| 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 | 32.7 | Very low | 28.6 | Very low | 226 Ų | 226 | 133.5 Ų | 133.5 | 100% | 1.113 | 80% | 0.797 | S | S | * | * | 0 | 103.1 | 0 | -76.7 | 167 | 132.2 | 0 | 0 | 106.6 | |||||
| 2 | Q | 27.5 | Very low | 28.3 | Very low | 192 Ų | 192 | 132.3 Ų | 132.3 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | 67.6 | 128.4 | 117.9 | -70.9 | 178.8 | -28.4 | 0 | 0 | 112.6 | |||||
| 3 | G | 28 | Very low | 28.6 | Very low | 64 Ų | 64 | 132.2 Ų | 132.2 | 66% | 0.66 | 79% | 0.789 | S | S | * | * | cis | -175.2 | 144.9 | 4 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 4 | V | 27.6 | Very low | 28.4 | Very low | 145 Ų | 145 | 132 Ų | 132 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | 75.5 | 100.1 | 107.1 | -177.5 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 5 | C | 25.4 | Very low | 28.3 | Very low | 117 Ų | 117 | 130.9 Ų | 130.9 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | 71.7 | 141.7 | 118.6 | -118.5 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 6 | V | 28.1 | Very low | 28.3 | Very low | 118 Ų | 118 | 129.9 Ų | 129.9 | 72% | 0.715 | 79% | 0.79 | S | S | * | * | trans | 90.2 | 109.4 | 142.8 | -175 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 7 | S | 29.6 | Very low | 28.2 | Very low | 96 Ų | 96 | 126.8 Ų | 126.8 | 67% | 0.671 | 78% | 0.781 | S | S | * | * | trans | 1.5 | 161.3 | 138.5 | 53.9 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 8 | V | 28 | Very low | 28.3 | Very low | 126 Ų | 126 | 128.2 Ų | 128.2 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | trans | 113.4 | 131.5 | 144.7 | -171.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 9 | L | 32.7 | Very low | 28.3 | Very low | 156 Ų | 156 | 128.6 Ų | 128.6 | 82% | 0.817 | 78% | 0.778 | S | S | * | * | trans | -38.7 | 141.3 | 163.4 | -80.9 | 85 | 0 | 0 | 0 | 114.8 | ||||
| 10 | C | 24.6 | Very low | 28.4 | Very low | 117 Ų | 117 | 132.9 Ų | 132.9 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | 178.1 | 118.8 | 134.5 | -110.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 11 | V | 30.2 | Very low | 28.3 | Very low | 111 Ų | 111 | 131.5 Ų | 131.5 | 67% | 0.673 | 78% | 0.777 | S | S | * | * | 53.1 | 115.9 | 87.2 | -175.6 | 0 | 0 | 0 | 0 | 113.5 | I13 | V11-I13 HydrophobicContact CG1-CD1 4.37Š| |||
| 12 | C | 25.2 | Very low | 28 | Very low | 120 Ų | 120 | 124.5 Ų | 124.5 | 81% | 0.811 | 76% | 0.755 | S | S | * | * | trans | 174.1 | 106.4 | 142.5 | -95.6 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 13 | I | 32.3 | Very low | 28.1 | Very low | 131 Ų | 131 | 122.9 Ų | 122.9 | 67% | 0.672 | 75% | 0.75 | S | S | * | * | 47.1 | 112.6 | 68.6 | -51.6 | 179.4 | 0 | 0 | 0 | 113.1 | V11 V15 | V11-I13 HydrophobicContact CG1-CD1 4.37Å; I13-V15 HydrophobicContact CG2-CG2 3.93Å | |||
| 14 | C | 25.6 | Very low | 28 | Very low | 129 Ų | 129 | 124 Ų | 124 | 87% | 0.872 | 75% | 0.748 | S | S | * | * | trans | -152.1 | 102.4 | 144.3 | -93.1 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 15 | V | 26.8 | Very low | 28.1 | Very low | 115 Ų | 115 | 125 Ų | 125 | 70% | 0.697 | 74% | 0.744 | S | S | * | * | 73 | 110.1 | 74.8 | 179.2 | 0 | 0 | 0 | 0 | 113.5 | I13 A17 | I13-V15 HydrophobicContact CG2-CG2 3.93Å; V15-A17 HydrophobicContact CG1-CB 4.47Å | |||
| 16 | S | 27.6 | Very low | 28.8 | Very low | 116 Ų | 116 | 124.7 Ų | 124.7 | 81% | 0.811 | 74% | 0.743 | S | S | * | * | trans | -156.1 | 93.9 | 133.7 | 27.1 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 17 | A | 28.2 | Very low | 28.9 | Very low | 77 Ų | 77 | 127.4 Ų | 127.4 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | 60.1 | 112.4 | 85.2 | 0 | 0 | 0 | 0 | 0 | 112 | V15 | V15-A17 HydrophobicContact CG1-CB 4.47Š| |||
| 18 | L | 28.9 | Very low | 29.6 | Very low | 152 Ų | 152 | 129 Ų | 129 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | 172.2 | 121.1 | 103.2 | -82.9 | 160.9 | 0 | 0 | 0 | 110.8 | |||||
| 19 | L | 27.8 | Very low | 29.6 | Very low | 136 Ų | 136 | 130.1 Ų | 130.1 | 71% | 0.712 | 75% | 0.747 | S | S | * | * | trans | 57.9 | 119.5 | 132.5 | -78.4 | 157.1 | 0 | 0 | 0 | 117.9 | ||||
| 20 | R | 30.7 | Very low | 29.7 | Very low | 214 Ų | 214 | 128.6 Ų | 128.6 | 81% | 0.808 | 74% | 0.744 | S | S | * | * | cis | -159.6 | 127.3 | 36.5 | -84.9 | 174.6 | -177.3 | -159 | -1.5 | 107.5 | ||||
| 21 | S | 27.2 | Very low | 30 | Very low | 104 Ų | 104 | 131.1 Ų | 131.1 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | 48.8 | 128 | 86.6 | 68 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 22 | A | 26.3 | Very low | 30.7 | Very low | 79 Ų | 79 | 131.6 Ų | 131.6 | 65% | 0.653 | 74% | 0.742 | S | S | * | * | cis | -165.1 | 136 | 24.7 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 23 | I | 29 | Very low | 31.6 | Very low | 157 Ų | 157 | 130.3 Ų | 130.3 | 81% | 0.805 | 73% | 0.727 | S | S | * | * | 81.8 | 135 | 96.2 | -61.5 | 170.8 | 0 | 0 | 0 | 114.7 | |||||
| 24 | S | 26.2 | Very low | 32.7 | Very low | 88 Ų | 88 | 127.7 Ų | 127.7 | 62% | 0.615 | 72% | 0.717 | S | S | * | * | trans | 88.4 | 102.8 | 150.7 | -92.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 25 | Q | 29.8 | Very low | 34.3 | Very low | 167 Ų | 167 | 128.6 Ų | 128.6 | 78% | 0.78 | 71% | 0.709 | S | S | * | * | 53.2 | 116.3 | 107.2 | -71.8 | -175.4 | -8.8 | 0 | 0 | 117.6 | |||||
| 26 | S | 40.1 | Very low | 36.3 | Very low | 110 Ų | 110 | 124.5 Ų | 124.5 | 77% | 0.769 | 68% | 0.684 | S | S | * | * | trans | 39.6 | 96.9 | 138.1 | 62.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 27 | H | 30.1 | Very low | 38.4 | Very low | 175 Ų | 175 | 123.9 Ų | 123.9 | 81% | 0.81 | 68% | 0.676 | S | S | * | * | trans | -124.5 | 116.9 | 147.9 | -120.3 | -78.3 | 0 | 0 | 0 | 108.9 | K29 | H27-K29 PolarHBondContact O-N 3.21Š| ||
| 28 | V | 43.8 | Very low | 40.2 | Very low | 129 Ų | 129 | 128 Ų | 128 | 78% | 0.782 | 69% | 0.687 | S | S | * | * | trans | -45.3 | 111.1 | 150.3 | 173.9 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 29 | K | 29.1 | Very low | 42 | Very low | 149 Ų | 149 | 121.5 Ų | 121.5 | 65% | 0.648 | 66% | 0.657 | S | S | * | * | trans | -102.4 | 104.3 | 161 | -90.3 | -175 | 175.5 | -178 | 0 | 106.4 | H27 Y31 | H27-K29 PolarHBondContact O-N 3.21Å; K29-Y31 HydrophobicContact CB-CD2 3.99Å; K29-Y31 HydrophobicContact CB-CE2 3.72Å; K29-Y31 HydrophobicContact CD-CE2 4.29Å; K29-Y31 WeakPolarHBondContact O-CD2 3.49Å; K29-Y31 PolarHBondContact O-N 3.28Å | ||
| 30 | T | 35.4 | Very low | 44.4 | Very low | 124 Ų | 124 | 118 Ų | 118 | 76% | 0.761 | 64% | 0.635 | S | S | * | * | trans | -49.3 | 104.7 | 149.3 | 39.8 | 0 | 0 | 0 | 0 | 108.1 | T32 | T30-T32 PolarHBondContact O-N 2.97Š| ||
| 31 | Y | 29.4 | Very low | 46.7 | Very low | 170 Ų | 170 | 112 Ų | 112 | 67% | 0.667 | 62% | 0.616 | S | S | * | * | trans | -87.7 | 93.3 | 165.8 | -81.1 | -91.9 | 0 | 0 | 0 | 107.2 | K29 N33 | K29-Y31 HydrophobicContact CB-CD2 3.99Å; K29-Y31 HydrophobicContact CB-CE2 3.72Å; K29-Y31 HydrophobicContact CD-CE2 4.29Å; K29-Y31 WeakPolarHBondContact O-CD2 3.49Å; K29-Y31 PolarHBondContact O-N 3.28Å; Y31-N33 PolarHBondContact O-N 3.16Å | ||
| 32 | T | 44.4 | Very low | 49.1 | Very low | 122 Ų | 122 | 111.3 Ų | 111.3 | 75% | 0.748 | 60% | 0.597 | S | S | * | * | trans | -70 | 84.9 | 148.9 | 46.7 | 0 | 0 | 0 | 0 | 105.9 | T30 T34 | T30-T32 PolarHBondContact O-N 2.97Å; T32-T34 PolarHBondContact O-N 2.9Å | ||
| 33 | N | 44.1 | Very low | 51.5 | Low | 92 Ų | 92 | 109 Ų | 109 | 49% | 0.492 | 57% | 0.574 | S | S | . | * | trans | -79.7 | 77.3 | 176 | -124.9 | 41.9 | 0 | 0 | 0 | 108.8 | Y31 E35 | Y31-N33 PolarHBondContact O-N 3.16Å; N33-E35 PolarHBondContact ND2-OE2 3.39Å; N33-E35 PolarHBondContact O-N 2.94Å; N33-E35 VanDerWaalsContact O-N 3.16Å; N33-E35 PolarHBondContact OD1-OE2 2.99Å | ||
| 34 | T | 57 | Low | 53.1 | Low | 77 Ų | 77 | 106.1 Ų | 106.1 | 47% | 0.472 | 57% | 0.566 | S | S | . | * | trans | -80.8 | 57.3 | 158.2 | 50.1 | 0 | 0 | 0 | 0 | 108.4 | T32 W42 | T32-T34 PolarHBondContact O-N 2.9Å; T34-W42 HydrophobicContact CG2-CD2 3.9Å; T34-W42 HydrophobicContact CG2-CG 4.06Å; T34-W42 HydrophobicContact CG2-CZ2 4.01Å | ||
| 35 | E | 59.1 | Low | 55.2 | Low | 148 Ų | 148 | 109.8 Ų | 109.8 | 69% | 0.692 | 58% | 0.577 | S | S | * | * | trans | -111.3 | 107.1 | 177.2 | -72.8 | -174.8 | 160.6 | 0 | 0 | 108 | N33 | N33-E35 PolarHBondContact ND2-OE2 3.39Å; N33-E35 PolarHBondContact O-N 2.94Å; N33-E35 VanDerWaalsContact O-N 3.16Å; N33-E35 PolarHBondContact OD1-OE2 2.99Å | ||
| 36 | C | 68.4 | Low | 57.3 | Low | 28 Ų | 28 | 104.6 Ų | 104.6 | 19% | 0.189 | 56% | 0.557 | C | S | . | * | P | Polyproline II helix | trans | -84.8 | 150.8 | 170.4 | -62.7 | 0 | 0 | 0 | 0 | 109.7 | Y40 W42 C49 | C36-Y40 WeakPolarHBondContact CB-O 3.45Å; C36-W42 PolarHBondContact SG-N 2.91Å; C36-C49 WeakPolarHBondContact CA-SG 3.44Å; C36-C49 HydrophobicContact CB-CB 3.76Å; C36-C49 WeakPolarHBondContact CB-SG 3.07Å; C36-C49 WeakPolarHBondContact SG-CA 3.45Å; C36-C49 WeakPolarHBondContact SG-CB 3.02Å; C36-C49 CovalentContact SG-SG 2.03Å; C36-C49 PolarHBondContact SG-SG 3.48Å |
| 37 | T | 71.5 | Confident | 58.6 | Low | 104 Ų | 104 | 106.3 Ų | 106.3 | 64% | 0.638 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 151 | 171.6 | 47.9 | 0 | 0 | 0 | 0 | 110.8 | G39 Y40 | T37-G39 PolarHBondContact O-N 3.01Å; T37-Y40 PolarHBondContact O-N 3.16Å |
| 38 | D | 65.9 | Low | 60.8 | Low | 163 Ų | 163 | 104.4 Ų | 104.4 | 87% | 0.872 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.8 | 132.1 | 176.9 | -68.2 | -24.9 | 0 | 0 | 0 | 111 | ||
| 39 | G | 67.1 | Low | 62.3 | Low | 15 Ų | 15 | 100.8 Ų | 100.8 | 16% | 0.155 | 52% | 0.524 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 95.7 | -3.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | T37 I52 | T37-G39 PolarHBondContact O-N 3.01Å; G39-I52 PolarHBondContact O-N 3.05Å |
| 40 | Y | 77.4 | Confident | 64.6 | Low | 63 Ų | 63 | 98 Ų | 98 | 25% | 0.247 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 145.9 | 177 | -62.1 | -101.4 | 0 | 0 | 0 | 111.5 | C36 T37 K50 D51 G73 | C36-Y40 WeakPolarHBondContact CB-O 3.45Å; T37-Y40 PolarHBondContact O-N 3.16Å; Y40-K50 CarbonylContact C-O 3.6Å; Y40-K50 WeakPolarHBondContact CA-O 3.33Å; Y40-D51 VanDerWaalsContact CD1-CA 3.47Å; Y40-D51 HydrophobicContact CD1-CB 4.09Å; Y40-D51 HydrophobicContact CE1-CB 3.92Å; Y40-G73 VanDerWaalsContact CZ-CA 3.46Å; Y40-G73 VanDerWaalsContact CZ-N 3.33Å; Y40-G73 WeakPolarHBondContact OH-CA 3.31Å; Y40-G73 PolarHBondContact OH-N 3.2Å |
| 41 | H | 78.8 | Confident | 66.5 | Low | 89 Ų | 89 | 94 Ų | 94 | 41% | 0.412 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 147 | 173.9 | 76.9 | -66.9 | 0 | 0 | 0 | 110.8 | D43 C49 K50 I52 | H41-D43 PolarHBondContact O-N 3.22Å; H41-C49 WeakPolarHBondContact O-CA 3.36Å; H41-K50 PolarHBondContact N-O 2.89Å; H41-K50 PolarHBondContact ND1-O 3.22Å; H41-K50 PolarHBondContact O-N 3.42Å; H41-I52 HydrophobicContact CB-CD1 4Å; H41-I52 HydrophobicContact CB-CG1 3.82Å |
| 42 | W | 77.9 | Confident | 68.9 | Low | 88 Ų | 88 | 88.2 Ų | 88.2 | 33% | 0.333 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 122.8 | 178.1 | -178.4 | -99.5 | 0 | 0 | 0 | 110.5 | T34 C36 P44 E47 | T34-W42 HydrophobicContact CG2-CD2 3.9Å; T34-W42 HydrophobicContact CG2-CG 4.06Å; T34-W42 HydrophobicContact CG2-CZ2 4.01Å; C36-W42 PolarHBondContact SG-N 2.91Å; W42-P44 WeakPolarHBondContact O-CD 3.42Å; W42-E47 HydrophobicContact CH2-CB 4.19Å; W42-E47 WeakPolarHBondContact CH2-O 3.49Å; W42-E47 HydrophobicContact CZ2-CB 4Å; W42-E47 HydrophobicContact CZ2-CG 4.47Å |
| 43 | D | 77.8 | Confident | 70.5 | Confident | 31 Ų | 31 | 84.6 Ų | 84.6 | 17% | 0.166 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 108 | 170.8 | -174.4 | -15.7 | 0 | 0 | 0 | 110 | H41 L45 T46 E47 H48 K50 | H41-D43 PolarHBondContact O-N 3.22Å; D43-L45 PolarHBondContact O-N 3.22Å; D43-L45 WeakPolarHBondContact OD1-CB 3.37Å; D43-L45 PolarHBondContact OD1-N 3.19Å; D43-T46 PolarHBondContact O-N 2.91Å; D43-E47 PolarHBondContact O-N 3.05Å; D43-H48 PolarHBondContact N-O 3.1Å; D43-H48 VanDerWaalsContact N-O 3.12Å; D43-K50 HydrophobicContact CB-CD 3.93Å; D43-K50 HydrophobicContact CB-CG 4.2Å; D43-K50 WeakPolarHBondContact OD2-CD 3.27Å; D43-K50 VanDerWaalsContact OD2-CE 3.23Å; D43-K50 WeakPolarHBondContact OD2-CE 3.45Å; D43-K50 IonicContact OD2-NZ 3.06Å; D43-K50 PolarHBondContact OD2-NZ 2.79Å |
| 44 | P | 62.2 | Low | 72.3 | Confident | 97 Ų | 97 | 81 Ų | 81 | 63% | 0.63 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -9.9 | -177.5 | 28.3 | -33.5 | 0 | 0 | 0 | 114.2 | W42 | W42-P44 WeakPolarHBondContact O-CD 3.42Š|
| 45 | L | 70.2 | Confident | 73.3 | Confident | 164 Ų | 164 | 79.2 Ų | 79.2 | 86% | 0.859 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -32.7 | 172.9 | -111.4 | 85 | 0 | 0 | 0 | 112.8 | D43 | D43-L45 PolarHBondContact O-N 3.22Å; D43-L45 WeakPolarHBondContact OD1-CB 3.37Å; D43-L45 PolarHBondContact OD1-N 3.19Å |
| 46 | T | 73.3 | Confident | 74.3 | Confident | 59 Ų | 59 | 80 Ų | 80 | 36% | 0.362 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | -2.6 | -177.4 | 58.4 | 0 | 0 | 0 | 0 | 113.7 | D43 H48 K50 | D43-T46 PolarHBondContact O-N 2.91Å; T46-H48 PolarHBondContact O-CD2 3.49Å; T46-H48 PolarHBondContact O-N 3.41Å; T46-H48 VanDerWaalsContact O-N 3.1Å; T46-K50 WeakPolarHBondContact OG1-CE 3.06Å |
| 47 | E | 67.3 | Low | 74.7 | Confident | 146 Ų | 146 | 82.9 Ų | 82.9 | 68% | 0.682 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 34.2 | -177.1 | -60.1 | -173.5 | 171.9 | 0 | 0 | 113.3 | W42 D43 | W42-E47 HydrophobicContact CH2-CB 4.19Å; W42-E47 WeakPolarHBondContact CH2-O 3.49Å; W42-E47 HydrophobicContact CZ2-CB 4Å; W42-E47 HydrophobicContact CZ2-CG 4.47Å; D43-E47 PolarHBondContact O-N 3.05Å |
| 48 | H | 77.3 | Confident | 74.8 | Confident | 134 Ų | 134 | 81.5 Ų | 81.5 | 62% | 0.62 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 151.6 | -179 | -74.1 | -53.3 | 0 | 0 | 0 | 110.9 | D43 T46 K50 | D43-H48 PolarHBondContact N-O 3.1Å; D43-H48 VanDerWaalsContact N-O 3.12Å; T46-H48 PolarHBondContact O-CD2 3.49Å; T46-H48 PolarHBondContact O-N 3.41Å; T46-H48 VanDerWaalsContact O-N 3.1Å; H48-K50 PolarHBondContact O-N 2.04Å |
| 49 | C | 73.8 | Confident | 74.7 | Confident | 54 Ų | 54 | 79.5 Ų | 79.5 | 37% | 0.365 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 119.4 | 172.6 | -65.7 | 0 | 0 | 0 | 0 | 109.9 | C36 H41 | C36-C49 WeakPolarHBondContact CA-SG 3.44Å; C36-C49 HydrophobicContact CB-CB 3.76Å; C36-C49 WeakPolarHBondContact CB-SG 3.07Å; C36-C49 WeakPolarHBondContact SG-CA 3.45Å; C36-C49 WeakPolarHBondContact SG-CB 3.02Å; C36-C49 CovalentContact SG-SG 2.03Å; C36-C49 PolarHBondContact SG-SG 3.48Å; H41-C49 WeakPolarHBondContact O-CA 3.36Å |
| 50 | K | 77.4 | Confident | 74.9 | Confident | 91 Ų | 91 | 85.9 Ų | 85.9 | 40% | 0.396 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 137.6 | 174.3 | -74.6 | -173.9 | 179.2 | 169.9 | 0 | 110.1 | Y40 H41 D43 T46 H48 I52 | Y40-K50 CarbonylContact C-O 3.6Å; Y40-K50 WeakPolarHBondContact CA-O 3.33Å; H41-K50 PolarHBondContact N-O 2.89Å; H41-K50 PolarHBondContact ND1-O 3.22Å; H41-K50 PolarHBondContact O-N 3.42Å; D43-K50 HydrophobicContact CB-CD 3.93Å; D43-K50 HydrophobicContact CB-CG 4.2Å; D43-K50 WeakPolarHBondContact OD2-CD 3.27Å; D43-K50 VanDerWaalsContact OD2-CE 3.23Å; D43-K50 WeakPolarHBondContact OD2-CE 3.45Å; D43-K50 IonicContact OD2-NZ 3.06Å; D43-K50 PolarHBondContact OD2-NZ 2.79Å; T46-K50 WeakPolarHBondContact OG1-CE 3.06Å; H48-K50 PolarHBondContact O-N 2.04Å; K50-I52 PolarHBondContact O-N 2.02Å |
| 51 | D | 77.1 | Confident | 74.4 | Confident | 38 Ų | 38 | 83.7 Ų | 83.7 | 20% | 0.203 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.1 | 132.2 | 175.2 | -174.3 | 66.7 | 0 | 0 | 0 | 110.8 | Y40 N70 H71 G73 | Y40-D51 VanDerWaalsContact CD1-CA 3.47Å; Y40-D51 HydrophobicContact CD1-CB 4.09Å; Y40-D51 HydrophobicContact CE1-CB 3.92Å; D51-N70 PolarHBondContact OD2-ND2 3.25Å; D51-H71 VanDerWaalsContact OD1-O 3.14Å; D51-G73 PolarHBondContact OD1-N 2.81Å |
| 52 | I | 78.9 | Confident | 74.3 | Confident | 49 Ų | 49 | 80.3 Ų | 80.3 | 25% | 0.251 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -84.7 | 126.8 | 175.2 | -64.9 | 170.3 | 0 | 0 | 0 | 107 | G39 H41 K50 E54 T57 N70 | G39-I52 PolarHBondContact O-N 3.05Å; H41-I52 HydrophobicContact CB-CD1 4Å; H41-I52 HydrophobicContact CB-CG1 3.82Å; K50-I52 PolarHBondContact O-N 2.02Å; I52-E54 HydrophobicContact CG2-CG 4.41Å; I52-E54 PolarHBondContact O-N 3.44Å; I52-T57 HydrophobicContact CG2-CG2 4.32Å; I52-N70 PolarHBondContact O-OD1 3.31Å |
| 53 | N | 78.4 | Confident | 73.9 | Confident | 46 Ų | 46 | 85.3 Ų | 85.3 | 25% | 0.246 | 45% | 0.453 | C | S | . | . | trans | -76.2 | 93.2 | 171.9 | -173.6 | -6.5 | 0 | 0 | 0 | 110.2 | C55 E56 T57 N70 | N53-C55 PolarHBondContact O-N 3.41Å; N53-C55 WeakPolarHBondContact OD1-CB 3.48Å; N53-C55 PolarHBondContact OD1-N 2.96Å; N53-E56 VanDerWaalsContact ND2-CD 3.3Å; N53-E56 PolarHBondContact ND2-OE1 3.35Å; N53-E56 PolarHBondContact O-N 2.94Å; N53-T57 PolarHBondContact O-N 3.06Å; N53-T57 PolarHBondContact O-OG1 2.81Å; N53-N70 WeakPolarHBondContact CA-OD1 3.46Å | ||
| 54 | E | 82.2 | Confident | 73.6 | Confident | 17 Ų | 17 | 87.3 Ų | 87.3 | 8% | 0.079 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -67.7 | -21.9 | -177.8 | -62.1 | 88.7 | 177.1 | 0 | 0 | 113.1 | I52 E56 T57 I58 N70 G74 Y75 | I52-E54 HydrophobicContact CG2-CG 4.41Å; I52-E54 PolarHBondContact O-N 3.44Å; E54-E56 PolarHBondContact O-N 2.8Å; E54-T57 VanDerWaalsContact CA-OG1 3.3Å; E54-T57 WeakPolarHBondContact CA-OG1 3.39Å; E54-T57 PolarHBondContact O-N 2.93Å; E54-I58 HydrophobicContact CB-CD1 3.92Å; E54-I58 HydrophobicContact CB-CG1 4.26Å; E54-I58 HydrophobicContact CG-CD1 4.16Å; E54-I58 WeakPolarHBondContact O-CB 2.96Å; E54-I58 PolarHBondContact O-N 2.04Å; E54-N70 PolarHBondContact OE2-OD1 2.86Å; E54-G74 WeakPolarHBondContact OE1-CA 3Å; E54-G74 VanDerWaalsContact OE2-CA 3.29Å; E54-G74 WeakPolarHBondContact OE2-CA 3.47Å; E54-Y75 HydrophobicContact CB-CD1 3.38Å; E54-Y75 HydrophobicContact CB-CE1 4.07Å; E54-Y75 HydrophobicContact CB-CG 4.03Å; E54-Y75 HydrophobicContact CG-CD1 3.93Å; E54-Y75 PolarHBondContact OE2-N 3.42Å |
| 55 | C | 78.4 | Confident | 73.9 | Confident | 39 Ų | 39 | 90.3 Ų | 90.3 | 26% | 0.264 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.2 | -22.7 | 176 | -59.9 | 0 | 0 | 0 | 0 | 113.2 | N53 C68 F69 | N53-C55 PolarHBondContact O-N 3.41Å; N53-C55 WeakPolarHBondContact OD1-CB 3.48Å; N53-C55 PolarHBondContact OD1-N 2.96Å; C55-C68 WeakPolarHBondContact CA-SG 3.3Å; C55-C68 HydrophobicContact CB-CB 3.77Å; C55-C68 WeakPolarHBondContact CB-SG 3.04Å; C55-C68 WeakPolarHBondContact SG-CB 3.41Å; C55-C68 CovalentContact SG-SG 2.04Å; C55-C68 PolarHBondContact SG-SG 3.36Å; C55-F69 PolarHBondContact SG-N 2.75Å; C55-F69 VanDerWaalsContact SG-N 3.41Å |
| 56 | E | 79.9 | Confident | 74.2 | Confident | 164 Ų | 164 | 85.9 Ų | 85.9 | 77% | 0.766 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -100.2 | -27 | 176.2 | -70.2 | -178.3 | 178.3 | 0 | 0 | 112.5 | N53 E54 | N53-E56 VanDerWaalsContact ND2-CD 3.3Å; N53-E56 PolarHBondContact ND2-OE1 3.35Å; N53-E56 PolarHBondContact O-N 2.94Å; E54-E56 PolarHBondContact O-N 2.8Å |
| 57 | T | 75.4 | Confident | 74.5 | Confident | 90 Ų | 90 | 88.9 Ų | 88.9 | 55% | 0.552 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -94.9 | -21.6 | -173.9 | 51.4 | 0 | 0 | 0 | 0 | 113.9 | I52 N53 E54 | I52-T57 HydrophobicContact CG2-CG2 4.32Å; N53-T57 PolarHBondContact O-N 3.06Å; N53-T57 PolarHBondContact O-OG1 2.81Å; E54-T57 VanDerWaalsContact CA-OG1 3.3Å; E54-T57 WeakPolarHBondContact CA-OG1 3.39Å; E54-T57 PolarHBondContact O-N 2.93Å |
| 58 | I | 73.6 | Confident | 75.1 | Confident | 75 Ų | 75 | 83.4 Ų | 83.4 | 39% | 0.385 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -108.6 | 110.7 | 176.4 | -53.5 | -179.5 | 0 | 0 | 0 | 110 | E54 D60 A61 Y75 | E54-I58 HydrophobicContact CB-CD1 3.92Å; E54-I58 HydrophobicContact CB-CG1 4.26Å; E54-I58 HydrophobicContact CG-CD1 4.16Å; E54-I58 WeakPolarHBondContact O-CB 2.96Å; E54-I58 PolarHBondContact O-N 2.04Å; I58-D60 PolarHBondContact O-N 2.92Å; I58-A61 HydrophobicContact CB-CB 4.1Å; I58-A61 HydrophobicContact CG2-CB 4.29Å; I58-A61 PolarHBondContact O-N 2.7Å; I58-Y75 HydrophobicContact CD1-CE1 4.29Å |
| 59 | P | 64.6 | Low | 75.2 | Confident | 121 Ų | 121 | 81.4 Ų | 81.4 | 79% | 0.786 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 127.9 | 174 | -18.4 | 30 | 0 | 0 | 0 | 110.5 | A61 | P59-A61 PolarHBondContact O-N 3.16Š|
| 60 | D | 70 | Confident | 75.2 | Confident | 149 Ų | 149 | 82 Ų | 82 | 80% | 0.797 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 42.2 | -175.5 | -62.1 | -35.8 | 0 | 0 | 0 | 114.3 | I58 C62 | I58-D60 PolarHBondContact O-N 2.92Å; D60-C62 PolarHBondContact O-N 2.85Å |
| 61 | A | 68.7 | Low | 75.3 | Confident | 16 Ų | 16 | 83.6 Ų | 83.6 | 13% | 0.132 | 45% | 0.445 | C | S | . | . | trans | -47.1 | -34.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | I58 P59 Y75 | I58-A61 HydrophobicContact CB-CB 4.1Å; I58-A61 HydrophobicContact CG2-CB 4.29Å; I58-A61 PolarHBondContact O-N 2.7Å; P59-A61 PolarHBondContact O-N 3.16Å; A61-Y75 HydrophobicContact CB-CD2 4.15Å; A61-Y75 HydrophobicContact CB-CE2 3.86Å; A61-Y75 VanDerWaalsContact O-CE2 3.25Å; A61-Y75 WeakPolarHBondContact O-CE2 3.24Å; A61-Y75 PolarHBondContact O-OH 3.07Å | ||
| 62 | C | 75.1 | Confident | 75.3 | Confident | 19 Ų | 19 | 90.9 Ų | 90.9 | 13% | 0.128 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -114.4 | 125.6 | 174.5 | -59 | 0 | 0 | 0 | 0 | 111.3 | D60 M66 C68 C77 | D60-C62 PolarHBondContact O-N 2.85Å; C62-M66 HydrophobicContact CB-CB 3.99Å; C62-C68 VanDerWaalsContact SG-CA 3.55Å; C62-C68 VanDerWaalsContact SG-CB 3.52Å; C62-C77 VanDerWaalsContact CA-SG 3.55Å; C62-C77 HydrophobicContact CB-CB 3.8Å; C62-C77 WeakPolarHBondContact CB-SG 3.42Å; C62-C77 VanDerWaalsContact SG-CA 3.51Å; C62-C77 WeakPolarHBondContact SG-CB 3.2Å; C62-C77 CovalentContact SG-SG 2.02Å; C62-C77 PolarHBondContact SG-SG 2.88Å |
| 63 | K | 69.9 | Low | 74.7 | Confident | 193 Ų | 193 | 90.1 Ų | 90.1 | 84% | 0.839 | 48% | 0.476 | S | S | * | . | trans | -83.7 | 140 | 176.1 | -68.2 | -179 | -179.9 | 177.3 | 0 | 111.7 | ||||
| 64 | G | 72.4 | Confident | 74.7 | Confident | 73 Ų | 73 | 88.8 Ų | 88.8 | 75% | 0.753 | 47% | 0.473 | S | S | * | . | S | Bend | trans | 89.2 | -149.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | M66 | G64-M66 PolarHBondContact O-N 2.82Å; G64-M66 VanDerWaalsContact O-N 3.17Å |
| 65 | E | 68.8 | Low | 74.7 | Confident | 159 Ų | 159 | 92.5 Ų | 92.5 | 74% | 0.743 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -84.2 | 30.6 | 179.8 | -62.1 | -168.2 | 162.3 | 0 | 0 | 113.9 | R80 | E65-R80 PolarHBondContact O-N 2.75Š|
| 66 | M | 75.9 | Confident | 74.6 | Confident | 71 Ų | 71 | 95.2 Ų | 95.2 | 35% | 0.35 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 138.2 | -175.6 | -58.2 | -71.5 | -84.9 | 0 | 0 | 110.3 | C62 G64 C77 L78 P79 | C62-M66 HydrophobicContact CB-CB 3.99Å; G64-M66 PolarHBondContact O-N 2.82Å; G64-M66 VanDerWaalsContact O-N 3.17Å; M66-C77 HydrophobicContact CB-CB 4.18Å; M66-C77 HydrophobicContact CE-CB 4.15Å; M66-C77 WeakPolarHBondContact CE-O 3.26Å; M66-L78 CarbonylContact C-O 3.56Å; M66-L78 WeakPolarHBondContact CA-O 3.44Å; M66-P79 VanDerWaalsContact SD-CA 3.53Å; M66-P79 HydrophobicContact SD-CB 3.76Å; M66-P79 HydrophobicContact SD-CG 4.31Å; M66-P79 VanDerWaalsContact SD-N 3.4Å |
| 67 | K | 80.3 | Confident | 74.6 | Confident | 122 Ų | 122 | 89.3 Ų | 89.3 | 53% | 0.53 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 133.8 | 174.4 | -168.7 | 177.1 | -179.8 | -174.8 | 0 | 109.7 | F69 L78 | K67-F69 HydrophobicContact CB-CE2 4.06Å; K67-F69 HydrophobicContact CD-CE2 4.39Å; K67-F69 HydrophobicContact CD-CZ 4.1Å; K67-F69 HydrophobicContact CG-CE2 4.22Å; K67-F69 HydrophobicContact CG-CZ 4.4Å; K67-F69 WeakPolarHBondContact O-CD2 3.05Å; K67-L78 PolarHBondContact N-O 3.4Å; K67-L78 PolarHBondContact O-N 2.87Å |
| 68 | C | 78.9 | Confident | 74.4 | Confident | 31 Ų | 31 | 87.8 Ų | 87.8 | 21% | 0.209 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 136.8 | 177.3 | -168.4 | 0 | 0 | 0 | 0 | 111.1 | C55 C62 Y75 | C55-C68 WeakPolarHBondContact CA-SG 3.3Å; C55-C68 HydrophobicContact CB-CB 3.77Å; C55-C68 WeakPolarHBondContact CB-SG 3.04Å; C55-C68 WeakPolarHBondContact SG-CB 3.41Å; C55-C68 CovalentContact SG-SG 2.04Å; C55-C68 PolarHBondContact SG-SG 3.36Å; C62-C68 VanDerWaalsContact SG-CA 3.55Å; C62-C68 VanDerWaalsContact SG-CB 3.52Å; C68-Y75 VanDerWaalsContact SG-CD2 3.59Å |
| 69 | F | 79.1 | Confident | 74.2 | Confident | 92 Ų | 92 | 87 Ų | 87 | 40% | 0.404 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 128.9 | 172.1 | -66 | -91.9 | 0 | 0 | 0 | 109.5 | C55 K67 Y75 L76 L78 | C55-F69 PolarHBondContact SG-N 2.75Å; C55-F69 VanDerWaalsContact SG-N 3.41Å; K67-F69 HydrophobicContact CB-CE2 4.06Å; K67-F69 HydrophobicContact CD-CE2 4.39Å; K67-F69 HydrophobicContact CD-CZ 4.1Å; K67-F69 HydrophobicContact CG-CE2 4.22Å; K67-F69 HydrophobicContact CG-CZ 4.4Å; K67-F69 WeakPolarHBondContact O-CD2 3.05Å; F69-Y75 WeakPolarHBondContact O-CA 3.19Å; F69-L76 PolarHBondContact N-O 3.35Å; F69-L76 PolarHBondContact O-N 3.05Å; F69-L78 HydrophobicContact CD2-CB 4.3Å; F69-L78 HydrophobicContact CD2-CD1 4.17Å; F69-L78 HydrophobicContact CD2-CG 4.42Å; F69-L78 HydrophobicContact CE2-CB 4.04Å; F69-L78 HydrophobicContact CE2-CD1 4.21Å |
| 70 | N | 73.5 | Confident | 74.1 | Confident | 68 Ų | 68 | 90.7 Ų | 90.7 | 36% | 0.364 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 138.9 | 176.7 | -164.3 | 43.9 | 0 | 0 | 0 | 111 | D51 I52 N53 E54 | D51-N70 PolarHBondContact OD2-ND2 3.25Å; I52-N70 PolarHBondContact O-OD1 3.31Å; N53-N70 WeakPolarHBondContact CA-OD1 3.46Å; E54-N70 PolarHBondContact OE2-OD1 2.86Å |
| 71 | H | 80.4 | Confident | 73.7 | Confident | 124 Ų | 124 | 88.6 Ų | 88.6 | 57% | 0.574 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 160.8 | 179.2 | -165.8 | 63.6 | 0 | 0 | 0 | 110.2 | D51 G73 G74 | D51-H71 VanDerWaalsContact OD1-O 3.14Å; H71-G73 PolarHBondContact O-N 2.75Å; H71-G74 CarbonylContact C-O 3.54Å; H71-G74 VanDerWaalsContact C-O 3.29Å; H71-G74 WeakPolarHBondContact CA-O 3.14Å; H71-G74 PolarHBondContact N-O 2.6Å; H71-G74 PolarHBondContact O-N 3.39Å; H71-G74 VanDerWaalsContact O-N 3.14Å |
| 72 | Y | 75.8 | Confident | 72.7 | Confident | 190 Ų | 190 | 90.5 Ų | 90.5 | 75% | 0.745 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 112.5 | -177.6 | -68.1 | -74.9 | 0 | 0 | 0 | 111.2 | ||
| 73 | G | 68.1 | Low | 71.4 | Confident | 33 Ų | 33 | 95 Ų | 95 | 34% | 0.34 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | 18.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y40 D51 H71 | Y40-G73 VanDerWaalsContact CZ-CA 3.46Å; Y40-G73 VanDerWaalsContact CZ-N 3.33Å; Y40-G73 WeakPolarHBondContact OH-CA 3.31Å; Y40-G73 PolarHBondContact OH-N 3.2Å; D51-G73 PolarHBondContact OD1-N 2.81Å; H71-G73 PolarHBondContact O-N 2.75Å |
| 74 | G | 78.5 | Confident | 70.2 | Confident | 19 Ų | 19 | 91.6 Ų | 91.6 | 20% | 0.196 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.1 | -165.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114 | E54 H71 | E54-G74 WeakPolarHBondContact OE1-CA 3Å; E54-G74 VanDerWaalsContact OE2-CA 3.29Å; E54-G74 WeakPolarHBondContact OE2-CA 3.47Å; H71-G74 CarbonylContact C-O 3.54Å; H71-G74 VanDerWaalsContact C-O 3.29Å; H71-G74 WeakPolarHBondContact CA-O 3.14Å; H71-G74 PolarHBondContact N-O 2.6Å; H71-G74 PolarHBondContact O-N 3.39Å; H71-G74 VanDerWaalsContact O-N 3.14Å |
| 75 | Y | 81.3 | Confident | 68.9 | Low | 94 Ų | 94 | 95.3 Ų | 95.3 | 37% | 0.369 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 151.4 | 179.3 | 65.5 | -78.9 | 0 | 0 | 0 | 112.8 | E54 I58 A61 C68 F69 | E54-Y75 HydrophobicContact CB-CD1 3.38Å; E54-Y75 HydrophobicContact CB-CE1 4.07Å; E54-Y75 HydrophobicContact CB-CG 4.03Å; E54-Y75 HydrophobicContact CG-CD1 3.93Å; E54-Y75 PolarHBondContact OE2-N 3.42Å; I58-Y75 HydrophobicContact CD1-CE1 4.29Å; A61-Y75 HydrophobicContact CB-CD2 4.15Å; A61-Y75 HydrophobicContact CB-CE2 3.86Å; A61-Y75 VanDerWaalsContact O-CE2 3.25Å; A61-Y75 WeakPolarHBondContact O-CE2 3.24Å; A61-Y75 PolarHBondContact O-OH 3.07Å; C68-Y75 VanDerWaalsContact SG-CD2 3.59Å; F69-Y75 WeakPolarHBondContact O-CA 3.19Å |
| 76 | L | 77.4 | Confident | 67.7 | Low | 96 Ų | 96 | 93 Ų | 93 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 129.3 | 176.6 | -164.1 | 75 | 0 | 0 | 0 | 110.6 | F69 L78 | F69-L76 PolarHBondContact N-O 3.35Å; F69-L76 PolarHBondContact O-N 3.05Å; L76-L78 HydrophobicContact CD2-CD1 3.9Å; L76-L78 HydrophobicContact CD2-CD2 3.99Å; L76-L78 HydrophobicContact CD2-CG 3.89Å; L76-L78 HydrophobicContact CG-CD2 4.37Å; L76-L78 HydrophobicContact CG-CG 4.22Å |
| 77 | C | 78.5 | Confident | 66 | Low | 41 Ų | 41 | 93.9 Ų | 93.9 | 28% | 0.277 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 120 | 173.3 | -60.5 | 0 | 0 | 0 | 0 | 110.2 | C62 M66 | C62-C77 VanDerWaalsContact CA-SG 3.55Å; C62-C77 HydrophobicContact CB-CB 3.8Å; C62-C77 WeakPolarHBondContact CB-SG 3.42Å; C62-C77 VanDerWaalsContact SG-CA 3.51Å; C62-C77 WeakPolarHBondContact SG-CB 3.2Å; C62-C77 CovalentContact SG-SG 2.02Å; C62-C77 PolarHBondContact SG-SG 2.88Å; M66-C77 HydrophobicContact CB-CB 4.18Å; M66-C77 HydrophobicContact CE-CB 4.15Å; M66-C77 WeakPolarHBondContact CE-O 3.26Å |
| 78 | L | 71.4 | Confident | 64.2 | Low | 58 Ų | 58 | 94 Ų | 94 | 30% | 0.304 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 146.3 | 177.5 | -66.2 | 174.2 | 0 | 0 | 0 | 111.7 | M66 K67 F69 L76 | M66-L78 CarbonylContact C-O 3.56Å; M66-L78 WeakPolarHBondContact CA-O 3.44Å; K67-L78 PolarHBondContact N-O 3.4Å; K67-L78 PolarHBondContact O-N 2.87Å; F69-L78 HydrophobicContact CD2-CB 4.3Å; F69-L78 HydrophobicContact CD2-CD1 4.17Å; F69-L78 HydrophobicContact CD2-CG 4.42Å; F69-L78 HydrophobicContact CE2-CB 4.04Å; F69-L78 HydrophobicContact CE2-CD1 4.21Å; L76-L78 HydrophobicContact CD2-CD1 3.9Å; L76-L78 HydrophobicContact CD2-CD2 3.99Å; L76-L78 HydrophobicContact CD2-CG 3.89Å; L76-L78 HydrophobicContact CG-CD2 4.37Å; L76-L78 HydrophobicContact CG-CG 4.22Å |
| 79 | P | 69.9 | Low | 62.6 | Low | 58 Ų | 58 | 101.3 Ų | 101.3 | 38% | 0.377 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -68.4 | 145 | 179.7 | 25.4 | -30.5 | 0 | 0 | 0 | 111.7 | M66 S81 A82 | M66-P79 VanDerWaalsContact SD-CA 3.53Å; M66-P79 HydrophobicContact SD-CB 3.76Å; M66-P79 HydrophobicContact SD-CG 4.31Å; M66-P79 VanDerWaalsContact SD-N 3.4Å; P79-S81 PolarHBondContact O-N 2.95Å; P79-A82 HydrophobicContact CG-CB 4.35Å; P79-A82 PolarHBondContact O-N 2.94Å; P79-A82 VanDerWaalsContact O-N 3.09Å |
| 80 | R | 62.1 | Low | 60.8 | Low | 199 Ų | 199 | 102.6 Ų | 102.6 | 75% | 0.751 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | -16.5 | -177.1 | -85.5 | -173.1 | 167.3 | 116.2 | -0.1 | 115.5 | E65 | E65-R80 PolarHBondContact O-N 2.75Š|
| 81 | S | 61.2 | Low | 59.1 | Low | 105 Ų | 105 | 103.5 Ų | 103.5 | 73% | 0.734 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | 1.9 | -178 | 45.1 | 0 | 0 | 0 | 0 | 114.9 | P79 S83 | P79-S81 PolarHBondContact O-N 2.95Å; S81-S83 PolarHBondContact O-N 2.83Å |
| 82 | A | 47.8 | Very low | 57.5 | Low | 55 Ų | 55 | 105.7 Ų | 105.7 | 46% | 0.455 | 61% | 0.612 | S | S | . | * | trans | -75.3 | 109.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | P79 V84 | P79-A82 HydrophobicContact CG-CB 4.35Å; P79-A82 PolarHBondContact O-N 2.94Å; P79-A82 VanDerWaalsContact O-N 3.09Å; A82-V84 PolarHBondContact O-N 2.82Å | ||
| 83 | S | 48.8 | Very low | 55.7 | Low | 113 Ų | 113 | 102.2 Ų | 102.2 | 79% | 0.79 | 61% | 0.61 | S | S | * | * | trans | -78.5 | 109.9 | 170.6 | -59.8 | 0 | 0 | 0 | 0 | 108.9 | S81 I85 | S81-S83 PolarHBondContact O-N 2.83Å; S83-I85 PolarHBondContact O-N 2.8Å | ||
| 84 | V | 44.7 | Very low | 54.8 | Low | 122 Ų | 122 | 105.9 Ų | 105.9 | 74% | 0.739 | 63% | 0.628 | S | S | * | * | trans | -70.3 | 111.2 | 170.9 | 179.7 | 0 | 0 | 0 | 0 | 107.5 | A82 | A82-V84 PolarHBondContact O-N 2.82Š| ||
| 85 | I | 44.5 | Very low | 53.2 | Low | 152 Ų | 152 | 111.5 Ų | 111.5 | 78% | 0.779 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 125.5 | 167.3 | -58.3 | 173.9 | 0 | 0 | 0 | 106.5 | S83 A87 | S83-I85 PolarHBondContact O-N 2.8Å; I85-A87 PolarHBondContact O-N 2.96Å |
| 86 | P | 43.4 | Very low | 51.4 | Low | 109 Ų | 109 | 112.9 Ų | 112.9 | 71% | 0.708 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 127 | 173.4 | -14.8 | 28 | 0 | 0 | 0 | 109.1 | ||
| 87 | A | 40.9 | Very low | 50 | Low | 91 Ų | 91 | 112.5 Ų | 112.5 | 75% | 0.752 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 135.1 | 162.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | I85 | I85-A87 PolarHBondContact O-N 2.96Š|
| 88 | P | 43.3 | Very low | 48.7 | Very low | 124 Ų | 124 | 120.1 Ų | 120.1 | 81% | 0.805 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 140.2 | 179.6 | 25.4 | -31.3 | 0 | 0 | 0 | 110.5 | ||
| 89 | E | 44 | Very low | 48.1 | Very low | 185 Ų | 185 | 123.4 Ų | 123.4 | 86% | 0.864 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 144.1 | 172.4 | -73.2 | 178.2 | 162.6 | 0 | 0 | 111.2 | A91 | E89-A91 PolarHBondContact O-N 2.89Š|
| 90 | P | 42.4 | Very low | 48.1 | Very low | 118 Ų | 118 | 124.3 Ų | 124.3 | 77% | 0.766 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 132.3 | -179.4 | 28.4 | -32.2 | 0 | 0 | 0 | 110.5 | I92 | P90-I92 PolarHBondContact O-N 3.09Š|
| 91 | A | 37.4 | Very low | 48.5 | Very low | 87 Ų | 87 | 115.9 Ų | 115.9 | 72% | 0.719 | 71% | 0.714 | S | S | * | * | trans | -64.5 | 115.7 | 169 | 0 | 0 | 0 | 0 | 0 | 109.7 | E89 T93 | E89-A91 PolarHBondContact O-N 2.89Å; A91-T93 PolarHBondContact O-N 3.34Å | ||
| 92 | I | 46.9 | Very low | 49.5 | Very low | 171 Ų | 171 | 115 Ų | 115 | 88% | 0.877 | 71% | 0.705 | S | S | * | * | trans | -66.4 | 103.6 | 166.8 | -58.6 | 170.3 | 0 | 0 | 0 | 107.1 | P90 | P90-I92 PolarHBondContact O-N 3.09Š| ||
| 93 | T | 37.8 | Very low | 51 | Low | 116 Ų | 116 | 120.4 Ų | 120.4 | 71% | 0.712 | 73% | 0.726 | S | S | * | * | trans | -114.3 | 146.7 | 158.7 | 38.5 | 0 | 0 | 0 | 0 | 107.8 | A91 | A91-T93 PolarHBondContact O-N 3.34Š| ||
| 94 | P | 48 | Very low | 52.5 | Low | 110 Ų | 110 | 116 Ų | 116 | 71% | 0.714 | 70% | 0.698 | S | S | * | * | trans | -67.8 | 139.1 | -158.3 | 28 | -33.4 | 0 | 0 | 0 | 110.7 | P96 | P94-P96 WeakPolarHBondContact O-CD 3.43Š| ||
| 95 | T | 44.9 | Very low | 54.4 | Low | 138 Ų | 138 | 113 Ų | 113 | 85% | 0.847 | 67% | 0.674 | S | S | * | * | trans | -32.5 | 123.2 | 166 | 46.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 96 | P | 45.3 | Very low | 56.3 | Low | 122 Ų | 122 | 109.8 Ų | 109.8 | 79% | 0.792 | 66% | 0.655 | S | S | * | * | trans | -92.7 | 133.5 | 137.1 | 18.4 | -0.4 | 0 | 0 | 0 | 108.3 | P94 | P94-P96 WeakPolarHBondContact O-CD 3.43Š| ||
| 97 | A | 46.2 | Very low | 58.1 | Low | 88 Ų | 88 | 107.6 Ų | 107.6 | 73% | 0.727 | 64% | 0.641 | S | S | * | * | trans | 6.2 | 134.3 | 164.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | N99 | A97-N99 PolarHBondContact O-N 3.19Š| ||
| 98 | F | 52.3 | Low | 60.1 | Low | 201 Ų | 201 | 109.6 Ų | 109.6 | 88% | 0.882 | 64% | 0.635 | S | S | * | * | trans | -24.1 | 110.2 | 149.8 | -106 | -102.7 | 0 | 0 | 0 | 110.9 | P100 | F98-P100 WeakPolarHBondContact O-CD 3.38Š| ||
| 99 | N | 58 | Low | 61.8 | Low | 127 Ų | 127 | 107 Ų | 107 | 68% | 0.679 | 63% | 0.63 | S | S | * | * | trans | -96.3 | 99.8 | 162.9 | -138.3 | 9.3 | 0 | 0 | 0 | 104.7 | A97 C101 | A97-N99 PolarHBondContact O-N 3.19Å; N99-C101 PolarHBondContact O-N 3.48Å; N99-C101 VanDerWaalsContact O-N 3.11Å | ||
| 100 | P | 70.4 | Confident | 63.3 | Low | 78 Ų | 78 | 107 Ų | 107 | 51% | 0.506 | 64% | 0.636 | S | S | . | * | trans | -78.6 | 9.5 | -165 | 31.1 | -34.6 | 0 | 0 | 0 | 114 | F98 P107 | F98-P100 WeakPolarHBondContact O-CD 3.38Å; P100-P107 HydrophobicContact CG-CB 3.71Å | ||
| 101 | C | 70.9 | Confident | 65 | Low | 22 Ų | 22 | 104.2 Ų | 104.2 | 15% | 0.149 | 62% | 0.62 | C | S | . | * | S | Bend | trans | -125.8 | 145.9 | -170 | -65.2 | 0 | 0 | 0 | 0 | 113.8 | N99 C112 | N99-C101 PolarHBondContact O-N 3.48Å; N99-C101 VanDerWaalsContact O-N 3.11Å; C101-C112 WeakPolarHBondContact CA-SG 3.49Å; C101-C112 HydrophobicContact CB-CB 3.71Å; C101-C112 WeakPolarHBondContact CB-SG 3.41Å; C101-C112 WeakPolarHBondContact SG-CA 3.5Å; C101-C112 WeakPolarHBondContact SG-CB 3.4Å; C101-C112 CovalentContact SG-SG 2.04Å; C101-C112 PolarHBondContact SG-SG 3.02Å |
| 102 | P | 81.1 | Confident | 67.3 | Low | 85 Ų | 85 | 102.5 Ų | 102.5 | 55% | 0.552 | 60% | 0.602 | S | S | * | * | trans | -58.5 | 161.9 | 173.9 | -21.6 | 32.8 | 0 | 0 | 0 | 113.1 | G104 Y105 | P102-G104 PolarHBondContact O-N 3.45Å; P102-Y105 HydrophobicContact CB-CD2 4.05Å; P102-Y105 HydrophobicContact CG-CD2 4.5Å; P102-Y105 WeakPolarHBondContact O-CB 3.49Å; P102-Y105 PolarHBondContact O-N 3.43Å; P102-Y105 VanDerWaalsContact O-N 3.08Å | ||
| 103 | L | 79.6 | Confident | 69.2 | Low | 170 Ų | 170 | 97.4 Ų | 97.4 | 89% | 0.89 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.7 | 136.2 | 173.2 | -69.5 | 171 | 0 | 0 | 0 | 110.5 | ||
| 104 | G | 79.7 | Confident | 71.7 | Confident | 19 Ų | 19 | 93.5 Ų | 93.5 | 20% | 0.196 | 55% | 0.553 | C | S | . | * | T | Hydrogen-bonded Turn | trans | 85.9 | 4.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | P102 I115 | P102-G104 PolarHBondContact O-N 3.45Å; G104-I115 WeakPolarHBondContact O-CB 3.41Å; G104-I115 PolarHBondContact O-N 3.13Å |
| 105 | Y | 85.3 | Confident | 73.7 | Confident | 61 Ų | 61 | 89.8 Ų | 89.8 | 24% | 0.239 | 53% | 0.527 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 142.5 | 178.6 | -64.2 | -100.5 | 0 | 0 | 0 | 112 | P102 C112 V113 D114 L135 G136 | P102-Y105 HydrophobicContact CB-CD2 4.05Å; P102-Y105 HydrophobicContact CG-CD2 4.5Å; P102-Y105 WeakPolarHBondContact O-CB 3.49Å; P102-Y105 PolarHBondContact O-N 3.43Å; P102-Y105 VanDerWaalsContact O-N 3.08Å; Y105-C112 HydrophobicContact CD1-CB 4.21Å; Y105-C112 HydrophobicContact CG-CB 4.4Å; Y105-V113 CarbonylContact C-O 3.54Å; Y105-V113 VanDerWaalsContact CA-O 3.25Å; Y105-V113 WeakPolarHBondContact CA-O 3.45Å; Y105-V113 WeakPolarHBondContact CB-O 3.45Å; Y105-D114 HydrophobicContact CD1-CB 4.36Å; Y105-D114 HydrophobicContact CE1-CB 4.15Å; Y105-L135 WeakPolarHBondContact OH-CB 3.45Å; Y105-L135 PolarHBondContact OH-O 2.04Å; Y105-G136 PolarHBondContact OH-N 2.68Å |
| 106 | E | 85 | Confident | 75.8 | Confident | 83 Ų | 83 | 85.2 Ų | 85.2 | 39% | 0.388 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 146.4 | 173.6 | 64.4 | 175.9 | -161.8 | 0 | 0 | 112 | H108 V113 I115 R120 | E106-H108 PolarHBondContact O-N 2.99Å; E106-V113 PolarHBondContact N-O 3.33Å; E106-V113 PolarHBondContact O-N 3.15Å; E106-I115 HydrophobicContact CB-CD1 4.13Å; E106-I115 HydrophobicContact CB-CG1 3.84Å; E106-I115 HydrophobicContact CG-CG1 3.99Å; E106-R120 IonicContact OE2-NH1 2.76Å; E106-R120 PolarHBondContact OE2-NH1 3.36Å |
| 107 | P | 80.4 | Confident | 78 | Confident | 63 Ų | 63 | 80.3 Ų | 80.3 | 41% | 0.409 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 121.5 | -178.7 | 29 | -33.9 | 0 | 0 | 0 | 112 | P100 | P100-P107 HydrophobicContact CG-CB 3.71Å |
| 108 | H | 82.7 | Confident | 80.2 | Confident | 133 Ų | 133 | 77.7 Ų | 77.7 | 62% | 0.616 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 90.9 | 171.8 | -166.5 | 80.5 | 0 | 0 | 0 | 109.7 | E106 D110 S111 V113 | E106-H108 PolarHBondContact O-N 2.99Å; H108-D110 PolarHBondContact O-N 3.19Å; H108-S111 CarbonylContact C-O 3.29Å; H108-S111 PolarHBondContact N-O 3.23Å; H108-S111 PolarHBondContact O-N 3.22Å; H108-S111 VanDerWaalsContact O-O 3.1Å; H108-S111 PolarHBondContact O-OG 3.47Å; H108-V113 HydrophobicContact CB-CB 4.43Å; H108-V113 HydrophobicContact CB-CG2 3.63Å |
| 109 | G | 79.5 | Confident | 82 | Confident | 69 Ų | 69 | 76.1 Ų | 76.1 | 71% | 0.711 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.9 | -126.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S111 | G109-S111 VanDerWaalsContact C-N 3.32Š|
| 110 | D | 75.7 | Confident | 83.4 | Confident | 185 Ų | 185 | 75.5 Ų | 75.5 | 99% | 0.989 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 8.8 | 174.8 | -69 | -26.1 | 0 | 0 | 0 | 112.9 | H108 | H108-D110 PolarHBondContact O-N 3.19Š|
| 111 | S | 77.5 | Confident | 84 | Confident | 60 Ų | 60 | 77.9 Ų | 77.9 | 42% | 0.42 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 149.9 | -178 | 68.3 | 0 | 0 | 0 | 0 | 112 | H108 G109 | H108-S111 CarbonylContact C-O 3.29Å; H108-S111 PolarHBondContact N-O 3.23Å; H108-S111 PolarHBondContact O-N 3.22Å; H108-S111 VanDerWaalsContact O-O 3.1Å; H108-S111 PolarHBondContact O-OG 3.47Å; G109-S111 VanDerWaalsContact C-N 3.32Å |
| 112 | C | 85.5 | Confident | 84.8 | Confident | 52 Ų | 52 | 82.2 Ų | 82.2 | 35% | 0.351 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 123.7 | 175 | -62.2 | 0 | 0 | 0 | 0 | 109.1 | C101 Y105 | C101-C112 WeakPolarHBondContact CA-SG 3.49Å; C101-C112 HydrophobicContact CB-CB 3.71Å; C101-C112 WeakPolarHBondContact CB-SG 3.41Å; C101-C112 WeakPolarHBondContact SG-CA 3.5Å; C101-C112 WeakPolarHBondContact SG-CB 3.4Å; C101-C112 CovalentContact SG-SG 2.04Å; C101-C112 PolarHBondContact SG-SG 3.02Å; Y105-C112 HydrophobicContact CD1-CB 4.21Å; Y105-C112 HydrophobicContact CG-CB 4.4Å |
| 113 | V | 88 | Confident | 85 | Confident | 64 Ų | 64 | 80.3 Ų | 80.3 | 39% | 0.388 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 138 | 177 | -179.1 | 0 | 0 | 0 | 0 | 107.9 | Y105 E106 H108 I115 | Y105-V113 CarbonylContact C-O 3.54Å; Y105-V113 VanDerWaalsContact CA-O 3.25Å; Y105-V113 WeakPolarHBondContact CA-O 3.45Å; Y105-V113 WeakPolarHBondContact CB-O 3.45Å; E106-V113 PolarHBondContact N-O 3.33Å; E106-V113 PolarHBondContact O-N 3.15Å; H108-V113 HydrophobicContact CB-CB 4.43Å; H108-V113 HydrophobicContact CB-CG2 3.63Å; V113-I115 PolarHBondContact O-N 3Å |
| 114 | D | 90.1 | Very high | 85.4 | Confident | 33 Ų | 33 | 79.4 Ų | 79.4 | 18% | 0.176 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 131.7 | 176.7 | -173.8 | 58.8 | 0 | 0 | 0 | 110.7 | Y105 D116 N133 L135 G136 | Y105-D114 HydrophobicContact CD1-CB 4.36Å; Y105-D114 HydrophobicContact CE1-CB 4.15Å; D114-D116 PolarHBondContact O-N 2.8Å; D114-N133 PolarHBondContact OD2-ND2 2.89Å; D114-N133 PolarHBondContact OD2-OD1 2.97Å; D114-L135 HydrophobicContact CB-CD2 4.15Å; D114-L135 WeakPolarHBondContact OD1-CA 3.26Å; D114-G136 PolarHBondContact OD1-N 3.22Å |
| 115 | I | 89.6 | Confident | 85.8 | Confident | 32 Ų | 32 | 79.3 Ų | 79.3 | 16% | 0.164 | 43% | 0.426 | C | S | . | . | trans | -80.9 | 114.3 | 172.9 | -63.4 | 171.6 | 0 | 0 | 0 | 106.5 | G104 E106 V113 E117 | G104-I115 WeakPolarHBondContact O-CB 3.41Å; G104-I115 PolarHBondContact O-N 3.13Å; E106-I115 HydrophobicContact CB-CD1 4.13Å; E106-I115 HydrophobicContact CB-CG1 3.84Å; E106-I115 HydrophobicContact CG-CG1 3.99Å; V113-I115 PolarHBondContact O-N 3Å; I115-E117 HydrophobicContact CG2-CG 4.22Å; I115-E117 PolarHBondContact O-N 2.85Å; I115-E117 VanDerWaalsContact O-OE2 3.11Å | ||
| 116 | D | 89.6 | Confident | 85.9 | Confident | 43 Ų | 43 | 80.7 Ų | 80.7 | 23% | 0.23 | 44% | 0.435 | C | S | . | . | trans | -76.5 | 92.8 | 171.7 | -162 | -47 | 0 | 0 | 0 | 110 | D114 C118 E119 R120 N133 | D114-D116 PolarHBondContact O-N 2.8Å; D116-C118 PolarHBondContact O-N 2.82Å; D116-C118 WeakPolarHBondContact OD1-CA 3.39Å; D116-C118 VanDerWaalsContact OD1-CB 3.25Å; D116-C118 WeakPolarHBondContact OD1-CB 3.43Å; D116-C118 PolarHBondContact OD1-N 3.37Å; D116-E119 HydrophobicContact CB-CB 4.15Å; D116-E119 HydrophobicContact CB-CG 4.25Å; D116-E119 PolarHBondContact O-N 2.84Å; D116-E119 PolarHBondContact OD1-N 2.77Å; D116-R120 WeakPolarHBondContact O-CG 3.09Å; D116-R120 PolarHBondContact O-N 3.44Å; D116-N133 WeakPolarHBondContact CA-ND2 3.47Å; D116-N133 VanDerWaalsContact CG-ND2 3.25Å; D116-N133 WeakPolarHBondContact OD2-CB 3.38Å; D116-N133 PolarHBondContact OD2-ND2 2.96Å | ||
| 117 | E | 92.3 | Very high | 86 | Confident | 18 Ų | 18 | 83 Ų | 83 | 8% | 0.084 | 46% | 0.457 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -20.1 | 179.7 | -55.1 | 94.8 | 165.3 | 0 | 0 | 112.2 | I115 D121 E122 N133 F138 | I115-E117 HydrophobicContact CG2-CG 4.22Å; I115-E117 PolarHBondContact O-N 2.85Å; I115-E117 VanDerWaalsContact O-OE2 3.11Å; E117-D121 PolarHBondContact O-N 3Å; E117-E122 PolarHBondContact O-N 3.22Å; E117-N133 PolarHBondContact OE2-OD1 2.83Å; E117-F138 HydrophobicContact CB-CB 4.38Å; E117-F138 HydrophobicContact CB-CD1 3.85Å; E117-F138 HydrophobicContact CB-CG 4.33Å; E117-F138 HydrophobicContact CG-CD1 3.96Å |
| 118 | C | 91.5 | Very high | 86.2 | Confident | 33 Ų | 33 | 82.2 Ų | 82.2 | 22% | 0.223 | 45% | 0.453 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -40.7 | 176.3 | -53.9 | 0 | 0 | 0 | 0 | 112.7 | D116 R120 C131 I132 N133 | D116-C118 PolarHBondContact O-N 2.82Å; D116-C118 WeakPolarHBondContact OD1-CA 3.39Å; D116-C118 VanDerWaalsContact OD1-CB 3.25Å; D116-C118 WeakPolarHBondContact OD1-CB 3.43Å; D116-C118 PolarHBondContact OD1-N 3.37Å; C118-R120 VanDerWaalsContact C-N 3.31Å; C118-C131 WeakPolarHBondContact CA-SG 3.48Å; C118-C131 HydrophobicContact CB-CB 3.73Å; C118-C131 WeakPolarHBondContact CB-SG 3.37Å; C118-C131 WeakPolarHBondContact SG-CB 3.08Å; C118-C131 CovalentContact SG-SG 2.04Å; C118-C131 PolarHBondContact SG-SG 2.99Å; C118-I132 VanDerWaalsContact SG-C 3.56Å; C118-I132 PolarHBondContact SG-N 2.81Å; C118-N133 PolarHBondContact SG-N 3.18Å |
| 119 | E | 89.7 | Confident | 86.6 | Confident | 169 Ų | 169 | 77.1 Ų | 77.1 | 79% | 0.79 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -28.2 | 175 | -71 | -164.3 | 161.1 | 0 | 0 | 112.6 | D116 | D116-E119 HydrophobicContact CB-CB 4.15Å; D116-E119 HydrophobicContact CB-CG 4.25Å; D116-E119 PolarHBondContact O-N 2.84Å; D116-E119 PolarHBondContact OD1-N 2.77Å |
| 120 | R | 88.6 | Confident | 87.1 | Confident | 113 Ų | 113 | 79.4 Ų | 79.4 | 43% | 0.426 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -4.7 | -177.9 | -65.1 | 175.3 | 64.8 | 151 | -4.4 | 114.2 | E106 D116 C118 E122 | E106-R120 IonicContact OE2-NH1 2.76Å; E106-R120 PolarHBondContact OE2-NH1 3.36Å; D116-R120 WeakPolarHBondContact O-CG 3.09Å; D116-R120 PolarHBondContact O-N 3.44Å; C118-R120 VanDerWaalsContact C-N 3.31Å; R120-E122 HydrophobicContact CB-CB 4.37Å; R120-E122 HydrophobicContact CB-CG 4Å; R120-E122 IonicContact CZ-OE1 2.69Å; R120-E122 IonicContact NE-OE1 3.95Å; R120-E122 PolarHBondContact NE-OE1 2.76Å; R120-E122 IonicContact NH2-OE1 2.66Å; R120-E122 PolarHBondContact NH2-OE1 3.48Å; R120-E122 IonicContact NH2-OE2 2.88Å; R120-E122 PolarHBondContact O-N 2.69Å |
| 121 | D | 83 | Confident | 87.9 | Confident | 129 Ų | 129 | 71.7 Ų | 71.7 | 69% | 0.69 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 30.6 | -174.5 | -154.8 | 27.5 | 0 | 0 | 0 | 112.2 | E117 H123 | E117-D121 PolarHBondContact O-N 3Å; D121-H123 IonicContact OD1-CE1 3.84Å; D121-H123 IonicContact OD1-NE2 3.78Å |
| 122 | E | 86.3 | Confident | 88.6 | Confident | 112 Ų | 112 | 71.8 Ų | 71.8 | 52% | 0.523 | 38% | 0.377 | S | S | . | . | trans | -100.3 | 43.4 | -179.3 | -69.2 | -179.5 | -148.1 | 0 | 0 | 110.5 | E117 R120 | E117-E122 PolarHBondContact O-N 3.22Å; R120-E122 HydrophobicContact CB-CB 4.37Å; R120-E122 HydrophobicContact CB-CG 4Å; R120-E122 IonicContact CZ-OE1 2.69Å; R120-E122 IonicContact NE-OE1 3.95Å; R120-E122 PolarHBondContact NE-OE1 2.76Å; R120-E122 IonicContact NH2-OE1 2.66Å; R120-E122 PolarHBondContact NH2-OE1 3.48Å; R120-E122 IonicContact NH2-OE2 2.88Å; R120-E122 PolarHBondContact O-N 2.69Å | ||
| 123 | H | 86.1 | Confident | 88.9 | Confident | 46 Ų | 46 | 71.2 Ų | 71.2 | 21% | 0.213 | 37% | 0.371 | C | S | . | . | trans | -130 | 155.2 | -176.4 | 66 | 58 | 0 | 0 | 0 | 113.9 | D121 C125 C131 F138 | D121-H123 IonicContact OD1-CE1 3.84Å; D121-H123 IonicContact OD1-NE2 3.78Å; H123-C125 PolarHBondContact ND1-N 3.29Å; H123-C125 PolarHBondContact O-N 3.11Å; H123-C131 PolarHBondContact CD2-SG 2.64Å; H123-F138 HydrophobicContact CB-CD1 4.41Å; H123-F138 HydrophobicContact CB-CD2 3.79Å; H123-F138 HydrophobicContact CB-CE1 4.31Å; H123-F138 HydrophobicContact CB-CE2 3.67Å; H123-F138 HydrophobicContact CB-CG 4.17Å; H123-F138 HydrophobicContact CB-CZ 3.95Å | ||
| 124 | D | 87.4 | Confident | 89 | Confident | 150 Ų | 150 | 71.1 Ų | 71.1 | 80% | 0.802 | 37% | 0.37 | S | S | * | . | trans | -95.9 | 20.5 | 177.9 | -66.4 | -35.8 | 0 | 0 | 0 | 113.8 | ||||
| 125 | C | 87.6 | Confident | 89 | Confident | 17 Ų | 17 | 76.4 Ų | 76.4 | 12% | 0.115 | 40% | 0.398 | C | S | . | . | trans | -65.5 | 139 | 177.5 | -58.3 | 0 | 0 | 0 | 0 | 112.2 | H123 Q129 C140 | H123-C125 PolarHBondContact ND1-N 3.29Å; H123-C125 PolarHBondContact O-N 3.11Å; C125-Q129 HydrophobicContact CB-CB 4.44Å; C125-C140 WeakPolarHBondContact CA-SG 3.3Å; C125-C140 HydrophobicContact CB-CB 3.73Å; C125-C140 WeakPolarHBondContact CB-SG 3.49Å; C125-C140 VanDerWaalsContact SG-CA 3.58Å; C125-C140 WeakPolarHBondContact SG-CB 3.42Å; C125-C140 CovalentContact SG-SG 2.03Å; C125-C140 PolarHBondContact SG-SG 3.15Å | ||
| 126 | Q | 88.4 | Confident | 88.9 | Confident | 90 Ų | 90 | 76 Ų | 76 | 42% | 0.421 | 40% | 0.401 | S | S | . | . | trans | -69.4 | 153.6 | 175.5 | -67.2 | -65.7 | -37.9 | 0 | 0 | 111 | S128 Q129 | Q126-S128 PolarHBondContact O-N 2.93Å; Q126-Q129 HydrophobicContact CB-CG 4.3Å; Q126-Q129 WeakPolarHBondContact O-CB 3.4Å; Q126-Q129 PolarHBondContact O-N 2.81Å | ||
| 127 | P | 86.4 | Confident | 88.9 | Confident | 133 Ų | 133 | 76 Ų | 76 | 86% | 0.864 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -23.1 | -179 | -26.4 | 34.6 | 0 | 0 | 0 | 115.1 | Q129 | P127-Q129 VanDerWaalsContact C-N 3.35Š|
| 128 | S | 85.7 | Confident | 88.8 | Confident | 45 Ų | 45 | 78.4 Ų | 78.4 | 32% | 0.315 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -2.9 | 176.6 | 69.3 | 0 | 0 | 0 | 0 | 114 | Q126 P143 C153 | Q126-S128 PolarHBondContact O-N 2.93Å; S128-P143 WeakPolarHBondContact O-CD 2.91Å; S128-C153 WeakPolarHBondContact O-CB 3.48Å; S128-C153 PolarHBondContact O-SG 2.93Å; S128-C153 VanDerWaalsContact O-SG 3.33Å; S128-C153 PolarHBondContact OG-N 2.92Å; S128-C153 VanDerWaalsContact OG-N 3.17Å |
| 129 | Q | 89.6 | Confident | 88.7 | Confident | 27 Ų | 27 | 80.5 Ų | 80.5 | 13% | 0.126 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -107.7 | 151.1 | -177.1 | -69.5 | 168 | -7.2 | 0 | 0 | 110.6 | C125 Q126 P127 C140 Q141 T151 C153 | C125-Q129 HydrophobicContact CB-CB 4.44Å; Q126-Q129 HydrophobicContact CB-CG 4.3Å; Q126-Q129 WeakPolarHBondContact O-CB 3.4Å; Q126-Q129 PolarHBondContact O-N 2.81Å; P127-Q129 VanDerWaalsContact C-N 3.35Å; Q129-C140 HydrophobicContact CB-CB 4.26Å; Q129-C140 VanDerWaalsContact OE1-CB 3.31Å; Q129-Q141 CarbonylContact C-O 3.55Å; Q129-Q141 WeakPolarHBondContact CA-O 3.3Å; Q129-T151 PolarHBondContact NE2-O 2.85Å; Q129-C153 WeakPolarHBondContact CG-SG 3.36Å |
| 130 | Q | 91 | Very high | 88.8 | Confident | 116 Ų | 116 | 73.7 Ų | 73.7 | 54% | 0.542 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 125.4 | 170.7 | -173.5 | 168.8 | 33.7 | 0 | 0 | 109.3 | Q141 | Q130-Q141 PolarHBondContact N-O 3.43Å; Q130-Q141 PolarHBondContact O-N 2.96Å |
| 131 | C | 91.9 | Very high | 88.9 | Confident | 24 Ų | 24 | 72.6 Ų | 72.6 | 16% | 0.162 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 128.8 | 168.9 | -173.2 | 0 | 0 | 0 | 0 | 109.1 | C118 H123 | C118-C131 WeakPolarHBondContact CA-SG 3.48Å; C118-C131 HydrophobicContact CB-CB 3.73Å; C118-C131 WeakPolarHBondContact CB-SG 3.37Å; C118-C131 WeakPolarHBondContact SG-CB 3.08Å; C118-C131 CovalentContact SG-SG 2.04Å; C118-C131 PolarHBondContact SG-SG 2.99Å; H123-C131 PolarHBondContact CD2-SG 2.64Å |
| 132 | I | 92.6 | Very high | 89.3 | Confident | 62 Ų | 62 | 67.9 Ų | 67.9 | 32% | 0.318 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 113.4 | 173.9 | -59.3 | 174.7 | 0 | 0 | 0 | 107.1 | C118 N139 Q141 | C118-I132 VanDerWaalsContact SG-C 3.56Å; C118-I132 PolarHBondContact SG-N 2.81Å; I132-N139 PolarHBondContact N-O 3.04Å; I132-N139 PolarHBondContact O-N 3.02Å; I132-Q141 HydrophobicContact CD1-CB 3.97Å; I132-Q141 HydrophobicContact CD1-CG 3.94Å |
| 133 | N | 91.8 | Very high | 89.6 | Confident | 40 Ų | 40 | 64.7 Ų | 64.7 | 21% | 0.214 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 140.2 | 176.6 | -177.1 | 30.1 | 0 | 0 | 0 | 110.5 | D114 D116 E117 C118 A137 | D114-N133 PolarHBondContact OD2-ND2 2.89Å; D114-N133 PolarHBondContact OD2-OD1 2.97Å; D116-N133 WeakPolarHBondContact CA-ND2 3.47Å; D116-N133 VanDerWaalsContact CG-ND2 3.25Å; D116-N133 WeakPolarHBondContact OD2-CB 3.38Å; D116-N133 PolarHBondContact OD2-ND2 2.96Å; E117-N133 PolarHBondContact OE2-OD1 2.83Å; C118-N133 PolarHBondContact SG-N 3.18Å; N133-A137 PolarHBondContact OD1-O 3.34Å |
| 134 | T | 90.6 | Very high | 89.8 | Confident | 62 Ų | 62 | 74 Ų | 74 | 38% | 0.38 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 157.9 | 177.4 | 63.1 | 0 | 0 | 0 | 0 | 109.4 | G136 A137 | T134-G136 PolarHBondContact O-N 3.24Å; T134-A137 CarbonylContact C-O 3.55Å; T134-A137 VanDerWaalsContact C-O 3.22Å; T134-A137 VanDerWaalsContact CA-O 3.24Å; T134-A137 WeakPolarHBondContact CA-O 3.42Å; T134-A137 WeakPolarHBondContact CB-O 3.38Å; T134-A137 PolarHBondContact N-O 3.31Å; T134-A137 CarbonylContact O-C 3.53Å; T134-A137 PolarHBondContact O-N 3.17Å; T134-A137 VanDerWaalsContact OG1-C 3.32Å; T134-A137 PolarHBondContact OG1-O 3.01Å |
| 135 | L | 89.9 | Confident | 89.9 | Confident | 143 Ų | 143 | 67.8 Ų | 67.8 | 75% | 0.749 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 108.6 | -176.9 | -66.8 | 176.7 | 0 | 0 | 0 | 111.8 | Y105 D114 | Y105-L135 WeakPolarHBondContact OH-CB 3.45Å; Y105-L135 PolarHBondContact OH-O 2.04Å; D114-L135 HydrophobicContact CB-CD2 4.15Å; D114-L135 WeakPolarHBondContact OD1-CA 3.26Å |
| 136 | G | 86 | Confident | 90.2 | Very high | 23 Ų | 23 | 70.3 Ų | 70.3 | 24% | 0.237 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | 8.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y105 D114 T134 | Y105-G136 PolarHBondContact OH-N 2.68Å; D114-G136 PolarHBondContact OD1-N 3.22Å; T134-G136 PolarHBondContact O-N 3.24Å |
| 137 | A | 89.6 | Confident | 90.3 | Very high | 44 Ų | 44 | 68.4 Ų | 68.4 | 36% | 0.364 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.3 | 172.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | N133 T134 | N133-A137 PolarHBondContact OD1-O 3.34Å; T134-A137 CarbonylContact C-O 3.55Å; T134-A137 VanDerWaalsContact C-O 3.22Å; T134-A137 VanDerWaalsContact CA-O 3.24Å; T134-A137 WeakPolarHBondContact CA-O 3.42Å; T134-A137 WeakPolarHBondContact CB-O 3.38Å; T134-A137 PolarHBondContact N-O 3.31Å; T134-A137 CarbonylContact O-C 3.53Å; T134-A137 PolarHBondContact O-N 3.17Å; T134-A137 VanDerWaalsContact OG1-C 3.32Å; T134-A137 PolarHBondContact OG1-O 3.01Å |
| 138 | F | 90.6 | Very high | 90.5 | Very high | 68 Ų | 68 | 68.4 Ų | 68.4 | 30% | 0.298 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 161 | 168.9 | 64.4 | -83.1 | 0 | 0 | 0 | 112.5 | E117 H123 | E117-F138 HydrophobicContact CB-CB 4.38Å; E117-F138 HydrophobicContact CB-CD1 3.85Å; E117-F138 HydrophobicContact CB-CG 4.33Å; E117-F138 HydrophobicContact CG-CD1 3.96Å; H123-F138 HydrophobicContact CB-CD1 4.41Å; H123-F138 HydrophobicContact CB-CD2 3.79Å; H123-F138 HydrophobicContact CB-CE1 4.31Å; H123-F138 HydrophobicContact CB-CE2 3.67Å; H123-F138 HydrophobicContact CB-CG 4.17Å; H123-F138 HydrophobicContact CB-CZ 3.95Å |
| 139 | N | 90.2 | Very high | 90.6 | Very high | 77 Ų | 77 | 70.3 Ų | 70.3 | 41% | 0.412 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 129.4 | 173 | -172.2 | 4.8 | 0 | 0 | 0 | 111.4 | I132 Q141 | I132-N139 PolarHBondContact N-O 3.04Å; I132-N139 PolarHBondContact O-N 3.02Å; N139-Q141 PolarHBondContact ND2-NE2 3.21Å |
| 140 | C | 90.3 | Very high | 90.4 | Very high | 26 Ų | 26 | 72 Ų | 72 | 18% | 0.176 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 113.4 | 176.6 | -48.3 | 0 | 0 | 0 | 0 | 110.4 | C125 Q129 | C125-C140 WeakPolarHBondContact CA-SG 3.3Å; C125-C140 HydrophobicContact CB-CB 3.73Å; C125-C140 WeakPolarHBondContact CB-SG 3.49Å; C125-C140 VanDerWaalsContact SG-CA 3.58Å; C125-C140 WeakPolarHBondContact SG-CB 3.42Å; C125-C140 CovalentContact SG-SG 2.03Å; C125-C140 PolarHBondContact SG-SG 3.15Å; Q129-C140 HydrophobicContact CB-CB 4.26Å; Q129-C140 VanDerWaalsContact OE1-CB 3.31Å |
| 141 | Q | 91.4 | Very high | 90 | Very high | 91 Ų | 91 | 70.9 Ų | 70.9 | 43% | 0.425 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 151.8 | -179.7 | -62.7 | -173.4 | 14.7 | 0 | 0 | 111.4 | Q129 Q130 I132 N139 | Q129-Q141 CarbonylContact C-O 3.55Å; Q129-Q141 WeakPolarHBondContact CA-O 3.3Å; Q130-Q141 PolarHBondContact N-O 3.43Å; Q130-Q141 PolarHBondContact O-N 2.96Å; I132-Q141 HydrophobicContact CD1-CB 3.97Å; I132-Q141 HydrophobicContact CD1-CG 3.94Å; N139-Q141 PolarHBondContact ND2-NE2 3.21Å |
| 142 | C | 92.5 | Very high | 89.7 | Confident | 30 Ų | 30 | 75.7 Ų | 75.7 | 20% | 0.203 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 145.8 | 171.6 | -68.3 | 0 | 0 | 0 | 0 | 110.5 | C153 | C142-C153 WeakPolarHBondContact CA-SG 3.47Å; C142-C153 HydrophobicContact CB-CB 3.76Å; C142-C153 WeakPolarHBondContact CB-SG 3.44Å; C142-C153 VanDerWaalsContact SG-CA 3.59Å; C142-C153 WeakPolarHBondContact SG-CB 3.47Å; C142-C153 CovalentContact SG-SG 2.04Å; C142-C153 PolarHBondContact SG-SG 3.47Å |
| 143 | P | 91.5 | Very high | 89.7 | Confident | 45 Ų | 45 | 73.5 Ų | 73.5 | 29% | 0.292 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -53.9 | 156 | 171.4 | -24.1 | 33.3 | 0 | 0 | 0 | 111.7 | S128 G145 Y146 | S128-P143 WeakPolarHBondContact O-CD 2.91Å; P143-G145 PolarHBondContact O-N 3.19Å; P143-Y146 HydrophobicContact CB-CD2 3.93Å; P143-Y146 HydrophobicContact CB-CE2 4.41Å; P143-Y146 WeakPolarHBondContact O-CB 3.31Å; P143-Y146 PolarHBondContact O-N 3.12Å |
| 144 | R | 90.8 | Very high | 89.6 | Confident | 241 Ų | 241 | 75.6 Ų | 75.6 | 91% | 0.909 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | 134.3 | 175.2 | -70.4 | -175.9 | 176.2 | 169.5 | 0.5 | 110.2 | ||
| 145 | G | 89.6 | Confident | 89.8 | Confident | 20 Ų | 20 | 74.4 Ų | 74.4 | 21% | 0.206 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | 0.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | P143 I156 | P143-G145 PolarHBondContact O-N 3.19Å; G145-I156 VanDerWaalsContact O-CB 3.26Å; G145-I156 WeakPolarHBondContact O-CB 3.47Å; G145-I156 VanDerWaalsContact O-CG1 3.28Å; G145-I156 WeakPolarHBondContact O-CG1 3.33Å; G145-I156 PolarHBondContact O-N 2.78Å |
| 146 | Y | 92.9 | Very high | 90 | Very high | 70 Ų | 70 | 70.6 Ų | 70.6 | 28% | 0.275 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 147.6 | 178.5 | -66.6 | -105 | 0 | 0 | 0 | 111.8 | P143 C153 I154 D155 P172 G173 | P143-Y146 HydrophobicContact CB-CD2 3.93Å; P143-Y146 HydrophobicContact CB-CE2 4.41Å; P143-Y146 WeakPolarHBondContact O-CB 3.31Å; P143-Y146 PolarHBondContact O-N 3.12Å; Y146-C153 HydrophobicContact CD1-CB 4.46Å; Y146-I154 CarbonylContact C-O 3.52Å; Y146-I154 WeakPolarHBondContact CA-O 3.24Å; Y146-D155 HydrophobicContact CD1-CB 4.11Å; Y146-D155 VanDerWaalsContact CD1-N 3.3Å; Y146-D155 HydrophobicContact CE1-CB 3.81Å; Y146-P172 VanDerWaalsContact OH-CB 3.32Å; Y146-P172 WeakPolarHBondContact OH-CB 3.43Å; Y146-G173 PolarHBondContact OH-N 2.74Å |
| 147 | S | 91.6 | Very high | 90.3 | Very high | 49 Ų | 49 | 71.7 Ų | 71.7 | 34% | 0.343 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 144.5 | 176.4 | 66.5 | 0 | 0 | 0 | 0 | 111.2 | V149 I154 | S147-V149 PolarHBondContact O-N 2.98Å; S147-I154 PolarHBondContact N-O 2.81Å; S147-I154 PolarHBondContact O-N 2.92Å; S147-I154 PolarHBondContact OG-O 2.83Å |
| 148 | K | 89.8 | Confident | 90.4 | Very high | 133 Ų | 133 | 70.7 Ų | 70.7 | 58% | 0.578 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 115.3 | 178.8 | -171.3 | 173.9 | -177.5 | 172.1 | 0 | 109.8 | G150 | K148-G150 WeakPolarHBondContact CE-O 3.28Å |
| 149 | V | 88.3 | Confident | 90.5 | Very high | 85 Ų | 85 | 69 Ų | 69 | 52% | 0.515 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 103.1 | 174.7 | -177.6 | 0 | 0 | 0 | 0 | 107.7 | S147 T151 E152 I154 | S147-V149 PolarHBondContact O-N 2.98Å; V149-T151 PolarHBondContact O-N 2.86Å; V149-E152 PolarHBondContact N-O 3.37Å; V149-E152 PolarHBondContact O-N 2.86Å; V149-I154 HydrophobicContact CB-CD1 3.73Å; V149-I154 HydrophobicContact CB-CG1 4.21Å; V149-I154 HydrophobicContact CG1-CD1 4.11Å; V149-I154 HydrophobicContact CG2-CB 4.41Å; V149-I154 HydrophobicContact CG2-CD1 4.08Å; V149-I154 HydrophobicContact CG2-CG1 4.4Å |
| 150 | G | 86.1 | Confident | 90.5 | Very high | 64 Ų | 64 | 74.8 Ų | 74.8 | 66% | 0.66 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.7 | -121.2 | -169 | 0 | 0 | 0 | 0 | 0 | 111.4 | K148 | K148-G150 WeakPolarHBondContact CE-O 3.28Š|
| 151 | T | 81.6 | Confident | 90.3 | Very high | 92 Ų | 92 | 80.5 Ų | 80.5 | 56% | 0.564 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | -12.1 | 178.4 | 50 | 0 | 0 | 0 | 0 | 113.6 | Q129 V149 | Q129-T151 PolarHBondContact NE2-O 2.85Å; V149-T151 PolarHBondContact O-N 2.86Å |
| 152 | E | 86.5 | Confident | 89.8 | Confident | 125 Ų | 125 | 87.1 Ų | 87.1 | 58% | 0.584 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 154.9 | -175.3 | -63.6 | -171.4 | 160.9 | 0 | 0 | 112.3 | V149 | V149-E152 PolarHBondContact N-O 3.37Å; V149-E152 PolarHBondContact O-N 2.86Å |
| 153 | C | 91.8 | Very high | 89.5 | Confident | 16 Ų | 16 | 90.1 Ų | 90.1 | 11% | 0.108 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 113.6 | 172.2 | -65.1 | 0 | 0 | 0 | 0 | 109.5 | S128 Q129 C142 Y146 | S128-C153 WeakPolarHBondContact O-CB 3.48Å; S128-C153 PolarHBondContact O-SG 2.93Å; S128-C153 VanDerWaalsContact O-SG 3.33Å; S128-C153 PolarHBondContact OG-N 2.92Å; S128-C153 VanDerWaalsContact OG-N 3.17Å; Q129-C153 WeakPolarHBondContact CG-SG 3.36Å; C142-C153 WeakPolarHBondContact CA-SG 3.47Å; C142-C153 HydrophobicContact CB-CB 3.76Å; C142-C153 WeakPolarHBondContact CB-SG 3.44Å; C142-C153 VanDerWaalsContact SG-CA 3.59Å; C142-C153 WeakPolarHBondContact SG-CB 3.47Å; C142-C153 CovalentContact SG-SG 2.04Å; C142-C153 PolarHBondContact SG-SG 3.47Å; Y146-C153 HydrophobicContact CD1-CB 4.46Å |
| 154 | I | 91.1 | Very high | 89.5 | Confident | 84 Ų | 84 | 88.7 Ų | 88.7 | 43% | 0.431 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 135.4 | 179 | -55.8 | -177 | 0 | 0 | 0 | 108.6 | Y146 S147 V149 I156 | Y146-I154 CarbonylContact C-O 3.52Å; Y146-I154 WeakPolarHBondContact CA-O 3.24Å; S147-I154 PolarHBondContact N-O 2.81Å; S147-I154 PolarHBondContact O-N 2.92Å; S147-I154 PolarHBondContact OG-O 2.83Å; V149-I154 HydrophobicContact CB-CD1 3.73Å; V149-I154 HydrophobicContact CB-CG1 4.21Å; V149-I154 HydrophobicContact CG1-CD1 4.11Å; V149-I154 HydrophobicContact CG2-CB 4.41Å; V149-I154 HydrophobicContact CG2-CD1 4.08Å; V149-I154 HydrophobicContact CG2-CG1 4.4Å; I154-I156 PolarHBondContact O-N 3.16Å |
| 155 | D | 93.9 | Very high | 89.5 | Confident | 36 Ų | 36 | 81.8 Ų | 81.8 | 19% | 0.193 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.5 | 133.6 | 176.5 | -175.5 | 58 | 0 | 0 | 0 | 111.6 | Y146 D157 N170 G173 | Y146-D155 HydrophobicContact CD1-CB 4.11Å; Y146-D155 VanDerWaalsContact CD1-N 3.3Å; Y146-D155 HydrophobicContact CE1-CB 3.81Å; D155-D157 PolarHBondContact O-N 2.96Å; D155-N170 PolarHBondContact OD2-ND2 3.13Å; D155-G173 PolarHBondContact OD1-N 2.79Å |
| 156 | I | 93.6 | Very high | 89.5 | Confident | 63 Ų | 63 | 83 Ų | 83 | 32% | 0.323 | 41% | 0.406 | S | S | . | . | trans | -79.5 | 113.1 | 178.1 | -63.4 | 169.8 | 0 | 0 | 0 | 107.5 | G145 I154 E158 N170 | G145-I156 VanDerWaalsContact O-CB 3.26Å; G145-I156 WeakPolarHBondContact O-CB 3.47Å; G145-I156 VanDerWaalsContact O-CG1 3.28Å; G145-I156 WeakPolarHBondContact O-CG1 3.33Å; G145-I156 PolarHBondContact O-N 2.78Å; I154-I156 PolarHBondContact O-N 3.16Å; I156-E158 HydrophobicContact CG2-CG 4.2Å; I156-E158 PolarHBondContact O-N 2.97Å; I156-N170 PolarHBondContact O-OD1 3.45Å | ||
| 157 | D | 92.4 | Very high | 89.5 | Confident | 47 Ų | 47 | 87.2 Ų | 87.2 | 25% | 0.251 | 42% | 0.422 | S | S | . | . | trans | -73.9 | 86.7 | 174.7 | -178.5 | -0 | 0 | 0 | 0 | 111 | D155 C159 R160 | D155-D157 PolarHBondContact O-N 2.96Å; D157-C159 PolarHBondContact O-N 3.17Å; D157-C159 WeakPolarHBondContact OD1-CB 3.48Å; D157-C159 PolarHBondContact OD1-N 2.86Å; D157-R160 HydrophobicContact CB-CG 4.18Å; D157-R160 PolarHBondContact O-N 2.81Å; D157-R160 WeakPolarHBondContact OD2-CG 3.34Å; D157-R160 IonicContact OD2-CZ 3.9Å; D157-R160 IonicContact OD2-NE 2.64Å; D157-R160 PolarHBondContact OD2-NE 2.8Å; D157-R160 IonicContact OD2-NH2 3.96Å | ||
| 158 | E | 92.3 | Very high | 89.7 | Confident | 23 Ų | 23 | 86.4 Ų | 86.4 | 11% | 0.107 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -66.6 | -18.9 | -179.2 | -57 | 97.7 | 156.6 | 0 | 0 | 112.3 | I156 R160 F161 Y163 N170 S174 F175 | I156-E158 HydrophobicContact CG2-CG 4.2Å; I156-E158 PolarHBondContact O-N 2.97Å; E158-R160 PolarHBondContact O-N 3.37Å; E158-F161 PolarHBondContact O-N 2.88Å; E158-F161 VanDerWaalsContact O-N 3.13Å; E158-Y163 HydrophobicContact CB-CD2 4.24Å; E158-Y163 HydrophobicContact CB-CE2 4.5Å; E158-Y163 HydrophobicContact CB-CG 4.27Å; E158-Y163 WeakPolarHBondContact O-CD2 3.49Å; E158-N170 PolarHBondContact OE2-OD1 3.42Å; E158-S174 VanDerWaalsContact OE2-C 3.27Å; E158-F175 HydrophobicContact CB-CB 4.24Å; E158-F175 HydrophobicContact CB-CD1 3.73Å; E158-F175 HydrophobicContact CB-CE1 4.42Å; E158-F175 HydrophobicContact CB-CG 4.07Å; E158-F175 HydrophobicContact CG-CD1 3.87Å |
| 159 | C | 92 | Very high | 89.9 | Confident | 32 Ų | 32 | 82.1 Ų | 82.1 | 22% | 0.216 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -66.1 | -19.5 | 178.2 | -62.6 | 0 | 0 | 0 | 0 | 113.4 | D157 F161 R162 C168 V169 N170 | D157-C159 PolarHBondContact O-N 3.17Å; D157-C159 WeakPolarHBondContact OD1-CB 3.48Å; D157-C159 PolarHBondContact OD1-N 2.86Å; C159-F161 PolarHBondContact O-N 2.94Å; C159-R162 PolarHBondContact O-N 2.87Å; C159-C168 WeakPolarHBondContact CA-SG 3.44Å; C159-C168 HydrophobicContact CB-CB 3.64Å; C159-C168 WeakPolarHBondContact CB-SG 3.23Å; C159-C168 WeakPolarHBondContact SG-CB 3.42Å; C159-C168 CovalentContact SG-SG 2.04Å; C159-C168 PolarHBondContact SG-SG 2.64Å; C159-V169 VanDerWaalsContact SG-C 3.52Å; C159-N170 PolarHBondContact SG-N 2.95Å |
| 160 | R | 89.9 | Confident | 90.1 | Very high | 198 Ų | 198 | 80.8 Ų | 80.8 | 75% | 0.747 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -63.6 | -20.7 | 173.5 | -67.4 | 179.8 | -178 | -161.4 | -1.6 | 113.7 | D157 E158 | D157-R160 HydrophobicContact CB-CG 4.18Å; D157-R160 PolarHBondContact O-N 2.81Å; D157-R160 WeakPolarHBondContact OD2-CG 3.34Å; D157-R160 IonicContact OD2-CZ 3.9Å; D157-R160 IonicContact OD2-NE 2.64Å; D157-R160 PolarHBondContact OD2-NE 2.8Å; D157-R160 IonicContact OD2-NH2 3.96Å; E158-R160 PolarHBondContact O-N 3.37Å |
| 161 | F | 86.6 | Confident | 90.5 | Very high | 146 Ų | 146 | 80.3 Ų | 80.3 | 64% | 0.64 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -109.3 | 18.1 | -172.2 | -61.7 | -78.9 | 0 | 0 | 0 | 113.4 | E158 C159 Y163 | E158-F161 PolarHBondContact O-N 2.88Å; E158-F161 VanDerWaalsContact O-N 3.13Å; C159-F161 PolarHBondContact O-N 2.94Å; F161-Y163 HydrophobicContact CB-CD2 3.54Å; F161-Y163 HydrophobicContact CB-CE2 3.39Å; F161-Y163 HydrophobicContact CD2-CE2 4.39Å; F161-Y163 HydrophobicContact CG-CE2 4.2Å; F161-Y163 PolarHBondContact O-N 2.95Å |
| 162 | R | 81.9 | Confident | 91.1 | Very high | 230 Ų | 230 | 81.1 Ų | 81.1 | 87% | 0.868 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 48.7 | 178.7 | -63.4 | -172.1 | 175.5 | -176.7 | -1.6 | 113.7 | C159 C164 | C159-R162 PolarHBondContact O-N 2.87Å; R162-C164 VanDerWaalsContact C-N 3.26Å; R162-C164 PolarHBondContact O-N 3.27Å |
| 163 | Y | 85.6 | Confident | 91.3 | Very high | 93 Ų | 93 | 76.3 Ų | 76.3 | 37% | 0.365 | 37% | 0.365 | S | S | . | . | trans | -68.8 | -19.7 | 179.8 | -90.6 | -113 | 0 | 0 | 0 | 114.5 | E158 F161 F175 R190 | E158-Y163 HydrophobicContact CB-CD2 4.24Å; E158-Y163 HydrophobicContact CB-CE2 4.5Å; E158-Y163 HydrophobicContact CB-CG 4.27Å; E158-Y163 WeakPolarHBondContact O-CD2 3.49Å; F161-Y163 HydrophobicContact CB-CD2 3.54Å; F161-Y163 HydrophobicContact CB-CE2 3.39Å; F161-Y163 HydrophobicContact CD2-CE2 4.39Å; F161-Y163 HydrophobicContact CG-CE2 4.2Å; F161-Y163 PolarHBondContact O-N 2.95Å; Y163-F175 AromaticContact CD1-CE1 3.89Å; Y163-F175 HydrophobicContact CD1-CE1 3.89Å; Y163-F175 HydrophobicContact CD1-CE2 4.38Å; Y163-F175 AromaticContact CD1-CZ 3.75Å; Y163-F175 HydrophobicContact CD1-CZ 3.75Å; Y163-F175 HydrophobicContact CG-CZ 4.37Å; Y163-R190 VanDerWaalsContact CD1-CZ 3.44Å; Y163-R190 VanDerWaalsContact CE1-NH1 3.28Å | ||
| 164 | C | 90.4 | Very high | 91.3 | Very high | 15 Ų | 15 | 78.2 Ų | 78.2 | 10% | 0.101 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -110 | 147.7 | -179.3 | -57.7 | 0 | 0 | 0 | 0 | 111.5 | R162 C168 C177 | R162-C164 VanDerWaalsContact C-N 3.26Å; R162-C164 PolarHBondContact O-N 3.27Å; C164-C168 HydrophobicContact CB-CB 3.96Å; C164-C168 VanDerWaalsContact SG-CB 3.5Å; C164-C168 VanDerWaalsContact SG-SG 3.61Å; C164-C177 VanDerWaalsContact CA-SG 3.52Å; C164-C177 HydrophobicContact CB-CB 3.69Å; C164-C177 WeakPolarHBondContact CB-SG 3.39Å; C164-C177 WeakPolarHBondContact SG-CA 3.47Å; C164-C177 WeakPolarHBondContact SG-CB 3.26Å; C164-C177 CovalentContact SG-SG 2.02Å; C164-C177 PolarHBondContact SG-SG 3.18Å |
| 165 | Q | 90.7 | Very high | 91.4 | Very high | 96 Ų | 96 | 75.9 Ų | 75.9 | 45% | 0.449 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -67.6 | -44.2 | 174.2 | -179 | -179.7 | -23.7 | 0 | 0 | 112.4 | R190 C192 | Q165-R190 PolarHBondContact N-O 2.79Å; Q165-C192 PolarHBondContact NE2-O 3.03Å; Q165-C192 PolarHBondContact OE1-O 3.27Å |
| 166 | H | 91.4 | Very high | 91.3 | Very high | 45 Ų | 45 | 76.8 Ų | 76.8 | 21% | 0.208 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -105.7 | -117.2 | 177.6 | -64.6 | 167.2 | 0 | 0 | 0 | 110 | Q178 E180 F183 C192 | H166-Q178 WeakPolarHBondContact CB-O 3.16Å; H166-E180 HydrophobicContact CB-CG 4.31Å; H166-E180 PolarHBondContact ND1-N 2.85Å; H166-F183 AromaticContact CE1-CD2 3.86Å; H166-F183 AromaticContact CE1-CG 3.75Å; H166-C192 VanDerWaalsContact CE1-CB 3.41Å; H166-C192 WeakPolarHBondContact CE1-CB 3.29Å; H166-C192 VanDerWaalsContact ND1-CB 3.35Å; H166-C192 WeakPolarHBondContact ND1-CB 3.32Å; H166-C192 PolarHBondContact ND1-SG 2.61Å |
| 167 | R | 92.8 | Very high | 91.3 | Very high | 160 Ų | 160 | 74.3 Ų | 74.3 | 60% | 0.604 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 130.4 | -175.1 | -176 | -179.8 | -176 | -150.7 | 7.6 | 111.1 | C177 Q178 | R167-C177 CarbonylContact O-C 3.59Å; R167-C177 WeakPolarHBondContact O-CA 3.28Å; R167-Q178 HydrophobicContact CB-CB 4.22Å; R167-Q178 PolarHBondContact N-O 3.41Å; R167-Q178 PolarHBondContact O-N 3.49Å |
| 168 | C | 94.2 | Very high | 91.4 | Very high | 32 Ų | 32 | 75.9 Ų | 75.9 | 22% | 0.216 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 137.5 | 171.1 | -172.7 | 0 | 0 | 0 | 0 | 110.4 | C159 C164 | C159-C168 WeakPolarHBondContact CA-SG 3.44Å; C159-C168 HydrophobicContact CB-CB 3.64Å; C159-C168 WeakPolarHBondContact CB-SG 3.23Å; C159-C168 WeakPolarHBondContact SG-CB 3.42Å; C159-C168 CovalentContact SG-SG 2.04Å; C159-C168 PolarHBondContact SG-SG 2.64Å; C164-C168 HydrophobicContact CB-CB 3.96Å; C164-C168 VanDerWaalsContact SG-CB 3.5Å; C164-C168 VanDerWaalsContact SG-SG 3.61Å |
| 169 | V | 94.1 | Very high | 91.5 | Very high | 42 Ų | 42 | 76.2 Ų | 76.2 | 26% | 0.255 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 117.3 | 172.5 | -178.8 | 0 | 0 | 0 | 0 | 108.2 | C159 V171 F175 S176 Q178 | C159-V169 VanDerWaalsContact SG-C 3.52Å; V169-V171 HydrophobicContact CG1-CG1 4.31Å; V169-F175 WeakPolarHBondContact O-CA 3.3Å; V169-S176 PolarHBondContact N-O 2.81Å; V169-S176 PolarHBondContact O-N 2.67Å; V169-Q178 HydrophobicContact CG2-CG 4.29Å |
| 170 | N | 94.1 | Very high | 91.5 | Very high | 58 Ų | 58 | 80.4 Ų | 80.4 | 31% | 0.31 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 130.6 | 176.1 | -168.5 | 48.1 | 0 | 0 | 0 | 109.5 | D155 I156 E158 C159 S174 | D155-N170 PolarHBondContact OD2-ND2 3.13Å; I156-N170 PolarHBondContact O-OD1 3.45Å; E158-N170 PolarHBondContact OE2-OD1 3.42Å; C159-N170 PolarHBondContact SG-N 2.95Å; N170-S174 PolarHBondContact OD1-O 2.76Å |
| 171 | V | 94.2 | Very high | 91.6 | Very high | 53 Ų | 53 | 76.7 Ų | 76.7 | 32% | 0.321 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 147.8 | 179.9 | -63.6 | 0 | 0 | 0 | 0 | 109.3 | V169 G173 S174 | V169-V171 HydrophobicContact CG1-CG1 4.31Å; V171-G173 PolarHBondContact O-N 2.86Å; V171-S174 CarbonylContact C-O 3.22Å; V171-S174 VanDerWaalsContact CG2-O 3.32Å; V171-S174 WeakPolarHBondContact CG2-O 3.45Å; V171-S174 PolarHBondContact N-O 2.98Å; V171-S174 CarbonylContact O-C 3.59Å; V171-S174 PolarHBondContact O-N 3.17Å |
| 172 | P | 93.1 | Very high | 91.7 | Very high | 109 Ų | 109 | 70.8 Ų | 70.8 | 71% | 0.708 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 118 | -177.6 | -27.2 | 35.4 | 0 | 0 | 0 | 112.9 | Y146 | Y146-P172 VanDerWaalsContact OH-CB 3.32Å; Y146-P172 WeakPolarHBondContact OH-CB 3.43Å |
| 173 | G | 90.4 | Very high | 92.3 | Very high | 24 Ų | 24 | 61 Ų | 61 | 25% | 0.247 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | -0.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116 | Y146 D155 V171 | Y146-G173 PolarHBondContact OH-N 2.74Å; D155-G173 PolarHBondContact OD1-N 2.79Å; V171-G173 PolarHBondContact O-N 2.86Å |
| 174 | S | 92.4 | Very high | 92.7 | Very high | 56 Ų | 56 | 61.2 Ų | 61.2 | 39% | 0.392 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.9 | -161.9 | 178.5 | -154.8 | 0 | 0 | 0 | 0 | 113.9 | E158 N170 V171 | E158-S174 VanDerWaalsContact OE2-C 3.27Å; N170-S174 PolarHBondContact OD1-O 2.76Å; V171-S174 CarbonylContact C-O 3.22Å; V171-S174 VanDerWaalsContact CG2-O 3.32Å; V171-S174 WeakPolarHBondContact CG2-O 3.45Å; V171-S174 PolarHBondContact N-O 2.98Å; V171-S174 CarbonylContact O-C 3.59Å; V171-S174 PolarHBondContact O-N 3.17Å |
| 175 | F | 92.8 | Very high | 92.8 | Very high | 36 Ų | 36 | 63.5 Ų | 63.5 | 16% | 0.158 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 156.8 | 172.6 | 67 | -77.9 | 0 | 0 | 0 | 110.7 | E158 Y163 V169 R190 | E158-F175 HydrophobicContact CB-CB 4.24Å; E158-F175 HydrophobicContact CB-CD1 3.73Å; E158-F175 HydrophobicContact CB-CE1 4.42Å; E158-F175 HydrophobicContact CB-CG 4.07Å; E158-F175 HydrophobicContact CG-CD1 3.87Å; Y163-F175 AromaticContact CD1-CE1 3.89Å; Y163-F175 HydrophobicContact CD1-CE1 3.89Å; Y163-F175 HydrophobicContact CD1-CE2 4.38Å; Y163-F175 AromaticContact CD1-CZ 3.75Å; Y163-F175 HydrophobicContact CD1-CZ 3.75Å; Y163-F175 HydrophobicContact CG-CZ 4.37Å; V169-F175 WeakPolarHBondContact O-CA 3.3Å; F175-R190 HydrophobicContact CE2-CG 4.21Å; F175-R190 HydrophobicContact CZ-CG 4.3Å |
| 176 | S | 92.1 | Very high | 92.7 | Very high | 55 Ų | 55 | 59.3 Ų | 59.3 | 39% | 0.385 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 129.7 | 173.5 | -175.6 | 0 | 0 | 0 | 0 | 110.4 | V169 | V169-S176 PolarHBondContact N-O 2.81Å; V169-S176 PolarHBondContact O-N 2.67Å |
| 177 | C | 93.9 | Very high | 92.6 | Very high | 11 Ų | 11 | 61.5 Ų | 61.5 | 7% | 0.074 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 133.9 | 171.8 | -58.4 | 0 | 0 | 0 | 0 | 110.7 | C164 R167 N189 | C164-C177 VanDerWaalsContact CA-SG 3.52Å; C164-C177 HydrophobicContact CB-CB 3.69Å; C164-C177 WeakPolarHBondContact CB-SG 3.39Å; C164-C177 WeakPolarHBondContact SG-CA 3.47Å; C164-C177 WeakPolarHBondContact SG-CB 3.26Å; C164-C177 CovalentContact SG-SG 2.02Å; C164-C177 PolarHBondContact SG-SG 3.18Å; R167-C177 CarbonylContact O-C 3.59Å; R167-C177 WeakPolarHBondContact O-CA 3.28Å; C177-N189 WeakPolarHBondContact CB-O 3.25Å; C177-N189 PolarHBondContact SG-O 2.87Å; C177-N189 VanDerWaalsContact SG-O 3.34Å |
| 178 | Q | 93.9 | Very high | 92.4 | Very high | 79 Ų | 79 | 58.2 Ų | 58.2 | 37% | 0.369 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 132 | 175 | -65.8 | 179.9 | -1.8 | 0 | 0 | 109.2 | H166 R167 V169 | H166-Q178 WeakPolarHBondContact CB-O 3.16Å; R167-Q178 HydrophobicContact CB-CB 4.22Å; R167-Q178 PolarHBondContact N-O 3.41Å; R167-Q178 PolarHBondContact O-N 3.49Å; V169-Q178 HydrophobicContact CG2-CG 4.29Å |
| 179 | C | 94.3 | Very high | 92.1 | Very high | 31 Ų | 31 | 62.2 Ų | 62.2 | 21% | 0.209 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -90.4 | 148.1 | 177.9 | -61.6 | 0 | 0 | 0 | 0 | 111.1 | F183 C192 | C179-F183 HydrophobicContact CB-CB 3.77Å; C179-C192 WeakPolarHBondContact CA-SG 3.49Å; C179-C192 HydrophobicContact CB-CB 3.8Å; C179-C192 WeakPolarHBondContact CB-SG 3.47Å; C179-C192 WeakPolarHBondContact SG-CA 3.37Å; C179-C192 WeakPolarHBondContact SG-CB 3.48Å; C179-C192 CovalentContact SG-SG 2.04Å; C179-C192 PolarHBondContact SG-SG 2.95Å |
| 180 | E | 93.6 | Very high | 91.9 | Very high | 119 Ų | 119 | 65.2 Ų | 65.2 | 56% | 0.556 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 158.7 | 168.7 | -64.5 | -173.1 | 165.6 | 0 | 0 | 111.2 | H166 F183 | H166-E180 HydrophobicContact CB-CG 4.31Å; H166-E180 PolarHBondContact ND1-N 2.85Å; E180-F183 HydrophobicContact CB-CD2 4.25Å; E180-F183 WeakPolarHBondContact O-CB 3.28Å; E180-F183 PolarHBondContact O-N 2.87Å; E180-F183 VanDerWaalsContact O-N 3.13Å |
| 181 | P | 91.2 | Very high | 91.8 | Very high | 121 Ų | 121 | 64 Ų | 64 | 79% | 0.786 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 141.9 | 174.5 | -24.6 | 34.7 | 0 | 0 | 0 | 111.9 | F183 | P181-F183 VanDerWaalsContact C-N 3.31Å; P181-F183 WeakPolarHBondContact O-CD2 3.41Å |
| 182 | G | 89.9 | Confident | 91.8 | Very high | 22 Ų | 22 | 61.8 Ų | 61.8 | 23% | 0.227 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | -0 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | V195 | G182-V195 WeakPolarHBondContact O-CB 3.22Å; G182-V195 PolarHBondContact O-N 2.05Å |
| 183 | F | 94.1 | Very high | 91.8 | Very high | 24 Ų | 24 | 59.4 Ų | 59.4 | 11% | 0.105 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 150.4 | 178 | -61.3 | -92.1 | 0 | 0 | 0 | 111.8 | H166 C179 E180 P181 C192 V193 D194 Y212 | H166-F183 AromaticContact CE1-CD2 3.86Å; H166-F183 AromaticContact CE1-CG 3.75Å; C179-F183 HydrophobicContact CB-CB 3.77Å; E180-F183 HydrophobicContact CB-CD2 4.25Å; E180-F183 WeakPolarHBondContact O-CB 3.28Å; E180-F183 PolarHBondContact O-N 2.87Å; E180-F183 VanDerWaalsContact O-N 3.13Å; P181-F183 VanDerWaalsContact C-N 3.31Å; P181-F183 WeakPolarHBondContact O-CD2 3.41Å; F183-C192 HydrophobicContact CB-CB 4.08Å; F183-V193 CarbonylContact C-O 3.51Å; F183-V193 VanDerWaalsContact CA-O 3.31Å; F183-V193 WeakPolarHBondContact CA-O 3.41Å; F183-D194 HydrophobicContact CD1-CB 4.2Å; F183-D194 HydrophobicContact CE1-CB 3.97Å; F183-Y212 HydrophobicContact CE1-CD1 4.2Å; F183-Y212 HydrophobicContact CE1-CD2 4.02Å; F183-Y212 AromaticContact CE1-CE1 3.74Å; F183-Y212 HydrophobicContact CE1-CE1 3.74Å; F183-Y212 AromaticContact CE1-CE2 3.55Å; F183-Y212 HydrophobicContact CE1-CE2 3.55Å; F183-Y212 HydrophobicContact CE1-CG 4.32Å; F183-Y212 AromaticContact CE1-CZ 3.38Å; F183-Y212 HydrophobicContact CE2-CE1 4.35Å; F183-Y212 AromaticContact CZ-CD1 3.62Å; F183-Y212 HydrophobicContact CZ-CD1 3.62Å; F183-Y212 HydrophobicContact CZ-CD2 4.23Å; F183-Y212 AromaticContact CZ-CE1 3.3Å; F183-Y212 HydrophobicContact CZ-CE1 3.3Å; F183-Y212 AromaticContact CZ-CE2 3.98Å; F183-Y212 HydrophobicContact CZ-CE2 3.98Å; F183-Y212 HydrophobicContact CZ-CG 4.07Å; F183-Y212 AromaticContact CZ-CZ 3.49Å; F183-Y212 VanDerWaalsContact CZ-CZ 3.49Å |
| 184 | Q | 93.2 | Very high | 92 | Very high | 98 Ų | 98 | 60.4 Ų | 60.4 | 46% | 0.458 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 155.1 | 174.3 | 65.3 | -178.9 | 21.9 | 0 | 0 | 111.2 | G186 C192 V193 V195 | Q184-G186 PolarHBondContact O-N 3.39Å; Q184-C192 WeakPolarHBondContact O-CA 3.27Å; Q184-V193 HydrophobicContact CG-CG2 3.51Å; Q184-V193 PolarHBondContact N-O 3.37Å; Q184-V193 PolarHBondContact O-N 2.99Å; Q184-V195 HydrophobicContact CB-CG2 3.83Å; Q184-V195 HydrophobicContact CG-CG2 3.87Å |
| 185 | V | 92.8 | Very high | 92.1 | Very high | 62 Ų | 62 | 58.8 Ų | 58.8 | 38% | 0.376 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 123.1 | 179.2 | -180 | 0 | 0 | 0 | 0 | 109.1 | N189 | V185-N189 HydrophobicContact CG1-CB 4.39Å |
| 186 | G | 88.6 | Confident | 92.1 | Very high | 8 Ų | 8 | 59 Ų | 59 | 8% | 0.082 | 35% | 0.347 | C | S | . | . | trans | -74.4 | 171.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q184 N188 N189 S191 | Q184-G186 PolarHBondContact O-N 3.39Å; G186-N188 PolarHBondContact O-N 3.4Å; G186-N189 PolarHBondContact O-N 2.85Å; G186-S191 PolarHBondContact N-O 3.1Å | ||
| 187 | G | 88.4 | Confident | 92.1 | Very high | 92 Ų | 92 | 58 Ų | 58 | 95% | 0.948 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -10.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 188 | N | 89.6 | Confident | 92.1 | Very high | 90 Ų | 90 | 59.2 Ų | 59.2 | 48% | 0.481 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 3.2 | 174.5 | 65.2 | 3.6 | 0 | 0 | 0 | 113.5 | G186 R190 S191 | G186-N188 PolarHBondContact O-N 3.4Å; N188-R190 WeakPolarHBondContact O-CG 3.34Å; N188-R190 PolarHBondContact O-N 2.84Å; N188-R190 VanDerWaalsContact O-N 3.09Å; N188-R190 PolarHBondContact OD1-N 3.41Å; N188-S191 VanDerWaalsContact CG-OG 3.29Å; N188-S191 PolarHBondContact ND2-OG 3Å; N188-S191 PolarHBondContact OD1-N 3.41Å; N188-S191 PolarHBondContact OD1-OG 3.21Å |
| 189 | N | 87.8 | Confident | 92 | Very high | 116 Ų | 116 | 63.2 Ų | 63.2 | 62% | 0.62 | 36% | 0.364 | S | S | * | . | S | Bend | trans | 55.9 | 18.6 | -175 | -71.2 | -3.8 | 0 | 0 | 0 | 115.7 | C177 V185 G186 | C177-N189 WeakPolarHBondContact CB-O 3.25Å; C177-N189 PolarHBondContact SG-O 2.87Å; C177-N189 VanDerWaalsContact SG-O 3.34Å; V185-N189 HydrophobicContact CG1-CB 4.39Å; G186-N189 PolarHBondContact O-N 2.85Å |
| 190 | R | 89.3 | Confident | 91.5 | Very high | 105 Ų | 105 | 68 Ų | 68 | 40% | 0.396 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -131.9 | -37.5 | -174.5 | -67.7 | 174.6 | -176.5 | -135.4 | -2.4 | 114 | Y163 Q165 F175 N188 | Y163-R190 VanDerWaalsContact CD1-CZ 3.44Å; Y163-R190 VanDerWaalsContact CE1-NH1 3.28Å; Q165-R190 PolarHBondContact N-O 2.79Å; F175-R190 HydrophobicContact CE2-CG 4.21Å; F175-R190 HydrophobicContact CZ-CG 4.3Å; N188-R190 WeakPolarHBondContact O-CG 3.34Å; N188-R190 PolarHBondContact O-N 2.84Å; N188-R190 VanDerWaalsContact O-N 3.09Å; N188-R190 PolarHBondContact OD1-N 3.41Å |
| 191 | S | 92.3 | Very high | 90.9 | Very high | 32 Ų | 32 | 65.4 Ų | 65.4 | 22% | 0.224 | 39% | 0.39 | C | S | . | . | trans | -87.7 | 149.7 | 175.6 | 53.9 | 0 | 0 | 0 | 0 | 111.1 | G186 N188 | G186-S191 PolarHBondContact N-O 3.1Å; N188-S191 VanDerWaalsContact CG-OG 3.29Å; N188-S191 PolarHBondContact ND2-OG 3Å; N188-S191 PolarHBondContact OD1-N 3.41Å; N188-S191 PolarHBondContact OD1-OG 3.21Å | ||
| 192 | C | 93.8 | Very high | 90.2 | Very high | 7 Ų | 7 | 60.6 Ų | 60.6 | 5% | 0.047 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 121.8 | 173.2 | -67.6 | 0 | 0 | 0 | 0 | 108.3 | Q165 H166 C179 F183 Q184 | Q165-C192 PolarHBondContact NE2-O 3.03Å; Q165-C192 PolarHBondContact OE1-O 3.27Å; H166-C192 VanDerWaalsContact CE1-CB 3.41Å; H166-C192 WeakPolarHBondContact CE1-CB 3.29Å; H166-C192 VanDerWaalsContact ND1-CB 3.35Å; H166-C192 WeakPolarHBondContact ND1-CB 3.32Å; H166-C192 PolarHBondContact ND1-SG 2.61Å; C179-C192 WeakPolarHBondContact CA-SG 3.49Å; C179-C192 HydrophobicContact CB-CB 3.8Å; C179-C192 WeakPolarHBondContact CB-SG 3.47Å; C179-C192 WeakPolarHBondContact SG-CA 3.37Å; C179-C192 WeakPolarHBondContact SG-CB 3.48Å; C179-C192 CovalentContact SG-SG 2.04Å; C179-C192 PolarHBondContact SG-SG 2.95Å; F183-C192 HydrophobicContact CB-CB 4.08Å; Q184-C192 WeakPolarHBondContact O-CA 3.27Å |
| 193 | V | 93.9 | Very high | 89.9 | Confident | 60 Ų | 60 | 63.5 Ų | 63.5 | 36% | 0.364 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 139.4 | 175.8 | -59.4 | 0 | 0 | 0 | 0 | 108.6 | F183 Q184 | F183-V193 CarbonylContact C-O 3.51Å; F183-V193 VanDerWaalsContact CA-O 3.31Å; F183-V193 WeakPolarHBondContact CA-O 3.41Å; Q184-V193 HydrophobicContact CG-CG2 3.51Å; Q184-V193 PolarHBondContact N-O 3.37Å; Q184-V193 PolarHBondContact O-N 2.99Å |
| 194 | D | 94.9 | Very high | 89.7 | Confident | 45 Ų | 45 | 63.3 Ų | 63.3 | 24% | 0.241 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 134.9 | 177.3 | -172.6 | 61.6 | 0 | 0 | 0 | 110.5 | F183 N210 G213 | F183-D194 HydrophobicContact CD1-CB 4.2Å; F183-D194 HydrophobicContact CE1-CB 3.97Å; D194-N210 PolarHBondContact OD2-ND2 3.16Å; D194-G213 WeakPolarHBondContact OD1-CA 3.38Å; D194-G213 PolarHBondContact OD1-N 3.31Å |
| 195 | V | 93.2 | Very high | 89.7 | Confident | 21 Ų | 21 | 61.8 Ų | 61.8 | 13% | 0.127 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -85.3 | 120.5 | 174.4 | 173.6 | 0 | 0 | 0 | 0 | 107.3 | G182 Q184 E197 M200 N210 | G182-V195 WeakPolarHBondContact O-CB 3.22Å; G182-V195 PolarHBondContact O-N 2.05Å; Q184-V195 HydrophobicContact CB-CG2 3.83Å; Q184-V195 HydrophobicContact CG-CG2 3.87Å; V195-E197 HydrophobicContact CG1-CG 4.5Å; V195-E197 PolarHBondContact O-N 3.42Å; V195-E197 VanDerWaalsContact O-N 3.1Å; V195-E197 VanDerWaalsContact O-OE2 3.05Å; V195-M200 HydrophobicContact CG1-CE 3.82Å; V195-M200 HydrophobicContact CG1-SD 3.54Å; V195-M200 VanDerWaalsContact CG1-SD 3.54Å; V195-N210 PolarHBondContact O-OD1 3.06Å |
| 196 | N | 93.3 | Very high | 89.7 | Confident | 40 Ų | 40 | 61.6 Ų | 61.6 | 21% | 0.214 | 37% | 0.372 | C | S | . | . | trans | -79.8 | 93.5 | 174.8 | -174 | -13.4 | 0 | 0 | 0 | 110.1 | C198 E199 M200 N210 | N196-C198 PolarHBondContact O-N 3.46Å; N196-C198 VanDerWaalsContact OD1-CB 3.29Å; N196-C198 WeakPolarHBondContact OD1-CB 3.25Å; N196-C198 PolarHBondContact OD1-N 3.49Å; N196-C198 VanDerWaalsContact OD1-N 3.14Å; N196-E199 HydrophobicContact CB-CB 4.37Å; N196-E199 HydrophobicContact CB-CG 4.46Å; N196-E199 WeakPolarHBondContact ND2-CG 3.5Å; N196-E199 PolarHBondContact ND2-OE1 2.85Å; N196-E199 PolarHBondContact O-N 3.41Å; N196-E199 PolarHBondContact OD1-N 3.37Å; N196-M200 PolarHBondContact O-N 3.25Å; N196-N210 WeakPolarHBondContact OD1-CB 3.11Å | ||
| 197 | E | 93 | Very high | 89.9 | Confident | 34 Ų | 34 | 67.3 Ų | 67.3 | 16% | 0.159 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -25.7 | -178.6 | -59.3 | 89.5 | 169.1 | 0 | 0 | 112.2 | V195 E199 M200 G201 A202 N210 F215 | V195-E197 HydrophobicContact CG1-CG 4.5Å; V195-E197 PolarHBondContact O-N 3.42Å; V195-E197 VanDerWaalsContact O-N 3.1Å; V195-E197 VanDerWaalsContact O-OE2 3.05Å; E197-E199 VanDerWaalsContact C-N 3.32Å; E197-E199 PolarHBondContact O-N 3.35Å; E197-M200 PolarHBondContact O-N 2.85Å; E197-G201 PolarHBondContact O-N 2.68Å; E197-A202 WeakPolarHBondContact O-CA 3.48Å; E197-A202 WeakPolarHBondContact O-CB 3.46Å; E197-A202 PolarHBondContact O-N 3.42Å; E197-N210 PolarHBondContact OE2-OD1 2.85Å; E197-N210 VanDerWaalsContact OE2-OD1 3.12Å; E197-F215 HydrophobicContact CB-CB 4.27Å; E197-F215 HydrophobicContact CB-CD1 3.54Å; E197-F215 HydrophobicContact CB-CE1 4.06Å; E197-F215 HydrophobicContact CB-CG 3.97Å; E197-F215 HydrophobicContact CG-CD1 3.67Å; E197-F215 HydrophobicContact CG-CE1 4.15Å |
| 198 | C | 92.4 | Very high | 90.3 | Very high | 38 Ų | 38 | 64.7 Ų | 64.7 | 26% | 0.257 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -33.3 | 177.3 | -55.3 | 0 | 0 | 0 | 0 | 112.8 | N196 M200 C208 F209 N210 | N196-C198 PolarHBondContact O-N 3.46Å; N196-C198 VanDerWaalsContact OD1-CB 3.29Å; N196-C198 WeakPolarHBondContact OD1-CB 3.25Å; N196-C198 PolarHBondContact OD1-N 3.49Å; N196-C198 VanDerWaalsContact OD1-N 3.14Å; C198-M200 VanDerWaalsContact C-N 3.35Å; C198-C208 WeakPolarHBondContact CA-SG 3.25Å; C198-C208 HydrophobicContact CB-CB 3.71Å; C198-C208 WeakPolarHBondContact CB-SG 3.38Å; C198-C208 WeakPolarHBondContact SG-CB 3.36Å; C198-C208 CovalentContact SG-SG 2.04Å; C198-C208 PolarHBondContact SG-SG 2.85Å; C198-F209 VanDerWaalsContact SG-C 3.51Å; C198-F209 PolarHBondContact SG-N 2.97Å; C198-F209 VanDerWaalsContact SG-N 3.44Å; C198-N210 PolarHBondContact SG-N 3.36Å |
| 199 | E | 92.1 | Very high | 90.5 | Very high | 162 Ų | 162 | 63.7 Ų | 63.7 | 76% | 0.757 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -20.9 | 175.3 | -74.6 | 176 | -168.3 | 0 | 0 | 112.5 | N196 E197 G201 | N196-E199 HydrophobicContact CB-CB 4.37Å; N196-E199 HydrophobicContact CB-CG 4.46Å; N196-E199 WeakPolarHBondContact ND2-CG 3.5Å; N196-E199 PolarHBondContact ND2-OE1 2.85Å; N196-E199 PolarHBondContact O-N 3.41Å; N196-E199 PolarHBondContact OD1-N 3.37Å; E197-E199 VanDerWaalsContact C-N 3.32Å; E197-E199 PolarHBondContact O-N 3.35Å; E199-G201 VanDerWaalsContact C-N 3.3Å |
| 200 | M | 85.5 | Confident | 90.7 | Very high | 131 Ų | 131 | 60.9 Ų | 60.9 | 65% | 0.645 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | 7.3 | 177.9 | -65.2 | -167.2 | 168.7 | 0 | 0 | 113.8 | V195 N196 E197 C198 | V195-M200 HydrophobicContact CG1-CE 3.82Å; V195-M200 HydrophobicContact CG1-SD 3.54Å; V195-M200 VanDerWaalsContact CG1-SD 3.54Å; N196-M200 PolarHBondContact O-N 3.25Å; E197-M200 PolarHBondContact O-N 2.85Å; C198-M200 VanDerWaalsContact C-N 3.35Å |
| 201 | G | 79.6 | Confident | 90.8 | Very high | 65 Ų | 65 | 57.8 Ų | 57.8 | 67% | 0.67 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.6 | 48.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | E197 E199 | E197-G201 PolarHBondContact O-N 2.68Å; E199-G201 VanDerWaalsContact C-N 3.3Å |
| 202 | A | 77.8 | Confident | 90.8 | Very high | 21 Ų | 21 | 64 Ų | 64 | 17% | 0.174 | 35% | 0.347 | C | S | . | . | trans | -45.8 | 145.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E197 C204 C208 F215 | E197-A202 WeakPolarHBondContact O-CA 3.48Å; E197-A202 WeakPolarHBondContact O-CB 3.46Å; E197-A202 PolarHBondContact O-N 3.42Å; A202-C204 PolarHBondContact O-N 3Å; A202-C208 HydrophobicContact CB-CB 4.18Å; A202-C208 WeakPolarHBondContact CB-SG 3.23Å; A202-F215 HydrophobicContact CB-CD2 4.14Å; A202-F215 HydrophobicContact CB-CE2 4.07Å | ||
| 203 | P | 82.1 | Confident | 90.6 | Very high | 83 Ų | 83 | 64.7 Ų | 64.7 | 54% | 0.539 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -71 | 10.2 | -177.3 | 30.9 | -37.5 | 0 | 0 | 0 | 114.6 | S205 F215 F230 | P203-S205 PolarHBondContact O-N 2.91Å; P203-F215 HydrophobicContact CG-CE2 4.01Å; P203-F215 HydrophobicContact CG-CZ 3.7Å; P203-F230 HydrophobicContact CB-CD1 4.34Å; P203-F230 HydrophobicContact CB-CG 4.38Å; P203-F230 HydrophobicContact CG-CD1 3.63Å; P203-F230 HydrophobicContact CG-CE1 3.82Å; P203-F230 HydrophobicContact CG-CG 4.09Å; P203-F230 HydrophobicContact CG-CZ 4.38Å |
| 204 | C | 90.8 | Very high | 90.5 | Very high | 20 Ų | 20 | 65.2 Ų | 65.2 | 14% | 0.135 | 36% | 0.358 | C | S | . | . | trans | -66.8 | 128.6 | 179.3 | -59.1 | 0 | 0 | 0 | 0 | 110.8 | A202 Q206 C208 C217 | A202-C204 PolarHBondContact O-N 3Å; C204-Q206 VanDerWaalsContact C-N 3.29Å; C204-Q206 PolarHBondContact O-N 2.77Å; C204-C208 HydrophobicContact CB-CB 4.08Å; C204-C208 VanDerWaalsContact SG-CB 3.56Å; C204-C217 WeakPolarHBondContact CA-SG 3.38Å; C204-C217 HydrophobicContact CB-CB 3.8Å; C204-C217 WeakPolarHBondContact CB-SG 3.35Å; C204-C217 VanDerWaalsContact SG-CA 3.53Å; C204-C217 WeakPolarHBondContact SG-CB 3.37Å; C204-C217 CovalentContact SG-SG 2.02Å; C204-C217 PolarHBondContact SG-SG 2.69Å | ||
| 205 | S | 92.7 | Very high | 90.4 | Very high | 66 Ų | 66 | 64.9 Ų | 64.9 | 46% | 0.462 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -65.5 | -28.9 | 174.8 | 55.1 | 0 | 0 | 0 | 0 | 114.2 | P203 F230 T231 C232 | P203-S205 PolarHBondContact O-N 2.91Å; S205-F230 PolarHBondContact N-O 2.9Å; S205-F230 PolarHBondContact OG-O 3.46Å; S205-T231 WeakPolarHBondContact OG-CA 3.22Å; S205-C232 WeakPolarHBondContact OG-CB 3.3Å; S205-C232 PolarHBondContact OG-N 2.73Å |
| 206 | Q | 92.9 | Very high | 90.3 | Very high | 58 Ų | 58 | 67.7 Ų | 67.7 | 27% | 0.271 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -128 | -93.3 | -178.4 | -65.7 | 178.3 | 0.9 | 0 | 0 | 111.3 | C204 C219 Y223 C232 | C204-Q206 VanDerWaalsContact C-N 3.29Å; C204-Q206 PolarHBondContact O-N 2.77Å; Q206-C219 VanDerWaalsContact OE1-CA 3.31Å; Q206-Y223 VanDerWaalsContact NE2-CD1 3.27Å; Q206-Y223 VanDerWaalsContact NE2-CG 3.32Å; Q206-C232 HydrophobicContact CG-CB 3.88Å |
| 207 | R | 93.6 | Very high | 90.4 | Very high | 128 Ų | 128 | 66.2 Ų | 66.2 | 48% | 0.483 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 127.5 | -172.5 | -60.3 | 173.6 | 61 | 163.2 | 5.3 | 111.5 | F209 C217 R218 D220 | R207-F209 HydrophobicContact CB-CE2 3.78Å; R207-F209 HydrophobicContact CB-CZ 4.41Å; R207-C217 CarbonylContact O-C 3.46Å; R207-C217 VanDerWaalsContact O-CA 3.29Å; R207-C217 WeakPolarHBondContact O-CA 3.33Å; R207-R218 WeakPolarHBondContact CB-O 3.38Å; R207-R218 PolarHBondContact N-O 3.2Å; R207-R218 PolarHBondContact O-N 3.03Å; R207-D220 WeakPolarHBondContact CD-OD1 3.48Å; R207-D220 IonicContact NH1-OD1 2.94Å |
| 208 | C | 95 | Very high | 90.4 | Very high | 37 Ų | 37 | 71.2 Ų | 71.2 | 25% | 0.25 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 138.7 | 173.8 | -173.9 | 0 | 0 | 0 | 0 | 110.8 | C198 A202 C204 | C198-C208 WeakPolarHBondContact CA-SG 3.25Å; C198-C208 HydrophobicContact CB-CB 3.71Å; C198-C208 WeakPolarHBondContact CB-SG 3.38Å; C198-C208 WeakPolarHBondContact SG-CB 3.36Å; C198-C208 CovalentContact SG-SG 2.04Å; C198-C208 PolarHBondContact SG-SG 2.85Å; A202-C208 HydrophobicContact CB-CB 4.18Å; A202-C208 WeakPolarHBondContact CB-SG 3.23Å; C204-C208 HydrophobicContact CB-CB 4.08Å; C204-C208 VanDerWaalsContact SG-CB 3.56Å |
| 209 | F | 93.8 | Very high | 90.6 | Very high | 68 Ų | 68 | 70.9 Ų | 70.9 | 30% | 0.298 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 117.6 | 173 | -64.1 | -92.8 | 0 | 0 | 0 | 109.2 | C198 R207 F215 M216 R218 | C198-F209 VanDerWaalsContact SG-C 3.51Å; C198-F209 PolarHBondContact SG-N 2.97Å; C198-F209 VanDerWaalsContact SG-N 3.44Å; R207-F209 HydrophobicContact CB-CE2 3.78Å; R207-F209 HydrophobicContact CB-CZ 4.41Å; F209-F215 WeakPolarHBondContact O-CA 3.37Å; F209-M216 HydrophobicContact CB-CG 3.84Å; F209-M216 PolarHBondContact N-O 3.2Å; F209-M216 PolarHBondContact O-N 3.49Å; F209-R218 HydrophobicContact CD2-CB 4.2Å; F209-R218 HydrophobicContact CD2-CG 3.8Å; F209-R218 HydrophobicContact CE2-CB 3.78Å; F209-R218 HydrophobicContact CE2-CG 3.78Å |
| 210 | N | 92.9 | Very high | 90.8 | Very high | 57 Ų | 57 | 66.5 Ų | 66.5 | 31% | 0.305 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 138.1 | 175.1 | -169.3 | 46.4 | 0 | 0 | 0 | 110.3 | D194 V195 N196 E197 C198 | D194-N210 PolarHBondContact OD2-ND2 3.16Å; V195-N210 PolarHBondContact O-OD1 3.06Å; N196-N210 WeakPolarHBondContact OD1-CB 3.11Å; E197-N210 PolarHBondContact OE2-OD1 2.85Å; E197-N210 VanDerWaalsContact OE2-OD1 3.12Å; C198-N210 PolarHBondContact SG-N 3.36Å |
| 211 | T | 92.1 | Very high | 91.2 | Very high | 40 Ų | 40 | 69.2 Ų | 69.2 | 25% | 0.245 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 166.8 | 177.2 | 56.3 | 0 | 0 | 0 | 0 | 109.7 | G213 T214 M216 | T211-G213 PolarHBondContact O-N 2.9Å; T211-T214 CarbonylContact C-O 3.33Å; T211-T214 VanDerWaalsContact CA-O 3.25Å; T211-T214 WeakPolarHBondContact CA-O 3.3Å; T211-T214 WeakPolarHBondContact CB-O 3.44Å; T211-T214 PolarHBondContact N-O 2.03Å; T211-T214 PolarHBondContact O-N 2.04Å; T211-T214 WeakPolarHBondContact OG1-CG2 3.27Å; T211-T214 PolarHBondContact OG1-O 3.49Å; T211-M216 HydrophobicContact CG2-CE 3.58Å; T211-M216 HydrophobicContact CG2-CG 4.24Å |
| 212 | Y | 92.4 | Very high | 91.9 | Very high | 163 Ų | 163 | 66.8 Ų | 66.8 | 64% | 0.639 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | 113.3 | -178.3 | -170.2 | -93.9 | 0 | 0 | 0 | 110.9 | F183 | F183-Y212 HydrophobicContact CE1-CD1 4.2Å; F183-Y212 HydrophobicContact CE1-CD2 4.02Å; F183-Y212 AromaticContact CE1-CE1 3.74Å; F183-Y212 HydrophobicContact CE1-CE1 3.74Å; F183-Y212 AromaticContact CE1-CE2 3.55Å; F183-Y212 HydrophobicContact CE1-CE2 3.55Å; F183-Y212 HydrophobicContact CE1-CG 4.32Å; F183-Y212 AromaticContact CE1-CZ 3.38Å; F183-Y212 HydrophobicContact CE2-CE1 4.35Å; F183-Y212 AromaticContact CZ-CD1 3.62Å; F183-Y212 HydrophobicContact CZ-CD1 3.62Å; F183-Y212 HydrophobicContact CZ-CD2 4.23Å; F183-Y212 AromaticContact CZ-CE1 3.3Å; F183-Y212 HydrophobicContact CZ-CE1 3.3Å; F183-Y212 AromaticContact CZ-CE2 3.98Å; F183-Y212 HydrophobicContact CZ-CE2 3.98Å; F183-Y212 HydrophobicContact CZ-CG 4.07Å; F183-Y212 AromaticContact CZ-CZ 3.49Å; F183-Y212 VanDerWaalsContact CZ-CZ 3.49Å |
| 213 | G | 89.7 | Confident | 92.7 | Very high | 21 Ų | 21 | 68.7 Ų | 68.7 | 22% | 0.216 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | 5.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | D194 T211 | D194-G213 WeakPolarHBondContact OD1-CA 3.38Å; D194-G213 PolarHBondContact OD1-N 3.31Å; T211-G213 PolarHBondContact O-N 2.9Å |
| 214 | T | 90.9 | Very high | 93.3 | Very high | 71 Ų | 71 | 70.2 Ų | 70.2 | 44% | 0.436 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.5 | -173.8 | -179.1 | -168.7 | 0 | 0 | 0 | 0 | 110.8 | T211 | T211-T214 CarbonylContact C-O 3.33Å; T211-T214 VanDerWaalsContact CA-O 3.25Å; T211-T214 WeakPolarHBondContact CA-O 3.3Å; T211-T214 WeakPolarHBondContact CB-O 3.44Å; T211-T214 PolarHBondContact N-O 2.03Å; T211-T214 PolarHBondContact O-N 2.04Å; T211-T214 WeakPolarHBondContact OG1-CG2 3.27Å; T211-T214 PolarHBondContact OG1-O 3.49Å |
| 215 | F | 92.2 | Very high | 93.5 | Very high | 39 Ų | 39 | 73.1 Ų | 73.1 | 17% | 0.171 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 163.3 | 172.4 | 65.9 | -75.6 | 0 | 0 | 0 | 111.1 | E197 A202 P203 F209 F230 | E197-F215 HydrophobicContact CB-CB 4.27Å; E197-F215 HydrophobicContact CB-CD1 3.54Å; E197-F215 HydrophobicContact CB-CE1 4.06Å; E197-F215 HydrophobicContact CB-CG 3.97Å; E197-F215 HydrophobicContact CG-CD1 3.67Å; E197-F215 HydrophobicContact CG-CE1 4.15Å; A202-F215 HydrophobicContact CB-CD2 4.14Å; A202-F215 HydrophobicContact CB-CE2 4.07Å; P203-F215 HydrophobicContact CG-CE2 4.01Å; P203-F215 HydrophobicContact CG-CZ 3.7Å; F209-F215 WeakPolarHBondContact O-CA 3.37Å; F215-F230 HydrophobicContact CE1-CE1 4.49Å; F215-F230 AromaticContact CE2-CD1 3.9Å; F215-F230 HydrophobicContact CE2-CD1 3.9Å; F215-F230 AromaticContact CE2-CE1 3.53Å; F215-F230 HydrophobicContact CE2-CE1 3.53Å; F215-F230 HydrophobicContact CZ-CD1 4.13Å; F215-F230 AromaticContact CZ-CE1 3.39Å; F215-F230 HydrophobicContact CZ-CE1 3.39Å; F215-F230 HydrophobicContact CZ-CZ 4.22Å |
| 216 | M | 91.7 | Very high | 93.5 | Very high | 79 Ų | 79 | 70.4 Ų | 70.4 | 39% | 0.389 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 140.4 | 170.2 | 68.4 | 172 | 75.1 | 0 | 0 | 111 | F209 T211 R218 | F209-M216 HydrophobicContact CB-CG 3.84Å; F209-M216 PolarHBondContact N-O 3.2Å; F209-M216 PolarHBondContact O-N 3.49Å; T211-M216 HydrophobicContact CG2-CE 3.58Å; T211-M216 HydrophobicContact CG2-CG 4.24Å; M216-R218 PolarHBondContact SD-NH2 3.26Å |
| 217 | C | 94.6 | Very high | 93.5 | Very high | 10 Ų | 10 | 74.5 Ų | 74.5 | 7% | 0.068 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 144.6 | 169.2 | -53.3 | 0 | 0 | 0 | 0 | 110.3 | C204 R207 L225 G229 F230 | C204-C217 WeakPolarHBondContact CA-SG 3.38Å; C204-C217 HydrophobicContact CB-CB 3.8Å; C204-C217 WeakPolarHBondContact CB-SG 3.35Å; C204-C217 VanDerWaalsContact SG-CA 3.53Å; C204-C217 WeakPolarHBondContact SG-CB 3.37Å; C204-C217 CovalentContact SG-SG 2.02Å; C204-C217 PolarHBondContact SG-SG 2.69Å; R207-C217 CarbonylContact O-C 3.46Å; R207-C217 VanDerWaalsContact O-CA 3.29Å; R207-C217 WeakPolarHBondContact O-CA 3.33Å; C217-L225 HydrophobicContact CB-CD1 4.08Å; C217-G229 WeakPolarHBondContact CB-O 3.01Å; C217-F230 VanDerWaalsContact SG-CD1 3.6Å |
| 218 | R | 94.4 | Very high | 93.3 | Very high | 138 Ų | 138 | 71.9 Ų | 71.9 | 52% | 0.521 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 149.1 | 167.9 | -56.7 | -174.8 | 178.3 | -179.7 | -0.7 | 109.9 | R207 F209 M216 | R207-R218 WeakPolarHBondContact CB-O 3.38Å; R207-R218 PolarHBondContact N-O 3.2Å; R207-R218 PolarHBondContact O-N 3.03Å; F209-R218 HydrophobicContact CD2-CB 4.2Å; F209-R218 HydrophobicContact CD2-CG 3.8Å; F209-R218 HydrophobicContact CE2-CB 3.78Å; F209-R218 HydrophobicContact CE2-CG 3.78Å; M216-R218 PolarHBondContact SD-NH2 3.26Å |
| 219 | C | 96.1 | Very high | 93.1 | Very high | 32 Ų | 32 | 71.5 Ų | 71.5 | 22% | 0.216 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -96.3 | 149.9 | 179.1 | -53.3 | 0 | 0 | 0 | 0 | 111.1 | Q206 C232 | Q206-C219 VanDerWaalsContact OE1-CA 3.31Å; C219-C232 WeakPolarHBondContact CA-SG 3.42Å; C219-C232 HydrophobicContact CB-CB 3.7Å; C219-C232 WeakPolarHBondContact CB-SG 3.39Å; C219-C232 WeakPolarHBondContact SG-CA 3.4Å; C219-C232 WeakPolarHBondContact SG-CB 3.41Å; C219-C232 CovalentContact SG-SG 2.04Å; C219-C232 PolarHBondContact SG-SG 3.15Å |
| 220 | D | 95.4 | Very high | 93 | Very high | 70 Ų | 70 | 72 Ų | 72 | 37% | 0.374 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 167 | 169.9 | -71.8 | -38.2 | 0 | 0 | 0 | 110.7 | R207 G222 Y223 | R207-D220 WeakPolarHBondContact CD-OD1 3.48Å; R207-D220 IonicContact NH1-OD1 2.94Å; D220-G222 PolarHBondContact O-N 3.07Å; D220-Y223 HydrophobicContact CB-CD2 4.4Å; D220-Y223 PolarHBondContact O-N 3.37Å; D220-Y223 VanDerWaalsContact O-N 3.17Å |
| 221 | Q | 94.5 | Very high | 93.1 | Very high | 188 Ų | 188 | 72 Ų | 72 | 88% | 0.879 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 135.3 | 178.7 | -174.2 | 176.3 | -0.9 | 0 | 0 | 110.6 | ||
| 222 | G | 93.3 | Very high | 93.3 | Very high | 14 Ų | 14 | 70.8 Ų | 70.8 | 14% | 0.144 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.4 | 3.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | D220 I235 | D220-G222 PolarHBondContact O-N 3.07Å; G222-I235 WeakPolarHBondContact O-CB 3.29Å; G222-I235 PolarHBondContact O-N 3.19Å |
| 223 | Y | 96.1 | Very high | 93.4 | Very high | 61 Ų | 61 | 66.3 Ų | 66.3 | 24% | 0.239 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 150.7 | 177.8 | -64.5 | -97.9 | 0 | 0 | 0 | 111.6 | Q206 D220 C232 N233 D234 P253 G254 | Q206-Y223 VanDerWaalsContact NE2-CD1 3.27Å; Q206-Y223 VanDerWaalsContact NE2-CG 3.32Å; D220-Y223 HydrophobicContact CB-CD2 4.4Å; D220-Y223 PolarHBondContact O-N 3.37Å; D220-Y223 VanDerWaalsContact O-N 3.17Å; Y223-C232 HydrophobicContact CD1-CB 4.46Å; Y223-N233 CarbonylContact C-O 3.57Å; Y223-N233 WeakPolarHBondContact CA-O 3.48Å; Y223-N233 WeakPolarHBondContact CB-O 3.16Å; Y223-D234 HydrophobicContact CD1-CB 4.19Å; Y223-D234 HydrophobicContact CE1-CB 3.96Å; Y223-P253 VanDerWaalsContact OH-C 3.28Å; Y223-P253 WeakPolarHBondContact OH-CB 3.41Å; Y223-G254 PolarHBondContact OH-N 3.17Å |
| 224 | E | 94.4 | Very high | 93.7 | Very high | 115 Ų | 115 | 67.6 Ų | 67.6 | 54% | 0.537 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 146.6 | 173.9 | 64.1 | 175.8 | -177.1 | 0 | 0 | 111.7 | G226 C232 N233 I235 | E224-G226 PolarHBondContact O-N 3.05Å; E224-C232 CarbonylContact O-C 3.59Å; E224-C232 WeakPolarHBondContact O-CA 3.31Å; E224-N233 HydrophobicContact CG-CB 4.4Å; E224-N233 PolarHBondContact N-O 3.17Å; E224-N233 PolarHBondContact O-N 3.3Å; E224-I235 HydrophobicContact CB-CD1 4.22Å; E224-I235 HydrophobicContact CB-CG1 3.94Å; E224-I235 HydrophobicContact CG-CG1 4.05Å |
| 225 | L | 95.4 | Very high | 93.9 | Very high | 81 Ų | 81 | 67 Ų | 67 | 42% | 0.424 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 124.1 | 179.2 | -166.5 | 68.1 | 0 | 0 | 0 | 109.5 | C217 | C217-L225 HydrophobicContact CB-CD1 4.08Å |
| 226 | G | 92.7 | Very high | 93.9 | Very high | 9 Ų | 9 | 67.8 Ų | 67.8 | 9% | 0.093 | 36% | 0.358 | C | S | . | . | trans | -64.2 | 166.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E224 D228 G229 T231 | E224-G226 PolarHBondContact O-N 3.05Å; G226-D228 PolarHBondContact O-N 3.15Å; G226-D228 VanDerWaalsContact O-N 3.16Å; G226-G229 PolarHBondContact O-N 3.26Å; G226-T231 WeakPolarHBondContact CA-O 3.44Å; G226-T231 PolarHBondContact N-O 2.9Å | ||
| 227 | P | 92.5 | Very high | 94 | Very high | 144 Ų | 144 | 65.4 Ų | 65.4 | 94% | 0.935 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -17.2 | -179 | 28.5 | -35.8 | 0 | 0 | 0 | 113.3 | G229 | P227-G229 VanDerWaalsContact C-N 3.27Š|
| 228 | D | 89.9 | Confident | 93.9 | Very high | 73 Ų | 73 | 66.3 Ų | 66.3 | 39% | 0.39 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -16.7 | 173.3 | 65.3 | -15.7 | 0 | 0 | 0 | 112.8 | G226 F230 T231 | G226-D228 PolarHBondContact O-N 3.15Å; G226-D228 VanDerWaalsContact O-N 3.16Å; D228-F230 VanDerWaalsContact C-N 3.26Å; D228-F230 HydrophobicContact CB-CD2 4.37Å; D228-F230 WeakPolarHBondContact O-CD2 3.34Å; D228-F230 WeakPolarHBondContact O-CE2 3.03Å; D228-F230 PolarHBondContact O-N 3.15Å; D228-F230 PolarHBondContact OD1-N 2.71Å; D228-T231 PolarHBondContact OD1-N 3.32Å; D228-T231 VanDerWaalsContact OD2-CB 3.26Å; D228-T231 WeakPolarHBondContact OD2-CB 3.45Å; D228-T231 PolarHBondContact OD2-N 3.38Å; D228-T231 PolarHBondContact OD2-OG1 3.29Å |
| 229 | G | 89.9 | Confident | 93.7 | Very high | 28 Ų | 28 | 70.1 Ų | 70.1 | 29% | 0.289 | 37% | 0.366 | S | S | . | . | S | Bend | trans | 77.7 | 6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | C217 G226 P227 | C217-G229 WeakPolarHBondContact CB-O 3.01Å; G226-G229 PolarHBondContact O-N 3.26Å; P227-G229 VanDerWaalsContact C-N 3.27Å |
| 230 | F | 92.2 | Very high | 93.2 | Very high | 79 Ų | 79 | 73.2 Ų | 73.2 | 35% | 0.346 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -127.9 | -33.6 | -173.8 | -55.4 | -63.8 | 0 | 0 | 0 | 113.4 | P203 S205 F215 C217 D228 | P203-F230 HydrophobicContact CB-CD1 4.34Å; P203-F230 HydrophobicContact CB-CG 4.38Å; P203-F230 HydrophobicContact CG-CD1 3.63Å; P203-F230 HydrophobicContact CG-CE1 3.82Å; P203-F230 HydrophobicContact CG-CG 4.09Å; P203-F230 HydrophobicContact CG-CZ 4.38Å; S205-F230 PolarHBondContact N-O 2.9Å; S205-F230 PolarHBondContact OG-O 3.46Å; F215-F230 HydrophobicContact CE1-CE1 4.49Å; F215-F230 AromaticContact CE2-CD1 3.9Å; F215-F230 HydrophobicContact CE2-CD1 3.9Å; F215-F230 AromaticContact CE2-CE1 3.53Å; F215-F230 HydrophobicContact CE2-CE1 3.53Å; F215-F230 HydrophobicContact CZ-CD1 4.13Å; F215-F230 AromaticContact CZ-CE1 3.39Å; F215-F230 HydrophobicContact CZ-CE1 3.39Å; F215-F230 HydrophobicContact CZ-CZ 4.22Å; C217-F230 VanDerWaalsContact SG-CD1 3.6Å; D228-F230 VanDerWaalsContact C-N 3.26Å; D228-F230 HydrophobicContact CB-CD2 4.37Å; D228-F230 WeakPolarHBondContact O-CD2 3.34Å; D228-F230 WeakPolarHBondContact O-CE2 3.03Å; D228-F230 PolarHBondContact O-N 3.15Å; D228-F230 PolarHBondContact OD1-N 2.71Å |
| 231 | T | 94.4 | Very high | 92.4 | Very high | 58 Ų | 58 | 71.6 Ų | 71.6 | 36% | 0.356 | 38% | 0.382 | S | S | . | . | trans | -90.4 | 131.7 | -177 | -57.7 | 0 | 0 | 0 | 0 | 110.5 | S205 G226 D228 | S205-T231 WeakPolarHBondContact OG-CA 3.22Å; G226-T231 WeakPolarHBondContact CA-O 3.44Å; G226-T231 PolarHBondContact N-O 2.9Å; D228-T231 PolarHBondContact OD1-N 3.32Å; D228-T231 VanDerWaalsContact OD2-CB 3.26Å; D228-T231 WeakPolarHBondContact OD2-CB 3.45Å; D228-T231 PolarHBondContact OD2-N 3.38Å; D228-T231 PolarHBondContact OD2-OG1 3.29Å | ||
| 232 | C | 96 | Very high | 91.3 | Very high | 14 Ų | 14 | 67.7 Ų | 67.7 | 10% | 0.095 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 109 | 174.8 | -70.8 | 0 | 0 | 0 | 0 | 108.6 | S205 Q206 C219 Y223 E224 | S205-C232 WeakPolarHBondContact OG-CB 3.3Å; S205-C232 PolarHBondContact OG-N 2.73Å; Q206-C232 HydrophobicContact CG-CB 3.88Å; C219-C232 WeakPolarHBondContact CA-SG 3.42Å; C219-C232 HydrophobicContact CB-CB 3.7Å; C219-C232 WeakPolarHBondContact CB-SG 3.39Å; C219-C232 WeakPolarHBondContact SG-CA 3.4Å; C219-C232 WeakPolarHBondContact SG-CB 3.41Å; C219-C232 CovalentContact SG-SG 2.04Å; C219-C232 PolarHBondContact SG-SG 3.15Å; Y223-C232 HydrophobicContact CD1-CB 4.46Å; E224-C232 CarbonylContact O-C 3.59Å; E224-C232 WeakPolarHBondContact O-CA 3.31Å |
| 233 | N | 94.6 | Very high | 90.6 | Very high | 69 Ų | 69 | 77 Ų | 77 | 37% | 0.369 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 138.7 | 179.1 | -61.7 | -49.2 | 0 | 0 | 0 | 109.4 | Y223 E224 I235 | Y223-N233 CarbonylContact C-O 3.57Å; Y223-N233 WeakPolarHBondContact CA-O 3.48Å; Y223-N233 WeakPolarHBondContact CB-O 3.16Å; E224-N233 HydrophobicContact CG-CB 4.4Å; E224-N233 PolarHBondContact N-O 3.17Å; E224-N233 PolarHBondContact O-N 3.3Å; N233-I235 PolarHBondContact O-N 2.79Å |
| 234 | D | 96.4 | Very high | 90.1 | Very high | 48 Ų | 48 | 76.3 Ų | 76.3 | 26% | 0.257 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 132.1 | 174.1 | -177.6 | 60.7 | 0 | 0 | 0 | 110.5 | Y223 D236 N251 P253 G254 | Y223-D234 HydrophobicContact CD1-CB 4.19Å; Y223-D234 HydrophobicContact CE1-CB 3.96Å; D234-D236 PolarHBondContact O-N 3.46Å; D234-N251 PolarHBondContact OD2-ND2 3.18Å; D234-P253 WeakPolarHBondContact OD1-CA 3.41Å; D234-G254 PolarHBondContact OD1-N 3.23Å |
| 235 | I | 94.3 | Very high | 89.9 | Confident | 59 Ų | 59 | 71.3 Ų | 71.3 | 30% | 0.303 | 39% | 0.385 | S | S | . | . | trans | -80.3 | 110.3 | 176.6 | -63.4 | 171 | 0 | 0 | 0 | 107.2 | G222 E224 N233 E237 | G222-I235 WeakPolarHBondContact O-CB 3.29Å; G222-I235 PolarHBondContact O-N 3.19Å; E224-I235 HydrophobicContact CB-CD1 4.22Å; E224-I235 HydrophobicContact CB-CG1 3.94Å; E224-I235 HydrophobicContact CG-CG1 4.05Å; N233-I235 PolarHBondContact O-N 2.79Å; I235-E237 HydrophobicContact CG2-CG 4.29Å; I235-E237 PolarHBondContact O-N 2.6Å; I235-E237 VanDerWaalsContact O-OE2 3.07Å | ||
| 236 | D | 93.9 | Very high | 89.7 | Confident | 54 Ų | 54 | 71.2 Ų | 71.2 | 29% | 0.289 | 38% | 0.382 | S | S | . | . | trans | -73.6 | 89.9 | 174.3 | -170.7 | -25.3 | 0 | 0 | 0 | 110.4 | D234 C238 R239 S240 | D234-D236 PolarHBondContact O-N 3.46Å; D236-C238 PolarHBondContact O-N 2.98Å; D236-C238 WeakPolarHBondContact OD1-CB 3.21Å; D236-C238 PolarHBondContact OD1-N 3.41Å; D236-C238 VanDerWaalsContact OD1-N 3.15Å; D236-R239 HydrophobicContact CB-CB 4.22Å; D236-R239 HydrophobicContact CB-CG 4.21Å; D236-R239 VanDerWaalsContact CG-CG 3.45Å; D236-R239 PolarHBondContact O-N 2.78Å; D236-R239 VanDerWaalsContact O-N 3.15Å; D236-R239 PolarHBondContact OD1-N 2.85Å; D236-R239 WeakPolarHBondContact OD2-CD 3.37Å; D236-R239 WeakPolarHBondContact OD2-CG 3.47Å; D236-S240 PolarHBondContact O-N 2.74Å | ||
| 237 | E | 92.8 | Very high | 89.7 | Confident | 30 Ų | 30 | 74.6 Ų | 74.6 | 14% | 0.14 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.2 | -31.2 | -178.7 | -57 | 99.4 | 152 | 0 | 0 | 110.9 | I235 R239 S240 S241 H244 N251 F256 | I235-E237 HydrophobicContact CG2-CG 4.29Å; I235-E237 PolarHBondContact O-N 2.6Å; I235-E237 VanDerWaalsContact O-OE2 3.07Å; E237-R239 PolarHBondContact O-N 2.04Å; E237-S240 WeakPolarHBondContact O-CB 3.29Å; E237-S240 PolarHBondContact O-N 2.82Å; E237-S240 VanDerWaalsContact O-N 3.07Å; E237-S241 PolarHBondContact O-N 3.39Å; E237-H244 PolarHBondContact O-CD2 2.93Å; E237-N251 PolarHBondContact OE2-OD1 3.41Å; E237-F256 HydrophobicContact CB-CB 4.26Å; E237-F256 HydrophobicContact CB-CD1 3.62Å; E237-F256 HydrophobicContact CB-CE1 4.29Å; E237-F256 HydrophobicContact CB-CG 4.05Å; E237-F256 HydrophobicContact CG-CD1 3.74Å; E237-F256 HydrophobicContact CG-CE1 4.37Å; E237-F256 WeakPolarHBondContact OE2-CB 3.07Å; E237-F256 PolarHBondContact OE2-N 2.92Å |
| 238 | C | 92.4 | Very high | 89.6 | Confident | 29 Ų | 29 | 74.2 Ų | 74.2 | 20% | 0.196 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.7 | -25.8 | 178.3 | -57.2 | 0 | 0 | 0 | 0 | 113 | D236 C249 V250 N251 | D236-C238 PolarHBondContact O-N 2.98Å; D236-C238 WeakPolarHBondContact OD1-CB 3.21Å; D236-C238 PolarHBondContact OD1-N 3.41Å; D236-C238 VanDerWaalsContact OD1-N 3.15Å; C238-C249 WeakPolarHBondContact CA-SG 3.34Å; C238-C249 HydrophobicContact CB-CB 3.74Å; C238-C249 WeakPolarHBondContact CB-SG 3.42Å; C238-C249 WeakPolarHBondContact SG-CB 3.41Å; C238-C249 CovalentContact SG-SG 2.04Å; C238-C249 PolarHBondContact SG-SG 2.98Å; C238-V250 PolarHBondContact SG-N 2.02Å; C238-V250 VanDerWaalsContact SG-N 3.42Å; C238-N251 PolarHBondContact SG-N 3.42Å |
| 239 | R | 91.3 | Very high | 89.9 | Confident | 217 Ų | 217 | 72.4 Ų | 72.4 | 82% | 0.819 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -82.9 | -26.6 | 172.6 | -71.9 | 178.9 | 76.8 | 176.6 | 3.6 | 113.5 | D236 E237 | D236-R239 HydrophobicContact CB-CB 4.22Å; D236-R239 HydrophobicContact CB-CG 4.21Å; D236-R239 VanDerWaalsContact CG-CG 3.45Å; D236-R239 PolarHBondContact O-N 2.78Å; D236-R239 VanDerWaalsContact O-N 3.15Å; D236-R239 PolarHBondContact OD1-N 2.85Å; D236-R239 WeakPolarHBondContact OD2-CD 3.37Å; D236-R239 WeakPolarHBondContact OD2-CG 3.47Å; E237-R239 PolarHBondContact O-N 2.04Å |
| 240 | S | 84.6 | Confident | 90.1 | Very high | 98 Ų | 98 | 73.3 Ų | 73.3 | 69% | 0.685 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -70.4 | -41.8 | -179.2 | -174.1 | 0 | 0 | 0 | 0 | 112.1 | D236 E237 | D236-S240 PolarHBondContact O-N 2.74Å; E237-S240 WeakPolarHBondContact O-CB 3.29Å; E237-S240 PolarHBondContact O-N 2.82Å; E237-S240 VanDerWaalsContact O-N 3.07Å |
| 241 | S | 78.3 | Confident | 90.1 | Very high | 35 Ų | 35 | 72 Ų | 72 | 25% | 0.245 | 36% | 0.363 | C | S | . | . | trans | -156.3 | 128.3 | 177.8 | 179.1 | 0 | 0 | 0 | 0 | 112.9 | E237 Y243 H244 | E237-S241 PolarHBondContact O-N 3.39Å; S241-Y243 PolarHBondContact O-N 3.41Å; S241-Y243 PolarHBondContact OG-N 3.2Å; S241-H244 PolarHBondContact O-CD2 3.3Å; S241-H244 PolarHBondContact O-N 3.4Å | ||
| 242 | S | 72.1 | Confident | 90.1 | Very high | 106 Ų | 106 | 72.1 Ų | 72.1 | 74% | 0.741 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -67.4 | -12.7 | 173.1 | -48.7 | 0 | 0 | 0 | 0 | 113.5 | H244 | S242-H244 VanDerWaalsContact C-N 3.31Å; S242-H244 PolarHBondContact O-N 3.17Å |
| 243 | Y | 78.1 | Confident | 90.1 | Very high | 210 Ų | 210 | 76.4 Ų | 76.4 | 82% | 0.824 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -87.8 | 4.6 | -177.4 | -55.8 | -71.4 | 0 | 0 | 0 | 113.7 | S241 C245 | S241-Y243 PolarHBondContact O-N 3.41Å; S241-Y243 PolarHBondContact OG-N 3.2Å; Y243-C245 VanDerWaalsContact C-N 3.3Å; Y243-C245 PolarHBondContact O-N 3.05Å |
| 244 | H | 84.9 | Confident | 90 | Very high | 46 Ų | 46 | 74 Ų | 74 | 21% | 0.213 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -71.9 | -23.3 | 178.2 | -72.9 | -43.3 | 0 | 0 | 0 | 113.7 | E237 S241 S242 F256 R270 | E237-H244 PolarHBondContact O-CD2 2.93Å; S241-H244 PolarHBondContact O-CD2 3.3Å; S241-H244 PolarHBondContact O-N 3.4Å; S242-H244 VanDerWaalsContact C-N 3.31Å; S242-H244 PolarHBondContact O-N 3.17Å; H244-F256 HydrophobicContact CB-CD2 4.44Å; H244-F256 HydrophobicContact CB-CE2 3.87Å; H244-F256 HydrophobicContact CB-CZ 4.18Å; H244-R270 PolarHBondContact ND1-NH2 2.86Å; H244-R270 WeakPolarHBondContact O-CG 3.49Å; H244-R270 PolarHBondContact O-NE 3.42Å |
| 245 | C | 91.3 | Very high | 89.8 | Confident | 11 Ų | 11 | 77.3 Ų | 77.3 | 7% | 0.074 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -131.3 | 147.3 | 176.5 | -62.1 | 0 | 0 | 0 | 0 | 109.3 | Y243 F247 C249 C258 | Y243-C245 VanDerWaalsContact C-N 3.3Å; Y243-C245 PolarHBondContact O-N 3.05Å; C245-F247 VanDerWaalsContact C-N 3.29Å; C245-F247 PolarHBondContact O-N 3.16Å; C245-C249 HydrophobicContact CB-CB 4.2Å; C245-C249 VanDerWaalsContact SG-CA 3.55Å; C245-C258 WeakPolarHBondContact CA-SG 3.05Å; C245-C258 HydrophobicContact CB-CB 3.68Å; C245-C258 WeakPolarHBondContact CB-SG 3.29Å; C245-C258 WeakPolarHBondContact SG-CA 3.44Å; C245-C258 WeakPolarHBondContact SG-CB 3.42Å; C245-C258 CovalentContact SG-SG 2.03Å; C245-C258 PolarHBondContact SG-SG 3.19Å |
| 246 | Q | 91.1 | Very high | 89.8 | Confident | 78 Ų | 78 | 77.1 Ų | 77.1 | 36% | 0.364 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -69.4 | -28.4 | 178 | -170.8 | 168.9 | 35.3 | 0 | 0 | 112.9 | R270 M271 C272 F434 | Q246-R270 VanDerWaalsContact CB-O 3.29Å; Q246-R270 WeakPolarHBondContact CB-O 3.26Å; Q246-R270 PolarHBondContact N-O 3.1Å; Q246-M271 VanDerWaalsContact OE1-CA 3.23Å; Q246-C272 PolarHBondContact OE1-O 2.72Å; Q246-F434 VanDerWaalsContact CD-CB 3.46Å; Q246-F434 HydrophobicContact CG-CB 3.71Å; Q246-F434 HydrophobicContact CG-CD1 3.61Å; Q246-F434 HydrophobicContact CG-CD2 3.97Å; Q246-F434 HydrophobicContact CG-CE1 4.17Å; Q246-F434 HydrophobicContact CG-CG 3.49Å; Q246-F434 VanDerWaalsContact CG-CG 3.49Å; Q246-F434 WeakPolarHBondContact O-CE1 3.49Å |
| 247 | F | 91.9 | Very high | 89.8 | Confident | 81 Ų | 81 | 76.3 Ų | 76.3 | 36% | 0.355 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -120.8 | -77.1 | 177.5 | -177.6 | -119.4 | 0 | 0 | 0 | 113.3 | C245 V259 P261 Y432 F434 | C245-F247 VanDerWaalsContact C-N 3.29Å; C245-F247 PolarHBondContact O-N 3.16Å; F247-V259 WeakPolarHBondContact CD1-O 3.35Å; F247-P261 HydrophobicContact CD1-CB 4.05Å; F247-P261 VanDerWaalsContact CD1-CD 3.48Å; F247-P261 HydrophobicContact CD1-CG 4.13Å; F247-P261 HydrophobicContact CD2-CG 4.41Å; F247-P261 HydrophobicContact CE1-CB 3.76Å; F247-P261 HydrophobicContact CE1-CG 4.32Å; F247-P261 HydrophobicContact CE2-CB 4.43Å; F247-P261 HydrophobicContact CG-CB 4.5Å; F247-P261 HydrophobicContact CG-CG 4.18Å; F247-P261 HydrophobicContact CZ-CB 3.97Å; F247-Y432 HydrophobicContact CD2-CD1 4.07Å; F247-Y432 AromaticContact CD2-CE1 3.98Å; F247-Y432 HydrophobicContact CD2-CE1 3.98Å; F247-Y432 AromaticContact CE2-CD1 3.81Å; F247-Y432 HydrophobicContact CE2-CD1 3.81Å; F247-Y432 AromaticContact CE2-CE1 3.29Å; F247-Y432 HydrophobicContact CE2-CE1 3.29Å; F247-Y432 AromaticContact CE2-CZ 3.93Å; F247-Y432 AromaticContact CZ-CE1 3.92Å; F247-Y432 HydrophobicContact CZ-CE1 3.92Å; F247-F434 HydrophobicContact CB-CE1 4.01Å; F247-F434 HydrophobicContact CB-CZ 3.72Å; F247-F434 HydrophobicContact CD2-CE1 4.09Å; F247-F434 HydrophobicContact CD2-CZ 4.01Å; F247-F434 HydrophobicContact CG-CE1 4.49Å; F247-F434 HydrophobicContact CG-CZ 4.14Å |
| 248 | R | 92.2 | Very high | 89.9 | Confident | 136 Ų | 136 | 75.5 Ų | 75.5 | 51% | 0.513 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 127.2 | -174.9 | -170.2 | 170 | 69.5 | 114.3 | -1.3 | 111.5 | C258 V259 | R248-C258 WeakPolarHBondContact O-CA 3.1Å; R248-V259 PolarHBondContact N-O 3.38Å; R248-V259 PolarHBondContact O-N 2.85Å |
| 249 | C | 94.4 | Very high | 90 | Very high | 34 Ų | 34 | 76.4 Ų | 76.4 | 23% | 0.23 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 139.2 | 173.1 | -172.8 | 0 | 0 | 0 | 0 | 110.2 | C238 C245 | C238-C249 WeakPolarHBondContact CA-SG 3.34Å; C238-C249 HydrophobicContact CB-CB 3.74Å; C238-C249 WeakPolarHBondContact CB-SG 3.42Å; C238-C249 WeakPolarHBondContact SG-CB 3.41Å; C238-C249 CovalentContact SG-SG 2.04Å; C238-C249 PolarHBondContact SG-SG 2.98Å; C245-C249 HydrophobicContact CB-CB 4.2Å; C245-C249 VanDerWaalsContact SG-CA 3.55Å |
| 250 | V | 94 | Very high | 90.2 | Very high | 47 Ų | 47 | 67.1 Ų | 67.1 | 29% | 0.285 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 119.2 | 172.9 | -179.6 | 0 | 0 | 0 | 0 | 108 | C238 F256 S257 V259 | C238-V250 PolarHBondContact SG-N 2.02Å; C238-V250 VanDerWaalsContact SG-N 3.42Å; V250-F256 WeakPolarHBondContact O-CA 3.46Å; V250-S257 PolarHBondContact N-O 2.84Å; V250-S257 PolarHBondContact O-N 2.99Å; V250-V259 HydrophobicContact CG2-CG2 3.72Å |
| 251 | N | 94.1 | Very high | 90.6 | Very high | 51 Ų | 51 | 62.9 Ų | 62.9 | 27% | 0.273 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 134.2 | 177.5 | -169.9 | 46.5 | 0 | 0 | 0 | 110 | D234 E237 C238 | D234-N251 PolarHBondContact OD2-ND2 3.18Å; E237-N251 PolarHBondContact OE2-OD1 3.41Å; C238-N251 PolarHBondContact SG-N 3.42Å |
| 252 | E | 94.4 | Very high | 91.3 | Very high | 62 Ų | 62 | 70.3 Ų | 70.3 | 29% | 0.29 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 160.5 | 177.8 | -52.3 | -178.1 | 116.6 | 0 | 0 | 109.4 | G254 K255 | E252-G254 PolarHBondContact O-N 3.14Å; E252-K255 CarbonylContact C-O 3.47Å; E252-K255 VanDerWaalsContact CA-O 3.22Å; E252-K255 WeakPolarHBondContact CA-O 3.28Å; E252-K255 HydrophobicContact CB-CG 4.18Å; E252-K255 VanDerWaalsContact CB-O 3.28Å; E252-K255 WeakPolarHBondContact CB-O 3.22Å; E252-K255 PolarHBondContact N-O 3.22Å; E252-K255 CarbonylContact O-C 3.48Å; E252-K255 PolarHBondContact O-N 3.43Å; E252-K255 IonicContact OE1-NZ 3.4Å; E252-K255 WeakPolarHBondContact OE2-CE 3.43Å; E252-K255 IonicContact OE2-NZ 3.14Å; E252-K255 PolarHBondContact OE2-NZ 2.04Å |
| 253 | P | 94.4 | Very high | 92.3 | Very high | 103 Ų | 103 | 65.9 Ų | 65.9 | 67% | 0.669 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 115.1 | 179 | -24.2 | 35 | 0 | 0 | 0 | 112.7 | Y223 D234 K255 | Y223-P253 VanDerWaalsContact OH-C 3.28Å; Y223-P253 WeakPolarHBondContact OH-CB 3.41Å; D234-P253 WeakPolarHBondContact OD1-CA 3.41Å; P253-K255 VanDerWaalsContact C-N 3.35Å |
| 254 | G | 92.9 | Very high | 93.1 | Very high | 20 Ų | 20 | 56.7 Ų | 56.7 | 21% | 0.206 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.1 | 3.9 | 178 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y223 D234 E252 | Y223-G254 PolarHBondContact OH-N 3.17Å; D234-G254 PolarHBondContact OD1-N 3.23Å; E252-G254 PolarHBondContact O-N 3.14Å |
| 255 | K | 93.3 | Very high | 93.5 | Very high | 117 Ų | 117 | 59.1 Ų | 59.1 | 51% | 0.509 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.4 | 168.5 | -178.3 | 60.6 | 176.7 | 173.6 | 112.9 | 0 | 111.2 | E252 P253 | E252-K255 CarbonylContact C-O 3.47Å; E252-K255 VanDerWaalsContact CA-O 3.22Å; E252-K255 WeakPolarHBondContact CA-O 3.28Å; E252-K255 HydrophobicContact CB-CG 4.18Å; E252-K255 VanDerWaalsContact CB-O 3.28Å; E252-K255 WeakPolarHBondContact CB-O 3.22Å; E252-K255 PolarHBondContact N-O 3.22Å; E252-K255 CarbonylContact O-C 3.48Å; E252-K255 PolarHBondContact O-N 3.43Å; E252-K255 IonicContact OE1-NZ 3.4Å; E252-K255 WeakPolarHBondContact OE2-CE 3.43Å; E252-K255 IonicContact OE2-NZ 3.14Å; E252-K255 PolarHBondContact OE2-NZ 2.04Å; P253-K255 VanDerWaalsContact C-N 3.35Å |
| 256 | F | 93.5 | Very high | 93.7 | Very high | 55 Ų | 55 | 62.1 Ų | 62.1 | 24% | 0.241 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 160.5 | 164.5 | 68.9 | -75.3 | 0 | 0 | 0 | 111.8 | E237 H244 V250 | E237-F256 HydrophobicContact CB-CB 4.26Å; E237-F256 HydrophobicContact CB-CD1 3.62Å; E237-F256 HydrophobicContact CB-CE1 4.29Å; E237-F256 HydrophobicContact CB-CG 4.05Å; E237-F256 HydrophobicContact CG-CD1 3.74Å; E237-F256 HydrophobicContact CG-CE1 4.37Å; E237-F256 WeakPolarHBondContact OE2-CB 3.07Å; E237-F256 PolarHBondContact OE2-N 2.92Å; H244-F256 HydrophobicContact CB-CD2 4.44Å; H244-F256 HydrophobicContact CB-CE2 3.87Å; H244-F256 HydrophobicContact CB-CZ 4.18Å; V250-F256 WeakPolarHBondContact O-CA 3.46Å |
| 257 | S | 93.2 | Very high | 93.7 | Very high | 36 Ų | 36 | 61 Ų | 61 | 25% | 0.252 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 150.9 | 169.4 | 63.8 | 0 | 0 | 0 | 0 | 111.4 | V250 | V250-S257 PolarHBondContact N-O 2.84Å; V250-S257 PolarHBondContact O-N 2.99Å |
| 258 | C | 95.1 | Very high | 93.6 | Very high | 13 Ų | 13 | 60.2 Ų | 60.2 | 9% | 0.088 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 134.4 | 175.2 | -61.7 | 0 | 0 | 0 | 0 | 109.8 | C245 R248 L266 T269 | C245-C258 WeakPolarHBondContact CA-SG 3.05Å; C245-C258 HydrophobicContact CB-CB 3.68Å; C245-C258 WeakPolarHBondContact CB-SG 3.29Å; C245-C258 WeakPolarHBondContact SG-CA 3.44Å; C245-C258 WeakPolarHBondContact SG-CB 3.42Å; C245-C258 CovalentContact SG-SG 2.03Å; C245-C258 PolarHBondContact SG-SG 3.19Å; R248-C258 WeakPolarHBondContact O-CA 3.1Å; C258-L266 HydrophobicContact CB-CD1 3.81Å; C258-T269 PolarHBondContact SG-O 3.12Å; C258-T269 VanDerWaalsContact SG-O 3.42Å |
| 259 | V | 94.6 | Very high | 93.4 | Very high | 49 Ų | 49 | 58.9 Ų | 58.9 | 30% | 0.297 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 134 | 177 | -178.5 | 0 | 0 | 0 | 0 | 108.6 | F247 R248 V250 | F247-V259 WeakPolarHBondContact CD1-O 3.35Å; R248-V259 PolarHBondContact N-O 3.38Å; R248-V259 PolarHBondContact O-N 2.85Å; V250-V259 HydrophobicContact CG2-CG2 3.72Å |
| 260 | C | 95.2 | Very high | 93.3 | Very high | 22 Ų | 22 | 62.2 Ų | 62.2 | 15% | 0.149 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -92.6 | 154.2 | 175 | -67 | 0 | 0 | 0 | 0 | 111.3 | C272 | C260-C272 WeakPolarHBondContact CA-SG 3.39Å; C260-C272 HydrophobicContact CB-CB 3.82Å; C260-C272 WeakPolarHBondContact CB-SG 3.03Å; C260-C272 WeakPolarHBondContact SG-CA 3.18Å; C260-C272 WeakPolarHBondContact SG-CB 3.48Å; C260-C272 CovalentContact SG-SG 2.05Å; C260-C272 PolarHBondContact SG-SG 3.05Å |
| 261 | P | 94.7 | Very high | 93.2 | Very high | 9 Ų | 9 | 65.6 Ų | 65.6 | 6% | 0.058 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 167.7 | 174.3 | 28.5 | -30.4 | 0 | 0 | 0 | 111.1 | F247 Y264 Y432 F434 | F247-P261 HydrophobicContact CD1-CB 4.05Å; F247-P261 VanDerWaalsContact CD1-CD 3.48Å; F247-P261 HydrophobicContact CD1-CG 4.13Å; F247-P261 HydrophobicContact CD2-CG 4.41Å; F247-P261 HydrophobicContact CE1-CB 3.76Å; F247-P261 HydrophobicContact CE1-CG 4.32Å; F247-P261 HydrophobicContact CE2-CB 4.43Å; F247-P261 HydrophobicContact CG-CB 4.5Å; F247-P261 HydrophobicContact CG-CG 4.18Å; F247-P261 HydrophobicContact CZ-CB 3.97Å; P261-Y264 HydrophobicContact CG-CD2 3.7Å; P261-Y264 HydrophobicContact CG-CE2 4.26Å; P261-Y264 HydrophobicContact CG-CG 3.98Å; P261-Y264 WeakPolarHBondContact O-CB 3.49Å; P261-Y264 PolarHBondContact O-N 3.32Å; P261-Y264 VanDerWaalsContact O-N 3.12Å; P261-Y432 HydrophobicContact CB-CD2 4.23Å; P261-Y432 HydrophobicContact CB-CE1 4.34Å; P261-Y432 HydrophobicContact CB-CE2 3.31Å; P261-Y432 VanDerWaalsContact CB-OH 3.23Å; P261-Y432 WeakPolarHBondContact CB-OH 3.4Å; P261-Y432 HydrophobicContact CG-CD2 3.64Å; P261-Y432 HydrophobicContact CG-CE1 4.45Å; P261-Y432 HydrophobicContact CG-CE2 3.22Å; P261-Y432 HydrophobicContact CG-CG 4.41Å; P261-F434 HydrophobicContact CG-CE2 4.41Å; P261-F434 HydrophobicContact CG-CZ 4.11Å |
| 262 | E | 92.6 | Very high | 93.2 | Very high | 190 Ų | 190 | 63.5 Ų | 63.5 | 89% | 0.888 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 140.1 | 174.5 | -168.7 | 177.2 | -179.5 | 0 | 0 | 111.3 | Y264 | E262-Y264 VanDerWaalsContact C-N 3.27Å; E262-Y264 WeakPolarHBondContact O-CD2 3Å |
| 263 | G | 91.9 | Very high | 93.2 | Very high | 14 Ų | 14 | 65.7 Ų | 65.7 | 14% | 0.144 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 2.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | I275 | G263-I275 WeakPolarHBondContact O-CB 3Å; G263-I275 PolarHBondContact O-N 2.85Å |
| 264 | Y | 94.6 | Very high | 93.1 | Very high | 16 Ų | 16 | 61.8 Ų | 61.8 | 6% | 0.063 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 145 | 177.6 | -69 | -109.5 | 0 | 0 | 0 | 111.4 | P261 E262 C272 Q273 D274 H295 Y432 F434 | P261-Y264 HydrophobicContact CG-CD2 3.7Å; P261-Y264 HydrophobicContact CG-CE2 4.26Å; P261-Y264 HydrophobicContact CG-CG 3.98Å; P261-Y264 WeakPolarHBondContact O-CB 3.49Å; P261-Y264 PolarHBondContact O-N 3.32Å; P261-Y264 VanDerWaalsContact O-N 3.12Å; E262-Y264 VanDerWaalsContact C-N 3.27Å; E262-Y264 WeakPolarHBondContact O-CD2 3Å; Y264-C272 HydrophobicContact CD1-CB 4.22Å; Y264-Q273 CarbonylContact C-O 3.53Å; Y264-Q273 VanDerWaalsContact CA-O 3.27Å; Y264-Q273 WeakPolarHBondContact CA-O 3.48Å; Y264-Q273 VanDerWaalsContact CD1-C 3.49Å; Y264-D274 HydrophobicContact CD1-CB 4.4Å; Y264-D274 VanDerWaalsContact CD1-N 3.35Å; Y264-D274 HydrophobicContact CE1-CB 4.18Å; Y264-H295 WeakPolarHBondContact OH-CB 3.11Å; Y264-Y432 AromaticContact CE2-CD2 3.9Å; Y264-Y432 HydrophobicContact CE2-CD2 3.9Å; Y264-Y432 HydrophobicContact CE2-CE2 4.16Å; Y264-F434 HydrophobicContact CD1-CE2 4.07Å; Y264-F434 HydrophobicContact CE1-CD2 4.27Å; Y264-F434 HydrophobicContact CE1-CE2 4.01Å |
| 265 | Q | 93.8 | Very high | 93.2 | Very high | 98 Ų | 98 | 62.6 Ų | 62.6 | 46% | 0.458 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 147.3 | 174.9 | 60 | 179.1 | -5.2 | 0 | 0 | 111.5 | V267 C272 Q273 I275 | Q265-V267 HydrophobicContact CG-CG2 4.26Å; Q265-V267 PolarHBondContact O-N 3.44Å; Q265-C272 WeakPolarHBondContact O-CA 3.38Å; Q265-Q273 PolarHBondContact N-O 2.84Å; Q265-Q273 PolarHBondContact O-N 3.46Å; Q265-I275 HydrophobicContact CB-CD1 4.2Å; Q265-I275 HydrophobicContact CB-CG1 3.9Å; Q265-I275 HydrophobicContact CG-CG1 3.91Å |
| 266 | L | 95.1 | Very high | 93.2 | Very high | 73 Ų | 73 | 58.7 Ų | 58.7 | 38% | 0.382 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 119.4 | 175.8 | -169.8 | 75.4 | 0 | 0 | 0 | 109.5 | C258 M271 | C258-L266 HydrophobicContact CB-CD1 3.81Å; L266-M271 CarbonylContact C-O 3.39Å; L266-M271 WeakPolarHBondContact CA-O 3.22Å; L266-M271 WeakPolarHBondContact CD1-O 3.44Å |
| 267 | V | 92.9 | Very high | 93.3 | Very high | 54 Ų | 54 | 57 Ų | 57 | 33% | 0.327 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 124.2 | 175.9 | -179.1 | 0 | 0 | 0 | 0 | 109.2 | Q265 M271 Q273 | Q265-V267 HydrophobicContact CG-CG2 4.26Å; Q265-V267 PolarHBondContact O-N 3.44Å; V267-M271 PolarHBondContact N-O 3.46Å; V267-Q273 HydrophobicContact CB-CB 4.41Å; V267-Q273 HydrophobicContact CG2-CB 3.56Å |
| 268 | G | 89.1 | Confident | 93.3 | Very high | 66 Ų | 66 | 57 Ų | 57 | 68% | 0.68 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | -125.9 | -167 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 269 | T | 88.4 | Confident | 93.3 | Very high | 108 Ų | 108 | 64 Ų | 64 | 66% | 0.663 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.8 | -10.4 | -176.8 | 52.5 | 0 | 0 | 0 | 0 | 114.5 | C258 | C258-T269 PolarHBondContact SG-O 3.12Å; C258-T269 VanDerWaalsContact SG-O 3.42Å |
| 270 | R | 91.4 | Very high | 93.3 | Very high | 104 Ų | 104 | 65.5 Ų | 65.5 | 39% | 0.392 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141.4 | -16.8 | -167.6 | -54.6 | 178.3 | 111.9 | 152.6 | 12.9 | 115.6 | H244 Q246 | H244-R270 PolarHBondContact ND1-NH2 2.86Å; H244-R270 WeakPolarHBondContact O-CG 3.49Å; H244-R270 PolarHBondContact O-NE 3.42Å; Q246-R270 VanDerWaalsContact CB-O 3.29Å; Q246-R270 WeakPolarHBondContact CB-O 3.26Å; Q246-R270 PolarHBondContact N-O 3.1Å |
| 271 | M | 92.3 | Very high | 93.1 | Very high | 117 Ų | 117 | 66.7 Ų | 66.7 | 58% | 0.576 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 140.7 | -171.3 | -64 | -174.1 | -70.2 | 0 | 0 | 110.7 | Q246 L266 V267 | Q246-M271 VanDerWaalsContact OE1-CA 3.23Å; L266-M271 CarbonylContact C-O 3.39Å; L266-M271 WeakPolarHBondContact CA-O 3.22Å; L266-M271 WeakPolarHBondContact CD1-O 3.44Å; V267-M271 PolarHBondContact N-O 3.46Å |
| 272 | C | 94.6 | Very high | 93 | Very high | 8 Ų | 8 | 72.9 Ų | 72.9 | 5% | 0.054 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 124.2 | 175.9 | -63.8 | 0 | 0 | 0 | 0 | 109 | Q246 C260 Y264 Q265 F434 | Q246-C272 PolarHBondContact OE1-O 2.72Å; C260-C272 WeakPolarHBondContact CA-SG 3.39Å; C260-C272 HydrophobicContact CB-CB 3.82Å; C260-C272 WeakPolarHBondContact CB-SG 3.03Å; C260-C272 WeakPolarHBondContact SG-CA 3.18Å; C260-C272 WeakPolarHBondContact SG-CB 3.48Å; C260-C272 CovalentContact SG-SG 2.05Å; C260-C272 PolarHBondContact SG-SG 3.05Å; Y264-C272 HydrophobicContact CD1-CB 4.22Å; Q265-C272 WeakPolarHBondContact O-CA 3.38Å; C272-F434 HydrophobicContact CB-CD2 4.08Å; C272-F434 HydrophobicContact CB-CE2 3.54Å; C272-F434 HydrophobicContact CB-CZ 4.29Å |
| 273 | Q | 92.8 | Very high | 93 | Very high | 108 Ų | 108 | 67 Ų | 67 | 51% | 0.505 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 137.3 | 174.4 | -171.5 | 175.2 | 0.6 | 0 | 0 | 109.2 | Y264 Q265 V267 I275 | Y264-Q273 CarbonylContact C-O 3.53Å; Y264-Q273 VanDerWaalsContact CA-O 3.27Å; Y264-Q273 WeakPolarHBondContact CA-O 3.48Å; Y264-Q273 VanDerWaalsContact CD1-C 3.49Å; Q265-Q273 PolarHBondContact N-O 2.84Å; Q265-Q273 PolarHBondContact O-N 3.46Å; V267-Q273 HydrophobicContact CB-CB 4.41Å; V267-Q273 HydrophobicContact CG2-CB 3.56Å; Q273-I275 PolarHBondContact O-N 2.65Å |
| 274 | D | 93.3 | Very high | 93.1 | Very high | 21 Ų | 21 | 74.7 Ų | 74.7 | 11% | 0.112 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.5 | 133.1 | 170.4 | -175 | 63.1 | 0 | 0 | 0 | 111.3 | Y264 N293 H295 G296 | Y264-D274 HydrophobicContact CD1-CB 4.4Å; Y264-D274 VanDerWaalsContact CD1-N 3.35Å; Y264-D274 HydrophobicContact CE1-CB 4.18Å; D274-N293 PolarHBondContact OD2-ND2 3.13Å; D274-H295 WeakPolarHBondContact OD1-CA 3.43Å; D274-H295 IonicContact OD1-ND1 2.77Å; D274-H295 IonicContact OD2-ND1 3.64Å; D274-G296 PolarHBondContact OD1-N 2.83Å |
| 275 | I | 94.3 | Very high | 93 | Very high | 37 Ų | 37 | 74.8 Ų | 74.8 | 19% | 0.19 | 40% | 0.404 | C | S | . | . | trans | -82.5 | 117.8 | 172.5 | -61.6 | 170.1 | 0 | 0 | 0 | 106.7 | G263 Q265 Q273 E277 T280 N293 | G263-I275 WeakPolarHBondContact O-CB 3Å; G263-I275 PolarHBondContact O-N 2.85Å; Q265-I275 HydrophobicContact CB-CD1 4.2Å; Q265-I275 HydrophobicContact CB-CG1 3.9Å; Q265-I275 HydrophobicContact CG-CG1 3.91Å; Q273-I275 PolarHBondContact O-N 2.65Å; I275-E277 HydrophobicContact CG2-CG 4.22Å; I275-E277 PolarHBondContact O-N 2.8Å; I275-E277 VanDerWaalsContact O-N 3.11Å; I275-E277 VanDerWaalsContact O-OE2 3.04Å; I275-T280 HydrophobicContact CG2-CG2 4.38Å; I275-N293 PolarHBondContact O-OD1 2.96Å | ||
| 276 | N | 94.6 | Very high | 92.9 | Very high | 35 Ų | 35 | 72.6 Ų | 72.6 | 19% | 0.187 | 40% | 0.399 | C | S | . | . | trans | -82.2 | 90.1 | 175.2 | -173.6 | -19.1 | 0 | 0 | 0 | 110.1 | C278 E279 T280 N293 | N276-C278 PolarHBondContact O-N 3.32Å; N276-C278 WeakPolarHBondContact OD1-CB 3.46Å; N276-C278 PolarHBondContact OD1-N 2.87Å; N276-E279 HydrophobicContact CB-CB 4.12Å; N276-E279 HydrophobicContact CB-CG 4.39Å; N276-E279 VanDerWaalsContact ND2-CG 3.29Å; N276-E279 WeakPolarHBondContact ND2-CG 3.32Å; N276-E279 PolarHBondContact ND2-OE1 3.05Å; N276-E279 PolarHBondContact ND2-OE2 2.71Å; N276-E279 PolarHBondContact O-N 2.04Å; N276-E279 PolarHBondContact OD1-N 3.27Å; N276-E279 VanDerWaalsContact OD1-N 3.15Å; N276-T280 WeakPolarHBondContact O-CG2 3.42Å; N276-T280 PolarHBondContact O-N 3.32Å; N276-T280 PolarHBondContact O-OG1 2.93Å; N276-N293 WeakPolarHBondContact CA-OD1 3.07Å; N276-N293 WeakPolarHBondContact OD1-CB 2.99Å | ||
| 277 | E | 95.1 | Very high | 92.5 | Very high | 19 Ų | 19 | 77.5 Ų | 77.5 | 9% | 0.089 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -65.7 | -23.6 | -175.5 | -51.8 | 92.6 | 153 | 0 | 0 | 112.3 | I275 E279 T280 G281 E282 H283 N293 R297 Y298 | I275-E277 HydrophobicContact CG2-CG 4.22Å; I275-E277 PolarHBondContact O-N 2.8Å; I275-E277 VanDerWaalsContact O-N 3.11Å; I275-E277 VanDerWaalsContact O-OE2 3.04Å; E277-E279 VanDerWaalsContact C-N 3.34Å; E277-T280 WeakPolarHBondContact CA-OG1 3.49Å; E277-T280 PolarHBondContact O-OG1 2.93Å; E277-G281 PolarHBondContact O-N 2.83Å; E277-E282 PolarHBondContact O-N 3.34Å; E277-H283 HydrophobicContact CB-CB 4.44Å; E277-H283 PolarHBondContact O-CD2 2.86Å; E277-N293 PolarHBondContact OE2-OD1 3.33Å; E277-R297 VanDerWaalsContact OE1-CA 3.3Å; E277-R297 WeakPolarHBondContact OE1-CA 3.4Å; E277-R297 VanDerWaalsContact OE2-C 3.31Å; E277-Y298 HydrophobicContact CB-CD1 3.58Å; E277-Y298 HydrophobicContact CB-CE1 4.34Å; E277-Y298 HydrophobicContact CB-CG 4.11Å; E277-Y298 HydrophobicContact CG-CD1 3.71Å; E277-Y298 HydrophobicContact CG-CE1 4.41Å; E277-Y298 WeakPolarHBondContact OE2-CB 3.18Å; E277-Y298 PolarHBondContact OE2-N 2.02Å |
| 278 | C | 93.8 | Very high | 92.1 | Very high | 35 Ų | 35 | 79.8 Ų | 79.8 | 24% | 0.236 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -69.1 | -29.7 | 173.5 | -55.4 | 0 | 0 | 0 | 0 | 113.1 | N276 C291 V292 N293 | N276-C278 PolarHBondContact O-N 3.32Å; N276-C278 WeakPolarHBondContact OD1-CB 3.46Å; N276-C278 PolarHBondContact OD1-N 2.87Å; C278-C291 WeakPolarHBondContact CA-SG 3.36Å; C278-C291 HydrophobicContact CB-CB 3.77Å; C278-C291 WeakPolarHBondContact CB-SG 3.33Å; C278-C291 WeakPolarHBondContact SG-CB 3.44Å; C278-C291 CovalentContact SG-SG 2.04Å; C278-C291 PolarHBondContact SG-SG 3.01Å; C278-V292 PolarHBondContact SG-N 2.91Å; C278-V292 VanDerWaalsContact SG-N 3.4Å; C278-N293 HydrophobicContact CB-CB 4.49Å; C278-N293 PolarHBondContact SG-N 3.01Å |
| 279 | E | 95.1 | Very high | 92.1 | Very high | 162 Ų | 162 | 79.6 Ų | 79.6 | 76% | 0.757 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -88.8 | -36.1 | 176.1 | -77.3 | 175.9 | -167.9 | 0 | 0 | 112.3 | N276 E277 G281 | N276-E279 HydrophobicContact CB-CB 4.12Å; N276-E279 HydrophobicContact CB-CG 4.39Å; N276-E279 VanDerWaalsContact ND2-CG 3.29Å; N276-E279 WeakPolarHBondContact ND2-CG 3.32Å; N276-E279 PolarHBondContact ND2-OE1 3.05Å; N276-E279 PolarHBondContact ND2-OE2 2.71Å; N276-E279 PolarHBondContact O-N 2.04Å; N276-E279 PolarHBondContact OD1-N 3.27Å; N276-E279 VanDerWaalsContact OD1-N 3.15Å; E277-E279 VanDerWaalsContact C-N 3.34Å; E279-G281 VanDerWaalsContact C-N 3.26Å; E279-G281 PolarHBondContact O-N 3.32Å |
| 280 | T | 93.9 | Very high | 92 | Very high | 79 Ų | 79 | 77.6 Ų | 77.6 | 49% | 0.485 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -74.6 | -19.4 | 177.6 | 63.8 | 0 | 0 | 0 | 0 | 112.5 | I275 N276 E277 E282 | I275-T280 HydrophobicContact CG2-CG2 4.38Å; N276-T280 WeakPolarHBondContact O-CG2 3.42Å; N276-T280 PolarHBondContact O-N 3.32Å; N276-T280 PolarHBondContact O-OG1 2.93Å; E277-T280 WeakPolarHBondContact CA-OG1 3.49Å; E277-T280 PolarHBondContact O-OG1 2.93Å; T280-E282 WeakPolarHBondContact OG1-CB 3.21Å; T280-E282 WeakPolarHBondContact OG1-CG 3.4Å; T280-E282 PolarHBondContact OG1-N 2.82Å |
| 281 | G | 91.7 | Very high | 92 | Very high | 48 Ų | 48 | 74 Ų | 74 | 50% | 0.495 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | 8.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | E277 E279 H283 | E277-G281 PolarHBondContact O-N 2.83Å; E279-G281 VanDerWaalsContact C-N 3.26Å; E279-G281 PolarHBondContact O-N 3.32Å; G281-H283 PolarHBondContact O-N 3.06Å |
| 282 | E | 91.7 | Very high | 91.9 | Very high | 139 Ų | 139 | 69.4 Ų | 69.4 | 65% | 0.65 | 38% | 0.378 | S | S | * | . | trans | -82.7 | 37.1 | 177.5 | -62.5 | -176.4 | 154.4 | 0 | 0 | 112 | E277 T280 | E277-E282 PolarHBondContact O-N 3.34Å; T280-E282 WeakPolarHBondContact OG1-CB 3.21Å; T280-E282 WeakPolarHBondContact OG1-CG 3.4Å; T280-E282 PolarHBondContact OG1-N 2.82Å | ||
| 283 | H | 93.1 | Very high | 91.8 | Very high | 65 Ų | 65 | 71 Ų | 71 | 30% | 0.301 | 39% | 0.386 | S | S | . | . | trans | -112.8 | 150.2 | 178.5 | 66.1 | 67.6 | 0 | 0 | 0 | 111.8 | E277 G281 Y298 | E277-H283 HydrophobicContact CB-CB 4.44Å; E277-H283 PolarHBondContact O-CD2 2.86Å; G281-H283 PolarHBondContact O-N 3.06Å; H283-Y298 HydrophobicContact CB-CD1 4.29Å; H283-Y298 HydrophobicContact CB-CD2 3.76Å; H283-Y298 HydrophobicContact CB-CE1 4.28Å; H283-Y298 HydrophobicContact CB-CE2 3.78Å; H283-Y298 HydrophobicContact CB-CG 4.04Å | ||
| 284 | Q | 94.7 | Very high | 91.7 | Very high | 176 Ų | 176 | 65.9 Ų | 65.9 | 82% | 0.822 | 36% | 0.363 | S | S | * | . | trans | -101.3 | 25.9 | 179.3 | -59.6 | 177.7 | 11.9 | 0 | 0 | 113.6 | Y298 | Q284-Y298 WeakPolarHBondContact CB-OH 3.38Å; Q284-Y298 WeakPolarHBondContact CG-OH 3.4Å; Q284-Y298 PolarHBondContact N-OH 3.04Å | ||
| 285 | C | 92.6 | Very high | 91.6 | Very high | 19 Ų | 19 | 66.9 Ų | 66.9 | 13% | 0.128 | 37% | 0.366 | C | S | . | . | trans | -69.3 | 140.6 | 177.1 | -54.6 | 0 | 0 | 0 | 0 | 111.9 | Q289 C300 | C285-Q289 HydrophobicContact CB-CB 4.16Å; C285-C300 WeakPolarHBondContact CA-SG 3.31Å; C285-C300 HydrophobicContact CB-CB 3.75Å; C285-C300 WeakPolarHBondContact CB-SG 3.47Å; C285-C300 PolarHBondContact N-SG 3.29Å; C285-C300 VanDerWaalsContact N-SG 3.42Å; C285-C300 WeakPolarHBondContact SG-CA 3.37Å; C285-C300 WeakPolarHBondContact SG-CB 2.99Å; C285-C300 CovalentContact SG-SG 2.04Å; C285-C300 PolarHBondContact SG-SG 3.34Å | ||
| 286 | S | 91.6 | Very high | 91.3 | Very high | 51 Ų | 51 | 66.1 Ų | 66.1 | 36% | 0.357 | 37% | 0.368 | S | S | . | . | trans | -72.4 | 164.1 | 172.7 | 72.8 | 0 | 0 | 0 | 0 | 112 | T288 Q289 | S286-T288 PolarHBondContact O-N 2.8Å; S286-T288 PolarHBondContact OG-N 3Å; S286-T288 PolarHBondContact OG-OG1 3.27Å; S286-Q289 VanDerWaalsContact N-OE1 3.1Å; S286-Q289 WeakPolarHBondContact O-CB 3.48Å; S286-Q289 PolarHBondContact O-N 3.09Å; S286-Q289 WeakPolarHBondContact OG-CG 3.48Å; S286-Q289 PolarHBondContact OG-OE1 3.34Å | ||
| 287 | D | 85.4 | Confident | 91.1 | Very high | 176 Ų | 176 | 69.6 Ų | 69.6 | 94% | 0.941 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -20.6 | 175.1 | -60.4 | -31.1 | 0 | 0 | 0 | 113.7 | Q289 | D287-Q289 VanDerWaalsContact C-N 3.34Š|
| 288 | T | 84.9 | Confident | 91 | Very high | 102 Ų | 102 | 71.5 Ų | 71.5 | 63% | 0.626 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -1.2 | 176.7 | 57.4 | 0 | 0 | 0 | 0 | 113.9 | S286 A303 | S286-T288 PolarHBondContact O-N 2.8Å; S286-T288 PolarHBondContact OG-N 3Å; S286-T288 PolarHBondContact OG-OG1 3.27Å; T288-A303 WeakPolarHBondContact O-CB 3.01Å; T288-A303 PolarHBondContact O-N 2.98Å; T288-A303 VanDerWaalsContact O-N 3.1Å |
| 289 | Q | 88.3 | Confident | 90.8 | Very high | 62 Ų | 62 | 72.7 Ų | 72.7 | 29% | 0.29 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 147 | -175.6 | -71.8 | 172.1 | -36.3 | 0 | 0 | 111.2 | C285 S286 D287 C300 V301 D302 | C285-Q289 HydrophobicContact CB-CB 4.16Å; S286-Q289 VanDerWaalsContact N-OE1 3.1Å; S286-Q289 WeakPolarHBondContact O-CB 3.48Å; S286-Q289 PolarHBondContact O-N 3.09Å; S286-Q289 WeakPolarHBondContact OG-CG 3.48Å; S286-Q289 PolarHBondContact OG-OE1 3.34Å; D287-Q289 VanDerWaalsContact C-N 3.34Å; Q289-C300 HydrophobicContact CB-CB 4.24Å; Q289-V301 WeakPolarHBondContact CA-O 3.49Å; Q289-D302 WeakPolarHBondContact CG-OD1 3.46Å; Q289-D302 PolarHBondContact NE2-OD1 2.96Å; Q289-D302 VanDerWaalsContact NE2-OD1 3.16Å |
| 290 | T | 87.6 | Confident | 90.6 | Very high | 66 Ų | 66 | 66.6 Ų | 66.6 | 41% | 0.405 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 133.4 | 170 | -49.5 | 0 | 0 | 0 | 0 | 108.8 | V301 | T290-V301 PolarHBondContact N-O 2.9Å; T290-V301 WeakPolarHBondContact O-CG2 3.04Å; T290-V301 PolarHBondContact O-N 2.7Å |
| 291 | C | 91.1 | Very high | 90.3 | Very high | 28 Ų | 28 | 63.5 Ų | 63.5 | 19% | 0.189 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 134.5 | 172.6 | -171.6 | 0 | 0 | 0 | 0 | 110.3 | C278 | C278-C291 WeakPolarHBondContact CA-SG 3.36Å; C278-C291 HydrophobicContact CB-CB 3.77Å; C278-C291 WeakPolarHBondContact CB-SG 3.33Å; C278-C291 WeakPolarHBondContact SG-CB 3.44Å; C278-C291 CovalentContact SG-SG 2.04Å; C278-C291 PolarHBondContact SG-SG 3.01Å |
| 292 | V | 90.1 | Very high | 89.9 | Confident | 21 Ų | 21 | 65.8 Ų | 65.8 | 13% | 0.127 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 120 | 172.4 | 176.2 | 0 | 0 | 0 | 0 | 108.6 | C278 I294 Y298 Q299 V301 Y338 | C278-V292 PolarHBondContact SG-N 2.91Å; C278-V292 VanDerWaalsContact SG-N 3.4Å; V292-I294 HydrophobicContact CG1-CG2 4.1Å; V292-Y298 WeakPolarHBondContact O-CA 3.29Å; V292-Q299 PolarHBondContact N-O 3.38Å; V292-Q299 PolarHBondContact O-N 3.36Å; V292-V301 HydrophobicContact CB-CG2 4.49Å; V292-V301 HydrophobicContact CG2-CG2 3.47Å; V292-V301 VanDerWaalsContact CG2-CG2 3.47Å; V292-Y338 HydrophobicContact CB-CD2 4.48Å; V292-Y338 HydrophobicContact CG1-CD1 4.44Å; V292-Y338 HydrophobicContact CG1-CD2 4.04Å; V292-Y338 HydrophobicContact CG1-CG 3.77Å; V292-Y338 HydrophobicContact CG2-CD2 3.62Å; V292-Y338 HydrophobicContact CG2-CE2 3.88Å; V292-Y338 HydrophobicContact CG2-CG 4.14Å |
| 293 | N | 92.1 | Very high | 88.9 | Confident | 42 Ų | 42 | 61.3 Ų | 61.3 | 23% | 0.225 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 132.5 | 176.7 | -172.7 | 44.7 | 0 | 0 | 0 | 110.8 | D274 I275 N276 E277 C278 | D274-N293 PolarHBondContact OD2-ND2 3.13Å; I275-N293 PolarHBondContact O-OD1 2.96Å; N276-N293 WeakPolarHBondContact CA-OD1 3.07Å; N276-N293 WeakPolarHBondContact OD1-CB 2.99Å; E277-N293 PolarHBondContact OE2-OD1 3.33Å; C278-N293 HydrophobicContact CB-CB 4.49Å; C278-N293 PolarHBondContact SG-N 3.01Å |
| 294 | I | 91.4 | Very high | 87.8 | Confident | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 157.9 | 179.4 | 56.8 | 178.9 | 0 | 0 | 0 | 109.9 | V292 G296 R297 Q299 F428 | V292-I294 HydrophobicContact CG1-CG2 4.1Å; I294-G296 PolarHBondContact O-N 2.75Å; I294-R297 CarbonylContact C-O 3.5Å; I294-R297 WeakPolarHBondContact CA-O 3.43Å; I294-R297 HydrophobicContact CD1-CG 3.49Å; I294-R297 VanDerWaalsContact CD1-CG 3.49Å; I294-R297 VanDerWaalsContact CD1-CZ 3.4Å; I294-R297 HydrophobicContact CG1-CG 3.49Å; I294-R297 VanDerWaalsContact CG1-CG 3.49Å; I294-R297 WeakPolarHBondContact CG1-O 3.07Å; I294-R297 PolarHBondContact N-O 2.04Å; I294-R297 CarbonylContact O-C 3.59Å; I294-R297 PolarHBondContact O-N 3.43Å; I294-R297 VanDerWaalsContact O-N 3.13Å; I294-Q299 HydrophobicContact CD1-CB 4.09Å; I294-F428 HydrophobicContact CB-CB 4.31Å; I294-F428 HydrophobicContact CB-CD2 4.24Å; I294-F428 HydrophobicContact CB-CG 4.24Å; I294-F428 HydrophobicContact CD1-CD1 4.05Å; I294-F428 HydrophobicContact CD1-CE1 4.25Å; I294-F428 HydrophobicContact CD1-CG 4.23Å; I294-F428 HydrophobicContact CG2-CB 4.26Å; I294-F428 HydrophobicContact CG2-CD2 3.32Å; I294-F428 HydrophobicContact CG2-CE2 3.67Å; I294-F428 HydrophobicContact CG2-CG 3.79Å; I294-F428 HydrophobicContact CG2-CZ 4.42Å |
| 295 | H | 90.2 | Very high | 86.9 | Confident | 41 Ų | 41 | 56.9 Ų | 56.9 | 19% | 0.19 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 114.3 | -174.8 | -81.6 | -41.5 | 0 | 0 | 0 | 112.3 | Y264 D274 T340 | Y264-H295 WeakPolarHBondContact OH-CB 3.11Å; D274-H295 WeakPolarHBondContact OD1-CA 3.43Å; D274-H295 IonicContact OD1-ND1 2.77Å; D274-H295 IonicContact OD2-ND1 3.64Å; H295-T340 WeakPolarHBondContact CB-OG1 3.29Å; H295-T340 PolarHBondContact CD2-OG1 2.72Å; H295-T340 VanDerWaalsContact CG-OG1 3.27Å; H295-T340 PolarHBondContact N-OG1 2.77Å; H295-T340 VanDerWaalsContact N-OG1 3.16Å |
| 296 | G | 88.1 | Confident | 86.4 | Confident | 21 Ų | 21 | 57 Ų | 57 | 22% | 0.216 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.8 | 2.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116 | D274 I294 | D274-G296 PolarHBondContact OD1-N 2.83Å; I294-G296 PolarHBondContact O-N 2.75Å |
| 297 | R | 90.9 | Very high | 86 | Confident | 108 Ų | 108 | 61.3 Ų | 61.3 | 41% | 0.408 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -166 | 177.1 | 176.6 | 68.6 | -177.5 | -171.5 | -85.6 | -0.4 | 111.5 | E277 I294 | E277-R297 VanDerWaalsContact OE1-CA 3.3Å; E277-R297 WeakPolarHBondContact OE1-CA 3.4Å; E277-R297 VanDerWaalsContact OE2-C 3.31Å; I294-R297 CarbonylContact C-O 3.5Å; I294-R297 WeakPolarHBondContact CA-O 3.43Å; I294-R297 HydrophobicContact CD1-CG 3.49Å; I294-R297 VanDerWaalsContact CD1-CG 3.49Å; I294-R297 VanDerWaalsContact CD1-CZ 3.4Å; I294-R297 HydrophobicContact CG1-CG 3.49Å; I294-R297 VanDerWaalsContact CG1-CG 3.49Å; I294-R297 WeakPolarHBondContact CG1-O 3.07Å; I294-R297 PolarHBondContact N-O 2.04Å; I294-R297 CarbonylContact O-C 3.59Å; I294-R297 PolarHBondContact O-N 3.43Å; I294-R297 VanDerWaalsContact O-N 3.13Å |
| 298 | Y | 92.5 | Very high | 85.7 | Confident | 60 Ų | 60 | 61.8 Ų | 61.8 | 24% | 0.235 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 164.3 | 163.8 | 64.8 | -83.1 | 0 | 0 | 0 | 112.4 | E277 H283 Q284 V292 | E277-Y298 HydrophobicContact CB-CD1 3.58Å; E277-Y298 HydrophobicContact CB-CE1 4.34Å; E277-Y298 HydrophobicContact CB-CG 4.11Å; E277-Y298 HydrophobicContact CG-CD1 3.71Å; E277-Y298 HydrophobicContact CG-CE1 4.41Å; E277-Y298 WeakPolarHBondContact OE2-CB 3.18Å; E277-Y298 PolarHBondContact OE2-N 2.02Å; H283-Y298 HydrophobicContact CB-CD1 4.29Å; H283-Y298 HydrophobicContact CB-CD2 3.76Å; H283-Y298 HydrophobicContact CB-CE1 4.28Å; H283-Y298 HydrophobicContact CB-CE2 3.78Å; H283-Y298 HydrophobicContact CB-CG 4.04Å; Q284-Y298 WeakPolarHBondContact CB-OH 3.38Å; Q284-Y298 WeakPolarHBondContact CG-OH 3.4Å; Q284-Y298 PolarHBondContact N-OH 3.04Å; V292-Y298 WeakPolarHBondContact O-CA 3.29Å |
| 299 | Q | 90.4 | Very high | 85.8 | Confident | 59 Ų | 59 | 58.2 Ų | 58.2 | 28% | 0.276 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 130.2 | 169 | -170.1 | 169.4 | -0.6 | 0 | 0 | 111.3 | V292 I294 V301 | V292-Q299 PolarHBondContact N-O 3.38Å; V292-Q299 PolarHBondContact O-N 3.36Å; I294-Q299 HydrophobicContact CD1-CB 4.09Å; Q299-V301 HydrophobicContact CG-CG1 4.09Å |
| 300 | C | 91 | Very high | 85.8 | Confident | 35 Ų | 35 | 57 Ų | 57 | 24% | 0.236 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 123 | 171.7 | -53.6 | 0 | 0 | 0 | 0 | 109.2 | C285 Q289 | C285-C300 WeakPolarHBondContact CA-SG 3.31Å; C285-C300 HydrophobicContact CB-CB 3.75Å; C285-C300 WeakPolarHBondContact CB-SG 3.47Å; C285-C300 PolarHBondContact N-SG 3.29Å; C285-C300 VanDerWaalsContact N-SG 3.42Å; C285-C300 WeakPolarHBondContact SG-CA 3.37Å; C285-C300 WeakPolarHBondContact SG-CB 2.99Å; C285-C300 CovalentContact SG-SG 2.04Å; C285-C300 PolarHBondContact SG-SG 3.34Å; Q289-C300 HydrophobicContact CB-CB 4.24Å |
| 301 | V | 86.9 | Confident | 85.8 | Confident | 13 Ų | 13 | 56.2 Ų | 56.2 | 8% | 0.079 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 132.7 | -177.8 | -73.2 | 0 | 0 | 0 | 0 | 109.4 | Q289 T290 V292 Q299 A303 Y338 | Q289-V301 WeakPolarHBondContact CA-O 3.49Å; T290-V301 PolarHBondContact N-O 2.9Å; T290-V301 WeakPolarHBondContact O-CG2 3.04Å; T290-V301 PolarHBondContact O-N 2.7Å; V292-V301 HydrophobicContact CB-CG2 4.49Å; V292-V301 HydrophobicContact CG2-CG2 3.47Å; V292-V301 VanDerWaalsContact CG2-CG2 3.47Å; Q299-V301 HydrophobicContact CG-CG1 4.09Å; V301-A303 PolarHBondContact O-N 3.24Å; V301-Y338 HydrophobicContact CG1-CE1 4.2Å; V301-Y338 HydrophobicContact CG2-CE2 4.13Å |
| 302 | D | 84.2 | Confident | 85.4 | Confident | 96 Ų | 96 | 58.8 Ų | 58.8 | 51% | 0.513 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 141.3 | -176.8 | -59.4 | -31.3 | 0 | 0 | 0 | 111.1 | Q289 N304 R305 | Q289-D302 WeakPolarHBondContact CG-OD1 3.46Å; Q289-D302 PolarHBondContact NE2-OD1 2.96Å; Q289-D302 VanDerWaalsContact NE2-OD1 3.16Å; D302-N304 VanDerWaalsContact C-N 3.26Å; D302-N304 PolarHBondContact O-N 3.21Å; D302-R305 WeakPolarHBondContact O-CG 3.14Å; D302-R305 PolarHBondContact O-NE 2.87Å |
| 303 | A | 69.1 | Low | 84.9 | Confident | 46 Ų | 46 | 62.6 Ų | 62.6 | 38% | 0.38 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -66 | -30.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | T288 V301 | T288-A303 WeakPolarHBondContact O-CB 3.01Å; T288-A303 PolarHBondContact O-N 2.98Å; T288-A303 VanDerWaalsContact O-N 3.1Å; V301-A303 PolarHBondContact O-N 3.24Å |
| 304 | N | 71.2 | Confident | 84.2 | Confident | 114 Ų | 114 | 63.2 Ų | 63.2 | 61% | 0.61 | 33% | 0.328 | S | S | * | . | trans | -104.4 | 78 | -176.2 | -157.1 | 3.3 | 0 | 0 | 0 | 112 | D302 C306 | D302-N304 VanDerWaalsContact C-N 3.26Å; D302-N304 PolarHBondContact O-N 3.21Å; N304-C306 VanDerWaalsContact C-N 3.34Å; N304-C306 PolarHBondContact O-N 2.89Å | ||
| 305 | R | 75 | Confident | 83.1 | Confident | 33 Ų | 33 | 69.5 Ų | 69.5 | 13% | 0.125 | 36% | 0.362 | C | S | . | . | trans | -87.1 | 1.5 | -172.5 | -53.4 | -164.6 | -164.6 | 125.9 | 10.3 | 115.5 | D302 Q307 N316 Y338 | D302-R305 WeakPolarHBondContact O-CG 3.14Å; D302-R305 PolarHBondContact O-NE 2.87Å; R305-Q307 PolarHBondContact O-N 2.86Å; R305-N316 VanDerWaalsContact CZ-OD1 3.3Å; R305-N316 PolarHBondContact NH1-OD1 3.02Å; R305-N316 PolarHBondContact NH2-OD1 2.76Å; R305-Y338 WeakPolarHBondContact CD-OH 3.25Å; R305-Y338 PolarHBondContact NE-OH 3.35Å; R305-Y338 VanDerWaalsContact NE-OH 3.16Å; R305-Y338 PolarHBondContact NH1-OH 3.25Å | ||
| 306 | C | 81.8 | Confident | 82.5 | Confident | 23 Ų | 23 | 69.6 Ų | 69.6 | 16% | 0.155 | 36% | 0.364 | C | S | . | . | trans | -77.1 | 111.2 | -175.6 | -55.4 | 0 | 0 | 0 | 0 | 109.8 | N304 H312 C318 | N304-C306 VanDerWaalsContact C-N 3.34Å; N304-C306 PolarHBondContact O-N 2.89Å; C306-H312 VanDerWaalsContact SG-CA 3.51Å; C306-C318 WeakPolarHBondContact CA-SG 3.43Å; C306-C318 HydrophobicContact CB-CB 3.86Å; C306-C318 WeakPolarHBondContact CB-SG 3.01Å; C306-C318 WeakPolarHBondContact SG-CA 3.48Å; C306-C318 WeakPolarHBondContact SG-CB 3.46Å; C306-C318 CovalentContact SG-SG 2.04Å; C306-C318 PolarHBondContact SG-SG 3.04Å | ||
| 307 | Q | 83.4 | Confident | 82.4 | Confident | 141 Ų | 141 | 70.6 Ų | 70.6 | 66% | 0.659 | 36% | 0.363 | S | S | * | . | trans | -72.1 | 143 | 169.4 | -67.1 | 178.5 | -19.7 | 0 | 0 | 109.4 | R305 Y310 | R305-Q307 PolarHBondContact O-N 2.86Å; Q307-Y310 VanDerWaalsContact O-CB 3.31Å; Q307-Y310 WeakPolarHBondContact O-CB 3.02Å; Q307-Y310 PolarHBondContact O-N 3.34Å | ||
| 308 | E | 79.5 | Confident | 82.4 | Confident | 186 Ų | 186 | 65.6 Ų | 65.6 | 87% | 0.869 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 135.5 | 169.4 | -69.3 | -136.2 | 151.3 | 0 | 0 | 109.9 | ||
| 309 | P | 88 | Confident | 82.3 | Confident | 27 Ų | 27 | 63.4 Ų | 63.4 | 18% | 0.175 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -94.3 | 6.5 | 14.3 | 36 | -35.8 | 0 | 0 | 0 | 116 | K324 A326 L330 | P309-K324 PolarHBondContact O-NZ 2.87Å; P309-A326 HydrophobicContact CB-CB 3.79Å; P309-A326 HydrophobicContact CG-CB 3.98Å; P309-L330 HydrophobicContact CG-CD1 3.44Å; P309-L330 VanDerWaalsContact CG-CD1 3.44Å |
| 310 | Y | 87.7 | Confident | 82.3 | Confident | 35 Ų | 35 | 60.8 Ų | 60.8 | 14% | 0.137 | 33% | 0.326 | C | S | . | . | trans | -67.6 | 145.2 | -177.1 | -70.2 | -91.8 | 0 | 0 | 0 | 112.4 | Q307 C318 C320 L330 P331 V334 | Q307-Y310 VanDerWaalsContact O-CB 3.31Å; Q307-Y310 WeakPolarHBondContact O-CB 3.02Å; Q307-Y310 PolarHBondContact O-N 3.34Å; Y310-C318 HydrophobicContact CD1-CB 4.04Å; Y310-C318 HydrophobicContact CG-CB 4.19Å; Y310-C320 HydrophobicContact CD1-CB 3.75Å; Y310-C320 HydrophobicContact CE1-CB 3.52Å; Y310-L330 HydrophobicContact CE2-CD1 4.22Å; Y310-P331 VanDerWaalsContact CE1-O 3.26Å; Y310-P331 WeakPolarHBondContact CE1-O 3.39Å; Y310-P331 VanDerWaalsContact OH-CD 3.3Å; Y310-P331 WeakPolarHBondContact OH-CD 3.01Å; Y310-P331 PolarHBondContact OH-O 3.4Å; Y310-V334 HydrophobicContact CD1-CG2 4.32Å; Y310-V334 HydrophobicContact CE1-CB 4.41Å; Y310-V334 HydrophobicContact CE1-CG2 3.61Å; Y310-V334 HydrophobicContact CE2-CG2 4.17Å | ||
| 311 | T | 86.7 | Confident | 81.9 | Confident | 51 Ų | 51 | 60.8 Ų | 60.8 | 31% | 0.313 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 137.5 | 171.9 | 53.2 | 0 | 0 | 0 | 0 | 110.2 | N313 V319 K324 | T311-N313 PolarHBondContact O-N 2.92Å; T311-V319 PolarHBondContact N-O 3.5Å; T311-V319 PolarHBondContact O-N 3.21Å; T311-V319 PolarHBondContact OG1-O 3.21Å; T311-K324 VanDerWaalsContact CG2-NZ 3.28Å |
| 312 | H | 83.4 | Confident | 81.6 | Confident | 82 Ų | 82 | 67.4 Ų | 67.4 | 38% | 0.38 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 127 | 172.3 | -175 | -91.5 | 0 | 0 | 0 | 110.2 | C306 S314 | C306-H312 VanDerWaalsContact SG-CA 3.51Å; H312-S314 PolarHBondContact NE2-O 3.35Å |
| 313 | N | 80.2 | Confident | 81.6 | Confident | 100 Ų | 100 | 67.9 Ų | 67.9 | 54% | 0.535 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | -54.4 | 177 | -169.4 | -20.5 | 0 | 0 | 0 | 110.7 | T311 L317 V319 | T311-N313 PolarHBondContact O-N 2.92Å; N313-L317 HydrophobicContact CB-CD2 4.32Å; N313-L317 HydrophobicContact CB-CG 4.38Å; N313-L317 PolarHBondContact N-O 3.47Å; N313-V319 HydrophobicContact CB-CG1 4.04Å; N313-V319 HydrophobicContact CB-CG2 3.95Å |
| 314 | S | 76.8 | Confident | 82.4 | Confident | 56 Ų | 56 | 69 Ų | 69 | 39% | 0.392 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 176.5 | 177.8 | 60.8 | 0 | 0 | 0 | 0 | 110 | H312 N316 L317 | H312-S314 PolarHBondContact NE2-O 3.35Å; S314-N316 PolarHBondContact O-N 3.22Å; S314-L317 PolarHBondContact O-N 3.28Å |
| 315 | D | 68.9 | Low | 83.1 | Confident | 133 Ų | 133 | 69.3 Ų | 69.3 | 71% | 0.711 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | 114.5 | -175.3 | -64.9 | -42.9 | 0 | 0 | 0 | 112.7 | L317 | D315-L317 PolarHBondContact O-N 3.26Š|
| 316 | N | 76.6 | Confident | 83.8 | Confident | 43 Ų | 43 | 71 Ų | 71 | 23% | 0.23 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | 9.4 | -178.6 | -45.9 | -76.1 | 0 | 0 | 0 | 116 | R305 S314 V335 H336 | R305-N316 VanDerWaalsContact CZ-OD1 3.3Å; R305-N316 PolarHBondContact NH1-OD1 3.02Å; R305-N316 PolarHBondContact NH2-OD1 2.76Å; S314-N316 PolarHBondContact O-N 3.22Å; N316-V335 CarbonylContact O-C 3.54Å; N316-V335 VanDerWaalsContact O-CA 3.26Å; N316-V335 WeakPolarHBondContact O-CA 3.04Å; N316-H336 HydrophobicContact CB-CB 4.25Å; N316-H336 WeakPolarHBondContact CB-O 3.41Å; N316-H336 PolarHBondContact O-N 2.89Å |
| 317 | L | 87 | Confident | 84 | Confident | 41 Ų | 41 | 70.1 Ų | 70.1 | 22% | 0.215 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 113.4 | 176.5 | 174.8 | 67.1 | 0 | 0 | 0 | 110.9 | N313 S314 D315 V319 V335 | N313-L317 HydrophobicContact CB-CD2 4.32Å; N313-L317 HydrophobicContact CB-CG 4.38Å; N313-L317 PolarHBondContact N-O 3.47Å; S314-L317 PolarHBondContact O-N 3.28Å; D315-L317 PolarHBondContact O-N 3.26Å; L317-V319 HydrophobicContact CD1-CG1 4.24Å; L317-V319 HydrophobicContact CD2-CG1 4.35Å; L317-V319 HydrophobicContact CG-CG1 4.08Å; L317-V335 HydrophobicContact CD1-CG2 3.52Å |
| 318 | C | 90.2 | Very high | 84 | Confident | 3 Ų | 3 | 73.5 Ų | 73.5 | 2% | 0.02 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 131.1 | 173.5 | -61.7 | 0 | 0 | 0 | 0 | 109.3 | C306 Y310 S333 V334 | C306-C318 WeakPolarHBondContact CA-SG 3.43Å; C306-C318 HydrophobicContact CB-CB 3.86Å; C306-C318 WeakPolarHBondContact CB-SG 3.01Å; C306-C318 WeakPolarHBondContact SG-CA 3.48Å; C306-C318 WeakPolarHBondContact SG-CB 3.46Å; C306-C318 CovalentContact SG-SG 2.04Å; C306-C318 PolarHBondContact SG-SG 3.04Å; Y310-C318 HydrophobicContact CD1-CB 4.04Å; Y310-C318 HydrophobicContact CG-CB 4.19Å; C318-S333 CarbonylContact O-C 3.59Å; C318-S333 WeakPolarHBondContact O-CA 3.45Å; C318-V334 HydrophobicContact CB-CB 4.3Å; C318-V334 PolarHBondContact N-O 3.49Å; C318-V334 PolarHBondContact O-N 2.84Å |
| 319 | V | 90.1 | Very high | 84.3 | Confident | 15 Ų | 15 | 71.5 Ų | 71.5 | 9% | 0.091 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 142.1 | 179.3 | -61.1 | 0 | 0 | 0 | 0 | 111.5 | T311 N313 L317 P321 Y332 | T311-V319 PolarHBondContact N-O 3.5Å; T311-V319 PolarHBondContact O-N 3.21Å; T311-V319 PolarHBondContact OG1-O 3.21Å; N313-V319 HydrophobicContact CB-CG1 4.04Å; N313-V319 HydrophobicContact CB-CG2 3.95Å; L317-V319 HydrophobicContact CD1-CG1 4.24Å; L317-V319 HydrophobicContact CD2-CG1 4.35Å; L317-V319 HydrophobicContact CG-CG1 4.08Å; V319-P321 WeakPolarHBondContact O-CD 3.46Å; V319-Y332 CarbonylContact C-O 3.18Å; V319-Y332 WeakPolarHBondContact CA-O 3.32Å |
| 320 | C | 90 | Very high | 84.3 | Confident | 3 Ų | 3 | 73.3 Ų | 73.3 | 2% | 0.02 | 40% | 0.395 | C | S | . | . | trans | -110.7 | 94.6 | 174.8 | -135.8 | 0 | 0 | 0 | 0 | 108 | Y310 C327 Y332 | Y310-C320 HydrophobicContact CD1-CB 3.75Å; Y310-C320 HydrophobicContact CE1-CB 3.52Å; C320-C327 WeakPolarHBondContact CA-SG 3.38Å; C320-C327 HydrophobicContact CB-CB 3.64Å; C320-C327 WeakPolarHBondContact CB-SG 3.38Å; C320-C327 VanDerWaalsContact SG-CA 3.5Å; C320-C327 WeakPolarHBondContact SG-CB 3.45Å; C320-C327 CovalentContact SG-SG 2.02Å; C320-C327 PolarHBondContact SG-SG 3.46Å; C320-Y332 PolarHBondContact N-O 3Å | ||
| 321 | P | 83.7 | Confident | 84.5 | Confident | 35 Ų | 35 | 71.8 Ų | 71.8 | 23% | 0.227 | 39% | 0.39 | C | S | . | . | trans | -68.8 | 142.5 | -176.9 | 28.2 | -33.8 | 0 | 0 | 0 | 110.7 | V319 S323 K324 | V319-P321 WeakPolarHBondContact O-CD 3.46Å; P321-S323 PolarHBondContact O-N 3.43Å; P321-K324 HydrophobicContact CG-CD 4.27Å; P321-K324 HydrophobicContact CG-CG 4.13Å; P321-K324 PolarHBondContact O-N 3.28Å | ||
| 322 | H | 80.3 | Confident | 84.6 | Confident | 153 Ų | 153 | 74.3 Ų | 74.3 | 71% | 0.708 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -17.8 | 177.4 | -72.1 | -65.5 | 0 | 0 | 0 | 113.9 | K324 | H322-K324 PolarHBondContact O-N 3.48Š|
| 323 | S | 83.6 | Confident | 84.9 | Confident | 105 Ų | 105 | 71.1 Ų | 71.1 | 73% | 0.734 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -19.4 | 174.5 | 55.9 | 0 | 0 | 0 | 0 | 113.7 | P321 | P321-S323 PolarHBondContact O-N 3.43Š|
| 324 | K | 86.8 | Confident | 85.4 | Confident | 70 Ų | 70 | 66.8 Ų | 66.8 | 30% | 0.304 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -92.1 | 120.6 | 177.1 | -74.9 | -170 | -178.5 | -169.1 | 0 | 110.5 | P309 T311 P321 H322 A326 C327 | P309-K324 PolarHBondContact O-NZ 2.87Å; T311-K324 VanDerWaalsContact CG2-NZ 3.28Å; P321-K324 HydrophobicContact CG-CD 4.27Å; P321-K324 HydrophobicContact CG-CG 4.13Å; P321-K324 PolarHBondContact O-N 3.28Å; H322-K324 PolarHBondContact O-N 3.48Å; K324-A326 PolarHBondContact O-N 3.13Å; K324-C327 HydrophobicContact CB-CB 4.27Å; K324-C327 WeakPolarHBondContact O-CB 3.06Å; K324-C327 PolarHBondContact O-N 2.84Å |
| 325 | P | 86.5 | Confident | 86 | Confident | 121 Ų | 121 | 65.7 Ų | 65.7 | 79% | 0.786 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -58.5 | -35 | 179.5 | -24.1 | 32.9 | 0 | 0 | 0 | 113.4 | C327 R328 | P325-C327 PolarHBondContact O-N 2.94Å; P325-C327 VanDerWaalsContact O-N 3.16Å; P325-R328 WeakPolarHBondContact O-CB 3.44Å; P325-R328 PolarHBondContact O-N 3.34Å |
| 326 | A | 87.8 | Confident | 87 | Confident | 67 Ų | 67 | 60.3 Ų | 60.3 | 55% | 0.554 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -63.6 | -16.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | P309 K324 L330 | P309-A326 HydrophobicContact CB-CB 3.79Å; P309-A326 HydrophobicContact CG-CB 3.98Å; K324-A326 PolarHBondContact O-N 3.13Å; A326-L330 WeakPolarHBondContact O-CD1 3.35Å |
| 327 | C | 87.1 | Confident | 87.6 | Confident | 5 Ų | 5 | 63.4 Ų | 63.4 | 3% | 0.034 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -89.4 | -3.3 | -179.6 | -68.2 | 0 | 0 | 0 | 0 | 114.3 | C320 K324 P325 D329 L330 | C320-C327 WeakPolarHBondContact CA-SG 3.38Å; C320-C327 HydrophobicContact CB-CB 3.64Å; C320-C327 WeakPolarHBondContact CB-SG 3.38Å; C320-C327 VanDerWaalsContact SG-CA 3.5Å; C320-C327 WeakPolarHBondContact SG-CB 3.45Å; C320-C327 CovalentContact SG-SG 2.02Å; C320-C327 PolarHBondContact SG-SG 3.46Å; K324-C327 HydrophobicContact CB-CB 4.27Å; K324-C327 WeakPolarHBondContact O-CB 3.06Å; K324-C327 PolarHBondContact O-N 2.84Å; P325-C327 PolarHBondContact O-N 2.94Å; P325-C327 VanDerWaalsContact O-N 3.16Å; C327-D329 VanDerWaalsContact C-N 3.3Å; C327-D329 PolarHBondContact O-N 3.19Å; C327-L330 PolarHBondContact O-N 2.88Å |
| 328 | R | 83.9 | Confident | 87.7 | Confident | 213 Ų | 213 | 64 Ų | 64 | 80% | 0.804 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -41.3 | -168.9 | -174.9 | 179.4 | 178 | 178.4 | -0.9 | 113.9 | P325 | P325-R328 WeakPolarHBondContact O-CB 3.44Å; P325-R328 PolarHBondContact O-N 3.34Å |
| 329 | D | 85.1 | Confident | 87.8 | Confident | 143 Ų | 143 | 65.4 Ų | 65.4 | 77% | 0.765 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.5 | 12.5 | -176.1 | -56.8 | -47.1 | 0 | 0 | 0 | 112.6 | C327 | C327-D329 VanDerWaalsContact C-N 3.3Å; C327-D329 PolarHBondContact O-N 3.19Å |
| 330 | L | 88.7 | Confident | 87.9 | Confident | 65 Ų | 65 | 66.5 Ų | 66.5 | 34% | 0.34 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -101.5 | 153 | 179.1 | -66 | 179.9 | 0 | 0 | 0 | 110.8 | P309 Y310 A326 C327 Y332 | P309-L330 HydrophobicContact CG-CD1 3.44Å; P309-L330 VanDerWaalsContact CG-CD1 3.44Å; Y310-L330 HydrophobicContact CE2-CD1 4.22Å; A326-L330 WeakPolarHBondContact O-CD1 3.35Å; C327-L330 PolarHBondContact O-N 2.88Å; L330-Y332 PolarHBondContact O-N 3.41Å |
| 331 | P | 90.4 | Very high | 88 | Confident | 3 Ų | 3 | 66.4 Ų | 66.4 | 2% | 0.019 | 34% | 0.341 | C | S | . | . | trans | -52.7 | 138.8 | 168.9 | -23.6 | 29.7 | 0 | 0 | 0 | 111.3 | Y310 S333 S420 V422 | Y310-P331 VanDerWaalsContact CE1-O 3.26Å; Y310-P331 WeakPolarHBondContact CE1-O 3.39Å; Y310-P331 VanDerWaalsContact OH-CD 3.3Å; Y310-P331 WeakPolarHBondContact OH-CD 3.01Å; Y310-P331 PolarHBondContact OH-O 3.4Å; P331-S333 VanDerWaalsContact C-N 3.27Å; P331-S333 PolarHBondContact O-N 3.01Å; P331-S420 CarbonylContact C-O 3.49Å; P331-S420 WeakPolarHBondContact CA-O 3.46Å; P331-V422 HydrophobicContact CB-CB 4.38Å; P331-V422 HydrophobicContact CB-CG2 3.8Å; P331-V422 HydrophobicContact CG-CB 4.37Å; P331-V422 HydrophobicContact CG-CG2 3.46Å; P331-V422 VanDerWaalsContact CG-CG2 3.46Å | ||
| 332 | Y | 89.4 | Confident | 88.4 | Confident | 104 Ų | 104 | 65.8 Ų | 65.8 | 41% | 0.408 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -59.1 | -39.6 | 177.8 | 175.1 | -100.4 | 0 | 0 | 0 | 111.7 | V319 C320 L330 S420 | V319-Y332 CarbonylContact C-O 3.18Å; V319-Y332 WeakPolarHBondContact CA-O 3.32Å; C320-Y332 PolarHBondContact N-O 3Å; L330-Y332 PolarHBondContact O-N 3.41Å; Y332-S420 WeakPolarHBondContact CB-O 3.32Å; Y332-S420 PolarHBondContact N-O 2.87Å |
| 333 | S | 89.8 | Confident | 89 | Confident | 15 Ų | 15 | 58.8 Ų | 58.8 | 11% | 0.105 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 151.3 | 174.5 | 62.3 | 0 | 0 | 0 | 0 | 112.9 | C318 P331 S421 V422 | C318-S333 CarbonylContact O-C 3.59Å; C318-S333 WeakPolarHBondContact O-CA 3.45Å; P331-S333 VanDerWaalsContact C-N 3.27Å; P331-S333 PolarHBondContact O-N 3.01Å; S333-S421 WeakPolarHBondContact O-CA 3.31Å; S333-S421 WeakPolarHBondContact OG-CB 3.33Å; S333-S421 PolarHBondContact OG-OG 3.26Å; S333-V422 PolarHBondContact O-N 3.41Å |
| 334 | V | 90.9 | Very high | 89.4 | Confident | 10 Ų | 10 | 59.5 Ų | 59.5 | 6% | 0.061 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 123.1 | 171.2 | -178.4 | 0 | 0 | 0 | 0 | 107.8 | Y310 C318 V422 R424 | Y310-V334 HydrophobicContact CD1-CG2 4.32Å; Y310-V334 HydrophobicContact CE1-CB 4.41Å; Y310-V334 HydrophobicContact CE1-CG2 3.61Å; Y310-V334 HydrophobicContact CE2-CG2 4.17Å; C318-V334 HydrophobicContact CB-CB 4.3Å; C318-V334 PolarHBondContact N-O 3.49Å; C318-V334 PolarHBondContact O-N 2.84Å; V334-V422 CarbonylContact C-O 3.56Å; V334-V422 VanDerWaalsContact CA-O 3.24Å; V334-V422 WeakPolarHBondContact CA-O 3.05Å; V334-V422 HydrophobicContact CG2-CB 4.34Å; V334-R424 HydrophobicContact CG1-CB 4.24Å |
| 335 | V | 89.9 | Confident | 89.5 | Confident | 33 Ų | 33 | 60.9 Ų | 60.9 | 20% | 0.2 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 129.5 | 176.1 | 179.3 | 0 | 0 | 0 | 0 | 109.2 | N316 L317 R337 V422 L423 R424 | N316-V335 CarbonylContact O-C 3.54Å; N316-V335 VanDerWaalsContact O-CA 3.26Å; N316-V335 WeakPolarHBondContact O-CA 3.04Å; L317-V335 HydrophobicContact CD1-CG2 3.52Å; V335-R337 HydrophobicContact CG1-CG 4.39Å; V335-V422 PolarHBondContact N-O 2.86Å; V335-L423 HydrophobicContact CB-CD1 4.22Å; V335-L423 HydrophobicContact CG1-CD1 4.15Å; V335-L423 CarbonylContact O-C 3.58Å; V335-L423 WeakPolarHBondContact O-CA 3.48Å; V335-R424 PolarHBondContact O-N 2.02Å |
| 336 | H | 88.5 | Confident | 89.7 | Confident | 19 Ų | 19 | 59.9 Ų | 59.9 | 9% | 0.088 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 132.7 | 175.4 | -68.1 | -111.8 | 0 | 0 | 0 | 111 | N316 R424 | N316-H336 HydrophobicContact CB-CB 4.25Å; N316-H336 WeakPolarHBondContact CB-O 3.41Å; N316-H336 PolarHBondContact O-N 2.89Å; H336-R424 WeakPolarHBondContact CA-O 3.35Å |
| 337 | R | 89.9 | Confident | 89.8 | Confident | 108 Ų | 108 | 58.7 Ų | 58.7 | 41% | 0.408 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 152.8 | 172.5 | -69.6 | -65.3 | -178.7 | -103.5 | 7.5 | 110.5 | V335 L423 R424 L425 S426 | V335-R337 HydrophobicContact CG1-CG 4.39Å; R337-L423 HydrophobicContact CB-CD1 3.91Å; R337-L423 HydrophobicContact CG-CD1 3.52Å; R337-R424 PolarHBondContact N-O 3.39Å; R337-L425 HydrophobicContact CB-CD1 3.86Å; R337-L425 WeakPolarHBondContact O-CA 3.37Å; R337-S426 PolarHBondContact O-N 2.96Å |
| 338 | Y | 89.4 | Confident | 90.1 | Very high | 54 Ų | 54 | 63.1 Ų | 63.1 | 21% | 0.212 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 145 | 176.4 | -53.9 | -84.5 | 0 | 0 | 0 | 108.9 | V292 V301 R305 S426 F428 | V292-Y338 HydrophobicContact CB-CD2 4.48Å; V292-Y338 HydrophobicContact CG1-CD1 4.44Å; V292-Y338 HydrophobicContact CG1-CD2 4.04Å; V292-Y338 HydrophobicContact CG1-CG 3.77Å; V292-Y338 HydrophobicContact CG2-CD2 3.62Å; V292-Y338 HydrophobicContact CG2-CE2 3.88Å; V292-Y338 HydrophobicContact CG2-CG 4.14Å; V301-Y338 HydrophobicContact CG1-CE1 4.2Å; V301-Y338 HydrophobicContact CG2-CE2 4.13Å; R305-Y338 WeakPolarHBondContact CD-OH 3.25Å; R305-Y338 PolarHBondContact NE-OH 3.35Å; R305-Y338 VanDerWaalsContact NE-OH 3.16Å; R305-Y338 PolarHBondContact NH1-OH 3.25Å; Y338-S426 WeakPolarHBondContact CA-O 3.3Å; Y338-F428 AromaticContact CD1-CE2 3.78Å; Y338-F428 HydrophobicContact CD1-CE2 3.78Å; Y338-F428 HydrophobicContact CD1-CZ 4.16Å; Y338-F428 HydrophobicContact CG-CE2 4.46Å |
| 339 | M | 91.6 | Very high | 90.6 | Very high | 32 Ų | 32 | 54 Ų | 54 | 16% | 0.158 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 160.4 | 169.3 | 65.8 | 175.8 | -60.9 | 0 | 0 | 109.3 | I341 I351 F352 L425 S426 I427 F428 | M339-I341 HydrophobicContact CE-CG2 3.71Å; M339-I351 HydrophobicContact CE-CB 4.25Å; M339-I351 VanDerWaalsContact CE-O 3.22Å; M339-I351 WeakPolarHBondContact CE-O 3.11Å; M339-F352 HydrophobicContact CE-CD2 4.5Å; M339-F352 HydrophobicContact SD-CB 4Å; M339-F352 HydrophobicContact SD-CD2 3.66Å; M339-F352 HydrophobicContact SD-CG 4.19Å; M339-L425 HydrophobicContact CG-CD1 3.94Å; M339-L425 HydrophobicContact CG-CG 4.38Å; M339-L425 HydrophobicContact SD-CD1 4.1Å; M339-L425 HydrophobicContact SD-CD2 3.84Å; M339-L425 HydrophobicContact SD-CG 4.29Å; M339-S426 PolarHBondContact N-O 3.25Å; M339-I427 HydrophobicContact CG-CB 4.22Å; M339-I427 HydrophobicContact CG-CG1 3.84Å; M339-I427 HydrophobicContact CG-CG2 4.11Å; M339-I427 WeakPolarHBondContact O-CA 3.2Å; M339-I427 HydrophobicContact SD-CD1 4.23Å; M339-I427 HydrophobicContact SD-CG1 3.98Å; M339-I427 HydrophobicContact SD-CG2 4.48Å; M339-F428 WeakPolarHBondContact O-CD2 3.03Å; M339-F428 PolarHBondContact O-N 3.39Å |
| 340 | T | 92 | Very high | 91.1 | Very high | 38 Ų | 38 | 50.6 Ų | 50.6 | 23% | 0.233 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 145.4 | 175.8 | -172.9 | 0 | 0 | 0 | 0 | 109.4 | H295 F428 | H295-T340 WeakPolarHBondContact CB-OG1 3.29Å; H295-T340 PolarHBondContact CD2-OG1 2.72Å; H295-T340 VanDerWaalsContact CG-OG1 3.27Å; H295-T340 PolarHBondContact N-OG1 2.77Å; H295-T340 VanDerWaalsContact N-OG1 3.16Å; T340-F428 CarbonylContact C-O 3.5Å; T340-F428 VanDerWaalsContact CA-O 3.28Å; T340-F428 WeakPolarHBondContact CA-O 3.4Å; T340-F428 PolarHBondContact OG1-O 3.24Å |
| 341 | I | 93.1 | Very high | 91.4 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 153.4 | 172.5 | 63.7 | 175.1 | 0 | 0 | 0 | 109.3 | M339 V396 I427 F428 V429 G430 | M339-I341 HydrophobicContact CE-CG2 3.71Å; I341-V396 HydrophobicContact CD1-CG2 3.89Å; I341-I427 HydrophobicContact CD1-CG2 4Å; I341-I427 HydrophobicContact CG1-CG2 3.98Å; I341-I427 HydrophobicContact CG2-CG2 4.39Å; I341-F428 PolarHBondContact N-O 3.09Å; I341-V429 HydrophobicContact CD1-CG2 4.05Å; I341-V429 HydrophobicContact CG1-CB 4.39Å; I341-V429 HydrophobicContact CG1-CG1 4.36Å; I341-V429 HydrophobicContact CG1-CG2 3.96Å; I341-V429 WeakPolarHBondContact O-CA 3.03Å; I341-G430 PolarHBondContact O-N 2.77Å |
| 342 | T | 92.8 | Very high | 91.6 | Very high | 22 Ų | 22 | 50.6 Ų | 50.6 | 14% | 0.135 | 26% | 0.263 | C | S | . | . | trans | -75.2 | 155.4 | 175.5 | 56.2 | 0 | 0 | 0 | 0 | 111.6 | T433 F434 | T342-T433 WeakPolarHBondContact CB-O 3.25Å; T342-T433 PolarHBondContact OG1-O 3.17Å; T342-F434 VanDerWaalsContact CG2-C 3.43Å; T342-F434 WeakPolarHBondContact CG2-O 3.41Å | ||
| 343 | S | 92.5 | Very high | 91.9 | Very high | 6 Ų | 6 | 49.8 Ų | 49.8 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 147.6 | 173.4 | -158.7 | 0 | 0 | 0 | 0 | 110.7 | R345 S397 G398 G430 Y432 T433 | S343-R345 PolarHBondContact O-N 2.78Å; S343-S397 WeakPolarHBondContact OG-CA 3.38Å; S343-G398 PolarHBondContact OG-N 2.83Å; S343-G430 VanDerWaalsContact CB-O 3.3Å; S343-G430 WeakPolarHBondContact CB-O 3.42Å; S343-Y432 VanDerWaalsContact CB-O 3.27Å; S343-Y432 WeakPolarHBondContact CB-O 3.49Å; S343-Y432 PolarHBondContact N-O 3.48Å; S343-T433 VanDerWaalsContact O-CA 3.29Å; S343-T433 WeakPolarHBondContact O-CA 3.25Å; S343-T433 WeakPolarHBondContact O-CG2 3.4Å |
| 344 | E | 91.4 | Very high | 92.1 | Very high | 119 Ų | 119 | 50 Ų | 50 | 56% | 0.556 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 27.2 | 174 | -49.1 | -164.6 | 155.3 | 0 | 0 | 114.5 | S346 V396 T433 | E344-S346 PolarHBondContact O-N 3.45Å; E344-V396 PolarHBondContact N-O 3.44Å; E344-T433 HydrophobicContact CB-CG2 3.96Å; E344-T433 HydrophobicContact CG-CG2 4.2Å |
| 345 | R | 89.8 | Confident | 92 | Very high | 99 Ų | 99 | 56 Ų | 56 | 37% | 0.374 | 29% | 0.292 | S | S | . | . | trans | -53.5 | 135.8 | 175.2 | -173.9 | 177.6 | -176.7 | 121.8 | -3.6 | 110 | S343 A347 L392 | S343-R345 PolarHBondContact O-N 2.78Å; R345-A347 PolarHBondContact O-N 3.5Å; R345-L392 HydrophobicContact CB-CD2 4.25Å | ||
| 346 | S | 90.4 | Very high | 91.7 | Very high | 101 Ų | 101 | 55.5 Ų | 55.5 | 71% | 0.706 | 29% | 0.289 | S | S | * | . | trans | -51.8 | 132 | 178 | -55.6 | 0 | 0 | 0 | 0 | 111.3 | E344 S349 | E344-S346 PolarHBondContact O-N 3.45Å; S346-S349 WeakPolarHBondContact O-CB 3.06Å; S346-S349 PolarHBondContact O-OG 3Å | ||
| 347 | A | 89.3 | Confident | 91.1 | Very high | 41 Ų | 41 | 60.9 Ų | 60.9 | 34% | 0.339 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -124.8 | 145.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | R345 L392 R394 | R345-A347 PolarHBondContact O-N 3.5Å; A347-L392 HydrophobicContact CB-CD2 4.33Å; A347-L392 HydrophobicContact CB-CG 4.32Å; A347-R394 VanDerWaalsContact CB-CA 3.42Å |
| 348 | P | 93.3 | Very high | 90 | Very high | 98 Ų | 98 | 62.8 Ų | 62.8 | 64% | 0.636 | 34% | 0.342 | S | S | * | . | S | Bend | cis | -75.9 | 139.4 | 2.5 | 30.5 | -34.1 | 0 | 0 | 0 | 112.8 | V391 L392 | P348-V391 HydrophobicContact CB-CG1 4.16Å; P348-L392 WeakPolarHBondContact CA-O 3.46Å |
| 349 | S | 94.6 | Very high | 88.8 | Confident | 21 Ų | 21 | 67.1 Ų | 67.1 | 15% | 0.147 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 136.8 | 176.6 | 67.8 | 0 | 0 | 0 | 0 | 112.9 | S346 I351 V391 L392 | S346-S349 WeakPolarHBondContact O-CB 3.06Å; S346-S349 PolarHBondContact O-OG 3Å; S349-I351 PolarHBondContact O-N 2.94Å; S349-V391 WeakPolarHBondContact O-CA 3.41Å; S349-V391 WeakPolarHBondContact O-CG1 3.35Å; S349-L392 PolarHBondContact N-O 3.2Å; S349-L392 PolarHBondContact O-N 3.06Å |
| 350 | D | 95.4 | Very high | 87.7 | Confident | 72 Ų | 72 | 71.1 Ų | 71.1 | 39% | 0.385 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 119.1 | 170.5 | -68 | -1.7 | 0 | 0 | 0 | 109 | R381 M389 V391 | D350-R381 IonicContact OD1-CZ 2.98Å; D350-R381 IonicContact OD1-NH2 2.87Å; D350-R381 PolarHBondContact OD1-NH2 2.85Å; D350-R381 IonicContact OD2-NH2 3.98Å; D350-R381 PolarHBondContact OD2-NH2 3.17Å; D350-M389 HydrophobicContact CB-CE 4.07Å; D350-M389 HydrophobicContact CB-CG 3.61Å; D350-M389 HydrophobicContact CB-SD 3.75Å; D350-M389 VanDerWaalsContact CG-CG 3.47Å; D350-V391 WeakPolarHBondContact OD1-CG2 3.36Å |
| 351 | I | 95 | Very high | 86.6 | Confident | 21 Ų | 21 | 75.4 Ų | 75.4 | 11% | 0.108 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | -25.1 | -174.1 | 59.4 | 167.6 | 0 | 0 | 0 | 113.9 | M339 S349 F378 L390 L392 I427 | M339-I351 HydrophobicContact CE-CB 4.25Å; M339-I351 VanDerWaalsContact CE-O 3.22Å; M339-I351 WeakPolarHBondContact CE-O 3.11Å; S349-I351 PolarHBondContact O-N 2.94Å; I351-F378 HydrophobicContact CD1-CD1 3.72Å; I351-F378 HydrophobicContact CD1-CE1 3.54Å; I351-L390 HydrophobicContact CD1-CD2 3.94Å; I351-L390 HydrophobicContact CD1-CG 4.21Å; I351-L390 HydrophobicContact CG1-CB 4.38Å; I351-L390 HydrophobicContact CG1-CD2 4.17Å; I351-L390 HydrophobicContact CG1-CG 4.15Å; I351-L390 VanDerWaalsContact CG1-O 3.31Å; I351-L390 WeakPolarHBondContact CG1-O 3.43Å; I351-L390 PolarHBondContact N-O 2.99Å; I351-L392 HydrophobicContact CD1-CB 4.42Å; I351-L392 HydrophobicContact CG2-CB 4.07Å; I351-I427 HydrophobicContact CD1-CD1 4.18Å |
| 352 | F | 95.6 | Very high | 85.5 | Confident | 47 Ų | 47 | 77.6 Ų | 77.6 | 21% | 0.206 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 121.1 | -178.6 | -167.5 | -88.3 | 0 | 0 | 0 | 112 | M339 I354 L390 L423 L425 | M339-F352 HydrophobicContact CE-CD2 4.5Å; M339-F352 HydrophobicContact SD-CB 4Å; M339-F352 HydrophobicContact SD-CD2 3.66Å; M339-F352 HydrophobicContact SD-CG 4.19Å; F352-I354 HydrophobicContact CD1-CG1 3.97Å; F352-I354 HydrophobicContact CE1-CG1 4.26Å; F352-L390 HydrophobicContact CB-CB 3.99Å; F352-L390 HydrophobicContact CB-CD2 4.24Å; F352-L390 PolarHBondContact N-O 3.1Å; F352-L390 PolarHBondContact O-N 2.98Å; F352-L423 HydrophobicContact CD1-CD2 4.38Å; F352-L423 HydrophobicContact CE1-CD2 3.5Å; F352-L423 HydrophobicContact CZ-CD2 4.04Å; F352-L425 HydrophobicContact CB-CD2 4.21Å; F352-L425 HydrophobicContact CD1-CD2 4.18Å; F352-L425 HydrophobicContact CD2-CD1 4.09Å; F352-L425 HydrophobicContact CD2-CD2 4.11Å; F352-L425 HydrophobicContact CE2-CD1 3.85Å; F352-L425 HydrophobicContact CG-CD2 3.9Å; F352-L425 HydrophobicContact CZ-CD1 4.23Å |
| 353 | L | 95.4 | Very high | 84.7 | Confident | 88 Ų | 88 | 77.3 Ų | 77.3 | 46% | 0.461 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 122.5 | 175.2 | 177.8 | 65.8 | 0 | 0 | 0 | 110.2 | M389 | L353-M389 HydrophobicContact CB-CE 4.16Å; L353-M389 HydrophobicContact CB-SD 4.29Å; L353-M389 HydrophobicContact CD1-CE 4.01Å |
| 354 | I | 93.1 | Very high | 84.3 | Confident | 18 Ų | 18 | 81.6 Ų | 81.6 | 9% | 0.092 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 122.5 | 172.5 | -49 | 169.3 | 0 | 0 | 0 | 107.3 | F352 F367 I380 S387 A388 L406 | F352-I354 HydrophobicContact CD1-CG1 3.97Å; F352-I354 HydrophobicContact CE1-CG1 4.26Å; I354-F367 HydrophobicContact CG2-CD1 3.87Å; I354-F367 HydrophobicContact CG2-CE1 3.7Å; I354-I380 HydrophobicContact CD1-CD1 4.31Å; I354-S387 CarbonylContact O-C 3.56Å; I354-S387 WeakPolarHBondContact O-CA 3.28Å; I354-S387 VanDerWaalsContact O-CB 3.25Å; I354-S387 WeakPolarHBondContact O-CB 3.26Å; I354-A388 WeakPolarHBondContact CB-O 3.43Å; I354-A388 PolarHBondContact N-O 3.36Å; I354-A388 PolarHBondContact O-N 2.04Å; I354-L406 HydrophobicContact CD1-CB 4.42Å; I354-L406 HydrophobicContact CD1-CD1 3.88Å; I354-L406 HydrophobicContact CG1-CD1 4.46Å |
| 355 | Q | 89.6 | Confident | 84.1 | Confident | 137 Ų | 137 | 76.2 Ų | 76.2 | 64% | 0.64 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138 | 133.6 | 179.5 | -175 | 171.1 | -14.4 | 0 | 0 | 111.1 | Y386 | Q355-Y386 WeakPolarHBondContact CA-O 3.33Å |
| 356 | T | 83.7 | Confident | 84.2 | Confident | 22 Ų | 22 | 74.4 Ų | 74.4 | 14% | 0.135 | 43% | 0.425 | C | S | . | . | trans | -79.3 | 138.9 | 176.6 | 65.4 | 0 | 0 | 0 | 0 | 111.3 | F367 Y386 M408 | T356-F367 HydrophobicContact CG2-CE1 4.32Å; T356-F367 HydrophobicContact CG2-CZ 3.92Å; T356-Y386 PolarHBondContact N-O 3.32Å; T356-Y386 WeakPolarHBondContact OG1-CB 3.06Å; T356-Y386 PolarHBondContact OG1-O 3.06Å; T356-M408 HydrophobicContact CG2-CE 4.4Å; T356-M408 HydrophobicContact CG2-SD 3.23Å; T356-M408 WeakPolarHBondContact CG2-SD 3Å | ||
| 357 | T | 76.1 | Confident | 84.3 | Confident | 133 Ų | 133 | 70.4 Ų | 70.4 | 82% | 0.816 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -91.6 | -24.5 | -179.8 | 51.1 | 0 | 0 | 0 | 0 | 114.1 | ||
| 358 | N | 65.9 | Low | 84.6 | Confident | 148 Ų | 148 | 74.5 Ų | 74.5 | 79% | 0.791 | 40% | 0.401 | S | S | * | . | trans | -118.2 | 127.8 | 178.4 | -91.4 | -27.7 | 0 | 0 | 0 | 110.3 | ||||
| 359 | F | 64.3 | Low | 84.7 | Confident | 144 Ų | 144 | 71.9 Ų | 71.9 | 63% | 0.632 | 38% | 0.381 | S | S | * | . | trans | -126.4 | 119.5 | 177.4 | 55.3 | -85.8 | 0 | 0 | 0 | 109.5 | Y386 | F359-Y386 HydrophobicContact CB-CD1 4.05Å; F359-Y386 HydrophobicContact CB-CE1 3.73Å | ||
| 360 | L | 67.6 | Low | 84.8 | Confident | 117 Ų | 117 | 76.2 Ų | 76.2 | 61% | 0.613 | 40% | 0.395 | S | S | * | . | trans | -84 | 130.5 | 158.9 | -75.2 | 158.3 | 0 | 0 | 0 | 106.9 | G362 S363 | L360-G362 PolarHBondContact O-N 2.03Å; L360-S363 VanDerWaalsContact CB-OG 3.26Å; L360-S363 WeakPolarHBondContact CB-OG 3.18Å; L360-S363 VanDerWaalsContact O-CB 3.28Å; L360-S363 WeakPolarHBondContact O-CB 3.49Å; L360-S363 PolarHBondContact O-N 2.04Å; L360-S363 PolarHBondContact O-OG 3.33Å | ||
| 361 | T | 69.3 | Low | 84.8 | Confident | 128 Ų | 128 | 75.5 Ų | 75.5 | 79% | 0.785 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 119.7 | 178.7 | 3.9 | 0 | 0 | 0 | 0 | 110.3 | H412 | T361-H412 PolarHBondContact O-NE2 2.83Š|
| 362 | G | 70.8 | Confident | 84.7 | Confident | 47 Ų | 47 | 75.7 Ų | 75.7 | 49% | 0.485 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.6 | -0.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L360 P413 | L360-G362 PolarHBondContact O-N 2.03Å; G362-P413 VanDerWaalsContact O-CD 3.25Å; G362-P413 WeakPolarHBondContact O-CD 2.99Å |
| 363 | S | 76.4 | Confident | 84.7 | Confident | 16 Ų | 16 | 74.6 Ų | 74.6 | 11% | 0.112 | 40% | 0.399 | C | S | . | . | trans | -70.9 | 142.6 | 169.3 | -47.4 | 0 | 0 | 0 | 0 | 110.9 | L360 G411 | L360-S363 VanDerWaalsContact CB-OG 3.26Å; L360-S363 WeakPolarHBondContact CB-OG 3.18Å; L360-S363 VanDerWaalsContact O-CB 3.28Å; L360-S363 WeakPolarHBondContact O-CB 3.49Å; L360-S363 PolarHBondContact O-N 2.04Å; L360-S363 PolarHBondContact O-OG 3.33Å; S363-G411 WeakPolarHBondContact CA-O 3.47Å | ||
| 364 | F | 83 | Confident | 84.5 | Confident | 96 Ų | 96 | 77.7 Ų | 77.7 | 42% | 0.421 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 137.3 | 167.6 | 63.1 | -85.8 | 0 | 0 | 0 | 109.2 | G411 P413 | F364-G411 WeakPolarHBondContact CD1-O 3.5Å; F364-G411 PolarHBondContact N-O 3.43Å; F364-G411 PolarHBondContact O-N 2.81Å; F364-P413 HydrophobicContact CD1-CG 4.14Å; F364-P413 HydrophobicContact CE1-CG 3.97Å |
| 365 | N | 88 | Confident | 84.5 | Confident | 6 Ų | 6 | 80.2 Ų | 80.2 | 3% | 0.032 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 139.8 | 173.5 | -55.7 | -65 | 0 | 0 | 0 | 109.6 | F367 Q382 N385 M408 L409 S410 | N365-F367 HydrophobicContact CB-CE2 3.86Å; N365-F367 HydrophobicContact CB-CZ 3.87Å; N365-Q382 PolarHBondContact O-NE2 3.45Å; N365-N385 VanDerWaalsContact CB-O 3.25Å; N365-N385 WeakPolarHBondContact CB-O 3.02Å; N365-N385 PolarHBondContact N-O 3.01Å; N365-N385 PolarHBondContact ND2-O 3.45Å; N365-M408 HydrophobicContact CB-CG 4.05Å; N365-M408 HydrophobicContact CB-SD 4.27Å; N365-L409 WeakPolarHBondContact CA-O 3.47Å; N365-S410 WeakPolarHBondContact OD1-CA 3.23Å; N365-S410 VanDerWaalsContact OD1-CB 3.3Å; N365-S410 WeakPolarHBondContact OD1-CB 3.45Å; N365-S410 PolarHBondContact OD1-OG 3.04Å |
| 366 | T | 90.8 | Very high | 84.7 | Confident | 62 Ų | 62 | 83.6 Ų | 83.6 | 38% | 0.38 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 133.7 | 169.3 | -55.2 | 0 | 0 | 0 | 0 | 108.4 | M408 L409 | T366-M408 WeakPolarHBondContact O-CA 3.46Å; T366-L409 PolarHBondContact N-O 3.14Å; T366-L409 PolarHBondContact O-N 2.74Å |
| 367 | F | 94 | Very high | 85.2 | Confident | 17 Ų | 17 | 82.6 Ų | 82.6 | 8% | 0.075 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 134.1 | -177.2 | -58.2 | -89.9 | 0 | 0 | 0 | 109.8 | I354 T356 N365 I380 A388 E407 M408 | I354-F367 HydrophobicContact CG2-CD1 3.87Å; I354-F367 HydrophobicContact CG2-CE1 3.7Å; T356-F367 HydrophobicContact CG2-CE1 4.32Å; T356-F367 HydrophobicContact CG2-CZ 3.92Å; N365-F367 HydrophobicContact CB-CE2 3.86Å; N365-F367 HydrophobicContact CB-CZ 3.87Å; F367-I380 HydrophobicContact CB-CD1 4.34Å; F367-I380 HydrophobicContact CB-CG2 3.84Å; F367-A388 HydrophobicContact CB-CB 3.82Å; F367-A388 HydrophobicContact CD1-CB 4.34Å; F367-A388 HydrophobicContact CD2-CB 3.54Å; F367-A388 HydrophobicContact CE2-CB 4.14Å; F367-A388 HydrophobicContact CG-CB 3.64Å; F367-E407 WeakPolarHBondContact CA-O 3.33Å; F367-M408 HydrophobicContact CD1-CB 4.02Å; F367-M408 HydrophobicContact CD1-CG 4.03Å; F367-M408 HydrophobicContact CE1-CB 4.01Å; F367-M408 HydrophobicContact CE1-CG 3.65Å; F367-M408 HydrophobicContact CE1-SD 3.8Å; F367-M408 HydrophobicContact CZ-CG 4.24Å; F367-M408 HydrophobicContact CZ-SD 4.2Å |
| 368 | R | 94.8 | Very high | 86.2 | Confident | 126 Ų | 126 | 76.7 Ų | 76.7 | 48% | 0.475 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 154.6 | 176.6 | 66.7 | 180 | -177 | 180 | 0.1 | 111.9 | R370 E407 | R368-R370 PolarHBondContact O-N 2.91Å; R368-E407 HydrophobicContact CG-CB 4.14Å; R368-E407 IonicContact CZ-OE2 3.99Å; R368-E407 PolarHBondContact N-O 2.8Å; R368-E407 IonicContact NE-OE2 2.91Å; R368-E407 PolarHBondContact NE-OE2 2.74Å; R368-E407 IonicContact NH2-OE1 2.67Å; R368-E407 IonicContact NH2-OE2 2.68Å; R368-E407 PolarHBondContact NH2-OE2 2.99Å; R368-E407 PolarHBondContact O-N 3.43Å |
| 369 | I | 96.4 | Very high | 87.7 | Confident | 43 Ų | 43 | 74 Ų | 74 | 22% | 0.221 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 115.5 | 167.1 | -51.6 | 179.1 | 0 | 0 | 0 | 106.7 | D373 F378 I380 L390 L406 | I369-D373 HydrophobicContact CD1-CB 4.38Å; I369-D373 HydrophobicContact CG2-CB 3.95Å; I369-F378 HydrophobicContact CD1-CB 3.89Å; I369-I380 HydrophobicContact CD1-CG1 4.37Å; I369-I380 HydrophobicContact CG1-CD1 3.8Å; I369-I380 HydrophobicContact CG1-CG1 3.77Å; I369-L390 HydrophobicContact CD1-CD1 4.19Å; I369-L406 HydrophobicContact CG1-CD2 3.99Å; I369-L406 HydrophobicContact CG2-CD2 4.42Å |
| 370 | R | 94.9 | Very high | 89.2 | Confident | 113 Ų | 113 | 68.8 Ų | 68.8 | 43% | 0.426 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | -40.2 | -180 | -179.4 | -179.1 | 175.2 | -165 | 0.9 | 111.8 | R368 D405 E407 | R368-R370 PolarHBondContact O-N 2.91Å; R370-D405 WeakPolarHBondContact CA-O 3.5Å; R370-D405 HydrophobicContact CB-CB 4.28Å; R370-D405 VanDerWaalsContact CB-O 3.31Å; R370-D405 WeakPolarHBondContact CB-O 3.44Å; R370-D405 PolarHBondContact N-O 3.12Å; R370-E407 HydrophobicContact CB-CB 3.94Å |
| 371 | S | 95.4 | Very high | 90.6 | Very high | 56 Ų | 56 | 68.6 Ų | 68.6 | 39% | 0.392 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162 | 167 | 177.1 | 63.7 | 0 | 0 | 0 | 0 | 111.5 | D405 | S371-D405 PolarHBondContact O-N 3.41Å |
| 372 | G | 93.6 | Very high | 91.7 | Very high | 25 Ų | 25 | 66.7 Ų | 66.7 | 26% | 0.258 | 32% | 0.324 | S | S | . | . | S | Bend | trans | 99.8 | -4.5 | 175 | 0 | 0 | 0 | 0 | 0 | 115.7 | T403 L404 | G372-T403 VanDerWaalsContact CA-O 3.3Å; G372-T403 WeakPolarHBondContact CA-O 3.31Å; G372-L404 WeakPolarHBondContact O-CD2 3.4Å |
| 373 | D | 94.8 | Very high | 92.8 | Very high | 24 Ų | 24 | 68.4 Ų | 68.4 | 13% | 0.128 | 33% | 0.325 | C | S | . | . | trans | -117.9 | 55.6 | 179.8 | -172.8 | 26.9 | 0 | 0 | 0 | 112.2 | I369 N375 R376 D377 F378 L404 | I369-D373 HydrophobicContact CD1-CB 4.38Å; I369-D373 HydrophobicContact CG2-CB 3.95Å; D373-N375 PolarHBondContact O-N 3.34Å; D373-N375 VanDerWaalsContact O-N 3.15Å; D373-R376 PolarHBondContact O-N 2.88Å; D373-R376 WeakPolarHBondContact OD1-CA 3.25Å; D373-R376 PolarHBondContact OD1-N 3.11Å; D373-R376 VanDerWaalsContact OD1-N 3.13Å; D373-R376 WeakPolarHBondContact OD2-CA 3.4Å; D373-D377 PolarHBondContact OD1-N 3.08Å; D373-F378 HydrophobicContact CB-CD2 4.46Å; D373-F378 PolarHBondContact OD2-N 3.03Å; D373-F378 VanDerWaalsContact OD2-N 3.17Å; D373-L404 HydrophobicContact CB-CD2 4.01Å | ||
| 374 | D | 92.5 | Very high | 93.4 | Very high | 153 Ų | 153 | 71.2 Ų | 71.2 | 82% | 0.818 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -28.6 | -178 | -59.1 | -39.2 | 0 | 0 | 0 | 112.3 | ||
| 375 | N | 92.1 | Very high | 93.6 | Very high | 71 Ų | 71 | 70.6 Ų | 70.6 | 38% | 0.38 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -7.7 | -175.2 | -85.9 | -2.7 | 0 | 0 | 0 | 114.4 | D373 D377 R394 R400 | D373-N375 PolarHBondContact O-N 3.34Å; D373-N375 VanDerWaalsContact O-N 3.15Å; N375-D377 VanDerWaalsContact CB-OD2 3.3Å; N375-D377 WeakPolarHBondContact CB-OD2 3.48Å; N375-D377 PolarHBondContact O-N 2.04Å; N375-R394 PolarHBondContact O-NH2 3.46Å; N375-R400 PolarHBondContact ND2-NH1 3.06Å; N375-R400 PolarHBondContact ND2-NH2 3.27Å |
| 376 | R | 94.4 | Very high | 93.6 | Very high | 208 Ų | 208 | 73.8 Ų | 73.8 | 79% | 0.785 | 35% | 0.352 | S | S | * | . | trans | 56.3 | 40.9 | -172.3 | -53.8 | -177.5 | -178.4 | -176.1 | 0 | 112.5 | D373 | D373-R376 PolarHBondContact O-N 2.88Å; D373-R376 WeakPolarHBondContact OD1-CA 3.25Å; D373-R376 PolarHBondContact OD1-N 3.11Å; D373-R376 VanDerWaalsContact OD1-N 3.13Å; D373-R376 WeakPolarHBondContact OD2-CA 3.4Å | ||
| 377 | D | 94.9 | Very high | 93.7 | Very high | 2 Ų | 2 | 71.4 Ų | 71.4 | 1% | 0.011 | 34% | 0.338 | C | S | . | . | trans | -73.6 | -18.8 | 175.1 | -66.1 | -24.4 | 0 | 0 | 0 | 110.9 | D373 N375 A393 R394 V396 R400 Y402 | D373-D377 PolarHBondContact OD1-N 3.08Å; N375-D377 VanDerWaalsContact CB-OD2 3.3Å; N375-D377 WeakPolarHBondContact CB-OD2 3.48Å; N375-D377 PolarHBondContact O-N 2.04Å; D377-A393 WeakPolarHBondContact O-CB 3.24Å; D377-A393 PolarHBondContact O-N 3.2Å; D377-R394 IonicContact OD1-CZ 3.72Å; D377-R394 IonicContact OD1-NE 3.58Å; D377-R394 PolarHBondContact OD1-NE 2.89Å; D377-R394 IonicContact OD1-NH2 3.88Å; D377-R394 PolarHBondContact OD1-NH2 2.6Å; D377-V396 HydrophobicContact CB-CG1 4.03Å; D377-R400 IonicContact OD2-NH1 3.85Å; D377-Y402 HydrophobicContact CB-CE1 4.31Å; D377-Y402 VanDerWaalsContact OD2-CE1 3.22Å; D377-Y402 WeakPolarHBondContact OD2-CE1 3.42Å; D377-Y402 VanDerWaalsContact OD2-CZ 3.29Å; D377-Y402 PolarHBondContact OD2-OH 3.04Å | ||
| 378 | F | 96.7 | Very high | 93.7 | Very high | 8 Ų | 8 | 70.6 Ų | 70.6 | 4% | 0.035 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 159.5 | -175.8 | -51.7 | -84.7 | 0 | 0 | 0 | 112.2 | I351 I369 D373 L390 V391 L392 Y402 L404 I427 | I351-F378 HydrophobicContact CD1-CD1 3.72Å; I351-F378 HydrophobicContact CD1-CE1 3.54Å; I369-F378 HydrophobicContact CD1-CB 3.89Å; D373-F378 HydrophobicContact CB-CD2 4.46Å; D373-F378 PolarHBondContact OD2-N 3.03Å; D373-F378 VanDerWaalsContact OD2-N 3.17Å; F378-L390 HydrophobicContact CB-CD1 3.96Å; F378-L390 HydrophobicContact CD1-CG 4.48Å; F378-V391 CarbonylContact C-O 3.58Å; F378-V391 WeakPolarHBondContact CA-O 3.04Å; F378-L392 HydrophobicContact CD1-CD1 3.94Å; F378-L392 HydrophobicContact CE1-CD1 3.49Å; F378-L392 VanDerWaalsContact CE1-CD1 3.49Å; F378-L392 HydrophobicContact CZ-CD1 4.12Å; F378-Y402 AromaticContact CE2-CD1 3.62Å; F378-Y402 HydrophobicContact CE2-CD1 3.62Å; F378-Y402 HydrophobicContact CE2-CD2 4.19Å; F378-Y402 AromaticContact CE2-CE1 3.76Å; F378-Y402 HydrophobicContact CE2-CE1 3.76Å; F378-Y402 HydrophobicContact CE2-CE2 4.35Å; F378-Y402 AromaticContact CE2-CG 3.82Å; F378-Y402 HydrophobicContact CE2-CG 3.82Å; F378-Y402 HydrophobicContact CZ-CD1 4.31Å; F378-Y402 HydrophobicContact CZ-CD2 4.06Å; F378-Y402 HydrophobicContact CZ-CE1 4.43Å; F378-Y402 HydrophobicContact CZ-CE2 4.22Å; F378-Y402 HydrophobicContact CZ-CG 4.1Å; F378-L404 HydrophobicContact CB-CD1 4.43Å; F378-L404 HydrophobicContact CD1-CD1 4.42Å; F378-L404 HydrophobicContact CD2-CD1 3.79Å; F378-L404 HydrophobicContact CD2-CD2 4.23Å; F378-L404 HydrophobicContact CE2-CD1 4.14Å; F378-L404 HydrophobicContact CE2-CD2 4.45Å; F378-L404 HydrophobicContact CG-CD1 3.95Å; F378-I427 HydrophobicContact CE1-CD1 4Å; F378-I427 HydrophobicContact CZ-CD1 4.09Å |
| 379 | Y | 96.8 | Very high | 93.8 | Very high | 93 Ų | 93 | 66.1 Ų | 66.1 | 37% | 0.365 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 158.8 | 163.8 | 67.9 | -84.1 | 0 | 0 | 0 | 110.4 | R381 V391 A393 | Y379-R381 HydrophobicContact CE2-CB 4.18Å; Y379-V391 HydrophobicContact CD1-CB 4.09Å; Y379-V391 HydrophobicContact CD1-CG1 4.43Å; Y379-V391 HydrophobicContact CD2-CB 4.31Å; Y379-V391 HydrophobicContact CE1-CB 3.67Å; Y379-V391 HydrophobicContact CE1-CG1 3.58Å; Y379-V391 HydrophobicContact CE2-CB 3.91Å; Y379-V391 HydrophobicContact CE2-CG1 4.31Å; Y379-V391 HydrophobicContact CE2-CG2 4.03Å; Y379-V391 HydrophobicContact CG-CB 4.41Å; Y379-V391 PolarHBondContact N-O 2.03Å; Y379-V391 PolarHBondContact O-N 3.47Å; Y379-V391 WeakPolarHBondContact OH-CG1 3.24Å; Y379-A393 HydrophobicContact CD1-CB 3.86Å; Y379-A393 HydrophobicContact CE1-CB 4.24Å |
| 380 | I | 96.8 | Very high | 93.8 | Very high | 33 Ų | 33 | 64 Ų | 64 | 17% | 0.169 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 125.5 | 175 | -66.5 | -179.9 | 0 | 0 | 0 | 109 | I354 F367 I369 A388 M389 L390 L406 | I354-I380 HydrophobicContact CD1-CD1 4.31Å; F367-I380 HydrophobicContact CB-CD1 4.34Å; F367-I380 HydrophobicContact CB-CG2 3.84Å; I369-I380 HydrophobicContact CD1-CG1 4.37Å; I369-I380 HydrophobicContact CG1-CD1 3.8Å; I369-I380 HydrophobicContact CG1-CG1 3.77Å; I380-A388 HydrophobicContact CG2-CB 3.65Å; I380-M389 WeakPolarHBondContact CA-O 3.05Å; I380-L390 HydrophobicContact CG1-CD1 4.08Å; I380-L406 HydrophobicContact CD1-CD2 4.21Å |
| 381 | R | 96.2 | Very high | 93.9 | Very high | 113 Ų | 113 | 58.7 Ų | 58.7 | 43% | 0.426 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 112.5 | 169.5 | -174 | 174.9 | 64.8 | -164.1 | -5.6 | 108.8 | D350 Y379 T383 A388 M389 V391 | D350-R381 IonicContact OD1-CZ 2.98Å; D350-R381 IonicContact OD1-NH2 2.87Å; D350-R381 PolarHBondContact OD1-NH2 2.85Å; D350-R381 IonicContact OD2-NH2 3.98Å; D350-R381 PolarHBondContact OD2-NH2 3.17Å; Y379-R381 HydrophobicContact CE2-CB 4.18Å; R381-T383 PolarHBondContact O-N 3.44Å; R381-A388 WeakPolarHBondContact O-CA 3.48Å; R381-M389 PolarHBondContact N-O 3.13Å; R381-M389 PolarHBondContact O-N 3.25Å; R381-V391 HydrophobicContact CB-CG2 4.03Å |
| 382 | Q | 93.3 | Very high | 94 | Very high | 89 Ų | 89 | 56 Ų | 56 | 42% | 0.416 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 126.6 | 176.2 | -174.9 | 155.4 | 5.5 | 0 | 0 | 110.3 | N365 N384 | N365-Q382 PolarHBondContact O-NE2 3.45Å; Q382-N384 WeakPolarHBondContact CG-O 3.46Å; Q382-N384 PolarHBondContact NE2-O 3.01Å |
| 383 | T | 92.4 | Very high | 94.1 | Very high | 83 Ų | 83 | 56.9 Ų | 56.9 | 51% | 0.509 | 28% | 0.275 | S | S | . | . | trans | -96.4 | -44.4 | -177.8 | -53.7 | 0 | 0 | 0 | 0 | 110.6 | R381 S387 | R381-T383 PolarHBondContact O-N 3.44Å; T383-S387 PolarHBondContact N-O 3.16Å | ||
| 384 | N | 89.3 | Confident | 94 | Very high | 74 Ų | 74 | 61.7 Ų | 61.7 | 40% | 0.396 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -156.3 | -166.4 | 173.3 | 60.4 | 51.6 | 0 | 0 | 0 | 110.1 | Q382 Y386 S387 | Q382-N384 WeakPolarHBondContact CG-O 3.46Å; Q382-N384 PolarHBondContact NE2-O 3.01Å; N384-Y386 PolarHBondContact O-N 3.38Å; N384-Y386 WeakPolarHBondContact OD1-CA 3.34Å; N384-Y386 PolarHBondContact OD1-N 3.05Å; N384-S387 PolarHBondContact N-O 3.04Å; N384-S387 VanDerWaalsContact N-O 3.1Å; N384-S387 PolarHBondContact ND2-OG 2.99Å; N384-S387 PolarHBondContact OD1-N 3.05Å; N384-S387 PolarHBondContact OD1-OG 3.43Å |
| 385 | N | 87.6 | Confident | 94 | Very high | 84 Ų | 84 | 57 Ų | 57 | 45% | 0.449 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -70.3 | -9.1 | -179.1 | -68.4 | -5.9 | 0 | 0 | 0 | 114.3 | N365 | N365-N385 VanDerWaalsContact CB-O 3.25Å; N365-N385 WeakPolarHBondContact CB-O 3.02Å; N365-N385 PolarHBondContact N-O 3.01Å; N365-N385 PolarHBondContact ND2-O 3.45Å |
| 386 | Y | 87.9 | Confident | 94.1 | Very high | 73 Ų | 73 | 53.9 Ų | 53.9 | 29% | 0.286 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -129.7 | -7.5 | -171.6 | -51.7 | -68.2 | 0 | 0 | 0 | 113 | Q355 T356 F359 N384 | Q355-Y386 WeakPolarHBondContact CA-O 3.33Å; T356-Y386 PolarHBondContact N-O 3.32Å; T356-Y386 WeakPolarHBondContact OG1-CB 3.06Å; T356-Y386 PolarHBondContact OG1-O 3.06Å; F359-Y386 HydrophobicContact CB-CD1 4.05Å; F359-Y386 HydrophobicContact CB-CE1 3.73Å; N384-Y386 PolarHBondContact O-N 3.38Å; N384-Y386 WeakPolarHBondContact OD1-CA 3.34Å; N384-Y386 PolarHBondContact OD1-N 3.05Å |
| 387 | S | 91.9 | Very high | 94 | Very high | 12 Ų | 12 | 47.4 Ų | 47.4 | 8% | 0.084 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 151 | 178.1 | 69.4 | 0 | 0 | 0 | 0 | 113.8 | I354 T383 N384 | I354-S387 CarbonylContact O-C 3.56Å; I354-S387 WeakPolarHBondContact O-CA 3.28Å; I354-S387 VanDerWaalsContact O-CB 3.25Å; I354-S387 WeakPolarHBondContact O-CB 3.26Å; T383-S387 PolarHBondContact N-O 3.16Å; N384-S387 PolarHBondContact N-O 3.04Å; N384-S387 VanDerWaalsContact N-O 3.1Å; N384-S387 PolarHBondContact ND2-OG 2.99Å; N384-S387 PolarHBondContact OD1-N 3.05Å; N384-S387 PolarHBondContact OD1-OG 3.43Å |
| 388 | A | 95.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 155.4 | 174 | 0 | 0 | 0 | 0 | 0 | 110 | I354 F367 I380 R381 | I354-A388 WeakPolarHBondContact CB-O 3.43Å; I354-A388 PolarHBondContact N-O 3.36Å; I354-A388 PolarHBondContact O-N 2.04Å; F367-A388 HydrophobicContact CB-CB 3.82Å; F367-A388 HydrophobicContact CD1-CB 4.34Å; F367-A388 HydrophobicContact CD2-CB 3.54Å; F367-A388 HydrophobicContact CE2-CB 4.14Å; F367-A388 HydrophobicContact CG-CB 3.64Å; I380-A388 HydrophobicContact CG2-CB 3.65Å; R381-A388 WeakPolarHBondContact O-CA 3.48Å |
| 389 | M | 96.8 | Very high | 93.5 | Very high | 31 Ų | 31 | 52.6 Ų | 52.6 | 15% | 0.153 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 128.7 | 176.3 | -169.7 | 62.9 | 72.9 | 0 | 0 | 109.6 | D350 L353 I380 R381 V391 | D350-M389 HydrophobicContact CB-CE 4.07Å; D350-M389 HydrophobicContact CB-CG 3.61Å; D350-M389 HydrophobicContact CB-SD 3.75Å; D350-M389 VanDerWaalsContact CG-CG 3.47Å; L353-M389 HydrophobicContact CB-CE 4.16Å; L353-M389 HydrophobicContact CB-SD 4.29Å; L353-M389 HydrophobicContact CD1-CE 4.01Å; I380-M389 WeakPolarHBondContact CA-O 3.05Å; R381-M389 PolarHBondContact N-O 3.13Å; R381-M389 PolarHBondContact O-N 3.25Å; M389-V391 HydrophobicContact CB-CG2 4.21Å; M389-V391 HydrophobicContact CG-CG2 3.94Å |
| 390 | L | 97.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 122.4 | 161.6 | -174.4 | 69.8 | 0 | 0 | 0 | 108 | I351 F352 I369 F378 I380 L404 L406 L425 I427 | I351-L390 HydrophobicContact CD1-CD2 3.94Å; I351-L390 HydrophobicContact CD1-CG 4.21Å; I351-L390 HydrophobicContact CG1-CB 4.38Å; I351-L390 HydrophobicContact CG1-CD2 4.17Å; I351-L390 HydrophobicContact CG1-CG 4.15Å; I351-L390 VanDerWaalsContact CG1-O 3.31Å; I351-L390 WeakPolarHBondContact CG1-O 3.43Å; I351-L390 PolarHBondContact N-O 2.99Å; F352-L390 HydrophobicContact CB-CB 3.99Å; F352-L390 HydrophobicContact CB-CD2 4.24Å; F352-L390 PolarHBondContact N-O 3.1Å; F352-L390 PolarHBondContact O-N 2.98Å; I369-L390 HydrophobicContact CD1-CD1 4.19Å; F378-L390 HydrophobicContact CB-CD1 3.96Å; F378-L390 HydrophobicContact CD1-CG 4.48Å; I380-L390 HydrophobicContact CG1-CD1 4.08Å; L390-L404 HydrophobicContact CD1-CD1 4.31Å; L390-L404 HydrophobicContact CD2-CD1 3.93Å; L390-L406 HydrophobicContact CD1-CD2 4.1Å; L390-L406 HydrophobicContact CD2-CD1 4.29Å; L390-L425 HydrophobicContact CD2-CD2 3.69Å; L390-I427 HydrophobicContact CD2-CD1 3.94Å |
| 391 | V | 97.1 | Very high | 93 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 131.2 | -176.5 | -170.7 | 0 | 0 | 0 | 0 | 108.8 | P348 S349 D350 F378 Y379 R381 M389 A393 | P348-V391 HydrophobicContact CB-CG1 4.16Å; S349-V391 WeakPolarHBondContact O-CA 3.41Å; S349-V391 WeakPolarHBondContact O-CG1 3.35Å; D350-V391 WeakPolarHBondContact OD1-CG2 3.36Å; F378-V391 CarbonylContact C-O 3.58Å; F378-V391 WeakPolarHBondContact CA-O 3.04Å; Y379-V391 HydrophobicContact CD1-CB 4.09Å; Y379-V391 HydrophobicContact CD1-CG1 4.43Å; Y379-V391 HydrophobicContact CD2-CB 4.31Å; Y379-V391 HydrophobicContact CE1-CB 3.67Å; Y379-V391 HydrophobicContact CE1-CG1 3.58Å; Y379-V391 HydrophobicContact CE2-CB 3.91Å; Y379-V391 HydrophobicContact CE2-CG1 4.31Å; Y379-V391 HydrophobicContact CE2-CG2 4.03Å; Y379-V391 HydrophobicContact CG-CB 4.41Å; Y379-V391 PolarHBondContact N-O 2.03Å; Y379-V391 PolarHBondContact O-N 3.47Å; Y379-V391 WeakPolarHBondContact OH-CG1 3.24Å; R381-V391 HydrophobicContact CB-CG2 4.03Å; M389-V391 HydrophobicContact CB-CG2 4.21Å; M389-V391 HydrophobicContact CG-CG2 3.94Å; V391-A393 PolarHBondContact O-N 3.36Å |
| 392 | L | 96.3 | Very high | 93 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 118.3 | 169.2 | -175.1 | 68.8 | 0 | 0 | 0 | 108.4 | R345 A347 P348 S349 I351 F378 R394 V396 | R345-L392 HydrophobicContact CB-CD2 4.25Å; A347-L392 HydrophobicContact CB-CD2 4.33Å; A347-L392 HydrophobicContact CB-CG 4.32Å; P348-L392 WeakPolarHBondContact CA-O 3.46Å; S349-L392 PolarHBondContact N-O 3.2Å; S349-L392 PolarHBondContact O-N 3.06Å; I351-L392 HydrophobicContact CD1-CB 4.42Å; I351-L392 HydrophobicContact CG2-CB 4.07Å; F378-L392 HydrophobicContact CD1-CD1 3.94Å; F378-L392 HydrophobicContact CE1-CD1 3.49Å; F378-L392 VanDerWaalsContact CE1-CD1 3.49Å; F378-L392 HydrophobicContact CZ-CD1 4.12Å; L392-R394 VanDerWaalsContact CD1-O 3.29Å; L392-R394 WeakPolarHBondContact CD1-O 3Å; L392-R394 WeakPolarHBondContact CG-O 3.32Å; L392-V396 HydrophobicContact CD1-CG1 4Å; L392-V396 HydrophobicContact CD1-CG2 3.97Å; L392-V396 HydrophobicContact CD2-CG2 4.45Å |
| 393 | A | 95.4 | Very high | 93 | Very high | 43 Ų | 43 | 50.2 Ų | 50.2 | 36% | 0.355 | 28% | 0.277 | S | S | . | . | trans | -78.4 | -35.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D377 Y379 V391 | D377-A393 WeakPolarHBondContact O-CB 3.24Å; D377-A393 PolarHBondContact O-N 3.2Å; Y379-A393 HydrophobicContact CD1-CB 3.86Å; Y379-A393 HydrophobicContact CE1-CB 4.24Å; V391-A393 PolarHBondContact O-N 3.36Å | ||
| 394 | R | 93.3 | Very high | 93.2 | Very high | 125 Ų | 125 | 46.2 Ų | 46.2 | 47% | 0.472 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -145.3 | 156 | 179.7 | 61.5 | 176.7 | 176.7 | -178.4 | -5.2 | 110.7 | A347 N375 D377 L392 V396 | A347-R394 VanDerWaalsContact CB-CA 3.42Å; N375-R394 PolarHBondContact O-NH2 3.46Å; D377-R394 IonicContact OD1-CZ 3.72Å; D377-R394 IonicContact OD1-NE 3.58Å; D377-R394 PolarHBondContact OD1-NE 2.89Å; D377-R394 IonicContact OD1-NH2 3.88Å; D377-R394 PolarHBondContact OD1-NH2 2.6Å; L392-R394 VanDerWaalsContact CD1-O 3.29Å; L392-R394 WeakPolarHBondContact CD1-O 3Å; L392-R394 WeakPolarHBondContact CG-O 3.32Å; R394-V396 PolarHBondContact O-N 2.99Å |
| 395 | A | 93.1 | Very high | 93.5 | Very high | 55 Ų | 55 | 43.3 Ų | 43.3 | 46% | 0.455 | 24% | 0.238 | S | C | . | . | trans | -57.9 | 134.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 396 | V | 93.1 | Very high | 93.9 | Very high | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.03 | 22% | 0.218 | C | C | . | . | trans | -114.4 | 130.4 | 177.7 | -70.9 | 0 | 0 | 0 | 0 | 109 | I341 E344 D377 L392 R394 Y402 V429 | I341-V396 HydrophobicContact CD1-CG2 3.89Å; E344-V396 PolarHBondContact N-O 3.44Å; D377-V396 HydrophobicContact CB-CG1 4.03Å; L392-V396 HydrophobicContact CD1-CG1 4Å; L392-V396 HydrophobicContact CD1-CG2 3.97Å; L392-V396 HydrophobicContact CD2-CG2 4.45Å; R394-V396 PolarHBondContact O-N 2.99Å; V396-Y402 HydrophobicContact CG1-CE2 4.44Å; V396-Y402 WeakPolarHBondContact CG1-OH 3.39Å; V396-V429 HydrophobicContact CG2-CG1 4.05Å; V396-V429 HydrophobicContact CG2-CG2 3.83Å | ||
| 397 | S | 92.7 | Very high | 94.3 | Very high | 72 Ų | 72 | 36.8 Ų | 36.8 | 50% | 0.503 | 21% | 0.207 | S | C | . | . | trans | -91.9 | 130.6 | 176.7 | -51.5 | 0 | 0 | 0 | 0 | 109.7 | S343 | S343-S397 WeakPolarHBondContact OG-CA 3.38Š| ||
| 398 | G | 89.3 | Confident | 94.3 | Very high | 20 Ų | 20 | 38 Ų | 38 | 21% | 0.206 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -90.4 | 180 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S343 G430 | S343-G398 PolarHBondContact OG-N 2.83Å; G398-G430 WeakPolarHBondContact CA-O 3.07Å |
| 399 | P | 91.9 | Very high | 94 | Very high | 98 Ų | 98 | 40.9 Ų | 40.9 | 64% | 0.636 | 23% | 0.227 | S | C | * | . | S | Bend | cis | -73.9 | 127.1 | -3.7 | 29.7 | -32.8 | 0 | 0 | 0 | 111.1 | V429 P431 | P399-V429 WeakPolarHBondContact CA-O 3.05Å; P399-P431 HydrophobicContact CB-CB 4.29Å; P399-P431 HydrophobicContact CG-CB 4.45Å |
| 400 | R | 91.4 | Very high | 93.6 | Very high | 114 Ų | 114 | 40.6 Ų | 40.6 | 43% | 0.43 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 151.7 | 179.8 | -170.3 | 170.6 | -180 | -178.6 | -0.1 | 111 | N375 D377 Y402 V429 | N375-R400 PolarHBondContact ND2-NH1 3.06Å; N375-R400 PolarHBondContact ND2-NH2 3.27Å; D377-R400 IonicContact OD2-NH1 3.85Å; R400-Y402 HydrophobicContact CG-CE2 4.04Å; R400-Y402 PolarHBondContact NH1-OH 2.66Å; R400-V429 HydrophobicContact CB-CB 4.38Å; R400-V429 PolarHBondContact N-O 2.93Å; R400-V429 PolarHBondContact O-N 3.34Å |
| 401 | E | 92.4 | Very high | 92.9 | Very high | 87 Ų | 87 | 41 Ų | 41 | 41% | 0.407 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 139.3 | 174.5 | -174.3 | 177.3 | 171.5 | 0 | 0 | 110.3 | I427 F428 | E401-I427 WeakPolarHBondContact CA-O 3.38Å; E401-F428 HydrophobicContact CB-CD1 4.24Å; E401-F428 HydrophobicContact CB-CE1 4.44Å; E401-F428 HydrophobicContact CG-CD1 3.83Å; E401-F428 HydrophobicContact CG-CE1 3.68Å; E401-F428 HydrophobicContact CG-CZ 4.45Å; E401-F428 WeakPolarHBondContact OE1-CE1 2.97Å; E401-F428 WeakPolarHBondContact OE2-CE1 3.44Å |
| 402 | Y | 94.4 | Very high | 92.1 | Very high | 11 Ų | 11 | 42.5 Ų | 42.5 | 4% | 0.043 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 137.9 | 170.7 | -64.9 | -93.6 | 0 | 0 | 0 | 109.2 | D377 F378 V396 R400 S426 I427 V429 | D377-Y402 HydrophobicContact CB-CE1 4.31Å; D377-Y402 VanDerWaalsContact OD2-CE1 3.22Å; D377-Y402 WeakPolarHBondContact OD2-CE1 3.42Å; D377-Y402 VanDerWaalsContact OD2-CZ 3.29Å; D377-Y402 PolarHBondContact OD2-OH 3.04Å; F378-Y402 AromaticContact CE2-CD1 3.62Å; F378-Y402 HydrophobicContact CE2-CD1 3.62Å; F378-Y402 HydrophobicContact CE2-CD2 4.19Å; F378-Y402 AromaticContact CE2-CE1 3.76Å; F378-Y402 HydrophobicContact CE2-CE1 3.76Å; F378-Y402 HydrophobicContact CE2-CE2 4.35Å; F378-Y402 AromaticContact CE2-CG 3.82Å; F378-Y402 HydrophobicContact CE2-CG 3.82Å; F378-Y402 HydrophobicContact CZ-CD1 4.31Å; F378-Y402 HydrophobicContact CZ-CD2 4.06Å; F378-Y402 HydrophobicContact CZ-CE1 4.43Å; F378-Y402 HydrophobicContact CZ-CE2 4.22Å; F378-Y402 HydrophobicContact CZ-CG 4.1Å; V396-Y402 HydrophobicContact CG1-CE2 4.44Å; V396-Y402 WeakPolarHBondContact CG1-OH 3.39Å; R400-Y402 HydrophobicContact CG-CE2 4.04Å; R400-Y402 PolarHBondContact NH1-OH 2.66Å; Y402-S426 CarbonylContact O-C 3.17Å; Y402-S426 VanDerWaalsContact O-CA 3.24Å; Y402-S426 WeakPolarHBondContact O-CA 3.39Å; Y402-I427 PolarHBondContact N-O 2.93Å; Y402-I427 PolarHBondContact O-N 3.32Å; Y402-V429 HydrophobicContact CD2-CG2 4.02Å; Y402-V429 HydrophobicContact CE2-CG2 3.77Å |
| 403 | T | 95 | Very high | 90.9 | Very high | 66 Ų | 66 | 46.8 Ų | 46.8 | 41% | 0.405 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 98.1 | 169.1 | -51.2 | 0 | 0 | 0 | 0 | 108.3 | G372 R424 | G372-T403 VanDerWaalsContact CA-O 3.3Å; G372-T403 WeakPolarHBondContact CA-O 3.31Å; T403-R424 HydrophobicContact CG2-CG 3.79Å |
| 404 | L | 96.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 127 | -178.1 | -55.3 | -174.8 | 0 | 0 | 0 | 110.6 | G372 D373 F378 L390 L406 R424 L425 I427 | G372-L404 WeakPolarHBondContact O-CD2 3.4Å; D373-L404 HydrophobicContact CB-CD2 4.01Å; F378-L404 HydrophobicContact CB-CD1 4.43Å; F378-L404 HydrophobicContact CD1-CD1 4.42Å; F378-L404 HydrophobicContact CD2-CD1 3.79Å; F378-L404 HydrophobicContact CD2-CD2 4.23Å; F378-L404 HydrophobicContact CE2-CD1 4.14Å; F378-L404 HydrophobicContact CE2-CD2 4.45Å; F378-L404 HydrophobicContact CG-CD1 3.95Å; L390-L404 HydrophobicContact CD1-CD1 4.31Å; L390-L404 HydrophobicContact CD2-CD1 3.93Å; L404-L406 HydrophobicContact CB-CD2 3.88Å; L404-L406 HydrophobicContact CB-CG 4.29Å; L404-L406 HydrophobicContact CD1-CD2 4.36Å; L404-R424 CarbonylContact O-C 3.5Å; L404-R424 WeakPolarHBondContact O-CA 3.48Å; L404-L425 PolarHBondContact N-O 3.26Å; L404-L425 PolarHBondContact O-N 3.46Å; L404-I427 HydrophobicContact CD1-CD1 3.73Å; L404-I427 HydrophobicContact CG-CD1 4.36Å |
| 405 | D | 95.6 | Very high | 88.7 | Confident | 13 Ų | 13 | 51.1 Ų | 51.1 | 7% | 0.07 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 101.6 | 167.4 | -79.7 | -6.9 | 0 | 0 | 0 | 108.7 | R370 S371 V422 R424 | R370-D405 WeakPolarHBondContact CA-O 3.5Å; R370-D405 HydrophobicContact CB-CB 4.28Å; R370-D405 VanDerWaalsContact CB-O 3.31Å; R370-D405 WeakPolarHBondContact CB-O 3.44Å; R370-D405 PolarHBondContact N-O 3.12Å; S371-D405 PolarHBondContact O-N 3.41Å; D405-V422 HydrophobicContact CB-CG1 3.82Å; D405-R424 WeakPolarHBondContact OD1-CB 3.29Å; D405-R424 WeakPolarHBondContact OD1-CG 3.42Å; D405-R424 IonicContact OD1-CZ 3.51Å; D405-R424 IonicContact OD1-NE 2.75Å; D405-R424 PolarHBondContact OD1-NE 2.04Å; D405-R424 IonicContact OD1-NH2 3.39Å; D405-R424 PolarHBondContact OD1-NH2 3.25Å; D405-R424 IonicContact OD2-CZ 3.7Å; D405-R424 IonicContact OD2-NE 3.71Å; D405-R424 IonicContact OD2-NH2 2.81Å; D405-R424 PolarHBondContact OD2-NH2 3.49Å |
| 406 | L | 95.9 | Very high | 87.5 | Confident | 6 Ų | 6 | 51.5 Ų | 51.5 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 110 | 178.9 | -49.1 | 178.3 | 0 | 0 | 0 | 108.4 | I354 I369 I380 L390 L404 V422 L423 L425 | I354-L406 HydrophobicContact CD1-CB 4.42Å; I354-L406 HydrophobicContact CD1-CD1 3.88Å; I354-L406 HydrophobicContact CG1-CD1 4.46Å; I369-L406 HydrophobicContact CG1-CD2 3.99Å; I369-L406 HydrophobicContact CG2-CD2 4.42Å; I380-L406 HydrophobicContact CD1-CD2 4.21Å; L390-L406 HydrophobicContact CD1-CD2 4.1Å; L390-L406 HydrophobicContact CD2-CD1 4.29Å; L404-L406 HydrophobicContact CB-CD2 3.88Å; L404-L406 HydrophobicContact CB-CG 4.29Å; L404-L406 HydrophobicContact CD1-CD2 4.36Å; L406-V422 CarbonylContact O-C 3.56Å; L406-V422 WeakPolarHBondContact O-CA 3.37Å; L406-L423 HydrophobicContact CB-CB 4.27Å; L406-L423 HydrophobicContact CD1-CD2 4.13Å; L406-L423 PolarHBondContact N-O 3.21Å; L406-L423 PolarHBondContact O-N 3.02Å; L406-L425 HydrophobicContact CD1-CB 4.2Å; L406-L425 HydrophobicContact CD1-CD2 3.99Å |
| 407 | E | 94.5 | Very high | 86.3 | Confident | 14 Ų | 14 | 56.8 Ų | 56.8 | 7% | 0.065 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 129.7 | -176.3 | -174.3 | 178 | -151.8 | 0 | 0 | 111.1 | F367 R368 R370 L409 S420 V422 | F367-E407 WeakPolarHBondContact CA-O 3.33Å; R368-E407 HydrophobicContact CG-CB 4.14Å; R368-E407 IonicContact CZ-OE2 3.99Å; R368-E407 PolarHBondContact N-O 2.8Å; R368-E407 IonicContact NE-OE2 2.91Å; R368-E407 PolarHBondContact NE-OE2 2.74Å; R368-E407 IonicContact NH2-OE1 2.67Å; R368-E407 IonicContact NH2-OE2 2.68Å; R368-E407 PolarHBondContact NH2-OE2 2.99Å; R368-E407 PolarHBondContact O-N 3.43Å; R370-E407 HydrophobicContact CB-CB 3.94Å; E407-L409 HydrophobicContact CG-CD2 4.1Å; E407-L409 HydrophobicContact CG-CG 4.38Å; E407-S420 VanDerWaalsContact CG-OG 3.28Å; E407-S420 WeakPolarHBondContact CG-OG 3.07Å; E407-S420 PolarHBondContact OE1-OG 3.45Å; E407-V422 HydrophobicContact CB-CG2 4.18Å; E407-V422 HydrophobicContact CG-CG2 4.18Å |
| 408 | M | 92.2 | Very high | 85.6 | Confident | 38 Ų | 38 | 64.3 Ų | 64.3 | 19% | 0.187 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 120.2 | 168.3 | -179 | -175.8 | 69 | 0 | 0 | 109 | T356 N365 T366 F367 S410 S420 S421 | T356-M408 HydrophobicContact CG2-CE 4.4Å; T356-M408 HydrophobicContact CG2-SD 3.23Å; T356-M408 WeakPolarHBondContact CG2-SD 3Å; N365-M408 HydrophobicContact CB-CG 4.05Å; N365-M408 HydrophobicContact CB-SD 4.27Å; T366-M408 WeakPolarHBondContact O-CA 3.46Å; F367-M408 HydrophobicContact CD1-CB 4.02Å; F367-M408 HydrophobicContact CD1-CG 4.03Å; F367-M408 HydrophobicContact CE1-CB 4.01Å; F367-M408 HydrophobicContact CE1-CG 3.65Å; F367-M408 HydrophobicContact CE1-SD 3.8Å; F367-M408 HydrophobicContact CZ-CG 4.24Å; F367-M408 HydrophobicContact CZ-SD 4.2Å; M408-S410 WeakPolarHBondContact CE-OG 3.44Å; M408-S420 WeakPolarHBondContact O-CA 3.46Å; M408-S421 PolarHBondContact N-O 2.85Å; M408-S421 PolarHBondContact O-N 3.29Å |
| 409 | L | 90.4 | Very high | 85.4 | Confident | 60 Ų | 60 | 65.3 Ų | 65.3 | 31% | 0.314 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 111.6 | 170.9 | -61.6 | 175.1 | 0 | 0 | 0 | 108.3 | N365 T366 E407 | N365-L409 WeakPolarHBondContact CA-O 3.47Å; T366-L409 PolarHBondContact N-O 3.14Å; T366-L409 PolarHBondContact O-N 2.74Å; E407-L409 HydrophobicContact CG-CD2 4.1Å; E407-L409 HydrophobicContact CG-CG 4.38Å |
| 410 | S | 86.9 | Confident | 85.3 | Confident | 25 Ų | 25 | 61.7 Ų | 61.7 | 18% | 0.175 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 130 | 176.4 | -62.7 | 0 | 0 | 0 | 0 | 109.9 | N365 M408 R418 S419 | N365-S410 WeakPolarHBondContact OD1-CA 3.23Å; N365-S410 VanDerWaalsContact OD1-CB 3.3Å; N365-S410 WeakPolarHBondContact OD1-CB 3.45Å; N365-S410 PolarHBondContact OD1-OG 3.04Å; M408-S410 WeakPolarHBondContact CE-OG 3.44Å; S410-R418 WeakPolarHBondContact O-CA 3.33Å; S410-S419 PolarHBondContact N-O 3.2Å; S410-S419 PolarHBondContact O-N 3.17Å; S410-S419 VanDerWaalsContact O-N 3.09Å |
| 411 | G | 82.9 | Confident | 85.3 | Confident | 9 Ų | 9 | 57.3 Ų | 57.3 | 9% | 0.093 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 140.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S363 F364 | S363-G411 WeakPolarHBondContact CA-O 3.47Å; F364-G411 WeakPolarHBondContact CD1-O 3.5Å; F364-G411 PolarHBondContact N-O 3.43Å; F364-G411 PolarHBondContact O-N 2.81Å |
| 412 | H | 80.1 | Confident | 85.3 | Confident | 31 Ų | 31 | 53.4 Ų | 53.4 | 14% | 0.144 | 30% | 0.297 | C | S | . | . | trans | -117.2 | 118.8 | 169.7 | -164.1 | -75.1 | 0 | 0 | 0 | 110.9 | T361 L414 V415 G416 Q417 | T361-H412 PolarHBondContact O-NE2 2.83Å; H412-L414 VanDerWaalsContact C-N 3.27Å; H412-L414 PolarHBondContact ND1-N 2.84Å; H412-L414 PolarHBondContact O-N 2.92Å; H412-V415 HydrophobicContact CB-CB 4.41Å; H412-V415 PolarHBondContact O-N 3.31Å; H412-G416 PolarHBondContact O-N 3.46Å; H412-Q417 PolarHBondContact N-O 3.5Å | ||
| 413 | P | 71.8 | Confident | 85.3 | Confident | 91 Ų | 91 | 54.1 Ų | 54.1 | 59% | 0.591 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -36.2 | -174.1 | -22.8 | 29.9 | 0 | 0 | 0 | 114.2 | G362 F364 | G362-P413 VanDerWaalsContact O-CD 3.25Å; G362-P413 WeakPolarHBondContact O-CD 2.99Å; F364-P413 HydrophobicContact CD1-CG 4.14Å; F364-P413 HydrophobicContact CE1-CG 3.97Å |
| 414 | L | 71.6 | Confident | 85.2 | Confident | 159 Ų | 159 | 54 Ų | 54 | 83% | 0.832 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -21.9 | -173.6 | -58.2 | 176.6 | 0 | 0 | 0 | 114.8 | H412 | H412-L414 VanDerWaalsContact C-N 3.27Å; H412-L414 PolarHBondContact ND1-N 2.84Å; H412-L414 PolarHBondContact O-N 2.92Å |
| 415 | V | 70.1 | Confident | 85.1 | Confident | 99 Ų | 99 | 54 Ų | 54 | 60% | 0.6 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.8 | -11.6 | -171.6 | -168 | 0 | 0 | 0 | 0 | 111 | H412 Q417 | H412-V415 HydrophobicContact CB-CB 4.41Å; H412-V415 PolarHBondContact O-N 3.31Å; V415-Q417 HydrophobicContact CB-CB 4.44Å; V415-Q417 HydrophobicContact CG1-CB 4.26Å; V415-Q417 PolarHBondContact O-N 3.42Å |
| 416 | G | 68.4 | Low | 85 | Confident | 64 Ų | 64 | 53.8 Ų | 53.8 | 66% | 0.66 | 29% | 0.294 | S | S | * | . | trans | 64.2 | 5.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | H412 R418 | H412-G416 PolarHBondContact O-N 3.46Å; G416-R418 PolarHBondContact O-N 3Å | ||
| 417 | Q | 68.8 | Low | 84.9 | Confident | 116 Ų | 116 | 53.5 Ų | 53.5 | 54% | 0.542 | 29% | 0.292 | S | S | . | . | trans | -73.9 | 126.2 | -179.6 | -162.6 | 177.4 | 10.6 | 0 | 0 | 109.3 | H412 V415 | H412-Q417 PolarHBondContact N-O 3.5Å; V415-Q417 HydrophobicContact CB-CB 4.44Å; V415-Q417 HydrophobicContact CG1-CB 4.26Å; V415-Q417 PolarHBondContact O-N 3.42Å | ||
| 418 | R | 77.7 | Confident | 84.8 | Confident | 230 Ų | 230 | 53 Ų | 53 | 87% | 0.868 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 126.1 | 170.7 | -65.4 | -176.3 | -179 | -174.3 | -0.2 | 108.1 | S410 G416 | S410-R418 WeakPolarHBondContact O-CA 3.33Å; G416-R418 PolarHBondContact O-N 3Å |
| 419 | S | 84.2 | Confident | 84.9 | Confident | 41 Ų | 41 | 51.3 Ų | 51.3 | 29% | 0.287 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 146.7 | 170.9 | 55.6 | 0 | 0 | 0 | 0 | 109.4 | S410 | S410-S419 PolarHBondContact N-O 3.2Å; S410-S419 PolarHBondContact O-N 3.17Å; S410-S419 VanDerWaalsContact O-N 3.09Å |
| 420 | S | 89.7 | Confident | 84.9 | Confident | 22 Ų | 22 | 48.6 Ų | 48.6 | 15% | 0.154 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 134 | 172.4 | 172 | 0 | 0 | 0 | 0 | 108.6 | P331 Y332 E407 M408 | P331-S420 CarbonylContact C-O 3.49Å; P331-S420 WeakPolarHBondContact CA-O 3.46Å; Y332-S420 WeakPolarHBondContact CB-O 3.32Å; Y332-S420 PolarHBondContact N-O 2.87Å; E407-S420 VanDerWaalsContact CG-OG 3.28Å; E407-S420 WeakPolarHBondContact CG-OG 3.07Å; E407-S420 PolarHBondContact OE1-OG 3.45Å; M408-S420 WeakPolarHBondContact O-CA 3.46Å |
| 421 | S | 91.1 | Very high | 85.1 | Confident | 21 Ų | 21 | 49.7 Ų | 49.7 | 15% | 0.147 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 140.3 | 171.9 | -57.9 | 0 | 0 | 0 | 0 | 108.6 | S333 M408 | S333-S421 WeakPolarHBondContact O-CA 3.31Å; S333-S421 WeakPolarHBondContact OG-CB 3.33Å; S333-S421 PolarHBondContact OG-OG 3.26Å; M408-S421 PolarHBondContact N-O 2.85Å; M408-S421 PolarHBondContact O-N 3.29Å |
| 422 | V | 93.5 | Very high | 85.5 | Confident | 5 Ų | 5 | 52.3 Ų | 52.3 | 3% | 0.03 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 133.6 | -179.3 | 171.3 | 0 | 0 | 0 | 0 | 110.1 | P331 S333 V334 V335 D405 L406 E407 | P331-V422 HydrophobicContact CB-CB 4.38Å; P331-V422 HydrophobicContact CB-CG2 3.8Å; P331-V422 HydrophobicContact CG-CB 4.37Å; P331-V422 HydrophobicContact CG-CG2 3.46Å; P331-V422 VanDerWaalsContact CG-CG2 3.46Å; S333-V422 PolarHBondContact O-N 3.41Å; V334-V422 CarbonylContact C-O 3.56Å; V334-V422 VanDerWaalsContact CA-O 3.24Å; V334-V422 WeakPolarHBondContact CA-O 3.05Å; V334-V422 HydrophobicContact CG2-CB 4.34Å; V335-V422 PolarHBondContact N-O 2.86Å; D405-V422 HydrophobicContact CB-CG1 3.82Å; L406-V422 CarbonylContact O-C 3.56Å; L406-V422 WeakPolarHBondContact O-CA 3.37Å; E407-V422 HydrophobicContact CB-CG2 4.18Å; E407-V422 HydrophobicContact CG-CG2 4.18Å |
| 423 | L | 93.1 | Very high | 85.9 | Confident | 26 Ų | 26 | 54.9 Ų | 54.9 | 14% | 0.136 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 109.2 | 163.9 | 169.3 | 64.7 | 0 | 0 | 0 | 107.6 | V335 R337 F352 L406 L425 | V335-L423 HydrophobicContact CB-CD1 4.22Å; V335-L423 HydrophobicContact CG1-CD1 4.15Å; V335-L423 CarbonylContact O-C 3.58Å; V335-L423 WeakPolarHBondContact O-CA 3.48Å; R337-L423 HydrophobicContact CB-CD1 3.91Å; R337-L423 HydrophobicContact CG-CD1 3.52Å; F352-L423 HydrophobicContact CD1-CD2 4.38Å; F352-L423 HydrophobicContact CE1-CD2 3.5Å; F352-L423 HydrophobicContact CZ-CD2 4.04Å; L406-L423 HydrophobicContact CB-CB 4.27Å; L406-L423 HydrophobicContact CD1-CD2 4.13Å; L406-L423 PolarHBondContact N-O 3.21Å; L406-L423 PolarHBondContact O-N 3.02Å; L423-L425 PolarHBondContact O-N 3.34Å |
| 424 | R | 93.9 | Very high | 86.5 | Confident | 63 Ų | 63 | 53.1 Ų | 53.1 | 24% | 0.238 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 99.4 | 171.3 | -177.4 | 162 | -69.8 | 167.7 | -0.3 | 108.8 | V334 V335 H336 R337 T403 L404 D405 | V334-R424 HydrophobicContact CG1-CB 4.24Å; V335-R424 PolarHBondContact O-N 2.02Å; H336-R424 WeakPolarHBondContact CA-O 3.35Å; R337-R424 PolarHBondContact N-O 3.39Å; T403-R424 HydrophobicContact CG2-CG 3.79Å; L404-R424 CarbonylContact O-C 3.5Å; L404-R424 WeakPolarHBondContact O-CA 3.48Å; D405-R424 WeakPolarHBondContact OD1-CB 3.29Å; D405-R424 WeakPolarHBondContact OD1-CG 3.42Å; D405-R424 IonicContact OD1-CZ 3.51Å; D405-R424 IonicContact OD1-NE 2.75Å; D405-R424 PolarHBondContact OD1-NE 2.04Å; D405-R424 IonicContact OD1-NH2 3.39Å; D405-R424 PolarHBondContact OD1-NH2 3.25Å; D405-R424 IonicContact OD2-CZ 3.7Å; D405-R424 IonicContact OD2-NE 3.71Å; D405-R424 IonicContact OD2-NH2 2.81Å; D405-R424 PolarHBondContact OD2-NH2 3.49Å |
| 425 | L | 94.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 115.4 | -178.4 | -177.9 | 64.5 | 0 | 0 | 0 | 109.7 | R337 M339 F352 L390 L404 L406 L423 I427 | R337-L425 HydrophobicContact CB-CD1 3.86Å; R337-L425 WeakPolarHBondContact O-CA 3.37Å; M339-L425 HydrophobicContact CG-CD1 3.94Å; M339-L425 HydrophobicContact CG-CG 4.38Å; M339-L425 HydrophobicContact SD-CD1 4.1Å; M339-L425 HydrophobicContact SD-CD2 3.84Å; M339-L425 HydrophobicContact SD-CG 4.29Å; F352-L425 HydrophobicContact CB-CD2 4.21Å; F352-L425 HydrophobicContact CD1-CD2 4.18Å; F352-L425 HydrophobicContact CD2-CD1 4.09Å; F352-L425 HydrophobicContact CD2-CD2 4.11Å; F352-L425 HydrophobicContact CE2-CD1 3.85Å; F352-L425 HydrophobicContact CG-CD2 3.9Å; F352-L425 HydrophobicContact CZ-CD1 4.23Å; L390-L425 HydrophobicContact CD2-CD2 3.69Å; L404-L425 PolarHBondContact N-O 3.26Å; L404-L425 PolarHBondContact O-N 3.46Å; L406-L425 HydrophobicContact CD1-CB 4.2Å; L406-L425 HydrophobicContact CD1-CD2 3.99Å; L423-L425 PolarHBondContact O-N 3.34Å; L425-I427 HydrophobicContact CD2-CD1 3.92Å; L425-I427 HydrophobicContact CD2-CG1 3.95Å; L425-I427 HydrophobicContact CG-CD1 4.32Å; L425-I427 HydrophobicContact CG-CG1 3.81Å |
| 426 | S | 93.1 | Very high | 88.2 | Confident | 10 Ų | 10 | 45.1 Ų | 45.1 | 7% | 0.07 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 117.5 | 171.5 | -51 | 0 | 0 | 0 | 0 | 108.9 | R337 Y338 M339 Y402 | R337-S426 PolarHBondContact O-N 2.96Å; Y338-S426 WeakPolarHBondContact CA-O 3.3Å; M339-S426 PolarHBondContact N-O 3.25Å; Y402-S426 CarbonylContact O-C 3.17Å; Y402-S426 VanDerWaalsContact O-CA 3.24Å; Y402-S426 WeakPolarHBondContact O-CA 3.39Å |
| 427 | I | 94.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 118.3 | -178 | -50.6 | 177.9 | 0 | 0 | 0 | 107.9 | M339 I341 I351 F378 L390 E401 Y402 L404 L425 | M339-I427 HydrophobicContact CG-CB 4.22Å; M339-I427 HydrophobicContact CG-CG1 3.84Å; M339-I427 HydrophobicContact CG-CG2 4.11Å; M339-I427 WeakPolarHBondContact O-CA 3.2Å; M339-I427 HydrophobicContact SD-CD1 4.23Å; M339-I427 HydrophobicContact SD-CG1 3.98Å; M339-I427 HydrophobicContact SD-CG2 4.48Å; I341-I427 HydrophobicContact CD1-CG2 4Å; I341-I427 HydrophobicContact CG1-CG2 3.98Å; I341-I427 HydrophobicContact CG2-CG2 4.39Å; I351-I427 HydrophobicContact CD1-CD1 4.18Å; F378-I427 HydrophobicContact CE1-CD1 4Å; F378-I427 HydrophobicContact CZ-CD1 4.09Å; L390-I427 HydrophobicContact CD2-CD1 3.94Å; E401-I427 WeakPolarHBondContact CA-O 3.38Å; Y402-I427 PolarHBondContact N-O 2.93Å; Y402-I427 PolarHBondContact O-N 3.32Å; L404-I427 HydrophobicContact CD1-CD1 3.73Å; L404-I427 HydrophobicContact CG-CD1 4.36Å; L425-I427 HydrophobicContact CD2-CD1 3.92Å; L425-I427 HydrophobicContact CD2-CG1 3.95Å; L425-I427 HydrophobicContact CG-CD1 4.32Å; L425-I427 HydrophobicContact CG-CG1 3.81Å |
| 428 | F | 93.3 | Very high | 90.5 | Very high | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.018 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 120.7 | 173.3 | -56.3 | -84.8 | 0 | 0 | 0 | 109.4 | I294 Y338 M339 T340 I341 E401 | I294-F428 HydrophobicContact CB-CB 4.31Å; I294-F428 HydrophobicContact CB-CD2 4.24Å; I294-F428 HydrophobicContact CB-CG 4.24Å; I294-F428 HydrophobicContact CD1-CD1 4.05Å; I294-F428 HydrophobicContact CD1-CE1 4.25Å; I294-F428 HydrophobicContact CD1-CG 4.23Å; I294-F428 HydrophobicContact CG2-CB 4.26Å; I294-F428 HydrophobicContact CG2-CD2 3.32Å; I294-F428 HydrophobicContact CG2-CE2 3.67Å; I294-F428 HydrophobicContact CG2-CG 3.79Å; I294-F428 HydrophobicContact CG2-CZ 4.42Å; Y338-F428 AromaticContact CD1-CE2 3.78Å; Y338-F428 HydrophobicContact CD1-CE2 3.78Å; Y338-F428 HydrophobicContact CD1-CZ 4.16Å; Y338-F428 HydrophobicContact CG-CE2 4.46Å; M339-F428 WeakPolarHBondContact O-CD2 3.03Å; M339-F428 PolarHBondContact O-N 3.39Å; T340-F428 CarbonylContact C-O 3.5Å; T340-F428 VanDerWaalsContact CA-O 3.28Å; T340-F428 WeakPolarHBondContact CA-O 3.4Å; T340-F428 PolarHBondContact OG1-O 3.24Å; I341-F428 PolarHBondContact N-O 3.09Å; E401-F428 HydrophobicContact CB-CD1 4.24Å; E401-F428 HydrophobicContact CB-CE1 4.44Å; E401-F428 HydrophobicContact CG-CD1 3.83Å; E401-F428 HydrophobicContact CG-CE1 3.68Å; E401-F428 HydrophobicContact CG-CZ 4.45Å; E401-F428 WeakPolarHBondContact OE1-CE1 2.97Å; E401-F428 WeakPolarHBondContact OE2-CE1 3.44Å |
| 429 | V | 93.3 | Very high | 91.3 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.012 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 114 | 171 | -169.2 | 0 | 0 | 0 | 0 | 107.2 | I341 V396 P399 R400 Y402 | I341-V429 HydrophobicContact CD1-CG2 4.05Å; I341-V429 HydrophobicContact CG1-CB 4.39Å; I341-V429 HydrophobicContact CG1-CG1 4.36Å; I341-V429 HydrophobicContact CG1-CG2 3.96Å; I341-V429 WeakPolarHBondContact O-CA 3.03Å; V396-V429 HydrophobicContact CG2-CG1 4.05Å; V396-V429 HydrophobicContact CG2-CG2 3.83Å; P399-V429 WeakPolarHBondContact CA-O 3.05Å; R400-V429 HydrophobicContact CB-CB 4.38Å; R400-V429 PolarHBondContact N-O 2.93Å; R400-V429 PolarHBondContact O-N 3.34Å; Y402-V429 HydrophobicContact CD2-CG2 4.02Å; Y402-V429 HydrophobicContact CE2-CG2 3.77Å |
| 430 | G | 91.2 | Very high | 91.8 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 2% | 0.021 | 14% | 0.143 | C | C | . | . | trans | -61.5 | 156.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I341 S343 G398 Y432 | I341-G430 PolarHBondContact O-N 2.77Å; S343-G430 VanDerWaalsContact CB-O 3.3Å; S343-G430 WeakPolarHBondContact CB-O 3.42Å; G398-G430 WeakPolarHBondContact CA-O 3.07Å; G430-Y432 VanDerWaalsContact C-N 3.26Å; G430-Y432 PolarHBondContact O-N 3Å | ||
| 431 | P | 89.9 | Confident | 91.9 | Very high | 48 Ų | 48 | 27.4 Ų | 27.4 | 31% | 0.312 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -72.1 | -19.8 | 179.4 | 27.7 | -32.6 | 0 | 0 | 0 | 113.4 | P399 | P399-P431 HydrophobicContact CB-CB 4.29Å; P399-P431 HydrophobicContact CG-CB 4.45Å |
| 432 | Y | 91.7 | Very high | 92 | Very high | 65 Ų | 65 | 27.9 Ų | 27.9 | 26% | 0.255 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -112.6 | 158 | -175.7 | -51.4 | -63.8 | 0 | 0 | 0 | 112 | F247 P261 Y264 S343 G430 F434 | F247-Y432 HydrophobicContact CD2-CD1 4.07Å; F247-Y432 AromaticContact CD2-CE1 3.98Å; F247-Y432 HydrophobicContact CD2-CE1 3.98Å; F247-Y432 AromaticContact CE2-CD1 3.81Å; F247-Y432 HydrophobicContact CE2-CD1 3.81Å; F247-Y432 AromaticContact CE2-CE1 3.29Å; F247-Y432 HydrophobicContact CE2-CE1 3.29Å; F247-Y432 AromaticContact CE2-CZ 3.93Å; F247-Y432 AromaticContact CZ-CE1 3.92Å; F247-Y432 HydrophobicContact CZ-CE1 3.92Å; P261-Y432 HydrophobicContact CB-CD2 4.23Å; P261-Y432 HydrophobicContact CB-CE1 4.34Å; P261-Y432 HydrophobicContact CB-CE2 3.31Å; P261-Y432 VanDerWaalsContact CB-OH 3.23Å; P261-Y432 WeakPolarHBondContact CB-OH 3.4Å; P261-Y432 HydrophobicContact CG-CD2 3.64Å; P261-Y432 HydrophobicContact CG-CE1 4.45Å; P261-Y432 HydrophobicContact CG-CE2 3.22Å; P261-Y432 HydrophobicContact CG-CG 4.41Å; Y264-Y432 AromaticContact CE2-CD2 3.9Å; Y264-Y432 HydrophobicContact CE2-CD2 3.9Å; Y264-Y432 HydrophobicContact CE2-CE2 4.16Å; S343-Y432 VanDerWaalsContact CB-O 3.27Å; S343-Y432 WeakPolarHBondContact CB-O 3.49Å; S343-Y432 PolarHBondContact N-O 3.48Å; G430-Y432 VanDerWaalsContact C-N 3.26Å; G430-Y432 PolarHBondContact O-N 3Å; Y432-F434 VanDerWaalsContact C-N 3.28Å; Y432-F434 HydrophobicContact CD1-CE1 4.36Å; Y432-F434 HydrophobicContact CD1-CZ 4.33Å; Y432-F434 HydrophobicContact CD2-CE2 4.49Å; Y432-F434 HydrophobicContact CD2-CZ 4.15Å; Y432-F434 HydrophobicContact CG-CE1 4.02Å; Y432-F434 HydrophobicContact CG-CE2 4.4Å; Y432-F434 AromaticContact CG-CZ 3.77Å; Y432-F434 HydrophobicContact CG-CZ 3.77Å; Y432-F434 PolarHBondContact O-N 3.38Å |
| 433 | T | 89.8 | Confident | 91.8 | Very high | 84 Ų | 84 | 29.8 Ų | 29.8 | 52% | 0.515 | 15% | 0.151 | S | C | . | . | trans | -82 | -6.8 | -176.5 | 57.8 | 0 | 0 | 0 | 0 | 114.1 | T342 S343 E344 | T342-T433 WeakPolarHBondContact CB-O 3.25Å; T342-T433 PolarHBondContact OG1-O 3.17Å; S343-T433 VanDerWaalsContact O-CA 3.29Å; S343-T433 WeakPolarHBondContact O-CA 3.25Å; S343-T433 WeakPolarHBondContact O-CG2 3.4Å; E344-T433 HydrophobicContact CB-CG2 3.96Å; E344-T433 HydrophobicContact CG-CG2 4.2Å | ||
| 434 | F | 84.2 | Confident | 91.7 | Very high | 54 Ų | 54 | 30.2 Ų | 30.2 | 24% | 0.237 | 15% | 0.152 | C | C | . | . | trans | -112.3 | 0 | -174.4 | 54.1 | -98.6 | 0 | 0 | 0 | 114.4 | Q246 F247 P261 Y264 C272 T342 Y432 | Q246-F434 VanDerWaalsContact CD-CB 3.46Å; Q246-F434 HydrophobicContact CG-CB 3.71Å; Q246-F434 HydrophobicContact CG-CD1 3.61Å; Q246-F434 HydrophobicContact CG-CD2 3.97Å; Q246-F434 HydrophobicContact CG-CE1 4.17Å; Q246-F434 HydrophobicContact CG-CG 3.49Å; Q246-F434 VanDerWaalsContact CG-CG 3.49Å; Q246-F434 WeakPolarHBondContact O-CE1 3.49Å; F247-F434 HydrophobicContact CB-CE1 4.01Å; F247-F434 HydrophobicContact CB-CZ 3.72Å; F247-F434 HydrophobicContact CD2-CE1 4.09Å; F247-F434 HydrophobicContact CD2-CZ 4.01Å; F247-F434 HydrophobicContact CG-CE1 4.49Å; F247-F434 HydrophobicContact CG-CZ 4.14Å; P261-F434 HydrophobicContact CG-CE2 4.41Å; P261-F434 HydrophobicContact CG-CZ 4.11Å; Y264-F434 HydrophobicContact CD1-CE2 4.07Å; Y264-F434 HydrophobicContact CE1-CD2 4.27Å; Y264-F434 HydrophobicContact CE1-CE2 4.01Å; C272-F434 HydrophobicContact CB-CD2 4.08Å; C272-F434 HydrophobicContact CB-CE2 3.54Å; C272-F434 HydrophobicContact CB-CZ 4.29Å; T342-F434 VanDerWaalsContact CG2-C 3.43Å; T342-F434 WeakPolarHBondContact CG2-O 3.41Å; Y432-F434 VanDerWaalsContact C-N 3.28Å; Y432-F434 HydrophobicContact CD1-CE1 4.36Å; Y432-F434 HydrophobicContact CD1-CZ 4.33Å; Y432-F434 HydrophobicContact CD2-CE2 4.49Å; Y432-F434 HydrophobicContact CD2-CZ 4.15Å; Y432-F434 HydrophobicContact CG-CE1 4.02Å; Y432-F434 HydrophobicContact CG-CE2 4.4Å; Y432-F434 AromaticContact CG-CZ 3.77Å; Y432-F434 HydrophobicContact CG-CZ 3.77Å; Y432-F434 PolarHBondContact O-N 3.38Å |
Retrieved 434 of 434 residues in 190.6 ms
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