low | 127 Ų | 127 | 89.4 Ų | 89.4 | 59% | 0.593 | 52% | 0.517 | S | S | * | . | trans | -54.9 | 114.1 | -178.8 | -67.8 | -175.5 | -15.6 | 0 | 0 | 109.1 | E1514 N1518 | E1514-Q1516 HydrophobicContact CB-CB 4.37Å; E1514-Q1516 HydrophobicContact CB-CG 3.41Å; E1514-Q1516 VanDerWaalsContact CB-CG 3.41Å; E1514-Q1516 HydrophobicContact CG-CG 4.22Å; E1514-Q1516 PolarHBondContact O-N 2.04Å; E1514-Q1516 WeakPolarHBondContact OE2-CG 3.2Å; E1514-Q1516 PolarHBondContact OE2-NE2 2.79Å; Q1516-N1518 HydrophobicContact CB-CB 4.39Å; Q1516-N1518 PolarHBondContact O-N 3.38Å | ||
| 1517 | F | 72.2 | Confident | 62.1 | Low | 31 Ų | 31 | 83.4 Ų | 83.4 | 14% | 0.136 | 50% | 0.495 | C | S | . | . | trans | -71.5 | 109 | 160.7 | -172.1 | -86 | 0 | 0 | 0 | 107 | A1515 M1522 Y1527 P1530 Y1539 T1546 | A1515-F1517 PolarHBondContact O-N 2.86Å; F1517-M1522 HydrophobicContact CD1-CE 4.49Å; F1517-M1522 HydrophobicContact CD2-CE 4.47Å; F1517-M1522 HydrophobicContact CE1-CE 3.73Å; F1517-M1522 HydrophobicContact CE2-CE 3.69Å; F1517-M1522 HydrophobicContact CE2-SD 4.24Å; F1517-M1522 HydrophobicContact CZ-CE 3.23Å; F1517-M1522 HydrophobicContact CZ-SD 3.92Å; F1517-Y1527 HydrophobicContact CE1-CD2 4.31Å; F1517-Y1527 HydrophobicContact CE1-CG 4.25Å; F1517-Y1527 HydrophobicContact CE2-CD1 4.5Å; F1517-Y1527 HydrophobicContact CE2-CG 4.21Å; F1517-Y1527 AromaticContact CZ-CD1 3.98Å; F1517-Y1527 HydrophobicContact CZ-CD1 3.98Å; F1517-Y1527 AromaticContact CZ-CD2 3.88Å; F1517-Y1527 HydrophobicContact CZ-CD2 3.88Å; F1517-Y1527 AromaticContact CZ-CG 3.44Å; F1517-Y1527 HydrophobicContact CZ-CG 3.44Å; F1517-Y1527 VanDerWaalsContact CZ-CG 3.44Å; F1517-P1530 HydrophobicContact CB-CG 4.1Å; F1517-P1530 HydrophobicContact CD2-CB 4.43Å; F1517-P1530 HydrophobicContact CD2-CG 3.91Å; F1517-P1530 HydrophobicContact CG-CG 4.48Å; F1517-Y1539 HydrophobicContact CB-CD1 4.1Å; F1517-Y1539 HydrophobicContact CB-CD2 3.62Å; F1517-Y1539 HydrophobicContact CB-CE1 4.17Å; F1517-Y1539 HydrophobicContact CB-CE2 3.73Å; F1517-Y1539 HydrophobicContact CB-CG 3.81Å; F1517-Y1539 HydrophobicContact CD1-CD1 4.07Å; F1517-Y1539 AromaticContact CD1-CD2 3.9Å; F1517-Y1539 HydrophobicContact CD1-CD2 3.9Å; F1517-Y1539 AromaticContact CD1-CG 3.47Å; F1517-Y1539 HydrophobicContact CD1-CG 3.47Å; F1517-Y1539 VanDerWaalsContact CD1-CG 3.47Å; F1517-Y1539 HydrophobicContact CD2-CD2 4.18Å; F1517-Y1539 VanDerWaalsContact CE1-CB 3.49Å; F1517-Y1539 HydrophobicContact CE1-CG 4.23Å; F1517-Y1539 HydrophobicContact CG-CD1 4.34Å; F1517-Y1539 AromaticContact CG-CD2 3.59Å; F1517-Y1539 HydrophobicContact CG-CD2 3.59Å; F1517-Y1539 HydrophobicContact CG-CE2 4.21Å; F1517-Y1539 AromaticContact CG-CG 3.67Å; F1517-Y1539 HydrophobicContact CG-CG 3.67Å; F1517-T1546 HydrophobicContact CD1-CG2 3.91Å; F1517-T1546 WeakPolarHBondContact O-CG2 3.34Å; F1517-T1546 PolarHBondContact O-OG1 3.43Å | ||
| 1518 | N | 76.7 | Confident | 63.8 | Low | 66 Ų | 66 | 76.8 Ų | 76.8 | 35% | 0.353 | 47% | 0.469 | S | S | . | . | trans | -128.3 | 113.1 | -168.6 | -174.2 | -18.4 | 0 | 0 | 0 | 109.5 | Q1516 T1520 M1522 T1546 | Q1516-N1518 HydrophobicContact CB-CB 4.39Å; Q1516-N1518 PolarHBondContact O-N 3.38Å; N1518-T1520 PolarHBondContact O-N 3.38Å; N1518-T1520 VanDerWaalsContact O-N 3.12Å; N1518-T1520 VanDerWaalsContact OD1-CG2 3.31Å; N1518-T1520 WeakPolarHBondContact OD1-CG2 3.47Å; N1518-T1520 PolarHBondContact OD1-N 2.95Å; N1518-T1520 VanDerWaalsContact OD1-N 3.15Å; N1518-T1520 PolarHBondContact OD1-OG1 2.93Å; N1518-T1520 VanDerWaalsContact OD1-OG1 3.13Å; N1518-M1522 WeakPolarHBondContact O-CE 3.36Å; N1518-T1546 WeakPolarHBondContact CA-OG1 3.28Å | ||
| 1519 | C | 86.7 | Confident | 66 | Low | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 45% | 0.45 | C | S | . | . | trans | -68.5 | -2.1 | -175.4 | -68.7 | 0 | 0 | 0 | 0 | 115.2 | G1521 M1522 C1541 G1544 Q1545 T1546 | C1519-G1521 PolarHBondContact O-N 2.67Å; C1519-M1522 PolarHBondContact O-N 2.83Å; C1519-C1541 HydrophobicContact CB-CB 3.63Å; C1519-C1541 WeakPolarHBondContact CB-SG 3.5Å; C1519-C1541 WeakPolarHBondContact SG-CA 3.21Å; C1519-C1541 WeakPolarHBondContact SG-CB 3.38Å; C1519-C1541 CovalentContact SG-SG 2.03Å; C1519-C1541 PolarHBondContact SG-SG 2.84Å; C1519-G1544 CarbonylContact C-O 3.55Å; C1519-G1544 VanDerWaalsContact CB-C 3.49Å; C1519-G1544 WeakPolarHBondContact CB-O 3.34Å; C1519-Q1545 PolarHBondContact SG-O 2.82Å; C1519-T1546 PolarHBondContact N-OG1 2.89Å; C1519-T1546 VanDerWaalsContact N-OG1 3.09Å; C1519-T1546 PolarHBondContact SG-OG1 2.99Å; C1519-T1546 VanDerWaalsContact SG-OG1 3.33Å | ||
| 1520 | T | 81.3 | Confident | 67.4 | Low | 105 Ų | 105 | 72.6 Ų | 72.6 | 64% | 0.644 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | 107.1 | 174.1 | 52.4 | 0 | 0 | 0 | 0 | 112.1 | N1518 | N1518-T1520 PolarHBondContact O-N 3.38Å; N1518-T1520 VanDerWaalsContact O-N 3.12Å; N1518-T1520 VanDerWaalsContact OD1-CG2 3.31Å; N1518-T1520 WeakPolarHBondContact OD1-CG2 3.47Å; N1518-T1520 PolarHBondContact OD1-N 2.95Å; N1518-T1520 VanDerWaalsContact OD1-N 3.15Å; N1518-T1520 PolarHBondContact OD1-OG1 2.93Å; N1518-T1520 VanDerWaalsContact OD1-OG1 3.13Å |
| 1521 | G | 80.6 | Confident | 68.7 | Low | 85 Ų | 85 | 71.4 Ų | 71.4 | 88% | 0.876 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85 | 7.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | C1519 | C1519-G1521 PolarHBondContact O-N 2.67Š|
| 1522 | M | 80.8 | Confident | 70.7 | Confident | 61 Ų | 61 | 74 Ų | 74 | 30% | 0.3 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -97 | 141.6 | 164.9 | -75.9 | -172.4 | -70.3 | 0 | 0 | 109.9 | F1517 N1518 C1519 Y1527 | F1517-M1522 HydrophobicContact CD1-CE 4.49Å; F1517-M1522 HydrophobicContact CD2-CE 4.47Å; F1517-M1522 HydrophobicContact CE1-CE 3.73Å; F1517-M1522 HydrophobicContact CE2-CE 3.69Å; F1517-M1522 HydrophobicContact CE2-SD 4.24Å; F1517-M1522 HydrophobicContact CZ-CE 3.23Å; F1517-M1522 HydrophobicContact CZ-SD 3.92Å; N1518-M1522 WeakPolarHBondContact O-CE 3.36Å; C1519-M1522 PolarHBondContact O-N 2.83Å; M1522-Y1527 HydrophobicContact SD-CD1 4.21Å; M1522-Y1527 HydrophobicContact SD-CE1 3.95Å |
| 1523 | P | 82.2 | Confident | 72.6 | Confident | 97 Ų | 97 | 74.3 Ų | 74.3 | 63% | 0.63 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 156.4 | 171.4 | -23.2 | 33.5 | 0 | 0 | 0 | 112.4 | Y1527 | P1523-Y1527 WeakPolarHBondContact CD-OH 3.32Å; P1523-Y1527 VanDerWaalsContact O-CE2 3.31Å; P1523-Y1527 WeakPolarHBondContact O-CE2 3.25Å; P1523-Y1527 PolarHBondContact O-OH 2.72Å |
| 1524 | D | 86.7 | Confident | 75.2 | Confident | 91 Ų | 91 | 70.4 Ų | 70.4 | 49% | 0.487 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -67.2 | 145 | 176.2 | -62 | -33.5 | 0 | 0 | 0 | 112 | C1541 N1542 G1543 G1544 | D1524-C1541 CarbonylContact C-O 3.55Å; D1524-C1541 VanDerWaalsContact CA-O 3.22Å; D1524-C1541 WeakPolarHBondContact CA-O 3.08Å; D1524-C1541 WeakPolarHBondContact CB-O 3.45Å; D1524-N1542 VanDerWaalsContact OD1-C 3.26Å; D1524-N1542 WeakPolarHBondContact OD1-CA 3.45Å; D1524-N1542 PolarHBondContact OD1-N 3.14Å; D1524-G1543 PolarHBondContact OD1-N 2.02Å; D1524-G1543 PolarHBondContact OD2-N 2.86Å; D1524-G1543 VanDerWaalsContact OD2-N 3.16Å; D1524-G1544 PolarHBondContact OD1-N 3.36Å |
| 1525 | G | 89.6 | Confident | 77.6 | Confident | 28 Ų | 28 | 64.6 Ų | 64.6 | 29% | 0.289 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 138.1 | 179 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y1527 C1541 | G1525-Y1527 WeakPolarHBondContact O-CD2 3.48Å; G1525-Y1527 VanDerWaalsContact O-CE2 3.31Å; G1525-Y1527 WeakPolarHBondContact O-CE2 3.18Å; G1525-C1541 PolarHBondContact N-O 2.87Å; G1525-C1541 PolarHBondContact O-N 2.92Å |
| 1526 | N | 91.6 | Very high | 79.8 | Confident | 45 Ų | 45 | 63.4 Ų | 63.4 | 24% | 0.241 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 141.8 | -175 | -55.3 | -24.5 | 0 | 0 | 0 | 111.8 | Y1538 S1540 F1557 L1562 | N1526-Y1538 HydrophobicContact CB-CD2 3.75Å; N1526-Y1538 HydrophobicContact CB-CE2 3.73Å; N1526-Y1538 WeakPolarHBondContact OD1-CE2 3.29Å; N1526-S1540 PolarHBondContact OD1-OG 2.88Å; N1526-F1557 HydrophobicContact CB-CE2 3.48Å; N1526-F1557 VanDerWaalsContact CB-CE2 3.48Å; N1526-F1557 HydrophobicContact CB-CZ 3.51Å; N1526-L1562 HydrophobicContact CB-CB 4.39Å; N1526-L1562 PolarHBondContact ND2-O 3.2Å |
| 1527 | Y | 87.6 | Confident | 81.5 | Confident | 59 Ų | 59 | 59.2 Ų | 59.2 | 23% | 0.231 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 139.6 | -177 | -66 | -95.4 | 0 | 0 | 0 | 112.2 | F1517 M1522 P1523 G1525 Y1538 Y1539 C1541 | F1517-Y1527 HydrophobicContact CE1-CD2 4.31Å; F1517-Y1527 HydrophobicContact CE1-CG 4.25Å; F1517-Y1527 HydrophobicContact CE2-CD1 4.5Å; F1517-Y1527 HydrophobicContact CE2-CG 4.21Å; F1517-Y1527 AromaticContact CZ-CD1 3.98Å; F1517-Y1527 HydrophobicContact CZ-CD1 3.98Å; F1517-Y1527 AromaticContact CZ-CD2 3.88Å; F1517-Y1527 HydrophobicContact CZ-CD2 3.88Å; F1517-Y1527 AromaticContact CZ-CG 3.44Å; F1517-Y1527 HydrophobicContact CZ-CG 3.44Å; F1517-Y1527 VanDerWaalsContact CZ-CG 3.44Å; M1522-Y1527 HydrophobicContact SD-CD1 4.21Å; M1522-Y1527 HydrophobicContact SD-CE1 3.95Å; P1523-Y1527 WeakPolarHBondContact CD-OH 3.32Å; P1523-Y1527 VanDerWaalsContact O-CE2 3.31Å; P1523-Y1527 WeakPolarHBondContact O-CE2 3.25Å; P1523-Y1527 PolarHBondContact O-OH 2.72Å; G1525-Y1527 WeakPolarHBondContact O-CD2 3.48Å; G1525-Y1527 VanDerWaalsContact O-CE2 3.31Å; G1525-Y1527 WeakPolarHBondContact O-CE2 3.18Å; Y1527-Y1538 WeakPolarHBondContact O-CB 3.32Å; Y1527-Y1539 PolarHBondContact N-O 3.45Å; Y1527-Y1539 PolarHBondContact O-N 3.26Å; Y1527-C1541 HydrophobicContact CD2-CB 4.25Å; Y1527-C1541 VanDerWaalsContact CD2-SG 3.51Å; Y1527-C1541 HydrophobicContact CE2-CB 3.84Å; Y1527-C1541 WeakPolarHBondContact CE2-SG 3.42Å |
| 1528 | S | 88.8 | Confident | 82.4 | Confident | 23 Ų | 23 | 59.3 Ų | 59.3 | 16% | 0.161 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 148.5 | 176.9 | -49.6 | 0 | 0 | 0 | 0 | 112.1 | P1530 F1557 P1559 | S1528-P1530 WeakPolarHBondContact O-CD 3.13Å; S1528-F1557 WeakPolarHBondContact OG-CD1 3.21Å; S1528-F1557 WeakPolarHBondContact OG-CE1 3.25Å; S1528-P1559 WeakPolarHBondContact OG-CA 3.28Å; S1528-P1559 VanDerWaalsContact OG-CB 3.22Å; S1528-P1559 WeakPolarHBondContact OG-CB 3.49Å; S1528-P1559 VanDerWaalsContact OG-CG 3.3Å; S1528-P1559 WeakPolarHBondContact OG-CG 3.41Å |
| 1529 | N | 81 | Confident | 83.1 | Confident | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.021 | 34% | 0.335 | C | S | . | . | trans | -55.3 | 118.6 | 169.2 | 173.1 | -10.1 | 0 | 0 | 0 | 110.5 | L1531 Y1532 N1533 S1535 F1537 Y1539 | N1529-L1531 PolarHBondContact O-N 2.63Å; N1529-L1531 WeakPolarHBondContact OD1-CB 3.39Å; N1529-L1531 PolarHBondContact OD1-N 3.42Å; N1529-Y1532 WeakPolarHBondContact CB-O 3.4Å; N1529-Y1532 CarbonylContact O-C 3.56Å; N1529-Y1532 PolarHBondContact O-N 3.12Å; N1529-Y1532 PolarHBondContact OD1-N 2.79Å; N1529-N1533 PolarHBondContact O-N 3.18Å; N1529-S1535 PolarHBondContact ND2-OG 3.19Å; N1529-F1537 HydrophobicContact CB-CE2 4.22Å; N1529-F1537 WeakPolarHBondContact ND2-CE2 3.43Å; N1529-F1537 WeakPolarHBondContact ND2-CZ 3.37Å; N1529-Y1539 HydrophobicContact CB-CE2 4.23Å | ||
| 1530 | P | 72.4 | Confident | 83.3 | Confident | 68 Ų | 68 | 59.3 Ų | 59.3 | 44% | 0.442 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -75.4 | -9.5 | -172.4 | 33.7 | -39.1 | 0 | 0 | 0 | 113.9 | F1517 S1528 | F1517-P1530 HydrophobicContact CB-CG 4.1Å; F1517-P1530 HydrophobicContact CD2-CB 4.43Å; F1517-P1530 HydrophobicContact CD2-CG 3.91Å; F1517-P1530 HydrophobicContact CG-CG 4.48Å; S1528-P1530 WeakPolarHBondContact O-CD 3.13Å |
| 1531 | L | 62.1 | Low | 83.8 | Confident | 110 Ų | 110 | 54.4 Ų | 54.4 | 58% | 0.576 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -90 | -32.1 | 172.3 | -63.7 | 172.9 | 0 | 0 | 0 | 111.5 | A1515 N1529 | A1515-L1531 HydrophobicContact CB-CD2 3.91Å; A1515-L1531 HydrophobicContact CB-CG 4.44Å; N1529-L1531 PolarHBondContact O-N 2.63Å; N1529-L1531 WeakPolarHBondContact OD1-CB 3.39Å; N1529-L1531 PolarHBondContact OD1-N 3.42Å |
| 1532 | Y | 75.7 | Confident | 84.1 | Confident | 162 Ų | 162 | 56.1 Ų | 56.1 | 64% | 0.635 | 30% | 0.302 | S | S | * | . | trans | -144.4 | 92.3 | -175.2 | -56.1 | -71.9 | 0 | 0 | 0 | 110.3 | N1529 C1534 S1535 | N1529-Y1532 WeakPolarHBondContact CB-O 3.4Å; N1529-Y1532 CarbonylContact O-C 3.56Å; N1529-Y1532 PolarHBondContact O-N 3.12Å; N1529-Y1532 PolarHBondContact OD1-N 2.79Å; Y1532-C1534 CarbonylContact O-C 3.53Å; Y1532-C1534 PolarHBondContact O-N 2.76Å; Y1532-C1534 VanDerWaalsContact O-N 3.14Å; Y1532-S1535 WeakPolarHBondContact O-CB 3.37Å | ||
| 1533 | N | 72.8 | Confident | 84.2 | Confident | 88 Ų | 88 | 55.9 Ų | 55.9 | 47% | 0.471 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -58.6 | -30.3 | -176.5 | -61.1 | 21.8 | 0 | 0 | 0 | 113.4 | N1529 E1572 | N1529-N1533 PolarHBondContact O-N 3.18Å; N1533-E1572 HydrophobicContact CB-CB 4.16Å; N1533-E1572 HydrophobicContact CB-CG 3.64Å |
| 1534 | C | 84.4 | Confident | 84.2 | Confident | 31 Ų | 31 | 52.4 Ų | 52.4 | 21% | 0.209 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -87.7 | 109.7 | 162.6 | 175.7 | 0 | 0 | 0 | 0 | 108.8 | Y1532 F1556 E1572 C1573 | Y1532-C1534 CarbonylContact O-C 3.53Å; Y1532-C1534 PolarHBondContact O-N 2.76Å; Y1532-C1534 VanDerWaalsContact O-N 3.14Å; C1534-F1556 VanDerWaalsContact SG-CD1 3.52Å; C1534-E1572 HydrophobicContact CB-CB 4.42Å; C1534-C1573 HydrophobicContact CB-CB 3.91Å; C1534-C1573 WeakPolarHBondContact CB-SG 3.04Å; C1534-C1573 WeakPolarHBondContact SG-CA 3.22Å; C1534-C1573 WeakPolarHBondContact SG-CB 3.05Å; C1534-C1573 CovalentContact SG-SG 2.04Å; C1534-C1573 PolarHBondContact SG-SG 3.3Å |
| 1535 | S | 86 | Confident | 83.9 | Confident | 13 Ų | 13 | 52.6 Ų | 52.6 | 9% | 0.091 | 30% | 0.295 | C | S | . | . | trans | -150.9 | 150.1 | 176.5 | -160.8 | 0 | 0 | 0 | 0 | 111.5 | N1529 Y1532 F1537 F1556 F1557 | N1529-S1535 PolarHBondContact ND2-OG 3.19Å; Y1532-S1535 WeakPolarHBondContact O-CB 3.37Å; S1535-F1537 WeakPolarHBondContact CB-O 3.49Å; S1535-F1537 PolarHBondContact O-N 3.35Å; S1535-F1537 WeakPolarHBondContact OG-CD1 3.35Å; S1535-F1537 WeakPolarHBondContact OG-CE1 3.4Å; S1535-F1556 VanDerWaalsContact C-CD1 3.47Å; S1535-F1556 WeakPolarHBondContact O-CA 3.42Å; S1535-F1557 PolarHBondContact O-N 2.85Å | ||
| 1536 | S | 85.3 | Confident | 83.6 | Confident | 38 Ų | 38 | 53.9 Ų | 53.9 | 27% | 0.266 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -82.4 | 7.7 | 173.4 | 56.5 | 0 | 0 | 0 | 0 | 112.9 | C1551 | S1536-C1551 WeakPolarHBondContact O-CB 3.33Å; S1536-C1551 PolarHBondContact O-N 3.36Å |
| 1537 | F | 87.8 | Confident | 83.2 | Confident | 38 Ų | 38 | 53.8 Ų | 53.8 | 17% | 0.167 | 30% | 0.3 | C | S | . | . | B | Isolated β-bridge | trans | -137 | 157 | 168.6 | 70.9 | -96.9 | 0 | 0 | 0 | 110.3 | N1529 S1535 Y1539 R1548 E1549 | N1529-F1537 HydrophobicContact CB-CE2 4.22Å; N1529-F1537 WeakPolarHBondContact ND2-CE2 3.43Å; N1529-F1537 WeakPolarHBondContact ND2-CZ 3.37Å; S1535-F1537 WeakPolarHBondContact CB-O 3.49Å; S1535-F1537 PolarHBondContact O-N 3.35Å; S1535-F1537 WeakPolarHBondContact OG-CD1 3.35Å; S1535-F1537 WeakPolarHBondContact OG-CE1 3.4Å; F1537-Y1539 HydrophobicContact CE2-CE2 4.09Å; F1537-Y1539 AromaticContact CE2-CZ 4Å; F1537-R1548 HydrophobicContact CD2-CG 3.59Å; F1537-R1548 HydrophobicContact CE2-CG 4.02Å; F1537-R1548 VanDerWaalsContact CE2-NE 3.29Å; F1537-R1548 HydrophobicContact CG-CG 4.35Å; F1537-E1549 CarbonylContact C-O 3.48Å; F1537-E1549 WeakPolarHBondContact CA-O 3.37Å; F1537-E1549 VanDerWaalsContact CB-O 3.27Å; F1537-E1549 WeakPolarHBondContact CB-O 3.02Å |
| 1538 | Y | 90.9 | Very high | 83.3 | Confident | 34 Ų | 34 | 56.6 Ų | 56.6 | 13% | 0.133 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | -179.8 | 178.3 | 64.6 | -85.5 | 0 | 0 | 0 | 109.8 | N1526 Y1527 R1548 E1549 F1557 C1564 | N1526-Y1538 HydrophobicContact CB-CD2 3.75Å; N1526-Y1538 HydrophobicContact CB-CE2 3.73Å; N1526-Y1538 WeakPolarHBondContact OD1-CE2 3.29Å; Y1527-Y1538 WeakPolarHBondContact O-CB 3.32Å; Y1538-R1548 CarbonylContact O-C 3.59Å; Y1538-R1548 WeakPolarHBondContact O-CA 3.18Å; Y1538-E1549 HydrophobicContact CD1-CB 4.01Å; Y1538-E1549 HydrophobicContact CD2-CB 4.09Å; Y1538-E1549 HydrophobicContact CE1-CB 3.51Å; Y1538-E1549 HydrophobicContact CE2-CB 3.61Å; Y1538-E1549 HydrophobicContact CE2-CG 3.86Å; Y1538-E1549 HydrophobicContact CG-CB 4.28Å; Y1538-E1549 PolarHBondContact N-O 2.96Å; Y1538-E1549 PolarHBondContact O-N 3.34Å; Y1538-F1557 VanDerWaalsContact CB-CD2 3.46Å; Y1538-F1557 VanDerWaalsContact CB-CG 3.43Å; Y1538-F1557 HydrophobicContact CD1-CB 4.27Å; Y1538-F1557 AromaticContact CD1-CD2 3.5Å; Y1538-F1557 HydrophobicContact CD1-CD2 3.5Å; Y1538-F1557 VanDerWaalsContact CD1-CD2 3.5Å; Y1538-F1557 HydrophobicContact CD1-CE2 4.15Å; Y1538-F1557 HydrophobicContact CD1-CG 4.14Å; Y1538-F1557 AromaticContact CD2-CD2 3.97Å; Y1538-F1557 HydrophobicContact CD2-CD2 3.97Å; Y1538-F1557 AromaticContact CD2-CE2 3.81Å; Y1538-F1557 HydrophobicContact CD2-CE2 3.81Å; Y1538-F1557 HydrophobicContact CD2-CZ 4.47Å; Y1538-F1557 HydrophobicContact CE1-CD2 4.18Å; Y1538-F1557 HydrophobicContact CE2-CE2 4.32Å; Y1538-F1557 HydrophobicContact CG-CB 4.38Å; Y1538-F1557 AromaticContact CG-CD2 3.37Å; Y1538-F1557 HydrophobicContact CG-CD2 3.37Å; Y1538-F1557 AromaticContact CG-CE2 3.71Å; Y1538-F1557 HydrophobicContact CG-CE2 3.71Å; Y1538-F1557 AromaticContact CG-CG 3.91Å; Y1538-F1557 HydrophobicContact CG-CG 3.91Å; Y1538-F1557 HydrophobicContact CG-CZ 4.48Å; Y1538-C1564 VanDerWaalsContact CE1-SG 3.6Å |
| 1539 | Y | 91.8 | Very high | 83.2 | Confident | 41 Ų | 41 | 59.3 Ų | 59.3 | 16% | 0.161 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 126 | 174.5 | -66.2 | -78.1 | 0 | 0 | 0 | 109.5 | F1517 Y1527 N1529 F1537 T1546 S1547 R1548 | F1517-Y1539 HydrophobicContact CB-CD1 4.1Å; F1517-Y1539 HydrophobicContact CB-CD2 3.62Å; F1517-Y1539 HydrophobicContact CB-CE1 4.17Å; F1517-Y1539 HydrophobicContact CB-CE2 3.73Å; F1517-Y1539 HydrophobicContact CB-CG 3.81Å; F1517-Y1539 HydrophobicContact CD1-CD1 4.07Å; F1517-Y1539 AromaticContact CD1-CD2 3.9Å; F1517-Y1539 HydrophobicContact CD1-CD2 3.9Å; F1517-Y1539 AromaticContact CD1-CG 3.47Å; F1517-Y1539 HydrophobicContact CD1-CG 3.47Å; F1517-Y1539 VanDerWaalsContact CD1-CG 3.47Å; F1517-Y1539 HydrophobicContact CD2-CD2 4.18Å; F1517-Y1539 VanDerWaalsContact CE1-CB 3.49Å; F1517-Y1539 HydrophobicContact CE1-CG 4.23Å; F1517-Y1539 HydrophobicContact CG-CD1 4.34Å; F1517-Y1539 AromaticContact CG-CD2 3.59Å; F1517-Y1539 HydrophobicContact CG-CD2 3.59Å; F1517-Y1539 HydrophobicContact CG-CE2 4.21Å; F1517-Y1539 AromaticContact CG-CG 3.67Å; F1517-Y1539 HydrophobicContact CG-CG 3.67Å; Y1527-Y1539 PolarHBondContact N-O 3.45Å; Y1527-Y1539 PolarHBondContact O-N 3.26Å; N1529-Y1539 HydrophobicContact CB-CE2 4.23Å; F1537-Y1539 HydrophobicContact CE2-CE2 4.09Å; F1537-Y1539 AromaticContact CE2-CZ 4Å; Y1539-T1546 HydrophobicContact CD1-CG2 3.46Å; Y1539-T1546 VanDerWaalsContact CD1-CG2 3.46Å; Y1539-T1546 HydrophobicContact CE1-CG2 4.25Å; Y1539-T1546 HydrophobicContact CG-CG2 4.15Å; Y1539-S1547 CarbonylContact C-O 3.6Å; Y1539-S1547 VanDerWaalsContact CA-O 3.22Å; Y1539-S1547 WeakPolarHBondContact CA-O 3.41Å; Y1539-R1548 HydrophobicContact CD1-CB 3.97Å; Y1539-R1548 HydrophobicContact CD1-CG 4.15Å; Y1539-R1548 HydrophobicContact CE1-CB 3.83Å; Y1539-R1548 HydrophobicContact CE1-CG 3.78Å |
| 1540 | S | 91.2 | Very high | 83.5 | Confident | 24 Ų | 24 | 64.9 Ų | 64.9 | 17% | 0.168 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 136 | 170.3 | -167.1 | 0 | 0 | 0 | 0 | 109.3 | N1526 T1546 S1547 | N1526-S1540 PolarHBondContact OD1-OG 2.88Å; S1540-T1546 WeakPolarHBondContact O-CA 3.42Å; S1540-S1547 WeakPolarHBondContact CB-OG 3.39Å; S1540-S1547 PolarHBondContact N-O 3.46Å; S1540-S1547 PolarHBondContact O-N 3.37Å |
| 1541 | C | 91.6 | Very high | 84.3 | Confident | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.014 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 126.2 | 165.3 | -62.1 | 0 | 0 | 0 | 0 | 109.2 | C1519 D1524 G1525 Y1527 Q1545 | C1519-C1541 HydrophobicContact CB-CB 3.63Å; C1519-C1541 WeakPolarHBondContact CB-SG 3.5Å; C1519-C1541 WeakPolarHBondContact SG-CA 3.21Å; C1519-C1541 WeakPolarHBondContact SG-CB 3.38Å; C1519-C1541 CovalentContact SG-SG 2.03Å; C1519-C1541 PolarHBondContact SG-SG 2.84Å; D1524-C1541 CarbonylContact C-O 3.55Å; D1524-C1541 VanDerWaalsContact CA-O 3.22Å; D1524-C1541 WeakPolarHBondContact CA-O 3.08Å; D1524-C1541 WeakPolarHBondContact CB-O 3.45Å; G1525-C1541 PolarHBondContact N-O 2.87Å; G1525-C1541 PolarHBondContact O-N 2.92Å; Y1527-C1541 HydrophobicContact CD2-CB 4.25Å; Y1527-C1541 VanDerWaalsContact CD2-SG 3.51Å; Y1527-C1541 HydrophobicContact CE2-CB 3.84Å; Y1527-C1541 WeakPolarHBondContact CE2-SG 3.42Å; C1541-Q1545 WeakPolarHBondContact CA-O 3.16Å |
| 1542 | N | 86.4 | Confident | 85 | Confident | 121 Ų | 121 | 60.1 Ų | 60.1 | 65% | 0.647 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 124 | 170.2 | -171.2 | 26.5 | 0 | 0 | 0 | 109.3 | D1524 G1544 Q1545 | D1524-N1542 VanDerWaalsContact OD1-C 3.26Å; D1524-N1542 WeakPolarHBondContact OD1-CA 3.45Å; D1524-N1542 PolarHBondContact OD1-N 3.14Å; N1542-G1544 PolarHBondContact O-N 3.45Å; N1542-G1544 VanDerWaalsContact O-N 3.11Å; N1542-Q1545 PolarHBondContact N-O 2.93Å; N1542-Q1545 WeakPolarHBondContact O-CB 3.4Å; N1542-Q1545 PolarHBondContact O-N 3.09Å |
| 1543 | G | 82.2 | Confident | 84.8 | Confident | 57 Ų | 57 | 61.8 Ų | 61.8 | 59% | 0.588 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 21.2 | -170 | 0 | 0 | 0 | 0 | 0 | 113.9 | D1524 Q1545 | D1524-G1543 PolarHBondContact OD1-N 2.02Å; D1524-G1543 PolarHBondContact OD2-N 2.86Å; D1524-G1543 VanDerWaalsContact OD2-N 3.16Å; G1543-Q1545 VanDerWaalsContact C-N 3.27Å; G1543-Q1545 PolarHBondContact O-N 3.35Å |
| 1544 | G | 83.4 | Confident | 84.2 | Confident | 24 Ų | 24 | 67.7 Ų | 67.7 | 25% | 0.247 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 7.3 | -170.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | C1519 D1524 N1542 | C1519-G1544 CarbonylContact C-O 3.55Å; C1519-G1544 VanDerWaalsContact CB-C 3.49Å; C1519-G1544 WeakPolarHBondContact CB-O 3.34Å; D1524-G1544 PolarHBondContact OD1-N 3.36Å; N1542-G1544 PolarHBondContact O-N 3.45Å; N1542-G1544 VanDerWaalsContact O-N 3.11Å |
| 1545 | Q | 80.1 | Confident | 84.3 | Confident | 95 Ų | 95 | 68.2 Ų | 68.2 | 44% | 0.444 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 145.8 | 164.4 | -62.6 | -170.1 | 10.1 | 0 | 0 | 110.6 | C1519 C1541 N1542 G1543 | C1519-Q1545 PolarHBondContact SG-O 2.82Å; C1541-Q1545 WeakPolarHBondContact CA-O 3.16Å; N1542-Q1545 PolarHBondContact N-O 2.93Å; N1542-Q1545 WeakPolarHBondContact O-CB 3.4Å; N1542-Q1545 PolarHBondContact O-N 3.09Å; G1543-Q1545 VanDerWaalsContact C-N 3.27Å; G1543-Q1545 PolarHBondContact O-N 3.35Å |
| 1546 | T | 83.4 | Confident | 84.4 | Confident | 54 Ų | 54 | 70 Ų | 70 | 33% | 0.331 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 119 | 172 | -56.5 | 0 | 0 | 0 | 0 | 110.8 | F1517 N1518 C1519 Y1539 S1540 | F1517-T1546 HydrophobicContact CD1-CG2 3.91Å; F1517-T1546 WeakPolarHBondContact O-CG2 3.34Å; F1517-T1546 PolarHBondContact O-OG1 3.43Å; N1518-T1546 WeakPolarHBondContact CA-OG1 3.28Å; C1519-T1546 PolarHBondContact N-OG1 2.89Å; C1519-T1546 VanDerWaalsContact N-OG1 3.09Å; C1519-T1546 PolarHBondContact SG-OG1 2.99Å; C1519-T1546 VanDerWaalsContact SG-OG1 3.33Å; Y1539-T1546 HydrophobicContact CD1-CG2 3.46Å; Y1539-T1546 VanDerWaalsContact CD1-CG2 3.46Å; Y1539-T1546 HydrophobicContact CE1-CG2 4.25Å; Y1539-T1546 HydrophobicContact CG-CG2 4.15Å; S1540-T1546 WeakPolarHBondContact O-CA 3.42Å |
| 1547 | S | 83.1 | Confident | 84.6 | Confident | 43 Ų | 43 | 68.3 Ų | 68.3 | 30% | 0.301 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 158.1 | 157 | 82.4 | 0 | 0 | 0 | 0 | 110.8 | Y1539 S1540 E1549 | Y1539-S1547 CarbonylContact C-O 3.6Å; Y1539-S1547 VanDerWaalsContact CA-O 3.22Å; Y1539-S1547 WeakPolarHBondContact CA-O 3.41Å; S1540-S1547 WeakPolarHBondContact CB-OG 3.39Å; S1540-S1547 PolarHBondContact N-O 3.46Å; S1540-S1547 PolarHBondContact O-N 3.37Å; S1547-E1549 VanDerWaalsContact CB-OE1 3.25Å; S1547-E1549 WeakPolarHBondContact CB-OE1 3.49Å; S1547-E1549 PolarHBondContact OG-OE1 3.47Å |
| 1548 | R | 89 | Confident | 84.7 | Confident | 119 Ų | 119 | 66.8 Ų | 66.8 | 45% | 0.449 | 34% | 0.337 | S | S | . | . | trans | -115.2 | 87.6 | 176 | -175.9 | -163.6 | 154.1 | -83.8 | 7.7 | 110.1 | F1537 Y1538 Y1539 | F1537-R1548 HydrophobicContact CD2-CG 3.59Å; F1537-R1548 HydrophobicContact CE2-CG 4.02Å; F1537-R1548 VanDerWaalsContact CE2-NE 3.29Å; F1537-R1548 HydrophobicContact CG-CG 4.35Å; Y1538-R1548 CarbonylContact O-C 3.59Å; Y1538-R1548 WeakPolarHBondContact O-CA 3.18Å; Y1539-R1548 HydrophobicContact CD1-CB 3.97Å; Y1539-R1548 HydrophobicContact CD1-CG 4.15Å; Y1539-R1548 HydrophobicContact CE1-CB 3.83Å; Y1539-R1548 HydrophobicContact CE1-CG 3.78Å | ||
| 1549 | E | 86.9 | Confident | 84.3 | Confident | 79 Ų | 79 | 66.9 Ų | 66.9 | 37% | 0.369 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -77.1 | 135.5 | -177.8 | -60.9 | -48.2 | 134.2 | 0 | 0 | 112.5 | F1537 Y1538 S1547 | F1537-E1549 CarbonylContact C-O 3.48Å; F1537-E1549 WeakPolarHBondContact CA-O 3.37Å; F1537-E1549 VanDerWaalsContact CB-O 3.27Å; F1537-E1549 WeakPolarHBondContact CB-O 3.02Å; Y1538-E1549 HydrophobicContact CD1-CB 4.01Å; Y1538-E1549 HydrophobicContact CD2-CB 4.09Å; Y1538-E1549 HydrophobicContact CE1-CB 3.51Å; Y1538-E1549 HydrophobicContact CE2-CB 3.61Å; Y1538-E1549 HydrophobicContact CE2-CG 3.86Å; Y1538-E1549 HydrophobicContact CG-CB 4.28Å; Y1538-E1549 PolarHBondContact N-O 2.96Å; Y1538-E1549 PolarHBondContact O-N 3.34Å; S1547-E1549 VanDerWaalsContact CB-OE1 3.25Å; S1547-E1549 WeakPolarHBondContact CB-OE1 3.49Å; S1547-E1549 PolarHBondContact OG-OE1 3.47Å |
| 1550 | Q | 86.3 | Confident | 83.8 | Confident | 121 Ų | 121 | 68.7 Ų | 68.7 | 57% | 0.565 | 36% | 0.357 | S | S | * | . | B | Isolated β-bridge | trans | -93.9 | 131.9 | 171.7 | -175.1 | 142.6 | 19.9 | 0 | 0 | 110.1 | ||
| 1551 | C | 89.9 | Confident | 83.5 | Confident | 6 Ų | 6 | 74.6 Ų | 74.6 | 4% | 0.041 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 131.2 | -178.5 | -82.6 | 0 | 0 | 0 | 0 | 111.5 | S1536 L1555 C1564 | S1536-C1551 WeakPolarHBondContact O-CB 3.33Å; S1536-C1551 PolarHBondContact O-N 3.36Å; C1551-L1555 HydrophobicContact CB-CB 4.23Å; C1551-L1555 WeakPolarHBondContact CB-O 2.99Å; C1551-C1564 WeakPolarHBondContact CA-SG 3.39Å; C1551-C1564 HydrophobicContact CB-CB 3.62Å; C1551-C1564 WeakPolarHBondContact CB-SG 3.44Å; C1551-C1564 WeakPolarHBondContact SG-CB 3.22Å; C1551-C1564 CovalentContact SG-SG 2.04Å; C1551-C1564 PolarHBondContact SG-SG 3.12Å |
| 1552 | P | 76.4 | Confident | 83.4 | Confident | 72 Ų | 72 | 78.5 Ų | 78.5 | 47% | 0.468 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -62.3 | 153.3 | 178.2 | 27.2 | -34.8 | 0 | 0 | 0 | 110.9 | R1554 L1555 | P1552-R1554 PolarHBondContact O-N 3.29Å; P1552-L1555 WeakPolarHBondContact O-CB 3.25Å; P1552-L1555 WeakPolarHBondContact O-CD1 3.46Å; P1552-L1555 VanDerWaalsContact O-CG 3.24Å; P1552-L1555 WeakPolarHBondContact O-CG 3.43Å; P1552-L1555 PolarHBondContact O-N 2.97Å; P1552-L1555 VanDerWaalsContact O-N 3.13Å |
| 1553 | F | 72 | Confident | 83.4 | Confident | 197 Ų | 197 | 78.4 Ų | 78.4 | 86% | 0.864 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | 53.4 | 26.4 | 177.9 | -52.1 | -71.6 | 0 | 0 | 0 | 115.9 | L1555 | F1553-L1555 HydrophobicContact CB-CG 4.44Å; F1553-L1555 PolarHBondContact O-N 3Å |
| 1554 | R | 61.3 | Low | 83.9 | Confident | 212 Ų | 212 | 77 Ų | 77 | 80% | 0.8 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | 58.7 | 27.2 | -176.5 | -59.9 | -174.9 | 173.7 | -128.6 | -2.5 | 114.4 | P1552 | P1552-R1554 PolarHBondContact O-N 3.29Š|
| 1555 | L | 85.2 | Confident | 84.1 | Confident | 43 Ų | 43 | 76.5 Ų | 76.5 | 23% | 0.225 | 37% | 0.367 | C | S | . | . | trans | -66 | 167.9 | 167.9 | -60.8 | 171.2 | 0 | 0 | 0 | 110.5 | C1551 P1552 F1553 C1564 A1565 P1566 | C1551-L1555 HydrophobicContact CB-CB 4.23Å; C1551-L1555 WeakPolarHBondContact CB-O 2.99Å; P1552-L1555 WeakPolarHBondContact O-CB 3.25Å; P1552-L1555 WeakPolarHBondContact O-CD1 3.46Å; P1552-L1555 VanDerWaalsContact O-CG 3.24Å; P1552-L1555 WeakPolarHBondContact O-CG 3.43Å; P1552-L1555 PolarHBondContact O-N 2.97Å; P1552-L1555 VanDerWaalsContact O-N 3.13Å; F1553-L1555 HydrophobicContact CB-CG 4.44Å; F1553-L1555 PolarHBondContact O-N 3Å; L1555-C1564 HydrophobicContact CB-CB 3.8Å; L1555-C1564 HydrophobicContact CD1-CB 4.32Å; L1555-A1565 WeakPolarHBondContact CB-O 3.34Å; L1555-P1566 HydrophobicContact CD2-CG 4.08Å | ||
| 1556 | F | 87.6 | Confident | 84.3 | Confident | 51 Ų | 51 | 75 Ų | 75 | 22% | 0.224 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 145.4 | 176.7 | -74.9 | -104.8 | 0 | 0 | 0 | 109.6 | C1534 S1535 D1558 C1564 A1565 F1567 V1570 | C1534-F1556 VanDerWaalsContact SG-CD1 3.52Å; S1535-F1556 VanDerWaalsContact C-CD1 3.47Å; S1535-F1556 WeakPolarHBondContact O-CA 3.42Å; F1556-D1558 PolarHBondContact O-N 2.96Å; F1556-C1564 CarbonylContact O-C 3.55Å; F1556-C1564 WeakPolarHBondContact O-CA 3.03Å; F1556-A1565 PolarHBondContact N-O 3.47Å; F1556-A1565 PolarHBondContact O-N 3.07Å; F1556-A1565 VanDerWaalsContact O-O 3.13Å; F1556-F1567 HydrophobicContact CD1-CD2 4.26Å; F1556-F1567 HydrophobicContact CD2-CB 3.95Å; F1556-F1567 AromaticContact CD2-CD2 3.99Å; F1556-F1567 HydrophobicContact CD2-CD2 3.99Å; F1556-F1567 HydrophobicContact CD2-CG 4.49Å; F1556-F1567 HydrophobicContact CE1-CD2 4.07Å; F1556-F1567 HydrophobicContact CE1-CE2 4.47Å; F1556-F1567 HydrophobicContact CE2-CB 4.14Å; F1556-F1567 AromaticContact CE2-CD2 3.8Å; F1556-F1567 HydrophobicContact CE2-CD2 3.8Å; F1556-F1567 HydrophobicContact CE2-CG 4.45Å; F1556-F1567 HydrophobicContact CG-CD2 4.22Å; F1556-F1567 AromaticContact CZ-CD2 3.84Å; F1556-F1567 HydrophobicContact CZ-CD2 3.84Å; F1556-F1567 HydrophobicContact CZ-CE2 4.46Å; F1556-V1570 HydrophobicContact CB-CG2 4.1Å |
| 1557 | F | 90.6 | Very high | 84.2 | Confident | 2 Ų | 2 | 76.9 Ų | 76.9 | 1% | 0.009 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 126.6 | -177.3 | -176.6 | -97.5 | 0 | 0 | 0 | 111.7 | N1526 S1528 S1535 Y1538 L1562 | N1526-F1557 HydrophobicContact CB-CE2 3.48Å; N1526-F1557 VanDerWaalsContact CB-CE2 3.48Å; N1526-F1557 HydrophobicContact CB-CZ 3.51Å; S1528-F1557 WeakPolarHBondContact OG-CD1 3.21Å; S1528-F1557 WeakPolarHBondContact OG-CE1 3.25Å; S1535-F1557 PolarHBondContact O-N 2.85Å; Y1538-F1557 VanDerWaalsContact CB-CD2 3.46Å; Y1538-F1557 VanDerWaalsContact CB-CG 3.43Å; Y1538-F1557 HydrophobicContact CD1-CB 4.27Å; Y1538-F1557 AromaticContact CD1-CD2 3.5Å; Y1538-F1557 HydrophobicContact CD1-CD2 3.5Å; Y1538-F1557 VanDerWaalsContact CD1-CD2 3.5Å; Y1538-F1557 HydrophobicContact CD1-CE2 4.15Å; Y1538-F1557 HydrophobicContact CD1-CG 4.14Å; Y1538-F1557 AromaticContact CD2-CD2 3.97Å; Y1538-F1557 HydrophobicContact CD2-CD2 3.97Å; Y1538-F1557 AromaticContact CD2-CE2 3.81Å; Y1538-F1557 HydrophobicContact CD2-CE2 3.81Å; Y1538-F1557 HydrophobicContact CD2-CZ 4.47Å; Y1538-F1557 HydrophobicContact CE1-CD2 4.18Å; Y1538-F1557 HydrophobicContact CE2-CE2 4.32Å; Y1538-F1557 HydrophobicContact CG-CB 4.38Å; Y1538-F1557 AromaticContact CG-CD2 3.37Å; Y1538-F1557 HydrophobicContact CG-CD2 3.37Å; Y1538-F1557 AromaticContact CG-CE2 3.71Å; Y1538-F1557 HydrophobicContact CG-CE2 3.71Å; Y1538-F1557 AromaticContact CG-CG 3.91Å; Y1538-F1557 HydrophobicContact CG-CG 3.91Å; Y1538-F1557 HydrophobicContact CG-CZ 4.48Å; F1557-L1562 VanDerWaalsContact CE2-C 3.43Å; F1557-L1562 WeakPolarHBondContact CE2-O 3.37Å; F1557-L1562 HydrophobicContact CZ-CB 4.18Å; F1557-L1562 HydrophobicContact CZ-CD2 4.24Å |
| 1558 | D | 90 | Very high | 84 | Confident | 5 Ų | 5 | 81.2 Ų | 81.2 | 3% | 0.027 | 39% | 0.389 | C | S | . | . | trans | -91.4 | 117 | 177.9 | -167.9 | -66.6 | 0 | 0 | 0 | 111.1 | F1556 V1560 Y1561 L1562 E1563 V1570 | F1556-D1558 PolarHBondContact O-N 2.96Å; D1558-V1560 PolarHBondContact O-N 2.94Å; D1558-V1560 VanDerWaalsContact OD1-CA 3.29Å; D1558-V1560 WeakPolarHBondContact OD1-CA 3Å; D1558-V1560 WeakPolarHBondContact OD1-CB 3.43Å; D1558-V1560 PolarHBondContact OD1-N 3.18Å; D1558-Y1561 HydrophobicContact CB-CD2 4.43Å; D1558-Y1561 PolarHBondContact OD1-N 3.11Å; D1558-L1562 WeakPolarHBondContact O-CA 3.33Å; D1558-L1562 PolarHBondContact O-N 2.93Å; D1558-E1563 WeakPolarHBondContact CB-O 3.33Å; D1558-E1563 PolarHBondContact N-O 3.03Å; D1558-V1570 HydrophobicContact CB-CG2 4.1Å | ||
| 1559 | P | 81.9 | Confident | 83.5 | Confident | 37 Ų | 37 | 81.1 Ų | 81.1 | 24% | 0.24 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -17 | 179 | -13.4 | 24.3 | 0 | 0 | 0 | 115 | S1528 L1562 E1572 | S1528-P1559 WeakPolarHBondContact OG-CA 3.28Å; S1528-P1559 VanDerWaalsContact OG-CB 3.22Å; S1528-P1559 WeakPolarHBondContact OG-CB 3.49Å; S1528-P1559 VanDerWaalsContact OG-CG 3.3Å; S1528-P1559 WeakPolarHBondContact OG-CG 3.41Å; P1559-L1562 WeakPolarHBondContact O-CD2 3.42Å; P1559-E1572 HydrophobicContact CG-CG 3.9Å |
| 1560 | V | 80.7 | Confident | 83.3 | Confident | 79 Ų | 79 | 77.3 Ų | 77.3 | 48% | 0.479 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -34.8 | -172.6 | -171.1 | 0 | 0 | 0 | 0 | 111.1 | D1558 | D1558-V1560 PolarHBondContact O-N 2.94Å; D1558-V1560 VanDerWaalsContact OD1-CA 3.29Å; D1558-V1560 WeakPolarHBondContact OD1-CA 3Å; D1558-V1560 WeakPolarHBondContact OD1-CB 3.43Å; D1558-V1560 PolarHBondContact OD1-N 3.18Å |
| 1561 | Y | 85.2 | Confident | 82.8 | Confident | 148 Ų | 148 | 75.6 Ų | 75.6 | 58% | 0.58 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | -13.3 | 176.9 | -61.6 | -67.8 | 0 | 0 | 0 | 114.1 | D1558 E1563 | D1558-Y1561 HydrophobicContact CB-CD2 4.43Å; D1558-Y1561 PolarHBondContact OD1-N 3.11Å; Y1561-E1563 PolarHBondContact O-N 2.88Å |
| 1562 | L | 90.5 | Very high | 82 | Confident | 84 Ų | 84 | 77.7 Ų | 77.7 | 44% | 0.44 | 38% | 0.378 | S | S | . | . | S | Bend | trans | 60.4 | 24.5 | -177.7 | -47.3 | -176.7 | 0 | 0 | 0 | 113.9 | N1526 F1557 D1558 P1559 | N1526-L1562 HydrophobicContact CB-CB 4.39Å; N1526-L1562 PolarHBondContact ND2-O 3.2Å; F1557-L1562 VanDerWaalsContact CE2-C 3.43Å; F1557-L1562 WeakPolarHBondContact CE2-O 3.37Å; F1557-L1562 HydrophobicContact CZ-CB 4.18Å; F1557-L1562 HydrophobicContact CZ-CD2 4.24Å; D1558-L1562 WeakPolarHBondContact O-CA 3.33Å; D1558-L1562 PolarHBondContact O-N 2.93Å; P1559-L1562 WeakPolarHBondContact O-CD2 3.42Å |
| 1563 | E | 85.9 | Confident | 82 | Confident | 119 Ų | 119 | 74.7 Ų | 74.7 | 56% | 0.556 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -128.1 | 166.4 | 179.5 | 71.2 | -171.8 | 154.4 | 0 | 0 | 110.7 | D1558 Y1561 | D1558-E1563 WeakPolarHBondContact CB-O 3.33Å; D1558-E1563 PolarHBondContact N-O 3.03Å; Y1561-E1563 PolarHBondContact O-N 2.88Å |
| 1564 | C | 92.9 | Very high | 82.1 | Confident | 26 Ų | 26 | 68.3 Ų | 68.3 | 18% | 0.176 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 123.6 | 177.3 | -62.8 | 0 | 0 | 0 | 0 | 110.9 | Y1538 C1551 L1555 F1556 | Y1538-C1564 VanDerWaalsContact CE1-SG 3.6Å; C1551-C1564 WeakPolarHBondContact CA-SG 3.39Å; C1551-C1564 HydrophobicContact CB-CB 3.62Å; C1551-C1564 WeakPolarHBondContact CB-SG 3.44Å; C1551-C1564 WeakPolarHBondContact SG-CB 3.22Å; C1551-C1564 CovalentContact SG-SG 2.04Å; C1551-C1564 PolarHBondContact SG-SG 3.12Å; L1555-C1564 HydrophobicContact CB-CB 3.8Å; L1555-C1564 HydrophobicContact CD1-CB 4.32Å; F1556-C1564 CarbonylContact O-C 3.55Å; F1556-C1564 WeakPolarHBondContact O-CA 3.03Å |
| 1565 | A | 87.4 | Confident | 81.8 | Confident | 15 Ų | 15 | 61.7 Ų | 61.7 | 12% | 0.124 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 165.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1555 F1556 D1569 V1570 | L1555-A1565 WeakPolarHBondContact CB-O 3.34Å; F1556-A1565 PolarHBondContact N-O 3.47Å; F1556-A1565 PolarHBondContact O-N 3.07Å; F1556-A1565 VanDerWaalsContact O-O 3.13Å; A1565-D1569 HydrophobicContact CB-CB 4.42Å; A1565-V1570 HydrophobicContact CB-CG2 3.93Å |
| 1566 | P | 84.3 | Confident | 79.9 | Confident | 63 Ų | 63 | 63.8 Ų | 63.8 | 41% | 0.409 | 34% | 0.335 | S | S | . | . | trans | -59.4 | 149.7 | 174.2 | -24.6 | 35.6 | 0 | 0 | 0 | 112.5 | L1555 D1568 D1569 V1570 | L1555-P1566 HydrophobicContact CD2-CG 4.08Å; P1566-D1568 PolarHBondContact O-N 3.2Å; P1566-D1568 VanDerWaalsContact O-N 3.14Å; P1566-D1569 WeakPolarHBondContact CD-OD2 3.43Å; P1566-D1569 WeakPolarHBondContact CG-OD2 3.46Å; P1566-D1569 PolarHBondContact O-N 2.96Å; P1566-V1570 PolarHBondContact O-N 3.27Å | ||
| 1567 | F | 81 | Confident | 77.6 | Confident | 93 Ų | 93 | 68 Ų | 68 | 41% | 0.408 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -38.6 | -177.5 | 180 | -86 | 0 | 0 | 0 | 113.5 | F1556 D1569 C1573 V1574 | F1556-F1567 HydrophobicContact CD1-CD2 4.26Å; F1556-F1567 HydrophobicContact CD2-CB 3.95Å; F1556-F1567 AromaticContact CD2-CD2 3.99Å; F1556-F1567 HydrophobicContact CD2-CD2 3.99Å; F1556-F1567 HydrophobicContact CD2-CG 4.49Å; F1556-F1567 HydrophobicContact CE1-CD2 4.07Å; F1556-F1567 HydrophobicContact CE1-CE2 4.47Å; F1556-F1567 HydrophobicContact CE2-CB 4.14Å; F1556-F1567 AromaticContact CE2-CD2 3.8Å; F1556-F1567 HydrophobicContact CE2-CD2 3.8Å; F1556-F1567 HydrophobicContact CE2-CG 4.45Å; F1556-F1567 HydrophobicContact CG-CD2 4.22Å; F1556-F1567 AromaticContact CZ-CD2 3.84Å; F1556-F1567 HydrophobicContact CZ-CD2 3.84Å; F1556-F1567 HydrophobicContact CZ-CE2 4.46Å; F1567-D1569 VanDerWaalsContact C-N 3.33Å; F1567-C1573 HydrophobicContact CD1-CB 4.41Å; F1567-C1573 HydrophobicContact CD2-CB 3.69Å; F1567-C1573 HydrophobicContact CE1-CB 4.3Å; F1567-C1573 HydrophobicContact CE2-CB 3.59Å; F1567-C1573 HydrophobicContact CG-CB 4.12Å; F1567-C1573 HydrophobicContact CZ-CB 3.9Å; F1567-C1573 WeakPolarHBondContact O-CB 3.47Å; F1567-V1574 WeakPolarHBondContact O-CG2 3.38Å |
| 1568 | D | 78.3 | Confident | 75.1 | Confident | 134 Ų | 134 | 72.5 Ų | 72.5 | 72% | 0.717 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -16.4 | -179.5 | -68.4 | -44.5 | 0 | 0 | 0 | 114.2 | P1566 V1574 | P1566-D1568 PolarHBondContact O-N 3.2Å; P1566-D1568 VanDerWaalsContact O-N 3.14Å; D1568-V1574 WeakPolarHBondContact O-CG2 3.49Å |
| 1569 | D | 79.1 | Confident | 72.2 | Confident | 117 Ų | 117 | 76.2 Ų | 76.2 | 63% | 0.626 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -32.2 | 176.2 | -70.3 | -50.7 | 0 | 0 | 0 | 111.7 | A1565 P1566 F1567 Y1571 | A1565-D1569 HydrophobicContact CB-CB 4.42Å; P1566-D1569 WeakPolarHBondContact CD-OD2 3.43Å; P1566-D1569 WeakPolarHBondContact CG-OD2 3.46Å; P1566-D1569 PolarHBondContact O-N 2.96Å; F1567-D1569 VanDerWaalsContact C-N 3.33Å; D1569-Y1571 PolarHBondContact O-N 3.16Å |
| 1570 | V | 82.2 | Confident | 69.9 | Low | 0 Ų | 0 | 81.3 Ų | 81.3 | 0% | 0 | 44% | 0.441 | C | S | . | . | trans | -72 | 112.2 | 178.9 | -178.8 | 0 | 0 | 0 | 0 | 111 | F1556 D1558 A1565 P1566 E1572 C1573 V1574 | F1556-V1570 HydrophobicContact CB-CG2 4.1Å; D1558-V1570 HydrophobicContact CB-CG2 4.1Å; A1565-V1570 HydrophobicContact CB-CG2 3.93Å; P1566-V1570 PolarHBondContact O-N 3.27Å; V1570-E1572 VanDerWaalsContact C-N 3.34Å; V1570-E1572 HydrophobicContact CG1-CB 4.25Å; V1570-E1572 PolarHBondContact O-N 2.85Å; V1570-C1573 HydrophobicContact CB-CB 4.06Å; V1570-C1573 HydrophobicContact CG1-CB 4.21Å; V1570-C1573 WeakPolarHBondContact O-CB 3.41Å; V1570-C1573 PolarHBondContact O-N 3.35Å; V1570-V1574 PolarHBondContact O-N 2.82Å | ||
| 1571 | Y | 76 | Confident | 67.4 | Low | 84 Ų | 84 | 85.3 Ų | 85.3 | 33% | 0.329 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -56.3 | -44.4 | -176 | 174.5 | -95.6 | 0 | 0 | 0 | 113.2 | D1569 C1573 V1574 N1575 | D1569-Y1571 PolarHBondContact O-N 3.16Å; Y1571-C1573 PolarHBondContact O-N 3.38Å; Y1571-V1574 PolarHBondContact O-N 2.72Å; Y1571-N1575 VanDerWaalsContact CE2-ND2 3.28Å; Y1571-N1575 WeakPolarHBondContact CE2-ND2 3.42Å; Y1571-N1575 PolarHBondContact O-N 3.08Å |
| 1572 | E | 73.2 | Confident | 64.7 | Low | 50 Ų | 50 | 83.9 Ų | 83.9 | 23% | 0.234 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -60 | -29 | 176.9 | -86.2 | 55.4 | -140.4 | 0 | 0 | 113.6 | N1533 C1534 P1559 V1570 S1576 | N1533-E1572 HydrophobicContact CB-CB 4.16Å; N1533-E1572 HydrophobicContact CB-CG 3.64Å; C1534-E1572 HydrophobicContact CB-CB 4.42Å; P1559-E1572 HydrophobicContact CG-CG 3.9Å; V1570-E1572 VanDerWaalsContact C-N 3.34Å; V1570-E1572 HydrophobicContact CG1-CB 4.25Å; V1570-E1572 PolarHBondContact O-N 2.85Å; E1572-S1576 WeakPolarHBondContact O-CB 3.49Å |
| 1573 | C | 76.9 | Confident | 62.2 | Low | 10 Ų | 10 | 84.8 Ų | 84.8 | 7% | 0.068 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -78.8 | -48.5 | 178.8 | -70.5 | 0 | 0 | 0 | 0 | 111.8 | C1534 F1567 V1570 Y1571 N1575 | C1534-C1573 HydrophobicContact CB-CB 3.91Å; C1534-C1573 WeakPolarHBondContact CB-SG 3.04Å; C1534-C1573 WeakPolarHBondContact SG-CA 3.22Å; C1534-C1573 WeakPolarHBondContact SG-CB 3.05Å; C1534-C1573 CovalentContact SG-SG 2.04Å; C1534-C1573 PolarHBondContact SG-SG 3.3Å; F1567-C1573 HydrophobicContact CD1-CB 4.41Å; F1567-C1573 HydrophobicContact CD2-CB 3.69Å; F1567-C1573 HydrophobicContact CE1-CB 4.3Å; F1567-C1573 HydrophobicContact CE2-CB 3.59Å; F1567-C1573 HydrophobicContact CG-CB 4.12Å; F1567-C1573 HydrophobicContact CZ-CB 3.9Å; F1567-C1573 WeakPolarHBondContact O-CB 3.47Å; V1570-C1573 HydrophobicContact CB-CB 4.06Å; V1570-C1573 HydrophobicContact CG1-CB 4.21Å; V1570-C1573 WeakPolarHBondContact O-CB 3.41Å; V1570-C1573 PolarHBondContact O-N 3.35Å; Y1571-C1573 PolarHBondContact O-N 3.38Å; C1573-N1575 VanDerWaalsContact C-N 3.33Å; C1573-N1575 PolarHBondContact O-N 3.24Å |
| 1574 | V | 74.5 | Confident | 59.4 | Low | 63 Ų | 63 | 87.2 Ų | 87.2 | 38% | 0.382 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -69.2 | -28.5 | -175.9 | -177 | 0 | 0 | 0 | 0 | 113.2 | F1567 D1568 V1570 Y1571 | F1567-V1574 WeakPolarHBondContact O-CG2 3.38Å; D1568-V1574 WeakPolarHBondContact O-CG2 3.49Å; V1570-V1574 PolarHBondContact O-N 2.82Å; Y1571-V1574 PolarHBondContact O-N 2.72Å |
| 1575 | N | 55.3 | Low | 56.2 | Low | 72 Ų | 72 | 97.2 Ų | 97.2 | 39% | 0.385 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 5.3 | -172.1 | -89.1 | 7.8 | 0 | 0 | 0 | 115.4 | Y1571 C1573 T1577 | Y1571-N1575 VanDerWaalsContact CE2-ND2 3.28Å; Y1571-N1575 WeakPolarHBondContact CE2-ND2 3.42Å; Y1571-N1575 PolarHBondContact O-N 3.08Å; C1573-N1575 VanDerWaalsContact C-N 3.33Å; C1573-N1575 PolarHBondContact O-N 3.24Å; N1575-T1577 PolarHBondContact O-N 3.02Å; N1575-T1577 PolarHBondContact O-OG1 2.88Å; N1575-T1577 VanDerWaalsContact O-OG1 3.09Å |
| 1576 | S | 44.2 | Very low | 53.6 | Low | 88 Ų | 88 | 102.2 Ų | 102.2 | 62% | 0.615 | 55% | 0.545 | S | S | * | . | trans | -63.5 | 107.5 | -172.9 | -169.1 | 0 | 0 | 0 | 0 | 113.6 | E1572 | E1572-S1576 WeakPolarHBondContact O-CB 3.49Š| ||
| 1577 | T | 39 | Very low | 51 | Low | 140 Ų | 140 | 107.5 Ų | 107.5 | 86% | 0.859 | 56% | 0.561 | S | S | * | * | trans | -140.8 | 51.7 | -178.6 | 40.2 | 0 | 0 | 0 | 0 | 112.7 | N1575 | N1575-T1577 PolarHBondContact O-N 3.02Å; N1575-T1577 PolarHBondContact O-OG1 2.88Å; N1575-T1577 VanDerWaalsContact O-OG1 3.09Å | ||
| 1578 | S | 38.6 | Very low | 48.4 | Very low | 96 Ų | 96 | 108.9 Ų | 108.9 | 67% | 0.671 | 58% | 0.577 | S | S | * | * | trans | -149.7 | 126.3 | 167.7 | -153.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1579 | N | 29.6 | Very low | 46.1 | Very low | 82 Ų | 82 | 107.2 Ų | 107.2 | 44% | 0.439 | 58% | 0.583 | S | S | . | * | 48.5 | 99 | 65.1 | -89.5 | 8.1 | 0 | 0 | 0 | 114.4 | Q1389 | Q1389-N1579 PolarHBondContact NE2-OD1 3.12Å; Q1389-N1579 PolarHBondContact OE1-ND2 3.17Å | |||
| 1580 | N | 33.2 | Very low | 43.6 | Very low | 145 Ų | 145 | 107.3 Ų | 107.3 | 78% | 0.775 | 59% | 0.587 | S | S | * | * | -177.4 | 145.2 | 107.2 | -97 | 0.3 | 0 | 0 | 0 | 114.8 | |||||
| 1581 | F | 29.2 | Very low | 41 | Very low | 162 Ų | 162 | 115 Ų | 115 | 71% | 0.711 | 63% | 0.629 | S | S | * | * | trans | -70.4 | 148.5 | 159.9 | -112.3 | -124.3 | 0 | 0 | 0 | 111.9 | ||||
| 1582 | F | 27.4 | Very low | 39 | Very low | 118 Ų | 118 | 116.1 Ų | 116.1 | 52% | 0.518 | 64% | 0.644 | S | S | . | * | trans | 22.3 | 148.5 | 135.3 | -80.2 | -64.6 | 0 | 0 | 0 | 122.5 | I1511 P1512 | I1511-F1582 HydrophobicContact CB-CZ 4.45Å; I1511-F1582 HydrophobicContact CG1-CE2 4.37Å; I1511-F1582 HydrophobicContact CG1-CZ 4.3Å; I1511-F1582 HydrophobicContact CG2-CZ 4.18Å; P1512-F1582 VanDerWaalsContact CD-CE1 3.42Å; P1512-F1582 HydrophobicContact CG-CE1 4.04Å | ||
| 1583 | P | 38.9 | Very low | 37.9 | Very low | 104 Ų | 104 | 120 Ų | 120 | 68% | 0.675 | 67% | 0.671 | S | S | * | * | -122.8 | -179.5 | -66.2 | 34.4 | -17.5 | 0 | 0 | 0 | 111.9 | |||||
| 1584 | L | 25.3 | Very low | 37.4 | Very low | 170 Ų | 170 | 120.3 Ų | 120.3 | 89% | 0.89 | 68% | 0.677 | S | S | * | * | trans | 49.5 | 71.5 | 165 | -71.4 | 176.8 | 0 | 0 | 0 | 117 | ||||
| 1585 | R | 25.8 | Very low | 37.5 | Very low | 235 Ų | 235 | 118.3 Ų | 118.3 | 89% | 0.887 | 66% | 0.664 | S | S | * | * | trans | -135.3 | 128.4 | 137.4 | -75.3 | -161.7 | 174.6 | -145.3 | -3.7 | 111.4 | K1587 | R1585-K1587 PolarHBondContact O-N 2.8Š| ||
| 1586 | S | 32.9 | Very low | 38.9 | Very low | 120 Ų | 120 | 119.1 Ų | 119.1 | 84% | 0.839 | 67% | 0.668 | S | S | * | * | trans | -55.6 | 108.2 | 153.7 | 174.7 | 0 | 0 | 0 | 0 | 107.6 | T1588 | S1586-T1588 PolarHBondContact O-N 3.33Š| ||
| 1587 | K | 30.4 | Very low | 41 | Very low | 174 Ų | 174 | 115 Ų | 115 | 76% | 0.757 | 64% | 0.639 | S | S | * | * | trans | -89.8 | 86.6 | -173.8 | -167.2 | 178.6 | -179.1 | -175.7 | 0 | 109.3 | R1585 A1589 | R1585-K1587 PolarHBondContact O-N 2.8Å; K1587-A1589 PolarHBondContact O-N 3.45Å | ||
| 1588 | T | 25.9 | Very low | 43.2 | Very low | 122 Ų | 122 | 114.4 Ų | 114.4 | 75% | 0.748 | 63% | 0.631 | S | S | * | * | trans | -43 | 129.4 | 163.2 | 49.1 | 0 | 0 | 0 | 0 | 110.2 | S1586 T1590 | S1586-T1588 PolarHBondContact O-N 3.33Å; T1588-T1590 PolarHBondContact O-N 2.89Å | ||
| 1589 | A | 29.9 | Very low | 45.4 | Very low | 100 Ų | 100 | 113.9 Ų | 113.9 | 83% | 0.826 | 64% | 0.64 | S | S | * | * | trans | -63.1 | 125.3 | -168.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | K1587 | K1587-A1589 PolarHBondContact O-N 3.45Š| ||
| 1590 | T | 26.3 | Very low | 48 | Very low | 118 Ų | 118 | 113.1 Ų | 113.1 | 72% | 0.724 | 64% | 0.636 | S | S | * | * | trans | -161.2 | 103.6 | 150 | 47.4 | 0 | 0 | 0 | 0 | 110.7 | T1588 | T1588-T1590 PolarHBondContact O-N 2.89Š| ||
| 1591 | N | 29.2 | Very low | 50.5 | Low | 163 Ų | 163 | 113.6 Ų | 113.6 | 87% | 0.872 | 63% | 0.633 | S | S | * | * | -169.3 | 85.1 | 129.7 | -112.5 | 6.7 | 0 | 0 | 0 | 109 | T1593 | N1591-T1593 PolarHBondContact O-N 2.9Š| |||
| 1592 | T | 34 | Very low | 53.2 | Low | 107 Ų | 107 | 110.5 Ų | 110.5 | 66% | 0.656 | 62% | 0.624 | S | S | * | * | trans | -80.4 | 98.6 | -176.8 | 46.1 | 0 | 0 | 0 | 0 | 111.6 | G1594 | T1592-G1594 VanDerWaalsContact C-N 3.31Š| ||
| 1593 | T | 48.9 | Very low | 56.2 | Low | 130 Ų | 130 | 108.7 Ų | 108.7 | 80% | 0.798 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -102.9 | 31.3 | 154.2 | 53.5 | 0 | 0 | 0 | 0 | 110.9 | N1591 Y1617 | N1591-T1593 PolarHBondContact O-N 2.9Å; T1593-Y1617 PolarHBondContact O-OH 2.83Å; T1593-Y1617 VanDerWaalsContact O-OH 3.05Å |
| 1594 | G | 66.9 | Low | 58.7 | Low | 18 Ų | 18 | 105.5 Ų | 105.5 | 19% | 0.186 | 60% | 0.597 | C | S | . | * | S | Bend | trans | -146.6 | 175.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | T1592 Y1617 | T1592-G1594 VanDerWaalsContact C-N 3.31Å; G1594-Y1617 VanDerWaalsContact CA-CE1 3.44Å; G1594-Y1617 WeakPolarHBondContact CA-OH 3.43Å |
| 1595 | I | 76.6 | Confident | 61.9 | Low | 21 Ų | 21 | 99.8 Ų | 99.8 | 11% | 0.108 | 56% | 0.564 | C | S | . | * | trans | -62.3 | 154 | 175.9 | 65.2 | 176.2 | 0 | 0 | 0 | 111.2 | L1600 Y1605 P1608 Y1617 C1619 S1624 | I1595-L1600 HydrophobicContact CD1-CD1 4.08Å; I1595-Y1605 HydrophobicContact CD1-CD2 3.79Å; I1595-Y1605 HydrophobicContact CD1-CG 3.94Å; I1595-P1608 HydrophobicContact CG2-CG 3.89Å; I1595-Y1617 VanDerWaalsContact CD1-CB 3.48Å; I1595-Y1617 HydrophobicContact CD1-CG 4.31Å; I1595-Y1617 HydrophobicContact CG1-CD1 4.37Å; I1595-Y1617 HydrophobicContact CG1-CG 4.01Å; I1595-Y1617 HydrophobicContact CG2-CD2 4.22Å; I1595-Y1617 HydrophobicContact CG2-CG 4.42Å; I1595-C1619 WeakPolarHBondContact CD1-SG 3.32Å; I1595-S1624 VanDerWaalsContact O-CB 3.3Å; I1595-S1624 WeakPolarHBondContact O-CB 3.06Å; I1595-S1624 PolarHBondContact O-OG 3.47Å | ||
| 1596 | N | 84.2 | Confident | 65 | Low | 89 Ų | 89 | 91.1 Ų | 91.1 | 48% | 0.476 | 54% | 0.538 | S | S | . | . | trans | -95.9 | 128 | 160.4 | -174 | 1.3 | 0 | 0 | 0 | 108.4 | D1598 L1600 | N1596-D1598 PolarHBondContact ND2-OD2 2.82Å; N1596-D1598 WeakPolarHBondContact OD1-CB 3.37Å; N1596-D1598 PolarHBondContact OD1-N 3.27Å; N1596-D1598 PolarHBondContact OD1-OD2 2.86Å; N1596-L1600 VanDerWaalsContact O-CD1 3.31Å; N1596-L1600 WeakPolarHBondContact O-CD1 3.49Å | ||
| 1597 | C | 88.7 | Confident | 67.7 | Low | 1 Ų | 1 | 86 Ų | 86 | 1% | 0.007 | 50% | 0.502 | C | S | . | . | trans | -89.5 | 3.2 | 178.8 | -67.4 | 0 | 0 | 0 | 0 | 113.9 | G1599 L1600 C1619 G1622 S1624 | C1597-G1599 PolarHBondContact O-N 3.16Å; C1597-L1600 PolarHBondContact O-N 3.45Å; C1597-C1619 HydrophobicContact CB-CB 3.71Å; C1597-C1619 WeakPolarHBondContact CB-SG 3.33Å; C1597-C1619 WeakPolarHBondContact SG-CA 3.37Å; C1597-C1619 WeakPolarHBondContact SG-CB 3.42Å; C1597-C1619 CovalentContact SG-SG 2.03Å; C1597-C1619 PolarHBondContact SG-SG 2.77Å; C1597-G1622 VanDerWaalsContact CB-C 3.5Å; C1597-G1622 WeakPolarHBondContact CB-O 3.44Å; C1597-S1624 VanDerWaalsContact SG-CA 3.51Å | ||
| 1598 | D | 84.9 | Confident | 70.3 | Confident | 128 Ų | 128 | 81.9 Ų | 81.9 | 68% | 0.684 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 100.2 | 168.5 | -80.7 | -35.3 | 0 | 0 | 0 | 111.6 | N1596 | N1596-D1598 PolarHBondContact ND2-OD2 2.82Å; N1596-D1598 WeakPolarHBondContact OD1-CB 3.37Å; N1596-D1598 PolarHBondContact OD1-N 3.27Å; N1596-D1598 PolarHBondContact OD1-OD2 2.86Å |
| 1599 | G | 84.3 | Confident | 72.9 | Confident | 84 Ų | 84 | 81.3 Ų | 81.3 | 87% | 0.866 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | 12.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | C1597 | C1597-G1599 PolarHBondContact O-N 3.16Š|
| 1600 | L | 86 | Confident | 75.6 | Confident | 67 Ų | 67 | 80.1 Ų | 80.1 | 35% | 0.351 | 47% | 0.468 | S | S | . | . | trans | -86.9 | 150.9 | 162.8 | -66.9 | -173.9 | 0 | 0 | 0 | 110.1 | I1595 N1596 C1597 Y1605 | I1595-L1600 HydrophobicContact CD1-CD1 4.08Å; N1596-L1600 VanDerWaalsContact O-CD1 3.31Å; N1596-L1600 WeakPolarHBondContact O-CD1 3.49Å; C1597-L1600 PolarHBondContact O-N 3.45Å; L1600-Y1605 HydrophobicContact CB-CE1 4.45Å; L1600-Y1605 HydrophobicContact CB-CE2 4.21Å; L1600-Y1605 HydrophobicContact CD1-CD1 4.22Å; L1600-Y1605 HydrophobicContact CD1-CD2 4.39Å; L1600-Y1605 HydrophobicContact CD1-CE1 4.03Å; L1600-Y1605 HydrophobicContact CD1-CE2 4.22Å; L1600-Y1605 HydrophobicContact CD1-CG 4.4Å; L1600-Y1605 HydrophobicContact CD2-CE1 4.06Å; L1600-Y1605 HydrophobicContact CG-CE1 4.42Å | ||
| 1601 | E | 84.6 | Confident | 78.2 | Confident | 155 Ų | 155 | 80.4 Ų | 80.4 | 72% | 0.724 | 47% | 0.466 | S | S | * | . | trans | -75.4 | 157.2 | 173.4 | -65.5 | -176 | -178.3 | 0 | 0 | 110.3 | D1603 Y1605 C1619 | E1601-D1603 VanDerWaalsContact C-N 3.29Å; E1601-D1603 PolarHBondContact O-N 3.17Å; E1601-Y1605 PolarHBondContact N-OH 3.33Å; E1601-Y1605 WeakPolarHBondContact O-CE2 3.21Å; E1601-Y1605 PolarHBondContact O-OH 3.1Å; E1601-C1619 WeakPolarHBondContact O-CB 3.21Å | ||
| 1602 | N | 85.7 | Confident | 81.1 | Confident | 97 Ų | 97 | 74 Ų | 74 | 52% | 0.519 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -71 | 81 | -179.6 | -76 | 1.3 | 0 | 0 | 0 | 110.9 | C1619 N1621 | N1602-C1619 CarbonylContact C-O 3.59Å; N1602-C1619 WeakPolarHBondContact CA-O 3.34Å; N1602-N1621 PolarHBondContact ND2-N 3.26Å; N1602-N1621 PolarHBondContact ND2-OD1 2.74Å; N1602-N1621 PolarHBondContact OD1-N 2.93Å |
| 1603 | D | 90 | Very high | 83.8 | Confident | 80 Ų | 80 | 69.3 Ų | 69.3 | 43% | 0.428 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -149.6 | 176.3 | -168.1 | -158.4 | -1.9 | 0 | 0 | 0 | 111.1 | E1601 Y1605 C1619 | E1601-D1603 VanDerWaalsContact C-N 3.29Å; E1601-D1603 PolarHBondContact O-N 3.17Å; D1603-Y1605 HydrophobicContact CB-CE2 3.97Å; D1603-Y1605 VanDerWaalsContact O-CD2 3.27Å; D1603-Y1605 WeakPolarHBondContact O-CD2 3.37Å; D1603-Y1605 WeakPolarHBondContact O-CE2 3.35Å; D1603-C1619 PolarHBondContact N-O 2.76Å; D1603-C1619 PolarHBondContact O-N 3.07Å |
| 1604 | N | 92.8 | Very high | 85.8 | Confident | 37 Ų | 37 | 66.5 Ų | 66.5 | 20% | 0.198 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 132.8 | 177.2 | -66.9 | -41.2 | 0 | 0 | 0 | 112.4 | F1616 T1618 Y1635 D1640 | N1604-F1616 HydrophobicContact CB-CD2 4.14Å; N1604-F1616 HydrophobicContact CB-CE2 4.2Å; N1604-T1618 WeakPolarHBondContact OD1-CB 3.42Å; N1604-T1618 WeakPolarHBondContact OD1-CG2 3.23Å; N1604-T1618 PolarHBondContact OD1-OG1 2.83Å; N1604-Y1635 HydrophobicContact CB-CE2 4.27Å; N1604-Y1635 WeakPolarHBondContact CB-OH 3.03Å; N1604-Y1635 PolarHBondContact O-OH 2.9Å; N1604-Y1635 VanDerWaalsContact O-OH 3.06Å; N1604-D1640 WeakPolarHBondContact CB-OD1 3.45Å; N1604-D1640 VanDerWaalsContact ND2-CG 3.31Å; N1604-D1640 PolarHBondContact ND2-OD1 3.11Å; N1604-D1640 PolarHBondContact ND2-OD2 2.8Å |
| 1605 | Y | 91.6 | Very high | 86.9 | Confident | 50 Ų | 50 | 67.9 Ų | 67.9 | 20% | 0.196 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 140.4 | -175.4 | -61.6 | -92 | 0 | 0 | 0 | 110.9 | I1595 L1600 E1601 D1603 F1616 Y1617 C1619 | I1595-Y1605 HydrophobicContact CD1-CD2 3.79Å; I1595-Y1605 HydrophobicContact CD1-CG 3.94Å; L1600-Y1605 HydrophobicContact CB-CE1 4.45Å; L1600-Y1605 HydrophobicContact CB-CE2 4.21Å; L1600-Y1605 HydrophobicContact CD1-CD1 4.22Å; L1600-Y1605 HydrophobicContact CD1-CD2 4.39Å; L1600-Y1605 HydrophobicContact CD1-CE1 4.03Å; L1600-Y1605 HydrophobicContact CD1-CE2 4.22Å; L1600-Y1605 HydrophobicContact CD1-CG 4.4Å; L1600-Y1605 HydrophobicContact CD2-CE1 4.06Å; L1600-Y1605 HydrophobicContact CG-CE1 4.42Å; E1601-Y1605 PolarHBondContact N-OH 3.33Å; E1601-Y1605 WeakPolarHBondContact O-CE2 3.21Å; E1601-Y1605 PolarHBondContact O-OH 3.1Å; D1603-Y1605 HydrophobicContact CB-CE2 3.97Å; D1603-Y1605 VanDerWaalsContact O-CD2 3.27Å; D1603-Y1605 WeakPolarHBondContact O-CD2 3.37Å; D1603-Y1605 WeakPolarHBondContact O-CE2 3.35Å; Y1605-F1616 WeakPolarHBondContact O-CB 3.37Å; Y1605-Y1617 PolarHBondContact N-O 3Å; Y1605-Y1617 PolarHBondContact O-N 3.27Å; Y1605-C1619 HydrophobicContact CD2-CB 4.32Å; Y1605-C1619 HydrophobicContact CE2-CB 3.82Å; Y1605-C1619 WeakPolarHBondContact CE2-SG 3.46Å |
| 1606 | P | 90.8 | Very high | 87.7 | Confident | 52 Ų | 52 | 67.8 Ų | 67.8 | 34% | 0.338 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 156.2 | 177.7 | 29.5 | -34.8 | 0 | 0 | 0 | 111.7 | P1608 Y1635 P1637 | P1606-P1608 WeakPolarHBondContact O-CD 3.37Å; P1606-Y1635 HydrophobicContact CB-CD1 3.92Å; P1606-Y1635 HydrophobicContact CB-CE1 3.99Å; P1606-P1637 HydrophobicContact CB-CB 4.11Å; P1606-P1637 HydrophobicContact CB-CG 4.16Å; P1606-P1637 HydrophobicContact CG-CB 3.97Å; P1606-P1637 HydrophobicContact CG-CG 4.29Å |
| 1607 | D | 90.1 | Very high | 88.1 | Confident | 14 Ų | 14 | 64.3 Ų | 64.3 | 8% | 0.075 | 37% | 0.367 | C | S | . | . | trans | -55.5 | 118.2 | 171.4 | 174 | -3.4 | 0 | 0 | 0 | 111.4 | T1609 N1610 S1613 I1615 Y1617 | D1607-T1609 PolarHBondContact O-N 3.2Å; D1607-T1609 WeakPolarHBondContact OD1-CA 3Å; D1607-T1609 WeakPolarHBondContact OD1-CB 3.37Å; D1607-T1609 PolarHBondContact OD1-N 3.2Å; D1607-T1609 PolarHBondContact OD1-OG1 2.99Å; D1607-T1609 PolarHBondContact OD2-OG1 3.29Å; D1607-N1610 CarbonylContact O-C 3.49Å; D1607-N1610 PolarHBondContact OD1-N 2.83Å; D1607-S1613 WeakPolarHBondContact OD2-CB 3.12Å; D1607-S1613 PolarHBondContact OD2-OG 3.38Å; D1607-I1615 WeakPolarHBondContact CB-O 3.31Å; D1607-Y1617 HydrophobicContact CB-CE2 4.3Å | ||
| 1608 | P | 84.5 | Confident | 88.3 | Confident | 86 Ų | 86 | 65 Ų | 65 | 56% | 0.558 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -76.1 | -10.6 | -177.6 | 33.6 | -37.4 | 0 | 0 | 0 | 113 | I1595 P1606 | I1595-P1608 HydrophobicContact CG2-CG 3.89Å; P1606-P1608 WeakPolarHBondContact O-CD 3.37Å |
| 1609 | T | 81.4 | Confident | 88.5 | Confident | 110 Ų | 110 | 58.9 Ų | 58.9 | 68% | 0.675 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -93.2 | -31.6 | 178.5 | 75.7 | 0 | 0 | 0 | 0 | 112.1 | D1607 | D1607-T1609 PolarHBondContact O-N 3.2Å; D1607-T1609 WeakPolarHBondContact OD1-CA 3Å; D1607-T1609 WeakPolarHBondContact OD1-CB 3.37Å; D1607-T1609 PolarHBondContact OD1-N 3.2Å; D1607-T1609 PolarHBondContact OD1-OG1 2.99Å; D1607-T1609 PolarHBondContact OD2-OG1 3.29Å |
| 1610 | N | 86.2 | Confident | 88.4 | Confident | 75 Ų | 75 | 57.6 Ų | 57.6 | 40% | 0.401 | 31% | 0.314 | S | S | . | . | trans | -136.6 | 113.8 | 178.8 | 178 | 12.3 | 0 | 0 | 0 | 112 | D1607 C1612 S1613 | D1607-N1610 CarbonylContact O-C 3.49Å; D1607-N1610 PolarHBondContact OD1-N 2.83Å; N1610-C1612 VanDerWaalsContact CG-O 3.32Å; N1610-C1612 PolarHBondContact ND2-O 2.78Å; N1610-C1612 PolarHBondContact O-N 3.16Å; N1610-C1612 VanDerWaalsContact O-N 3.17Å; N1610-C1612 PolarHBondContact OD1-N 3.18Å; N1610-C1612 PolarHBondContact OD1-O 2.81Å; N1610-S1613 WeakPolarHBondContact O-CB 3.49Å | ||
| 1611 | N | 80.9 | Confident | 88.1 | Confident | 124 Ų | 124 | 60.8 Ų | 60.8 | 66% | 0.663 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -66.9 | -17.4 | -178.4 | -136.7 | 119.1 | 0 | 0 | 0 | 114 | A1650 | N1611-A1650 WeakPolarHBondContact ND2-CB 3.46Å; N1611-A1650 WeakPolarHBondContact O-CB 3.31Å |
| 1612 | C | 89.9 | Confident | 88 | Confident | 28 Ų | 28 | 55 Ų | 55 | 19% | 0.189 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -122.2 | 76.9 | 172.2 | 171.4 | 0 | 0 | 0 | 0 | 108.7 | N1610 F1634 C1651 | N1610-C1612 VanDerWaalsContact CG-O 3.32Å; N1610-C1612 PolarHBondContact ND2-O 2.78Å; N1610-C1612 PolarHBondContact O-N 3.16Å; N1610-C1612 VanDerWaalsContact O-N 3.17Å; N1610-C1612 PolarHBondContact OD1-N 3.18Å; N1610-C1612 PolarHBondContact OD1-O 2.81Å; C1612-F1634 VanDerWaalsContact SG-CD1 3.58Å; C1612-C1651 VanDerWaalsContact CA-SG 3.58Å; C1612-C1651 HydrophobicContact CB-CB 3.97Å; C1612-C1651 WeakPolarHBondContact CB-SG 3.45Å; C1612-C1651 WeakPolarHBondContact SG-CA 3.31Å; C1612-C1651 WeakPolarHBondContact SG-CB 3.38Å; C1612-C1651 CovalentContact SG-SG 2.03Å; C1612-C1651 PolarHBondContact SG-SG 3.24Å |
| 1613 | S | 91.6 | Very high | 87.5 | Confident | 9 Ų | 9 | 54.9 Ų | 54.9 | 6% | 0.063 | 32% | 0.316 | C | S | . | . | trans | -112.4 | 147.6 | -176.1 | -161 | 0 | 0 | 0 | 0 | 112.3 | D1607 N1610 I1615 F1634 Y1635 | D1607-S1613 WeakPolarHBondContact OD2-CB 3.12Å; D1607-S1613 PolarHBondContact OD2-OG 3.38Å; N1610-S1613 WeakPolarHBondContact O-CB 3.49Å; S1613-I1615 WeakPolarHBondContact CB-O 3.29Å; S1613-I1615 PolarHBondContact OG-N 3.46Å; S1613-I1615 VanDerWaalsContact OG-N 3.11Å; S1613-F1634 VanDerWaalsContact C-CD1 3.43Å; S1613-F1634 WeakPolarHBondContact O-CA 3.32Å; S1613-Y1635 PolarHBondContact O-N 3.11Å; S1613-Y1635 VanDerWaalsContact O-N 3.07Å | ||
| 1614 | N | 90.9 | Very high | 87 | Confident | 72 Ų | 72 | 53.4 Ų | 53.4 | 39% | 0.385 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -83.9 | 8.3 | 162.4 | 71.2 | -67.9 | 0 | 0 | 0 | 111.4 | K1628 C1629 T1633 F1634 | N1614-K1628 CarbonylContact O-C 3.55Å; N1614-K1628 WeakPolarHBondContact O-CA 3.48Å; N1614-C1629 HydrophobicContact CB-CB 4.46Å; N1614-C1629 PolarHBondContact O-N 3.06Å; N1614-T1633 WeakPolarHBondContact CB-O 3.48Å; N1614-F1634 HydrophobicContact CB-CD1 4.48Å |
| 1615 | I | 89.4 | Confident | 86.5 | Confident | 47 Ų | 47 | 54.6 Ų | 54.6 | 24% | 0.241 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 145.1 | 174.4 | -61.8 | 171.8 | 0 | 0 | 0 | 108.8 | D1607 S1613 Y1617 T1626 R1627 K1628 | D1607-I1615 WeakPolarHBondContact CB-O 3.31Å; S1613-I1615 WeakPolarHBondContact CB-O 3.29Å; S1613-I1615 PolarHBondContact OG-N 3.46Å; S1613-I1615 VanDerWaalsContact OG-N 3.11Å; I1615-Y1617 HydrophobicContact CG2-CE2 4.33Å; I1615-T1626 HydrophobicContact CG2-CG2 3.55Å; I1615-R1627 CarbonylContact C-O 3.54Å; I1615-R1627 VanDerWaalsContact CA-O 3.31Å; I1615-R1627 WeakPolarHBondContact CA-O 3.03Å; I1615-K1628 HydrophobicContact CG1-CG 4.37Å |
| 1616 | F | 93.3 | Very high | 86.4 | Confident | 19 Ų | 19 | 54.4 Ų | 54.4 | 8% | 0.083 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 177.1 | 170.3 | 68.4 | -78.2 | 0 | 0 | 0 | 109.4 | N1604 Y1605 R1627 Y1635 | N1604-F1616 HydrophobicContact CB-CD2 4.14Å; N1604-F1616 HydrophobicContact CB-CE2 4.2Å; Y1605-F1616 WeakPolarHBondContact O-CB 3.37Å; F1616-R1627 HydrophobicContact CD1-CB 3.91Å; F1616-R1627 HydrophobicContact CD2-CB 4.25Å; F1616-R1627 HydrophobicContact CE1-CB 3.56Å; F1616-R1627 HydrophobicContact CE2-CB 3.95Å; F1616-R1627 HydrophobicContact CE2-CG 4.33Å; F1616-R1627 HydrophobicContact CG-CB 4.25Å; F1616-R1627 HydrophobicContact CZ-CB 3.59Å; F1616-R1627 HydrophobicContact CZ-CG 4.21Å; F1616-R1627 PolarHBondContact N-O 2.84Å; F1616-R1627 PolarHBondContact O-N 2.81Å; F1616-Y1635 HydrophobicContact CB-CD1 3.7Å; F1616-Y1635 HydrophobicContact CB-CD2 3.87Å; F1616-Y1635 HydrophobicContact CB-CE1 4.13Å; F1616-Y1635 HydrophobicContact CB-CE2 4.3Å; F1616-Y1635 HydrophobicContact CB-CG 3.55Å; F1616-Y1635 AromaticContact CD1-CD2 3.84Å; F1616-Y1635 HydrophobicContact CD1-CD2 3.84Å; F1616-Y1635 HydrophobicContact CD1-CG 4.13Å; F1616-Y1635 AromaticContact CD2-CD2 3.8Å; F1616-Y1635 HydrophobicContact CD2-CD2 3.8Å; F1616-Y1635 AromaticContact CD2-CE2 3.69Å; F1616-Y1635 HydrophobicContact CD2-CE2 3.69Å; F1616-Y1635 HydrophobicContact CD2-CG 4.38Å; F1616-Y1635 HydrophobicContact CE1-CD2 4.27Å; F1616-Y1635 HydrophobicContact CE2-CD2 4.22Å; F1616-Y1635 HydrophobicContact CE2-CE2 4.04Å; F1616-Y1635 HydrophobicContact CG-CD1 4.35Å; F1616-Y1635 AromaticContact CG-CD2 3.58Å; F1616-Y1635 HydrophobicContact CG-CD2 3.58Å; F1616-Y1635 AromaticContact CG-CE2 3.97Å; F1616-Y1635 HydrophobicContact CG-CE2 3.97Å; F1616-Y1635 AromaticContact CG-CG 3.81Å; F1616-Y1635 HydrophobicContact CG-CG 3.81Å; F1616-Y1635 HydrophobicContact CZ-CD2 4.43Å |
| 1617 | Y | 93.8 | Very high | 86.2 | Confident | 16 Ų | 16 | 56.5 Ų | 56.5 | 6% | 0.063 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 125.8 | -175.4 | -62.9 | -93.4 | 0 | 0 | 0 | 111 | T1593 G1594 I1595 Y1605 D1607 I1615 I1625 T1626 | T1593-Y1617 PolarHBondContact O-OH 2.83Å; T1593-Y1617 VanDerWaalsContact O-OH 3.05Å; G1594-Y1617 VanDerWaalsContact CA-CE1 3.44Å; G1594-Y1617 WeakPolarHBondContact CA-OH 3.43Å; I1595-Y1617 VanDerWaalsContact CD1-CB 3.48Å; I1595-Y1617 HydrophobicContact CD1-CG 4.31Å; I1595-Y1617 HydrophobicContact CG1-CD1 4.37Å; I1595-Y1617 HydrophobicContact CG1-CG 4.01Å; I1595-Y1617 HydrophobicContact CG2-CD2 4.22Å; I1595-Y1617 HydrophobicContact CG2-CG 4.42Å; Y1605-Y1617 PolarHBondContact N-O 3Å; Y1605-Y1617 PolarHBondContact O-N 3.27Å; D1607-Y1617 HydrophobicContact CB-CE2 4.3Å; I1615-Y1617 HydrophobicContact CG2-CE2 4.33Å; Y1617-I1625 CarbonylContact C-O 3.49Å; Y1617-I1625 VanDerWaalsContact CA-O 3.31Å; Y1617-I1625 WeakPolarHBondContact CA-O 3.06Å; Y1617-T1626 HydrophobicContact CD1-CG2 4.38Å; Y1617-T1626 HydrophobicContact CE1-CG2 3.9Å; Y1617-T1626 WeakPolarHBondContact CE1-OG1 3.41Å |
| 1618 | T | 91.6 | Very high | 86 | Confident | 14 Ų | 14 | 61 Ų | 61 | 9% | 0.086 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 130.6 | 167.6 | -52.8 | 0 | 0 | 0 | 0 | 109.2 | N1604 I1625 R1627 | N1604-T1618 WeakPolarHBondContact OD1-CB 3.42Å; N1604-T1618 WeakPolarHBondContact OD1-CG2 3.23Å; N1604-T1618 PolarHBondContact OD1-OG1 2.83Å; T1618-I1625 PolarHBondContact N-O 3.45Å; T1618-I1625 PolarHBondContact O-N 2.91Å; T1618-R1627 WeakPolarHBondContact OG1-CD 3.42Å; T1618-R1627 PolarHBondContact OG1-NE 2.97Å |
| 1619 | C | 90.2 | Very high | 86.4 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.007 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 128.6 | 162.1 | -68.8 | 0 | 0 | 0 | 0 | 110 | I1595 C1597 E1601 N1602 D1603 Y1605 V1623 | I1595-C1619 WeakPolarHBondContact CD1-SG 3.32Å; C1597-C1619 HydrophobicContact CB-CB 3.71Å; C1597-C1619 WeakPolarHBondContact CB-SG 3.33Å; C1597-C1619 WeakPolarHBondContact SG-CA 3.37Å; C1597-C1619 WeakPolarHBondContact SG-CB 3.42Å; C1597-C1619 CovalentContact SG-SG 2.03Å; C1597-C1619 PolarHBondContact SG-SG 2.77Å; E1601-C1619 WeakPolarHBondContact O-CB 3.21Å; N1602-C1619 CarbonylContact C-O 3.59Å; N1602-C1619 WeakPolarHBondContact CA-O 3.34Å; D1603-C1619 PolarHBondContact N-O 2.76Å; D1603-C1619 PolarHBondContact O-N 3.07Å; Y1605-C1619 HydrophobicContact CD2-CB 4.32Å; Y1605-C1619 HydrophobicContact CE2-CB 3.82Å; Y1605-C1619 WeakPolarHBondContact CE2-SG 3.46Å; C1619-V1623 WeakPolarHBondContact CA-O 3.36Å |
| 1620 | T | 81.7 | Confident | 86.4 | Confident | 56 Ų | 56 | 55.6 Ų | 55.6 | 34% | 0.344 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 116.5 | 169.2 | -54.8 | 0 | 0 | 0 | 0 | 109 | G1622 V1623 | T1620-G1622 PolarHBondContact O-N 2.84Å; T1620-V1623 PolarHBondContact N-O 3.45Å; T1620-V1623 WeakPolarHBondContact O-CB 3.27Å; T1620-V1623 PolarHBondContact O-N 2.8Å |
| 1621 | N | 79.4 | Confident | 86 | Confident | 134 Ų | 134 | 57.3 Ų | 57.3 | 72% | 0.717 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 36.9 | 176.9 | -58.4 | -23.1 | 0 | 0 | 0 | 113.7 | N1602 | N1602-N1621 PolarHBondContact ND2-N 3.26Å; N1602-N1621 PolarHBondContact ND2-OD1 2.74Å; N1602-N1621 PolarHBondContact OD1-N 2.93Å |
| 1622 | G | 81.7 | Confident | 86 | Confident | 35 Ų | 35 | 54 Ų | 54 | 36% | 0.361 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.3 | -0.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | C1597 T1620 | C1597-G1622 VanDerWaalsContact CB-C 3.5Å; C1597-G1622 WeakPolarHBondContact CB-O 3.44Å; T1620-G1622 PolarHBondContact O-N 2.84Å |
| 1623 | V | 76.1 | Confident | 86 | Confident | 93 Ų | 93 | 54 Ų | 54 | 56% | 0.564 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99 | 134.1 | 175.7 | -175.5 | 0 | 0 | 0 | 0 | 110.6 | C1619 T1620 | C1619-V1623 WeakPolarHBondContact CA-O 3.36Å; T1620-V1623 PolarHBondContact N-O 3.45Å; T1620-V1623 WeakPolarHBondContact O-CB 3.27Å; T1620-V1623 PolarHBondContact O-N 2.8Å |
| 1624 | S | 80.2 | Confident | 86 | Confident | 50 Ų | 50 | 55.9 Ų | 55.9 | 35% | 0.35 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 117 | 175.9 | 59.7 | 0 | 0 | 0 | 0 | 111.8 | I1595 C1597 | I1595-S1624 VanDerWaalsContact O-CB 3.3Å; I1595-S1624 WeakPolarHBondContact O-CB 3.06Å; I1595-S1624 PolarHBondContact O-OG 3.47Å; C1597-S1624 VanDerWaalsContact SG-CA 3.51Å |
| 1625 | I | 82 | Confident | 86.2 | Confident | 61 Ų | 61 | 53 Ų | 53 | 31% | 0.313 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 117 | 178.5 | -55.6 | 172.7 | 0 | 0 | 0 | 109 | Y1617 T1618 | Y1617-I1625 CarbonylContact C-O 3.49Å; Y1617-I1625 VanDerWaalsContact CA-O 3.31Å; Y1617-I1625 WeakPolarHBondContact CA-O 3.06Å; T1618-I1625 PolarHBondContact N-O 3.45Å; T1618-I1625 PolarHBondContact O-N 2.91Å |
| 1626 | T | 88.6 | Confident | 86.4 | Confident | 46 Ų | 46 | 50.7 Ų | 50.7 | 28% | 0.282 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 126.8 | 175.9 | -46.8 | 0 | 0 | 0 | 0 | 110.4 | I1615 Y1617 | I1615-T1626 HydrophobicContact CG2-CG2 3.55Å; Y1617-T1626 HydrophobicContact CD1-CG2 4.38Å; Y1617-T1626 HydrophobicContact CE1-CG2 3.9Å; Y1617-T1626 WeakPolarHBondContact CE1-OG1 3.41Å |
| 1627 | R | 86.6 | Confident | 86.2 | Confident | 97 Ų | 97 | 52.6 Ų | 52.6 | 37% | 0.366 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 144.8 | 174 | -67.3 | -166.6 | -176 | -94.1 | -1.4 | 111.3 | I1615 F1616 T1618 | I1615-R1627 CarbonylContact C-O 3.54Å; I1615-R1627 VanDerWaalsContact CA-O 3.31Å; I1615-R1627 WeakPolarHBondContact CA-O 3.03Å; F1616-R1627 HydrophobicContact CD1-CB 3.91Å; F1616-R1627 HydrophobicContact CD2-CB 4.25Å; F1616-R1627 HydrophobicContact CE1-CB 3.56Å; F1616-R1627 HydrophobicContact CE2-CB 3.95Å; F1616-R1627 HydrophobicContact CE2-CG 4.33Å; F1616-R1627 HydrophobicContact CG-CB 4.25Å; F1616-R1627 HydrophobicContact CZ-CB 3.59Å; F1616-R1627 HydrophobicContact CZ-CG 4.21Å; F1616-R1627 PolarHBondContact N-O 2.84Å; F1616-R1627 PolarHBondContact O-N 2.81Å; T1618-R1627 WeakPolarHBondContact OG1-CD 3.42Å; T1618-R1627 PolarHBondContact OG1-NE 2.97Å |
| 1628 | K | 87.1 | Confident | 85.8 | Confident | 109 Ų | 109 | 58.4 Ų | 58.4 | 47% | 0.474 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 137.4 | 170.7 | -67.1 | 171.9 | -176.9 | 170 | 0 | 109.5 | N1614 I1615 | N1614-K1628 CarbonylContact O-C 3.55Å; N1614-K1628 WeakPolarHBondContact O-CA 3.48Å; I1615-K1628 HydrophobicContact CG1-CG 4.37Å |
| 1629 | C | 91 | Very high | 85.8 | Confident | 11 Ų | 11 | 62.3 Ų | 62.3 | 7% | 0.074 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 154.1 | 165.5 | -76.6 | 0 | 0 | 0 | 0 | 111 | N1614 T1633 C1642 | N1614-C1629 HydrophobicContact CB-CB 4.46Å; N1614-C1629 PolarHBondContact O-N 3.06Å; C1629-T1633 VanDerWaalsContact CB-O 3.31Å; C1629-T1633 WeakPolarHBondContact CB-O 3.44Å; C1629-C1642 WeakPolarHBondContact CA-SG 3.3Å; C1629-C1642 HydrophobicContact CB-CB 3.65Å; C1629-C1642 WeakPolarHBondContact CB-SG 3.31Å; C1629-C1642 WeakPolarHBondContact SG-CB 3.06Å; C1629-C1642 CovalentContact SG-SG 2.04Å; C1629-C1642 PolarHBondContact SG-SG 2.84Å |
| 1630 | A | 83.1 | Confident | 85.9 | Confident | 71 Ų | 71 | 65.6 Ų | 65.6 | 59% | 0.587 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 151 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | G1632 T1633 | A1630-G1632 PolarHBondContact O-N 3Å; A1630-T1633 PolarHBondContact N-OG1 2.78Å; A1630-T1633 PolarHBondContact O-N 3.26Å; A1630-T1633 PolarHBondContact O-OG1 2.88Å |
| 1631 | A | 76 | Confident | 86.3 | Confident | 110 Ų | 110 | 66.4 Ų | 66.4 | 91% | 0.909 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.3 | 123.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | T1633 | A1631-T1633 VanDerWaalsContact C-N 3.33Å; A1631-T1633 PolarHBondContact O-N 3.37Å |
| 1632 | G | 80.8 | Confident | 87 | Confident | 56 Ų | 56 | 62.2 Ų | 62.2 | 58% | 0.577 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | -1.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | A1630 | A1630-G1632 PolarHBondContact O-N 3Š|
| 1633 | T | 90.5 | Very high | 87.6 | Confident | 26 Ų | 26 | 61.9 Ų | 61.9 | 16% | 0.16 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 153.4 | 173.1 | 65 | 0 | 0 | 0 | 0 | 112.1 | N1614 C1629 A1630 A1631 D1643 L1644 | N1614-T1633 WeakPolarHBondContact CB-O 3.48Å; C1629-T1633 VanDerWaalsContact CB-O 3.31Å; C1629-T1633 WeakPolarHBondContact CB-O 3.44Å; A1630-T1633 PolarHBondContact N-OG1 2.78Å; A1630-T1633 PolarHBondContact O-N 3.26Å; A1630-T1633 PolarHBondContact O-OG1 2.88Å; A1631-T1633 VanDerWaalsContact C-N 3.33Å; A1631-T1633 PolarHBondContact O-N 3.37Å; T1633-D1643 CarbonylContact C-O 3.45Å; T1633-D1643 WeakPolarHBondContact CA-O 3.4Å; T1633-D1643 WeakPolarHBondContact CB-O 3.25Å; T1633-L1644 HydrophobicContact CG2-CD2 4.34Å |
| 1634 | F | 92.8 | Very high | 88.1 | Confident | 49 Ų | 49 | 61.1 Ų | 61.1 | 22% | 0.215 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 149.2 | -173.8 | -71.3 | -106.4 | 0 | 0 | 0 | 108.7 | C1612 S1613 N1614 D1636 C1642 D1643 V1648 | C1612-F1634 VanDerWaalsContact SG-CD1 3.58Å; S1613-F1634 VanDerWaalsContact C-CD1 3.43Å; S1613-F1634 WeakPolarHBondContact O-CA 3.32Å; N1614-F1634 HydrophobicContact CB-CD1 4.48Å; F1634-D1636 PolarHBondContact O-N 3.08Å; F1634-C1642 WeakPolarHBondContact O-CA 3.41Å; F1634-D1643 PolarHBondContact N-O 2.91Å; F1634-D1643 PolarHBondContact O-N 2.03Å; F1634-V1648 HydrophobicContact CB-CG2 4.01Å; F1634-V1648 WeakPolarHBondContact O-CG2 3.25Å |
| 1635 | Y | 94.5 | Very high | 88.4 | Confident | 11 Ų | 11 | 60.8 Ų | 60.8 | 4% | 0.043 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 126.4 | -175.8 | -179.3 | -109.7 | 0 | 0 | 0 | 111.5 | N1604 P1606 S1613 F1616 P1637 D1640 V1648 | N1604-Y1635 HydrophobicContact CB-CE2 4.27Å; N1604-Y1635 WeakPolarHBondContact CB-OH 3.03Å; N1604-Y1635 PolarHBondContact O-OH 2.9Å; N1604-Y1635 VanDerWaalsContact O-OH 3.06Å; P1606-Y1635 HydrophobicContact CB-CD1 3.92Å; P1606-Y1635 HydrophobicContact CB-CE1 3.99Å; S1613-Y1635 PolarHBondContact O-N 3.11Å; S1613-Y1635 VanDerWaalsContact O-N 3.07Å; F1616-Y1635 HydrophobicContact CB-CD1 3.7Å; F1616-Y1635 HydrophobicContact CB-CD2 3.87Å; F1616-Y1635 HydrophobicContact CB-CE1 4.13Å; F1616-Y1635 HydrophobicContact CB-CE2 4.3Å; F1616-Y1635 HydrophobicContact CB-CG 3.55Å; F1616-Y1635 AromaticContact CD1-CD2 3.84Å; F1616-Y1635 HydrophobicContact CD1-CD2 3.84Å; F1616-Y1635 HydrophobicContact CD1-CG 4.13Å; F1616-Y1635 AromaticContact CD2-CD2 3.8Å; F1616-Y1635 HydrophobicContact CD2-CD2 3.8Å; F1616-Y1635 AromaticContact CD2-CE2 3.69Å; F1616-Y1635 HydrophobicContact CD2-CE2 3.69Å; F1616-Y1635 HydrophobicContact CD2-CG 4.38Å; F1616-Y1635 HydrophobicContact CE1-CD2 4.27Å; F1616-Y1635 HydrophobicContact CE2-CD2 4.22Å; F1616-Y1635 HydrophobicContact CE2-CE2 4.04Å; F1616-Y1635 HydrophobicContact CG-CD1 4.35Å; F1616-Y1635 AromaticContact CG-CD2 3.58Å; F1616-Y1635 HydrophobicContact CG-CD2 3.58Å; F1616-Y1635 AromaticContact CG-CE2 3.97Å; F1616-Y1635 HydrophobicContact CG-CE2 3.97Å; F1616-Y1635 AromaticContact CG-CG 3.81Å; F1616-Y1635 HydrophobicContact CG-CG 3.81Å; F1616-Y1635 HydrophobicContact CZ-CD2 4.43Å; Y1635-P1637 HydrophobicContact CD1-CB 4.29Å; Y1635-P1637 HydrophobicContact CE1-CB 3.79Å; Y1635-P1637 WeakPolarHBondContact O-CD 3.34Å; Y1635-D1640 WeakPolarHBondContact CE2-OD1 3.31Å; Y1635-D1640 PolarHBondContact OH-OD1 2.99Å; Y1635-V1648 WeakPolarHBondContact O-CG1 3.47Å |
| 1636 | D | 93.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 95.1 | 174.3 | -163.6 | -13.9 | 0 | 0 | 0 | 110.2 | F1634 E1638 L1639 D1640 V1641 V1648 P1649 R1656 | F1634-D1636 PolarHBondContact O-N 3.08Å; D1636-E1638 PolarHBondContact O-N 2.71Å; D1636-E1638 VanDerWaalsContact O-N 3.1Å; D1636-E1638 PolarHBondContact OD1-N 3.46Å; D1636-L1639 HydrophobicContact CB-CB 4.37Å; D1636-L1639 PolarHBondContact O-N 3.24Å; D1636-D1640 PolarHBondContact O-N 2.66Å; D1636-V1641 PolarHBondContact N-O 2.04Å; D1636-V1648 HydrophobicContact CB-CG1 4.34Å; D1636-V1648 HydrophobicContact CB-CG2 4.13Å; D1636-P1649 WeakPolarHBondContact OD1-CD 3.31Å; D1636-R1656 IonicContact OD2-CZ 3.33Å; D1636-R1656 IonicContact OD2-NE 2.69Å; D1636-R1656 IonicContact OD2-NH2 3.63Å; D1636-R1656 PolarHBondContact OD2-NH2 2.04Å |
| 1637 | P | 89.1 | Confident | 88.3 | Confident | 58 Ų | 58 | 66.4 Ų | 66.4 | 38% | 0.377 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -5.9 | 179.4 | 28.5 | -36.2 | 0 | 0 | 0 | 114 | P1606 Y1635 L1639 | P1606-P1637 HydrophobicContact CB-CB 4.11Å; P1606-P1637 HydrophobicContact CB-CG 4.16Å; P1606-P1637 HydrophobicContact CG-CB 3.97Å; P1606-P1637 HydrophobicContact CG-CG 4.29Å; Y1635-P1637 HydrophobicContact CD1-CB 4.29Å; Y1635-P1637 HydrophobicContact CE1-CB 3.79Å; Y1635-P1637 WeakPolarHBondContact O-CD 3.34Å; P1637-L1639 VanDerWaalsContact C-N 3.34Å |
| 1638 | E | 86.1 | Confident | 88.4 | Confident | 139 Ų | 139 | 61.8 Ų | 61.8 | 65% | 0.65 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -11.9 | 169.5 | -63.1 | -171.4 | 179.5 | 0 | 0 | 112.8 | D1636 | D1636-E1638 PolarHBondContact O-N 2.71Å; D1636-E1638 VanDerWaalsContact O-N 3.1Å; D1636-E1638 PolarHBondContact OD1-N 3.46Å |
| 1639 | L | 90.4 | Very high | 88.3 | Confident | 95 Ų | 95 | 57.3 Ų | 57.3 | 50% | 0.497 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.3 | -8.2 | -173.9 | -67.3 | -178.6 | 0 | 0 | 0 | 115.3 | D1636 P1637 V1641 | D1636-L1639 HydrophobicContact CB-CB 4.37Å; D1636-L1639 PolarHBondContact O-N 3.24Å; P1637-L1639 VanDerWaalsContact C-N 3.34Å; L1639-V1641 VanDerWaalsContact C-N 3.34Å; L1639-V1641 HydrophobicContact CB-CG2 3.81Å; L1639-V1641 HydrophobicContact CD1-CG2 4.43Å; L1639-V1641 PolarHBondContact O-N 3.22Å |
| 1640 | D | 92.8 | Very high | 88 | Confident | 71 Ų | 71 | 58.8 Ų | 58.8 | 38% | 0.38 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 49.1 | -171.1 | -172.8 | 28.5 | 0 | 0 | 0 | 113.3 | N1604 Y1635 D1636 | N1604-D1640 WeakPolarHBondContact CB-OD1 3.45Å; N1604-D1640 VanDerWaalsContact ND2-CG 3.31Å; N1604-D1640 PolarHBondContact ND2-OD1 3.11Å; N1604-D1640 PolarHBondContact ND2-OD2 2.8Å; Y1635-D1640 WeakPolarHBondContact CE2-OD1 3.31Å; Y1635-D1640 PolarHBondContact OH-OD1 2.99Å; D1636-D1640 PolarHBondContact O-N 2.66Å |
| 1641 | V | 90.7 | Very high | 88.2 | Confident | 72 Ų | 72 | 56.5 Ų | 56.5 | 44% | 0.436 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 153.9 | 174.8 | -64.2 | 0 | 0 | 0 | 0 | 111.4 | D1636 L1639 | D1636-V1641 PolarHBondContact N-O 2.04Å; L1639-V1641 VanDerWaalsContact C-N 3.34Å; L1639-V1641 HydrophobicContact CB-CG2 3.81Å; L1639-V1641 HydrophobicContact CD1-CG2 4.43Å; L1639-V1641 PolarHBondContact O-N 3.22Å |
| 1642 | C | 94.1 | Very high | 88.3 | Confident | 47 Ų | 47 | 52.5 Ų | 52.5 | 32% | 0.318 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 115.5 | 163 | -58.9 | 0 | 0 | 0 | 0 | 109.7 | C1629 F1634 | C1629-C1642 WeakPolarHBondContact CA-SG 3.3Å; C1629-C1642 HydrophobicContact CB-CB 3.65Å; C1629-C1642 WeakPolarHBondContact CB-SG 3.31Å; C1629-C1642 WeakPolarHBondContact SG-CB 3.06Å; C1629-C1642 CovalentContact SG-SG 2.04Å; C1629-C1642 PolarHBondContact SG-SG 2.84Å; F1634-C1642 WeakPolarHBondContact O-CA 3.41Å |
| 1643 | D | 93.2 | Very high | 87.9 | Confident | 27 Ų | 27 | 57 Ų | 57 | 14% | 0.144 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 172.9 | 174.3 | -161.8 | -0.5 | 0 | 0 | 0 | 109.7 | T1633 F1634 R1647 V1648 R1656 | T1633-D1643 CarbonylContact C-O 3.45Å; T1633-D1643 WeakPolarHBondContact CA-O 3.4Å; T1633-D1643 WeakPolarHBondContact CB-O 3.25Å; F1634-D1643 PolarHBondContact N-O 2.91Å; F1634-D1643 PolarHBondContact O-N 2.03Å; D1643-R1647 VanDerWaalsContact CG-CD 3.43Å; D1643-R1647 WeakPolarHBondContact OD1-CD 3.35Å; D1643-R1647 IonicContact OD1-CZ 3.22Å; D1643-R1647 IonicContact OD1-NE 3.79Å; D1643-R1647 IonicContact OD1-NH1 2.69Å; D1643-R1647 PolarHBondContact OD1-NH1 3.35Å; D1643-R1647 WeakPolarHBondContact OD2-CB 3.33Å; D1643-R1647 WeakPolarHBondContact OD2-CD 3.44Å; D1643-R1647 IonicContact OD2-NH1 3.61Å; D1643-V1648 HydrophobicContact CB-CG2 4.33Å; D1643-R1656 IonicContact OD2-NH2 3.22Å |
| 1644 | L | 86.8 | Confident | 86.8 | Confident | 77 Ų | 77 | 58.5 Ų | 58.5 | 40% | 0.403 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 142.1 | 177.5 | -65.3 | 169.7 | 0 | 0 | 0 | 111 | T1633 N1646 R1647 V1648 | T1633-L1644 HydrophobicContact CG2-CD2 4.34Å; L1644-N1646 WeakPolarHBondContact CB-OD1 3.27Å; L1644-N1646 PolarHBondContact O-N 2.96Å; L1644-R1647 PolarHBondContact O-N 2.76Å; L1644-V1648 PolarHBondContact O-N 3.01Å |
| 1645 | S | 86.2 | Confident | 85.3 | Confident | 43 Ų | 43 | 62 Ų | 62 | 30% | 0.301 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | -31.4 | 180 | -165.2 | 0 | 0 | 0 | 0 | 114 | R1647 C1651 | S1645-R1647 VanDerWaalsContact C-N 3.27Å; S1645-R1647 PolarHBondContact O-N 3.49Å; S1645-C1651 WeakPolarHBondContact O-CB 3.44Å; S1645-C1651 WeakPolarHBondContact OG-CB 3.22Å |
| 1646 | N | 85.3 | Confident | 84.1 | Confident | 108 Ų | 108 | 66.2 Ų | 66.2 | 58% | 0.578 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | 2.8 | 177.9 | 67.3 | -1.1 | 0 | 0 | 0 | 115.3 | L1644 | L1644-N1646 WeakPolarHBondContact CB-OD1 3.27Å; L1644-N1646 PolarHBondContact O-N 2.96Å |
| 1647 | R | 84.3 | Confident | 82.3 | Confident | 117 Ų | 117 | 70.3 Ų | 70.3 | 44% | 0.442 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.3 | -32.1 | 177.1 | -66.9 | 169.9 | 179.1 | 177.6 | -0.8 | 113 | D1643 L1644 S1645 P1649 | D1643-R1647 VanDerWaalsContact CG-CD 3.43Å; D1643-R1647 WeakPolarHBondContact OD1-CD 3.35Å; D1643-R1647 IonicContact OD1-CZ 3.22Å; D1643-R1647 IonicContact OD1-NE 3.79Å; D1643-R1647 IonicContact OD1-NH1 2.69Å; D1643-R1647 PolarHBondContact OD1-NH1 3.35Å; D1643-R1647 WeakPolarHBondContact OD2-CB 3.33Å; D1643-R1647 WeakPolarHBondContact OD2-CD 3.44Å; D1643-R1647 IonicContact OD2-NH1 3.61Å; L1644-R1647 PolarHBondContact O-N 2.76Å; S1645-R1647 VanDerWaalsContact C-N 3.27Å; S1645-R1647 PolarHBondContact O-N 3.49Å; R1647-P1649 WeakPolarHBondContact O-CD 3.47Å |
| 1648 | V | 88 | Confident | 80 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -59.6 | 121.5 | 171.9 | -178.5 | 0 | 0 | 0 | 0 | 109 | F1634 Y1635 D1636 D1643 L1644 A1650 C1651 S1652 | F1634-V1648 HydrophobicContact CB-CG2 4.01Å; F1634-V1648 WeakPolarHBondContact O-CG2 3.25Å; Y1635-V1648 WeakPolarHBondContact O-CG1 3.47Å; D1636-V1648 HydrophobicContact CB-CG1 4.34Å; D1636-V1648 HydrophobicContact CB-CG2 4.13Å; D1643-V1648 HydrophobicContact CB-CG2 4.33Å; L1644-V1648 PolarHBondContact O-N 3.01Å; V1648-A1650 VanDerWaalsContact C-N 3.31Å; V1648-A1650 HydrophobicContact CG1-CB 4.47Å; V1648-A1650 PolarHBondContact O-N 3.12Å; V1648-C1651 HydrophobicContact CB-CB 4.1Å; V1648-C1651 HydrophobicContact CG1-CB 4.43Å; V1648-C1651 PolarHBondContact O-N 3.31Å; V1648-S1652 WeakPolarHBondContact O-CB 3.38Å; V1648-S1652 PolarHBondContact O-N 2.81Å; V1648-S1652 PolarHBondContact O-OG 2.97Å |
| 1649 | P | 85.7 | Confident | 77.9 | Confident | 16 Ų | 16 | 74 Ų | 74 | 10% | 0.104 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -38.8 | -174.9 | -27.2 | 35.9 | 0 | 0 | 0 | 113.5 | D1636 R1647 C1651 S1652 G1654 | D1636-P1649 WeakPolarHBondContact OD1-CD 3.31Å; R1647-P1649 WeakPolarHBondContact O-CD 3.47Å; P1649-C1651 VanDerWaalsContact C-N 3.34Å; P1649-C1651 PolarHBondContact O-N 3.45Å; P1649-S1652 WeakPolarHBondContact CA-OG 3.36Å; P1649-S1652 PolarHBondContact O-N 2.98Å; P1649-G1654 WeakPolarHBondContact O-CA 3.42Å; P1649-G1654 PolarHBondContact O-N 2.81Å |
| 1650 | A | 83.4 | Confident | 75.1 | Confident | 41 Ų | 41 | 76.9 Ų | 76.9 | 34% | 0.339 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -29.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | N1611 V1648 | N1611-A1650 WeakPolarHBondContact ND2-CB 3.46Å; N1611-A1650 WeakPolarHBondContact O-CB 3.31Å; V1648-A1650 VanDerWaalsContact C-N 3.31Å; V1648-A1650 HydrophobicContact CG1-CB 4.47Å; V1648-A1650 PolarHBondContact O-N 3.12Å |
| 1651 | C | 87 | Confident | 72.1 | Confident | 23 Ų | 23 | 78.7 Ų | 78.7 | 16% | 0.155 | 46% | 0.46 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -34.6 | 174.1 | -64.8 | 0 | 0 | 0 | 0 | 112.9 | C1612 S1645 V1648 P1649 N1653 | C1612-C1651 VanDerWaalsContact CA-SG 3.58Å; C1612-C1651 HydrophobicContact CB-CB 3.97Å; C1612-C1651 WeakPolarHBondContact CB-SG 3.45Å; C1612-C1651 WeakPolarHBondContact SG-CA 3.31Å; C1612-C1651 WeakPolarHBondContact SG-CB 3.38Å; C1612-C1651 CovalentContact SG-SG 2.03Å; C1612-C1651 PolarHBondContact SG-SG 3.24Å; S1645-C1651 WeakPolarHBondContact O-CB 3.44Å; S1645-C1651 WeakPolarHBondContact OG-CB 3.22Å; V1648-C1651 HydrophobicContact CB-CB 4.1Å; V1648-C1651 HydrophobicContact CG1-CB 4.43Å; V1648-C1651 PolarHBondContact O-N 3.31Å; P1649-C1651 VanDerWaalsContact C-N 3.34Å; P1649-C1651 PolarHBondContact O-N 3.45Å; C1651-N1653 VanDerWaalsContact C-N 3.31Å; C1651-N1653 PolarHBondContact O-N 3.19Å |
| 1652 | S | 79.4 | Confident | 69.8 | Low | 26 Ų | 26 | 80.5 Ų | 80.5 | 18% | 0.182 | 47% | 0.473 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 26.2 | -174 | 58.4 | 0 | 0 | 0 | 0 | 114.4 | V1648 P1649 G1654 N1655 | V1648-S1652 WeakPolarHBondContact O-CB 3.38Å; V1648-S1652 PolarHBondContact O-N 2.81Å; V1648-S1652 PolarHBondContact O-OG 2.97Å; P1649-S1652 WeakPolarHBondContact CA-OG 3.36Å; P1649-S1652 PolarHBondContact O-N 2.98Å; S1652-G1654 PolarHBondContact O-N 2.75Å; S1652-N1655 PolarHBondContact O-N 3.29Å |
| 1653 | N | 70.8 | Confident | 66.7 | Low | 150 Ų | 150 | 83.6 Ų | 83.6 | 80% | 0.802 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 40.9 | -176.2 | -74.3 | -60.2 | 0 | 0 | 0 | 113.2 | C1651 N1655 | C1651-N1653 VanDerWaalsContact C-N 3.31Å; C1651-N1653 PolarHBondContact O-N 3.19Å; N1653-N1655 PolarHBondContact O-N 2.76Å; N1653-N1655 PolarHBondContact O-ND2 3.47Å; N1653-N1655 VanDerWaalsContact O-ND2 3.07Å |
| 1654 | G | 68.9 | Low | 63.8 | Low | 59 Ų | 59 | 89.2 Ų | 89.2 | 61% | 0.608 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | 7.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | P1649 S1652 | P1649-G1654 WeakPolarHBondContact O-CA 3.42Å; P1649-G1654 PolarHBondContact O-N 2.81Å; S1652-G1654 PolarHBondContact O-N 2.75Å |
| 1655 | N | 60 | Low | 61.1 | Low | 123 Ų | 123 | 90.5 Ų | 90.5 | 66% | 0.658 | 55% | 0.546 | S | S | * | . | trans | -108.5 | 77 | -172.5 | -72.4 | -76.1 | 0 | 0 | 0 | 113.4 | S1652 N1653 P1657 | S1652-N1655 PolarHBondContact O-N 3.29Å; N1653-N1655 PolarHBondContact O-N 2.76Å; N1653-N1655 PolarHBondContact O-ND2 3.47Å; N1653-N1655 VanDerWaalsContact O-ND2 3.07Å; N1655-P1657 VanDerWaalsContact O-CD 3.31Å; N1655-P1657 WeakPolarHBondContact O-CD 3.42Å | ||
| 1656 | R | 70.4 | Confident | 58.4 | Low | 98 Ų | 98 | 93.7 Ų | 93.7 | 37% | 0.37 | 57% | 0.569 | S | S | . | * | trans | -63.1 | 117.9 | 174.9 | -156.5 | 171.9 | -148 | -70.6 | -16.7 | 111 | D1636 D1643 T1658 | D1636-R1656 IonicContact OD2-CZ 3.33Å; D1636-R1656 IonicContact OD2-NE 2.69Å; D1636-R1656 IonicContact OD2-NH2 3.63Å; D1636-R1656 PolarHBondContact OD2-NH2 2.04Å; D1643-R1656 IonicContact OD2-NH2 3.22Å; R1656-T1658 PolarHBondContact O-N 2.96Å; R1656-T1658 VanDerWaalsContact O-N 3.07Å; R1656-T1658 PolarHBondContact O-OG1 2.03Å; R1656-T1658 VanDerWaalsContact O-OG1 3.06Å | ||
| 1657 | P | 54.6 | Low | 55.8 | Low | 87 Ų | 87 | 97.5 Ų | 97.5 | 57% | 0.565 | 58% | 0.583 | S | S | * | * | trans | -60.4 | 111.2 | -169.4 | -27.9 | 36.3 | 0 | 0 | 0 | 114.4 | N1655 T1659 | N1655-P1657 VanDerWaalsContact O-CD 3.31Å; N1655-P1657 WeakPolarHBondContact O-CD 3.42Å; P1657-T1659 PolarHBondContact O-N 3.45Å | ||
| 1658 | T | 42.4 | Very low | 53 | Low | 135 Ų | 135 | 98.6 Ų | 98.6 | 83% | 0.828 | 60% | 0.603 | S | S | * | * | trans | -98.1 | 85.4 | -170.4 | -18.9 | 0 | 0 | 0 | 0 | 112.8 | R1656 | R1656-T1658 PolarHBondContact O-N 2.96Å; R1656-T1658 VanDerWaalsContact O-N 3.07Å; R1656-T1658 PolarHBondContact O-OG1 2.03Å; R1656-T1658 VanDerWaalsContact O-OG1 3.06Å | ||
| 1659 | T | 40.9 | Very low | 50 | Low | 138 Ų | 138 | 109.2 Ų | 109.2 | 85% | 0.847 | 64% | 0.643 | S | S | * | * | trans | -86.3 | 143.5 | 171.6 | 44.5 | 0 | 0 | 0 | 0 | 112.1 | P1657 | P1657-T1659 PolarHBondContact O-N 3.45Š| ||
| 1660 | L | 31.9 | Very low | 47.4 | Very low | 157 Ų | 157 | 113.5 Ų | 113.5 | 82% | 0.822 | 67% | 0.669 | S | S | * | * | trans | -100.1 | 122.8 | -163.1 | -74.7 | 165.8 | 0 | 0 | 0 | 114.7 | ||||
| 1661 | S | 30.1 | Very low | 44.8 | Very low | 108 Ų | 108 | 118.6 Ų | 118.6 | 76% | 0.755 | 70% | 0.696 | S | S | * | * | trans | 68.8 | 164 | 145.7 | -66.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1662 | P | 42.5 | Very low | 42.5 | Very low | 110 Ų | 110 | 122.1 Ų | 122.1 | 71% | 0.714 | 71% | 0.712 | S | S | * | * | cis | -125.7 | 139.3 | -7.6 | 31.6 | -13.4 | 0 | 0 | 0 | 115.7 | ||||
| 1663 | S | 28.7 | Very low | 41.3 | Very low | 112 Ų | 112 | 124.5 Ų | 124.5 | 78% | 0.783 | 73% | 0.733 | S | S | * | * | trans | 16 | 123.6 | 148.4 | 62.1 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1664 | T | 32.2 | Very low | 41.6 | Very low | 145 Ų | 145 | 119.5 Ų | 119.5 | 89% | 0.89 | 71% | 0.705 | S | S | * | * | -130.6 | 153.9 | 129.8 | -49.3 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 1665 | S | 30.5 | Very low | 42.2 | Very low | 104 Ų | 104 | 120 Ų | 120 | 73% | 0.727 | 69% | 0.693 | S | S | * | * | trans | -82.8 | 128 | -161.7 | 54.5 | 0 | 0 | 0 | 0 | 115.2 | Q1667 | S1665-Q1667 PolarHBondContact O-N 3.01Š| ||
| 1666 | S | 28.8 | Very low | 43.6 | Very low | 111 Ų | 111 | 114.3 Ų | 114.3 | 78% | 0.776 | 66% | 0.663 | S | S | * | * | trans | 25.6 | 92.3 | 139.7 | -171.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1667 | Q | 30.9 | Very low | 44.1 | Very low | 188 Ų | 188 | 113.8 Ų | 113.8 | 88% | 0.879 | 67% | 0.674 | S | S | * | * | trans | -118.9 | 137.6 | 135 | -71.7 | -172.3 | -10.8 | 0 | 0 | 107 | S1665 R1669 | S1665-Q1667 PolarHBondContact O-N 3.01Å; Q1667-R1669 PolarHBondContact O-N 2.9Å | ||
| 1668 | T | 26.9 | Very low | 45.4 | Very low | 139 Ų | 139 | 113.5 Ų | 113.5 | 85% | 0.853 | 69% | 0.688 | S | S | * | * | trans | -67.5 | 120.9 | 175.9 | 41.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1669 | R | 25.1 | Very low | 47.4 | Very low | 223 Ų | 223 | 109.5 Ų | 109.5 | 84% | 0.842 | 66% | 0.661 | S | S | * | * | trans | -134.4 | 91.2 | 163 | -179 | 169.9 | -79.1 | -144.4 | -9.4 | 108.1 | Q1667 | Q1667-R1669 PolarHBondContact O-N 2.9Š| ||
| 1670 | T | 30 | Very low | 49.3 | Very low | 106 Ų | 106 | 107.2 Ų | 107.2 | 65% | 0.65 | 65% | 0.648 | S | S | * | * | trans | -52.7 | 146.6 | 151.5 | 26.5 | 0 | 0 | 0 | 0 | 109 | I1672 | T1670-I1672 PolarHBondContact O-N 3.11Š| ||
| 1671 | T | 29.8 | Very low | 52 | Low | 149 Ų | 149 | 104.2 Ų | 104.2 | 91% | 0.914 | 63% | 0.633 | S | S | * | * | trans | -77.4 | 69.8 | 170.1 | 37.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1672 | I | 37.7 | Very low | 54.8 | Low | 97 Ų | 97 | 100.6 Ų | 100.6 | 50% | 0.497 | 61% | 0.613 | S | S | . | * | trans | -66.4 | 146.1 | 173.3 | -36.3 | -177.3 | 0 | 0 | 0 | 108.4 | T1670 D1675 | T1670-I1672 PolarHBondContact O-N 3.11Å; I1672-D1675 HydrophobicContact CB-CB 4.5Å; I1672-D1675 HydrophobicContact CD1-CB 4.32Å | ||
| 1673 | A | 54 | Low | 57.2 | Low | 75 Ų | 75 | 97.8 Ų | 97.8 | 62% | 0.62 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -46.4 | 141.5 | 153.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | D1675 | A1673-D1675 PolarHBondContact O-N 3.43Š|
| 1674 | F | 77.6 | Confident | 60.2 | Low | 45 Ų | 45 | 96 Ų | 96 | 20% | 0.197 | 57% | 0.568 | C | S | . | * | S | Bend | trans | -38.5 | 107 | -157.2 | -178.5 | -92.1 | 0 | 0 | 0 | 114.4 | C1676 L1679 W1684 F1694 S1701 | F1674-C1676 PolarHBondContact O-N 3.15Å; F1674-L1679 HydrophobicContact CD1-CD1 4.45Å; F1674-L1679 HydrophobicContact CE1-CD1 3.36Å; F1674-L1679 HydrophobicContact CZ-CD1 3.48Å; F1674-L1679 VanDerWaalsContact CZ-CD1 3.48Å; F1674-W1684 HydrophobicContact CE1-CB 3.53Å; F1674-W1684 AromaticContact CE1-CD1 3.98Å; F1674-W1684 AromaticContact CE1-CG 3.77Å; F1674-W1684 HydrophobicContact CE1-CG 3.77Å; F1674-W1684 HydrophobicContact CE2-CB 4.06Å; F1674-W1684 HydrophobicContact CZ-CB 3.21Å; F1674-W1684 HydrophobicContact CZ-CD2 4.41Å; F1674-W1684 AromaticContact CZ-CG 3.72Å; F1674-W1684 HydrophobicContact CZ-CG 3.72Å; F1674-F1694 HydrophobicContact CB-CB 3.78Å; F1674-F1694 HydrophobicContact CB-CD1 3.41Å; F1674-F1694 VanDerWaalsContact CB-CD1 3.41Å; F1674-F1694 HydrophobicContact CB-CD2 3.46Å; F1674-F1694 VanDerWaalsContact CB-CD2 3.46Å; F1674-F1694 HydrophobicContact CB-CE1 3.72Å; F1674-F1694 HydrophobicContact CB-CE2 3.76Å; F1674-F1694 HydrophobicContact CB-CG 3.26Å; F1674-F1694 HydrophobicContact CB-CZ 3.88Å; F1674-F1694 HydrophobicContact CD1-CB 3.47Å; F1674-F1694 VanDerWaalsContact CD1-CB 3.47Å; F1674-F1694 HydrophobicContact CD1-CD2 4.31Å; F1674-F1694 AromaticContact CD1-CG 3.96Å; F1674-F1694 HydrophobicContact CD1-CG 3.96Å; F1674-F1694 HydrophobicContact CD2-CB 4.13Å; F1674-F1694 AromaticContact CD2-CD2 3.43Å; F1674-F1694 HydrophobicContact CD2-CD2 3.43Å; F1674-F1694 VanDerWaalsContact CD2-CD2 3.43Å; F1674-F1694 AromaticContact CD2-CE2 3.97Å; F1674-F1694 HydrophobicContact CD2-CE2 3.97Å; F1674-F1694 AromaticContact CD2-CG 3.92Å; F1674-F1694 HydrophobicContact CD2-CG 3.92Å; F1674-F1694 HydrophobicContact CE1-CB 4.11Å; F1674-F1694 HydrophobicContact CE2-CD2 4.29Å; F1674-F1694 HydrophobicContact CG-CB 3.51Å; F1674-F1694 HydrophobicContact CG-CD1 4.12Å; F1674-F1694 AromaticContact CG-CD2 3.46Å; F1674-F1694 HydrophobicContact CG-CD2 3.46Å; F1674-F1694 VanDerWaalsContact CG-CD2 3.46Å; F1674-F1694 HydrophobicContact CG-CE2 4.14Å; F1674-F1694 AromaticContact CG-CG 3.44Å; F1674-F1694 HydrophobicContact CG-CG 3.44Å; F1674-F1694 VanDerWaalsContact CG-CG 3.44Å; F1674-S1701 WeakPolarHBondContact O-CB 3.2Å; F1674-S1701 PolarHBondContact O-OG 2.8Å |
| 1675 | D | 80.8 | Confident | 62.7 | Low | 70 Ų | 70 | 90.6 Ų | 90.6 | 37% | 0.374 | 54% | 0.537 | S | S | . | . | trans | -70.4 | 94.1 | -167.9 | -175.9 | 8.3 | 0 | 0 | 0 | 112.2 | I1672 A1673 S1677 L1679 | I1672-D1675 HydrophobicContact CB-CB 4.5Å; I1672-D1675 HydrophobicContact CD1-CB 4.32Å; A1673-D1675 PolarHBondContact O-N 3.43Å; D1675-S1677 PolarHBondContact O-N 2.91Å; D1675-S1677 WeakPolarHBondContact OD1-CB 3.48Å; D1675-S1677 PolarHBondContact OD1-N 2.91Å; D1675-S1677 PolarHBondContact OD1-OG 3.09Å; D1675-S1677 PolarHBondContact OD2-OG 2.63Å; D1675-L1679 WeakPolarHBondContact O-CD1 3.48Å | ||
| 1676 | C | 89.4 | Confident | 65.3 | Low | 3 Ų | 3 | 87.1 Ų | 87.1 | 2% | 0.02 | 52% | 0.515 | C | S | . | . | trans | -72.5 | -1.8 | 173.4 | -70.1 | 0 | 0 | 0 | 0 | 113.4 | F1674 G1678 L1679 C1696 G1699 F1700 S1701 | F1674-C1676 PolarHBondContact O-N 3.15Å; C1676-G1678 PolarHBondContact O-N 3.27Å; C1676-L1679 PolarHBondContact O-N 3.04Å; C1676-C1696 HydrophobicContact CB-CB 3.85Å; C1676-C1696 WeakPolarHBondContact CB-SG 3.23Å; C1676-C1696 WeakPolarHBondContact SG-CA 3.45Å; C1676-C1696 WeakPolarHBondContact SG-CB 3.4Å; C1676-C1696 CovalentContact SG-SG 2.04Å; C1676-C1696 PolarHBondContact SG-SG 3.32Å; C1676-G1699 WeakPolarHBondContact CB-O 3.04Å; C1676-F1700 PolarHBondContact SG-O 3.44Å; C1676-S1701 VanDerWaalsContact SG-CB 3.56Å | ||
| 1677 | S | 82.1 | Confident | 67.8 | Low | 87 Ų | 87 | 83.2 Ų | 83.2 | 61% | 0.608 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | 109.6 | -179.1 | 75.3 | 0 | 0 | 0 | 0 | 111.6 | D1675 | D1675-S1677 PolarHBondContact O-N 2.91Å; D1675-S1677 WeakPolarHBondContact OD1-CB 3.48Å; D1675-S1677 PolarHBondContact OD1-N 2.91Å; D1675-S1677 PolarHBondContact OD1-OG 3.09Å; D1675-S1677 PolarHBondContact OD2-OG 2.63Å |
| 1678 | G | 80.2 | Confident | 70 | Confident | 82 Ų | 82 | 80.4 Ų | 80.4 | 85% | 0.845 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.7 | 5.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115 | C1676 | C1676-G1678 PolarHBondContact O-N 3.27Š|
| 1679 | L | 84.5 | Confident | 72.7 | Confident | 51 Ų | 51 | 74.4 Ų | 74.4 | 27% | 0.267 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -90.1 | 135 | 161.9 | -61.8 | -177.3 | 0 | 0 | 0 | 109.1 | F1674 D1675 C1676 W1684 | F1674-L1679 HydrophobicContact CD1-CD1 4.45Å; F1674-L1679 HydrophobicContact CE1-CD1 3.36Å; F1674-L1679 HydrophobicContact CZ-CD1 3.48Å; F1674-L1679 VanDerWaalsContact CZ-CD1 3.48Å; D1675-L1679 WeakPolarHBondContact O-CD1 3.48Å; C1676-L1679 PolarHBondContact O-N 3.04Å; L1679-W1684 HydrophobicContact CB-CZ2 3.95Å; L1679-W1684 HydrophobicContact CD1-CD2 4Å; L1679-W1684 HydrophobicContact CD1-CE3 4.36Å; L1679-W1684 HydrophobicContact CD1-CG 4.22Å; L1679-W1684 HydrophobicContact CD2-CE3 4.35Å; L1679-W1684 HydrophobicContact CD2-CH2 3.92Å; L1679-W1684 HydrophobicContact CD2-CZ2 4.1Å; L1679-W1684 HydrophobicContact CD2-CZ3 4.04Å; L1679-W1684 HydrophobicContact CG-CZ2 4.45Å |
| 1680 | P | 82.1 | Confident | 75.7 | Confident | 89 Ų | 89 | 66.9 Ų | 66.9 | 58% | 0.578 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 152.4 | 165.5 | -25 | 34.1 | 0 | 0 | 0 | 112.3 | W1684 | P1680-W1684 PolarHBondContact O-NE1 2.84Å; P1680-W1684 VanDerWaalsContact O-NE1 3.1Å |
| 1681 | D | 88.3 | Confident | 78.4 | Confident | 95 Ų | 95 | 64.9 Ų | 64.9 | 51% | 0.508 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -58.8 | 147.3 | 171.2 | -66.4 | -5.4 | 0 | 0 | 0 | 111.3 | C1696 V1697 G1698 G1699 | D1681-C1696 CarbonylContact C-O 3.56Å; D1681-C1696 WeakPolarHBondContact CA-O 3.21Å; D1681-C1696 WeakPolarHBondContact CB-O 3.07Å; D1681-V1697 WeakPolarHBondContact OD1-CA 3.5Å; D1681-G1698 PolarHBondContact OD1-N 2.78Å; D1681-G1698 PolarHBondContact OD2-N 3.1Å; D1681-G1699 PolarHBondContact OD1-N 3.13Å |
| 1682 | G | 89.7 | Confident | 81.3 | Confident | 31 Ų | 31 | 60.9 Ų | 60.9 | 32% | 0.32 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 121.5 | -177.9 | -166.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | W1684 C1696 | G1682-W1684 PolarHBondContact O-NE1 2.8Å; G1682-C1696 PolarHBondContact N-O 3.23Å; G1682-C1696 PolarHBondContact O-N 2.04Å |
| 1683 | N | 92.7 | Very high | 84 | Confident | 51 Ų | 51 | 58.3 Ų | 58.3 | 27% | 0.273 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 143.8 | -167.5 | -56.9 | -32.6 | 0 | 0 | 0 | 113.5 | Y1693 Y1712 D1717 | N1683-Y1693 HydrophobicContact CB-CD2 3.74Å; N1683-Y1693 HydrophobicContact CB-CE2 3.94Å; N1683-Y1693 VanDerWaalsContact CG-CE2 3.43Å; N1683-Y1693 WeakPolarHBondContact OD1-CE2 3.05Å; N1683-Y1712 HydrophobicContact CB-CE2 3.93Å; N1683-Y1712 VanDerWaalsContact CB-OH 3.31Å; N1683-Y1712 WeakPolarHBondContact CB-OH 3.26Å; N1683-Y1712 PolarHBondContact O-OH 3.48Å; N1683-Y1712 VanDerWaalsContact O-OH 3.06Å; N1683-D1717 WeakPolarHBondContact CB-OD1 3.03Å; N1683-D1717 PolarHBondContact ND2-OD1 2.83Å |
| 1684 | W | 90.7 | Very high | 85.9 | Confident | 76 Ų | 76 | 56.3 Ų | 56.3 | 29% | 0.288 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 138.3 | -177.1 | -59.3 | 86.6 | 0 | 0 | 0 | 111.6 | F1674 L1679 P1680 G1682 A1686 Y1693 F1694 | F1674-W1684 HydrophobicContact CE1-CB 3.53Å; F1674-W1684 AromaticContact CE1-CD1 3.98Å; F1674-W1684 AromaticContact CE1-CG 3.77Å; F1674-W1684 HydrophobicContact CE1-CG 3.77Å; F1674-W1684 HydrophobicContact CE2-CB 4.06Å; F1674-W1684 HydrophobicContact CZ-CB 3.21Å; F1674-W1684 HydrophobicContact CZ-CD2 4.41Å; F1674-W1684 AromaticContact CZ-CG 3.72Å; F1674-W1684 HydrophobicContact CZ-CG 3.72Å; L1679-W1684 HydrophobicContact CB-CZ2 3.95Å; L1679-W1684 HydrophobicContact CD1-CD2 4Å; L1679-W1684 HydrophobicContact CD1-CE3 4.36Å; L1679-W1684 HydrophobicContact CD1-CG 4.22Å; L1679-W1684 HydrophobicContact CD2-CE3 4.35Å; L1679-W1684 HydrophobicContact CD2-CH2 3.92Å; L1679-W1684 HydrophobicContact CD2-CZ2 4.1Å; L1679-W1684 HydrophobicContact CD2-CZ3 4.04Å; L1679-W1684 HydrophobicContact CG-CZ2 4.45Å; P1680-W1684 PolarHBondContact O-NE1 2.84Å; P1680-W1684 VanDerWaalsContact O-NE1 3.1Å; G1682-W1684 PolarHBondContact O-NE1 2.8Å; W1684-A1686 PolarHBondContact O-N 2.85Å; W1684-Y1693 WeakPolarHBondContact O-CB 3.42Å; W1684-F1694 PolarHBondContact N-O 3.49Å; W1684-F1694 PolarHBondContact O-N 3.15Å |
| 1685 | A | 85.6 | Confident | 86.5 | Confident | 30 Ų | 30 | 54.8 Ų | 54.8 | 25% | 0.248 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 128 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111 | G1687 Y1712 | A1685-G1687 PolarHBondContact O-N 2.81Å; A1685-Y1712 HydrophobicContact CB-CD1 3.65Å; A1685-Y1712 HydrophobicContact CB-CE1 3.82Å |
| 1686 | A | 83.8 | Confident | 87.1 | Confident | 32 Ų | 32 | 51.5 Ų | 51.5 | 26% | 0.264 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -60.2 | -26.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | W1684 Q1690 Y1692 F1694 | W1684-A1686 PolarHBondContact O-N 2.85Å; A1686-Q1690 HydrophobicContact CB-CB 4.08Å; A1686-Q1690 HydrophobicContact CB-CG 3.97Å; A1686-Y1692 HydrophobicContact CB-CD2 3.68Å; A1686-Y1692 HydrophobicContact CB-CE2 3.24Å; A1686-Y1692 HydrophobicContact CB-CG 4.49Å; A1686-F1694 HydrophobicContact CB-CD2 3.74Å; A1686-F1694 HydrophobicContact CB-CE2 3.43Å; A1686-F1694 VanDerWaalsContact CB-CE2 3.43Å; A1686-F1694 HydrophobicContact CB-CZ 4.5Å |
| 1687 | G | 81.7 | Confident | 86.9 | Confident | 28 Ų | 28 | 55.4 Ų | 55.4 | 29% | 0.289 | 34% | 0.342 | S | S | . | . | S | Bend | trans | 178.6 | 179.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | A1685 C1689 | A1685-G1687 PolarHBondContact O-N 2.81Å; G1687-C1689 PolarHBondContact O-N 2.96Å; G1687-C1689 VanDerWaalsContact O-N 3.1Å |
| 1688 | D | 77.2 | Confident | 87 | Confident | 129 Ų | 129 | 54 Ų | 54 | 69% | 0.69 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 119.3 | 172.2 | -63 | -23.6 | 0 | 0 | 0 | 108.9 | Q1690 | D1688-Q1690 PolarHBondContact O-NE2 3.19Š|
| 1689 | C | 83 | Confident | 87.1 | Confident | 14 Ų | 14 | 51.9 Ų | 51.9 | 10% | 0.095 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 58.1 | 174.2 | -53.7 | 0 | 0 | 0 | 0 | 115.1 | G1687 F1711 C1728 | G1687-C1689 PolarHBondContact O-N 2.96Å; G1687-C1689 VanDerWaalsContact O-N 3.1Å; C1689-F1711 VanDerWaalsContact O-CD1 3.26Å; C1689-F1711 WeakPolarHBondContact O-CD1 3.27Å; C1689-C1728 HydrophobicContact CB-CB 3.95Å; C1689-C1728 WeakPolarHBondContact CB-SG 3.4Å; C1689-C1728 WeakPolarHBondContact SG-CA 3.24Å; C1689-C1728 WeakPolarHBondContact SG-CB 3.34Å; C1689-C1728 PolarHBondContact SG-N 3.29Å; C1689-C1728 CovalentContact SG-SG 2.02Å; C1689-C1728 PolarHBondContact SG-SG 3.39Å |
| 1690 | Q | 87.9 | Confident | 86.8 | Confident | 65 Ų | 65 | 56.6 Ų | 56.6 | 30% | 0.304 | 34% | 0.338 | S | S | . | . | trans | -93.4 | 148.4 | 168.8 | -62.9 | -56.5 | -70.8 | 0 | 0 | 111.3 | A1686 D1688 Y1692 F1711 Y1712 | A1686-Q1690 HydrophobicContact CB-CB 4.08Å; A1686-Q1690 HydrophobicContact CB-CG 3.97Å; D1688-Q1690 PolarHBondContact O-NE2 3.19Å; Q1690-Y1692 HydrophobicContact CB-CD1 4.14Å; Q1690-Y1692 HydrophobicContact CB-CE1 4.04Å; Q1690-Y1692 WeakPolarHBondContact CB-O 3.29Å; Q1690-Y1692 HydrophobicContact CG-CE1 4.41Å; Q1690-Y1692 PolarHBondContact O-N 2.95Å; Q1690-Y1692 VanDerWaalsContact O-N 3.12Å; Q1690-F1711 CarbonylContact O-C 3.49Å; Q1690-F1711 WeakPolarHBondContact O-CA 3.31Å; Q1690-Y1712 PolarHBondContact O-N 3.24Å | ||
| 1691 | P | 88.6 | Confident | 86.8 | Confident | 63 Ų | 63 | 54.1 Ų | 54.1 | 41% | 0.409 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -78.5 | 20.5 | 174.2 | 34.9 | -35.5 | 0 | 0 | 0 | 112.6 | C1706 F1711 | P1691-C1706 WeakPolarHBondContact O-CB 3.48Å; P1691-C1706 PolarHBondContact O-N 3.3Å; P1691-F1711 HydrophobicContact CB-CD1 4.18Å; P1691-F1711 HydrophobicContact CB-CE1 4.12Å; P1691-F1711 HydrophobicContact CG-CE1 4.39Å |
| 1692 | Y | 90.7 | Very high | 86.7 | Confident | 66 Ų | 66 | 54.6 Ų | 54.6 | 26% | 0.259 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 160.4 | 178 | 66.9 | -82.9 | 0 | 0 | 0 | 109.4 | A1686 Q1690 F1694 K1703 Q1704 | A1686-Y1692 HydrophobicContact CB-CD2 3.68Å; A1686-Y1692 HydrophobicContact CB-CE2 3.24Å; A1686-Y1692 HydrophobicContact CB-CG 4.49Å; Q1690-Y1692 HydrophobicContact CB-CD1 4.14Å; Q1690-Y1692 HydrophobicContact CB-CE1 4.04Å; Q1690-Y1692 WeakPolarHBondContact CB-O 3.29Å; Q1690-Y1692 HydrophobicContact CG-CE1 4.41Å; Q1690-Y1692 PolarHBondContact O-N 2.95Å; Q1690-Y1692 VanDerWaalsContact O-N 3.12Å; Y1692-F1694 HydrophobicContact CD2-CE2 4.46Å; Y1692-F1694 AromaticContact CE2-CE2 3.94Å; Y1692-F1694 HydrophobicContact CE2-CE2 3.94Å; Y1692-F1694 AromaticContact CE2-CZ 3.97Å; Y1692-F1694 HydrophobicContact CE2-CZ 3.97Å; Y1692-K1703 HydrophobicContact CD2-CD 4.17Å; Y1692-K1703 HydrophobicContact CD2-CG 3.69Å; Y1692-K1703 HydrophobicContact CE2-CD 4.49Å; Y1692-K1703 HydrophobicContact CE2-CG 4.26Å; Y1692-K1703 HydrophobicContact CG-CG 4.45Å; Y1692-Q1704 CarbonylContact C-O 3.58Å; Y1692-Q1704 WeakPolarHBondContact CA-O 3.42Å; Y1692-Q1704 VanDerWaalsContact CB-O 3.26Å; Y1692-Q1704 WeakPolarHBondContact CB-O 3.46Å |
| 1693 | Y | 93.1 | Very high | 86.8 | Confident | 43 Ų | 43 | 59.7 Ų | 59.7 | 17% | 0.169 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | -179.8 | 177.6 | 63 | -83.5 | 0 | 0 | 0 | 110.4 | N1683 W1684 A1695 K1703 Q1704 Y1712 | N1683-Y1693 HydrophobicContact CB-CD2 3.74Å; N1683-Y1693 HydrophobicContact CB-CE2 3.94Å; N1683-Y1693 VanDerWaalsContact CG-CE2 3.43Å; N1683-Y1693 WeakPolarHBondContact OD1-CE2 3.05Å; W1684-Y1693 WeakPolarHBondContact O-CB 3.42Å; Y1693-A1695 HydrophobicContact CE2-CB 4.42Å; Y1693-K1703 WeakPolarHBondContact O-CA 3.18Å; Y1693-Q1704 HydrophobicContact CD1-CB 4.03Å; Y1693-Q1704 WeakPolarHBondContact CD1-O 3.16Å; Y1693-Q1704 HydrophobicContact CD2-CB 4Å; Y1693-Q1704 HydrophobicContact CE1-CB 3.57Å; Y1693-Q1704 HydrophobicContact CE2-CB 3.55Å; Y1693-Q1704 HydrophobicContact CE2-CG 3.91Å; Y1693-Q1704 HydrophobicContact CG-CB 4.23Å; Y1693-Q1704 PolarHBondContact N-O 3.48Å; Y1693-Q1704 PolarHBondContact O-N 3.28Å; Y1693-Y1712 AromaticContact CD1-CD2 3.69Å; Y1693-Y1712 HydrophobicContact CD1-CD2 3.69Å; Y1693-Y1712 HydrophobicContact CD1-CE2 4.38Å; Y1693-Y1712 HydrophobicContact CD1-CG 4.24Å; Y1693-Y1712 HydrophobicContact CD2-CD2 4.32Å; Y1693-Y1712 HydrophobicContact CD2-CE2 4.26Å; Y1693-Y1712 HydrophobicContact CE1-CD2 4.46Å; Y1693-Y1712 AromaticContact CG-CD2 3.61Å; Y1693-Y1712 HydrophobicContact CG-CD2 3.61Å; Y1693-Y1712 AromaticContact CG-CE2 3.99Å; Y1693-Y1712 HydrophobicContact CG-CE2 3.99Å; Y1693-Y1712 HydrophobicContact CG-CG 4.07Å |
| 1694 | F | 93.8 | Very high | 86.4 | Confident | 33 Ų | 33 | 60.9 Ų | 60.9 | 15% | 0.145 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 118.4 | 173.1 | -66 | -82.4 | 0 | 0 | 0 | 109.7 | F1674 W1684 A1686 Y1692 F1702 K1703 | F1674-F1694 HydrophobicContact CB-CB 3.78Å; F1674-F1694 HydrophobicContact CB-CD1 3.41Å; F1674-F1694 VanDerWaalsContact CB-CD1 3.41Å; F1674-F1694 HydrophobicContact CB-CD2 3.46Å; F1674-F1694 VanDerWaalsContact CB-CD2 3.46Å; F1674-F1694 HydrophobicContact CB-CE1 3.72Å; F1674-F1694 HydrophobicContact CB-CE2 3.76Å; F1674-F1694 HydrophobicContact CB-CG 3.26Å; F1674-F1694 HydrophobicContact CB-CZ 3.88Å; F1674-F1694 HydrophobicContact CD1-CB 3.47Å; F1674-F1694 VanDerWaalsContact CD1-CB 3.47Å; F1674-F1694 HydrophobicContact CD1-CD2 4.31Å; F1674-F1694 AromaticContact CD1-CG 3.96Å; F1674-F1694 HydrophobicContact CD1-CG 3.96Å; F1674-F1694 HydrophobicContact CD2-CB 4.13Å; F1674-F1694 AromaticContact CD2-CD2 3.43Å; F1674-F1694 HydrophobicContact CD2-CD2 3.43Å; F1674-F1694 VanDerWaalsContact CD2-CD2 3.43Å; F1674-F1694 AromaticContact CD2-CE2 3.97Å; F1674-F1694 HydrophobicContact CD2-CE2 3.97Å; F1674-F1694 AromaticContact CD2-CG 3.92Å; F1674-F1694 HydrophobicContact CD2-CG 3.92Å; F1674-F1694 HydrophobicContact CE1-CB 4.11Å; F1674-F1694 HydrophobicContact CE2-CD2 4.29Å; F1674-F1694 HydrophobicContact CG-CB 3.51Å; F1674-F1694 HydrophobicContact CG-CD1 4.12Å; F1674-F1694 AromaticContact CG-CD2 3.46Å; F1674-F1694 HydrophobicContact CG-CD2 3.46Å; F1674-F1694 VanDerWaalsContact CG-CD2 3.46Å; F1674-F1694 HydrophobicContact CG-CE2 4.14Å; F1674-F1694 AromaticContact CG-CG 3.44Å; F1674-F1694 HydrophobicContact CG-CG 3.44Å; F1674-F1694 VanDerWaalsContact CG-CG 3.44Å; W1684-F1694 PolarHBondContact N-O 3.49Å; W1684-F1694 PolarHBondContact O-N 3.15Å; A1686-F1694 HydrophobicContact CB-CD2 3.74Å; A1686-F1694 HydrophobicContact CB-CE2 3.43Å; A1686-F1694 VanDerWaalsContact CB-CE2 3.43Å; A1686-F1694 HydrophobicContact CB-CZ 4.5Å; Y1692-F1694 HydrophobicContact CD2-CE2 4.46Å; Y1692-F1694 AromaticContact CE2-CE2 3.94Å; Y1692-F1694 HydrophobicContact CE2-CE2 3.94Å; Y1692-F1694 AromaticContact CE2-CZ 3.97Å; Y1692-F1694 HydrophobicContact CE2-CZ 3.97Å; F1694-F1702 CarbonylContact C-O 3.52Å; F1694-F1702 VanDerWaalsContact CA-O 3.31Å; F1694-F1702 WeakPolarHBondContact CA-O 3.32Å; F1694-K1703 HydrophobicContact CD1-CB 3.96Å; F1694-K1703 HydrophobicContact CD1-CG 4.42Å; F1694-K1703 HydrophobicContact CE1-CB 3.7Å; F1694-K1703 HydrophobicContact CE1-CG 3.95Å; F1694-K1703 HydrophobicContact CZ-CG 4.41Å |
| 1695 | A | 91.5 | Very high | 86.4 | Confident | 13 Ų | 13 | 61.6 Ų | 61.6 | 11% | 0.107 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 125 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | Y1693 S1701 F1702 Q1704 | Y1693-A1695 HydrophobicContact CE2-CB 4.42Å; A1695-S1701 WeakPolarHBondContact O-CA 3.44Å; A1695-F1702 HydrophobicContact CB-CB 4.49Å; A1695-F1702 PolarHBondContact N-O 2.92Å; A1695-F1702 PolarHBondContact O-N 2.79Å; A1695-Q1704 HydrophobicContact CB-CG 4.24Å |
| 1696 | C | 93.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 129.6 | 166.5 | -68.1 | 0 | 0 | 0 | 0 | 109.5 | C1676 D1681 G1682 F1700 | C1676-C1696 HydrophobicContact CB-CB 3.85Å; C1676-C1696 WeakPolarHBondContact CB-SG 3.23Å; C1676-C1696 WeakPolarHBondContact SG-CA 3.45Å; C1676-C1696 WeakPolarHBondContact SG-CB 3.4Å; C1676-C1696 CovalentContact SG-SG 2.04Å; C1676-C1696 PolarHBondContact SG-SG 3.32Å; D1681-C1696 CarbonylContact C-O 3.56Å; D1681-C1696 WeakPolarHBondContact CA-O 3.21Å; D1681-C1696 WeakPolarHBondContact CB-O 3.07Å; G1682-C1696 PolarHBondContact N-O 3.23Å; G1682-C1696 PolarHBondContact O-N 2.04Å; C1696-F1700 VanDerWaalsContact CA-O 3.31Å; C1696-F1700 WeakPolarHBondContact CA-O 3.02Å |
| 1697 | V | 85 | Confident | 86.8 | Confident | 85 Ų | 85 | 63.6 Ų | 63.6 | 52% | 0.515 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 125.4 | 170.2 | -173.9 | 0 | 0 | 0 | 0 | 108.7 | D1681 G1699 F1700 F1702 | D1681-V1697 WeakPolarHBondContact OD1-CA 3.5Å; V1697-G1699 PolarHBondContact O-N 3.23Å; V1697-G1699 VanDerWaalsContact O-N 3.09Å; V1697-F1700 PolarHBondContact N-O 2.93Å; V1697-F1700 PolarHBondContact O-N 3.36Å; V1697-F1702 HydrophobicContact CB-CE2 4.15Å |
| 1698 | G | 83.2 | Confident | 86.7 | Confident | 58 Ų | 58 | 66.6 Ų | 66.6 | 60% | 0.598 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 17.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | D1681 | D1681-G1698 PolarHBondContact OD1-N 2.78Å; D1681-G1698 PolarHBondContact OD2-N 3.1Å |
| 1699 | G | 83.1 | Confident | 86.6 | Confident | 38 Ų | 38 | 65.9 Ų | 65.9 | 39% | 0.392 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | 7.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | C1676 D1681 V1697 | C1676-G1699 WeakPolarHBondContact CB-O 3.04Å; D1681-G1699 PolarHBondContact OD1-N 3.13Å; V1697-G1699 PolarHBondContact O-N 3.23Å; V1697-G1699 VanDerWaalsContact O-N 3.09Å |
| 1700 | F | 77.9 | Confident | 86.9 | Confident | 149 Ų | 149 | 65.9 Ų | 65.9 | 65% | 0.654 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 151.5 | 170 | -63.1 | -89.7 | 0 | 0 | 0 | 111.2 | C1676 C1696 V1697 F1702 | C1676-F1700 PolarHBondContact SG-O 3.44Å; C1696-F1700 VanDerWaalsContact CA-O 3.31Å; C1696-F1700 WeakPolarHBondContact CA-O 3.02Å; V1697-F1700 PolarHBondContact N-O 2.93Å; V1697-F1700 PolarHBondContact O-N 3.36Å; F1700-F1702 HydrophobicContact CB-CE2 3.98Å; F1700-F1702 HydrophobicContact CB-CZ 4.24Å |
| 1701 | S | 82.1 | Confident | 87 | Confident | 38 Ų | 38 | 64.6 Ų | 64.6 | 27% | 0.266 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 124.1 | -175.1 | 69 | 0 | 0 | 0 | 0 | 113.4 | F1674 C1676 A1695 | F1674-S1701 WeakPolarHBondContact O-CB 3.2Å; F1674-S1701 PolarHBondContact O-OG 2.8Å; C1676-S1701 VanDerWaalsContact SG-CB 3.56Å; A1695-S1701 WeakPolarHBondContact O-CA 3.44Å |
| 1702 | F | 85.9 | Confident | 87.1 | Confident | 105 Ų | 105 | 62.1 Ų | 62.1 | 46% | 0.461 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 117.8 | 177 | -57.9 | -89.1 | 0 | 0 | 0 | 109.5 | F1694 A1695 V1697 F1700 Q1704 | F1694-F1702 CarbonylContact C-O 3.52Å; F1694-F1702 VanDerWaalsContact CA-O 3.31Å; F1694-F1702 WeakPolarHBondContact CA-O 3.32Å; A1695-F1702 HydrophobicContact CB-CB 4.49Å; A1695-F1702 PolarHBondContact N-O 2.92Å; A1695-F1702 PolarHBondContact O-N 2.79Å; V1697-F1702 HydrophobicContact CB-CE2 4.15Å; F1700-F1702 HydrophobicContact CB-CE2 3.98Å; F1700-F1702 HydrophobicContact CB-CZ 4.24Å; F1702-Q1704 PolarHBondContact O-N 3.25Å |
| 1703 | K | 91.2 | Very high | 87.1 | Confident | 137 Ų | 137 | 59.2 Ų | 59.2 | 60% | 0.596 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73 | 112.5 | 176.1 | -174.6 | -158.9 | 170.7 | -161.2 | 0 | 108.7 | Y1692 Y1693 F1694 | Y1692-K1703 HydrophobicContact CD2-CD 4.17Å; Y1692-K1703 HydrophobicContact CD2-CG 3.69Å; Y1692-K1703 HydrophobicContact CE2-CD 4.49Å; Y1692-K1703 HydrophobicContact CE2-CG 4.26Å; Y1692-K1703 HydrophobicContact CG-CG 4.45Å; Y1693-K1703 WeakPolarHBondContact O-CA 3.18Å; F1694-K1703 HydrophobicContact CD1-CB 3.96Å; F1694-K1703 HydrophobicContact CD1-CG 4.42Å; F1694-K1703 HydrophobicContact CE1-CB 3.7Å; F1694-K1703 HydrophobicContact CE1-CG 3.95Å; F1694-K1703 HydrophobicContact CZ-CG 4.41Å |
| 1704 | Q | 86.1 | Confident | 86.7 | Confident | 77 Ų | 77 | 59.4 Ų | 59.4 | 36% | 0.36 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 121.8 | -179.6 | -69.9 | -62.6 | -19.5 | 0 | 0 | 110.2 | Y1692 Y1693 A1695 F1702 | Y1692-Q1704 CarbonylContact C-O 3.58Å; Y1692-Q1704 WeakPolarHBondContact CA-O 3.42Å; Y1692-Q1704 VanDerWaalsContact CB-O 3.26Å; Y1692-Q1704 WeakPolarHBondContact CB-O 3.46Å; Y1693-Q1704 HydrophobicContact CD1-CB 4.03Å; Y1693-Q1704 WeakPolarHBondContact CD1-O 3.16Å; Y1693-Q1704 HydrophobicContact CD2-CB 4Å; Y1693-Q1704 HydrophobicContact CE1-CB 3.57Å; Y1693-Q1704 HydrophobicContact CE2-CB 3.55Å; Y1693-Q1704 HydrophobicContact CE2-CG 3.91Å; Y1693-Q1704 HydrophobicContact CG-CB 4.23Å; Y1693-Q1704 PolarHBondContact N-O 3.48Å; Y1693-Q1704 PolarHBondContact O-N 3.28Å; A1695-Q1704 HydrophobicContact CB-CG 4.24Å; F1702-Q1704 PolarHBondContact O-N 3.25Å |
| 1705 | P | 89.3 | Confident | 86.1 | Confident | 91 Ų | 91 | 60.6 Ų | 60.6 | 59% | 0.591 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 151.1 | 171 | 30.2 | -33.5 | 0 | 0 | 0 | 110.3 | ||
| 1706 | C | 93.2 | Very high | 85.8 | Confident | 15 Ų | 15 | 62.8 Ų | 62.8 | 10% | 0.101 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -82.2 | 153.4 | 163.3 | -78.7 | 0 | 0 | 0 | 0 | 110.5 | P1691 Y1712 C1719 | P1691-C1706 WeakPolarHBondContact O-CB 3.48Å; P1691-C1706 PolarHBondContact O-N 3.3Å; C1706-Y1712 PolarHBondContact SG-N 3.31Å; C1706-Y1712 VanDerWaalsContact SG-N 3.36Å; C1706-C1719 WeakPolarHBondContact CA-SG 3.06Å; C1706-C1719 HydrophobicContact CB-CB 3.53Å; C1706-C1719 WeakPolarHBondContact CB-SG 3.41Å; C1706-C1719 WeakPolarHBondContact SG-CB 3.49Å; C1706-C1719 CovalentContact SG-SG 2.04Å; C1706-C1719 PolarHBondContact SG-SG 2.84Å |
| 1707 | P | 85.1 | Confident | 85.7 | Confident | 88 Ų | 88 | 66.3 Ų | 66.3 | 57% | 0.571 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -50 | 147 | 167 | -27.2 | 35.8 | 0 | 0 | 0 | 111.9 | K1709 T1710 | P1707-K1709 PolarHBondContact O-N 3.32Å; P1707-T1710 WeakPolarHBondContact O-CB 3.47Å; P1707-T1710 PolarHBondContact O-N 3.15Å; P1707-T1710 PolarHBondContact O-OG1 2.74Å |
| 1708 | A | 79.5 | Confident | 85.8 | Confident | 91 Ų | 91 | 67.7 Ų | 67.7 | 75% | 0.752 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.2 | 137 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | T1710 | A1708-T1710 PolarHBondContact O-N 2.65Š|
| 1709 | K | 76 | Confident | 86.2 | Confident | 115 Ų | 115 | 66.8 Ų | 66.8 | 50% | 0.5 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | -1.9 | -178.5 | -55.3 | 162.7 | -176.7 | 160.9 | 0 | 115.5 | L198 E203 P1707 F1711 | L198-K1709 HydrophobicContact CD1-CD 3.93Å; E203-K1709 IonicContact OE1-NZ 3.71Å; E203-K1709 PolarHBondContact OE1-NZ 2.85Å; E203-K1709 IonicContact OE2-NZ 3.63Å; E203-K1709 PolarHBondContact OE2-NZ 2.96Å; P1707-K1709 PolarHBondContact O-N 3.32Å; K1709-F1711 WeakPolarHBondContact O-CE2 3.3Å |
| 1710 | T | 88.2 | Confident | 86.4 | Confident | 13 Ų | 13 | 67 Ų | 67 | 8% | 0.08 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 162.1 | 170.9 | 73.6 | 0 | 0 | 0 | 0 | 112.3 | P1707 A1708 C1719 F1721 | P1707-T1710 WeakPolarHBondContact O-CB 3.47Å; P1707-T1710 PolarHBondContact O-N 3.15Å; P1707-T1710 PolarHBondContact O-OG1 2.74Å; A1708-T1710 PolarHBondContact O-N 2.65Å; T1710-C1719 WeakPolarHBondContact OG1-CB 3.41Å; T1710-F1721 HydrophobicContact CG2-CD1 4.06Å; T1710-F1721 HydrophobicContact CG2-CE1 3.9Å; T1710-F1721 HydrophobicContact CG2-CE2 4.47Å; T1710-F1721 HydrophobicContact CG2-CG 4.43Å; T1710-F1721 HydrophobicContact CG2-CZ 4.11Å |
| 1711 | F | 90 | Very high | 86.7 | Confident | 38 Ų | 38 | 65.3 Ų | 65.3 | 17% | 0.167 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 148.4 | -174.2 | -67.5 | -100.8 | 0 | 0 | 0 | 109.1 | C1689 Q1690 P1691 K1709 D1713 C1719 N1720 K1722 I1725 | C1689-F1711 VanDerWaalsContact O-CD1 3.26Å; C1689-F1711 WeakPolarHBondContact O-CD1 3.27Å; Q1690-F1711 CarbonylContact O-C 3.49Å; Q1690-F1711 WeakPolarHBondContact O-CA 3.31Å; P1691-F1711 HydrophobicContact CB-CD1 4.18Å; P1691-F1711 HydrophobicContact CB-CE1 4.12Å; P1691-F1711 HydrophobicContact CG-CE1 4.39Å; K1709-F1711 WeakPolarHBondContact O-CE2 3.3Å; F1711-D1713 PolarHBondContact O-N 2.03Å; F1711-C1719 CarbonylContact O-C 3.59Å; F1711-C1719 WeakPolarHBondContact O-CA 3.23Å; F1711-N1720 PolarHBondContact N-O 2.89Å; F1711-N1720 PolarHBondContact O-N 3.15Å; F1711-N1720 VanDerWaalsContact O-O 3.06Å; F1711-K1722 HydrophobicContact CD2-CB 3.63Å; F1711-K1722 HydrophobicContact CD2-CD 4.27Å; F1711-K1722 HydrophobicContact CD2-CG 4.1Å; F1711-K1722 HydrophobicContact CE1-CD 4.29Å; F1711-K1722 HydrophobicContact CE2-CB 3.87Å; F1711-K1722 HydrophobicContact CE2-CD 3.89Å; F1711-K1722 HydrophobicContact CE2-CG 4.22Å; F1711-K1722 HydrophobicContact CG-CB 4.28Å; F1711-K1722 HydrophobicContact CG-CG 4.37Å; F1711-K1722 HydrophobicContact CZ-CD 3.91Å; F1711-I1725 HydrophobicContact CB-CD1 3.74Å; F1711-I1725 VanDerWaalsContact O-CD1 3.26Å; F1711-I1725 WeakPolarHBondContact O-CD1 3.4Å |
| 1712 | Y | 91.2 | Very high | 86.6 | Confident | 11 Ų | 11 | 68.8 Ų | 68.8 | 4% | 0.043 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 117.2 | -176.8 | 178.6 | -101.2 | 0 | 0 | 0 | 111.5 | N1683 A1685 Q1690 Y1693 C1706 S1714 D1717 | N1683-Y1712 HydrophobicContact CB-CE2 3.93Å; N1683-Y1712 VanDerWaalsContact CB-OH 3.31Å; N1683-Y1712 WeakPolarHBondContact CB-OH 3.26Å; N1683-Y1712 PolarHBondContact O-OH 3.48Å; N1683-Y1712 VanDerWaalsContact O-OH 3.06Å; A1685-Y1712 HydrophobicContact CB-CD1 3.65Å; A1685-Y1712 HydrophobicContact CB-CE1 3.82Å; Q1690-Y1712 PolarHBondContact O-N 3.24Å; Y1693-Y1712 AromaticContact CD1-CD2 3.69Å; Y1693-Y1712 HydrophobicContact CD1-CD2 3.69Å; Y1693-Y1712 HydrophobicContact CD1-CE2 4.38Å; Y1693-Y1712 HydrophobicContact CD1-CG 4.24Å; Y1693-Y1712 HydrophobicContact CD2-CD2 4.32Å; Y1693-Y1712 HydrophobicContact CD2-CE2 4.26Å; Y1693-Y1712 HydrophobicContact CE1-CD2 4.46Å; Y1693-Y1712 AromaticContact CG-CD2 3.61Å; Y1693-Y1712 HydrophobicContact CG-CD2 3.61Å; Y1693-Y1712 AromaticContact CG-CE2 3.99Å; Y1693-Y1712 HydrophobicContact CG-CE2 3.99Å; Y1693-Y1712 HydrophobicContact CG-CG 4.07Å; C1706-Y1712 PolarHBondContact SG-N 3.31Å; C1706-Y1712 VanDerWaalsContact SG-N 3.36Å; Y1712-S1714 PolarHBondContact O-N 3.17Å; Y1712-D1717 PolarHBondContact OH-OD1 2.99Å |
| 1713 | D | 91.1 | Very high | 86.2 | Confident | 6 Ų | 6 | 72.6 Ų | 72.6 | 3% | 0.032 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 104.5 | 172.4 | -160.6 | -11.4 | 0 | 0 | 0 | 110.8 | F1711 V1715 T1716 D1717 Q1718 N1720 I1725 | F1711-D1713 PolarHBondContact O-N 2.03Å; D1713-V1715 PolarHBondContact O-N 3.07Å; D1713-V1715 WeakPolarHBondContact OD1-CA 3.05Å; D1713-V1715 WeakPolarHBondContact OD1-CB 3.38Å; D1713-V1715 VanDerWaalsContact OD1-CG2 3.27Å; D1713-V1715 WeakPolarHBondContact OD1-CG2 3.43Å; D1713-V1715 PolarHBondContact OD1-N 3.18Å; D1713-T1716 PolarHBondContact O-N 3.35Å; D1713-T1716 VanDerWaalsContact O-N 3.13Å; D1713-D1717 PolarHBondContact O-N 2.64Å; D1713-Q1718 PolarHBondContact N-O 2.82Å; D1713-N1720 HydrophobicContact CB-CB 4.41Å; D1713-I1725 HydrophobicContact CB-CD1 3.85Å; D1713-I1725 HydrophobicContact CB-CG1 3.76Å; D1713-I1725 HydrophobicContact CB-CG2 4.28Å |
| 1714 | S | 85.1 | Confident | 85.5 | Confident | 47 Ų | 47 | 72.1 Ų | 72.1 | 33% | 0.329 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -4.6 | 168.9 | 63.6 | 0 | 0 | 0 | 0 | 114.1 | Y1712 Q1727 | Y1712-S1714 PolarHBondContact O-N 3.17Å; S1714-Q1727 PolarHBondContact OG-NE2 2.99Å; S1714-Q1727 PolarHBondContact OG-OE1 3.13Å |
| 1715 | V | 81 | Confident | 85.2 | Confident | 58 Ų | 58 | 68.6 Ų | 68.6 | 35% | 0.352 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -34.8 | 173.7 | -177.1 | 0 | 0 | 0 | 0 | 113.3 | D1713 P1741 | D1713-V1715 PolarHBondContact O-N 3.07Å; D1713-V1715 WeakPolarHBondContact OD1-CA 3.05Å; D1713-V1715 WeakPolarHBondContact OD1-CB 3.38Å; D1713-V1715 VanDerWaalsContact OD1-CG2 3.27Å; D1713-V1715 WeakPolarHBondContact OD1-CG2 3.43Å; D1713-V1715 PolarHBondContact OD1-N 3.18Å; V1715-P1741 VanDerWaalsContact CA-CG 3.43Å; V1715-P1741 HydrophobicContact CB-CG 4.15Å; V1715-P1741 HydrophobicContact CG1-CB 4.37Å; V1715-P1741 HydrophobicContact CG1-CG 3.96Å; V1715-P1741 WeakPolarHBondContact O-CB 3.36Å; V1715-P1741 WeakPolarHBondContact O-CG 3.23Å |
| 1716 | T | 85.6 | Confident | 84.5 | Confident | 59 Ų | 59 | 74.5 Ų | 74.5 | 36% | 0.362 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | -7.7 | -177.4 | 55.8 | 0 | 0 | 0 | 0 | 114 | D1713 Q1718 | D1713-T1716 PolarHBondContact O-N 3.35Å; D1713-T1716 VanDerWaalsContact O-N 3.13Å; T1716-Q1718 VanDerWaalsContact C-N 3.26Å |
| 1717 | D | 91 | Very high | 83.4 | Confident | 74 Ų | 74 | 77.2 Ų | 77.2 | 40% | 0.396 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 44.2 | -171.2 | -160.5 | -21 | 0 | 0 | 0 | 111.4 | N1683 Y1712 D1713 | N1683-D1717 WeakPolarHBondContact CB-OD1 3.03Å; N1683-D1717 PolarHBondContact ND2-OD1 2.83Å; Y1712-D1717 PolarHBondContact OH-OD1 2.99Å; D1713-D1717 PolarHBondContact O-N 2.64Å |
| 1718 | Q | 85.8 | Confident | 83 | Confident | 114 Ų | 114 | 74.8 Ų | 74.8 | 53% | 0.533 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 149.4 | -178.2 | -68.6 | -178.6 | -26.1 | 0 | 0 | 109.6 | D1713 T1716 | D1713-Q1718 PolarHBondContact N-O 2.82Å; T1716-Q1718 VanDerWaalsContact C-N 3.26Å |
| 1719 | C | 92 | Very high | 82.1 | Confident | 38 Ų | 38 | 73.9 Ų | 73.9 | 26% | 0.257 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 123.7 | 167.5 | -65.7 | 0 | 0 | 0 | 0 | 109.9 | C1706 T1710 F1711 | C1706-C1719 WeakPolarHBondContact CA-SG 3.06Å; C1706-C1719 HydrophobicContact CB-CB 3.53Å; C1706-C1719 WeakPolarHBondContact CB-SG 3.41Å; C1706-C1719 WeakPolarHBondContact SG-CB 3.49Å; C1706-C1719 CovalentContact SG-SG 2.04Å; C1706-C1719 PolarHBondContact SG-SG 2.84Å; T1710-C1719 WeakPolarHBondContact OG1-CB 3.41Å; F1711-C1719 CarbonylContact O-C 3.59Å; F1711-C1719 WeakPolarHBondContact O-CA 3.23Å |
| 1720 | N | 86.7 | Confident | 80.7 | Confident | 42 Ų | 42 | 73 Ų | 73 | 23% | 0.225 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 159.5 | -171.6 | -163.7 | -15.6 | 0 | 0 | 0 | 110 | F1711 D1713 K1722 F1724 I1725 | F1711-N1720 PolarHBondContact N-O 2.89Å; F1711-N1720 PolarHBondContact O-N 3.15Å; F1711-N1720 VanDerWaalsContact O-O 3.06Å; D1713-N1720 HydrophobicContact CB-CB 4.41Å; N1720-K1722 PolarHBondContact O-N 2.78Å; N1720-F1724 WeakPolarHBondContact OD1-CD2 3.05Å; N1720-I1725 HydrophobicContact CB-CD1 4.44Å; N1720-I1725 HydrophobicContact CB-CG1 4.22Å |
| 1721 | F | 84.3 | Confident | 78.4 | Confident | 114 Ų | 114 | 78 Ų | 78 | 50% | 0.5 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 137.7 | 178.4 | -62.9 | -79.6 | 0 | 0 | 0 | 111.2 | T1710 F1723 F1724 | T1710-F1721 HydrophobicContact CG2-CD1 4.06Å; T1710-F1721 HydrophobicContact CG2-CE1 3.9Å; T1710-F1721 HydrophobicContact CG2-CE2 4.47Å; T1710-F1721 HydrophobicContact CG2-CG 4.43Å; T1710-F1721 HydrophobicContact CG2-CZ 4.11Å; F1721-F1723 PolarHBondContact O-N 2.72Å; F1721-F1724 HydrophobicContact CB-CD2 3.93Å; F1721-F1724 HydrophobicContact CB-CE2 4.19Å; F1721-F1724 HydrophobicContact CD2-CD2 4.42Å; F1721-F1724 HydrophobicContact CD2-CE2 4.2Å; F1721-F1724 PolarHBondContact O-N 3.18Å |
| 1722 | K | 80 | Confident | 75.8 | Confident | 112 Ų | 112 | 79.5 Ų | 79.5 | 49% | 0.487 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.4 | -28.8 | -174.8 | -161 | 175 | -174.2 | 170.9 | 0 | 114.8 | F1711 N1720 C1728 | F1711-K1722 HydrophobicContact CD2-CB 3.63Å; F1711-K1722 HydrophobicContact CD2-CD 4.27Å; F1711-K1722 HydrophobicContact CD2-CG 4.1Å; F1711-K1722 HydrophobicContact CE1-CD 4.29Å; F1711-K1722 HydrophobicContact CE2-CB 3.87Å; F1711-K1722 HydrophobicContact CE2-CD 3.89Å; F1711-K1722 HydrophobicContact CE2-CG 4.22Å; F1711-K1722 HydrophobicContact CG-CB 4.28Å; F1711-K1722 HydrophobicContact CG-CG 4.37Å; F1711-K1722 HydrophobicContact CZ-CD 3.91Å; N1720-K1722 PolarHBondContact O-N 2.78Å; K1722-C1728 HydrophobicContact CG-CB 3.72Å; K1722-C1728 VanDerWaalsContact O-CB 3.3Å; K1722-C1728 WeakPolarHBondContact O-CB 3.07Å; K1722-C1728 PolarHBondContact O-SG 2.88Å; K1722-C1728 VanDerWaalsContact O-SG 3.33Å |
| 1723 | F | 78.4 | Confident | 73.1 | Confident | 184 Ų | 184 | 84.9 Ų | 84.9 | 81% | 0.807 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -38.4 | 179.1 | 179.5 | -100 | 0 | 0 | 0 | 114 | F1721 | F1721-F1723 PolarHBondContact O-N 2.72Š|
| 1724 | F | 75.7 | Confident | 70.3 | Confident | 128 Ų | 128 | 90.8 Ų | 90.8 | 56% | 0.561 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -29.4 | -178.8 | -61.3 | -59.9 | 0 | 0 | 0 | 112.2 | N1720 F1721 R1726 | N1720-F1724 WeakPolarHBondContact OD1-CD2 3.05Å; F1721-F1724 HydrophobicContact CB-CD2 3.93Å; F1721-F1724 HydrophobicContact CB-CE2 4.19Å; F1721-F1724 HydrophobicContact CD2-CD2 4.42Å; F1721-F1724 HydrophobicContact CD2-CE2 4.2Å; F1721-F1724 PolarHBondContact O-N 3.18Å; F1724-R1726 PolarHBondContact O-N 2.82Å; F1724-R1726 VanDerWaalsContact O-N 3.1Å |
| 1725 | I | 80.9 | Confident | 67.9 | Low | 2 Ų | 2 | 92.2 Ų | 92.2 | 1% | 0.01 | 55% | 0.551 | C | S | . | * | S | Bend | trans | -66.1 | 107.9 | 176.9 | -53 | -175.2 | 0 | 0 | 0 | 109.9 | F1711 D1713 N1720 Q1727 C1728 | F1711-I1725 HydrophobicContact CB-CD1 3.74Å; F1711-I1725 VanDerWaalsContact O-CD1 3.26Å; F1711-I1725 WeakPolarHBondContact O-CD1 3.4Å; D1713-I1725 HydrophobicContact CB-CD1 3.85Å; D1713-I1725 HydrophobicContact CB-CG1 3.76Å; D1713-I1725 HydrophobicContact CB-CG2 4.28Å; N1720-I1725 HydrophobicContact CB-CD1 4.44Å; N1720-I1725 HydrophobicContact CB-CG1 4.22Å; I1725-Q1727 HydrophobicContact CG2-CB 4.16Å; I1725-Q1727 PolarHBondContact O-N 2.03Å; I1725-C1728 WeakPolarHBondContact CB-SG 3.47Å; I1725-C1728 WeakPolarHBondContact CG2-SG 3.48Å; I1725-C1728 PolarHBondContact O-N 2.84Å; I1725-C1728 VanDerWaalsContact O-N 3.1Å |
| 1726 | R | 73.3 | Confident | 65.5 | Low | 216 Ų | 216 | 94.1 Ų | 94.1 | 82% | 0.815 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.5 | -26.5 | -178.4 | -76.8 | -70.2 | -167.8 | -179 | -1.9 | 114.7 | F1724 | F1724-R1726 PolarHBondContact O-N 2.82Å; F1724-R1726 VanDerWaalsContact O-N 3.1Å |
| 1727 | Q | 70.2 | Confident | 63.1 | Low | 72 Ų | 72 | 100.7 Ų | 100.7 | 34% | 0.336 | 60% | 0.596 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.5 | -29.2 | -173 | -57.5 | 176 | 13.4 | 0 | 0 | 112.2 | S1714 I1725 | S1714-Q1727 PolarHBondContact OG-NE2 2.99Å; S1714-Q1727 PolarHBondContact OG-OE1 3.13Å; I1725-Q1727 HydrophobicContact CG2-CB 4.16Å; I1725-Q1727 PolarHBondContact O-N 2.03Å |
| 1728 | C | 77 | Confident | 60.2 | Low | 36 Ų | 36 | 104.2 Ų | 104.2 | 24% | 0.243 | 62% | 0.621 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -79.4 | -28.4 | -174.1 | -39.9 | 0 | 0 | 0 | 0 | 113.4 | C1689 K1722 I1725 S1730 | C1689-C1728 HydrophobicContact CB-CB 3.95Å; C1689-C1728 WeakPolarHBondContact CB-SG 3.4Å; C1689-C1728 WeakPolarHBondContact SG-CA 3.24Å; C1689-C1728 WeakPolarHBondContact SG-CB 3.34Å; C1689-C1728 PolarHBondContact SG-N 3.29Å; C1689-C1728 CovalentContact SG-SG 2.02Å; C1689-C1728 PolarHBondContact SG-SG 3.39Å; K1722-C1728 HydrophobicContact CG-CB 3.72Å; K1722-C1728 VanDerWaalsContact O-CB 3.3Å; K1722-C1728 WeakPolarHBondContact O-CB 3.07Å; K1722-C1728 PolarHBondContact O-SG 2.88Å; K1722-C1728 VanDerWaalsContact O-SG 3.33Å; I1725-C1728 WeakPolarHBondContact CB-SG 3.47Å; I1725-C1728 WeakPolarHBondContact CG2-SG 3.48Å; I1725-C1728 PolarHBondContact O-N 2.84Å; I1725-C1728 VanDerWaalsContact O-N 3.1Å; C1728-S1730 VanDerWaalsContact C-N 3.29Å; C1728-S1730 PolarHBondContact O-N 2.82Å |
| 1729 | G | 61.7 | Low | 57.4 | Low | 73 Ų | 73 | 110.1 Ų | 110.1 | 75% | 0.753 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | 17.2 | -169.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 1730 | S | 46.2 | Very low | 54.6 | Low | 97 Ų | 97 | 116.9 Ų | 116.9 | 68% | 0.678 | 66% | 0.658 | S | S | * | * | trans | -124.8 | 89.8 | -171.5 | -70.8 | 0 | 0 | 0 | 0 | 114 | C1728 G1732 | C1728-S1730 VanDerWaalsContact C-N 3.29Å; C1728-S1730 PolarHBondContact O-N 2.82Å; S1730-G1732 VanDerWaalsContact C-N 3.35Å; S1730-G1732 PolarHBondContact O-N 2.89Å | ||
| 1731 | A | 38.6 | Very low | 52.1 | Low | 117 Ų | 117 | 116.9 Ų | 116.9 | 97% | 0.967 | 66% | 0.66 | S | S | * | * | trans | -69 | 85.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1732 | G | 35.3 | Very low | 49.8 | Very low | 70 Ų | 70 | 119.3 Ų | 119.3 | 72% | 0.722 | 68% | 0.679 | S | S | * | * | trans | 95.7 | 96.7 | 156.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | S1730 | S1730-G1732 VanDerWaalsContact C-N 3.35Å; S1730-G1732 PolarHBondContact O-N 2.89Å | ||
| 1733 | S | 34.7 | Very low | 48.2 | Very low | 124 Ų | 124 | 117.1 Ų | 117.1 | 87% | 0.867 | 68% | 0.675 | S | S | * | * | -157.2 | 144.4 | 128.7 | 61.8 | 0 | 0 | 0 | 0 | 111.1 | G1735 | S1733-G1735 PolarHBondContact O-N 2.96Š| |||
| 1734 | S | 33.7 | Very low | 47.1 | Very low | 130 Ų | 130 | 110 Ų | 110 | 91% | 0.909 | 65% | 0.647 | S | S | * | * | trans | -82.1 | 109.8 | -174.4 | 37.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1735 | G | 34.8 | Very low | 46.4 | Very low | 77 Ų | 77 | 105.4 Ų | 105.4 | 79% | 0.794 | 63% | 0.63 | S | S | * | * | trans | 79.6 | 99.9 | 147.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | S1733 | S1733-G1735 PolarHBondContact O-N 2.96Š| ||
| 1736 | A | 30.4 | Very low | 46 | Very low | 97 Ų | 97 | 112.8 Ų | 112.8 | 80% | 0.802 | 66% | 0.662 | S | S | * | * | trans | -160.1 | 87.3 | 145.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1737 | K | 34.6 | Very low | 46.4 | Very low | 198 Ų | 198 | 104 Ų | 104 | 86% | 0.861 | 63% | 0.631 | S | S | * | * | trans | 59.7 | 121.4 | 154.7 | -58.6 | -174.4 | 177.5 | -172.6 | 0 | 118.7 | R1739 | K1737-R1739 PolarHBondContact O-N 2.95Š| ||
| 1738 | T | 30.2 | Very low | 47 | Very low | 148 Ų | 148 | 103.6 Ų | 103.6 | 91% | 0.908 | 63% | 0.631 | S | S | * | * | trans | -33.8 | 117.5 | 154.8 | 42.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1739 | R | 27.6 | Very low | 47.6 | Very low | 237 Ų | 237 | 102 Ų | 102 | 89% | 0.894 | 62% | 0.62 | S | S | * | * | trans | -104.3 | 108.4 | 162.3 | -81.3 | -173.8 | 170.1 | -90.3 | 0.7 | 107.4 | K1737 | K1737-R1739 PolarHBondContact O-N 2.95Š| ||
| 1740 | R | 31.6 | Very low | 48.7 | Very low | 180 Ų | 180 | 103.2 Ų | 103.2 | 68% | 0.679 | 61% | 0.613 | S | S | * | * | trans | -53.2 | 140.2 | 176.8 | -132.7 | -174 | -158.5 | -153.9 | 6.4 | 109.9 | T1743 | R1740-T1743 HydrophobicContact CG-CG2 4.47Å; R1740-T1743 PolarHBondContact NH1-OG1 3.23Å | ||
| 1741 | P | 35.1 | Very low | 50.6 | Low | 42 Ų | 42 | 103.9 Ų | 103.9 | 27% | 0.273 | 61% | 0.614 | S | S | . | * | trans | -61.4 | 166 | 150.2 | -9 | 26.7 | 0 | 0 | 0 | 108.7 | V1715 T1743 | V1715-P1741 VanDerWaalsContact CA-CG 3.43Å; V1715-P1741 HydrophobicContact CB-CG 4.15Å; V1715-P1741 HydrophobicContact CG1-CB 4.37Å; V1715-P1741 HydrophobicContact CG1-CG 3.96Å; V1715-P1741 WeakPolarHBondContact O-CB 3.36Å; V1715-P1741 WeakPolarHBondContact O-CG 3.23Å; P1741-T1743 PolarHBondContact O-N 3.17Å | ||
| 1742 | N | 35.1 | Very low | 52.8 | Low | 166 Ų | 166 | 101.2 Ų | 101.2 | 89% | 0.888 | 58% | 0.582 | S | S | * | * | trans | -76.3 | 83.1 | 169.6 | -65 | -20.8 | 0 | 0 | 0 | 108.8 | ||||
| 1743 | T | 47.8 | Very low | 55.2 | Low | 66 Ų | 66 | 101 Ų | 101 | 41% | 0.405 | 57% | 0.573 | S | S | . | * | trans | -44.5 | 131.6 | 160.4 | 48.3 | 0 | 0 | 0 | 0 | 109.1 | R1740 P1741 | R1740-T1743 HydrophobicContact CG-CG2 4.47Å; R1740-T1743 PolarHBondContact NH1-OG1 3.23Å; P1741-T1743 PolarHBondContact O-N 3.17Å | ||
| 1744 | P | 54.4 | Low | 57.8 | Low | 34 Ų | 34 | 99 Ų | 99 | 22% | 0.221 | 55% | 0.553 | C | S | . | * | trans | -43.3 | 136.6 | 171.3 | -33.8 | 38.6 | 0 | 0 | 0 | 112.1 | F1746 Y1767 F1769 | P1744-F1746 PolarHBondContact O-N 3.2Å; P1744-Y1767 HydrophobicContact CB-CD2 4.28Å; P1744-Y1767 HydrophobicContact CB-CE1 4.44Å; P1744-Y1767 HydrophobicContact CB-CE2 3.6Å; P1744-Y1767 HydrophobicContact CG-CD1 4.41Å; P1744-Y1767 HydrophobicContact CG-CD2 4.31Å; P1744-Y1767 HydrophobicContact CG-CE1 4.01Å; P1744-Y1767 HydrophobicContact CG-CE2 3.92Å; P1744-F1769 HydrophobicContact CB-CE1 4.13Å; P1744-F1769 HydrophobicContact CB-CZ 3.89Å | ||
| 1745 | P | 62.3 | Low | 60.5 | Low | 31 Ų | 31 | 94.1 Ų | 94.1 | 20% | 0.201 | 52% | 0.523 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 118.6 | -178.4 | 27.2 | -31.8 | 0 | 0 | 0 | 109.8 | I1747 D1759 Q1761 Y1767 F1769 | P1745-I1747 PolarHBondContact O-N 3.02Å; P1745-D1759 VanDerWaalsContact CG-CG 3.45Å; P1745-D1759 WeakPolarHBondContact CG-OD1 3.32Å; P1745-D1759 WeakPolarHBondContact CG-OD2 3.02Å; P1745-Q1761 HydrophobicContact CB-CG 4.38Å; P1745-Q1761 HydrophobicContact CG-CB 4.4Å; P1745-Q1761 HydrophobicContact CG-CG 4.13Å; P1745-Y1767 WeakPolarHBondContact CD-OH 3.43Å; P1745-F1769 WeakPolarHBondContact O-CZ 3.33Å |
| 1746 | F | 72.2 | Confident | 63.3 | Low | 158 Ų | 158 | 93.2 Ų | 93.2 | 69% | 0.693 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -53.8 | 121.8 | -178.3 | 179.9 | -95 | 0 | 0 | 0 | 112.1 | P1744 N1748 | P1744-F1746 PolarHBondContact O-N 3.2Å; F1746-N1748 HydrophobicContact CE1-CB 4.13Å |
| 1747 | I | 80.5 | Confident | 66.1 | Low | 31 Ų | 31 | 91.8 Ų | 91.8 | 16% | 0.159 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -98.1 | 136.2 | 173 | -146.2 | 173.7 | 0 | 0 | 0 | 108.8 | P1745 C1749 M1752 F1769 T1776 | P1745-I1747 PolarHBondContact O-N 3.02Å; I1747-C1749 PolarHBondContact O-N 2.88Å; I1747-M1752 HydrophobicContact CB-CE 4.22Å; I1747-M1752 HydrophobicContact CD1-CE 3.75Å; I1747-M1752 HydrophobicContact CD1-SD 4.15Å; I1747-M1752 HydrophobicContact CG1-CE 3.57Å; I1747-M1752 HydrophobicContact CG1-SD 4.19Å; I1747-M1752 HydrophobicContact CG2-CE 3.81Å; I1747-F1769 HydrophobicContact CB-CD1 4.4Å; I1747-F1769 HydrophobicContact CB-CD2 4.22Å; I1747-F1769 HydrophobicContact CB-CE2 4.49Å; I1747-F1769 HydrophobicContact CB-CG 4.17Å; I1747-F1769 HydrophobicContact CD1-CD2 4.33Å; I1747-F1769 HydrophobicContact CG2-CB 3.57Å; I1747-F1769 HydrophobicContact CG2-CD1 3.78Å; I1747-F1769 HydrophobicContact CG2-CD2 3.98Å; I1747-F1769 HydrophobicContact CG2-CE1 4.48Å; I1747-F1769 HydrophobicContact CG2-CG 3.5Å; I1747-F1769 VanDerWaalsContact CG2-CG 3.5Å; I1747-T1776 HydrophobicContact CG2-CG2 3.9Å; I1747-T1776 PolarHBondContact O-OG1 3.07Å |
| 1748 | N | 83.9 | Confident | 68.6 | Low | 64 Ų | 64 | 82.9 Ų | 82.9 | 34% | 0.342 | 44% | 0.437 | S | S | . | . | trans | -93.2 | 91.7 | -173 | -175.1 | 52.2 | 0 | 0 | 0 | 112.3 | F1746 T1750 T1751 | F1746-N1748 HydrophobicContact CE1-CB 4.13Å; N1748-T1750 PolarHBondContact ND2-OG1 3.24Å; N1748-T1750 PolarHBondContact O-N 3.45Å; N1748-T1750 PolarHBondContact OD1-OG1 3.23Å; N1748-T1751 PolarHBondContact ND2-OG1 2.78Å; N1748-T1751 VanDerWaalsContact ND2-OG1 3.07Å; N1748-T1751 PolarHBondContact O-N 2.64Å; N1748-T1751 PolarHBondContact O-OG1 2.76Å | ||
| 1749 | C | 89.6 | Confident | 71.3 | Confident | 1 Ų | 1 | 76.3 Ų | 76.3 | 1% | 0.007 | 40% | 0.396 | C | S | . | . | G | 310 helix | trans | -65.2 | -20.5 | -177.5 | -69.5 | 0 | 0 | 0 | 0 | 114.1 | I1747 T1751 M1752 C1771 G1774 S1775 T1776 | I1747-C1749 PolarHBondContact O-N 2.88Å; C1749-T1751 PolarHBondContact O-N 3.34Å; C1749-M1752 PolarHBondContact O-N 2.82Å; C1749-C1771 HydrophobicContact CB-CB 3.6Å; C1749-C1771 WeakPolarHBondContact CB-SG 3.21Å; C1749-C1771 WeakPolarHBondContact SG-CA 3.43Å; C1749-C1771 WeakPolarHBondContact SG-CB 3.14Å; C1749-C1771 CovalentContact SG-SG 2.03Å; C1749-C1771 PolarHBondContact SG-SG 2.99Å; C1749-G1774 CarbonylContact C-O 3.53Å; C1749-G1774 VanDerWaalsContact CB-O 3.23Å; C1749-G1774 WeakPolarHBondContact CB-O 3.43Å; C1749-S1775 VanDerWaalsContact CB-O 3.28Å; C1749-S1775 WeakPolarHBondContact CB-O 3.37Å; C1749-S1775 PolarHBondContact SG-O 2.91Å; C1749-T1776 VanDerWaalsContact CB-OG1 3.25Å; C1749-T1776 WeakPolarHBondContact CB-OG1 3.41Å; C1749-T1776 PolarHBondContact N-OG1 2.87Å; C1749-T1776 PolarHBondContact SG-OG1 3.48Å |
| 1750 | T | 84.2 | Confident | 73.8 | Confident | 100 Ų | 100 | 69 Ų | 69 | 61% | 0.613 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -63 | -5.3 | 175.6 | 80.1 | 0 | 0 | 0 | 0 | 114.5 | N1748 G1774 | N1748-T1750 PolarHBondContact ND2-OG1 3.24Å; N1748-T1750 PolarHBondContact O-N 3.45Å; N1748-T1750 PolarHBondContact OD1-OG1 3.23Å; T1750-G1774 PolarHBondContact N-O 3.16Å |
| 1751 | T | 85.7 | Confident | 76.1 | Confident | 111 Ų | 111 | 68.1 Ų | 68.1 | 68% | 0.681 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -125.5 | 12 | 178.5 | 47.3 | 0 | 0 | 0 | 0 | 113.3 | N1748 C1749 | N1748-T1751 PolarHBondContact ND2-OG1 2.78Å; N1748-T1751 VanDerWaalsContact ND2-OG1 3.07Å; N1748-T1751 PolarHBondContact O-N 2.64Å; N1748-T1751 PolarHBondContact O-OG1 2.76Å; C1749-T1751 PolarHBondContact O-N 3.34Å |
| 1752 | M | 85.3 | Confident | 78.4 | Confident | 61 Ų | 61 | 69.8 Ų | 69.8 | 30% | 0.3 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -127.8 | 166.3 | -178.8 | -59.6 | -169.3 | -59.5 | 0 | 0 | 110.2 | I1747 C1749 Y1757 C1771 | I1747-M1752 HydrophobicContact CB-CE 4.22Å; I1747-M1752 HydrophobicContact CD1-CE 3.75Å; I1747-M1752 HydrophobicContact CD1-SD 4.15Å; I1747-M1752 HydrophobicContact CG1-CE 3.57Å; I1747-M1752 HydrophobicContact CG1-SD 4.19Å; I1747-M1752 HydrophobicContact CG2-CE 3.81Å; C1749-M1752 PolarHBondContact O-N 2.82Å; M1752-Y1757 HydrophobicContact CB-CE2 4.31Å; M1752-Y1757 HydrophobicContact CE-CD2 4.3Å; M1752-Y1757 HydrophobicContact CE-CE2 4.46Å; M1752-Y1757 HydrophobicContact SD-CE1 4.46Å; M1752-C1771 WeakPolarHBondContact CE-SG 3.29Å |
| 1753 | A | 86.5 | Confident | 80.7 | Confident | 64 Ų | 64 | 65.9 Ų | 65.9 | 53% | 0.529 | 38% | 0.376 | S | S | . | . | trans | -77.5 | 169.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y1757 C1771 | A1753-Y1757 PolarHBondContact N-OH 3.26Å; A1753-Y1757 WeakPolarHBondContact O-CE2 3.15Å; A1753-Y1757 PolarHBondContact O-OH 2.67Å; A1753-C1771 VanDerWaalsContact O-CB 3.3Å; A1753-C1771 WeakPolarHBondContact O-CB 3.44Å | ||
| 1754 | N | 89.2 | Confident | 82.6 | Confident | 84 Ų | 84 | 63.8 Ų | 63.8 | 45% | 0.449 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -68.5 | 137.7 | 169.1 | -61.7 | -1.2 | 0 | 0 | 0 | 109.2 | C1771 N1772 N1773 | N1754-C1771 CarbonylContact C-O 3.55Å; N1754-C1771 WeakPolarHBondContact CA-O 3.45Å; N1754-N1772 PolarHBondContact ND2-OD1 3.25Å; N1754-N1773 PolarHBondContact ND2-OD1 3.34Å; N1754-N1773 PolarHBondContact OD1-N 2.94Å |
| 1755 | G | 90.3 | Very high | 84.4 | Confident | 27 Ų | 27 | 62.3 Ų | 62.3 | 28% | 0.278 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 147.1 | -177.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y1757 C1771 | G1755-Y1757 WeakPolarHBondContact O-CD2 3.35Å; G1755-C1771 PolarHBondContact N-O 3.43Å; G1755-C1771 PolarHBondContact O-N 3.3Å |
| 1756 | N | 92.3 | Very high | 85.7 | Confident | 58 Ų | 58 | 64.3 Ų | 64.3 | 31% | 0.31 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 117.8 | -169 | -62.4 | -4.4 | 0 | 0 | 0 | 111.5 | Y1768 F1769 Y1787 | N1756-Y1768 HydrophobicContact CB-CD2 4.03Å; N1756-Y1768 HydrophobicContact CB-CE2 4.27Å; N1756-F1769 CarbonylContact C-O 3.6Å; N1756-F1769 WeakPolarHBondContact CA-O 3.47Å; N1756-Y1787 HydrophobicContact CB-CE2 4.26Å; N1756-Y1787 WeakPolarHBondContact CB-OH 3.5Å; N1756-Y1787 PolarHBondContact O-OH 2.03Å |
| 1757 | Y | 89.7 | Confident | 86.6 | Confident | 67 Ų | 67 | 58 Ų | 58 | 26% | 0.263 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 131.6 | -172.2 | -64.6 | -83 | 0 | 0 | 0 | 112.5 | M1752 A1753 G1755 F1769 C1771 | M1752-Y1757 HydrophobicContact CB-CE2 4.31Å; M1752-Y1757 HydrophobicContact CE-CD2 4.3Å; M1752-Y1757 HydrophobicContact CE-CE2 4.46Å; M1752-Y1757 HydrophobicContact SD-CE1 4.46Å; A1753-Y1757 PolarHBondContact N-OH 3.26Å; A1753-Y1757 WeakPolarHBondContact O-CE2 3.15Å; A1753-Y1757 PolarHBondContact O-OH 2.67Å; G1755-Y1757 WeakPolarHBondContact O-CD2 3.35Å; Y1757-F1769 PolarHBondContact N-O 3.17Å; Y1757-F1769 PolarHBondContact O-N 2.78Å; Y1757-C1771 HydrophobicContact CD2-CB 4.21Å; Y1757-C1771 VanDerWaalsContact CD2-SG 3.55Å; Y1757-C1771 HydrophobicContact CE2-CB 3.9Å; Y1757-C1771 VanDerWaalsContact CE2-SG 3.59Å |
| 1758 | A | 87.9 | Confident | 87.2 | Confident | 11 Ų | 11 | 58.5 Ų | 58.5 | 9% | 0.091 | 34% | 0.335 | C | S | . | . | trans | -70.3 | 159.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1760 Y1787 | A1758-A1760 PolarHBondContact O-N 2.73Å; A1758-A1760 VanDerWaalsContact O-N 3.09Å; A1758-Y1787 HydrophobicContact CB-CD1 3.78Å; A1758-Y1787 HydrophobicContact CB-CE1 4.03Å | ||
| 1759 | D | 86.4 | Confident | 87.6 | Confident | 9 Ų | 9 | 55.6 Ų | 55.6 | 5% | 0.048 | 32% | 0.32 | C | S | . | . | trans | -64.5 | 110 | 166.7 | 177.3 | 8.6 | 0 | 0 | 0 | 110.5 | P1745 Q1761 N1762 N1763 T1765 Y1767 F1769 | P1745-D1759 VanDerWaalsContact CG-CG 3.45Å; P1745-D1759 WeakPolarHBondContact CG-OD1 3.32Å; P1745-D1759 WeakPolarHBondContact CG-OD2 3.02Å; D1759-Q1761 PolarHBondContact O-N 3.22Å; D1759-Q1761 VanDerWaalsContact O-N 3.14Å; D1759-Q1761 WeakPolarHBondContact OD1-CA 3.32Å; D1759-Q1761 VanDerWaalsContact OD1-CB 3.32Å; D1759-Q1761 WeakPolarHBondContact OD1-CB 3.33Å; D1759-Q1761 PolarHBondContact OD1-N 2.94Å; D1759-N1762 CarbonylContact O-C 3.36Å; D1759-N1762 PolarHBondContact O-N 2.89Å; D1759-N1762 PolarHBondContact OD2-N 2.94Å; D1759-N1763 PolarHBondContact O-N 2.94Å; D1759-T1765 HydrophobicContact CB-CG2 3.86Å; D1759-Y1767 HydrophobicContact CB-CE2 4.14Å; D1759-Y1767 PolarHBondContact OD2-OH 3.36Å; D1759-F1769 HydrophobicContact CB-CE2 4.12Å | ||
| 1760 | A | 80.5 | Confident | 87.7 | Confident | 84 Ų | 84 | 57 Ų | 57 | 69% | 0.694 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -8.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | A1758 | A1758-A1760 PolarHBondContact O-N 2.73Å; A1758-A1760 VanDerWaalsContact O-N 3.09Å |
| 1761 | Q | 78.2 | Confident | 88.1 | Confident | 161 Ų | 161 | 52.3 Ų | 52.3 | 75% | 0.752 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | -22.8 | 172.3 | -49.5 | -170.8 | 23.3 | 0 | 0 | 112.1 | P1745 D1759 | P1745-Q1761 HydrophobicContact CB-CG 4.38Å; P1745-Q1761 HydrophobicContact CG-CB 4.4Å; P1745-Q1761 HydrophobicContact CG-CG 4.13Å; D1759-Q1761 PolarHBondContact O-N 3.22Å; D1759-Q1761 VanDerWaalsContact O-N 3.14Å; D1759-Q1761 WeakPolarHBondContact OD1-CA 3.32Å; D1759-Q1761 VanDerWaalsContact OD1-CB 3.32Å; D1759-Q1761 WeakPolarHBondContact OD1-CB 3.33Å; D1759-Q1761 PolarHBondContact OD1-N 2.94Å |
| 1762 | N | 84.6 | Confident | 88.3 | Confident | 77 Ų | 77 | 51.4 Ų | 51.4 | 41% | 0.412 | 29% | 0.29 | S | S | . | . | trans | -151.9 | 90.9 | 178.5 | 175.7 | 39 | 0 | 0 | 0 | 111.1 | D1759 C1764 T1765 | D1759-N1762 CarbonylContact O-C 3.36Å; D1759-N1762 PolarHBondContact O-N 2.89Å; D1759-N1762 PolarHBondContact OD2-N 2.94Å; N1762-C1764 PolarHBondContact ND2-O 3.25Å; N1762-C1764 PolarHBondContact O-N 3.03Å; N1762-C1764 PolarHBondContact OD1-N 2.9Å; N1762-T1765 HydrophobicContact CB-CG2 4.38Å; N1762-T1765 WeakPolarHBondContact ND2-CG2 3.09Å; N1762-T1765 WeakPolarHBondContact O-CG2 3.25Å | ||
| 1763 | N | 82.4 | Confident | 88.3 | Confident | 85 Ų | 85 | 55 Ų | 55 | 46% | 0.455 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -65.3 | 15.4 | 175.8 | -58.4 | 65.3 | 0 | 0 | 0 | 114.8 | D1759 G1802 | D1759-N1763 PolarHBondContact O-N 2.94Å; N1763-G1802 WeakPolarHBondContact O-CA 3.2Å |
| 1764 | C | 89.2 | Confident | 88.3 | Confident | 22 Ų | 22 | 53 Ų | 53 | 15% | 0.149 | 30% | 0.296 | C | S | . | . | trans | -127.8 | 73.1 | 172.2 | -173.1 | 0 | 0 | 0 | 0 | 110.1 | N1762 C1803 | N1762-C1764 PolarHBondContact ND2-O 3.25Å; N1762-C1764 PolarHBondContact O-N 3.03Å; N1762-C1764 PolarHBondContact OD1-N 2.9Å; C1764-C1803 WeakPolarHBondContact CA-SG 3.44Å; C1764-C1803 HydrophobicContact CB-CB 3.91Å; C1764-C1803 WeakPolarHBondContact CB-SG 3.48Å; C1764-C1803 WeakPolarHBondContact SG-CA 3.19Å; C1764-C1803 WeakPolarHBondContact SG-CB 3.38Å; C1764-C1803 CovalentContact SG-SG 2.04Å; C1764-C1803 PolarHBondContact SG-SG 3.13Å | ||
| 1765 | T | 91.1 | Very high | 87.9 | Confident | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.018 | 30% | 0.303 | C | S | . | . | trans | -115.8 | 144.3 | 176.8 | 43.6 | 0 | 0 | 0 | 0 | 110.9 | D1759 N1762 Y1767 F1786 Y1787 | D1759-T1765 HydrophobicContact CB-CG2 3.86Å; N1762-T1765 HydrophobicContact CB-CG2 4.38Å; N1762-T1765 WeakPolarHBondContact ND2-CG2 3.09Å; N1762-T1765 WeakPolarHBondContact O-CG2 3.25Å; T1765-Y1767 VanDerWaalsContact CB-O 3.29Å; T1765-Y1767 WeakPolarHBondContact CB-O 3.28Å; T1765-Y1767 HydrophobicContact CG2-CD1 3.97Å; T1765-Y1767 HydrophobicContact CG2-CD2 4.39Å; T1765-Y1767 HydrophobicContact CG2-CE1 3.41Å; T1765-Y1767 VanDerWaalsContact CG2-CE1 3.41Å; T1765-Y1767 HydrophobicContact CG2-CE2 3.87Å; T1765-Y1767 HydrophobicContact CG2-CG 4.43Å; T1765-Y1767 PolarHBondContact O-N 2.89Å; T1765-Y1767 PolarHBondContact OG1-O 2.84Å; T1765-F1786 VanDerWaalsContact C-CD1 3.47Å; T1765-F1786 CarbonylContact O-C 3.45Å; T1765-F1786 WeakPolarHBondContact O-CA 3.32Å; T1765-Y1787 PolarHBondContact O-N 3.24Å | ||
| 1766 | N | 90 | Very high | 87.6 | Confident | 73 Ų | 73 | 53.9 Ų | 53.9 | 39% | 0.39 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -80.9 | 22.4 | 165.1 | 69.1 | -57.3 | 0 | 0 | 0 | 111.6 | Y1780 C1781 M1785 F1786 | N1766-Y1780 CarbonylContact O-C 3.56Å; N1766-Y1780 WeakPolarHBondContact O-CA 3.44Å; N1766-C1781 PolarHBondContact O-N 3.41Å; N1766-M1785 WeakPolarHBondContact CB-O 3.36Å; N1766-F1786 HydrophobicContact CB-CE1 4.45Å |
| 1767 | Y | 92 | Very high | 87.1 | Confident | 26 Ų | 26 | 53.1 Ų | 53.1 | 10% | 0.102 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 159.5 | 179.3 | 67.6 | -100.2 | 0 | 0 | 0 | 110.5 | P1744 P1745 D1759 T1765 F1769 V1778 F1779 Y1780 | P1744-Y1767 HydrophobicContact CB-CD2 4.28Å; P1744-Y1767 HydrophobicContact CB-CE1 4.44Å; P1744-Y1767 HydrophobicContact CB-CE2 3.6Å; P1744-Y1767 HydrophobicContact CG-CD1 4.41Å; P1744-Y1767 HydrophobicContact CG-CD2 4.31Å; P1744-Y1767 HydrophobicContact CG-CE1 4.01Å; P1744-Y1767 HydrophobicContact CG-CE2 3.92Å; P1745-Y1767 WeakPolarHBondContact CD-OH 3.43Å; D1759-Y1767 HydrophobicContact CB-CE2 4.14Å; D1759-Y1767 PolarHBondContact OD2-OH 3.36Å; T1765-Y1767 VanDerWaalsContact CB-O 3.29Å; T1765-Y1767 WeakPolarHBondContact CB-O 3.28Å; T1765-Y1767 HydrophobicContact CG2-CD1 3.97Å; T1765-Y1767 HydrophobicContact CG2-CD2 4.39Å; T1765-Y1767 HydrophobicContact CG2-CE1 3.41Å; T1765-Y1767 VanDerWaalsContact CG2-CE1 3.41Å; T1765-Y1767 HydrophobicContact CG2-CE2 3.87Å; T1765-Y1767 HydrophobicContact CG2-CG 4.43Å; T1765-Y1767 PolarHBondContact O-N 2.89Å; T1765-Y1767 PolarHBondContact OG1-O 2.84Å; Y1767-F1769 HydrophobicContact CE2-CE2 4.01Å; Y1767-F1769 AromaticContact CE2-CZ 3.91Å; Y1767-F1769 HydrophobicContact CE2-CZ 3.91Å; Y1767-V1778 HydrophobicContact CD2-CG1 4.21Å; Y1767-V1778 HydrophobicContact CG-CG1 4.48Å; Y1767-F1779 CarbonylContact C-O 3.53Å; Y1767-F1779 WeakPolarHBondContact CA-O 3.42Å; Y1767-F1779 WeakPolarHBondContact CB-O 3.35Å; Y1767-Y1780 HydrophobicContact CD1-CE1 4.18Å; Y1767-Y1780 HydrophobicContact CG-CE1 4.32Å |
| 1768 | Y | 92.2 | Very high | 87.1 | Confident | 41 Ų | 41 | 52.9 Ų | 52.9 | 16% | 0.161 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 162.8 | 175.6 | 60.9 | -79 | 0 | 0 | 0 | 110.3 | N1756 V1770 F1779 Y1787 | N1756-Y1768 HydrophobicContact CB-CD2 4.03Å; N1756-Y1768 HydrophobicContact CB-CE2 4.27Å; Y1768-V1770 HydrophobicContact CD2-CG2 3.95Å; Y1768-V1770 HydrophobicContact CE2-CG2 3.56Å; Y1768-F1779 HydrophobicContact CD1-CB 4.2Å; Y1768-F1779 WeakPolarHBondContact CD1-O 3.3Å; Y1768-F1779 HydrophobicContact CD2-CB 4.37Å; Y1768-F1779 HydrophobicContact CE1-CB 3.65Å; Y1768-F1779 HydrophobicContact CE2-CB 3.86Å; Y1768-F1779 HydrophobicContact CE2-CG 4.45Å; Y1768-F1779 VanDerWaalsContact CZ-CB 3.46Å; Y1768-F1779 PolarHBondContact N-O 3.46Å; Y1768-F1779 PolarHBondContact O-N 2.79Å; Y1768-Y1787 VanDerWaalsContact CB-CG 3.5Å; Y1768-Y1787 AromaticContact CD1-CD2 3.66Å; Y1768-Y1787 HydrophobicContact CD1-CD2 3.66Å; Y1768-Y1787 HydrophobicContact CD1-CE2 4.29Å; Y1768-Y1787 HydrophobicContact CD1-CG 4.13Å; Y1768-Y1787 HydrophobicContact CD2-CD2 4.23Å; Y1768-Y1787 HydrophobicContact CD2-CE2 4.07Å; Y1768-Y1787 HydrophobicContact CE1-CD2 4.35Å; Y1768-Y1787 AromaticContact CG-CD2 3.6Å; Y1768-Y1787 HydrophobicContact CG-CD2 3.6Å; Y1768-Y1787 AromaticContact CG-CE2 3.9Å; Y1768-Y1787 HydrophobicContact CG-CE2 3.9Å; Y1768-Y1787 AromaticContact CG-CG 3.96Å; Y1768-Y1787 HydrophobicContact CG-CG 3.96Å |
| 1769 | F | 92.4 | Very high | 87.1 | Confident | 3 Ų | 3 | 57.2 Ų | 57.2 | 1% | 0.013 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 129.5 | 177 | -58.4 | -82.8 | 0 | 0 | 0 | 109.5 | P1744 P1745 I1747 N1756 Y1757 D1759 Y1767 T1776 A1777 V1778 | P1744-F1769 HydrophobicContact CB-CE1 4.13Å; P1744-F1769 HydrophobicContact CB-CZ 3.89Å; P1745-F1769 WeakPolarHBondContact O-CZ 3.33Å; I1747-F1769 HydrophobicContact CB-CD1 4.4Å; I1747-F1769 HydrophobicContact CB-CD2 4.22Å; I1747-F1769 HydrophobicContact CB-CE2 4.49Å; I1747-F1769 HydrophobicContact CB-CG 4.17Å; I1747-F1769 HydrophobicContact CD1-CD2 4.33Å; I1747-F1769 HydrophobicContact CG2-CB 3.57Å; I1747-F1769 HydrophobicContact CG2-CD1 3.78Å; I1747-F1769 HydrophobicContact CG2-CD2 3.98Å; I1747-F1769 HydrophobicContact CG2-CE1 4.48Å; I1747-F1769 HydrophobicContact CG2-CG 3.5Å; I1747-F1769 VanDerWaalsContact CG2-CG 3.5Å; N1756-F1769 CarbonylContact C-O 3.6Å; N1756-F1769 WeakPolarHBondContact CA-O 3.47Å; Y1757-F1769 PolarHBondContact N-O 3.17Å; Y1757-F1769 PolarHBondContact O-N 2.78Å; D1759-F1769 HydrophobicContact CB-CE2 4.12Å; Y1767-F1769 HydrophobicContact CE2-CE2 4.01Å; Y1767-F1769 AromaticContact CE2-CZ 3.91Å; Y1767-F1769 HydrophobicContact CE2-CZ 3.91Å; F1769-T1776 HydrophobicContact CD1-CG2 4.05Å; F1769-A1777 CarbonylContact C-O 3.57Å; F1769-A1777 WeakPolarHBondContact CA-O 3.17Å; F1769-V1778 HydrophobicContact CD1-CG2 3.82Å; F1769-V1778 HydrophobicContact CE1-CG2 3.81Å |
| 1770 | V | 91.8 | Very high | 87.4 | Confident | 29 Ų | 29 | 62.4 Ų | 62.4 | 18% | 0.176 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 124.1 | 168.1 | 178.6 | 0 | 0 | 0 | 0 | 107.8 | Y1768 A1777 F1779 | Y1768-V1770 HydrophobicContact CD2-CG2 3.95Å; Y1768-V1770 HydrophobicContact CE2-CG2 3.56Å; V1770-A1777 HydrophobicContact CB-CB 4.46Å; V1770-A1777 PolarHBondContact N-O 2.9Å; V1770-A1777 PolarHBondContact O-N 2.86Å; V1770-F1779 HydrophobicContact CB-CD2 3.91Å; V1770-F1779 HydrophobicContact CB-CE2 3.88Å; V1770-F1779 HydrophobicContact CG2-CD2 3.32Å; V1770-F1779 HydrophobicContact CG2-CE2 3.62Å; V1770-F1779 HydrophobicContact CG2-CG 4.15Å |
| 1771 | C | 93 | Very high | 87.8 | Confident | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.014 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 128.3 | 166 | -64.5 | 0 | 0 | 0 | 0 | 109.7 | C1749 M1752 A1753 N1754 G1755 Y1757 S1775 | C1749-C1771 HydrophobicContact CB-CB 3.6Å; C1749-C1771 WeakPolarHBondContact CB-SG 3.21Å; C1749-C1771 WeakPolarHBondContact SG-CA 3.43Å; C1749-C1771 WeakPolarHBondContact SG-CB 3.14Å; C1749-C1771 CovalentContact SG-SG 2.03Å; C1749-C1771 PolarHBondContact SG-SG 2.99Å; M1752-C1771 WeakPolarHBondContact CE-SG 3.29Å; A1753-C1771 VanDerWaalsContact O-CB 3.3Å; A1753-C1771 WeakPolarHBondContact O-CB 3.44Å; N1754-C1771 CarbonylContact C-O 3.55Å; N1754-C1771 WeakPolarHBondContact CA-O 3.45Å; G1755-C1771 PolarHBondContact N-O 3.43Å; G1755-C1771 PolarHBondContact O-N 3.3Å; Y1757-C1771 HydrophobicContact CD2-CB 4.21Å; Y1757-C1771 VanDerWaalsContact CD2-SG 3.55Å; Y1757-C1771 HydrophobicContact CE2-CB 3.9Å; Y1757-C1771 VanDerWaalsContact CE2-SG 3.59Å; C1771-S1775 WeakPolarHBondContact CA-O 3.29Å |
| 1772 | N | 88.4 | Confident | 88 | Confident | 92 Ų | 92 | 54.9 Ų | 54.9 | 49% | 0.492 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 120.4 | 168.7 | -168.9 | 16.9 | 0 | 0 | 0 | 109.7 | N1754 G1774 S1775 | N1754-N1772 PolarHBondContact ND2-OD1 3.25Å; N1772-G1774 PolarHBondContact O-N 2.04Å; N1772-G1774 VanDerWaalsContact O-N 3.13Å; N1772-S1775 PolarHBondContact N-O 2.84Å; N1772-S1775 VanDerWaalsContact N-O 3.12Å; N1772-S1775 WeakPolarHBondContact O-CB 2.96Å; N1772-S1775 PolarHBondContact O-N 3.49Å |
| 1773 | N | 86.8 | Confident | 87.5 | Confident | 136 Ų | 136 | 61 Ų | 61 | 73% | 0.727 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.3 | 39.8 | 179.6 | -63.9 | -17.6 | 0 | 0 | 0 | 114 | N1754 S1775 | N1754-N1773 PolarHBondContact ND2-OD1 3.34Å; N1754-N1773 PolarHBondContact OD1-N 2.94Å; N1773-S1775 VanDerWaalsContact C-N 3.31Å; N1773-S1775 PolarHBondContact O-N 2.96Å |
| 1774 | G | 85.2 | Confident | 87.5 | Confident | 22 Ų | 22 | 59.6 Ų | 59.6 | 23% | 0.227 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87 | -15.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | C1749 T1750 N1772 | C1749-G1774 CarbonylContact C-O 3.53Å; C1749-G1774 VanDerWaalsContact CB-O 3.23Å; C1749-G1774 WeakPolarHBondContact CB-O 3.43Å; T1750-G1774 PolarHBondContact N-O 3.16Å; N1772-G1774 PolarHBondContact O-N 2.04Å; N1772-G1774 VanDerWaalsContact O-N 3.13Å |
| 1775 | S | 80.7 | Confident | 87.5 | Confident | 85 Ų | 85 | 61.2 Ų | 61.2 | 59% | 0.594 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 150.9 | 173.9 | -63.5 | 0 | 0 | 0 | 0 | 111.8 | C1749 C1771 N1772 N1773 | C1749-S1775 VanDerWaalsContact CB-O 3.28Å; C1749-S1775 WeakPolarHBondContact CB-O 3.37Å; C1749-S1775 PolarHBondContact SG-O 2.91Å; C1771-S1775 WeakPolarHBondContact CA-O 3.29Å; N1772-S1775 PolarHBondContact N-O 2.84Å; N1772-S1775 VanDerWaalsContact N-O 3.12Å; N1772-S1775 WeakPolarHBondContact O-CB 2.96Å; N1772-S1775 PolarHBondContact O-N 3.49Å; N1773-S1775 VanDerWaalsContact C-N 3.31Å; N1773-S1775 PolarHBondContact O-N 2.96Å |
| 1776 | T | 84 | Confident | 87.5 | Confident | 45 Ų | 45 | 62.7 Ų | 62.7 | 28% | 0.276 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 118.2 | -178.7 | -53.4 | 0 | 0 | 0 | 0 | 110.5 | I1747 C1749 F1769 | I1747-T1776 HydrophobicContact CG2-CG2 3.9Å; I1747-T1776 PolarHBondContact O-OG1 3.07Å; C1749-T1776 VanDerWaalsContact CB-OG1 3.25Å; C1749-T1776 WeakPolarHBondContact CB-OG1 3.41Å; C1749-T1776 PolarHBondContact N-OG1 2.87Å; C1749-T1776 PolarHBondContact SG-OG1 3.48Å; F1769-T1776 HydrophobicContact CD1-CG2 4.05Å |
| 1777 | A | 83 | Confident | 87.6 | Confident | 43 Ų | 43 | 59.3 Ų | 59.3 | 36% | 0.355 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 154.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | F1769 V1770 F1779 | F1769-A1777 CarbonylContact C-O 3.57Å; F1769-A1777 WeakPolarHBondContact CA-O 3.17Å; V1770-A1777 HydrophobicContact CB-CB 4.46Å; V1770-A1777 PolarHBondContact N-O 2.9Å; V1770-A1777 PolarHBondContact O-N 2.86Å; A1777-F1779 HydrophobicContact CB-CD2 4.14Å; A1777-F1779 HydrophobicContact CB-CE2 3.62Å |
| 1778 | V | 88.7 | Confident | 87.6 | Confident | 62 Ų | 62 | 58.7 Ų | 58.7 | 38% | 0.376 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 121.8 | 176 | -175.1 | 0 | 0 | 0 | 0 | 108.4 | Y1767 F1769 Y1780 | Y1767-V1778 HydrophobicContact CD2-CG1 4.21Å; Y1767-V1778 HydrophobicContact CG-CG1 4.48Å; F1769-V1778 HydrophobicContact CD1-CG2 3.82Å; F1769-V1778 HydrophobicContact CE1-CG2 3.81Å; V1778-Y1780 HydrophobicContact CG1-CE2 4.26Å |
| 1779 | F | 87.7 | Confident | 87.3 | Confident | 102 Ų | 102 | 59.3 Ų | 59.3 | 45% | 0.447 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 140.3 | 178.5 | -76.3 | -98.4 | 0 | 0 | 0 | 110 | Y1767 Y1768 V1770 A1777 | Y1767-F1779 CarbonylContact C-O 3.53Å; Y1767-F1779 WeakPolarHBondContact CA-O 3.42Å; Y1767-F1779 WeakPolarHBondContact CB-O 3.35Å; Y1768-F1779 HydrophobicContact CD1-CB 4.2Å; Y1768-F1779 WeakPolarHBondContact CD1-O 3.3Å; Y1768-F1779 HydrophobicContact CD2-CB 4.37Å; Y1768-F1779 HydrophobicContact CE1-CB 3.65Å; Y1768-F1779 HydrophobicContact CE2-CB 3.86Å; Y1768-F1779 HydrophobicContact CE2-CG 4.45Å; Y1768-F1779 VanDerWaalsContact CZ-CB 3.46Å; Y1768-F1779 PolarHBondContact N-O 3.46Å; Y1768-F1779 PolarHBondContact O-N 2.79Å; V1770-F1779 HydrophobicContact CB-CD2 3.91Å; V1770-F1779 HydrophobicContact CB-CE2 3.88Å; V1770-F1779 HydrophobicContact CG2-CD2 3.32Å; V1770-F1779 HydrophobicContact CG2-CE2 3.62Å; V1770-F1779 HydrophobicContact CG2-CG 4.15Å; A1777-F1779 HydrophobicContact CB-CD2 4.14Å; A1777-F1779 HydrophobicContact CB-CE2 3.62Å |
| 1780 | Y | 92.9 | Very high | 87 | Confident | 117 Ų | 117 | 65.2 Ų | 65.2 | 46% | 0.459 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 143.2 | 177.2 | -69.4 | -90.9 | 0 | 0 | 0 | 110.5 | N1766 Y1767 V1778 | N1766-Y1780 CarbonylContact O-C 3.56Å; N1766-Y1780 WeakPolarHBondContact O-CA 3.44Å; Y1767-Y1780 HydrophobicContact CD1-CE1 4.18Å; Y1767-Y1780 HydrophobicContact CG-CE1 4.32Å; V1778-Y1780 HydrophobicContact CG1-CE2 4.26Å |
| 1781 | C | 90.5 | Very high | 86.8 | Confident | 13 Ų | 13 | 66.1 Ų | 66.1 | 9% | 0.088 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -75.4 | 153.7 | 168.1 | -66 | 0 | 0 | 0 | 0 | 110.4 | N1766 M1785 C1794 | N1766-C1781 PolarHBondContact O-N 3.41Å; C1781-M1785 HydrophobicContact CB-CB 3.9Å; C1781-M1785 WeakPolarHBondContact CB-O 3.5Å; C1781-C1794 WeakPolarHBondContact CA-SG 3.43Å; C1781-C1794 HydrophobicContact CB-CB 3.65Å; C1781-C1794 WeakPolarHBondContact CB-SG 3.23Å; C1781-C1794 WeakPolarHBondContact SG-CB 3.35Å; C1781-C1794 CovalentContact SG-SG 2.04Å; C1781-C1794 PolarHBondContact SG-SG 3.23Å |
| 1782 | A | 81.9 | Confident | 86.6 | Confident | 74 Ų | 74 | 72.6 Ų | 72.6 | 61% | 0.612 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -54.6 | 159.3 | 172 | 0 | 0 | 0 | 0 | 0 | 112.2 | G1784 M1785 | A1782-G1784 PolarHBondContact O-N 2.97Å; A1782-M1785 HydrophobicContact CB-CG 4.44Å; A1782-M1785 VanDerWaalsContact O-CB 3.3Å; A1782-M1785 WeakPolarHBondContact O-CB 3.26Å; A1782-M1785 PolarHBondContact O-N 2.79Å |
| 1783 | E | 74.8 | Confident | 86.6 | Confident | 206 Ų | 206 | 74.8 Ų | 74.8 | 96% | 0.963 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 129.6 | -169.7 | -168.6 | 172.4 | -177.7 | 0 | 0 | 112.7 | M1785 | E1783-M1785 VanDerWaalsContact C-N 3.27Å; E1783-M1785 PolarHBondContact O-N 3.24Å |
| 1784 | G | 81.2 | Confident | 86.9 | Confident | 55 Ų | 55 | 70.3 Ų | 70.3 | 57% | 0.567 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.4 | -13.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | A1782 F1786 | A1782-G1784 PolarHBondContact O-N 2.97Å; G1784-F1786 VanDerWaalsContact O-CD2 3.32Å; G1784-F1786 WeakPolarHBondContact O-CD2 3.41Å; G1784-F1786 WeakPolarHBondContact O-CE2 3.03Å |
| 1785 | M | 88.4 | Confident | 87.2 | Confident | 57 Ų | 57 | 70.9 Ų | 70.9 | 28% | 0.281 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 152.5 | -179.9 | -58.9 | -75.3 | -90 | 0 | 0 | 112.1 | N1766 C1781 A1782 E1783 C1794 D1795 T1796 | N1766-M1785 WeakPolarHBondContact CB-O 3.36Å; C1781-M1785 HydrophobicContact CB-CB 3.9Å; C1781-M1785 WeakPolarHBondContact CB-O 3.5Å; A1782-M1785 HydrophobicContact CB-CG 4.44Å; A1782-M1785 VanDerWaalsContact O-CB 3.3Å; A1782-M1785 WeakPolarHBondContact O-CB 3.26Å; A1782-M1785 PolarHBondContact O-N 2.79Å; E1783-M1785 VanDerWaalsContact C-N 3.27Å; E1783-M1785 PolarHBondContact O-N 3.24Å; M1785-C1794 HydrophobicContact CB-CB 4.33Å; M1785-C1794 WeakPolarHBondContact CE-O 3.38Å; M1785-D1795 CarbonylContact C-O 3.56Å; M1785-D1795 WeakPolarHBondContact CA-O 3.48Å; M1785-D1795 VanDerWaalsContact SD-C 3.56Å; M1785-T1796 HydrophobicContact SD-CG2 3.95Å |
| 1786 | F | 91.5 | Very high | 87.6 | Confident | 33 Ų | 33 | 69.2 Ų | 69.2 | 15% | 0.145 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 147.5 | -176.5 | -72.2 | -100.1 | 0 | 0 | 0 | 109.9 | T1765 N1766 G1784 N1788 D1795 K1797 V1800 | T1765-F1786 VanDerWaalsContact C-CD1 3.47Å; T1765-F1786 CarbonylContact O-C 3.45Å; T1765-F1786 WeakPolarHBondContact O-CA 3.32Å; N1766-F1786 HydrophobicContact CB-CE1 4.45Å; G1784-F1786 VanDerWaalsContact O-CD2 3.32Å; G1784-F1786 WeakPolarHBondContact O-CD2 3.41Å; G1784-F1786 WeakPolarHBondContact O-CE2 3.03Å; F1786-N1788 PolarHBondContact O-N 3.48Å; F1786-D1795 PolarHBondContact N-O 3.16Å; F1786-D1795 PolarHBondContact O-N 2.79Å; F1786-D1795 VanDerWaalsContact O-O 3.14Å; F1786-K1797 HydrophobicContact CD2-CB 3.71Å; F1786-K1797 HydrophobicContact CD2-CD 4.15Å; F1786-K1797 HydrophobicContact CD2-CG 3.86Å; F1786-K1797 HydrophobicContact CE2-CB 3.99Å; F1786-K1797 HydrophobicContact CE2-CD 3.69Å; F1786-K1797 HydrophobicContact CE2-CG 3.94Å; F1786-K1797 HydrophobicContact CG-CG 4.37Å; F1786-K1797 HydrophobicContact CZ-CD 3.99Å; F1786-K1797 HydrophobicContact CZ-CG 4.48Å; F1786-V1800 HydrophobicContact CB-CG2 3.85Å; F1786-V1800 WeakPolarHBondContact O-CG2 3.44Å |
| 1787 | Y | 92.4 | Very high | 87.6 | Confident | 3 Ų | 3 | 71.3 Ų | 71.3 | 1% | 0.012 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 119.3 | -176 | -178.3 | -107.6 | 0 | 0 | 0 | 112.2 | N1756 A1758 T1765 Y1768 S1789 E1792 | N1756-Y1787 HydrophobicContact CB-CE2 4.26Å; N1756-Y1787 WeakPolarHBondContact CB-OH 3.5Å; N1756-Y1787 PolarHBondContact O-OH 2.03Å; A1758-Y1787 HydrophobicContact CB-CD1 3.78Å; A1758-Y1787 HydrophobicContact CB-CE1 4.03Å; T1765-Y1787 PolarHBondContact O-N 3.24Å; Y1768-Y1787 VanDerWaalsContact CB-CG 3.5Å; Y1768-Y1787 AromaticContact CD1-CD2 3.66Å; Y1768-Y1787 HydrophobicContact CD1-CD2 3.66Å; Y1768-Y1787 HydrophobicContact CD1-CE2 4.29Å; Y1768-Y1787 HydrophobicContact CD1-CG 4.13Å; Y1768-Y1787 HydrophobicContact CD2-CD2 4.23Å; Y1768-Y1787 HydrophobicContact CD2-CE2 4.07Å; Y1768-Y1787 HydrophobicContact CE1-CD2 4.35Å; Y1768-Y1787 AromaticContact CG-CD2 3.6Å; Y1768-Y1787 HydrophobicContact CG-CD2 3.6Å; Y1768-Y1787 AromaticContact CG-CE2 3.9Å; Y1768-Y1787 HydrophobicContact CG-CE2 3.9Å; Y1768-Y1787 AromaticContact CG-CG 3.96Å; Y1768-Y1787 HydrophobicContact CG-CG 3.96Å; Y1787-S1789 PolarHBondContact O-N 2.9Å; Y1787-E1792 WeakPolarHBondContact OH-CA 3.1Å |
| 1788 | N | 91.5 | Very high | 87.7 | Confident | 12 Ų | 12 | 75.9 Ų | 75.9 | 6% | 0.064 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 93.2 | 178.4 | -164.8 | -13.9 | 0 | 0 | 0 | 110.7 | F1786 D1790 A1791 E1792 Q1793 D1795 V1800 | F1786-N1788 PolarHBondContact O-N 3.48Å; N1788-D1790 PolarHBondContact O-N 2.79Å; N1788-D1790 VanDerWaalsContact O-N 3.08Å; N1788-D1790 PolarHBondContact OD1-N 3.43Å; N1788-A1791 HydrophobicContact CB-CB 4.17Å; N1788-A1791 CarbonylContact O-C 3.55Å; N1788-A1791 PolarHBondContact O-N 2.75Å; N1788-E1792 PolarHBondContact O-N 3.34Å; N1788-Q1793 WeakPolarHBondContact CA-O 3.18Å; N1788-Q1793 WeakPolarHBondContact CB-O 3.14Å; N1788-Q1793 PolarHBondContact N-O 2.87Å; N1788-D1795 HydrophobicContact CB-CB 3.74Å; N1788-D1795 PolarHBondContact ND2-OD2 2.97Å; N1788-V1800 HydrophobicContact CB-CG2 3.94Å |
| 1789 | S | 87 | Confident | 87.4 | Confident | 54 Ų | 54 | 78.5 Ų | 78.5 | 38% | 0.378 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -13.8 | 179.9 | -160 | 0 | 0 | 0 | 0 | 115.1 | Y1787 | Y1787-S1789 PolarHBondContact O-N 2.9Š|
| 1790 | D | 85.1 | Confident | 87.4 | Confident | 127 Ų | 127 | 73.7 Ų | 73.7 | 68% | 0.679 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -11.9 | 174.9 | -71 | -11.9 | 0 | 0 | 0 | 112.1 | N1788 | N1788-D1790 PolarHBondContact O-N 2.79Å; N1788-D1790 VanDerWaalsContact O-N 3.08Å; N1788-D1790 PolarHBondContact OD1-N 3.43Å |
| 1791 | A | 87.3 | Confident | 86.9 | Confident | 48 Ų | 48 | 69.8 Ų | 69.8 | 40% | 0.397 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.5 | -3.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | N1788 Q1793 | N1788-A1791 HydrophobicContact CB-CB 4.17Å; N1788-A1791 CarbonylContact O-C 3.55Å; N1788-A1791 PolarHBondContact O-N 2.75Å; A1791-Q1793 WeakPolarHBondContact O-CG 3.44Å; A1791-Q1793 PolarHBondContact O-N 3.06Å; A1791-Q1793 VanDerWaalsContact O-N 3.16Å |
| 1792 | E | 90.1 | Very high | 86.5 | Confident | 138 Ų | 138 | 71.2 Ų | 71.2 | 65% | 0.645 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 23.1 | -176.8 | -60 | -176.4 | 171.2 | 0 | 0 | 114.9 | Y1787 N1788 | Y1787-E1792 WeakPolarHBondContact OH-CA 3.1Å; N1788-E1792 PolarHBondContact O-N 3.34Å |
| 1793 | Q | 87.8 | Confident | 86.7 | Confident | 139 Ų | 139 | 69.2 Ų | 69.2 | 65% | 0.65 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 160.8 | -173.8 | -69.7 | 177.9 | 8.6 | 0 | 0 | 112 | N1788 A1791 | N1788-Q1793 WeakPolarHBondContact CA-O 3.18Å; N1788-Q1793 WeakPolarHBondContact CB-O 3.14Å; N1788-Q1793 PolarHBondContact N-O 2.87Å; A1791-Q1793 WeakPolarHBondContact O-CG 3.44Å; A1791-Q1793 PolarHBondContact O-N 3.06Å; A1791-Q1793 VanDerWaalsContact O-N 3.16Å |
| 1794 | C | 93.2 | Very high | 86.9 | Confident | 42 Ų | 42 | 62.6 Ų | 62.6 | 28% | 0.284 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 132.2 | 168.4 | -68.5 | 0 | 0 | 0 | 0 | 110.5 | C1781 M1785 | C1781-C1794 WeakPolarHBondContact CA-SG 3.43Å; C1781-C1794 HydrophobicContact CB-CB 3.65Å; C1781-C1794 WeakPolarHBondContact CB-SG 3.23Å; C1781-C1794 WeakPolarHBondContact SG-CB 3.35Å; C1781-C1794 CovalentContact SG-SG 2.04Å; C1781-C1794 PolarHBondContact SG-SG 3.23Å; M1785-C1794 HydrophobicContact CB-CB 4.33Å; M1785-C1794 WeakPolarHBondContact CE-O 3.38Å |
| 1795 | D | 91.7 | Very high | 86.7 | Confident | 33 Ų | 33 | 60.6 Ų | 60.6 | 18% | 0.176 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 166.5 | -170.6 | -166 | -5.7 | 0 | 0 | 0 | 110.6 | M1785 F1786 N1788 M1799 V1800 | M1785-D1795 CarbonylContact C-O 3.56Å; M1785-D1795 WeakPolarHBondContact CA-O 3.48Å; M1785-D1795 VanDerWaalsContact SD-C 3.56Å; F1786-D1795 PolarHBondContact N-O 3.16Å; F1786-D1795 PolarHBondContact O-N 2.79Å; F1786-D1795 VanDerWaalsContact O-O 3.14Å; N1788-D1795 HydrophobicContact CB-CB 3.74Å; N1788-D1795 PolarHBondContact ND2-OD2 2.97Å; D1795-M1799 WeakPolarHBondContact OD2-CB 3.42Å; D1795-V1800 HydrophobicContact CB-CG2 4.1Å |
| 1796 | T | 88.6 | Confident | 85.5 | Confident | 51 Ų | 51 | 65.7 Ų | 65.7 | 31% | 0.313 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 144.9 | 173.8 | 59.1 | 0 | 0 | 0 | 0 | 111.6 | M1785 E1798 M1799 V1800 | M1785-T1796 HydrophobicContact SD-CG2 3.95Å; T1796-E1798 PolarHBondContact O-N 3.32Å; T1796-E1798 VanDerWaalsContact O-N 3.09Å; T1796-M1799 PolarHBondContact O-N 2.58Å; T1796-M1799 WeakPolarHBondContact OG1-CG 3.48Å; T1796-V1800 PolarHBondContact O-N 3.22Å |
| 1797 | K | 84.2 | Confident | 83.6 | Confident | 88 Ų | 88 | 70.6 Ų | 70.6 | 38% | 0.383 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -30.7 | -175 | -167.2 | 174.4 | -169.4 | 158.7 | 0 | 113.8 | F1786 M1799 C1803 | F1786-K1797 HydrophobicContact CD2-CB 3.71Å; F1786-K1797 HydrophobicContact CD2-CD 4.15Å; F1786-K1797 HydrophobicContact CD2-CG 3.86Å; F1786-K1797 HydrophobicContact CE2-CB 3.99Å; F1786-K1797 HydrophobicContact CE2-CD 3.69Å; F1786-K1797 HydrophobicContact CE2-CG 3.94Å; F1786-K1797 HydrophobicContact CG-CG 4.37Å; F1786-K1797 HydrophobicContact CZ-CD 3.99Å; F1786-K1797 HydrophobicContact CZ-CG 4.48Å; K1797-M1799 VanDerWaalsContact C-N 3.32Å; K1797-C1803 HydrophobicContact CG-CB 3.74Å; K1797-C1803 VanDerWaalsContact O-CB 3.26Å; K1797-C1803 WeakPolarHBondContact O-CB 3.3Å |
| 1798 | E | 84.4 | Confident | 81.3 | Confident | 139 Ų | 139 | 75.6 Ų | 75.6 | 65% | 0.65 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -15.4 | 179.8 | -70.8 | 63 | -143 | 0 | 0 | 113.5 | T1796 G1805 L1806 | T1796-E1798 PolarHBondContact O-N 3.32Å; T1796-E1798 VanDerWaalsContact O-N 3.09Å; E1798-G1805 WeakPolarHBondContact O-CA 3.44Å; E1798-L1806 PolarHBondContact O-N 3.17Å |
| 1799 | M | 83.3 | Confident | 78.7 | Confident | 117 Ų | 117 | 81.3 Ų | 81.3 | 58% | 0.576 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | -31.2 | 176 | -64 | -166.5 | -152.2 | 0 | 0 | 112.6 | D1795 T1796 K1797 P1801 | D1795-M1799 WeakPolarHBondContact OD2-CB 3.42Å; T1796-M1799 PolarHBondContact O-N 2.58Å; T1796-M1799 WeakPolarHBondContact OG1-CG 3.48Å; K1797-M1799 VanDerWaalsContact C-N 3.32Å; M1799-P1801 WeakPolarHBondContact O-CD 3.49Å |
| 1800 | V | 87.7 | Confident | 76.2 | Confident | 2 Ų | 2 | 84.4 Ų | 84.4 | 1% | 0.012 | 49% | 0.488 | C | S | . | . | trans | -63.2 | 115 | 175.1 | -179.7 | 0 | 0 | 0 | 0 | 111.4 | F1786 N1788 D1795 T1796 G1802 C1803 G1805 | F1786-V1800 HydrophobicContact CB-CG2 3.85Å; F1786-V1800 WeakPolarHBondContact O-CG2 3.44Å; N1788-V1800 HydrophobicContact CB-CG2 3.94Å; D1795-V1800 HydrophobicContact CB-CG2 4.1Å; T1796-V1800 PolarHBondContact O-N 3.22Å; V1800-G1802 VanDerWaalsContact C-N 3.3Å; V1800-G1802 PolarHBondContact O-N 3.1Å; V1800-C1803 HydrophobicContact CB-CB 4.13Å; V1800-C1803 HydrophobicContact CG1-CB 4.3Å; V1800-C1803 WeakPolarHBondContact O-CB 3.24Å; V1800-C1803 PolarHBondContact O-N 3.19Å; V1800-G1805 PolarHBondContact O-N 2.9Å; V1800-G1805 VanDerWaalsContact O-N 3.12Å | ||
| 1801 | P | 82.8 | Confident | 73.6 | Confident | 35 Ų | 35 | 83.2 Ų | 83.2 | 23% | 0.227 | 50% | 0.496 | C | S | . | . | G | 310 helix | trans | -64.5 | -32.7 | -176 | -26.3 | 38.2 | 0 | 0 | 0 | 113.5 | M1799 C1803 G1804 Q1807 | M1799-P1801 WeakPolarHBondContact O-CD 3.49Å; P1801-C1803 PolarHBondContact O-N 3.25Å; P1801-G1804 PolarHBondContact O-N 3.33Å; P1801-Q1807 HydrophobicContact CB-CG 4.08Å; P1801-Q1807 HydrophobicContact CG-CG 4.42Å |
| 1802 | G | 81.6 | Confident | 70.9 | Confident | 42 Ų | 42 | 84.3 Ų | 84.3 | 43% | 0.433 | 51% | 0.512 | S | S | . | . | G | 310 helix | trans | -65.6 | -23.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | N1763 V1800 G1804 | N1763-G1802 WeakPolarHBondContact O-CA 3.2Å; V1800-G1802 VanDerWaalsContact C-N 3.3Å; V1800-G1802 PolarHBondContact O-N 3.1Å; G1802-G1804 VanDerWaalsContact C-N 3.29Å |
| 1803 | C | 86.1 | Confident | 68 | Low | 32 Ų | 32 | 83.5 Ų | 83.5 | 22% | 0.216 | 52% | 0.522 | C | S | . | . | G | 310 helix | trans | -82.8 | -2.2 | 172.4 | -68.7 | 0 | 0 | 0 | 0 | 113.9 | C1764 K1797 V1800 P1801 | C1764-C1803 WeakPolarHBondContact CA-SG 3.44Å; C1764-C1803 HydrophobicContact CB-CB 3.91Å; C1764-C1803 WeakPolarHBondContact CB-SG 3.48Å; C1764-C1803 WeakPolarHBondContact SG-CA 3.19Å; C1764-C1803 WeakPolarHBondContact SG-CB 3.38Å; C1764-C1803 CovalentContact SG-SG 2.04Å; C1764-C1803 PolarHBondContact SG-SG 3.13Å; K1797-C1803 HydrophobicContact CG-CB 3.74Å; K1797-C1803 VanDerWaalsContact O-CB 3.26Å; K1797-C1803 WeakPolarHBondContact O-CB 3.3Å; V1800-C1803 HydrophobicContact CB-CB 4.13Å; V1800-C1803 HydrophobicContact CG1-CB 4.3Å; V1800-C1803 WeakPolarHBondContact O-CB 3.24Å; V1800-C1803 PolarHBondContact O-N 3.19Å; P1801-C1803 PolarHBondContact O-N 3.25Å |
| 1804 | G | 79.7 | Confident | 65.5 | Low | 68 Ų | 68 | 80.7 Ų | 80.7 | 70% | 0.701 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.9 | 13.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | P1801 G1802 | P1801-G1804 PolarHBondContact O-N 3.33Å; G1802-G1804 VanDerWaalsContact C-N 3.29Å |
| 1805 | G | 75.9 | Confident | 62.4 | Low | 13 Ų | 13 | 84.8 Ų | 84.8 | 13% | 0.134 | 55% | 0.553 | C | S | . | * | trans | -60 | 157.6 | 173 | 0 | 0 | 0 | 0 | 0 | 113.4 | E1798 V1800 Q1807 | E1798-G1805 WeakPolarHBondContact O-CA 3.44Å; V1800-G1805 PolarHBondContact O-N 2.9Å; V1800-G1805 VanDerWaalsContact O-N 3.12Å; G1805-Q1807 PolarHBondContact O-N 3.2Å; G1805-Q1807 VanDerWaalsContact O-N 3.17Å | ||
| 1806 | L | 64 | Low | 59.4 | Low | 163 Ų | 163 | 90.9 Ų | 90.9 | 85% | 0.853 | 58% | 0.584 | S | S | * | * | trans | -75.4 | 105.5 | 179.2 | -71.6 | 174.4 | 0 | 0 | 0 | 110.1 | E1798 S1808 | E1798-L1806 PolarHBondContact O-N 3.17Å; L1806-S1808 PolarHBondContact O-N 2.95Å | ||
| 1807 | Q | 51.9 | Low | 56.5 | Low | 137 Ų | 137 | 96.6 Ų | 96.6 | 64% | 0.64 | 61% | 0.613 | S | S | * | * | trans | -48 | 124.9 | 172.8 | -74.8 | -169.8 | -47.2 | 0 | 0 | 111.2 | P1801 G1805 T1809 | P1801-Q1807 HydrophobicContact CB-CG 4.08Å; P1801-Q1807 HydrophobicContact CG-CG 4.42Å; G1805-Q1807 PolarHBondContact O-N 3.2Å; G1805-Q1807 VanDerWaalsContact O-N 3.17Å; Q1807-T1809 VanDerWaalsContact C-N 3.3Å; Q1807-T1809 PolarHBondContact O-N 3.47Å | ||
| 1808 | S | 43.7 | Very low | 53.9 | Low | 107 Ų | 107 | 95 Ų | 95 | 75% | 0.748 | 62% | 0.622 | S | S | * | * | trans | -72.2 | 82.8 | 179 | -169.7 | 0 | 0 | 0 | 0 | 110.9 | L1806 V1810 | L1806-S1808 PolarHBondContact O-N 2.95Å; S1808-V1810 PolarHBondContact O-N 3.28Å | ||
| 1809 | T | 36.5 | Very low | 51.3 | Low | 132 Ų | 132 | 96.6 Ų | 96.6 | 81% | 0.81 | 64% | 0.635 | S | S | * | * | trans | -77.7 | 60.1 | 175.4 | 62.6 | 0 | 0 | 0 | 0 | 111.4 | Q1807 | Q1807-T1809 VanDerWaalsContact C-N 3.3Å; Q1807-T1809 PolarHBondContact O-N 3.47Å | ||
| 1810 | V | 35.6 | Very low | 48.5 | Very low | 120 Ų | 120 | 97.1 Ų | 97.1 | 73% | 0.727 | 64% | 0.644 | S | S | * | * | trans | -115.6 | 109.2 | 169.7 | -177 | 0 | 0 | 0 | 0 | 108.1 | S1808 G1812 | S1808-V1810 PolarHBondContact O-N 3.28Å; V1810-G1812 PolarHBondContact O-N 3.36Å | ||
| 1811 | A | 28.6 | Very low | 45.7 | Very low | 102 Ų | 102 | 103.5 Ų | 103.5 | 84% | 0.843 | 68% | 0.683 | S | S | * | * | trans | -69.4 | 113.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | S1813 | A1811-S1813 PolarHBondContact O-N 2.78Š| ||
| 1812 | G | 31.8 | Very low | 43.1 | Very low | 71 Ų | 71 | 109.9 Ų | 109.9 | 73% | 0.732 | 71% | 0.71 | S | S | * | * | trans | -64.1 | 112.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V1810 G1814 | V1810-G1812 PolarHBondContact O-N 3.36Å; G1812-G1814 PolarHBondContact O-N 3.36Å | ||
| 1813 | S | 29.2 | Very low | 40.4 | Very low | 121 Ų | 121 | 116.7 Ų | 116.7 | 85% | 0.846 | 73% | 0.733 | S | S | * | * | trans | 51.6 | 57.1 | 145.7 | -57.7 | 0 | 0 | 0 | 0 | 118.5 | A1811 V1815 | A1811-S1813 PolarHBondContact O-N 2.78Å; S1813-V1815 PolarHBondContact O-N 2.95Å | ||
| 1814 | G | 34.7 | Very low | 38 | Very low | 80 Ų | 80 | 120.7 Ų | 120.7 | 83% | 0.825 | 76% | 0.757 | S | S | * | * | trans | -72.7 | 97 | 156.3 | 0 | 0 | 0 | 0 | 0 | 112 | G1812 | G1812-G1814 PolarHBondContact O-N 3.36Š| ||
| 1815 | V | 29 | Very low | 35.5 | Very low | 127 Ų | 127 | 124.8 Ų | 124.8 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | 26.4 | 116.7 | 152.6 | -176.9 | 0 | 0 | 0 | 0 | 118.2 | S1813 | S1813-V1815 PolarHBondContact O-N 2.95Š| ||
| 1816 | I | 27.7 | Very low | 33.1 | Very low | 162 Ų | 162 | 128.4 Ų | 128.4 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | trans | 2.7 | 114.8 | 147.3 | -7.7 | 161.6 | 0 | 0 | 0 | 116.7 | ||||
| 1817 | D | 29.2 | Very low | 31.7 | Very low | 170 Ų | 170 | 126.4 Ų | 126.4 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | -160.3 | 154.2 | 121.4 | -130.8 | -30.2 | 0 | 0 | 0 | 111.4 | |||||
| 1818 | G | 28.5 | Very low | 30.3 | Very low | 56 Ų | 56 | 127.4 Ų | 127.4 | 58% | 0.577 | 80% | 0.796 | S | S | * | * | trans | -93.4 | 153.5 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1819 | N | 29.7 | Very low | 29.8 | Very low | 172 Ų | 172 | 128.5 Ų | 128.5 | 92% | 0.92 | 80% | 0.798 | S | S | * | * | trans | -159.1 | 147.9 | 132.9 | -109 | -64 | 0 | 0 | 0 | 113.3 | ||||
| 1820 | V | 24.4 | Very low | 29.3 | Very low | 127 Ų | 127 | 126.6 Ų | 126.6 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | -87.3 | 132.1 | 178.6 | 174.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1821 | T | 28.4 | Very low | 29 | Very low | 137 Ų | 137 | 128.9 Ų | 128.9 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | -176.5 | 160.2 | 129.8 | 23.4 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1822 | E | 29.6 | Very low | 28.9 | Very low | 168 Ų | 168 | 127.1 Ų | 127.1 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | 79.2 | 80.2 | 153.1 | -151.6 | 158.8 | -136.2 | 0 | 0 | 119.2 | T1824 | E1822-T1824 HydrophobicContact CG-CG2 3.87Å; E1822-T1824 PolarHBondContact O-N 3.38Å | ||
| 1823 | M | 24.5 | Very low | 28.8 | Very low | 185 Ų | 185 | 135.5 Ų | 135.5 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | trans | -67.5 | 117.5 | 148.7 | -65.3 | 170.8 | 171.8 | 0 | 0 | 110 | ||||
| 1824 | T | 34.9 | Very low | 28.8 | Very low | 117 Ų | 117 | 134.8 Ų | 134.8 | 72% | 0.718 | 79% | 0.793 | S | S | * | * | trans | -104.2 | 110.8 | 163.1 | 57.1 | 0 | 0 | 0 | 0 | 111 | E1822 | E1822-T1824 HydrophobicContact CG-CG2 3.87Å; E1822-T1824 PolarHBondContact O-N 3.38Å | ||
| 1825 | N | 27.4 | Very low | 28.6 | Very low | 154 Ų | 154 | 138 Ų | 138 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | trans | -65.7 | 152.2 | 179 | -77.6 | -48.5 | 0 | 0 | 0 | 113.6 | ||||
| 1826 | A | 24.9 | Very low | 28.5 | Very low | 89 Ų | 89 | 139.1 Ų | 139.1 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | trans | -68.8 | 148.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1827 | P | 35.8 | Very low | 28.5 | Very low | 120 Ų | 120 | 135 Ų | 135 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | trans | -90.4 | 108.4 | 173.1 | 33.4 | -31.2 | 0 | 0 | 0 | 112.3 | ||||
| 1828 | I | 22.9 | Very low | 28.4 | Very low | 159 Ų | 159 | 138 Ų | 138 | 82% | 0.815 | 78% | 0.781 | S | S | * | * | trans | -82.5 | 113.1 | 166.9 | -61.3 | 174.2 | 0 | 0 | 0 | 109.2 | ||||
| 1829 | V | 31.5 | Very low | 28.8 | Very low | 129 Ų | 129 | 146.2 Ų | 146.2 | 78% | 0.782 | 79% | 0.794 | S | S | * | * | trans | -137.1 | 87.6 | 170.2 | -171.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1830 | S | 27.1 | Very low | 29 | Very low | 92 Ų | 92 | 149 Ų | 149 | 64% | 0.643 | 79% | 0.792 | S | S | * | * | trans | 2.5 | 163.4 | 140.2 | -48.7 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1831 | I | 28.5 | Very low | 29.7 | Very low | 168 Ų | 168 | 152.9 Ų | 152.9 | 86% | 0.862 | 80% | 0.798 | S | S | * | * | trans | 87.1 | 115.7 | 162.7 | -47.8 | 161.7 | 0 | 0 | 0 | 114.5 | ||||
| 1832 | G | 27.9 | Very low | 30 | Very low | 66 Ų | 66 | 156.1 Ų | 156.1 | 68% | 0.68 | 80% | 0.801 | S | S | * | * | cis | 137.3 | 170.4 | 15.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1833 | R | 29.3 | Very low | 30.4 | Very low | 247 Ų | 247 | 153.2 Ų | 153.2 | 93% | 0.932 | 80% | 0.797 | S | S | * | * | trans | 78.8 | 107.9 | 173.7 | -60 | -172.7 | 172.4 | -165.7 | -3.2 | 119 | ||||
| 1834 | S | 29.3 | Very low | 30.9 | Very low | 105 Ų | 105 | 155.4 Ų | 155.4 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | -56.8 | 144.9 | 147.6 | 174.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1835 | L | 30.6 | Very low | 30.7 | Very low | 148 Ų | 148 | 161.7 Ų | 161.7 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | 173.4 | 115.7 | 121.6 | -92.8 | 165.9 | 0 | 0 | 0 | 113.4 | |||||
| 1836 | N | 25.6 | Very low | 31.1 | Very low | 150 Ų | 150 | 165.4 Ų | 165.4 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | trans | 50.1 | 142.7 | 133.6 | -104.1 | -49.8 | 0 | 0 | 0 | 124.1 | ||||
| 1837 | A | 27.6 | Very low | 31.3 | Very low | 76 Ų | 76 | 165.6 Ų | 165.6 | 63% | 0.628 | 81% | 0.809 | S | S | * | * | trans | 80.3 | 98.7 | 147 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1838 | R | 28.9 | Very low | 31.2 | Very low | 234 Ų | 234 | 170 Ų | 170 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | 45.9 | 116.9 | 121.4 | -60.2 | 172.4 | 174 | -174.4 | -2.7 | 118.6 | |||||
| 1839 | R | 35.4 | Very low | 31.4 | Very low | 227 Ų | 227 | 173.7 Ų | 173.7 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | -179.2 | 119.2 | 109 | -96.7 | 157.1 | -172.5 | -153.5 | 3.4 | 116.1 | |||||
| 1840 | R | 33.5 | Very low | 31.6 | Very low | 230 Ų | 230 | 173 Ų | 173 | 87% | 0.868 | 81% | 0.812 | S | S | * | * | trans | 52.6 | 116.7 | 136.4 | -61.5 | 179.3 | 173.8 | -173.5 | -2.8 | 120.4 | ||||
| 1841 | K | 39.7 | Very low | 31.5 | Very low | 210 Ų | 210 | 173.1 Ų | 173.1 | 91% | 0.913 | 81% | 0.813 | S | S | * | * | -161.8 | 102.2 | 126.1 | -106.8 | 164.4 | -174 | 177.3 | 0 | 113 | |||||
| 1842 | K | 35 | Very low | 31.6 | Very low | 205 Ų | 205 | 174.9 Ų | 174.9 | 89% | 0.891 | 81% | 0.808 | S | S | * | * | trans | -106.7 | 150.5 | 146.9 | -80 | -173.8 | 175.1 | 179.2 | 0 | 105.5 | ||||
| 1843 | P | 38.6 | Very low | 31.7 | Very low | 107 Ų | 107 | 181.3 Ų | 181.3 | 70% | 0.695 | 81% | 0.812 | S | S | * | * | -160.2 | -179.8 | 83.1 | 44.5 | -24.9 | 0 | 0 | 0 | 117.9 | |||||
| 1844 | R | 34.8 | Very low | 31.8 | Very low | 231 Ų | 231 | 178 Ų | 178 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | trans | 72.5 | 125.3 | 165.4 | -64.4 | 168.4 | 178.9 | 159.3 | 0.2 | 114.9 | ||||
| 1845 | R | 30.6 | Very low | 31.8 | Very low | 249 Ų | 249 | 181.3 Ų | 181.3 | 94% | 0.94 | 80% | 0.796 | S | S | * | * | cis | 66.5 | 87 | 28.6 | -73.9 | -166.1 | 173 | -171 | -0.8 | 116.4 | ||||
| 1846 | R | 34.9 | Very low | 32 | Very low | 232 Ų | 232 | 178.3 Ų | 178.3 | 88% | 0.875 | 78% | 0.781 | S | S | * | * | trans | -158.9 | 121.7 | 136.5 | -104.2 | 179 | 172.9 | 176.4 | -3.9 | 105 | ||||
| 1847 | A | 29.8 | Very low | 32.2 | Very low | 92 Ų | 92 | 179.3 Ų | 179.3 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | cis | 67.7 | 94.3 | 43.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1848 | Y | 33 | Very low | 32.5 | Very low | 214 Ų | 214 | 184 Ų | 184 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | trans | -137.9 | 115.6 | 157.9 | -122.7 | -82.9 | 0 | 0 | 0 | 109.6 | ||||
| 1849 | R | 28.7 | Very low | 32.8 | Very low | 235 Ų | 235 | 178.9 Ų | 178.9 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | trans | -102.5 | 122.3 | 163.7 | -84 | 178.8 | 167.7 | 172.2 | -5.5 | 107.3 | ||||
| 1850 | T | 34.2 | Very low | 33.2 | Very low | 115 Ų | 115 | 179.2 Ų | 179.2 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | trans | -164.8 | 111.8 | 152.7 | 22.7 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 1851 | S | 26.7 | Very low | 33.2 | Very low | 95 Ų | 95 | 176.7 Ų | 176.7 | 66% | 0.664 | 80% | 0.8 | S | S | * | * | cis | 75.4 | 120.2 | 45.3 | -49.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1852 | R | 30.3 | Very low | 32.8 | Very low | 205 Ų | 205 | 174.9 Ų | 174.9 | 77% | 0.774 | 79% | 0.794 | S | S | * | * | trans | 84.1 | 125.2 | 158.1 | -61.3 | 172.9 | 170 | 177.7 | -2.7 | 119.7 | ||||
| 1853 | R | 28.5 | Very low | 32.7 | Very low | 200 Ų | 200 | 173.3 Ų | 173.3 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | 68.7 | 148.8 | 139.2 | -62.9 | 165.2 | -178 | 179.7 | -4.3 | 115.6 | ||||
| 1854 | R | 33.2 | Very low | 32.4 | Very low | 179 Ų | 179 | 177.2 Ų | 177.2 | 68% | 0.675 | 79% | 0.794 | S | S | * | * | cis | -128.2 | 159.5 | 7.5 | -101.3 | 121.5 | 172.1 | -163.6 | -6.1 | 108.3 | ||||
| 1855 | R | 29.2 | Very low | 32.2 | Very low | 173 Ų | 173 | 173.8 Ų | 173.8 | 65% | 0.653 | 79% | 0.789 | S | S | * | * | cis | 71.3 | 153.4 | 45.2 | -172.5 | -93.4 | -95 | 171 | -21.5 | 111 | ||||
| 1856 | D | 34 | Very low | 32.3 | Very low | 85 Ų | 85 | 168.8 Ų | 168.8 | 46% | 0.455 | 78% | 0.779 | S | S | . | * | trans | 74.8 | 114.4 | -169.2 | -41.3 | -49.6 | 0 | 0 | 0 | 109.7 | ||||
| 1857 | E | 28.8 | Very low | 32.1 | Very low | 171 Ų | 171 | 164.3 Ų | 164.3 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | 76 | 141.2 | 80.1 | -68 | 156.2 | -178.3 | 0 | 0 | 111.3 | |||||
| 1858 | E | 34.2 | Very low | 32.3 | Very low | 175 Ų | 175 | 169.8 Ų | 169.8 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | cis | -153.7 | 179.4 | 15.3 | -140 | 168.7 | -177.4 | 0 | 0 | 111.7 | ||||
| 1859 | T | 34.7 | Very low | 32.3 | Very low | 126 Ų | 126 | 166.2 Ų | 166.2 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | trans | -54.9 | 138.5 | -178.3 | 47.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1860 | N | 44.6 | Very low | 32.6 | Very low | 235 Ų | 235 | 159.9 Ų | 159.9 | 100% | 1.257 | 76% | 0.757 | S | S | * | * | -157.5 | 0 | 116.7 | -141.9 | 28.8 | 0 | 0 | 0 | 110.9 |
Retrieved 1,860 of 1,860 residues in 1593.8 ms
(Link to these results)