| 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 | 45 | Very low | 46.4 | Very low | 242 Ų | 242 | 152.6 Ų | 152.6 | 100% | 1.192 | 85% | 0.846 | S | S | * | * | 0 | 135.1 | 0 | -62.3 | -168.4 | -154.3 | 0 | 0 | 108.1 | |||||
| 2 | S | 34.9 | Very low | 46.2 | Very low | 119 Ų | 119 | 148.5 Ų | 148.5 | 83% | 0.832 | 84% | 0.836 | S | S | * | * | trans | -70.3 | 137.9 | -174.1 | -20.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 3 | I | 49.9 | Very low | 45.7 | Very low | 145 Ų | 145 | 150.5 Ų | 150.5 | 74% | 0.744 | 83% | 0.834 | S | S | * | * | trans | -133 | 125.5 | 162 | -51.7 | 178.3 | 0 | 0 | 0 | 108.3 | F5 | I3-F5 HydrophobicContact CG2-CE2 4.24Š| ||
| 4 | I | 47 | Very low | 45.8 | Very low | 143 Ų | 143 | 149.6 Ų | 149.6 | 73% | 0.733 | 83% | 0.825 | S | S | * | * | trans | -86.4 | 130.1 | -173.4 | -63.5 | 159.1 | 0 | 0 | 0 | 107.7 | ||||
| 5 | F | 58.1 | Low | 45.6 | Very low | 191 Ų | 191 | 146.8 Ų | 146.8 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | trans | -112.9 | 129.8 | 161.6 | -77.7 | -82.3 | 0 | 0 | 0 | 110.2 | I3 | I3-F5 HydrophobicContact CG2-CE2 4.24Š| ||
| 6 | T | 52.9 | Low | 45.3 | Very low | 124 Ų | 124 | 144.4 Ų | 144.4 | 76% | 0.761 | 81% | 0.81 | S | S | * | * | trans | -75.2 | 143.7 | -165.3 | 45.2 | 0 | 0 | 0 | 0 | 112.9 | G8 | T6-G8 PolarHBondContact O-N 2.7Š| ||
| 7 | V | 48.7 | Very low | 44.9 | Very low | 135 Ų | 135 | 142.1 Ų | 142.1 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -56.7 | 106.1 | 179.6 | -147.9 | 0 | 0 | 0 | 0 | 111.6 | K9 | V7-K9 PolarHBondContact O-N 3.11Š| ||
| 8 | G | 42.3 | Very low | 44.8 | Very low | 80 Ų | 80 | 141.3 Ų | 141.3 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -78.8 | 85.2 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | T6 K10 | T6-G8 PolarHBondContact O-N 2.7Å; G8-K10 PolarHBondContact O-N 2.79Å | ||
| 9 | K | 40.5 | Very low | 44.4 | Very low | 193 Ų | 193 | 139.5 Ų | 139.5 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | trans | -68.2 | 108.3 | 169.6 | -106.7 | -179.9 | 162 | 178.4 | 0 | 109.5 | V7 | V7-K9 PolarHBondContact O-N 3.11Š| ||
| 10 | K | 52.1 | Low | 44.2 | Very low | 207 Ų | 207 | 136.6 Ų | 136.6 | 90% | 0.9 | 79% | 0.79 | S | S | * | * | trans | -136.9 | 100.8 | 144.1 | -99.5 | -160.3 | 170.9 | -169.5 | 0 | 109.8 | G8 | G8-K10 PolarHBondContact O-N 2.79Š| ||
| 11 | A | 39.6 | Very low | 43.9 | Very low | 100 Ų | 100 | 136.1 Ų | 136.1 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | trans | -61 | 135.6 | 161.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 12 | S | 43.8 | Very low | 43.9 | Very low | 103 Ų | 103 | 131.3 Ų | 131.3 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | -170.7 | 93.8 | 120.9 | -168.7 | 0 | 0 | 0 | 0 | 107.6 | I14 | S12-I14 PolarHBondContact O-N 2.69Š| |||
| 13 | E | 39.7 | Very low | 44.4 | Very low | 174 Ų | 174 | 130.8 Ų | 130.8 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | trans | -63.2 | 108.8 | 163.8 | -178 | 178.3 | -173.7 | 0 | 0 | 108.4 | V15 | E13-V15 HydrophobicContact CG-CG2 4.08Š| ||
| 14 | I | 46.7 | Very low | 44.2 | Very low | 139 Ų | 139 | 133.1 Ų | 133.1 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | trans | -120.3 | 102.7 | 154.2 | -62.9 | 174.9 | 0 | 0 | 0 | 106 | S12 S16 | S12-I14 PolarHBondContact O-N 2.69Å; I14-S16 PolarHBondContact O-N 3.01Å; I14-S16 VanDerWaalsContact O-N 3.17Å | ||
| 15 | V | 43 | Very low | 44 | Very low | 107 Ų | 107 | 132 Ų | 132 | 65% | 0.648 | 77% | 0.768 | S | S | * | * | trans | -49.4 | 109.4 | 175.1 | -177.1 | 0 | 0 | 0 | 0 | 109.4 | E13 | E13-V15 HydrophobicContact CG-CG2 4.08Š| ||
| 16 | S | 40.1 | Very low | 43.3 | Very low | 108 Ų | 108 | 131.4 Ų | 131.4 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | trans | -139.9 | 60.5 | 170.9 | -72.8 | 0 | 0 | 0 | 0 | 108.6 | I14 | I14-S16 PolarHBondContact O-N 3.01Å; I14-S16 VanDerWaalsContact O-N 3.17Å | ||
| 17 | S | 39 | Very low | 42.8 | Very low | 106 Ų | 106 | 135.7 Ų | 135.7 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | trans | -170.6 | 69.8 | 174.1 | 39.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 18 | T | 42.6 | Very low | 42.4 | Very low | 128 Ų | 128 | 133.5 Ų | 133.5 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | trans | -87.3 | 92.7 | 141.8 | 43.5 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 19 | S | 37.4 | Very low | 42.5 | Very low | 106 Ų | 106 | 137.9 Ų | 137.9 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | 46.6 | 82.7 | 97.4 | 67.3 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 20 | S | 40.3 | Very low | 42.6 | Very low | 81 Ų | 81 | 132.6 Ų | 132.6 | 57% | 0.566 | 76% | 0.757 | S | S | * | * | trans | 169.6 | 119 | 131.1 | 175.2 | 0 | 0 | 0 | 0 | 109.8 | L22 | S20-L22 VanDerWaalsContact C-N 3.28Å; S20-L22 PolarHBondContact O-N 3.14Å | ||
| 21 | P | 39.3 | Very low | 42 | Very low | 127 Ų | 127 | 134.3 Ų | 134.3 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | trans | -76.3 | 84.6 | 166.6 | 32.6 | -28.9 | 0 | 0 | 0 | 107.9 | P23 | P21-P23 WeakPolarHBondContact O-CD 3.45Š| ||
| 22 | L | 43.9 | Very low | 42.3 | Very low | 142 Ų | 142 | 137.2 Ų | 137.2 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | trans | -87.2 | 110.2 | 157.6 | -86.3 | 142.4 | 0 | 0 | 0 | 106.4 | S20 K24 | S20-L22 VanDerWaalsContact C-N 3.28Å; S20-L22 PolarHBondContact O-N 3.14Å; L22-K24 PolarHBondContact O-N 2.9Å | ||
| 23 | P | 45.1 | Very low | 42 | Very low | 108 Ų | 108 | 135 Ų | 135 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | trans | -63 | 91.2 | 162.4 | 26.4 | -29.9 | 0 | 0 | 0 | 105.5 | P21 V25 | P21-P23 WeakPolarHBondContact O-CD 3.45Å; P23-V25 PolarHBondContact O-N 2.83Å | ||
| 24 | K | 46.1 | Very low | 42 | Very low | 194 Ų | 194 | 136.3 Ų | 136.3 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | trans | -69.2 | 86.8 | 166.2 | -148.9 | 170.5 | -170.9 | 176.3 | 0 | 103.1 | L22 Q26 | L22-K24 PolarHBondContact O-N 2.9Å; K24-Q26 PolarHBondContact O-N 2.77Å | ||
| 25 | V | 43.6 | Very low | 41.8 | Very low | 120 Ų | 120 | 136 Ų | 136 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | -52.4 | 90.5 | 159.5 | 177.6 | 0 | 0 | 0 | 0 | 103.1 | P23 R27 | P23-V25 PolarHBondContact O-N 2.83Å; V25-R27 PolarHBondContact O-N 2.73Å | ||
| 26 | Q | 41.9 | Very low | 41.9 | Very low | 177 Ų | 177 | 138.3 Ų | 138.3 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | trans | -66 | 92.5 | 172.5 | -167.6 | 171.6 | 10.7 | 0 | 0 | 101.3 | K24 A28 | K24-Q26 PolarHBondContact O-N 2.77Å; Q26-A28 PolarHBondContact O-N 3.17Å | ||
| 27 | R | 43.2 | Very low | 42.2 | Very low | 215 Ų | 215 | 138.2 Ų | 138.2 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | trans | -48.1 | 104.4 | 162.3 | -107.9 | -178.1 | -174.8 | 169.1 | 1.4 | 102.5 | V25 H29 | V25-R27 PolarHBondContact O-N 2.73Å; R27-H29 PolarHBondContact O-N 2.88Å | ||
| 28 | A | 40.6 | Very low | 42.9 | Very low | 88 Ų | 88 | 136 Ų | 136 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | trans | -54.2 | 103.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 102.3 | Q26 A30 | Q26-A28 PolarHBondContact O-N 3.17Å; A28-A30 PolarHBondContact O-N 2.99Å | ||
| 29 | H | 44.2 | Very low | 43.9 | Very low | 172 Ų | 172 | 133.2 Ų | 133.2 | 80% | 0.796 | 73% | 0.726 | S | S | * | * | trans | -56.1 | 94.5 | 157.6 | -79.7 | -91.9 | 0 | 0 | 0 | 102.2 | R27 R31 | R27-H29 PolarHBondContact O-N 2.88Å; H29-R31 PolarHBondContact O-N 3.29Å | ||
| 30 | A | 43.4 | Very low | 45.5 | Very low | 82 Ų | 82 | 130.5 Ų | 130.5 | 68% | 0.678 | 70% | 0.7 | S | S | * | * | trans | -53.4 | 101.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 102.8 | A28 L32 | A28-A30 PolarHBondContact O-N 2.99Å; A30-L32 PolarHBondContact O-N 2.95Å | ||
| 31 | R | 39.2 | Very low | 47.2 | Very low | 244 Ų | 244 | 134.9 Ų | 134.9 | 92% | 0.921 | 71% | 0.711 | S | S | * | * | trans | -69.2 | 63.8 | 165.7 | -71.1 | -179.3 | 167.2 | -168.9 | -2.9 | 104.9 | H29 G33 | H29-R31 PolarHBondContact O-N 3.29Å; R31-G33 PolarHBondContact O-N 3.01Å; R31-G33 VanDerWaalsContact O-N 3.13Å | ||
| 32 | L | 44.5 | Very low | 49.2 | Very low | 160 Ų | 160 | 131.1 Ų | 131.1 | 84% | 0.838 | 69% | 0.687 | S | S | * | * | trans | -73.5 | 108.6 | 174.9 | -151.3 | 71.6 | 0 | 0 | 0 | 104.2 | A30 K34 | A30-L32 PolarHBondContact O-N 2.95Å; L32-K34 PolarHBondContact O-N 2.99Å | ||
| 33 | G | 37.2 | Very low | 51.1 | Low | 56 Ų | 56 | 128.1 Ų | 128.1 | 58% | 0.577 | 68% | 0.678 | S | S | * | * | trans | -60.1 | 129 | -163.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | R31 N35 | R31-G33 PolarHBondContact O-N 3.01Å; R31-G33 VanDerWaalsContact O-N 3.13Å; G33-N35 PolarHBondContact O-N 3.31Å | ||
| 34 | K | 40.6 | Very low | 52.8 | Low | 203 Ų | 203 | 131.7 Ų | 131.7 | 88% | 0.883 | 69% | 0.685 | S | S | * | * | S | Bend | 36.6 | -1.2 | 127.4 | -69.3 | -174.9 | 174.9 | -176.8 | 0 | 121.7 | L32 L36 | L32-K34 PolarHBondContact O-N 2.99Å; K34-L36 PolarHBondContact O-N 3.19Å | |
| 35 | N | 42.2 | Very low | 54.8 | Low | 133 Ų | 133 | 124.4 Ų | 124.4 | 71% | 0.711 | 66% | 0.655 | S | S | * | * | trans | -90.4 | 86.8 | 162.2 | -74.7 | -50.3 | 0 | 0 | 0 | 106.6 | G33 S37 | G33-N35 PolarHBondContact O-N 3.31Å; N35-S37 PolarHBondContact O-N 3.12Å | ||
| 36 | L | 44.9 | Very low | 57 | Low | 155 Ų | 155 | 120.5 Ų | 120.5 | 81% | 0.812 | 63% | 0.632 | S | S | * | * | trans | -58.5 | 15.3 | 170.5 | -76.9 | 153.3 | 0 | 0 | 0 | 113.7 | K34 M38 | K34-L36 PolarHBondContact O-N 3.19Å; L36-M38 PolarHBondContact O-N 2.99Å | ||
| 37 | S | 47.3 | Very low | 59.2 | Low | 105 Ų | 105 | 112.6 Ų | 112.6 | 73% | 0.734 | 60% | 0.595 | S | S | * | * | trans | -75.8 | 35.5 | 166.3 | -46.4 | 0 | 0 | 0 | 0 | 111 | N35 S39 | N35-S37 PolarHBondContact O-N 3.12Å; S37-S39 PolarHBondContact O-N 3.44Å | ||
| 38 | M | 53.4 | Low | 61.5 | Low | 59 Ų | 59 | 102.4 Ų | 102.4 | 29% | 0.291 | 56% | 0.557 | S | S | . | * | trans | -73.5 | 65.4 | 178.1 | -61.6 | -161.6 | -37.5 | 0 | 0 | 109.7 | L36 Y40 S59 N72 D73 | L36-M38 PolarHBondContact O-N 2.99Å; M38-Y40 PolarHBondContact O-N 3.41Å; M38-S59 WeakPolarHBondContact O-CB 3.11Å; M38-N72 HydrophobicContact CE-CB 3.55Å; M38-N72 WeakPolarHBondContact CE-O 3.36Å; M38-D73 HydrophobicContact CE-CB 4.23Å; M38-D73 VanDerWaalsContact CE-CG 3.41Å; M38-D73 VanDerWaalsContact CE-OD2 3.29Å; M38-D73 WeakPolarHBondContact CE-OD2 3.44Å | ||
| 39 | S | 62.8 | Low | 63.8 | Low | 70 Ų | 70 | 98.3 Ų | 98.3 | 49% | 0.49 | 52% | 0.523 | S | S | . | . | trans | -71.5 | 111.8 | 155.4 | -175.4 | 0 | 0 | 0 | 0 | 104.7 | S37 E41 | S37-S39 PolarHBondContact O-N 3.44Å; S39-E41 PolarHBondContact O-N 3.17Å | ||
| 40 | Y | 71.7 | Confident | 65.9 | Low | 49 Ų | 49 | 92.9 Ų | 92.9 | 19% | 0.192 | 50% | 0.5 | C | S | . | . | P | Polyproline II helix | trans | -51.9 | 143 | 163.8 | -63.9 | -87.8 | 0 | 0 | 0 | 108.7 | M38 P42 V48 S59 A61 W70 N72 | M38-Y40 PolarHBondContact O-N 3.41Å; Y40-P42 WeakPolarHBondContact O-CD 3.36Å; Y40-V48 VanDerWaalsContact CB-CG2 3.41Å; Y40-V48 HydrophobicContact CD2-CG1 4.4Å; Y40-V48 HydrophobicContact CG-CG2 4.49Å; Y40-S59 WeakPolarHBondContact CD2-OG 3.36Å; Y40-S59 WeakPolarHBondContact CE2-O 3.38Å; Y40-A61 HydrophobicContact CD1-CB 3.69Å; Y40-A61 HydrophobicContact CD2-CB 3.53Å; Y40-A61 HydrophobicContact CE1-CB 3.84Å; Y40-A61 HydrophobicContact CE2-CB 3.71Å; Y40-A61 HydrophobicContact CG-CB 3.51Å; Y40-W70 HydrophobicContact CE1-CB 4.43Å; Y40-W70 WeakPolarHBondContact OH-CB 3.21Å; Y40-N72 WeakPolarHBondContact OH-CA 3.45Å; Y40-N72 PolarHBondContact OH-N 3.35Å; Y40-N72 PolarHBondContact OH-O 2.94Å |
| 41 | E | 76.3 | Confident | 68 | Low | 173 Ų | 173 | 89 Ų | 89 | 81% | 0.808 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -82.2 | 118.4 | 174 | -168.4 | 173.9 | 176 | 0 | 0 | 108.4 | S39 S43 | S39-E41 PolarHBondContact O-N 3.17Å; E41-S43 PolarHBondContact O-N 2.87Å |
| 42 | P | 80.8 | Confident | 70.3 | Confident | 49 Ų | 49 | 82.3 Ų | 82.3 | 32% | 0.318 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 136.7 | 175.3 | 26.3 | -32.6 | 0 | 0 | 0 | 109.6 | Y40 V48 | Y40-P42 WeakPolarHBondContact O-CD 3.36Å; P42-V48 HydrophobicContact CB-CB 4.44Å; P42-V48 HydrophobicContact CB-CG2 4.23Å |
| 43 | S | 83.6 | Confident | 72.2 | Confident | 79 Ų | 79 | 76.7 Ų | 76.7 | 55% | 0.552 | 42% | 0.42 | S | S | * | . | trans | -134.3 | 173.3 | -179.5 | -175 | 0 | 0 | 0 | 0 | 109.7 | E41 N45 V46 | E41-S43 PolarHBondContact O-N 2.87Å; S43-N45 PolarHBondContact O-N 2.73Å; S43-N45 VanDerWaalsContact O-N 3.12Å; S43-V46 PolarHBondContact N-O 2.86Å; S43-V46 PolarHBondContact O-N 2.7Å | ||
| 44 | E | 82.2 | Confident | 74.3 | Confident | 182 Ų | 182 | 77.4 Ų | 77.4 | 85% | 0.85 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -54.9 | -34.5 | 177.5 | -65.7 | -176.7 | 177.6 | 0 | 0 | 111.9 | K64 | E44-K64 PolarHBondContact O-NZ 2.92Š|
| 45 | N | 87.2 | Confident | 76.2 | Confident | 41 Ų | 41 | 72.6 Ų | 72.6 | 22% | 0.219 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -100.1 | -13 | -178.6 | -167.6 | 24.9 | 0 | 0 | 0 | 114.4 | S43 K64 D65 | S43-N45 PolarHBondContact O-N 2.73Å; S43-N45 VanDerWaalsContact O-N 3.12Å; N45-K64 WeakPolarHBondContact O-CG 3.4Å; N45-K64 PolarHBondContact O-N 3.32Å; N45-K64 WeakPolarHBondContact OD1-CB 3.37Å; N45-K64 PolarHBondContact OD1-N 3.26Å; N45-D65 VanDerWaalsContact CG-CG 3.42Å; N45-D65 VanDerWaalsContact CG-OD2 3.25Å; N45-D65 PolarHBondContact ND2-OD2 2.8Å; N45-D65 PolarHBondContact OD1-N 3.48Å; N45-D65 PolarHBondContact OD1-OD1 2.9Å; N45-D65 PolarHBondContact OD1-OD2 3.36Å |
| 46 | V | 88.7 | Confident | 78.1 | Confident | 39 Ų | 39 | 69.7 Ų | 69.7 | 24% | 0.236 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 121.4 | -174 | -177.8 | 0 | 0 | 0 | 0 | 110.3 | S43 V48 A61 Y62 | S43-V46 PolarHBondContact N-O 2.86Å; S43-V46 PolarHBondContact O-N 2.7Å; V46-V48 HydrophobicContact CG1-CG2 4.08Å; V46-A61 HydrophobicContact CG1-CB 4.03Å; V46-Y62 WeakPolarHBondContact CA-O 3.49Å |
| 47 | I | 89.4 | Confident | 80.1 | Confident | 10 Ų | 10 | 68 Ų | 68 | 5% | 0.051 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 133.3 | 175.6 | -52.2 | 179.5 | 0 | 0 | 0 | 108.6 | W49 A61 Y62 Y113 C124 | I47-W49 HydrophobicContact CB-CH2 3.66Å; I47-W49 HydrophobicContact CB-CZ2 4.33Å; I47-W49 HydrophobicContact CB-CZ3 3.78Å; I47-W49 HydrophobicContact CD1-CH2 4.32Å; I47-W49 HydrophobicContact CG2-CD2 4.22Å; I47-W49 HydrophobicContact CG2-CE3 4.07Å; I47-W49 HydrophobicContact CG2-CH2 3.28Å; I47-W49 HydrophobicContact CG2-CZ2 3.45Å; I47-W49 VanDerWaalsContact CG2-CZ2 3.45Å; I47-W49 HydrophobicContact CG2-CZ3 3.61Å; I47-A61 CarbonylContact O-C 3.58Å; I47-A61 VanDerWaalsContact O-CA 3.31Å; I47-A61 WeakPolarHBondContact O-CA 3.32Å; I47-Y62 PolarHBondContact N-O 2.88Å; I47-Y62 PolarHBondContact O-N 3.24Å; I47-Y113 HydrophobicContact CD1-CD1 3.43Å; I47-Y113 VanDerWaalsContact CD1-CD1 3.43Å; I47-Y113 HydrophobicContact CD1-CD2 3.18Å; I47-Y113 HydrophobicContact CD1-CE1 3.74Å; I47-Y113 HydrophobicContact CD1-CE2 3.49Å; I47-Y113 VanDerWaalsContact CD1-CE2 3.49Å; I47-Y113 HydrophobicContact CD1-CG 3.13Å; I47-C124 WeakPolarHBondContact CG2-SG 3.22Å |
| 48 | V | 90.4 | Very high | 82 | Confident | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.012 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 135.4 | -175.9 | -176.8 | 0 | 0 | 0 | 0 | 110.1 | Y40 P42 V46 S59 L60 A61 | Y40-V48 VanDerWaalsContact CB-CG2 3.41Å; Y40-V48 HydrophobicContact CD2-CG1 4.4Å; Y40-V48 HydrophobicContact CG-CG2 4.49Å; P42-V48 HydrophobicContact CB-CB 4.44Å; P42-V48 HydrophobicContact CB-CG2 4.23Å; V46-V48 HydrophobicContact CG1-CG2 4.08Å; V48-S59 WeakPolarHBondContact CG1-OG 3.26Å; V48-L60 CarbonylContact C-O 3.56Å; V48-L60 VanDerWaalsContact CA-O 3.29Å; V48-L60 WeakPolarHBondContact CA-O 3.46Å; V48-A61 HydrophobicContact CG2-CB 4.39Å |
| 49 | W | 90.5 | Very high | 83.6 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 0% | 0.004 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 130.1 | 170.9 | -64.1 | -96.8 | 0 | 0 | 0 | 109.2 | I47 V51 S59 L60 F69 L100 L115 I122 | I47-W49 HydrophobicContact CB-CH2 3.66Å; I47-W49 HydrophobicContact CB-CZ2 4.33Å; I47-W49 HydrophobicContact CB-CZ3 3.78Å; I47-W49 HydrophobicContact CD1-CH2 4.32Å; I47-W49 HydrophobicContact CG2-CD2 4.22Å; I47-W49 HydrophobicContact CG2-CE3 4.07Å; I47-W49 HydrophobicContact CG2-CH2 3.28Å; I47-W49 HydrophobicContact CG2-CZ2 3.45Å; I47-W49 VanDerWaalsContact CG2-CZ2 3.45Å; I47-W49 HydrophobicContact CG2-CZ3 3.61Å; W49-V51 HydrophobicContact CB-CG2 4.44Å; W49-S59 CarbonylContact O-C 3.6Å; W49-S59 WeakPolarHBondContact O-CA 3.47Å; W49-L60 HydrophobicContact CB-CB 4.43Å; W49-L60 PolarHBondContact N-O 2.77Å; W49-L60 PolarHBondContact O-N 2.98Å; W49-F69 HydrophobicContact CE3-CE2 4.42Å; W49-F69 HydrophobicContact CZ3-CE2 4.06Å; W49-L100 HydrophobicContact CH2-CD1 3.68Å; W49-L100 HydrophobicContact CZ2-CD1 4Å; W49-L115 HydrophobicContact CB-CD2 3.67Å; W49-L115 HydrophobicContact CD2-CB 4.09Å; W49-L115 HydrophobicContact CD2-CD2 3.76Å; W49-L115 HydrophobicContact CE3-CD2 4.24Å; W49-L115 HydrophobicContact CG-CB 4.23Å; W49-L115 HydrophobicContact CG-CD2 3.49Å; W49-L115 VanDerWaalsContact CG-CD2 3.49Å; W49-L115 HydrophobicContact CZ2-CB 4.12Å; W49-I122 HydrophobicContact CB-CG2 4.24Å |
| 50 | N | 88.4 | Confident | 85 | Confident | 59 Ų | 59 | 57.4 Ų | 57.4 | 32% | 0.316 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 117.3 | 167.5 | -69.3 | -18.3 | 0 | 0 | 0 | 107.6 | S59 L125 | N50-S59 WeakPolarHBondContact OD1-CB 3.34Å; N50-S59 PolarHBondContact OD1-OG 2.98Å; N50-L125 HydrophobicContact CB-CD1 3.88Å; N50-L125 WeakPolarHBondContact ND2-CD1 3.3Å |
| 51 | V | 87.3 | Confident | 85.8 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 129.1 | -175.9 | -171.3 | 0 | 0 | 0 | 0 | 108.8 | W49 L53 H57 F58 L60 L115 I117 I122 | W49-V51 HydrophobicContact CB-CG2 4.44Å; V51-L53 HydrophobicContact CG1-CD1 4.37Å; V51-L53 HydrophobicContact CG1-CD2 3.89Å; V51-L53 HydrophobicContact CG1-CG 3.76Å; V51-H57 WeakPolarHBondContact O-CA 3.11Å; V51-F58 HydrophobicContact CB-CD2 4.01Å; V51-F58 HydrophobicContact CB-CE1 4.18Å; V51-F58 HydrophobicContact CB-CE2 3.57Å; V51-F58 HydrophobicContact CB-CG 4.48Å; V51-F58 HydrophobicContact CB-CZ 3.69Å; V51-F58 HydrophobicContact CG1-CE1 4.07Å; V51-F58 HydrophobicContact CG1-CE2 3.96Å; V51-F58 HydrophobicContact CG1-CZ 3.57Å; V51-F58 HydrophobicContact CG2-CD2 4.24Å; V51-F58 HydrophobicContact CG2-CE2 3.7Å; V51-F58 HydrophobicContact CG2-CZ 4.2Å; V51-F58 PolarHBondContact N-O 2.81Å; V51-F58 PolarHBondContact O-N 2.82Å; V51-L60 HydrophobicContact CG2-CD1 3.77Å; V51-L60 HydrophobicContact CG2-CG 4.11Å; V51-L115 HydrophobicContact CG2-CD2 4.42Å; V51-I117 HydrophobicContact CB-CD1 4.29Å; V51-I117 HydrophobicContact CG1-CD1 3.52Å; V51-I117 HydrophobicContact CG2-CD1 3.8Å; V51-I122 HydrophobicContact CG1-CD1 4.32Å; V51-I122 HydrophobicContact CG2-CG2 4.26Å |
| 52 | N | 86.7 | Confident | 86.6 | Confident | 104 Ų | 104 | 47 Ų | 47 | 56% | 0.556 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 103.9 | 172.9 | -61.6 | -10.7 | 0 | 0 | 0 | 108.6 | D56 H57 | N52-D56 CarbonylContact C-O 3.57Å; N52-H57 PolarHBondContact OD1-CD2 2.83Å |
| 53 | L | 83.8 | Confident | 87 | Confident | 41 Ų | 41 | 45.7 Ų | 45.7 | 22% | 0.215 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 77.4 | 174.8 | -59.8 | -178.1 | 0 | 0 | 0 | 109 | V51 S55 D56 F58 H96 I117 | V51-L53 HydrophobicContact CG1-CD1 4.37Å; V51-L53 HydrophobicContact CG1-CD2 3.89Å; V51-L53 HydrophobicContact CG1-CG 3.76Å; L53-S55 PolarHBondContact O-N 2.85Å; L53-S55 VanDerWaalsContact O-N 3.07Å; L53-D56 PolarHBondContact N-O 3.44Å; L53-D56 PolarHBondContact O-N 3.45Å; L53-D56 VanDerWaalsContact O-N 3.11Å; L53-F58 HydrophobicContact CD1-CE1 3.75Å; L53-F58 HydrophobicContact CD1-CZ 3.81Å; L53-F58 HydrophobicContact CG-CE1 4.02Å; L53-F58 HydrophobicContact CG-CZ 4.27Å; L53-H96 HydrophobicContact CD1-CB 4.35Å; L53-H96 VanDerWaalsContact CD1-CD2 3.48Å; L53-H96 WeakPolarHBondContact CD1-CD2 3.38Å; L53-I117 HydrophobicContact CD1-CG2 4.03Å; L53-I117 HydrophobicContact CD2-CG2 4.27Å |
| 54 | G | 81.5 | Confident | 87.3 | Confident | 71 Ų | 71 | 44.4 Ų | 44.4 | 73% | 0.732 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | -106.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | H57 | G54-H57 PolarHBondContact O-CE1 3.14Š|
| 55 | S | 80.7 | Confident | 87.6 | Confident | 102 Ų | 102 | 41.7 Ų | 41.7 | 71% | 0.713 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -24.8 | 175.4 | 51.5 | 0 | 0 | 0 | 0 | 113 | L53 H57 | L53-S55 PolarHBondContact O-N 2.85Å; L53-S55 VanDerWaalsContact O-N 3.07Å; S55-H57 PolarHBondContact O-ND1 2.88Å |
| 56 | D | 83.3 | Confident | 87.7 | Confident | 72 Ų | 72 | 43.8 Ų | 43.8 | 39% | 0.385 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 120.8 | -172.3 | -61.6 | -32.7 | 0 | 0 | 0 | 110.6 | N52 L53 M94 | N52-D56 CarbonylContact C-O 3.57Å; L53-D56 PolarHBondContact N-O 3.44Å; L53-D56 PolarHBondContact O-N 3.45Å; L53-D56 VanDerWaalsContact O-N 3.11Å; D56-M94 HydrophobicContact CB-SD 3.97Å |
| 57 | H | 85.3 | Confident | 87.6 | Confident | 120 Ų | 120 | 46.2 Ų | 46.2 | 56% | 0.556 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 122.1 | 179.7 | -63.7 | 66.4 | 0 | 0 | 0 | 107.9 | V51 N52 G54 S55 | V51-H57 WeakPolarHBondContact O-CA 3.11Å; N52-H57 PolarHBondContact OD1-CD2 2.83Å; G54-H57 PolarHBondContact O-CE1 3.14Å; S55-H57 PolarHBondContact O-ND1 2.88Å |
| 58 | F | 87.4 | Confident | 87.7 | Confident | 9 Ų | 9 | 47.2 Ų | 47.2 | 4% | 0.039 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 156.7 | -179.7 | 58.7 | -91.2 | 0 | 0 | 0 | 111.2 | V51 L53 L60 N71 I93 M94 I117 | V51-F58 HydrophobicContact CB-CD2 4.01Å; V51-F58 HydrophobicContact CB-CE1 4.18Å; V51-F58 HydrophobicContact CB-CE2 3.57Å; V51-F58 HydrophobicContact CB-CG 4.48Å; V51-F58 HydrophobicContact CB-CZ 3.69Å; V51-F58 HydrophobicContact CG1-CE1 4.07Å; V51-F58 HydrophobicContact CG1-CE2 3.96Å; V51-F58 HydrophobicContact CG1-CZ 3.57Å; V51-F58 HydrophobicContact CG2-CD2 4.24Å; V51-F58 HydrophobicContact CG2-CE2 3.7Å; V51-F58 HydrophobicContact CG2-CZ 4.2Å; V51-F58 PolarHBondContact N-O 2.81Å; V51-F58 PolarHBondContact O-N 2.82Å; L53-F58 HydrophobicContact CD1-CE1 3.75Å; L53-F58 HydrophobicContact CD1-CZ 3.81Å; L53-F58 HydrophobicContact CG-CE1 4.02Å; L53-F58 HydrophobicContact CG-CZ 4.27Å; F58-L60 HydrophobicContact CD2-CD1 4.48Å; F58-L60 HydrophobicContact CD2-CD2 4.01Å; F58-L60 HydrophobicContact CD2-CG 3.9Å; F58-L60 HydrophobicContact CE2-CD1 3.83Å; F58-L60 HydrophobicContact CE2-CD2 3.98Å; F58-L60 HydrophobicContact CE2-CG 3.75Å; F58-N71 WeakPolarHBondContact CB-OD1 3.49Å; F58-N71 VanDerWaalsContact CD2-OD1 3.28Å; F58-N71 WeakPolarHBondContact CD2-OD1 3.42Å; F58-I93 HydrophobicContact CD2-CD1 3.68Å; F58-I93 HydrophobicContact CE1-CD1 4.43Å; F58-I93 HydrophobicContact CE2-CD1 3.33Å; F58-I93 HydrophobicContact CE2-CG1 4.34Å; F58-I93 HydrophobicContact CG-CD1 4.38Å; F58-I93 HydrophobicContact CZ-CD1 3.74Å; F58-I93 HydrophobicContact CZ-CG1 4.29Å; F58-I93 HydrophobicContact CZ-CG2 4.4Å; F58-M94 HydrophobicContact CD1-CE 3.94Å; F58-M94 HydrophobicContact CD1-SD 3.93Å; F58-M94 HydrophobicContact CE1-CE 4.47Å; F58-M94 HydrophobicContact CE1-SD 3.9Å; F58-M94 HydrophobicContact CG-CE 4.44Å; F58-I117 HydrophobicContact CE2-CD1 4.46Å; F58-I117 HydrophobicContact CZ-CD1 4.26Å |
| 59 | S | 87.9 | Confident | 87.7 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 133.4 | 178 | -159.4 | 0 | 0 | 0 | 0 | 109.5 | M38 Y40 V48 W49 N50 N71 N72 | M38-S59 WeakPolarHBondContact O-CB 3.11Å; Y40-S59 WeakPolarHBondContact CD2-OG 3.36Å; Y40-S59 WeakPolarHBondContact CE2-O 3.38Å; V48-S59 WeakPolarHBondContact CG1-OG 3.26Å; W49-S59 CarbonylContact O-C 3.6Å; W49-S59 WeakPolarHBondContact O-CA 3.47Å; N50-S59 WeakPolarHBondContact OD1-CB 3.34Å; N50-S59 PolarHBondContact OD1-OG 2.98Å; S59-N71 WeakPolarHBondContact O-CA 3.42Å; S59-N71 PolarHBondContact O-OD1 3.33Å; S59-N72 PolarHBondContact N-OD1 2.85Å; S59-N72 PolarHBondContact O-N 2.76Å |
| 60 | L | 90.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 130.4 | 173.9 | -67.3 | 177 | 0 | 0 | 0 | 109.3 | V48 W49 V51 F58 F69 W70 N71 I76 F91 I93 L115 I117 | V48-L60 CarbonylContact C-O 3.56Å; V48-L60 VanDerWaalsContact CA-O 3.29Å; V48-L60 WeakPolarHBondContact CA-O 3.46Å; W49-L60 HydrophobicContact CB-CB 4.43Å; W49-L60 PolarHBondContact N-O 2.77Å; W49-L60 PolarHBondContact O-N 2.98Å; V51-L60 HydrophobicContact CG2-CD1 3.77Å; V51-L60 HydrophobicContact CG2-CG 4.11Å; F58-L60 HydrophobicContact CD2-CD1 4.48Å; F58-L60 HydrophobicContact CD2-CD2 4.01Å; F58-L60 HydrophobicContact CD2-CG 3.9Å; F58-L60 HydrophobicContact CE2-CD1 3.83Å; F58-L60 HydrophobicContact CE2-CD2 3.98Å; F58-L60 HydrophobicContact CE2-CG 3.75Å; L60-F69 HydrophobicContact CB-CE1 4.15Å; L60-F69 HydrophobicContact CB-CE2 4.4Å; L60-F69 HydrophobicContact CB-CZ 3.75Å; L60-F69 HydrophobicContact CD1-CE1 3.82Å; L60-F69 HydrophobicContact CD1-CZ 3.74Å; L60-F69 HydrophobicContact CD2-CD1 4.47Å; L60-F69 HydrophobicContact CD2-CE1 3.72Å; L60-F69 HydrophobicContact CD2-CZ 4.21Å; L60-F69 HydrophobicContact CG-CE1 4.11Å; L60-F69 HydrophobicContact CG-CZ 4.11Å; L60-W70 CarbonylContact C-O 3.54Å; L60-W70 VanDerWaalsContact CA-O 3.25Å; L60-W70 WeakPolarHBondContact CA-O 3.39Å; L60-N71 HydrophobicContact CD2-CB 3.62Å; L60-I76 HydrophobicContact CD2-CD1 3.89Å; L60-F91 HydrophobicContact CD1-CE2 4.42Å; L60-F91 HydrophobicContact CD1-CZ 4.17Å; L60-I93 HydrophobicContact CD2-CD1 3.9Å; L60-L115 HydrophobicContact CD1-CD2 3.71Å; L60-I117 HydrophobicContact CD1-CD1 4.12Å |
| 61 | A | 90.4 | Very high | 87.8 | Confident | 3 Ų | 3 | 49.4 Ų | 49.4 | 3% | 0.025 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 132.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y40 V46 I47 V48 F69 W70 | Y40-A61 HydrophobicContact CD1-CB 3.69Å; Y40-A61 HydrophobicContact CD2-CB 3.53Å; Y40-A61 HydrophobicContact CE1-CB 3.84Å; Y40-A61 HydrophobicContact CE2-CB 3.71Å; Y40-A61 HydrophobicContact CG-CB 3.51Å; V46-A61 HydrophobicContact CG1-CB 4.03Å; I47-A61 CarbonylContact O-C 3.58Å; I47-A61 VanDerWaalsContact O-CA 3.31Å; I47-A61 WeakPolarHBondContact O-CA 3.32Å; V48-A61 HydrophobicContact CG2-CB 4.39Å; A61-F69 CarbonylContact O-C 3.55Å; A61-F69 WeakPolarHBondContact O-CA 3.29Å; A61-W70 HydrophobicContact CB-CB 4.43Å; A61-W70 PolarHBondContact N-O 2.76Å; A61-W70 PolarHBondContact O-N 2.75Å |
| 62 | Y | 92.1 | Very high | 87.7 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 0% | 0.004 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 120.3 | 172.4 | 179.3 | -109.4 | 0 | 0 | 0 | 110.3 | V46 I47 K64 H67 F69 L100 I102 Y113 | V46-Y62 WeakPolarHBondContact CA-O 3.49Å; I47-Y62 PolarHBondContact N-O 2.88Å; I47-Y62 PolarHBondContact O-N 3.24Å; Y62-K64 HydrophobicContact CD1-CG 4.26Å; Y62-K64 HydrophobicContact CE1-CB 4.45Å; Y62-K64 HydrophobicContact CE1-CG 4.13Å; Y62-H67 AromaticContact CZ-ND1 3.77Å; Y62-H67 PolarHBondContact OH-ND1 2.77Å; Y62-F69 AromaticContact CD2-CD2 3.86Å; Y62-F69 HydrophobicContact CD2-CD2 3.86Å; Y62-F69 HydrophobicContact CG-CD2 4.24Å; Y62-L100 HydrophobicContact CD1-CD2 4.22Å; Y62-L100 HydrophobicContact CD2-CD2 3.53Å; Y62-L100 HydrophobicContact CE1-CD2 4.44Å; Y62-L100 HydrophobicContact CE2-CD2 3.75Å; Y62-L100 HydrophobicContact CG-CD2 3.74Å; Y62-I102 HydrophobicContact CE1-CD1 3.86Å; Y62-I102 WeakPolarHBondContact OH-CD1 3.48Å; Y62-Y113 HydrophobicContact CD1-CD1 4.31Å; Y62-Y113 HydrophobicContact CD1-CE1 4.18Å; Y62-Y113 HydrophobicContact CE1-CD1 4.21Å; Y62-Y113 AromaticContact CE1-CE1 3.77Å; Y62-Y113 HydrophobicContact CE1-CE1 3.77Å |
| 63 | C | 90.1 | Very high | 87.5 | Confident | 20 Ų | 20 | 52.1 Ų | 52.1 | 14% | 0.135 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 122.2 | 171.7 | -175.8 | 0 | 0 | 0 | 0 | 109.6 | T66 H67 T68 | C63-T66 VanDerWaalsContact CB-OG1 3.29Å; C63-T66 WeakPolarHBondContact CB-OG1 3.29Å; C63-T66 PolarHBondContact SG-OG1 2.91Å; C63-H67 WeakPolarHBondContact O-CA 3.31Å; C63-H67 PolarHBondContact O-N 2.75Å; C63-T68 PolarHBondContact N-O 3.38Å |
| 64 | K | 89.4 | Confident | 87.7 | Confident | 52 Ų | 52 | 57 Ų | 57 | 23% | 0.226 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -41.2 | -175.9 | -57.6 | 167.5 | -177.6 | 169 | 0 | 111.8 | E44 N45 Y62 H67 Y113 | E44-K64 PolarHBondContact O-NZ 2.92Å; N45-K64 WeakPolarHBondContact O-CG 3.4Å; N45-K64 PolarHBondContact O-N 3.32Å; N45-K64 WeakPolarHBondContact OD1-CB 3.37Å; N45-K64 PolarHBondContact OD1-N 3.26Å; Y62-K64 HydrophobicContact CD1-CG 4.26Å; Y62-K64 HydrophobicContact CE1-CB 4.45Å; Y62-K64 HydrophobicContact CE1-CG 4.13Å; K64-H67 PolarHBondContact O-CE1 2.81Å; K64-H67 PolarHBondContact O-ND1 2.81Å; K64-Y113 WeakPolarHBondContact CD-OH 3.41Å; K64-Y113 WeakPolarHBondContact CE-OH 3.4Å; K64-Y113 HydrophobicContact CG-CE1 4.3Å; K64-Y113 WeakPolarHBondContact CG-OH 3.28Å |
| 65 | D | 88.1 | Confident | 88.1 | Confident | 126 Ų | 126 | 59.3 Ų | 59.3 | 67% | 0.674 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -45.2 | -177.8 | -70.6 | -14.3 | 0 | 0 | 0 | 112.8 | N45 | N45-D65 VanDerWaalsContact CG-CG 3.42Å; N45-D65 VanDerWaalsContact CG-OD2 3.25Å; N45-D65 PolarHBondContact ND2-OD2 2.8Å; N45-D65 PolarHBondContact OD1-N 3.48Å; N45-D65 PolarHBondContact OD1-OD1 2.9Å; N45-D65 PolarHBondContact OD1-OD2 3.36Å |
| 66 | T | 88.7 | Confident | 88.6 | Confident | 85 Ų | 85 | 55.6 Ų | 55.6 | 52% | 0.521 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -7.9 | -177.1 | 56.3 | 0 | 0 | 0 | 0 | 112.7 | C63 T68 | C63-T66 VanDerWaalsContact CB-OG1 3.29Å; C63-T66 WeakPolarHBondContact CB-OG1 3.29Å; C63-T66 PolarHBondContact SG-OG1 2.91Å; T66-T68 PolarHBondContact O-N 2.77Å; T66-T68 VanDerWaalsContact O-N 3.11Å; T66-T68 PolarHBondContact OG1-OG1 2.8Å |
| 67 | H | 88.1 | Confident | 88.9 | Confident | 90 Ų | 90 | 60.8 Ų | 60.8 | 42% | 0.417 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 32 | -171.7 | -63.1 | -62 | 0 | 0 | 0 | 113.4 | Y62 C63 K64 | Y62-H67 AromaticContact CZ-ND1 3.77Å; Y62-H67 PolarHBondContact OH-ND1 2.77Å; C63-H67 WeakPolarHBondContact O-CA 3.31Å; C63-H67 PolarHBondContact O-N 2.75Å; K64-H67 PolarHBondContact O-CE1 2.81Å; K64-H67 PolarHBondContact O-ND1 2.81Å |
| 68 | T | 89.9 | Confident | 89.2 | Confident | 30 Ų | 30 | 56.9 Ų | 56.9 | 18% | 0.184 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 141.4 | 178.4 | 52 | 0 | 0 | 0 | 0 | 110.1 | C63 T66 W70 | C63-T68 PolarHBondContact N-O 3.38Å; T66-T68 PolarHBondContact O-N 2.77Å; T66-T68 VanDerWaalsContact O-N 3.11Å; T66-T68 PolarHBondContact OG1-OG1 2.8Å; T68-W70 PolarHBondContact OG1-NE1 2.76Å |
| 69 | F | 91.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 134.2 | 178.1 | -159.5 | -114.5 | 0 | 0 | 0 | 109.4 | W49 L60 A61 Y62 I76 L78 F91 L100 L115 | W49-F69 HydrophobicContact CE3-CE2 4.42Å; W49-F69 HydrophobicContact CZ3-CE2 4.06Å; L60-F69 HydrophobicContact CB-CE1 4.15Å; L60-F69 HydrophobicContact CB-CE2 4.4Å; L60-F69 HydrophobicContact CB-CZ 3.75Å; L60-F69 HydrophobicContact CD1-CE1 3.82Å; L60-F69 HydrophobicContact CD1-CZ 3.74Å; L60-F69 HydrophobicContact CD2-CD1 4.47Å; L60-F69 HydrophobicContact CD2-CE1 3.72Å; L60-F69 HydrophobicContact CD2-CZ 4.21Å; L60-F69 HydrophobicContact CG-CE1 4.11Å; L60-F69 HydrophobicContact CG-CZ 4.11Å; A61-F69 CarbonylContact O-C 3.55Å; A61-F69 WeakPolarHBondContact O-CA 3.29Å; Y62-F69 AromaticContact CD2-CD2 3.86Å; Y62-F69 HydrophobicContact CD2-CD2 3.86Å; Y62-F69 HydrophobicContact CG-CD2 4.24Å; F69-I76 HydrophobicContact CD1-CB 4.16Å; F69-I76 HydrophobicContact CD1-CD1 3.78Å; F69-I76 HydrophobicContact CE1-CD1 4.09Å; F69-I76 PolarHBondContact O-N 2.78Å; F69-L78 HydrophobicContact CB-CD1 3.64Å; F69-L78 HydrophobicContact CB-CD2 3.61Å; F69-L78 HydrophobicContact CB-CG 3.81Å; F69-L78 HydrophobicContact CD1-CD2 4.04Å; F69-L78 HydrophobicContact CG-CD2 3.98Å; F69-F91 HydrophobicContact CD1-CD1 4.36Å; F69-F91 HydrophobicContact CD1-CE1 4.19Å; F69-F91 HydrophobicContact CD1-CE2 4.35Å; F69-F91 HydrophobicContact CD1-CZ 4.19Å; F69-F91 HydrophobicContact CE1-CD1 4.14Å; F69-F91 HydrophobicContact CE1-CD2 4.24Å; F69-F91 AromaticContact CE1-CE1 3.54Å; F69-F91 HydrophobicContact CE1-CE1 3.54Å; F69-F91 AromaticContact CE1-CE2 3.65Å; F69-F91 HydrophobicContact CE1-CE2 3.65Å; F69-F91 HydrophobicContact CE1-CG 4.46Å; F69-F91 AromaticContact CE1-CZ 3.26Å; F69-F91 HydrophobicContact CE1-CZ 3.26Å; F69-F91 AromaticContact CZ-CE1 3.91Å; F69-F91 HydrophobicContact CZ-CE1 3.91Å; F69-F91 AromaticContact CZ-CZ 3.76Å; F69-F91 HydrophobicContact CZ-CZ 3.76Å; F69-L100 HydrophobicContact CD2-CD2 4.25Å; F69-L100 HydrophobicContact CE2-CD2 4.15Å; F69-L115 HydrophobicContact CZ-CD1 4.09Å |
| 70 | W | 91.2 | Very high | 89.6 | Confident | 92 Ų | 92 | 66.8 Ų | 66.8 | 35% | 0.348 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 145.4 | -174.2 | -64.6 | 81.3 | 0 | 0 | 0 | 110.3 | Y40 L60 A61 T68 D73 E74 Q75 | Y40-W70 HydrophobicContact CE1-CB 4.43Å; Y40-W70 WeakPolarHBondContact OH-CB 3.21Å; L60-W70 CarbonylContact C-O 3.54Å; L60-W70 VanDerWaalsContact CA-O 3.25Å; L60-W70 WeakPolarHBondContact CA-O 3.39Å; A61-W70 HydrophobicContact CB-CB 4.43Å; A61-W70 PolarHBondContact N-O 2.76Å; A61-W70 PolarHBondContact O-N 2.75Å; T68-W70 PolarHBondContact OG1-NE1 2.76Å; W70-D73 WeakPolarHBondContact CZ3-O 3.23Å; W70-E74 CarbonylContact C-O 3.55Å; W70-E74 WeakPolarHBondContact CA-O 3.34Å; W70-Q75 HydrophobicContact CD2-CB 4.18Å; W70-Q75 HydrophobicContact CE3-CB 4.07Å; W70-Q75 HydrophobicContact CH2-CB 4.15Å; W70-Q75 HydrophobicContact CZ2-CB 4.26Å; W70-Q75 HydrophobicContact CZ3-CB 4.06Å |
| 71 | N | 89.6 | Confident | 89.7 | Confident | 17 Ų | 17 | 69.4 Ų | 69.4 | 9% | 0.091 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 111.2 | 170.5 | 172.8 | 36.7 | 0 | 0 | 0 | 108.7 | F58 S59 L60 D73 E74 I76 I93 | F58-N71 WeakPolarHBondContact CB-OD1 3.49Å; F58-N71 VanDerWaalsContact CD2-OD1 3.28Å; F58-N71 WeakPolarHBondContact CD2-OD1 3.42Å; S59-N71 WeakPolarHBondContact O-CA 3.42Å; S59-N71 PolarHBondContact O-OD1 3.33Å; L60-N71 HydrophobicContact CD2-CB 3.62Å; N71-D73 VanDerWaalsContact C-N 3.28Å; N71-D73 PolarHBondContact O-N 2.8Å; N71-E74 PolarHBondContact N-O 2.8Å; N71-E74 PolarHBondContact O-N 2.88Å; N71-I76 HydrophobicContact CB-CD1 3.47Å; N71-I76 VanDerWaalsContact CB-CD1 3.47Å; N71-I76 HydrophobicContact CB-CG1 3.99Å; N71-I93 HydrophobicContact CB-CD1 3.96Å; N71-I93 WeakPolarHBondContact ND2-CD1 3.39Å |
| 72 | N | 84.7 | Confident | 89.5 | Confident | 43 Ų | 43 | 73.3 Ų | 73.3 | 23% | 0.23 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | -77 | -175.4 | -61.4 | -28.7 | 0 | 0 | 0 | 114.3 | M38 Y40 S59 | M38-N72 HydrophobicContact CE-CB 3.55Å; M38-N72 WeakPolarHBondContact CE-O 3.36Å; Y40-N72 WeakPolarHBondContact OH-CA 3.45Å; Y40-N72 PolarHBondContact OH-N 3.35Å; Y40-N72 PolarHBondContact OH-O 2.94Å; S59-N72 PolarHBondContact N-OD1 2.85Å; S59-N72 PolarHBondContact O-N 2.76Å |
| 73 | D | 83.5 | Confident | 89.2 | Confident | 118 Ų | 118 | 80 Ų | 80 | 63% | 0.631 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.1 | 4.2 | 174.3 | -79.9 | -34.7 | 0 | 0 | 0 | 112.4 | M38 W70 N71 | M38-D73 HydrophobicContact CE-CB 4.23Å; M38-D73 VanDerWaalsContact CE-CG 3.41Å; M38-D73 VanDerWaalsContact CE-OD2 3.29Å; M38-D73 WeakPolarHBondContact CE-OD2 3.44Å; W70-D73 WeakPolarHBondContact CZ3-O 3.23Å; N71-D73 VanDerWaalsContact C-N 3.28Å; N71-D73 PolarHBondContact O-N 2.8Å |
| 74 | E | 88.2 | Confident | 88.8 | Confident | 144 Ų | 144 | 88.4 Ų | 88.4 | 67% | 0.673 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 126.1 | -175.4 | -64.9 | -172.4 | 168.2 | 0 | 0 | 110.5 | W70 N71 I76 | W70-E74 CarbonylContact C-O 3.55Å; W70-E74 WeakPolarHBondContact CA-O 3.34Å; N71-E74 PolarHBondContact N-O 2.8Å; N71-E74 PolarHBondContact O-N 2.88Å; E74-I76 PolarHBondContact O-N 3.11Å |
| 75 | Q | 89.9 | Confident | 88.7 | Confident | 119 Ų | 119 | 89.5 Ų | 89.5 | 56% | 0.556 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 126 | 174.1 | -173.8 | -179.3 | -9.4 | 0 | 0 | 109.8 | W70 | W70-Q75 HydrophobicContact CD2-CB 4.18Å; W70-Q75 HydrophobicContact CE3-CB 4.07Å; W70-Q75 HydrophobicContact CH2-CB 4.15Å; W70-Q75 HydrophobicContact CZ2-CB 4.26Å; W70-Q75 HydrophobicContact CZ3-CB 4.06Å |
| 76 | I | 90.4 | Very high | 88.8 | Confident | 24 Ų | 24 | 86.6 Ų | 86.6 | 12% | 0.123 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 136.9 | 176.6 | -65 | 169.6 | 0 | 0 | 0 | 109.7 | L60 F69 N71 E74 L78 F91 I93 | L60-I76 HydrophobicContact CD2-CD1 3.89Å; F69-I76 HydrophobicContact CD1-CB 4.16Å; F69-I76 HydrophobicContact CD1-CD1 3.78Å; F69-I76 HydrophobicContact CE1-CD1 4.09Å; F69-I76 PolarHBondContact O-N 2.78Å; N71-I76 HydrophobicContact CB-CD1 3.47Å; N71-I76 VanDerWaalsContact CB-CD1 3.47Å; N71-I76 HydrophobicContact CB-CG1 3.99Å; E74-I76 PolarHBondContact O-N 3.11Å; I76-L78 HydrophobicContact CG2-CD2 4.42Å; I76-L78 PolarHBondContact O-N 2.92Å; I76-F91 HydrophobicContact CD1-CD2 4.21Å; I76-F91 HydrophobicContact CD1-CE2 4.34Å; I76-F91 HydrophobicContact CG2-CB 3.61Å; I76-F91 HydrophobicContact CG2-CD2 3.97Å; I76-F91 HydrophobicContact CG2-CG 4.03Å; I76-I93 HydrophobicContact CD1-CD1 4.16Å |
| 77 | Q | 90.2 | Very high | 88.9 | Confident | 181 Ų | 181 | 85 Ų | 85 | 85% | 0.846 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -74.3 | 122.6 | 169.9 | -170.3 | 173.9 | 17.3 | 0 | 0 | 110.3 | ||
| 78 | L | 90.5 | Very high | 89.1 | Confident | 38 Ų | 38 | 83.7 Ų | 83.7 | 20% | 0.199 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -100.9 | 140.5 | 176.9 | -57.4 | 176.9 | 0 | 0 | 0 | 110.9 | F69 I76 Y89 F91 | F69-L78 HydrophobicContact CB-CD1 3.64Å; F69-L78 HydrophobicContact CB-CD2 3.61Å; F69-L78 HydrophobicContact CB-CG 3.81Å; F69-L78 HydrophobicContact CD1-CD2 4.04Å; F69-L78 HydrophobicContact CG-CD2 3.98Å; I76-L78 HydrophobicContact CG2-CD2 4.42Å; I76-L78 PolarHBondContact O-N 2.92Å; L78-Y89 HydrophobicContact CB-CD1 3.9Å; L78-Y89 HydrophobicContact CD1-CD1 3.57Å; L78-Y89 HydrophobicContact CD1-CE1 4.24Å; L78-Y89 HydrophobicContact CD1-CG 4.09Å; L78-Y89 HydrophobicContact CG-CD1 4.34Å; L78-F91 HydrophobicContact CD2-CB 3.84Å; L78-F91 HydrophobicContact CD2-CD1 3.85Å; L78-F91 HydrophobicContact CD2-CG 4.08Å |
| 79 | H | 92.4 | Very high | 89.3 | Confident | 124 Ų | 124 | 82.8 Ų | 82.8 | 57% | 0.574 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 112.7 | 165.1 | -176.2 | 72.8 | 0 | 0 | 0 | 109.7 | Y89 T90 | H79-Y89 WeakPolarHBondContact O-CA 3.43Å; H79-T90 PolarHBondContact N-O 2.75Å; H79-T90 PolarHBondContact O-N 2.94Å; H79-T90 PolarHBondContact O-OG1 2.84Å |
| 80 | K | 91.9 | Very high | 89.4 | Confident | 95 Ų | 95 | 84.4 Ų | 84.4 | 41% | 0.413 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 129.5 | -176.6 | -177.2 | 178.1 | -179.2 | 161.8 | 0 | 111.1 | E88 Y89 | K80-E88 CarbonylContact C-O 3.53Å; K80-E88 WeakPolarHBondContact CA-O 3.48Å; K80-Y89 HydrophobicContact CB-CD1 3.96Å; K80-Y89 HydrophobicContact CB-CE1 3.85Å; K80-Y89 HydrophobicContact CD-CE1 3.79Å; K80-Y89 HydrophobicContact CG-CD1 4.21Å; K80-Y89 HydrophobicContact CG-CE1 3.8Å; K80-Y89 PolarHBondContact NZ-OH 2.81Å |
| 81 | T | 91.9 | Very high | 89.5 | Confident | 56 Ų | 56 | 80.4 Ų | 80.4 | 34% | 0.344 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 119.9 | 167.8 | -48.1 | 0 | 0 | 0 | 0 | 107.8 | E88 | T81-E88 PolarHBondContact N-O 2.99Å; T81-E88 PolarHBondContact O-N 2.86Å |
| 82 | S | 87.5 | Confident | 89.6 | Confident | 85 Ų | 85 | 84.2 Ų | 84.2 | 59% | 0.594 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 127.4 | 175.5 | 54.1 | 0 | 0 | 0 | 0 | 110.5 | ||
| 83 | K | 84.6 | Confident | 89.8 | Confident | 141 Ų | 141 | 82.6 Ų | 82.6 | 61% | 0.613 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 153.8 | 161.6 | -68.3 | 177.6 | -179.3 | 171.6 | 0 | 107.6 | D85 I86 | K83-D85 PolarHBondContact O-N 3.23Å; K83-I86 PolarHBondContact N-O 2.89Å; K83-I86 CarbonylContact O-C 3.53Å; K83-I86 PolarHBondContact O-N 3.48Å |
| 84 | E | 83.3 | Confident | 89.9 | Confident | 196 Ų | 196 | 81.3 Ų | 81.3 | 92% | 0.916 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -22.1 | -67 | -173 | -65.8 | 171.1 | 175.7 | 0 | 0 | 114.7 | ||
| 85 | D | 86.3 | Confident | 89.8 | Confident | 76 Ų | 76 | 82.5 Ų | 82.5 | 41% | 0.406 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -2.6 | -178 | -62.1 | -32.5 | 0 | 0 | 0 | 114.6 | K83 L103 T104 | K83-D85 PolarHBondContact O-N 3.23Å; D85-L103 HydrophobicContact CB-CD1 4.33Å; D85-T104 PolarHBondContact O-N 2.64Å; D85-T104 PolarHBondContact O-OG1 2.8Å |
| 86 | I | 89.6 | Confident | 89.8 | Confident | 64 Ų | 64 | 79.5 Ų | 79.5 | 33% | 0.328 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 120.8 | -170.7 | -57.2 | 173.9 | 0 | 0 | 0 | 110.9 | K83 E88 I102 L103 | K83-I86 PolarHBondContact N-O 2.89Å; K83-I86 CarbonylContact O-C 3.53Å; K83-I86 PolarHBondContact O-N 3.48Å; I86-E88 HydrophobicContact CG2-CG 3.86Å; I86-I102 WeakPolarHBondContact CA-O 3.4Å; I86-L103 HydrophobicContact CD1-CD1 4.17Å; I86-L103 HydrophobicContact CG1-CD1 3.54Å |
| 87 | Q | 91.4 | Very high | 89.9 | Confident | 53 Ų | 53 | 84.3 Ų | 84.3 | 25% | 0.248 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 121 | 168.4 | -57.5 | -174.1 | 12 | 0 | 0 | 109.9 | Y89 S101 I102 | Q87-Y89 HydrophobicContact CB-CE2 4.01Å; Q87-Y89 PolarHBondContact OE1-OH 3.13Å; Q87-S101 CarbonylContact O-C 3.58Å; Q87-S101 WeakPolarHBondContact O-CA 3.45Å; Q87-I102 HydrophobicContact CB-CB 4.35Å; Q87-I102 PolarHBondContact N-O 2.81Å; Q87-I102 PolarHBondContact O-N 3.37Å |
| 88 | E | 93.4 | Very high | 90.1 | Very high | 62 Ų | 62 | 75.7 Ų | 75.7 | 29% | 0.29 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 129.5 | 176.6 | -61.8 | -175.5 | 161.8 | 0 | 0 | 109.9 | K80 T81 I86 L100 | K80-E88 CarbonylContact C-O 3.53Å; K80-E88 WeakPolarHBondContact CA-O 3.48Å; T81-E88 PolarHBondContact N-O 2.99Å; T81-E88 PolarHBondContact O-N 2.86Å; I86-E88 HydrophobicContact CG2-CG 3.86Å; E88-L100 CarbonylContact C-O 3.54Å; E88-L100 WeakPolarHBondContact CA-O 3.41Å |
| 89 | Y | 94 | Very high | 90.3 | Very high | 10 Ų | 10 | 75.3 Ų | 75.3 | 4% | 0.039 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 112.1 | 174.1 | -66 | -96.5 | 0 | 0 | 0 | 107.7 | L78 H79 K80 Q87 V99 L100 I102 | L78-Y89 HydrophobicContact CB-CD1 3.9Å; L78-Y89 HydrophobicContact CD1-CD1 3.57Å; L78-Y89 HydrophobicContact CD1-CE1 4.24Å; L78-Y89 HydrophobicContact CD1-CG 4.09Å; L78-Y89 HydrophobicContact CG-CD1 4.34Å; H79-Y89 WeakPolarHBondContact O-CA 3.43Å; K80-Y89 HydrophobicContact CB-CD1 3.96Å; K80-Y89 HydrophobicContact CB-CE1 3.85Å; K80-Y89 HydrophobicContact CD-CE1 3.79Å; K80-Y89 HydrophobicContact CG-CD1 4.21Å; K80-Y89 HydrophobicContact CG-CE1 3.8Å; K80-Y89 PolarHBondContact NZ-OH 2.81Å; Q87-Y89 HydrophobicContact CB-CE2 4.01Å; Q87-Y89 PolarHBondContact OE1-OH 3.13Å; Y89-V99 CarbonylContact O-C 3.58Å; Y89-V99 WeakPolarHBondContact O-CA 3.41Å; Y89-L100 PolarHBondContact N-O 2.83Å; Y89-L100 PolarHBondContact O-N 3.45Å; Y89-I102 HydrophobicContact CD2-CD1 3.96Å; Y89-I102 HydrophobicContact CD2-CG1 4.36Å; Y89-I102 HydrophobicContact CE2-CD1 3.55Å; Y89-I102 HydrophobicContact CE2-CG1 4.28Å |
| 90 | T | 93.9 | Very high | 90.3 | Very high | 35 Ų | 35 | 69.4 Ų | 69.4 | 22% | 0.215 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 140.9 | 178 | 57.6 | 0 | 0 | 0 | 0 | 109.9 | H79 G98 V99 | H79-T90 PolarHBondContact N-O 2.75Å; H79-T90 PolarHBondContact O-N 2.94Å; H79-T90 PolarHBondContact O-OG1 2.84Å; T90-G98 WeakPolarHBondContact CA-O 3.39Å; T90-V99 HydrophobicContact CG2-CG1 4.29Å; T90-V99 HydrophobicContact CG2-CG2 4.12Å |
| 91 | F | 93.3 | Very high | 90.4 | Very high | 8 Ų | 8 | 66.2 Ų | 66.2 | 4% | 0.035 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 167.3 | 179.9 | 64.3 | -86.9 | 0 | 0 | 0 | 110.6 | L60 F69 I76 L78 I93 G98 L115 | L60-F91 HydrophobicContact CD1-CE2 4.42Å; L60-F91 HydrophobicContact CD1-CZ 4.17Å; F69-F91 HydrophobicContact CD1-CD1 4.36Å; F69-F91 HydrophobicContact CD1-CE1 4.19Å; F69-F91 HydrophobicContact CD1-CE2 4.35Å; F69-F91 HydrophobicContact CD1-CZ 4.19Å; F69-F91 HydrophobicContact CE1-CD1 4.14Å; F69-F91 HydrophobicContact CE1-CD2 4.24Å; F69-F91 AromaticContact CE1-CE1 3.54Å; F69-F91 HydrophobicContact CE1-CE1 3.54Å; F69-F91 AromaticContact CE1-CE2 3.65Å; F69-F91 HydrophobicContact CE1-CE2 3.65Å; F69-F91 HydrophobicContact CE1-CG 4.46Å; F69-F91 AromaticContact CE1-CZ 3.26Å; F69-F91 HydrophobicContact CE1-CZ 3.26Å; F69-F91 AromaticContact CZ-CE1 3.91Å; F69-F91 HydrophobicContact CZ-CE1 3.91Å; F69-F91 AromaticContact CZ-CZ 3.76Å; F69-F91 HydrophobicContact CZ-CZ 3.76Å; I76-F91 HydrophobicContact CD1-CD2 4.21Å; I76-F91 HydrophobicContact CD1-CE2 4.34Å; I76-F91 HydrophobicContact CG2-CB 3.61Å; I76-F91 HydrophobicContact CG2-CD2 3.97Å; I76-F91 HydrophobicContact CG2-CG 4.03Å; L78-F91 HydrophobicContact CD2-CB 3.84Å; L78-F91 HydrophobicContact CD2-CD1 3.85Å; L78-F91 HydrophobicContact CD2-CG 4.08Å; F91-I93 HydrophobicContact CD2-CB 4.36Å; F91-I93 HydrophobicContact CD2-CG2 4.26Å; F91-I93 HydrophobicContact CE2-CB 4.22Å; F91-I93 HydrophobicContact CE2-CG2 3.77Å; F91-G98 PolarHBondContact N-O 3.44Å; F91-G98 PolarHBondContact O-N 2.81Å; F91-L115 HydrophobicContact CE1-CD1 3.93Å; F91-L115 HydrophobicContact CZ-CD1 3.84Å |
| 92 | S | 90.7 | Very high | 90.3 | Very high | 97 Ų | 97 | 63.9 Ų | 63.9 | 68% | 0.678 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 132.6 | 175.5 | -59.2 | 0 | 0 | 0 | 0 | 109.6 | H96 | S92-H96 WeakPolarHBondContact CA-O 3.46Å |
| 93 | I | 89.5 | Confident | 90.4 | Very high | 9 Ų | 9 | 62.5 Ų | 62.5 | 5% | 0.046 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 126.2 | 178.1 | -179.2 | 162.7 | 0 | 0 | 0 | 108.8 | F58 L60 N71 I76 F91 N95 H96 | F58-I93 HydrophobicContact CD2-CD1 3.68Å; F58-I93 HydrophobicContact CE1-CD1 4.43Å; F58-I93 HydrophobicContact CE2-CD1 3.33Å; F58-I93 HydrophobicContact CE2-CG1 4.34Å; F58-I93 HydrophobicContact CG-CD1 4.38Å; F58-I93 HydrophobicContact CZ-CD1 3.74Å; F58-I93 HydrophobicContact CZ-CG1 4.29Å; F58-I93 HydrophobicContact CZ-CG2 4.4Å; L60-I93 HydrophobicContact CD2-CD1 3.9Å; N71-I93 HydrophobicContact CB-CD1 3.96Å; N71-I93 WeakPolarHBondContact ND2-CD1 3.39Å; I76-I93 HydrophobicContact CD1-CD1 4.16Å; F91-I93 HydrophobicContact CD2-CB 4.36Å; F91-I93 HydrophobicContact CD2-CG2 4.26Å; F91-I93 HydrophobicContact CE2-CB 4.22Å; F91-I93 HydrophobicContact CE2-CG2 3.77Å; I93-N95 PolarHBondContact O-N 2.67Å; I93-N95 VanDerWaalsContact O-N 3.08Å; I93-H96 PolarHBondContact N-O 3Å; I93-H96 WeakPolarHBondContact O-CA 3.41Å; I93-H96 VanDerWaalsContact O-CB 3.31Å; I93-H96 WeakPolarHBondContact O-CB 3.39Å; I93-H96 PolarHBondContact O-N 3.21Å |
| 94 | M | 85.8 | Confident | 90.5 | Very high | 90 Ų | 90 | 58.7 Ų | 58.7 | 44% | 0.443 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 39.6 | 177.2 | -59.4 | 176.6 | 179.3 | 0 | 0 | 113.5 | D56 F58 H96 | D56-M94 HydrophobicContact CB-SD 3.97Å; F58-M94 HydrophobicContact CD1-CE 3.94Å; F58-M94 HydrophobicContact CD1-SD 3.93Å; F58-M94 HydrophobicContact CE1-CE 4.47Å; F58-M94 HydrophobicContact CE1-SD 3.9Å; F58-M94 HydrophobicContact CG-CE 4.44Å; M94-H96 PolarHBondContact O-CD2 3Å; M94-H96 PolarHBondContact O-N 2.95Å |
| 95 | N | 85.8 | Confident | 90.2 | Very high | 170 Ų | 170 | 52 Ų | 52 | 91% | 0.909 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.5 | 3.8 | -173.2 | -54.8 | -31.5 | 0 | 0 | 0 | 116.6 | I93 | I93-N95 PolarHBondContact O-N 2.67Å; I93-N95 VanDerWaalsContact O-N 3.08Å |
| 96 | H | 89.6 | Confident | 89.6 | Confident | 55 Ų | 55 | 54.7 Ų | 54.7 | 26% | 0.255 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 145.5 | 170.4 | -60.3 | -75.8 | 0 | 0 | 0 | 110.9 | L53 S92 I93 M94 I117 D118 | L53-H96 HydrophobicContact CD1-CB 4.35Å; L53-H96 VanDerWaalsContact CD1-CD2 3.48Å; L53-H96 WeakPolarHBondContact CD1-CD2 3.38Å; S92-H96 WeakPolarHBondContact CA-O 3.46Å; I93-H96 PolarHBondContact N-O 3Å; I93-H96 WeakPolarHBondContact O-CA 3.41Å; I93-H96 VanDerWaalsContact O-CB 3.31Å; I93-H96 WeakPolarHBondContact O-CB 3.39Å; I93-H96 PolarHBondContact O-N 3.21Å; M94-H96 PolarHBondContact O-CD2 3Å; M94-H96 PolarHBondContact O-N 2.95Å; H96-I117 HydrophobicContact CB-CG2 3.7Å; H96-D118 WeakPolarHBondContact CA-OD1 3.25Å; H96-D118 IonicContact CE1-OD2 3.59Å; H96-D118 IonicContact CG-OD2 3.6Å; H96-D118 IonicContact ND1-OD1 3.89Å; H96-D118 IonicContact ND1-OD2 2.64Å; H96-D118 PolarHBondContact ND1-OD2 3.47Å |
| 97 | K | 92.4 | Very high | 89 | Confident | 126 Ų | 126 | 58.5 Ų | 58.5 | 55% | 0.548 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 115.5 | 177.1 | -177 | -178 | 175.4 | -175.2 | 0 | 109.3 | I117 D118 | K97-I117 WeakPolarHBondContact O-CA 3.39Å; K97-D118 PolarHBondContact N-OD1 3.11Å; K97-D118 PolarHBondContact O-N 2.87Å |
| 98 | G | 93.9 | Very high | 88 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 142.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | T90 F91 C116 | T90-G98 WeakPolarHBondContact CA-O 3.39Å; F91-G98 PolarHBondContact N-O 3.44Å; F91-G98 PolarHBondContact O-N 2.81Å; G98-C116 CarbonylContact C-O 3.57Å; G98-C116 WeakPolarHBondContact CA-O 3.31Å |
| 99 | V | 94.4 | Very high | 87.1 | Confident | 30 Ų | 30 | 65.2 Ų | 65.2 | 18% | 0.182 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 117.6 | 172.3 | -173.7 | 0 | 0 | 0 | 0 | 108.4 | Y89 T90 C116 | Y89-V99 CarbonylContact O-C 3.58Å; Y89-V99 WeakPolarHBondContact O-CA 3.41Å; T90-V99 HydrophobicContact CG2-CG1 4.29Å; T90-V99 HydrophobicContact CG2-CG2 4.12Å; V99-C116 PolarHBondContact N-O 3.32Å; V99-C116 PolarHBondContact O-N 2.72Å |
| 100 | L | 93.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 112.3 | 169.3 | 170.2 | 67.7 | 0 | 0 | 0 | 108.6 | W49 Y62 F69 E88 Y89 I102 K114 L115 | W49-L100 HydrophobicContact CH2-CD1 3.68Å; W49-L100 HydrophobicContact CZ2-CD1 4Å; Y62-L100 HydrophobicContact CD1-CD2 4.22Å; Y62-L100 HydrophobicContact CD2-CD2 3.53Å; Y62-L100 HydrophobicContact CE1-CD2 4.44Å; Y62-L100 HydrophobicContact CE2-CD2 3.75Å; Y62-L100 HydrophobicContact CG-CD2 3.74Å; F69-L100 HydrophobicContact CD2-CD2 4.25Å; F69-L100 HydrophobicContact CE2-CD2 4.15Å; E88-L100 CarbonylContact C-O 3.54Å; E88-L100 WeakPolarHBondContact CA-O 3.41Å; Y89-L100 PolarHBondContact N-O 2.83Å; Y89-L100 PolarHBondContact O-N 3.45Å; L100-I102 HydrophobicContact CD2-CD1 4.46Å; L100-I102 HydrophobicContact CG-CG1 4.25Å; L100-K114 CarbonylContact C-O 3.54Å; L100-K114 WeakPolarHBondContact CA-O 3.48Å; L100-L115 HydrophobicContact CB-CD1 4.36Å |
| 101 | S | 92.3 | Very high | 86.2 | Confident | 27 Ų | 27 | 69.1 Ų | 69.1 | 19% | 0.189 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 128.5 | 175.9 | -58 | 0 | 0 | 0 | 0 | 109.9 | Q87 K114 | Q87-S101 CarbonylContact O-C 3.58Å; Q87-S101 WeakPolarHBondContact O-CA 3.45Å; S101-K114 PolarHBondContact N-O 2.74Å; S101-K114 PolarHBondContact O-N 2.77Å |
| 102 | I | 91.7 | Very high | 85.9 | Confident | 7 Ų | 7 | 71.6 Ų | 71.6 | 4% | 0.036 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 107.9 | 178.1 | -47.8 | -178.3 | 0 | 0 | 0 | 107 | Y62 I86 Q87 Y89 L100 P111 I112 Y113 | Y62-I102 HydrophobicContact CE1-CD1 3.86Å; Y62-I102 WeakPolarHBondContact OH-CD1 3.48Å; I86-I102 WeakPolarHBondContact CA-O 3.4Å; Q87-I102 HydrophobicContact CB-CB 4.35Å; Q87-I102 PolarHBondContact N-O 2.81Å; Q87-I102 PolarHBondContact O-N 3.37Å; Y89-I102 HydrophobicContact CD2-CD1 3.96Å; Y89-I102 HydrophobicContact CD2-CG1 4.36Å; Y89-I102 HydrophobicContact CE2-CD1 3.55Å; Y89-I102 HydrophobicContact CE2-CG1 4.28Å; L100-I102 HydrophobicContact CD2-CD1 4.46Å; L100-I102 HydrophobicContact CG-CG1 4.25Å; I102-P111 HydrophobicContact CG2-CB 4.1Å; I102-I112 WeakPolarHBondContact CA-O 3.44Å; I102-Y113 HydrophobicContact CB-CD1 4.37Å; I102-Y113 HydrophobicContact CB-CE1 4.49Å; I102-Y113 HydrophobicContact CD1-CD1 4.01Å; I102-Y113 HydrophobicContact CD1-CE1 3.88Å; I102-Y113 HydrophobicContact CG1-CD1 3.8Å; I102-Y113 HydrophobicContact CG1-CE1 4.09Å; I102-Y113 HydrophobicContact CG2-CD1 3.93Å; I102-Y113 HydrophobicContact CG2-CE1 3.68Å |
| 103 | L | 89.4 | Confident | 85.9 | Confident | 56 Ų | 56 | 68.8 Ų | 68.8 | 29% | 0.293 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 114.9 | 176.9 | 175.6 | 69.2 | 0 | 0 | 0 | 108.6 | D85 I86 P111 I112 | D85-L103 HydrophobicContact CB-CD1 4.33Å; I86-L103 HydrophobicContact CD1-CD1 4.17Å; I86-L103 HydrophobicContact CG1-CD1 3.54Å; L103-P111 WeakPolarHBondContact O-CA 3.11Å; L103-I112 HydrophobicContact CB-CB 4.37Å; L103-I112 PolarHBondContact N-O 3.13Å; L103-I112 PolarHBondContact O-N 2.65Å |
| 104 | T | 85.4 | Confident | 86 | Confident | 62 Ų | 62 | 72.8 Ų | 72.8 | 38% | 0.38 | 38% | 0.384 | S | S | . | . | trans | -106.1 | 91.2 | 172.6 | 47.1 | 0 | 0 | 0 | 0 | 107.7 | D85 P111 | D85-T104 PolarHBondContact O-N 2.64Å; D85-T104 PolarHBondContact O-OG1 2.8Å; T104-P111 HydrophobicContact CG2-CB 4.01Å | ||
| 105 | N | 78.2 | Confident | 86.3 | Confident | 56 Ų | 56 | 68.5 Ų | 68.5 | 30% | 0.299 | 36% | 0.363 | S | S | . | . | trans | -90.2 | 134.7 | 175.6 | -169.8 | -43.7 | 0 | 0 | 0 | 109.7 | N107 Q108 | N105-N107 PolarHBondContact O-N 2.91Å; N105-N107 VanDerWaalsContact O-N 3.14Å; N105-N107 WeakPolarHBondContact OD1-CB 3.21Å; N105-N107 PolarHBondContact OD1-N 2.84Å; N105-Q108 HydrophobicContact CB-CB 4.4Å; N105-Q108 HydrophobicContact CB-CG 4.46Å; N105-Q108 PolarHBondContact O-N 2.81Å | ||
| 106 | V | 72.7 | Confident | 86.6 | Confident | 131 Ų | 131 | 61.8 Ų | 61.8 | 79% | 0.794 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -30 | 177.6 | -169.2 | 0 | 0 | 0 | 0 | 112.5 | ||
| 107 | N | 77.4 | Confident | 86.8 | Confident | 144 Ų | 144 | 59.3 Ų | 59.3 | 77% | 0.77 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -12.2 | -179.8 | -63.9 | -26.7 | 0 | 0 | 0 | 113.8 | N105 | N105-N107 PolarHBondContact O-N 2.91Å; N105-N107 VanDerWaalsContact O-N 3.14Å; N105-N107 WeakPolarHBondContact OD1-CB 3.21Å; N105-N107 PolarHBondContact OD1-N 2.84Å |
| 108 | Q | 69.9 | Low | 86.7 | Confident | 88 Ų | 88 | 57.3 Ų | 57.3 | 41% | 0.411 | 31% | 0.313 | S | S | . | . | trans | -112.9 | 123.4 | -179 | -68.9 | -176.9 | -14.9 | 0 | 0 | 110 | N105 T110 | N105-Q108 HydrophobicContact CB-CB 4.4Å; N105-Q108 HydrophobicContact CB-CG 4.46Å; N105-Q108 PolarHBondContact O-N 2.81Å; Q108-T110 PolarHBondContact O-N 3.33Å | ||
| 109 | N | 74.7 | Confident | 86.5 | Confident | 168 Ų | 168 | 60.4 Ų | 60.4 | 90% | 0.898 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -66.4 | -18.4 | 178.7 | -69.5 | 18.6 | 0 | 0 | 0 | 113 | ||
| 110 | T | 81.8 | Confident | 86.3 | Confident | 87 Ų | 87 | 64.2 Ų | 64.2 | 53% | 0.534 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -121.7 | 126.4 | -176.6 | 58.1 | 0 | 0 | 0 | 0 | 111.4 | Q108 | Q108-T110 PolarHBondContact O-N 3.33Š|
| 111 | P | 86.8 | Confident | 86.1 | Confident | 40 Ų | 40 | 69.4 Ų | 69.4 | 26% | 0.26 | 39% | 0.388 | S | S | . | . | trans | -61.1 | 141.6 | 173.9 | 21.5 | -29.8 | 0 | 0 | 0 | 111.5 | I102 L103 T104 Y113 | I102-P111 HydrophobicContact CG2-CB 4.1Å; L103-P111 WeakPolarHBondContact O-CA 3.11Å; T104-P111 HydrophobicContact CG2-CB 4.01Å; P111-Y113 HydrophobicContact CB-CE2 3.91Å; P111-Y113 HydrophobicContact CG-CE2 3.67Å; P111-Y113 VanDerWaalsContact CG-OH 3.26Å; P111-Y113 WeakPolarHBondContact CG-OH 3.25Å; P111-Y113 WeakPolarHBondContact O-CD2 3.45Å; P111-Y113 VanDerWaalsContact O-CE2 3.3Å; P111-Y113 WeakPolarHBondContact O-CE2 3.43Å | ||
| 112 | I | 88.4 | Confident | 86 | Confident | 61 Ų | 61 | 69.7 Ų | 69.7 | 31% | 0.313 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 129.9 | 173.8 | -61.7 | 178.2 | 0 | 0 | 0 | 108.3 | I102 L103 K114 | I102-I112 WeakPolarHBondContact CA-O 3.44Å; L103-I112 HydrophobicContact CB-CB 4.37Å; L103-I112 PolarHBondContact N-O 3.13Å; L103-I112 PolarHBondContact O-N 2.65Å; I112-K114 HydrophobicContact CG2-CG 4.16Å |
| 113 | Y | 90 | Very high | 85.6 | Confident | 37 Ų | 37 | 79.9 Ų | 79.9 | 15% | 0.145 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 122.6 | 178.6 | -57.3 | -97.8 | 0 | 0 | 0 | 109.1 | I47 Y62 K64 I102 P111 | I47-Y113 HydrophobicContact CD1-CD1 3.43Å; I47-Y113 VanDerWaalsContact CD1-CD1 3.43Å; I47-Y113 HydrophobicContact CD1-CD2 3.18Å; I47-Y113 HydrophobicContact CD1-CE1 3.74Å; I47-Y113 HydrophobicContact CD1-CE2 3.49Å; I47-Y113 VanDerWaalsContact CD1-CE2 3.49Å; I47-Y113 HydrophobicContact CD1-CG 3.13Å; Y62-Y113 HydrophobicContact CD1-CD1 4.31Å; Y62-Y113 HydrophobicContact CD1-CE1 4.18Å; Y62-Y113 HydrophobicContact CE1-CD1 4.21Å; Y62-Y113 AromaticContact CE1-CE1 3.77Å; Y62-Y113 HydrophobicContact CE1-CE1 3.77Å; K64-Y113 WeakPolarHBondContact CD-OH 3.41Å; K64-Y113 WeakPolarHBondContact CE-OH 3.4Å; K64-Y113 HydrophobicContact CG-CE1 4.3Å; K64-Y113 WeakPolarHBondContact CG-OH 3.28Å; I102-Y113 HydrophobicContact CB-CD1 4.37Å; I102-Y113 HydrophobicContact CB-CE1 4.49Å; I102-Y113 HydrophobicContact CD1-CD1 4.01Å; I102-Y113 HydrophobicContact CD1-CE1 3.88Å; I102-Y113 HydrophobicContact CG1-CD1 3.8Å; I102-Y113 HydrophobicContact CG1-CE1 4.09Å; I102-Y113 HydrophobicContact CG2-CD1 3.93Å; I102-Y113 HydrophobicContact CG2-CE1 3.68Å; P111-Y113 HydrophobicContact CB-CE2 3.91Å; P111-Y113 HydrophobicContact CG-CE2 3.67Å; P111-Y113 VanDerWaalsContact CG-OH 3.26Å; P111-Y113 WeakPolarHBondContact CG-OH 3.25Å; P111-Y113 WeakPolarHBondContact O-CD2 3.45Å; P111-Y113 VanDerWaalsContact O-CE2 3.3Å; P111-Y113 WeakPolarHBondContact O-CE2 3.43Å |
| 114 | K | 91.7 | Very high | 85 | Confident | 93 Ų | 93 | 79.3 Ų | 79.3 | 40% | 0.404 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 128 | 176.6 | -66.6 | -168.6 | 169.4 | -151.4 | 0 | 109.5 | L100 S101 I112 E121 | L100-K114 CarbonylContact C-O 3.54Å; L100-K114 WeakPolarHBondContact CA-O 3.48Å; S101-K114 PolarHBondContact N-O 2.74Å; S101-K114 PolarHBondContact O-N 2.77Å; I112-K114 HydrophobicContact CG2-CG 4.16Å; K114-E121 IonicContact NZ-OE1 3.6Å; K114-E121 IonicContact NZ-OE2 3.62Å |
| 115 | L | 92.9 | Very high | 84 | Confident | 0 Ų | 0 | 80.9 Ų | 80.9 | 0% | 0 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 126.1 | 175 | 176.8 | 66.6 | 0 | 0 | 0 | 108.3 | W49 V51 L60 F69 F91 L100 E121 I122 | W49-L115 HydrophobicContact CB-CD2 3.67Å; W49-L115 HydrophobicContact CD2-CB 4.09Å; W49-L115 HydrophobicContact CD2-CD2 3.76Å; W49-L115 HydrophobicContact CE3-CD2 4.24Å; W49-L115 HydrophobicContact CG-CB 4.23Å; W49-L115 HydrophobicContact CG-CD2 3.49Å; W49-L115 VanDerWaalsContact CG-CD2 3.49Å; W49-L115 HydrophobicContact CZ2-CB 4.12Å; V51-L115 HydrophobicContact CG2-CD2 4.42Å; L60-L115 HydrophobicContact CD1-CD2 3.71Å; F69-L115 HydrophobicContact CZ-CD1 4.09Å; F91-L115 HydrophobicContact CE1-CD1 3.93Å; F91-L115 HydrophobicContact CZ-CD1 3.84Å; L100-L115 HydrophobicContact CB-CD1 4.36Å; L115-E121 CarbonylContact O-C 3.53Å; L115-E121 WeakPolarHBondContact O-CA 3.29Å; L115-I122 HydrophobicContact CB-CB 4.48Å; L115-I122 HydrophobicContact CD2-CB 4.14Å; L115-I122 HydrophobicContact CD2-CG1 4.37Å; L115-I122 HydrophobicContact CG-CB 4.35Å; L115-I122 HydrophobicContact CG-CG1 4.47Å; L115-I122 PolarHBondContact O-N 3.08Å |
| 116 | C | 91.8 | Very high | 83.1 | Confident | 30 Ų | 30 | 85.7 Ų | 85.7 | 20% | 0.203 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 135 | 172.7 | -63 | 0 | 0 | 0 | 0 | 109.9 | G98 V99 N120 | G98-C116 CarbonylContact C-O 3.57Å; G98-C116 WeakPolarHBondContact CA-O 3.31Å; V99-C116 PolarHBondContact N-O 3.32Å; V99-C116 PolarHBondContact O-N 2.72Å; C116-N120 CarbonylContact C-O 3.39Å; C116-N120 VanDerWaalsContact CA-O 3.23Å; C116-N120 WeakPolarHBondContact CA-O 3.36Å |
| 117 | I | 92.5 | Very high | 82 | Confident | 2 Ų | 2 | 83.2 Ų | 83.2 | 1% | 0.01 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 122.4 | 172.7 | -61.5 | 174.6 | 0 | 0 | 0 | 107.4 | V51 L53 F58 L60 H96 K97 G119 N120 I122 | V51-I117 HydrophobicContact CB-CD1 4.29Å; V51-I117 HydrophobicContact CG1-CD1 3.52Å; V51-I117 HydrophobicContact CG2-CD1 3.8Å; L53-I117 HydrophobicContact CD1-CG2 4.03Å; L53-I117 HydrophobicContact CD2-CG2 4.27Å; F58-I117 HydrophobicContact CE2-CD1 4.46Å; F58-I117 HydrophobicContact CZ-CD1 4.26Å; L60-I117 HydrophobicContact CD1-CD1 4.12Å; H96-I117 HydrophobicContact CB-CG2 3.7Å; K97-I117 WeakPolarHBondContact O-CA 3.39Å; I117-G119 PolarHBondContact O-N 3.07Å; I117-G119 VanDerWaalsContact O-N 3.13Å; I117-N120 PolarHBondContact N-O 2.76Å; I117-N120 WeakPolarHBondContact O-CB 3.43Å; I117-N120 PolarHBondContact O-N 3.19Å; I117-I122 HydrophobicContact CD1-CG1 4.12Å; I117-I122 HydrophobicContact CG1-CG1 4.24Å |
| 118 | D | 90.5 | Very high | 80.5 | Confident | 84 Ų | 84 | 84.2 Ų | 84.2 | 45% | 0.449 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 32.4 | -172.4 | -68.4 | -6.2 | 0 | 0 | 0 | 113.8 | H96 K97 N120 | H96-D118 WeakPolarHBondContact CA-OD1 3.25Å; H96-D118 IonicContact CE1-OD2 3.59Å; H96-D118 IonicContact CG-OD2 3.6Å; H96-D118 IonicContact ND1-OD1 3.89Å; H96-D118 IonicContact ND1-OD2 2.64Å; H96-D118 PolarHBondContact ND1-OD2 3.47Å; K97-D118 PolarHBondContact N-OD1 3.11Å; K97-D118 PolarHBondContact O-N 2.87Å; D118-N120 VanDerWaalsContact C-N 3.29Å; D118-N120 PolarHBondContact O-N 3.19Å |
| 119 | G | 89.4 | Confident | 79.3 | Confident | 65 Ų | 65 | 87.2 Ų | 87.2 | 67% | 0.67 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.9 | -4.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | I117 | I117-G119 PolarHBondContact O-N 3.07Å; I117-G119 VanDerWaalsContact O-N 3.13Å |
| 120 | N | 90.4 | Very high | 77.9 | Confident | 111 Ų | 111 | 83.6 Ų | 83.6 | 59% | 0.594 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 119.8 | 175.5 | -62 | -45.9 | 0 | 0 | 0 | 110.7 | C116 I117 D118 I122 | C116-N120 CarbonylContact C-O 3.39Å; C116-N120 VanDerWaalsContact CA-O 3.23Å; C116-N120 WeakPolarHBondContact CA-O 3.36Å; I117-N120 PolarHBondContact N-O 2.76Å; I117-N120 WeakPolarHBondContact O-CB 3.43Å; I117-N120 PolarHBondContact O-N 3.19Å; D118-N120 VanDerWaalsContact C-N 3.29Å; D118-N120 PolarHBondContact O-N 3.19Å; N120-I122 PolarHBondContact O-N 2.74Å |
| 121 | E | 90.2 | Very high | 76.4 | Confident | 108 Ų | 108 | 86.7 Ų | 86.7 | 51% | 0.505 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 120.7 | 177.9 | -172.9 | 172.7 | 173 | 0 | 0 | 110.8 | K114 L115 | K114-E121 IonicContact NZ-OE1 3.6Å; K114-E121 IonicContact NZ-OE2 3.62Å; L115-E121 CarbonylContact O-C 3.53Å; L115-E121 WeakPolarHBondContact O-CA 3.29Å |
| 122 | I | 89.9 | Confident | 74.4 | Confident | 33 Ų | 33 | 89.6 Ų | 89.6 | 17% | 0.169 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 119.8 | 174.3 | -50.3 | -57.4 | 0 | 0 | 0 | 108.5 | W49 V51 L115 I117 N120 C124 | W49-I122 HydrophobicContact CB-CG2 4.24Å; V51-I122 HydrophobicContact CG1-CD1 4.32Å; V51-I122 HydrophobicContact CG2-CG2 4.26Å; L115-I122 HydrophobicContact CB-CB 4.48Å; L115-I122 HydrophobicContact CD2-CB 4.14Å; L115-I122 HydrophobicContact CD2-CG1 4.37Å; L115-I122 HydrophobicContact CG-CB 4.35Å; L115-I122 HydrophobicContact CG-CG1 4.47Å; L115-I122 PolarHBondContact O-N 3.08Å; I117-I122 HydrophobicContact CD1-CG1 4.12Å; I117-I122 HydrophobicContact CG1-CG1 4.24Å; N120-I122 PolarHBondContact O-N 2.74Å; I122-C124 PolarHBondContact O-N 2.68Å |
| 123 | R | 83.5 | Confident | 72.6 | Confident | 221 Ų | 221 | 95.2 Ų | 95.2 | 83% | 0.834 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -69 | 132.8 | 177.9 | -66.1 | -174.4 | 179.6 | -179.2 | 0.5 | 110.3 | ||
| 124 | C | 75.9 | Confident | 70.3 | Confident | 44 Ų | 44 | 102.9 Ų | 102.9 | 30% | 0.297 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 135.6 | 172.3 | -177.5 | 0 | 0 | 0 | 0 | 109.6 | I47 I122 R126 | I47-C124 WeakPolarHBondContact CG2-SG 3.22Å; I122-C124 PolarHBondContact O-N 2.68Å; C124-R126 PolarHBondContact O-N 2.74Å |
| 125 | L | 66.5 | Low | 67.8 | Low | 96 Ų | 96 | 111.1 Ų | 111.1 | 50% | 0.503 | 57% | 0.568 | S | S | . | * | trans | -75.7 | 76 | 163.3 | -71.1 | 165.7 | 0 | 0 | 0 | 107.3 | N50 S127 | N50-L125 HydrophobicContact CB-CD1 3.88Å; N50-L125 WeakPolarHBondContact ND2-CD1 3.3Å; L125-S127 PolarHBondContact O-N 2.75Å | ||
| 126 | R | 58.4 | Low | 66.6 | Low | 157 Ų | 157 | 116.7 Ų | 116.7 | 59% | 0.592 | 60% | 0.596 | S | S | * | * | trans | -71.6 | 118.5 | 159.8 | -87.4 | -168.3 | 174.4 | 175.1 | 1 | 106.1 | C124 E128 | C124-R126 PolarHBondContact O-N 2.74Å; R126-E128 PolarHBondContact O-N 2.77Å | ||
| 127 | S | 48.8 | Very low | 65.3 | Low | 78 Ų | 78 | 121.3 Ų | 121.3 | 55% | 0.545 | 62% | 0.617 | S | S | . | * | trans | -58 | 97.6 | 152 | 40.5 | 0 | 0 | 0 | 0 | 105.3 | L125 L129 | L125-S127 PolarHBondContact O-N 2.75Å; S127-L129 PolarHBondContact O-N 2.76Å | ||
| 128 | E | 46.7 | Very low | 63.8 | Low | 166 Ų | 166 | 127.9 Ų | 127.9 | 78% | 0.776 | 65% | 0.65 | S | S | * | * | trans | -57.6 | 87.2 | 152.6 | -71.3 | 168.8 | 169.4 | 0 | 0 | 104.5 | R126 S130 | R126-E128 PolarHBondContact O-N 2.77Å; E128-S130 PolarHBondContact O-N 3.03Å | ||
| 129 | L | 44.3 | Very low | 62.2 | Low | 150 Ų | 150 | 130.5 Ų | 130.5 | 79% | 0.785 | 66% | 0.662 | S | S | * | * | trans | -63.4 | 76.4 | 148.1 | -73.7 | 168 | 0 | 0 | 0 | 103.8 | S127 I131 | S127-L129 PolarHBondContact O-N 2.76Å; L129-I131 PolarHBondContact O-N 3.17Å | ||
| 130 | S | 44.8 | Very low | 60.5 | Low | 92 Ų | 92 | 134.6 Ų | 134.6 | 64% | 0.643 | 66% | 0.662 | S | S | * | * | trans | -53 | 102.5 | 152.9 | -50.2 | 0 | 0 | 0 | 0 | 102.7 | E128 S132 | E128-S130 PolarHBondContact O-N 3.03Å; S130-S132 PolarHBondContact O-N 3.31Å | ||
| 131 | I | 50.1 | Low | 58.5 | Low | 152 Ų | 152 | 136.1 Ų | 136.1 | 78% | 0.779 | 67% | 0.666 | S | S | * | * | trans | -55.7 | 93 | 156.9 | -61.7 | 165.2 | 0 | 0 | 0 | 101.8 | L129 E133 | L129-I131 PolarHBondContact O-N 3.17Å; I131-E133 PolarHBondContact O-N 3.27Å | ||
| 132 | S | 45.2 | Very low | 56.2 | Low | 101 Ų | 101 | 138.1 Ų | 138.1 | 71% | 0.706 | 68% | 0.678 | S | S | * | * | trans | -63.7 | 96.8 | 168.6 | -171.5 | 0 | 0 | 0 | 0 | 102.2 | S130 K134 | S130-S132 PolarHBondContact O-N 3.31Å; S132-K134 PolarHBondContact O-N 3.21Å | ||
| 133 | E | 50.4 | Low | 53.6 | Low | 179 Ų | 179 | 146.2 Ų | 146.2 | 84% | 0.836 | 72% | 0.717 | S | S | * | * | trans | -56.5 | 79.4 | 166.2 | -68.6 | -176.7 | 128.8 | 0 | 0 | 106.6 | I131 K135 | I131-E133 PolarHBondContact O-N 3.27Å; E133-K135 PolarHBondContact O-N 3.17Å; E133-K135 VanDerWaalsContact O-N 3.11Å | ||
| 134 | K | 41.6 | Very low | 51.1 | Low | 198 Ų | 198 | 140 Ų | 140 | 86% | 0.861 | 71% | 0.707 | S | S | * | * | trans | -86.4 | 77.4 | 167.9 | -145.8 | 177.9 | -175.5 | -176.7 | 0 | 106 | S132 | S132-K134 PolarHBondContact O-N 3.21Š| ||
| 135 | K | 41.1 | Very low | 48.9 | Very low | 267 Ų | 267 | 148.7 Ų | 148.7 | 100% | 1.161 | 74% | 0.744 | S | S | * | * | trans | -75.3 | 0 | 159.9 | -169.3 | -178.1 | 179 | -168.4 | 0 | 109.4 | E133 | E133-K135 PolarHBondContact O-N 3.17Å; E133-K135 VanDerWaalsContact O-N 3.11Å |
Retrieved 135 of 135 residues in 37.5 ms
(Link to these results)