| 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 | 36.3 | Very low | 43.8 | Very low | 245 Ų | 245 | 170.5 Ų | 170.5 | 100% | 1.207 | 86% | 0.857 | S | S | * | * | 0 | 111.4 | 0 | -80 | 149 | 173.6 | 0 | 0 | 108.8 | |||||
| 2 | N | 43.3 | Very low | 43.8 | Very low | 155 Ų | 155 | 164.8 Ų | 164.8 | 83% | 0.829 | 85% | 0.845 | S | S | * | * | trans | -18 | 141.4 | 166.8 | -51.5 | -16.9 | 0 | 0 | 0 | 116.4 | ||||
| 3 | K | 42.8 | Very low | 43.9 | Very low | 213 Ų | 213 | 168.5 Ų | 168.5 | 93% | 0.926 | 84% | 0.844 | S | S | * | * | -156.5 | 113.4 | 122.4 | -101.7 | 165.2 | -162.1 | -167.1 | 0 | 110.3 | |||||
| 4 | L | 45.5 | Very low | 44.5 | Very low | 173 Ų | 173 | 169.2 Ų | 169.2 | 91% | 0.906 | 84% | 0.843 | S | S | * | * | trans | -67.3 | 132.2 | 172.9 | -141.8 | 76.2 | 0 | 0 | 0 | 108.9 | ||||
| 5 | S | 41.7 | Very low | 44.8 | Very low | 111 Ų | 111 | 167.1 Ų | 167.1 | 78% | 0.776 | 83% | 0.834 | S | S | * | * | trans | -123.4 | 106.7 | 165.7 | 53.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 6 | K | 48.5 | Very low | 45.1 | Very low | 178 Ų | 178 | 167.8 Ų | 167.8 | 77% | 0.774 | 83% | 0.834 | S | S | * | * | trans | -56 | 149.1 | 168.3 | -82 | 176.1 | 169 | -179.5 | 0 | 110.4 | ||||
| 7 | P | 48 | Very low | 45.4 | Very low | 128 Ų | 128 | 167.9 Ų | 167.9 | 83% | 0.831 | 83% | 0.831 | S | S | * | * | -114 | 127.3 | 126.4 | 12.6 | 4.5 | 0 | 0 | 0 | 109.4 | |||||
| 8 | Q | 47.4 | Very low | 45.3 | Very low | 152 Ų | 152 | 165.3 Ų | 165.3 | 71% | 0.71 | 83% | 0.829 | S | S | * | * | trans | -82.2 | 156.4 | 166.5 | -168.1 | 169.1 | -18.6 | 0 | 0 | 108 | ||||
| 9 | E | 47.9 | Very low | 45.7 | Very low | 180 Ų | 180 | 161.7 Ų | 161.7 | 84% | 0.841 | 82% | 0.821 | S | S | * | * | trans | 95.9 | 83 | 168.2 | -54.9 | -178.7 | 173.4 | 0 | 0 | 116.1 | ||||
| 10 | F | 37.9 | Very low | 45.9 | Very low | 206 Ų | 206 | 160.8 Ų | 160.8 | 90% | 0.904 | 82% | 0.818 | S | S | * | * | trans | -136.4 | 107.4 | 137.7 | -162.8 | -97.7 | 0 | 0 | 0 | 108.8 | S12 | F10-S12 PolarHBondContact O-N 2.97Š| ||
| 11 | D | 41.9 | Very low | 46.3 | Very low | 135 Ų | 135 | 161.3 Ų | 161.3 | 72% | 0.722 | 82% | 0.818 | S | S | * | * | trans | -11.8 | 102.7 | 165 | -138.2 | -1.8 | 0 | 0 | 0 | 115.7 | ||||
| 12 | S | 44.1 | Very low | 46.9 | Very low | 102 Ų | 102 | 157.8 Ų | 157.8 | 71% | 0.713 | 80% | 0.798 | S | S | * | * | trans | -79.2 | 113.7 | 165 | 53.8 | 0 | 0 | 0 | 0 | 107.9 | F10 E14 | F10-S12 PolarHBondContact O-N 2.97Å; S12-E14 PolarHBondContact O-N 2.97Å | ||
| 13 | Y | 45 | Very low | 46.9 | Very low | 213 Ų | 213 | 160 Ų | 160 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | trans | -52.2 | 112.4 | 168.8 | -93.9 | -106.1 | 0 | 0 | 0 | 109.5 | I15 | Y13-I15 PolarHBondContact O-N 3.23Å; Y13-I15 VanDerWaalsContact O-N 3.1Å | ||
| 14 | E | 52 | Low | 46.9 | Very low | 178 Ų | 178 | 153.5 Ų | 153.5 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | -65.9 | 102.1 | 159.2 | -87.2 | 176.9 | 155.1 | 0 | 0 | 107.1 | S12 E16 | S12-E14 PolarHBondContact O-N 2.97Å; E14-E16 PolarHBondContact O-N 3.14Å | ||
| 15 | I | 49 | Very low | 46.8 | Very low | 138 Ų | 138 | 154.2 Ų | 154.2 | 71% | 0.708 | 78% | 0.78 | S | S | * | * | trans | -80.2 | 99.1 | 159.7 | -71 | 164.3 | 0 | 0 | 0 | 104.6 | Y13 E17 | Y13-I15 PolarHBondContact O-N 3.23Å; Y13-I15 VanDerWaalsContact O-N 3.1Å; I15-E17 VanDerWaalsContact C-N 3.33Å; I15-E17 HydrophobicContact CG2-CG 4.07Å; I15-E17 PolarHBondContact O-N 3.21Å | ||
| 16 | E | 50.7 | Low | 46.5 | Very low | 177 Ų | 177 | 152.2 Ų | 152.2 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | trans | -65.7 | 99.5 | 161.1 | -74.2 | -177.7 | 158.8 | 0 | 0 | 106.8 | E14 P18 | E14-E16 PolarHBondContact O-N 3.14Å; E16-P18 VanDerWaalsContact O-CD 3.32Å; E16-P18 WeakPolarHBondContact O-CD 3.48Å | ||
| 17 | E | 49.1 | Very low | 46.5 | Very low | 170 Ų | 170 | 149.8 Ų | 149.8 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | -68.1 | 118.1 | 164.7 | -69.1 | -172 | 140.7 | 0 | 0 | 107.7 | I15 S19 | I15-E17 VanDerWaalsContact C-N 3.33Å; I15-E17 HydrophobicContact CG2-CG 4.07Å; I15-E17 PolarHBondContact O-N 3.21Å; E17-S19 PolarHBondContact O-N 3.25Å; E17-S19 VanDerWaalsContact O-N 3.1Å | ||
| 18 | P | 44.5 | Very low | 46.4 | Very low | 122 Ų | 122 | 147.3 Ų | 147.3 | 79% | 0.792 | 76% | 0.757 | S | S | * | * | trans | -68.1 | 111.1 | 163.7 | 12.8 | -2.8 | 0 | 0 | 0 | 107.3 | E16 D20 | E16-P18 VanDerWaalsContact O-CD 3.32Å; E16-P18 WeakPolarHBondContact O-CD 3.48Å; P18-D20 PolarHBondContact O-N 3.15Å | ||
| 19 | S | 52.5 | Low | 46.3 | Very low | 96 Ų | 96 | 145.3 Ų | 145.3 | 67% | 0.671 | 75% | 0.748 | S | S | * | * | trans | -56.1 | 100.4 | 168.3 | -174.4 | 0 | 0 | 0 | 0 | 109.3 | E17 E21 | E17-S19 PolarHBondContact O-N 3.25Å; E17-S19 VanDerWaalsContact O-N 3.1Å; S19-E21 PolarHBondContact O-N 3.19Å | ||
| 20 | D | 50.8 | Low | 46.9 | Very low | 144 Ų | 144 | 142.6 Ų | 142.6 | 77% | 0.77 | 74% | 0.739 | S | S | * | * | trans | -76.2 | 74.9 | 170.8 | -169 | 15.9 | 0 | 0 | 0 | 108.9 | P18 E22 | P18-D20 PolarHBondContact O-N 3.15Å; D20-E22 VanDerWaalsContact C-N 3.26Å; D20-E22 PolarHBondContact O-N 3.11Å | ||
| 21 | E | 53.1 | Low | 48.6 | Very low | 171 Ų | 171 | 136.9 Ų | 136.9 | 80% | 0.799 | 72% | 0.715 | S | S | * | * | trans | -90.5 | 51.5 | 166.5 | -76.2 | -170.7 | 147.3 | 0 | 0 | 110.3 | S19 | S19-E21 PolarHBondContact O-N 3.19Š| ||
| 22 | E | 48.4 | Very low | 49.9 | Very low | 172 Ų | 172 | 136.3 Ų | 136.3 | 80% | 0.804 | 71% | 0.711 | S | S | * | * | trans | -99.2 | 78.9 | 164.3 | -65.4 | -91.6 | 155.5 | 0 | 0 | 107.3 | D20 A24 | D20-E22 VanDerWaalsContact C-N 3.26Å; D20-E22 PolarHBondContact O-N 3.11Å; E22-A24 PolarHBondContact O-N 3.31Å | ||
| 23 | R | 44.8 | Very low | 51.5 | Low | 200 Ų | 200 | 135.3 Ų | 135.3 | 76% | 0.755 | 70% | 0.698 | S | S | * | * | trans | -58.5 | 105.2 | 169.4 | -175.3 | 176.5 | -159.9 | 147.3 | 3.4 | 107.7 | E25 E29 | R23-E25 PolarHBondContact O-N 3.17Å; R23-E29 IonicContact NE-OE2 3.61Å; R23-E29 IonicContact NH2-OE2 3.87Å | ||
| 24 | A | 41.6 | Very low | 53.1 | Low | 78 Ų | 78 | 126.7 Ų | 126.7 | 65% | 0.645 | 67% | 0.667 | S | S | * | * | trans | -59.5 | 103.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | E22 S26 | E22-A24 PolarHBondContact O-N 3.31Å; A24-S26 PolarHBondContact O-N 3.24Å | ||
| 25 | E | 42.8 | Very low | 54.2 | Low | 187 Ų | 187 | 121.8 Ų | 121.8 | 87% | 0.874 | 65% | 0.647 | S | S | * | * | trans | -68.4 | 69.5 | 163.3 | -67.5 | -178.5 | 169.9 | 0 | 0 | 107.9 | R23 | R23-E25 PolarHBondContact O-N 3.17Š| ||
| 26 | S | 37.1 | Very low | 55.6 | Low | 70 Ų | 70 | 121.5 Ų | 121.5 | 49% | 0.49 | 65% | 0.646 | S | S | . | * | trans | -77.9 | 120.4 | 169.6 | -176.6 | 0 | 0 | 0 | 0 | 107.3 | A24 S28 E29 | A24-S26 PolarHBondContact O-N 3.24Å; S26-S28 PolarHBondContact O-N 3.23Å; S26-S28 PolarHBondContact OG-OG 2.73Å; S26-E29 PolarHBondContact O-N 3.2Å | ||
| 27 | S | 47.3 | Very low | 57 | Low | 127 Ų | 127 | 118.9 Ų | 118.9 | 89% | 0.888 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | 22.4 | -178.1 | -174 | 0 | 0 | 0 | 0 | 116 | ||
| 28 | S | 46.9 | Very low | 58.5 | Low | 75 Ų | 75 | 111.5 Ų | 111.5 | 52% | 0.524 | 61% | 0.607 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -114.6 | -4.6 | 177.3 | 59.8 | 0 | 0 | 0 | 0 | 113.6 | S26 D30 | S26-S28 PolarHBondContact O-N 3.23Å; S26-S28 PolarHBondContact OG-OG 2.73Å; S28-D30 VanDerWaalsContact C-N 3.31Å |
| 29 | E | 44.1 | Very low | 60.5 | Low | 110 Ų | 110 | 108.7 Ų | 108.7 | 51% | 0.514 | 59% | 0.588 | S | S | . | * | S | Bend | trans | -78.2 | -12.9 | 179.9 | -60.4 | -151.3 | 125.6 | 0 | 0 | 113.8 | R23 S26 E31 D33 | R23-E29 IonicContact NE-OE2 3.61Å; R23-E29 IonicContact NH2-OE2 3.87Å; S26-E29 PolarHBondContact O-N 3.2Å; E29-E31 PolarHBondContact O-N 3.5Å; E29-D33 PolarHBondContact O-N 3.42Å |
| 30 | D | 61.5 | Low | 61.9 | Low | 123 Ų | 123 | 108.5 Ų | 108.5 | 66% | 0.658 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -73.8 | -27.2 | -174.6 | -135.1 | 11.4 | 0 | 0 | 0 | 112.6 | S28 V34 | S28-D30 VanDerWaalsContact C-N 3.31Å; D30-V34 WeakPolarHBondContact O-CB 2.93Å; D30-V34 WeakPolarHBondContact O-CG2 3.31Å; D30-V34 PolarHBondContact O-N 2.83Å |
| 31 | E | 73.6 | Confident | 63.3 | Low | 87 Ų | 87 | 108.9 Ų | 108.9 | 41% | 0.407 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70.1 | -41.4 | 178.4 | -65.4 | -174.5 | -167.8 | 0 | 0 | 112.6 | E29 L35 L46 Y50 | E29-E31 PolarHBondContact O-N 3.5Å; E31-L35 WeakPolarHBondContact O-CG 2.94Å; E31-L35 PolarHBondContact O-N 3.25Å; E31-L35 VanDerWaalsContact O-N 3.11Å; E31-L46 HydrophobicContact CB-CD2 4.44Å; E31-L46 HydrophobicContact CG-CD1 4.31Å; E31-Y50 PolarHBondContact OE2-OH 3.12Å |
| 32 | L | 70.3 | Confident | 64.5 | Low | 122 Ų | 122 | 105.3 Ų | 105.3 | 64% | 0.639 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -72.5 | -35.8 | -179.5 | -67.7 | 177.8 | 0 | 0 | 0 | 111.4 | L35 L36 | L32-L35 PolarHBondContact O-N 2.91Å; L32-L36 PolarHBondContact O-N 2.79Å |
| 33 | D | 75.8 | Confident | 66.3 | Low | 82 Ų | 82 | 100 Ų | 100 | 44% | 0.439 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -72.5 | -33.7 | 176 | -159.7 | 34.8 | 0 | 0 | 0 | 111.8 | E29 L35 L36 N37 G38 | E29-D33 PolarHBondContact O-N 3.42Å; D33-L35 VanDerWaalsContact C-N 3.33Å; D33-L35 PolarHBondContact O-N 2.91Å; D33-L36 PolarHBondContact O-N 2.61Å; D33-N37 CarbonylContact O-C 3.46Å; D33-N37 WeakPolarHBondContact O-CA 3.49Å; D33-N37 WeakPolarHBondContact O-CB 3.4Å; D33-N37 PolarHBondContact O-N 3.29Å; D33-N37 WeakPolarHBondContact OD1-CB 3.28Å; D33-N37 VanDerWaalsContact OD1-CG 3.31Å; D33-N37 PolarHBondContact OD1-ND2 3.32Å; D33-G38 PolarHBondContact O-N 3.39Å; D33-G38 VanDerWaalsContact O-N 3.1Å |
| 34 | V | 78.5 | Confident | 68 | Low | 31 Ų | 31 | 97.7 Ų | 97.7 | 19% | 0.188 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -62.7 | -39.6 | 170 | 169.1 | 0 | 0 | 0 | 0 | 111.4 | D30 G38 Q42 K43 L46 | D30-V34 WeakPolarHBondContact O-CB 2.93Å; D30-V34 WeakPolarHBondContact O-CG2 3.31Å; D30-V34 PolarHBondContact O-N 2.83Å; V34-G38 VanDerWaalsContact O-CA 3.25Å; V34-G38 WeakPolarHBondContact O-CA 3.47Å; V34-G38 PolarHBondContact O-N 3.47Å; V34-G38 VanDerWaalsContact O-N 3.07Å; V34-Q42 HydrophobicContact CG1-CB 3.81Å; V34-K43 VanDerWaalsContact O-CE 3.32Å; V34-K43 WeakPolarHBondContact O-CE 3.4Å; V34-K43 WeakPolarHBondContact O-CG 3.13Å; V34-L46 HydrophobicContact CB-CD2 4.27Å; V34-L46 HydrophobicContact CG1-CB 4.35Å; V34-L46 HydrophobicContact CG1-CD2 3.97Å |
| 35 | L | 76.9 | Confident | 69.9 | Low | 76 Ų | 76 | 99.8 Ų | 99.8 | 40% | 0.398 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -70.6 | -38.3 | 177 | -73.9 | 171 | 0 | 0 | 0 | 113.4 | E31 L32 D33 K43 L46 | E31-L35 WeakPolarHBondContact O-CG 2.94Å; E31-L35 PolarHBondContact O-N 3.25Å; E31-L35 VanDerWaalsContact O-N 3.11Å; L32-L35 PolarHBondContact O-N 2.91Å; D33-L35 VanDerWaalsContact C-N 3.33Å; D33-L35 PolarHBondContact O-N 2.91Å; L35-K43 WeakPolarHBondContact O-CE 3.21Å; L35-K43 PolarHBondContact O-NZ 2.83Å; L35-L46 HydrophobicContact CD1-CD2 4.26Å; L35-L46 HydrophobicContact CD2-CD2 3.98Å; L35-L46 HydrophobicContact CG-CD2 3.71Å |
| 36 | L | 77.9 | Confident | 71.6 | Confident | 132 Ų | 132 | 91.9 Ų | 91.9 | 69% | 0.691 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -80.4 | -54.4 | 179.4 | -107.7 | 69 | 0 | 0 | 0 | 111.4 | L32 D33 K43 | L32-L36 PolarHBondContact O-N 2.79Å; D33-L36 PolarHBondContact O-N 2.61Å; L36-K43 PolarHBondContact O-NZ 3.39Å |
| 37 | N | 80.1 | Confident | 73.7 | Confident | 121 Ų | 121 | 92.7 Ų | 92.7 | 65% | 0.647 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -114.9 | -11.3 | -164.8 | -61.1 | -8.6 | 0 | 0 | 0 | 114.4 | D33 | D33-N37 CarbonylContact O-C 3.46Å; D33-N37 WeakPolarHBondContact O-CA 3.49Å; D33-N37 WeakPolarHBondContact O-CB 3.4Å; D33-N37 PolarHBondContact O-N 3.29Å; D33-N37 WeakPolarHBondContact OD1-CB 3.28Å; D33-N37 VanDerWaalsContact OD1-CG 3.31Å; D33-N37 PolarHBondContact OD1-ND2 3.32Å |
| 38 | G | 80.3 | Confident | 75.3 | Confident | 15 Ų | 15 | 94.9 Ų | 94.9 | 16% | 0.155 | 48% | 0.479 | C | S | . | . | S | Bend | trans | -64.7 | 163.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | D33 V34 K43 | D33-G38 PolarHBondContact O-N 3.39Å; D33-G38 VanDerWaalsContact O-N 3.1Å; V34-G38 VanDerWaalsContact O-CA 3.25Å; V34-G38 WeakPolarHBondContact O-CA 3.47Å; V34-G38 PolarHBondContact O-N 3.47Å; V34-G38 VanDerWaalsContact O-N 3.07Å; G38-K43 WeakPolarHBondContact O-CE 3.48Å |
| 39 | T | 86.3 | Confident | 76.7 | Confident | 63 Ų | 63 | 94.4 Ų | 94.4 | 39% | 0.387 | 47% | 0.469 | S | S | . | . | trans | -67.2 | 154.6 | 174.6 | 69.5 | 0 | 0 | 0 | 0 | 110.6 | E41 Q42 K43 | T39-E41 PolarHBondContact O-N 3.3Å; T39-Q42 PolarHBondContact O-N 3.46Å; T39-Q42 WeakPolarHBondContact OG1-CG 3.26Å; T39-Q42 PolarHBondContact OG1-N 3.16Å; T39-Q42 PolarHBondContact OG1-OE1 3.08Å; T39-K43 PolarHBondContact O-N 3.44Å | ||
| 40 | P | 81.8 | Confident | 78.2 | Confident | 92 Ų | 92 | 97 Ų | 97 | 60% | 0.597 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -59.4 | -22.5 | 179.3 | 23.2 | -34.8 | 0 | 0 | 0 | 113.5 | K44 | P40-K44 WeakPolarHBondContact O-CB 3.44Å; P40-K44 VanDerWaalsContact O-CG 3.26Å; P40-K44 WeakPolarHBondContact O-CG 3.46Å; P40-K44 PolarHBondContact O-N 2.89Å |
| 41 | E | 80.1 | Confident | 78.9 | Confident | 153 Ų | 153 | 97.9 Ų | 97.9 | 72% | 0.715 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -75.8 | -41.7 | 174.9 | -71.1 | 153 | -170.9 | 0 | 0 | 111.6 | T39 K44 K45 | T39-E41 PolarHBondContact O-N 3.3Å; E41-K44 PolarHBondContact O-N 2.81Å; E41-K45 WeakPolarHBondContact O-CB 3.43Å; E41-K45 PolarHBondContact O-N 2.95Å |
| 42 | Q | 79.4 | Confident | 78.8 | Confident | 95 Ų | 95 | 97.5 Ų | 97.5 | 44% | 0.444 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.1 | -43.5 | 174.1 | -69.8 | 169.2 | -33 | 0 | 0 | 111.4 | V34 T39 K44 K45 L46 | V34-Q42 HydrophobicContact CG1-CB 3.81Å; T39-Q42 PolarHBondContact O-N 3.46Å; T39-Q42 WeakPolarHBondContact OG1-CG 3.26Å; T39-Q42 PolarHBondContact OG1-N 3.16Å; T39-Q42 PolarHBondContact OG1-OE1 3.08Å; Q42-K44 VanDerWaalsContact C-N 3.34Å; Q42-K44 PolarHBondContact O-N 3.46Å; Q42-K45 PolarHBondContact O-N 2.79Å; Q42-L46 WeakPolarHBondContact O-CB 3.36Å; Q42-L46 PolarHBondContact O-N 3.34Å |
| 43 | K | 85.3 | Confident | 78.4 | Confident | 61 Ų | 61 | 94.6 Ų | 94.6 | 27% | 0.265 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.7 | -43.4 | 175.2 | -64.7 | -173.4 | -166.1 | -157 | 0 | 112 | V34 L35 L36 G38 T39 I47 | V34-K43 VanDerWaalsContact O-CE 3.32Å; V34-K43 WeakPolarHBondContact O-CE 3.4Å; V34-K43 WeakPolarHBondContact O-CG 3.13Å; L35-K43 WeakPolarHBondContact O-CE 3.21Å; L35-K43 PolarHBondContact O-NZ 2.83Å; L36-K43 PolarHBondContact O-NZ 3.39Å; G38-K43 WeakPolarHBondContact O-CE 3.48Å; T39-K43 PolarHBondContact O-N 3.44Å; K43-I47 WeakPolarHBondContact O-CB 3.48Å; K43-I47 WeakPolarHBondContact O-CD1 3.16Å; K43-I47 WeakPolarHBondContact O-CG1 3.28Å; K43-I47 PolarHBondContact O-N 3.17Å |
| 44 | K | 81.6 | Confident | 77.4 | Confident | 152 Ų | 152 | 97.9 Ų | 97.9 | 66% | 0.661 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67.7 | -35.5 | 177.2 | -77.9 | 175.6 | -178.8 | 178.4 | 0 | 112.6 | P40 E41 Q42 R48 | P40-K44 WeakPolarHBondContact O-CB 3.44Å; P40-K44 VanDerWaalsContact O-CG 3.26Å; P40-K44 WeakPolarHBondContact O-CG 3.46Å; P40-K44 PolarHBondContact O-N 2.89Å; E41-K44 PolarHBondContact O-N 2.81Å; Q42-K44 VanDerWaalsContact C-N 3.34Å; Q42-K44 PolarHBondContact O-N 3.46Å; K44-R48 WeakPolarHBondContact O-CB 3.41Å; K44-R48 PolarHBondContact O-N 3.01Å |
| 45 | K | 80.4 | Confident | 76.2 | Confident | 121 Ų | 121 | 99.4 Ų | 99.4 | 53% | 0.526 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.7 | -47.7 | 176.5 | -166.2 | 177.5 | -177 | 177.3 | 0 | 110.5 | E41 Q42 I47 R48 E49 E56 | E41-K45 WeakPolarHBondContact O-CB 3.43Å; E41-K45 PolarHBondContact O-N 2.95Å; Q42-K45 PolarHBondContact O-N 2.79Å; K45-I47 PolarHBondContact O-N 3.12Å; K45-R48 WeakPolarHBondContact O-CB 3.46Å; K45-R48 PolarHBondContact O-N 2.94Å; K45-E49 PolarHBondContact O-N 2.91Å; K45-E56 WeakPolarHBondContact CE-OE2 3.35Å; K45-E56 IonicContact NZ-OE2 2.83Å; K45-E56 PolarHBondContact NZ-OE2 2.68Å |
| 46 | L | 79.3 | Confident | 74.6 | Confident | 21 Ų | 21 | 103.6 Ų | 103.6 | 11% | 0.11 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -62.8 | -41.9 | 177.8 | -169.1 | 70.8 | 0 | 0 | 0 | 112.5 | E31 V34 L35 Q42 R48 E49 Y50 | E31-L46 HydrophobicContact CB-CD2 4.44Å; E31-L46 HydrophobicContact CG-CD1 4.31Å; V34-L46 HydrophobicContact CB-CD2 4.27Å; V34-L46 HydrophobicContact CG1-CB 4.35Å; V34-L46 HydrophobicContact CG1-CD2 3.97Å; L35-L46 HydrophobicContact CD1-CD2 4.26Å; L35-L46 HydrophobicContact CD2-CD2 3.98Å; L35-L46 HydrophobicContact CG-CD2 3.71Å; Q42-L46 WeakPolarHBondContact O-CB 3.36Å; Q42-L46 PolarHBondContact O-N 3.34Å; L46-R48 VanDerWaalsContact C-N 3.35Å; L46-R48 PolarHBondContact O-N 3.07Å; L46-E49 PolarHBondContact O-N 2.68Å; L46-Y50 HydrophobicContact CD1-CE2 4.48Å; L46-Y50 PolarHBondContact O-N 3.49Å; L46-Y50 VanDerWaalsContact O-N 3.09Å |
| 47 | I | 81.5 | Confident | 73 | Confident | 87 Ų | 87 | 101.7 Ų | 101.7 | 45% | 0.446 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.6 | -37.5 | 176.3 | -69.1 | 165.7 | 0 | 0 | 0 | 111.6 | K43 K45 L51 | K43-I47 WeakPolarHBondContact O-CB 3.48Å; K43-I47 WeakPolarHBondContact O-CD1 3.16Å; K43-I47 WeakPolarHBondContact O-CG1 3.28Å; K43-I47 PolarHBondContact O-N 3.17Å; K45-I47 PolarHBondContact O-N 3.12Å; I47-L51 HydrophobicContact CG2-CD1 3.7Å; I47-L51 HydrophobicContact CG2-CG 4.49Å; I47-L51 WeakPolarHBondContact O-CB 3.38Å; I47-L51 WeakPolarHBondContact O-CG 3.49Å; I47-L51 PolarHBondContact O-N 2.92Å; I47-L51 VanDerWaalsContact O-N 3.17Å |
| 48 | R | 79.8 | Confident | 71.7 | Confident | 173 Ų | 173 | 101.7 Ų | 101.7 | 65% | 0.653 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.2 | -47.6 | 175.8 | 176.5 | 177.8 | -66 | -167.7 | -2.9 | 110.4 | K44 K45 L46 Y50 L51 T52 | K44-R48 WeakPolarHBondContact O-CB 3.41Å; K44-R48 PolarHBondContact O-N 3.01Å; K45-R48 WeakPolarHBondContact O-CB 3.46Å; K45-R48 PolarHBondContact O-N 2.94Å; L46-R48 VanDerWaalsContact C-N 3.35Å; L46-R48 PolarHBondContact O-N 3.07Å; R48-Y50 VanDerWaalsContact C-N 3.35Å; R48-Y50 PolarHBondContact O-N 3.4Å; R48-L51 PolarHBondContact O-N 3.31Å; R48-T52 PolarHBondContact O-N 3.41Å; R48-T52 PolarHBondContact O-OG1 3.35Å |
| 49 | E | 76.9 | Confident | 70.2 | Confident | 66 Ų | 66 | 106.1 Ų | 106.1 | 31% | 0.308 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -55.5 | -46.8 | 177.6 | -176.5 | 170.1 | -165.2 | 0 | 0 | 112 | K45 L46 L51 G53 S55 | K45-E49 PolarHBondContact O-N 2.91Å; L46-E49 PolarHBondContact O-N 2.68Å; E49-L51 VanDerWaalsContact C-N 3.29Å; E49-L51 PolarHBondContact O-N 3.3Å; E49-G53 VanDerWaalsContact O-CA 3.24Å; E49-G53 WeakPolarHBondContact O-CA 3.24Å; E49-G53 PolarHBondContact O-N 3.47Å; E49-S55 VanDerWaalsContact OE1-CB 3.26Å; E49-S55 WeakPolarHBondContact OE1-CB 3.5Å; E49-S55 PolarHBondContact OE1-OG 2.82Å |
| 50 | Y | 75.4 | Confident | 68.5 | Low | 165 Ų | 165 | 109.3 Ų | 109.3 | 65% | 0.647 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65.3 | -26.9 | 175.8 | -96.2 | -97.3 | 0 | 0 | 0 | 114.6 | E31 L46 R48 | E31-Y50 PolarHBondContact OE2-OH 3.12Å; L46-Y50 HydrophobicContact CD1-CE2 4.48Å; L46-Y50 PolarHBondContact O-N 3.49Å; L46-Y50 VanDerWaalsContact O-N 3.09Å; R48-Y50 VanDerWaalsContact C-N 3.35Å; R48-Y50 PolarHBondContact O-N 3.4Å |
| 51 | L | 74.9 | Confident | 67.6 | Low | 140 Ų | 140 | 110.8 Ų | 110.8 | 73% | 0.733 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -93.9 | -31.7 | -176.3 | -75.2 | 170.1 | 0 | 0 | 0 | 113.5 | I47 R48 E49 | I47-L51 HydrophobicContact CG2-CD1 3.7Å; I47-L51 HydrophobicContact CG2-CG 4.49Å; I47-L51 WeakPolarHBondContact O-CB 3.38Å; I47-L51 WeakPolarHBondContact O-CG 3.49Å; I47-L51 PolarHBondContact O-N 2.92Å; I47-L51 VanDerWaalsContact O-N 3.17Å; R48-L51 PolarHBondContact O-N 3.31Å; E49-L51 VanDerWaalsContact C-N 3.29Å; E49-L51 PolarHBondContact O-N 3.3Å |
| 52 | T | 72.1 | Confident | 67.4 | Low | 79 Ų | 79 | 111.5 Ų | 111.5 | 49% | 0.485 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -110.3 | -12.5 | -177.5 | 60.7 | 0 | 0 | 0 | 0 | 113.4 | R48 E54 | R48-T52 PolarHBondContact O-N 3.41Å; R48-T52 PolarHBondContact O-OG1 3.35Å; T52-E54 PolarHBondContact O-N 2.74Å |
| 53 | G | 62.9 | Low | 67.4 | Low | 62 Ų | 62 | 113.1 Ų | 113.1 | 64% | 0.639 | 58% | 0.583 | S | S | * | * | trans | 67.2 | 10.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | E49 S55 | E49-G53 VanDerWaalsContact O-CA 3.24Å; E49-G53 WeakPolarHBondContact O-CA 3.24Å; E49-G53 PolarHBondContact O-N 3.47Å; G53-S55 PolarHBondContact O-N 3.3Å | ||
| 54 | E | 53.7 | Low | 67.3 | Low | 150 Ų | 150 | 115.2 Ų | 115.2 | 70% | 0.701 | 59% | 0.594 | S | S | * | * | trans | -92.5 | 84.7 | -178.3 | -65.5 | -176.6 | 135.2 | 0 | 0 | 109.8 | T52 | T52-E54 PolarHBondContact O-N 2.74Š| ||
| 55 | S | 54.3 | Low | 67.5 | Low | 64 Ų | 64 | 115 Ų | 115 | 45% | 0.448 | 59% | 0.593 | S | S | . | * | trans | -82.8 | 131 | 167 | -49.6 | 0 | 0 | 0 | 0 | 109.6 | E49 G53 S57 | E49-S55 VanDerWaalsContact OE1-CB 3.26Å; E49-S55 WeakPolarHBondContact OE1-CB 3.5Å; E49-S55 PolarHBondContact OE1-OG 2.82Å; G53-S55 PolarHBondContact O-N 3.3Å; S55-S57 PolarHBondContact O-N 3.16Å | ||
| 56 | E | 43.4 | Very low | 68 | Low | 163 Ų | 163 | 114.6 Ų | 114.6 | 76% | 0.762 | 59% | 0.593 | S | S | * | * | trans | -77.8 | 23.2 | 174.9 | -56.3 | 177.7 | 127.7 | 0 | 0 | 112.7 | K45 S58 | K45-E56 WeakPolarHBondContact CE-OE2 3.35Å; K45-E56 IonicContact NZ-OE2 2.83Å; K45-E56 PolarHBondContact NZ-OE2 2.68Å; E56-S58 PolarHBondContact O-N 3.21Å | ||
| 57 | S | 43.6 | Very low | 68.5 | Low | 93 Ų | 93 | 117.8 Ų | 117.8 | 65% | 0.65 | 61% | 0.608 | S | S | * | * | trans | -91.6 | 82.3 | 177.9 | -73.3 | 0 | 0 | 0 | 0 | 110.4 | S55 S59 | S55-S57 PolarHBondContact O-N 3.16Å; S57-S59 VanDerWaalsContact C-N 3.28Å; S57-S59 PolarHBondContact O-N 2.89Å | ||
| 58 | S | 53.1 | Low | 69 | Low | 121 Ų | 121 | 120.5 Ų | 120.5 | 85% | 0.846 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | 58.1 | -178.9 | 173.7 | 0 | 0 | 0 | 0 | 114.3 | E56 | E56-S58 PolarHBondContact O-N 3.21Š|
| 59 | S | 47.7 | Very low | 69.5 | Low | 107 Ų | 107 | 114.9 Ų | 114.9 | 75% | 0.748 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.9 | -2.4 | 169.4 | 61.2 | 0 | 0 | 0 | 0 | 115.7 | S57 | S57-S59 VanDerWaalsContact C-N 3.28Å; S57-S59 PolarHBondContact O-N 2.89Å |
| 60 | E | 51.8 | Low | 70.3 | Confident | 130 Ų | 130 | 117.7 Ų | 117.7 | 61% | 0.607 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -98.3 | -1.3 | -178.3 | -157.6 | 148.8 | 90.9 | 0 | 0 | 113.5 | E64 | E60-E64 HydrophobicContact CG-CG 4.2Å; E60-E64 WeakPolarHBondContact O-CB 3.4Å; E60-E64 WeakPolarHBondContact O-CG 3.44Å; E60-E64 PolarHBondContact O-N 2.93Å |
| 61 | D | 62.8 | Low | 70.9 | Confident | 124 Ų | 124 | 114.5 Ų | 114.5 | 66% | 0.663 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -86.5 | -16.4 | -173.7 | -157.5 | 26.2 | 0 | 0 | 0 | 113.7 | K65 | D61-K65 WeakPolarHBondContact O-CB 3.44Å |
| 62 | E | 75.7 | Confident | 71.6 | Confident | 167 Ų | 167 | 110.9 Ų | 110.9 | 78% | 0.78 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -85.9 | -41.6 | 175.9 | -169.4 | 175.3 | -169 | 0 | 0 | 111.6 | E66 | E62-E66 WeakPolarHBondContact O-CB 3.43Å; E62-E66 PolarHBondContact O-N 2.92Å |
| 63 | F | 79.1 | Confident | 72.4 | Confident | 129 Ų | 129 | 110.4 Ų | 110.4 | 57% | 0.566 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -72.4 | -43.8 | -179.3 | -178.8 | -105.4 | 0 | 0 | 0 | 112.4 | K65 E66 M67 | F63-K65 VanDerWaalsContact C-N 3.26Å; F63-K65 PolarHBondContact O-N 2.8Å; F63-E66 PolarHBondContact O-N 3.03Å; F63-M67 HydrophobicContact CD1-CE 4.4Å; F63-M67 HydrophobicContact CE1-CE 3.56Å; F63-M67 HydrophobicContact CZ-CE 3.92Å; F63-M67 WeakPolarHBondContact O-CB 3.4Å; F63-M67 PolarHBondContact O-N 3.26Å |
| 64 | E | 82.9 | Confident | 73.7 | Confident | 105 Ų | 105 | 111.1 Ų | 111.1 | 49% | 0.491 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.6 | -37.7 | 175.4 | -72.5 | -173.8 | 160 | 0 | 0 | 111.6 | E60 M67 E68 | E60-E64 HydrophobicContact CG-CG 4.2Å; E60-E64 WeakPolarHBondContact O-CB 3.4Å; E60-E64 WeakPolarHBondContact O-CG 3.44Å; E60-E64 PolarHBondContact O-N 2.93Å; E64-M67 PolarHBondContact O-N 3.15Å; E64-E68 WeakPolarHBondContact O-CB 3.47Å; E64-E68 PolarHBondContact O-N 3.11Å |
| 65 | K | 86.9 | Confident | 75.3 | Confident | 149 Ų | 149 | 108.3 Ų | 108.3 | 65% | 0.648 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -70.8 | -36.3 | 177 | -172.5 | 175 | -173.6 | 170.7 | 0 | 112.9 | D61 F63 A69 | D61-K65 WeakPolarHBondContact O-CB 3.44Å; F63-K65 VanDerWaalsContact C-N 3.26Å; F63-K65 PolarHBondContact O-N 2.8Å; K65-A69 VanDerWaalsContact O-CB 3.28Å; K65-A69 WeakPolarHBondContact O-CB 3.45Å; K65-A69 PolarHBondContact O-N 3.06Å |
| 66 | E | 90.8 | Very high | 76.8 | Confident | 111 Ų | 111 | 114.7 Ų | 114.7 | 52% | 0.519 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64.4 | -46.1 | 171 | -176.6 | 173.6 | -155.7 | 0 | 0 | 110.4 | E62 F63 E68 A69 E70 | E62-E66 WeakPolarHBondContact O-CB 3.43Å; E62-E66 PolarHBondContact O-N 2.92Å; F63-E66 PolarHBondContact O-N 3.03Å; E66-E68 PolarHBondContact O-N 3.24Å; E66-A69 CarbonylContact O-C 3.59Å; E66-A69 WeakPolarHBondContact O-CB 3.35Å; E66-A69 PolarHBondContact O-N 2.84Å; E66-A69 VanDerWaalsContact O-N 3.15Å; E66-E70 WeakPolarHBondContact O-CG 3.41Å; E66-E70 PolarHBondContact O-N 3.39Å |
| 67 | M | 90.2 | Very high | 78.8 | Confident | 88 Ų | 88 | 111.2 Ų | 111.2 | 43% | 0.433 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -59.2 | -45.4 | 176 | -178.1 | -175.6 | -65 | 0 | 0 | 111.8 | F63 E64 A69 E70 L71 | F63-M67 HydrophobicContact CD1-CE 4.4Å; F63-M67 HydrophobicContact CE1-CE 3.56Å; F63-M67 HydrophobicContact CZ-CE 3.92Å; F63-M67 WeakPolarHBondContact O-CB 3.4Å; F63-M67 PolarHBondContact O-N 3.26Å; E64-M67 PolarHBondContact O-N 3.15Å; M67-A69 VanDerWaalsContact C-N 3.31Å; M67-A69 PolarHBondContact O-N 2.77Å; M67-E70 PolarHBondContact O-N 3.06Å; M67-L71 HydrophobicContact CG-CD1 3.95Å; M67-L71 HydrophobicContact CG-CG 4.43Å; M67-L71 WeakPolarHBondContact O-CB 3.49Å; M67-L71 VanDerWaalsContact O-CG 3.28Å; M67-L71 WeakPolarHBondContact O-CG 3.4Å; M67-L71 PolarHBondContact O-N 3.07Å |
| 68 | E | 90.3 | Very high | 80.3 | Confident | 144 Ų | 144 | 112.2 Ų | 112.2 | 67% | 0.673 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.4 | -34 | 177.8 | -172.5 | 152.6 | -137.9 | 0 | 0 | 111.8 | E64 E66 S72 | E64-E68 WeakPolarHBondContact O-CB 3.47Å; E64-E68 PolarHBondContact O-N 3.11Å; E66-E68 PolarHBondContact O-N 3.24Å; E68-S72 VanDerWaalsContact O-CB 3.25Å; E68-S72 WeakPolarHBondContact O-CB 3.21Å; E68-S72 PolarHBondContact O-N 3.28Å; E68-S72 PolarHBondContact O-OG 3.23Å |
| 69 | A | 91.9 | Very high | 81.3 | Confident | 56 Ų | 56 | 112.4 Ų | 112.4 | 46% | 0.463 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.4 | -40.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K65 E66 M67 S72 S73 | K65-A69 VanDerWaalsContact O-CB 3.28Å; K65-A69 WeakPolarHBondContact O-CB 3.45Å; K65-A69 PolarHBondContact O-N 3.06Å; E66-A69 CarbonylContact O-C 3.59Å; E66-A69 WeakPolarHBondContact O-CB 3.35Å; E66-A69 PolarHBondContact O-N 2.84Å; E66-A69 VanDerWaalsContact O-N 3.15Å; M67-A69 VanDerWaalsContact C-N 3.31Å; M67-A69 PolarHBondContact O-N 2.77Å; A69-S72 WeakPolarHBondContact CA-OG 3.23Å; A69-S72 PolarHBondContact O-OG 2.76Å; A69-S72 VanDerWaalsContact O-OG 3.05Å; A69-S73 WeakPolarHBondContact O-CB 3.46Å; A69-S73 PolarHBondContact O-N 2.88Å |
| 70 | E | 92.3 | Very high | 82.1 | Confident | 124 Ų | 124 | 110.3 Ų | 110.3 | 58% | 0.579 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -67.7 | -43.5 | 176.1 | -73.2 | -162.1 | 154.2 | 0 | 0 | 112 | E66 M67 S73 T74 | E66-E70 WeakPolarHBondContact O-CG 3.41Å; E66-E70 PolarHBondContact O-N 3.39Å; M67-E70 PolarHBondContact O-N 3.06Å; E70-S73 PolarHBondContact O-N 2.78Å; E70-T74 WeakPolarHBondContact O-CB 3.16Å; E70-T74 PolarHBondContact O-N 2.82Å; E70-T74 PolarHBondContact O-OG1 3.18Å |
| 71 | L | 88.4 | Confident | 82.7 | Confident | 98 Ų | 98 | 109.5 Ų | 109.5 | 51% | 0.513 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.2 | -48.4 | 176.3 | -74.8 | 170.2 | 0 | 0 | 0 | 111.1 | M67 S73 T74 I75 | M67-L71 HydrophobicContact CG-CD1 3.95Å; M67-L71 HydrophobicContact CG-CG 4.43Å; M67-L71 WeakPolarHBondContact O-CB 3.49Å; M67-L71 VanDerWaalsContact O-CG 3.28Å; M67-L71 WeakPolarHBondContact O-CG 3.4Å; M67-L71 PolarHBondContact O-N 3.07Å; L71-S73 PolarHBondContact O-N 2.86Å; L71-T74 PolarHBondContact O-N 2.96Å; L71-I75 VanDerWaalsContact O-CG1 3.3Å; L71-I75 WeakPolarHBondContact O-CG1 3.34Å; L71-I75 PolarHBondContact O-N 3.27Å |
| 72 | S | 89.2 | Confident | 82.2 | Confident | 65 Ų | 65 | 113.8 Ų | 113.8 | 46% | 0.455 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.4 | -37.4 | 178.7 | 58.8 | 0 | 0 | 0 | 0 | 112.6 | E68 A69 R76 | E68-S72 VanDerWaalsContact O-CB 3.25Å; E68-S72 WeakPolarHBondContact O-CB 3.21Å; E68-S72 PolarHBondContact O-N 3.28Å; E68-S72 PolarHBondContact O-OG 3.23Å; A69-S72 WeakPolarHBondContact CA-OG 3.23Å; A69-S72 PolarHBondContact O-OG 2.76Å; A69-S72 VanDerWaalsContact O-OG 3.05Å; S72-R76 VanDerWaalsContact O-CB 3.29Å; S72-R76 WeakPolarHBondContact O-CB 3.44Å; S72-R76 PolarHBondContact O-N 3.46Å |
| 73 | S | 90.3 | Very high | 80.9 | Confident | 69 Ų | 69 | 107.9 Ų | 107.9 | 48% | 0.483 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62 | -43.4 | 172.3 | -176.2 | 0 | 0 | 0 | 0 | 112.1 | A69 E70 L71 R76 T77 | A69-S73 WeakPolarHBondContact O-CB 3.46Å; A69-S73 PolarHBondContact O-N 2.88Å; E70-S73 PolarHBondContact O-N 2.78Å; L71-S73 PolarHBondContact O-N 2.86Å; S73-R76 PolarHBondContact O-N 2.86Å; S73-T77 WeakPolarHBondContact O-CB 3.3Å; S73-T77 PolarHBondContact O-N 2.76Å; S73-T77 PolarHBondContact O-OG1 3.5Å |
| 74 | T | 88.9 | Confident | 79.4 | Confident | 77 Ų | 77 | 107.9 Ų | 107.9 | 47% | 0.472 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.2 | -48.4 | 178.3 | -57 | 0 | 0 | 0 | 0 | 111.2 | E70 L71 R76 T77 M78 | E70-T74 WeakPolarHBondContact O-CB 3.16Å; E70-T74 PolarHBondContact O-N 2.82Å; E70-T74 PolarHBondContact O-OG1 3.18Å; L71-T74 PolarHBondContact O-N 2.96Å; T74-R76 VanDerWaalsContact C-N 3.32Å; T74-R76 PolarHBondContact O-N 3.4Å; T74-T77 WeakPolarHBondContact O-CB 3.28Å; T74-T77 PolarHBondContact O-N 2.99Å; T74-T77 VanDerWaalsContact O-N 3.16Å; T74-M78 HydrophobicContact CG2-SD 4.3Å; T74-M78 WeakPolarHBondContact O-CG 3.41Å; T74-M78 PolarHBondContact O-N 3.49Å |
| 75 | I | 87.7 | Confident | 77.2 | Confident | 90 Ų | 90 | 107.1 Ų | 107.1 | 46% | 0.462 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -58.4 | -45.8 | 176.9 | -69.5 | 165.2 | 0 | 0 | 0 | 110.3 | L71 T77 M78 E79 | L71-I75 VanDerWaalsContact O-CG1 3.3Å; L71-I75 WeakPolarHBondContact O-CG1 3.34Å; L71-I75 PolarHBondContact O-N 3.27Å; I75-T77 VanDerWaalsContact C-N 3.29Å; I75-T77 PolarHBondContact O-N 3.27Å; I75-M78 PolarHBondContact O-N 2.92Å; I75-E79 HydrophobicContact CG2-CG 4.23Å; I75-E79 WeakPolarHBondContact O-CB 3.48Å; I75-E79 VanDerWaalsContact O-CG 3.31Å; I75-E79 WeakPolarHBondContact O-CG 3.41Å; I75-E79 PolarHBondContact O-N 3.42Å |
| 76 | R | 86.3 | Confident | 74.9 | Confident | 198 Ų | 198 | 104.9 Ų | 104.9 | 75% | 0.747 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.2 | -33.7 | 179.4 | -157.3 | 177.8 | -156.9 | 174.8 | 6.6 | 113 | S72 S73 T74 G80 | S72-R76 VanDerWaalsContact O-CB 3.29Å; S72-R76 WeakPolarHBondContact O-CB 3.44Å; S72-R76 PolarHBondContact O-N 3.46Å; S73-R76 PolarHBondContact O-N 2.86Å; T74-R76 VanDerWaalsContact C-N 3.32Å; T74-R76 PolarHBondContact O-N 3.4Å; R76-G80 PolarHBondContact O-N 3.13Å |
| 77 | T | 85.8 | Confident | 72.4 | Confident | 90 Ų | 90 | 106.8 Ų | 106.8 | 55% | 0.552 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -69 | -42.8 | 175.3 | -55.9 | 0 | 0 | 0 | 0 | 111 | S73 T74 I75 G80 T81 | S73-T77 WeakPolarHBondContact O-CB 3.3Å; S73-T77 PolarHBondContact O-N 2.76Å; S73-T77 PolarHBondContact O-OG1 3.5Å; T74-T77 WeakPolarHBondContact O-CB 3.28Å; T74-T77 PolarHBondContact O-N 2.99Å; T74-T77 VanDerWaalsContact O-N 3.16Å; I75-T77 VanDerWaalsContact C-N 3.29Å; I75-T77 PolarHBondContact O-N 3.27Å; T77-G80 PolarHBondContact O-N 3Å; T77-T81 PolarHBondContact O-N 2.89Å; T77-T81 PolarHBondContact O-OG1 3.35Å |
| 78 | M | 74.9 | Confident | 70.1 | Confident | 114 Ų | 114 | 108 Ų | 108 | 56% | 0.562 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -62.6 | -51 | 173.8 | -66.5 | 177.8 | 115.5 | 0 | 0 | 110 | T74 I75 G80 T81 W82 | T74-M78 HydrophobicContact CG2-SD 4.3Å; T74-M78 WeakPolarHBondContact O-CG 3.41Å; T74-M78 PolarHBondContact O-N 3.49Å; I75-M78 PolarHBondContact O-N 2.92Å; M78-G80 VanDerWaalsContact C-N 3.28Å; M78-G80 PolarHBondContact O-N 3.34Å; M78-T81 WeakPolarHBondContact O-CA 3.39Å; M78-T81 VanDerWaalsContact O-CB 3.25Å; M78-T81 WeakPolarHBondContact O-CB 3.46Å; M78-T81 PolarHBondContact O-N 3.49Å; M78-W82 PolarHBondContact O-N 2.87Å |
| 79 | E | 74.6 | Confident | 67.7 | Low | 126 Ų | 126 | 108.3 Ų | 108.3 | 59% | 0.589 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -56.7 | -37.1 | 178.3 | -72.6 | 176.8 | 165.4 | 0 | 0 | 113.5 | I75 T81 W82 G83 | I75-E79 HydrophobicContact CG2-CG 4.23Å; I75-E79 WeakPolarHBondContact O-CB 3.48Å; I75-E79 VanDerWaalsContact O-CG 3.31Å; I75-E79 WeakPolarHBondContact O-CG 3.41Å; I75-E79 PolarHBondContact O-N 3.42Å; E79-T81 PolarHBondContact O-N 2.94Å; E79-W82 PolarHBondContact O-N 3.26Å; E79-G83 PolarHBondContact O-N 2.81Å |
| 80 | G | 63.5 | Low | 64.9 | Low | 63 Ų | 63 | 109.2 Ų | 109.2 | 65% | 0.649 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -66.7 | -24.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | R76 T77 M78 | R76-G80 PolarHBondContact O-N 3.13Å; T77-G80 PolarHBondContact O-N 3Å; M78-G80 VanDerWaalsContact C-N 3.28Å; M78-G80 PolarHBondContact O-N 3.34Å |
| 81 | T | 63.5 | Low | 62.1 | Low | 112 Ų | 112 | 107.5 Ų | 107.5 | 69% | 0.687 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -81.3 | -24.4 | 176.3 | -51.5 | 0 | 0 | 0 | 0 | 111.8 | T77 M78 E79 | T77-T81 PolarHBondContact O-N 2.89Å; T77-T81 PolarHBondContact O-OG1 3.35Å; M78-T81 WeakPolarHBondContact O-CA 3.39Å; M78-T81 VanDerWaalsContact O-CB 3.25Å; M78-T81 WeakPolarHBondContact O-CB 3.46Å; M78-T81 PolarHBondContact O-N 3.49Å; E79-T81 PolarHBondContact O-N 2.94Å |
| 82 | W | 54.2 | Low | 59.4 | Low | 214 Ų | 214 | 106.6 Ų | 106.6 | 81% | 0.811 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -95.5 | 2.7 | 179.8 | -60.8 | 105.6 | 0 | 0 | 0 | 114.2 | M78 E79 | M78-W82 PolarHBondContact O-N 2.87Å; E79-W82 PolarHBondContact O-N 3.26Å |
| 83 | G | 47.5 | Very low | 56.7 | Low | 44 Ų | 44 | 109.5 Ų | 109.5 | 45% | 0.454 | 70% | 0.701 | S | S | . | * | S | Bend | trans | -70.6 | 136.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E79 A85 | E79-G83 PolarHBondContact O-N 2.81Å; G83-A85 PolarHBondContact O-N 3.38Å |
| 84 | P | 46.5 | Very low | 54.2 | Low | 128 Ų | 128 | 111.2 Ų | 111.2 | 83% | 0.831 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 123.9 | 179.1 | 25.9 | -32.3 | 0 | 0 | 0 | 109.3 | A86 | P84-A86 PolarHBondContact O-N 3.08Å; P84-A86 VanDerWaalsContact O-N 3.11Å |
| 85 | A | 36.7 | Very low | 51.5 | Low | 90 Ų | 90 | 110.7 Ų | 110.7 | 74% | 0.744 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 119.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | G83 D87 | G83-A85 PolarHBondContact O-N 3.38Å; A85-D87 PolarHBondContact O-N 2.66Å |
| 86 | A | 40.4 | Very low | 49 | Very low | 102 Ų | 102 | 111.6 Ų | 111.6 | 84% | 0.843 | 75% | 0.75 | S | S | * | * | trans | -63.6 | 103.2 | 171 | 0 | 0 | 0 | 0 | 0 | 108.3 | P84 | P84-A86 PolarHBondContact O-N 3.08Å; P84-A86 VanDerWaalsContact O-N 3.11Å | ||
| 87 | D | 37.3 | Very low | 46.7 | Very low | 151 Ų | 151 | 107.4 Ų | 107.4 | 81% | 0.807 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 132.9 | 174.9 | -98.6 | -36 | 0 | 0 | 0 | 111 | A85 | A85-D87 PolarHBondContact O-N 2.66Š|
| 88 | P | 42.6 | Very low | 43.9 | Very low | 112 Ų | 112 | 108.1 Ų | 108.1 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -76 | 141.2 | 159.3 | 32.3 | -29 | 0 | 0 | 0 | 109.8 | ||
| 89 | T | 39.9 | Very low | 42.4 | Very low | 151 Ų | 151 | 109.7 Ų | 109.7 | 93% | 0.926 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 132.1 | 179.5 | -36 | 0 | 0 | 0 | 0 | 114 | ||
| 90 | G | 32 | Very low | 41.6 | Very low | 75 Ų | 75 | 108 Ų | 108 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | 161 | 75.2 | 160.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 91 | G | 33.4 | Very low | 41.6 | Very low | 89 Ų | 89 | 114.1 Ų | 114.1 | 92% | 0.918 | 79% | 0.786 | S | S | * | * | trans | 55 | 122.8 | 136.9 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 92 | G | 31.9 | Very low | 41.8 | Very low | 78 Ų | 78 | 112.4 Ų | 112.4 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 139.2 | 80.1 | 140.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 93 | S | 33.7 | Very low | 43 | Very low | 127 Ų | 127 | 109.6 Ų | 109.6 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | trans | 50 | 131.9 | 140.1 | -159 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 94 | A | 36.8 | Very low | 44.5 | Very low | 105 Ų | 105 | 111.6 Ų | 111.6 | 87% | 0.868 | 77% | 0.771 | S | S | * | * | trans | 96.1 | 86.3 | 151.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 95 | G | 31.8 | Very low | 46.2 | Very low | 66 Ų | 66 | 110.1 Ų | 110.1 | 68% | 0.68 | 75% | 0.749 | S | S | * | * | trans | -179 | 88.1 | 162 | 0 | 0 | 0 | 0 | 0 | 108 | S97 | G95-S97 PolarHBondContact O-N 2.99Š| ||
| 96 | A | 36.6 | Very low | 48.3 | Very low | 108 Ų | 108 | 111 Ų | 111 | 89% | 0.893 | 74% | 0.742 | S | S | * | * | trans | -71.3 | 79.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | C98 | A96-C98 PolarHBondContact O-N 3.06Å; A96-C98 VanDerWaalsContact O-N 3.16Å | ||
| 97 | S | 36.7 | Very low | 49.7 | Very low | 110 Ų | 110 | 114 Ų | 114 | 77% | 0.769 | 74% | 0.736 | S | S | * | * | trans | -71.7 | 101.1 | 160.4 | -54.5 | 0 | 0 | 0 | 0 | 106.6 | G95 V99 | G95-S97 PolarHBondContact O-N 2.99Å; S97-V99 PolarHBondContact O-N 3.37Å | ||
| 98 | C | 28.3 | Very low | 51.3 | Low | 106 Ų | 106 | 111.4 Ų | 111.4 | 72% | 0.716 | 73% | 0.725 | S | S | * | * | trans | -56.9 | 113.7 | 170.7 | 49.8 | 0 | 0 | 0 | 0 | 108.1 | A96 S100 | A96-C98 PolarHBondContact O-N 3.06Å; A96-C98 VanDerWaalsContact O-N 3.16Å; C98-S100 PolarHBondContact O-N 3.1Å | ||
| 99 | V | 41.6 | Very low | 52.8 | Low | 146 Ų | 146 | 114 Ų | 114 | 89% | 0.885 | 72% | 0.721 | S | S | * | * | trans | -71.1 | 79.7 | 163.7 | -176.9 | 0 | 0 | 0 | 0 | 105.8 | S97 | S97-V99 PolarHBondContact O-N 3.37Š| ||
| 100 | S | 59.5 | Low | 54.2 | Low | 92 Ų | 92 | 111 Ų | 111 | 64% | 0.643 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 131.9 | 170.3 | 41.3 | 0 | 0 | 0 | 0 | 107.4 | C98 | C98-S100 PolarHBondContact O-N 3.1Š|
| 101 | K | 63 | Low | 55.7 | Low | 191 Ų | 191 | 112.6 Ų | 112.6 | 83% | 0.83 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -53 | 140.3 | 173.6 | -66.4 | 168.2 | -178.8 | 169.1 | 0 | 108.2 | Q103 | K101-Q103 PolarHBondContact O-N 2.96Å; K101-Q103 VanDerWaalsContact O-N 3.13Å |
| 102 | P | 67.7 | Low | 57.1 | Low | 76 Ų | 76 | 114.2 Ų | 114.2 | 49% | 0.494 | 68% | 0.684 | S | S | . | * | P | Polyproline II helix | trans | -50.8 | 125 | 179.1 | 18.2 | -30 | 0 | 0 | 0 | 108.9 | M104 I132 | P102-M104 HydrophobicContact CG-CE 4.08Å; P102-M104 WeakPolarHBondContact O-CG 3.33Å; P102-M104 PolarHBondContact O-N 3.1Å; P102-I132 HydrophobicContact CB-CG1 4.4Å; P102-I132 HydrophobicContact CB-CG2 3.99Å |
| 103 | Q | 78.1 | Confident | 58.2 | Low | 154 Ų | 154 | 118.2 Ų | 118.2 | 72% | 0.72 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 125.9 | -179.3 | -161.5 | 168.8 | -3.3 | 0 | 0 | 106.9 | K101 V133 | K101-Q103 PolarHBondContact O-N 2.96Å; K101-Q103 VanDerWaalsContact O-N 3.13Å; Q103-V133 HydrophobicContact CB-CB 4.48Å; Q103-V133 HydrophobicContact CB-CG2 4.43Å; Q103-V133 WeakPolarHBondContact O-CB 3.33Å; Q103-V133 VanDerWaalsContact O-CG2 3.32Å; Q103-V133 WeakPolarHBondContact O-CG2 3.47Å; Q103-V133 PolarHBondContact O-N 2.99Å |
| 104 | M | 80.6 | Confident | 59 | Low | 87 Ų | 87 | 115.2 Ų | 115.2 | 43% | 0.429 | 67% | 0.666 | S | S | . | * | B | Isolated β-bridge | trans | -110.6 | 142.9 | -177.4 | -63 | -100.3 | 179.5 | 0 | 0 | 108.5 | P102 R131 I132 | P102-M104 HydrophobicContact CG-CE 4.08Å; P102-M104 WeakPolarHBondContact O-CG 3.33Å; P102-M104 PolarHBondContact O-N 3.1Å; M104-R131 CarbonylContact C-O 3.55Å; M104-R131 WeakPolarHBondContact CA-O 3.41Å; M104-R131 HydrophobicContact SD-CB 4.01Å; M104-I132 HydrophobicContact CE-CD1 4.06Å; M104-I132 HydrophobicContact CE-CG1 3.3Å; M104-I132 HydrophobicContact SD-CB 4.42Å; M104-I132 HydrophobicContact SD-CG1 3.65Å |
| 105 | Y | 82.3 | Confident | 59.7 | Low | 97 Ų | 97 | 119.1 Ų | 119.1 | 38% | 0.38 | 67% | 0.666 | S | S | . | * | trans | -59.3 | 145.6 | 172.2 | -74.2 | -75.7 | 0 | 0 | 0 | 110.9 | F110 R131 V133 | Y105-F110 HydrophobicContact CD2-CE2 4.46Å; Y105-F110 HydrophobicContact CG-CE2 4.4Å; Y105-R131 PolarHBondContact N-O 2.69Å; Y105-V133 HydrophobicContact CD1-CG2 4.12Å; Y105-V133 HydrophobicContact CD2-CG2 3.74Å; Y105-V133 HydrophobicContact CE1-CG2 4.06Å; Y105-V133 HydrophobicContact CE2-CB 4.13Å; Y105-V133 HydrophobicContact CE2-CG1 4.39Å; Y105-V133 HydrophobicContact CE2-CG2 3.69Å; Y105-V133 HydrophobicContact CG-CG2 3.96Å | ||
| 106 | D | 80.8 | Confident | 60.8 | Low | 108 Ų | 108 | 123 Ų | 123 | 58% | 0.578 | 67% | 0.671 | S | S | * | * | trans | -61.2 | 144.8 | -179.4 | -163.9 | 1.3 | 0 | 0 | 0 | 110.7 | V108 Y109 | D106-V108 HydrophobicContact CB-CG2 4.08Å; D106-V108 PolarHBondContact O-N 2.91Å; D106-V108 WeakPolarHBondContact OD2-CG2 3.17Å; D106-Y109 VanDerWaalsContact O-CB 3.28Å; D106-Y109 WeakPolarHBondContact O-CB 3.31Å; D106-Y109 PolarHBondContact O-N 2.75Å | ||
| 107 | K | 69 | Low | 61.4 | Low | 166 Ų | 166 | 123.7 Ų | 123.7 | 72% | 0.722 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -63.2 | -32.1 | -174.9 | -64 | 175.9 | -177 | 177.8 | 0 | 111.9 | Y109 F110 | K107-Y109 PolarHBondContact O-N 2.95Å; K107-F110 PolarHBondContact O-N 2.81Å |
| 108 | V | 72.1 | Confident | 61.9 | Low | 95 Ų | 95 | 125.6 Ų | 125.6 | 58% | 0.576 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -66.4 | -22.4 | 175.1 | -92.7 | 0 | 0 | 0 | 0 | 113.4 | D106 F110 D111 | D106-V108 HydrophobicContact CB-CG2 4.08Å; D106-V108 PolarHBondContact O-N 2.91Å; D106-V108 WeakPolarHBondContact OD2-CG2 3.17Å; V108-F110 VanDerWaalsContact C-N 3.31Å; V108-F110 PolarHBondContact O-N 3Å; V108-D111 PolarHBondContact O-N 3.18Å |
| 109 | Y | 73.5 | Confident | 62.9 | Low | 167 Ų | 167 | 124.7 Ų | 124.7 | 66% | 0.655 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -69 | -29.1 | 178.6 | -176.6 | -98.5 | 0 | 0 | 0 | 112.8 | D106 K107 | D106-Y109 VanDerWaalsContact O-CB 3.28Å; D106-Y109 WeakPolarHBondContact O-CB 3.31Å; D106-Y109 PolarHBondContact O-N 2.75Å; K107-Y109 PolarHBondContact O-N 2.95Å |
| 110 | F | 68.9 | Low | 63.1 | Low | 88 Ų | 88 | 124.2 Ų | 124.2 | 39% | 0.386 | 65% | 0.653 | S | S | . | * | G | 310 helix | trans | -101.4 | 2.3 | -179.8 | -79.4 | -90 | 0 | 0 | 0 | 113.8 | Y105 K107 V108 S112 R131 | Y105-F110 HydrophobicContact CD2-CE2 4.46Å; Y105-F110 HydrophobicContact CG-CE2 4.4Å; K107-F110 PolarHBondContact O-N 2.81Å; V108-F110 VanDerWaalsContact C-N 3.31Å; V108-F110 PolarHBondContact O-N 3Å; F110-S112 VanDerWaalsContact C-N 3.3Å; F110-S112 PolarHBondContact O-N 3.01Å; F110-R131 HydrophobicContact CD2-CG 4.15Å; F110-R131 HydrophobicContact CE2-CG 4.05Å |
| 111 | D | 62.8 | Low | 62.8 | Low | 109 Ų | 109 | 123.4 Ų | 123.4 | 58% | 0.583 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -6.5 | -171.9 | -157.6 | 22.8 | 0 | 0 | 0 | 113.5 | V108 | V108-D111 PolarHBondContact O-N 3.18Š|
| 112 | S | 62.9 | Low | 62.3 | Low | 123 Ų | 123 | 117.2 Ų | 117.2 | 86% | 0.86 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -6.6 | 179.9 | -67.3 | 0 | 0 | 0 | 0 | 115 | F110 | F110-S112 VanDerWaalsContact C-N 3.3Å; F110-S112 PolarHBondContact O-N 3.01Å |
| 113 | D | 55.4 | Low | 61.9 | Low | 162 Ų | 162 | 116.3 Ų | 116.3 | 87% | 0.866 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -129.3 | 16.4 | 178.9 | -159.2 | 23.9 | 0 | 0 | 0 | 112.5 | ||
| 114 | S | 50.6 | Low | 61.1 | Low | 64 Ų | 64 | 114.1 Ų | 114.1 | 45% | 0.448 | 63% | 0.632 | S | S | . | * | trans | -115.5 | 72.6 | 179.9 | 171.7 | 0 | 0 | 0 | 0 | 109.1 | D116 | S114-D116 PolarHBondContact O-N 3.33Š| ||
| 115 | E | 52.2 | Low | 60.3 | Low | 186 Ų | 186 | 114.2 Ų | 114.2 | 87% | 0.869 | 63% | 0.634 | S | S | * | * | trans | -58 | 126.3 | 155.6 | -60.2 | -169.4 | 127.5 | 0 | 0 | 107.1 | D117 | E115-D117 VanDerWaalsContact C-N 3.34Å; E115-D117 PolarHBondContact O-N 2.78Å | ||
| 116 | D | 54 | Low | 59.4 | Low | 148 Ų | 148 | 118.3 Ų | 118.3 | 79% | 0.791 | 65% | 0.649 | S | S | * | * | trans | -56.4 | 87 | -175 | -70.8 | -68.5 | 0 | 0 | 0 | 112.6 | S114 D118 | S114-D116 PolarHBondContact O-N 3.33Å; D116-D118 PolarHBondContact O-N 2.87Å | ||
| 117 | D | 48.6 | Very low | 58.7 | Low | 123 Ų | 123 | 118.3 Ų | 118.3 | 66% | 0.658 | 64% | 0.641 | S | S | * | * | trans | -94.9 | 85.3 | 163.2 | -121.7 | -46.6 | 0 | 0 | 0 | 108.4 | E115 T119 | E115-D117 VanDerWaalsContact C-N 3.34Å; E115-D117 PolarHBondContact O-N 2.78Å; D117-T119 PolarHBondContact O-N 3.46Å; D117-T119 PolarHBondContact OD1-OG1 2.83Å | ||
| 118 | D | 48.8 | Very low | 58.7 | Low | 150 Ų | 150 | 118.3 Ų | 118.3 | 80% | 0.802 | 64% | 0.637 | S | S | * | * | trans | -66.5 | 59.1 | 164.6 | -85.5 | -46.6 | 0 | 0 | 0 | 110.2 | D116 P120 | D116-D118 PolarHBondContact O-N 2.87Å; D118-P120 VanDerWaalsContact O-CD 3.3Å; D118-P120 WeakPolarHBondContact O-CD 3.39Å | ||
| 119 | T | 49.5 | Very low | 58.5 | Low | 87 Ų | 87 | 122.2 Ų | 122.2 | 53% | 0.534 | 64% | 0.641 | S | S | . | * | trans | -83.1 | 112.9 | 170.8 | -18.4 | 0 | 0 | 0 | 0 | 109 | D117 G121 | D117-T119 PolarHBondContact O-N 3.46Å; D117-T119 PolarHBondContact OD1-OG1 2.83Å; T119-G121 PolarHBondContact O-N 3.35Å | ||
| 120 | P | 45 | Very low | 58.2 | Low | 136 Ų | 136 | 121 Ų | 121 | 88% | 0.883 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | 88.3 | -177.8 | 31 | -32.9 | 0 | 0 | 0 | 109.4 | D118 | D118-P120 VanDerWaalsContact O-CD 3.3Å; D118-P120 WeakPolarHBondContact O-CD 3.39Å |
| 121 | G | 53.2 | Low | 58.6 | Low | 74 Ų | 74 | 120.6 Ų | 120.6 | 76% | 0.763 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 168.5 | -17 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | T119 S123 | T119-G121 PolarHBondContact O-N 3.35Å; G121-S123 PolarHBondContact O-N 2.99Å; G121-S123 VanDerWaalsContact O-N 3.12Å |
| 122 | S | 53.2 | Low | 59.6 | Low | 62 Ų | 62 | 118.3 Ų | 118.3 | 43% | 0.434 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -74.7 | 106.6 | 174.8 | -169.6 | 0 | 0 | 0 | 0 | 109.3 | T124 | S122-T124 PolarHBondContact O-N 3.41Š|
| 123 | S | 58.2 | Low | 60.5 | Low | 56 Ų | 56 | 114.6 Ų | 114.6 | 39% | 0.392 | 60% | 0.596 | S | S | . | * | trans | -46.7 | 109.8 | -175.3 | 61.9 | 0 | 0 | 0 | 0 | 111.2 | G121 D125 R126 | G121-S123 PolarHBondContact O-N 2.99Å; G121-S123 VanDerWaalsContact O-N 3.12Å; S123-D125 PolarHBondContact O-N 3.45Å; S123-R126 PolarHBondContact O-N 3.01Å; S123-R126 WeakPolarHBondContact OG-CD 3.36Å; S123-R126 VanDerWaalsContact OG-CG 3.31Å; S123-R126 WeakPolarHBondContact OG-CG 3.31Å | ||
| 124 | T | 62.4 | Low | 61.9 | Low | 108 Ų | 108 | 108.6 Ų | 108.6 | 66% | 0.663 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -53.1 | -23 | 179 | 50.3 | 0 | 0 | 0 | 0 | 112.8 | S122 R128 | S122-T124 PolarHBondContact O-N 3.41Å; T124-R128 WeakPolarHBondContact O-CG 3.44Å; T124-R128 PolarHBondContact O-N 2.88Å; T124-R128 VanDerWaalsContact O-N 3.14Å |
| 125 | D | 62.5 | Low | 63.5 | Low | 90 Ų | 90 | 108.5 Ų | 108.5 | 48% | 0.481 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.8 | -45 | 174.9 | -146.7 | -73.9 | 0 | 0 | 0 | 113.4 | S123 R127 R128 R129 | S123-D125 PolarHBondContact O-N 3.45Å; D125-R127 PolarHBondContact O-N 2.95Å; D125-R128 WeakPolarHBondContact O-CB 3.25Å; D125-R128 PolarHBondContact O-N 3.16Å; D125-R128 VanDerWaalsContact O-N 3.12Å; D125-R129 WeakPolarHBondContact O-CG 3.44Å; D125-R129 PolarHBondContact O-N 2.95Å; D125-R129 IonicContact OD1-CZ 3.49Å; D125-R129 IonicContact OD1-NE 2.66Å; D125-R129 PolarHBondContact OD1-NE 2.89Å; D125-R129 IonicContact OD1-NH2 3.46Å |
| 126 | R | 64.2 | Low | 65 | Low | 183 Ų | 183 | 103 Ų | 103 | 69% | 0.691 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.6 | -42.4 | 177.3 | -76 | -175.8 | 174.5 | -169.4 | -1.7 | 112 | S123 R128 R129 Q130 | S123-R126 PolarHBondContact O-N 3.01Å; S123-R126 WeakPolarHBondContact OG-CD 3.36Å; S123-R126 VanDerWaalsContact OG-CG 3.31Å; S123-R126 WeakPolarHBondContact OG-CG 3.31Å; R126-R128 PolarHBondContact O-N 3.3Å; R126-R129 PolarHBondContact O-N 2.82Å; R126-Q130 WeakPolarHBondContact O-CG 3.4Å; R126-Q130 PolarHBondContact O-N 3.43Å; R126-Q130 VanDerWaalsContact O-N 3.08Å |
| 127 | R | 66.6 | Low | 66.3 | Low | 107 Ų | 107 | 102.6 Ų | 102.6 | 40% | 0.404 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.2 | -23.4 | 175.2 | -66.2 | -175.1 | -177.1 | -178.9 | -1.4 | 112.9 | D125 R131 | D125-R127 PolarHBondContact O-N 2.95Å; R127-R131 PolarHBondContact O-NE 3.45Å |
| 128 | R | 68.4 | Low | 68 | Low | 167 Ų | 167 | 103 Ų | 103 | 63% | 0.63 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -79.3 | -40.5 | 172.5 | -79.7 | 178.9 | -178.8 | -148.7 | 2.1 | 111.1 | T124 D125 R126 Q130 R131 I132 | T124-R128 WeakPolarHBondContact O-CG 3.44Å; T124-R128 PolarHBondContact O-N 2.88Å; T124-R128 VanDerWaalsContact O-N 3.14Å; D125-R128 WeakPolarHBondContact O-CB 3.25Å; D125-R128 PolarHBondContact O-N 3.16Å; D125-R128 VanDerWaalsContact O-N 3.12Å; R126-R128 PolarHBondContact O-N 3.3Å; R128-Q130 PolarHBondContact O-N 3.3Å; R128-R131 PolarHBondContact O-N 3.29Å; R128-I132 PolarHBondContact O-N 3.1Å |
| 129 | R | 67.3 | Low | 69.8 | Low | 177 Ų | 177 | 100.8 Ų | 100.8 | 67% | 0.668 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.2 | -41.7 | 176.4 | -71 | 174.4 | -178.2 | -115.6 | 0.8 | 112.6 | D125 R126 R131 I132 | D125-R129 WeakPolarHBondContact O-CG 3.44Å; D125-R129 PolarHBondContact O-N 2.95Å; D125-R129 IonicContact OD1-CZ 3.49Å; D125-R129 IonicContact OD1-NE 2.66Å; D125-R129 PolarHBondContact OD1-NE 2.89Å; D125-R129 IonicContact OD1-NH2 3.46Å; R126-R129 PolarHBondContact O-N 2.82Å; R129-R131 PolarHBondContact O-N 3Å; R129-I132 WeakPolarHBondContact O-CB 3.49Å; R129-I132 PolarHBondContact O-N 2.91Å |
| 130 | Q | 68.3 | Low | 71.4 | Confident | 141 Ų | 141 | 104.5 Ų | 104.5 | 66% | 0.659 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -17.4 | 176.3 | -72.2 | 174.7 | -15.2 | 0 | 0 | 114.7 | R126 R128 | R126-Q130 WeakPolarHBondContact O-CG 3.4Å; R126-Q130 PolarHBondContact O-N 3.43Å; R126-Q130 VanDerWaalsContact O-N 3.08Å; R128-Q130 PolarHBondContact O-N 3.3Å |
| 131 | R | 76.4 | Confident | 73.5 | Confident | 80 Ų | 80 | 104 Ų | 104 | 30% | 0.302 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -5.2 | 179.7 | -78.7 | -174.9 | -87.3 | -161.2 | -9.1 | 113.3 | M104 Y105 F110 R127 R128 R129 V133 | M104-R131 CarbonylContact C-O 3.55Å; M104-R131 WeakPolarHBondContact CA-O 3.41Å; M104-R131 HydrophobicContact SD-CB 4.01Å; Y105-R131 PolarHBondContact N-O 2.69Å; F110-R131 HydrophobicContact CD2-CG 4.15Å; F110-R131 HydrophobicContact CE2-CG 4.05Å; R127-R131 PolarHBondContact O-NE 3.45Å; R128-R131 PolarHBondContact O-N 3.29Å; R129-R131 PolarHBondContact O-N 3Å; R131-V133 PolarHBondContact O-N 2.84Å |
| 132 | I | 84.4 | Confident | 75 | Confident | 61 Ų | 61 | 103.1 Ų | 103.1 | 31% | 0.313 | 50% | 0.5 | S | S | . | . | B | Isolated β-bridge | trans | -69.2 | 127 | 172.9 | -64.3 | 168.5 | 0 | 0 | 0 | 107.1 | P102 M104 R128 R129 P134 | P102-I132 HydrophobicContact CB-CG1 4.4Å; P102-I132 HydrophobicContact CB-CG2 3.99Å; M104-I132 HydrophobicContact CE-CD1 4.06Å; M104-I132 HydrophobicContact CE-CG1 3.3Å; M104-I132 HydrophobicContact SD-CB 4.42Å; M104-I132 HydrophobicContact SD-CG1 3.65Å; R128-I132 PolarHBondContact O-N 3.1Å; R129-I132 WeakPolarHBondContact O-CB 3.49Å; R129-I132 PolarHBondContact O-N 2.91Å; I132-P134 VanDerWaalsContact O-CD 3.31Å; I132-P134 WeakPolarHBondContact O-CD 3.38Å |
| 133 | V | 82.1 | Confident | 76.7 | Confident | 44 Ų | 44 | 103 Ų | 103 | 27% | 0.267 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 120.5 | 170.4 | 178.9 | 0 | 0 | 0 | 0 | 107 | Q103 Y105 R131 S135 | Q103-V133 HydrophobicContact CB-CB 4.48Å; Q103-V133 HydrophobicContact CB-CG2 4.43Å; Q103-V133 WeakPolarHBondContact O-CB 3.33Å; Q103-V133 VanDerWaalsContact O-CG2 3.32Å; Q103-V133 WeakPolarHBondContact O-CG2 3.47Å; Q103-V133 PolarHBondContact O-N 2.99Å; Y105-V133 HydrophobicContact CD1-CG2 4.12Å; Y105-V133 HydrophobicContact CD2-CG2 3.74Å; Y105-V133 HydrophobicContact CE1-CG2 4.06Å; Y105-V133 HydrophobicContact CE2-CB 4.13Å; Y105-V133 HydrophobicContact CE2-CG1 4.39Å; Y105-V133 HydrophobicContact CE2-CG2 3.69Å; Y105-V133 HydrophobicContact CG-CG2 3.96Å; R131-V133 PolarHBondContact O-N 2.84Å; V133-S135 PolarHBondContact O-N 2.91Å |
| 134 | P | 83.3 | Confident | 78.2 | Confident | 36 Ų | 36 | 105 Ų | 105 | 23% | 0.234 | 50% | 0.504 | C | S | . | . | P | Polyproline II helix | trans | -55.6 | 139.2 | 176.3 | -27.5 | 37.3 | 0 | 0 | 0 | 110.8 | I132 E138 L139 | I132-P134 VanDerWaalsContact O-CD 3.31Å; I132-P134 WeakPolarHBondContact O-CD 3.38Å; P134-E138 WeakPolarHBondContact CA-OE2 3.48Å; P134-E138 HydrophobicContact CB-CB 4.2Å; P134-E138 HydrophobicContact CB-CG 4.05Å; P134-L139 HydrophobicContact CB-CD1 4.45Å; P134-L139 HydrophobicContact CB-CD2 3.75Å; P134-L139 HydrophobicContact CB-CG 3.86Å; P134-L139 HydrophobicContact CG-CD2 4.25Å |
| 135 | S | 84.4 | Confident | 79.5 | Confident | 62 Ų | 62 | 104.5 Ų | 104.5 | 43% | 0.434 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -69 | 158.2 | 173.5 | 66.3 | 0 | 0 | 0 | 0 | 110.6 | V133 D137 E138 L139 | V133-S135 PolarHBondContact O-N 2.91Å; S135-D137 PolarHBondContact O-N 2.92Å; S135-E138 WeakPolarHBondContact O-CA 3.47Å; S135-E138 WeakPolarHBondContact O-CB 3.34Å; S135-E138 PolarHBondContact O-N 3.12Å; S135-E138 PolarHBondContact OG-N 3.39Å; S135-L139 PolarHBondContact O-N 3.49Å |
| 136 | N | 85.1 | Confident | 80.8 | Confident | 71 Ų | 71 | 105.7 Ų | 105.7 | 38% | 0.38 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -39.7 | 174.3 | -84.6 | -4.7 | 0 | 0 | 0 | 112.1 | E138 L139 L140 Y141 | N136-E138 VanDerWaalsContact C-N 3.32Å; N136-E138 PolarHBondContact O-N 3.31Å; N136-L139 CarbonylContact O-C 3.59Å; N136-L139 PolarHBondContact O-N 3.14Å; N136-L139 VanDerWaalsContact O-N 3.16Å; N136-L140 PolarHBondContact O-N 2.97Å; N136-Y141 CarbonylContact C-O 3.52Å; N136-Y141 VanDerWaalsContact CB-O 3.31Å; N136-Y141 WeakPolarHBondContact CB-O 3.31Å; N136-Y141 PolarHBondContact O-N 3.34Å |
| 137 | D | 80.7 | Confident | 82.1 | Confident | 140 Ų | 140 | 102.5 Ų | 102.5 | 75% | 0.749 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -34.6 | 175.5 | -60 | -26 | 0 | 0 | 0 | 112.8 | S135 L140 | S135-D137 PolarHBondContact O-N 2.92Å; D137-L140 PolarHBondContact O-N 3.22Å |
| 138 | E | 84.1 | Confident | 83.3 | Confident | 131 Ų | 131 | 104.2 Ų | 104.2 | 61% | 0.612 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -30.7 | 175 | -174.5 | 177.6 | 179.5 | 0 | 0 | 112 | P134 S135 N136 L140 | P134-E138 WeakPolarHBondContact CA-OE2 3.48Å; P134-E138 HydrophobicContact CB-CB 4.2Å; P134-E138 HydrophobicContact CB-CG 4.05Å; S135-E138 WeakPolarHBondContact O-CA 3.47Å; S135-E138 WeakPolarHBondContact O-CB 3.34Å; S135-E138 PolarHBondContact O-N 3.12Å; S135-E138 PolarHBondContact OG-N 3.39Å; N136-E138 VanDerWaalsContact C-N 3.32Å; N136-E138 PolarHBondContact O-N 3.31Å; E138-L140 PolarHBondContact O-N 3.16Å |
| 139 | L | 85.8 | Confident | 84.3 | Confident | 103 Ų | 103 | 100.7 Ų | 100.7 | 54% | 0.539 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -1.8 | 173 | -64.2 | 177 | 0 | 0 | 0 | 113 | P134 S135 N136 Y141 | P134-L139 HydrophobicContact CB-CD1 4.45Å; P134-L139 HydrophobicContact CB-CD2 3.75Å; P134-L139 HydrophobicContact CB-CG 3.86Å; P134-L139 HydrophobicContact CG-CD2 4.25Å; S135-L139 PolarHBondContact O-N 3.49Å; N136-L139 CarbonylContact O-C 3.59Å; N136-L139 PolarHBondContact O-N 3.14Å; N136-L139 VanDerWaalsContact O-N 3.16Å; L139-Y141 PolarHBondContact O-N 3.07Å; L139-Y141 VanDerWaalsContact O-N 3.15Å |
| 140 | L | 84.8 | Confident | 85.3 | Confident | 166 Ų | 166 | 96.3 Ų | 96.3 | 87% | 0.869 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 29.5 | -171.8 | -61.3 | 162.7 | 0 | 0 | 0 | 112.1 | N136 D137 E138 | N136-L140 PolarHBondContact O-N 2.97Å; D137-L140 PolarHBondContact O-N 3.22Å; E138-L140 PolarHBondContact O-N 3.16Å |
| 141 | Y | 87.3 | Confident | 86.3 | Confident | 125 Ų | 125 | 92.4 Ų | 92.4 | 49% | 0.49 | 48% | 0.476 | S | S | . | . | trans | -107.1 | 113 | -178.8 | 179.6 | -112.2 | 0 | 0 | 0 | 109.4 | N136 L139 P143 | N136-Y141 CarbonylContact C-O 3.52Å; N136-Y141 VanDerWaalsContact CB-O 3.31Å; N136-Y141 WeakPolarHBondContact CB-O 3.31Å; N136-Y141 PolarHBondContact O-N 3.34Å; L139-Y141 PolarHBondContact O-N 3.07Å; L139-Y141 VanDerWaalsContact O-N 3.15Å; Y141-P143 HydrophobicContact CE1-CB 4.28Å; Y141-P143 WeakPolarHBondContact O-CD 3.44Å | ||
| 142 | D | 86.4 | Confident | 86.8 | Confident | 55 Ų | 55 | 96.5 Ų | 96.5 | 29% | 0.294 | 49% | 0.492 | S | S | . | . | trans | -91.3 | 110.1 | 173.3 | 179.5 | 2.9 | 0 | 0 | 0 | 109.5 | D144 E145 R148 | D142-D144 PolarHBondContact O-N 2.97Å; D142-D144 PolarHBondContact OD1-N 2.81Å; D142-E145 HydrophobicContact CB-CB 4.06Å; D142-E145 PolarHBondContact O-N 2.92Å; D142-R148 IonicContact OD2-CZ 3.11Å; D142-R148 IonicContact OD2-NE 2.82Å; D142-R148 IonicContact OD2-NH2 3.97Å; D142-R148 PolarHBondContact OD2-NH2 3.25Å | ||
| 143 | P | 88.5 | Confident | 86.9 | Confident | 59 Ų | 59 | 95.6 Ų | 95.6 | 38% | 0.383 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -18.6 | 179.9 | 30 | -36.9 | 0 | 0 | 0 | 113.5 | Y141 | Y141-P143 HydrophobicContact CE1-CB 4.28Å; Y141-P143 WeakPolarHBondContact O-CD 3.44Å |
| 144 | D | 90.3 | Very high | 87 | Confident | 98 Ų | 98 | 95.3 Ų | 95.3 | 52% | 0.524 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | -2.3 | -176.4 | -61 | -32.6 | 0 | 0 | 0 | 112.4 | D142 D147 R148 | D142-D144 PolarHBondContact O-N 2.97Å; D142-D144 PolarHBondContact OD1-N 2.81Å; D144-D147 PolarHBondContact O-N 3.11Å; D144-R148 WeakPolarHBondContact O-CG 3.32Å; D144-R148 PolarHBondContact O-N 3.37Å |
| 145 | E | 88.8 | Confident | 87.1 | Confident | 99 Ų | 99 | 95.8 Ų | 95.8 | 46% | 0.463 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.9 | -48.4 | -178.1 | -175.4 | 166.6 | -145.1 | 0 | 0 | 111.8 | D142 D147 R148 D149 | D142-E145 HydrophobicContact CB-CB 4.06Å; D142-E145 PolarHBondContact O-N 2.92Å; E145-D147 VanDerWaalsContact C-N 3.27Å; E145-D147 PolarHBondContact O-N 3.18Å; E145-R148 PolarHBondContact O-N 3.23Å; E145-R148 VanDerWaalsContact O-N 3.16Å; E145-D149 PolarHBondContact O-N 2.87Å |
| 146 | D | 89.4 | Confident | 87.1 | Confident | 115 Ų | 115 | 99.5 Ų | 99.5 | 62% | 0.615 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -58.7 | -39.3 | 177.3 | -75.3 | -20.8 | 0 | 0 | 0 | 112 | D149 Q150 | D146-D149 PolarHBondContact O-N 3.38Å; D146-Q150 VanDerWaalsContact O-CB 3.28Å; D146-Q150 WeakPolarHBondContact O-CB 3.15Å; D146-Q150 PolarHBondContact O-N 3.31Å |
| 147 | D | 91.5 | Very high | 87 | Confident | 115 Ų | 115 | 98 Ų | 98 | 62% | 0.615 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -69.4 | -38.7 | 179.1 | -84 | -19.9 | 0 | 0 | 0 | 111.6 | D144 E145 A151 | D144-D147 PolarHBondContact O-N 3.11Å; E145-D147 VanDerWaalsContact C-N 3.27Å; E145-D147 PolarHBondContact O-N 3.18Å; D147-A151 WeakPolarHBondContact O-CB 3.35Å; D147-A151 PolarHBondContact O-N 2.94Å |
| 148 | R | 91.4 | Very high | 86.9 | Confident | 143 Ų | 143 | 97.1 Ų | 97.1 | 54% | 0.54 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 174.1 | -72 | -170.6 | -68.1 | 131.1 | -6 | 111.1 | D142 D144 E145 A151 W152 | D142-R148 IonicContact OD2-CZ 3.11Å; D142-R148 IonicContact OD2-NE 2.82Å; D142-R148 IonicContact OD2-NH2 3.97Å; D142-R148 PolarHBondContact OD2-NH2 3.25Å; D144-R148 WeakPolarHBondContact O-CG 3.32Å; D144-R148 PolarHBondContact O-N 3.37Å; E145-R148 PolarHBondContact O-N 3.23Å; E145-R148 VanDerWaalsContact O-N 3.16Å; R148-A151 PolarHBondContact O-N 3.34Å; R148-W152 PolarHBondContact O-N 3.16Å |
| 149 | D | 90.3 | Very high | 86.4 | Confident | 93 Ų | 93 | 94.8 Ų | 94.8 | 50% | 0.497 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.3 | -43.8 | 179 | -80.5 | -0 | 0 | 0 | 0 | 111.8 | E145 D146 A151 W152 V153 | E145-D149 PolarHBondContact O-N 2.87Å; D146-D149 PolarHBondContact O-N 3.38Å; D149-A151 VanDerWaalsContact C-N 3.32Å; D149-A151 PolarHBondContact O-N 3.23Å; D149-W152 WeakPolarHBondContact O-CB 3.06Å; D149-W152 PolarHBondContact O-N 2.91Å; D149-W152 VanDerWaalsContact O-N 3.13Å; D149-V153 WeakPolarHBondContact O-CG2 3.21Å; D149-V153 PolarHBondContact O-N 3.47Å |
| 150 | Q | 87.8 | Confident | 85.5 | Confident | 85 Ų | 85 | 90.7 Ų | 90.7 | 40% | 0.397 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -59.3 | -43.9 | 174.7 | -176.3 | 59.4 | 63.9 | 0 | 0 | 111.3 | D146 W152 V153 D154 | D146-Q150 VanDerWaalsContact O-CB 3.28Å; D146-Q150 WeakPolarHBondContact O-CB 3.15Å; D146-Q150 PolarHBondContact O-N 3.31Å; Q150-W152 VanDerWaalsContact C-N 3.3Å; Q150-W152 PolarHBondContact O-N 3.06Å; Q150-V153 PolarHBondContact O-N 3.42Å; Q150-D154 PolarHBondContact NE2-OD1 3.24Å; Q150-D154 VanDerWaalsContact NE2-OD1 3.08Å; Q150-D154 WeakPolarHBondContact O-CB 3.45Å; Q150-D154 VanDerWaalsContact O-CG 3.29Å; Q150-D154 PolarHBondContact O-N 3.48Å |
| 151 | A | 89.2 | Confident | 84.7 | Confident | 59 Ų | 59 | 86 Ų | 86 | 49% | 0.488 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.7 | -37 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D147 R148 D149 D154 A155 | D147-A151 WeakPolarHBondContact O-CB 3.35Å; D147-A151 PolarHBondContact O-N 2.94Å; R148-A151 PolarHBondContact O-N 3.34Å; D149-A151 VanDerWaalsContact C-N 3.32Å; D149-A151 PolarHBondContact O-N 3.23Å; A151-D154 PolarHBondContact O-N 3.13Å; A151-A155 WeakPolarHBondContact O-CB 3.29Å; A151-A155 PolarHBondContact O-N 2.95Å |
| 152 | W | 87.8 | Confident | 83.5 | Confident | 166 Ų | 166 | 85 Ų | 85 | 63% | 0.629 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -66.1 | -45.4 | 175.7 | -179.3 | 93.8 | 0 | 0 | 0 | 112.3 | R148 D149 Q150 D154 A155 R156 | R148-W152 PolarHBondContact O-N 3.16Å; D149-W152 WeakPolarHBondContact O-CB 3.06Å; D149-W152 PolarHBondContact O-N 2.91Å; D149-W152 VanDerWaalsContact O-N 3.13Å; Q150-W152 VanDerWaalsContact C-N 3.3Å; Q150-W152 PolarHBondContact O-N 3.06Å; W152-D154 VanDerWaalsContact C-N 3.33Å; W152-D154 PolarHBondContact O-N 2.93Å; W152-A155 WeakPolarHBondContact O-CB 3.39Å; W152-A155 PolarHBondContact O-N 3.15Å; W152-R156 PolarHBondContact O-N 3.16Å |
| 153 | V | 86.4 | Confident | 81.9 | Confident | 42 Ų | 42 | 90.6 Ų | 90.6 | 26% | 0.255 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 175.6 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | D149 Q150 A155 R156 R157 L196 | D149-V153 WeakPolarHBondContact O-CG2 3.21Å; D149-V153 PolarHBondContact O-N 3.47Å; Q150-V153 PolarHBondContact O-N 3.42Å; V153-A155 PolarHBondContact O-N 3.31Å; V153-R156 WeakPolarHBondContact O-CB 3.31Å; V153-R156 PolarHBondContact O-N 2.78Å; V153-R157 WeakPolarHBondContact O-CG 3.41Å; V153-R157 PolarHBondContact O-N 2.81Å; V153-L196 HydrophobicContact CG1-CD1 4.48Å |
| 154 | D | 84.8 | Confident | 80.2 | Confident | 38 Ų | 38 | 93 Ų | 93 | 20% | 0.203 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -63.1 | -41.8 | 177 | -74 | -13.1 | 0 | 0 | 0 | 111.8 | Q150 A151 W152 R156 R157 Y158 L178 | Q150-D154 PolarHBondContact NE2-OD1 3.24Å; Q150-D154 VanDerWaalsContact NE2-OD1 3.08Å; Q150-D154 WeakPolarHBondContact O-CB 3.45Å; Q150-D154 VanDerWaalsContact O-CG 3.29Å; Q150-D154 PolarHBondContact O-N 3.48Å; A151-D154 PolarHBondContact O-N 3.13Å; W152-D154 VanDerWaalsContact C-N 3.33Å; W152-D154 PolarHBondContact O-N 2.93Å; D154-R156 VanDerWaalsContact C-N 3.3Å; D154-R156 PolarHBondContact O-N 3.4Å; D154-R157 PolarHBondContact O-N 3.48Å; D154-R157 IonicContact OD1-CZ 3Å; D154-R157 IonicContact OD1-NE 3.13Å; D154-R157 PolarHBondContact OD1-NE 3.28Å; D154-R157 IonicContact OD1-NH2 3.97Å; D154-R157 PolarHBondContact OD1-NH2 3.18Å; D154-Y158 VanDerWaalsContact O-CB 3.26Å; D154-Y158 WeakPolarHBondContact O-CB 3.34Å; D154-Y158 PolarHBondContact O-N 3.02Å; D154-L178 HydrophobicContact CB-CD1 4.16Å; D154-L178 VanDerWaalsContact O-CD1 3.28Å; D154-L178 WeakPolarHBondContact O-CD1 3.28Å |
| 155 | A | 85.1 | Confident | 78.3 | Confident | 47 Ų | 47 | 91 Ų | 91 | 39% | 0.388 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.9 | -39.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A151 W152 V153 Y158 N159 | A151-A155 WeakPolarHBondContact O-CB 3.29Å; A151-A155 PolarHBondContact O-N 2.95Å; W152-A155 WeakPolarHBondContact O-CB 3.39Å; W152-A155 PolarHBondContact O-N 3.15Å; V153-A155 PolarHBondContact O-N 3.31Å; A155-Y158 PolarHBondContact O-N 3.34Å; A155-N159 WeakPolarHBondContact O-CB 3.3Å; A155-N159 VanDerWaalsContact O-CG 3.25Å; A155-N159 PolarHBondContact O-N 2.99Å; A155-N159 PolarHBondContact O-ND2 3.4Å |
| 156 | R | 83.7 | Confident | 76.4 | Confident | 139 Ų | 139 | 93.5 Ų | 93.5 | 53% | 0.525 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.8 | -46.1 | 176.1 | -165.7 | 72.1 | 175.7 | -168.3 | -0.8 | 111.6 | W152 V153 D154 N159 G160 L196 | W152-R156 PolarHBondContact O-N 3.16Å; V153-R156 WeakPolarHBondContact O-CB 3.31Å; V153-R156 PolarHBondContact O-N 2.78Å; D154-R156 VanDerWaalsContact C-N 3.3Å; D154-R156 PolarHBondContact O-N 3.4Å; R156-N159 PolarHBondContact O-N 3.46Å; R156-G160 PolarHBondContact O-N 2.98Å; R156-L196 HydrophobicContact CG-CD1 4.26Å |
| 157 | R | 83.9 | Confident | 74.6 | Confident | 40 Ų | 40 | 92.6 Ų | 92.6 | 15% | 0.151 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -62.9 | -40.7 | 175.3 | -71.2 | -167.6 | -74.8 | -168.6 | -3.7 | 111.9 | V153 D154 R161 L178 S181 L196 D197 | V153-R157 WeakPolarHBondContact O-CG 3.41Å; V153-R157 PolarHBondContact O-N 2.81Å; D154-R157 PolarHBondContact O-N 3.48Å; D154-R157 IonicContact OD1-CZ 3Å; D154-R157 IonicContact OD1-NE 3.13Å; D154-R157 PolarHBondContact OD1-NE 3.28Å; D154-R157 IonicContact OD1-NH2 3.97Å; D154-R157 PolarHBondContact OD1-NH2 3.18Å; R157-R161 PolarHBondContact O-N 2.9Å; R157-L178 HydrophobicContact CB-CD1 3.61Å; R157-S181 PolarHBondContact NH1-OG 2.82Å; R157-L196 HydrophobicContact CG-CB 4.19Å; R157-D197 HydrophobicContact CG-CB 4.41Å |
| 158 | Y | 76.8 | Confident | 72.6 | Confident | 122 Ų | 122 | 91.4 Ų | 91.4 | 48% | 0.478 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.6 | -40.5 | 179.2 | -172.1 | -119.4 | 0 | 0 | 0 | 112.8 | D154 A155 G160 R161 K162 L178 | D154-Y158 VanDerWaalsContact O-CB 3.26Å; D154-Y158 WeakPolarHBondContact O-CB 3.34Å; D154-Y158 PolarHBondContact O-N 3.02Å; A155-Y158 PolarHBondContact O-N 3.34Å; Y158-G160 VanDerWaalsContact C-N 3.33Å; Y158-G160 PolarHBondContact O-N 2.83Å; Y158-R161 PolarHBondContact O-N 3.23Å; Y158-R161 VanDerWaalsContact O-N 3.16Å; Y158-K162 HydrophobicContact CD1-CD 4.41Å; Y158-K162 HydrophobicContact CD1-CG 4.49Å; Y158-K162 HydrophobicContact CE1-CD 4.23Å; Y158-K162 HydrophobicContact CE1-CG 4.28Å; Y158-K162 PolarHBondContact O-N 2.76Å; Y158-K162 VanDerWaalsContact O-N 3.08Å; Y158-L178 HydrophobicContact CD2-CD2 4Å |
| 159 | N | 73.8 | Confident | 70.6 | Confident | 81 Ų | 81 | 96.7 Ų | 96.7 | 43% | 0.433 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66 | -33.8 | 179.4 | -75.7 | -18.6 | 0 | 0 | 0 | 112.8 | A155 R156 K162 | A155-N159 WeakPolarHBondContact O-CB 3.3Å; A155-N159 VanDerWaalsContact O-CG 3.25Å; A155-N159 PolarHBondContact O-N 2.99Å; A155-N159 PolarHBondContact O-ND2 3.4Å; R156-N159 PolarHBondContact O-N 3.46Å; N159-K162 PolarHBondContact O-N 3.08Å; N159-K162 PolarHBondContact OD1-NZ 3.24Å |
| 160 | G | 66.8 | Low | 68.5 | Low | 18 Ų | 18 | 97.1 Ų | 97.1 | 19% | 0.186 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -56.8 | -50.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | R156 Y158 K162 H163 F212 | R156-G160 PolarHBondContact O-N 2.98Å; Y158-G160 VanDerWaalsContact C-N 3.33Å; Y158-G160 PolarHBondContact O-N 2.83Å; G160-K162 VanDerWaalsContact C-N 3.33Å; G160-K162 PolarHBondContact O-N 3.5Å; G160-H163 PolarHBondContact O-N 3.25Å; G160-F212 VanDerWaalsContact C-CZ 3.44Å; G160-F212 WeakPolarHBondContact O-CE1 3.39Å; G160-F212 WeakPolarHBondContact O-CE2 3.28Å; G160-F212 WeakPolarHBondContact O-CZ 3.41Å |
| 161 | R | 68.9 | Low | 66.6 | Low | 66 Ų | 66 | 102.4 Ų | 102.4 | 25% | 0.249 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -68.1 | -22.9 | -177.2 | -66.3 | 177.5 | 176.9 | -127.8 | 6.4 | 115.1 | R157 Y158 H163 Q164 S165 D197 F212 | R157-R161 PolarHBondContact O-N 2.9Å; Y158-R161 PolarHBondContact O-N 3.23Å; Y158-R161 VanDerWaalsContact O-N 3.16Å; R161-H163 PolarHBondContact O-N 2.92Å; R161-Q164 PolarHBondContact O-N 3.5Å; R161-S165 PolarHBondContact O-OG 2.91Å; R161-D197 IonicContact CZ-OD2 3.86Å; R161-D197 IonicContact NE-OD2 2.79Å; R161-D197 PolarHBondContact NE-OD2 3.46Å; R161-D197 VanDerWaalsContact NH2-CG 3.29Å; R161-D197 IonicContact NH2-OD1 3.88Å; R161-D197 PolarHBondContact NH2-OD1 3.42Å; R161-D197 VanDerWaalsContact NH2-OD1 3.11Å; R161-D197 IonicContact NH2-OD2 3.77Å; R161-D197 PolarHBondContact NH2-OD2 3.47Å; R161-F212 HydrophobicContact CB-CE2 4.34Å; R161-F212 HydrophobicContact CG-CD2 4.33Å; R161-F212 HydrophobicContact CG-CE2 3.87Å |
| 162 | K | 61.9 | Low | 64.5 | Low | 104 Ų | 104 | 105 Ų | 105 | 45% | 0.452 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.4 | -28.6 | 177.3 | -85.2 | -179.4 | 179.3 | 153.6 | 0 | 113.6 | Y158 N159 G160 Q164 S165 | Y158-K162 HydrophobicContact CD1-CD 4.41Å; Y158-K162 HydrophobicContact CD1-CG 4.49Å; Y158-K162 HydrophobicContact CE1-CD 4.23Å; Y158-K162 HydrophobicContact CE1-CG 4.28Å; Y158-K162 PolarHBondContact O-N 2.76Å; Y158-K162 VanDerWaalsContact O-N 3.08Å; N159-K162 PolarHBondContact O-N 3.08Å; N159-K162 PolarHBondContact OD1-NZ 3.24Å; G160-K162 VanDerWaalsContact C-N 3.33Å; G160-K162 PolarHBondContact O-N 3.5Å; K162-Q164 PolarHBondContact O-N 3.27Å; K162-S165 PolarHBondContact O-N 2.92Å |
| 163 | H | 53.6 | Low | 62.4 | Low | 174 Ų | 174 | 100 Ų | 100 | 81% | 0.806 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -13 | 179 | -85.2 | -75.5 | 0 | 0 | 0 | 113.8 | G160 R161 | G160-H163 PolarHBondContact O-N 3.25Å; R161-H163 PolarHBondContact O-N 2.92Å |
| 164 | Q | 52.9 | Low | 60.4 | Low | 110 Ų | 110 | 106 Ų | 106 | 51% | 0.514 | 58% | 0.575 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -105.2 | -11.1 | 176.8 | -72.2 | 179.4 | 7.5 | 0 | 0 | 114.4 | R161 K162 M211 F212 | R161-Q164 PolarHBondContact O-N 3.5Å; K162-Q164 PolarHBondContact O-N 3.27Å; Q164-M211 PolarHBondContact OE1-SD 3.18Å; Q164-F212 HydrophobicContact CG-CZ 3.98Å |
| 165 | S | 48.7 | Very low | 58.6 | Low | 56 Ų | 56 | 112.4 Ų | 112.4 | 39% | 0.392 | 61% | 0.609 | S | S | . | * | trans | -128.8 | 84.1 | -170.3 | 60.2 | 0 | 0 | 0 | 0 | 114.5 | R161 K162 A167 | R161-S165 PolarHBondContact O-OG 2.91Å; K162-S165 PolarHBondContact O-N 2.92Å; S165-A167 VanDerWaalsContact C-N 3.27Å | ||
| 166 | T | 50.4 | Low | 56.7 | Low | 151 Ų | 151 | 117.8 Ų | 117.8 | 93% | 0.926 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -83.4 | -2.6 | 154.5 | 52.7 | 0 | 0 | 0 | 0 | 112.5 | ||
| 167 | A | 50.2 | Low | 55.2 | Low | 95 Ų | 95 | 121 Ų | 121 | 79% | 0.785 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -105.7 | -6.8 | -167 | 0 | 0 | 0 | 0 | 0 | 116.7 | S165 | S165-A167 VanDerWaalsContact C-N 3.27Š|
| 168 | S | 50.3 | Low | 54 | Low | 91 Ų | 91 | 120.7 Ų | 120.7 | 64% | 0.636 | 64% | 0.639 | S | S | * | * | trans | -135.4 | 63.5 | -173.3 | 31.6 | 0 | 0 | 0 | 0 | 111.8 | S170 | S168-S170 VanDerWaalsContact C-N 3.35Š| ||
| 169 | R | 49.7 | Very low | 53.5 | Low | 254 Ų | 254 | 118.3 Ų | 118.3 | 96% | 0.958 | 64% | 0.639 | S | S | * | * | trans | -95 | 24.5 | -179.5 | -141.1 | 176.2 | 179.4 | -179.3 | -0.7 | 113.6 | ||||
| 170 | S | 46.9 | Very low | 53.5 | Low | 102 Ų | 102 | 119.6 Ų | 119.6 | 71% | 0.713 | 65% | 0.654 | S | S | * | * | trans | -125.1 | 75.4 | -175.3 | 61.6 | 0 | 0 | 0 | 0 | 111.5 | S168 | S168-S170 VanDerWaalsContact C-N 3.35Š| ||
| 171 | Q | 47.8 | Very low | 54.2 | Low | 195 Ų | 195 | 119.5 Ų | 119.5 | 91% | 0.911 | 65% | 0.65 | S | S | * | * | trans | 178.2 | 68 | 148.5 | -99.6 | 174.1 | 10.5 | 0 | 0 | 109.4 | G173 | Q171-G173 PolarHBondContact O-N 3Š| ||
| 172 | A | 43.3 | Very low | 55.1 | Low | 113 Ų | 113 | 119.8 Ų | 119.8 | 93% | 0.934 | 66% | 0.657 | S | S | * | * | trans | -82.5 | 100.6 | 162.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 173 | G | 44.3 | Very low | 56.5 | Low | 63 Ų | 63 | 114.9 Ų | 114.9 | 65% | 0.649 | 64% | 0.636 | S | S | * | * | trans | 170.8 | 4.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | Q171 | Q171-G173 PolarHBondContact O-N 3Š| ||
| 174 | Q | 44.4 | Very low | 58.3 | Low | 167 Ų | 167 | 108.6 Ų | 108.6 | 78% | 0.78 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -132.1 | 138.2 | 171.5 | -65.1 | -63.2 | -21.2 | 0 | 0 | 108.1 | H176 | Q174-H176 PolarHBondContact O-N 3.26Š|
| 175 | N | 46.3 | Very low | 60.3 | Low | 173 Ų | 173 | 103.4 Ų | 103.4 | 93% | 0.925 | 59% | 0.585 | S | S | * | * | trans | -62.8 | 62.8 | 168.4 | -75 | -21.6 | 0 | 0 | 0 | 109.7 | R177 | N175-R177 PolarHBondContact O-N 3.5Š| ||
| 176 | H | 45.2 | Very low | 62.5 | Low | 159 Ų | 159 | 101.9 Ų | 101.9 | 74% | 0.736 | 57% | 0.573 | S | S | * | * | trans | -82.2 | 93.8 | -177.4 | -149 | -58.5 | 0 | 0 | 0 | 106.1 | Q174 L178 | Q174-H176 PolarHBondContact O-N 3.26Å; H176-L178 PolarHBondContact O-N 3.38Å | ||
| 177 | R | 53 | Low | 64.7 | Low | 206 Ų | 206 | 94.7 Ų | 94.7 | 78% | 0.777 | 53% | 0.529 | S | S | * | . | trans | -41.7 | 131.2 | 159.3 | -70.3 | -172.2 | 176.8 | -142.6 | -3.1 | 106.9 | N175 | N175-R177 PolarHBondContact O-N 3.5Š| ||
| 178 | L | 57.9 | Low | 66.8 | Low | 34 Ų | 34 | 92 Ų | 92 | 18% | 0.178 | 50% | 0.504 | C | S | . | . | P | Polyproline II helix | trans | -53.1 | 150.1 | 176.3 | -67.4 | 168.6 | 0 | 0 | 0 | 108.7 | D154 R157 Y158 H176 S180 | D154-L178 HydrophobicContact CB-CD1 4.16Å; D154-L178 VanDerWaalsContact O-CD1 3.28Å; D154-L178 WeakPolarHBondContact O-CD1 3.28Å; R157-L178 HydrophobicContact CB-CD1 3.61Å; Y158-L178 HydrophobicContact CD2-CD2 4Å; H176-L178 PolarHBondContact O-N 3.38Å; L178-S180 PolarHBondContact O-N 3.05Å |
| 179 | P | 68.1 | Low | 68.9 | Low | 72 Ų | 72 | 90.9 Ų | 90.9 | 47% | 0.468 | 50% | 0.5 | S | S | . | . | P | Polyproline II helix | trans | -46.3 | 133.2 | 174.4 | -27.4 | 35.1 | 0 | 0 | 0 | 110.3 | S181 | P179-S181 PolarHBondContact O-N 2.95Å; P179-S181 VanDerWaalsContact O-N 3.15Å |
| 180 | S | 72.1 | Confident | 71 | Confident | 109 Ų | 109 | 81.1 Ų | 81.1 | 76% | 0.762 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 119.8 | -178.2 | 53.3 | 0 | 0 | 0 | 0 | 109.6 | L178 | L178-S180 PolarHBondContact O-N 3.05Š|
| 181 | S | 82.9 | Confident | 73.3 | Confident | 15 Ų | 15 | 81.9 Ų | 81.9 | 11% | 0.105 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -69 | 139.4 | 167 | 50.6 | 0 | 0 | 0 | 0 | 109.3 | R157 P179 L196 | R157-S181 PolarHBondContact NH1-OG 2.82Å; P179-S181 PolarHBondContact O-N 2.95Å; P179-S181 VanDerWaalsContact O-N 3.15Å; S181-L196 WeakPolarHBondContact CB-O 3.28Å; S181-L196 PolarHBondContact OG-O 3.26Å |
| 182 | D | 87 | Confident | 75.6 | Confident | 72 Ų | 72 | 74.2 Ų | 74.2 | 39% | 0.385 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -72.8 | -32 | -176.3 | -75.4 | -34.8 | 0 | 0 | 0 | 113 | C198 Q199 R200 H289 | D182-C198 PolarHBondContact N-O 2.95Å; D182-Q199 WeakPolarHBondContact OD2-CA 3.37Å; D182-R200 HydrophobicContact CB-CB 4.3Å; D182-R200 WeakPolarHBondContact OD2-CB 3.43Å; D182-R200 PolarHBondContact OD2-N 3.14Å; D182-H289 PolarHBondContact O-ND1 3.15Å |
| 183 | A | 91.3 | Very high | 77.9 | Confident | 1 Ų | 1 | 71.2 Ų | 71.2 | 1% | 0.008 | 40% | 0.4 | C | S | . | . | trans | -158.6 | 163.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L185 C198 Y208 A287 S288 | A183-L185 HydrophobicContact CB-CD2 4.26Å; A183-C198 PolarHBondContact O-SG 2.96Å; A183-Y208 HydrophobicContact CB-CD1 4.49Å; A183-Y208 HydrophobicContact CB-CE1 3.84Å; A183-A287 HydrophobicContact CB-CB 4.06Å; A183-S288 WeakPolarHBondContact CA-O 3.18Å | ||
| 184 | V | 92.3 | Very high | 80.3 | Confident | 43 Ų | 43 | 68.2 Ų | 68.2 | 26% | 0.261 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 129.4 | 161.2 | 177.3 | 0 | 0 | 0 | 0 | 108.2 | T193 L196 A287 S288 | V184-T193 HydrophobicContact CG1-CG2 3.85Å; V184-L196 HydrophobicContact CG1-CD2 4.07Å; V184-L196 HydrophobicContact CG2-CD2 4.33Å; V184-A287 WeakPolarHBondContact O-CA 3.46Å; V184-S288 PolarHBondContact N-O 3Å; V184-S288 PolarHBondContact O-N 3.2Å |
| 185 | L | 94.2 | Very high | 82.6 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 126.3 | -177.6 | -51.6 | -175.3 | 0 | 0 | 0 | 110.7 | A183 L194 C195 C198 Y208 F282 I285 A287 | A183-L185 HydrophobicContact CB-CD2 4.26Å; L185-L194 PolarHBondContact O-N 3.1Å; L185-C195 HydrophobicContact CB-CB 4.02Å; L185-C195 HydrophobicContact CD1-CB 3.96Å; L185-C195 HydrophobicContact CG-CB 4.09Å; L185-C195 PolarHBondContact N-O 3Å; L185-C195 PolarHBondContact O-N 3.34Å; L185-C198 HydrophobicContact CD1-CB 3.83Å; L185-C198 HydrophobicContact CG-CB 4.15Å; L185-Y208 HydrophobicContact CD1-CG 4.33Å; L185-Y208 HydrophobicContact CD2-CD1 4.08Å; L185-Y208 HydrophobicContact CD2-CD2 3.86Å; L185-Y208 HydrophobicContact CD2-CE1 4.46Å; L185-Y208 HydrophobicContact CD2-CE2 4.26Å; L185-Y208 HydrophobicContact CD2-CG 3.75Å; L185-F282 HydrophobicContact CD1-CB 4.23Å; L185-F282 HydrophobicContact CD1-CD1 4.43Å; L185-F282 HydrophobicContact CD1-CD2 3.61Å; L185-F282 HydrophobicContact CD1-CE2 4.01Å; L185-F282 HydrophobicContact CD1-CG 3.84Å; L185-I285 HydrophobicContact CD2-CD1 3.78Å; L185-I285 HydrophobicContact CD2-CG1 4.21Å; L185-A287 HydrophobicContact CD2-CB 4.14Å |
| 186 | N | 95.2 | Very high | 84.6 | Confident | 24 Ų | 24 | 53.5 Ų | 53.5 | 13% | 0.128 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 149.7 | 178.4 | -62.6 | -41.7 | 0 | 0 | 0 | 111.3 | T192 T193 L286 | N186-T192 CarbonylContact C-O 3.54Å; N186-T192 WeakPolarHBondContact CA-O 3.39Å; N186-T193 VanDerWaalsContact OD1-CA 3.3Å; N186-T193 WeakPolarHBondContact OD1-CA 3.25Å; N186-T193 PolarHBondContact OD1-OG1 3.35Å; N186-T193 VanDerWaalsContact OD1-OG1 3.12Å; N186-L286 HydrophobicContact CB-CB 4.34Å; N186-L286 PolarHBondContact N-O 3.46Å; N186-L286 PolarHBondContact O-N 3.38Å |
| 187 | C | 95.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | -66.6 | 134.1 | 175.5 | -174.9 | 0 | 0 | 0 | 0 | 110.7 | A189 C190 M191 T192 L194 C267 | C187-A189 VanDerWaalsContact C-N 3.27Å; C187-A189 PolarHBondContact O-N 2.85Å; C187-C190 VanDerWaalsContact SG-SG 3.63Å; C187-M191 WeakPolarHBondContact O-CA 3.42Å; C187-M191 PolarHBondContact O-N 3.43Å; C187-T192 PolarHBondContact N-O 2.91Å; C187-L194 HydrophobicContact CB-CD1 3.97Å; C187-L194 HydrophobicContact CB-CD2 4.18Å; C187-L194 HydrophobicContact CB-CG 4.15Å; C187-C267 PolarHBondContact SG-SG 3.21Å | ||
| 188 | P | 94.7 | Very high | 88.5 | Confident | 40 Ų | 40 | 37.6 Ų | 37.6 | 26% | 0.26 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -22.5 | -179.7 | 27.6 | -36.1 | 0 | 0 | 0 | 114.3 | T269 N284 L286 | P188-T269 HydrophobicContact CG-CG2 4.34Å; P188-N284 WeakPolarHBondContact CD-O 3.33Å; P188-N284 WeakPolarHBondContact CG-O 3.43Å; P188-L286 HydrophobicContact CB-CG 4.31Å |
| 189 | A | 94.3 | Very high | 90.1 | Very high | 67 Ų | 67 | 41.4 Ų | 41.4 | 55% | 0.554 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94 | -48.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | C187 C267 T269 | C187-A189 VanDerWaalsContact C-N 3.27Å; C187-A189 PolarHBondContact O-N 2.85Å; A189-C267 HydrophobicContact CB-CB 4.4Å; A189-T269 WeakPolarHBondContact CB-OG1 3.41Å |
| 190 | C | 94.9 | Very high | 91.2 | Very high | 48 Ų | 48 | 42.2 Ų | 42.2 | 32% | 0.324 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | 3 | -176.5 | 60.8 | 0 | 0 | 0 | 0 | 114.4 | C187 T192 C267 | C187-C190 VanDerWaalsContact SG-SG 3.63Å; C190-T192 PolarHBondContact O-N 2.77Å; C190-T192 PolarHBondContact SG-OG1 2.85Å; C190-C267 HydrophobicContact CB-CB 3.97Å; C190-C267 PolarHBondContact SG-SG 3.01Å |
| 191 | M | 94.9 | Very high | 92 | Very high | 118 Ų | 118 | 39.5 Ų | 39.5 | 58% | 0.581 | 22% | 0.218 | S | C | * | . | trans | 58.1 | 7.6 | -178 | -60.1 | -69.3 | 173.3 | 0 | 0 | 115.2 | C187 T193 L286 | C187-M191 WeakPolarHBondContact O-CA 3.42Å; C187-M191 PolarHBondContact O-N 3.43Å; M191-T193 PolarHBondContact O-N 2.84Å; M191-L286 HydrophobicContact CE-CD1 3.34Å; M191-L286 HydrophobicContact SD-CD1 3.31Å; M191-L286 WeakPolarHBondContact SD-CD1 3.26Å | ||
| 192 | T | 95.3 | Very high | 92.2 | Very high | 35 Ų | 35 | 47.9 Ų | 47.9 | 22% | 0.215 | 26% | 0.255 | C | S | . | . | trans | -62 | 135.5 | 177.8 | -55.7 | 0 | 0 | 0 | 0 | 110.4 | N186 C187 C190 L194 N215 E266 | N186-T192 CarbonylContact C-O 3.54Å; N186-T192 WeakPolarHBondContact CA-O 3.39Å; C187-T192 PolarHBondContact N-O 2.91Å; C190-T192 PolarHBondContact O-N 2.77Å; C190-T192 PolarHBondContact SG-OG1 2.85Å; T192-L194 PolarHBondContact O-N 3.01Å; T192-N215 HydrophobicContact CG2-CB 3.86Å; T192-E266 HydrophobicContact CG2-CG 3.93Å | ||
| 193 | T | 93.4 | Very high | 92.2 | Very high | 49 Ų | 49 | 51.6 Ų | 51.6 | 30% | 0.301 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 122.8 | 176 | -55 | 0 | 0 | 0 | 0 | 110.6 | V184 N186 M191 L196 M214 | V184-T193 HydrophobicContact CG1-CG2 3.85Å; N186-T193 VanDerWaalsContact OD1-CA 3.3Å; N186-T193 WeakPolarHBondContact OD1-CA 3.25Å; N186-T193 PolarHBondContact OD1-OG1 3.35Å; N186-T193 VanDerWaalsContact OD1-OG1 3.12Å; M191-T193 PolarHBondContact O-N 2.84Å; T193-L196 HydrophobicContact CG2-CD2 3.76Å; T193-L196 HydrophobicContact CG2-CG 4.37Å; T193-M214 HydrophobicContact CG2-SD 4.4Å; T193-M214 WeakPolarHBondContact O-CG 3.33Å |
| 194 | L | 93.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | -30.5 | -178.1 | -57.9 | 178.9 | 0 | 0 | 0 | 111.9 | L185 C187 T192 V213 M214 N215 C264 V271 F282 I285 | L185-L194 PolarHBondContact O-N 3.1Å; C187-L194 HydrophobicContact CB-CD1 3.97Å; C187-L194 HydrophobicContact CB-CD2 4.18Å; C187-L194 HydrophobicContact CB-CG 4.15Å; T192-L194 PolarHBondContact O-N 3.01Å; L194-V213 WeakPolarHBondContact O-CA 3.48Å; L194-M214 WeakPolarHBondContact CA-O 3.31Å; L194-M214 PolarHBondContact O-N 3.1Å; L194-N215 HydrophobicContact CD2-CB 4.43Å; L194-C264 HydrophobicContact CD2-CB 4.35Å; L194-V271 HydrophobicContact CD1-CB 3.99Å; L194-V271 HydrophobicContact CD1-CG1 3.93Å; L194-V271 HydrophobicContact CD1-CG2 3.95Å; L194-F282 HydrophobicContact CB-CE1 4.32Å; L194-F282 HydrophobicContact CD1-CE1 4.23Å; L194-I285 HydrophobicContact CD1-CG2 4.24Å |
| 195 | C | 91.9 | Very high | 91.8 | Very high | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.007 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 135.6 | -179.3 | -172.2 | 0 | 0 | 0 | 0 | 112.4 | L185 D197 A210 F212 | L185-C195 HydrophobicContact CB-CB 4.02Å; L185-C195 HydrophobicContact CD1-CB 3.96Å; L185-C195 HydrophobicContact CG-CB 4.09Å; L185-C195 PolarHBondContact N-O 3Å; L185-C195 PolarHBondContact O-N 3.34Å; C195-D197 PolarHBondContact SG-N 2.99Å; C195-D197 VanDerWaalsContact SG-N 3.35Å; C195-D197 PolarHBondContact SG-O 3.12Å; C195-A210 VanDerWaalsContact SG-CB 3.6Å; C195-F212 PolarHBondContact SG-O 2.98Å |
| 196 | L | 90.1 | Very high | 91.6 | Very high | 31 Ų | 31 | 67.5 Ų | 67.5 | 16% | 0.162 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -100.8 | -14.5 | 174.6 | -63 | 176.8 | 0 | 0 | 0 | 113 | V153 R156 R157 S181 V184 T193 M214 | V153-L196 HydrophobicContact CG1-CD1 4.48Å; R156-L196 HydrophobicContact CG-CD1 4.26Å; R157-L196 HydrophobicContact CG-CB 4.19Å; S181-L196 WeakPolarHBondContact CB-O 3.28Å; S181-L196 PolarHBondContact OG-O 3.26Å; V184-L196 HydrophobicContact CG1-CD2 4.07Å; V184-L196 HydrophobicContact CG2-CD2 4.33Å; T193-L196 HydrophobicContact CG2-CD2 3.76Å; T193-L196 HydrophobicContact CG2-CG 4.37Å; L196-M214 HydrophobicContact CB-CE 4.31Å; L196-M214 HydrophobicContact CD1-CE 3.68Å; L196-M214 HydrophobicContact CD1-SD 4.42Å; L196-M214 HydrophobicContact CG-CE 3.65Å; L196-M214 HydrophobicContact CG-SD 4.33Å |
| 197 | D | 89 | Confident | 91.4 | Very high | 26 Ų | 26 | 69 Ų | 69 | 14% | 0.139 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -135.9 | 92.8 | -173.8 | -172 | 9.1 | 0 | 0 | 0 | 110 | R157 R161 C195 | R157-D197 HydrophobicContact CG-CB 4.41Å; R161-D197 IonicContact CZ-OD2 3.86Å; R161-D197 IonicContact NE-OD2 2.79Å; R161-D197 PolarHBondContact NE-OD2 3.46Å; R161-D197 VanDerWaalsContact NH2-CG 3.29Å; R161-D197 IonicContact NH2-OD1 3.88Å; R161-D197 PolarHBondContact NH2-OD1 3.42Å; R161-D197 VanDerWaalsContact NH2-OD1 3.11Å; R161-D197 IonicContact NH2-OD2 3.77Å; R161-D197 PolarHBondContact NH2-OD2 3.47Å; C195-D197 PolarHBondContact SG-N 2.99Å; C195-D197 VanDerWaalsContact SG-N 3.35Å; C195-D197 PolarHBondContact SG-O 3.12Å |
| 198 | C | 90.4 | Very high | 91.4 | Very high | 5 Ų | 5 | 69.2 Ų | 69.2 | 3% | 0.034 | 34% | 0.342 | C | S | . | . | trans | -130.2 | 153.8 | -179.4 | 71.9 | 0 | 0 | 0 | 0 | 111.6 | D182 A183 L185 R209 A210 | D182-C198 PolarHBondContact N-O 2.95Å; A183-C198 PolarHBondContact O-SG 2.96Å; L185-C198 HydrophobicContact CD1-CB 3.83Å; L185-C198 HydrophobicContact CG-CB 4.15Å; C198-R209 WeakPolarHBondContact CA-O 3.5Å; C198-A210 HydrophobicContact CB-CB 4.28Å | ||
| 199 | Q | 90.8 | Very high | 91.3 | Very high | 114 Ų | 114 | 71.5 Ų | 71.5 | 53% | 0.533 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 130.8 | 172.6 | -172.7 | 179.8 | 24.2 | 0 | 0 | 108.9 | D182 Y208 R209 | D182-Q199 WeakPolarHBondContact OD2-CA 3.37Å; Q199-Y208 CarbonylContact O-C 3.58Å; Q199-Y208 WeakPolarHBondContact O-CA 3.32Å; Q199-R209 PolarHBondContact N-O 2.96Å; Q199-R209 PolarHBondContact O-N 3.36Å |
| 200 | R | 91.7 | Very high | 91.2 | Very high | 89 Ų | 89 | 68.4 Ų | 68.4 | 34% | 0.336 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 136.8 | 176.2 | -166.2 | -178.1 | -163.4 | 170.9 | 14.4 | 110.5 | D182 R205 Y208 | D182-R200 HydrophobicContact CB-CB 4.3Å; D182-R200 WeakPolarHBondContact OD2-CB 3.43Å; D182-R200 PolarHBondContact OD2-N 3.14Å; R200-R205 VanDerWaalsContact CZ-O 3.26Å; R200-R205 VanDerWaalsContact NE-CA 3.34Å; R200-R205 PolarHBondContact NE-O 3.42Å; R200-R205 VanDerWaalsContact NH2-CB 3.31Å; R200-R205 PolarHBondContact NH2-O 3.28Å; R200-Y208 HydrophobicContact CB-CD1 4.12Å; R200-Y208 HydrophobicContact CB-CE1 3.96Å; R200-Y208 HydrophobicContact CG-CD1 4.33Å; R200-Y208 HydrophobicContact CG-CE1 3.92Å |
| 201 | H | 89.2 | Confident | 90.9 | Very high | 52 Ų | 52 | 69.8 Ų | 69.8 | 24% | 0.241 | 32% | 0.323 | C | S | . | . | trans | -68.8 | 136.2 | 176.7 | -169.8 | -65.5 | 0 | 0 | 0 | 110.8 | K203 Y204 Q207 | H201-K203 PolarHBondContact ND1-N 3.4Å; H201-Y204 PolarHBondContact ND1-N 3.45Å; H201-Y204 CarbonylContact O-C 3.5Å; H201-Q207 HydrophobicContact CB-CB 3.93Å; H201-Q207 WeakPolarHBondContact CB-O 3.48Å; H201-Q207 PolarHBondContact N-O 2.91Å | ||
| 202 | E | 86.8 | Confident | 90.6 | Very high | 190 Ų | 190 | 66.7 Ų | 66.7 | 89% | 0.888 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -63.3 | -47 | -175.8 | -65.2 | -177.4 | 174.1 | 0 | 0 | 112.7 | ||
| 203 | K | 87.7 | Confident | 90.4 | Very high | 151 Ų | 151 | 66.8 Ų | 66.8 | 66% | 0.657 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -72.2 | -42.4 | 179.4 | -166.9 | 177.3 | -179.3 | -173.7 | 0 | 113.9 | H201 | H201-K203 PolarHBondContact ND1-N 3.4Š|
| 204 | Y | 88.4 | Confident | 90.3 | Very high | 103 Ų | 103 | 66.7 Ų | 66.7 | 40% | 0.404 | 30% | 0.303 | S | S | . | . | trans | -120.6 | 104.9 | -173.2 | -60.5 | -65.8 | 0 | 0 | 0 | 110.3 | H201 T206 Q207 | H201-Y204 PolarHBondContact ND1-N 3.45Å; H201-Y204 CarbonylContact O-C 3.5Å; Y204-T206 PolarHBondContact O-N 2.93Å; Y204-T206 VanDerWaalsContact O-N 3.1Å; Y204-Q207 VanDerWaalsContact CB-CD 3.5Å; Y204-Q207 PolarHBondContact O-N 3.39Å | ||
| 205 | R | 87.1 | Confident | 90.2 | Very high | 173 Ų | 173 | 69.7 Ų | 69.7 | 65% | 0.653 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -16.7 | -178.2 | -83.5 | 155.4 | 99.6 | 87.9 | -8.3 | 114.6 | R200 | R200-R205 VanDerWaalsContact CZ-O 3.26Å; R200-R205 VanDerWaalsContact NE-CA 3.34Å; R200-R205 PolarHBondContact NE-O 3.42Å; R200-R205 VanDerWaalsContact NH2-CB 3.31Å; R200-R205 PolarHBondContact NH2-O 3.28Å |
| 206 | T | 88.5 | Confident | 90.3 | Very high | 101 Ų | 101 | 70.8 Ų | 70.8 | 62% | 0.62 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -5.4 | 176.9 | 52.2 | 0 | 0 | 0 | 0 | 113 | Y204 | Y204-T206 PolarHBondContact O-N 2.93Å; Y204-T206 VanDerWaalsContact O-N 3.1Å |
| 207 | Q | 91.9 | Very high | 90.4 | Very high | 55 Ų | 55 | 72.7 Ų | 72.7 | 26% | 0.257 | 34% | 0.34 | S | S | . | . | trans | -105.7 | 146.7 | -179.8 | -62.9 | 175.9 | 14.3 | 0 | 0 | 110.2 | H201 Y204 F282 F283 | H201-Q207 HydrophobicContact CB-CB 3.93Å; H201-Q207 WeakPolarHBondContact CB-O 3.48Å; H201-Q207 PolarHBondContact N-O 2.91Å; Y204-Q207 VanDerWaalsContact CB-CD 3.5Å; Y204-Q207 PolarHBondContact O-N 3.39Å; Q207-F282 WeakPolarHBondContact CA-O 3.43Å; Q207-F282 WeakPolarHBondContact CB-O 3.34Å; Q207-F283 HydrophobicContact CG-CB 4.14Å | ||
| 208 | Y | 94.4 | Very high | 90.7 | Very high | 6 Ų | 6 | 73.5 Ų | 73.5 | 2% | 0.024 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 144.2 | -176.4 | -64.1 | -95.6 | 0 | 0 | 0 | 109.8 | A183 L185 Q199 R200 F282 I285 A287 H289 | A183-Y208 HydrophobicContact CB-CD1 4.49Å; A183-Y208 HydrophobicContact CB-CE1 3.84Å; L185-Y208 HydrophobicContact CD1-CG 4.33Å; L185-Y208 HydrophobicContact CD2-CD1 4.08Å; L185-Y208 HydrophobicContact CD2-CD2 3.86Å; L185-Y208 HydrophobicContact CD2-CE1 4.46Å; L185-Y208 HydrophobicContact CD2-CE2 4.26Å; L185-Y208 HydrophobicContact CD2-CG 3.75Å; Q199-Y208 CarbonylContact O-C 3.58Å; Q199-Y208 WeakPolarHBondContact O-CA 3.32Å; R200-Y208 HydrophobicContact CB-CD1 4.12Å; R200-Y208 HydrophobicContact CB-CE1 3.96Å; R200-Y208 HydrophobicContact CG-CD1 4.33Å; R200-Y208 HydrophobicContact CG-CE1 3.92Å; Y208-F282 PolarHBondContact N-O 3.4Å; Y208-F282 VanDerWaalsContact N-O 3.1Å; Y208-F282 PolarHBondContact O-N 3.36Å; Y208-I285 HydrophobicContact CD2-CD1 3.63Å; Y208-I285 HydrophobicContact CD2-CG1 4.29Å; Y208-I285 HydrophobicContact CE2-CD1 3.73Å; Y208-A287 HydrophobicContact CE2-CB 3.67Å; Y208-A287 WeakPolarHBondContact OH-CB 3.02Å; Y208-H289 PolarHBondContact OH-CE1 3.05Å; Y208-H289 VanDerWaalsContact OH-CE1 3.3Å; Y208-H289 PolarHBondContact OH-NE2 2.92Å |
| 209 | R | 92.6 | Very high | 90.7 | Very high | 87 Ų | 87 | 76.8 Ų | 76.8 | 33% | 0.328 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 132.4 | 176.2 | -62.6 | 179 | 73.5 | -139.7 | 3.4 | 108.1 | C198 Q199 V279 Y280 H281 | C198-R209 WeakPolarHBondContact CA-O 3.5Å; Q199-R209 PolarHBondContact N-O 2.96Å; Q199-R209 PolarHBondContact O-N 3.36Å; R209-V279 HydrophobicContact CB-CG1 4.1Å; R209-Y280 CarbonylContact C-O 3.57Å; R209-Y280 VanDerWaalsContact CA-O 3.28Å; R209-Y280 WeakPolarHBondContact CA-O 3.21Å; R209-H281 PolarHBondContact NE-NE2 3.36Å; R209-H281 VanDerWaalsContact NE-NE2 3.17Å |
| 210 | A | 92.6 | Very high | 90.5 | Very high | 3 Ų | 3 | 75.9 Ų | 75.9 | 3% | 0.025 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 146.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | C195 C198 V213 Y280 F282 | C195-A210 VanDerWaalsContact SG-CB 3.6Å; C198-A210 HydrophobicContact CB-CB 4.28Å; A210-V213 HydrophobicContact CB-CG1 4.35Å; A210-Y280 PolarHBondContact N-O 3.47Å; A210-Y280 WeakPolarHBondContact O-CB 3.14Å; A210-Y280 PolarHBondContact O-N 2.99Å; A210-F282 HydrophobicContact CB-CD2 4.45Å; A210-F282 HydrophobicContact CB-CE2 3.93Å |
| 211 | M | 89.2 | Confident | 90.1 | Very high | 77 Ų | 77 | 78.8 Ų | 78.8 | 38% | 0.379 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -89.3 | -31.8 | 172.1 | -65.1 | -176.3 | -67.4 | 0 | 0 | 111.5 | Q164 | Q164-M211 PolarHBondContact OE1-SD 3.18Š|
| 212 | F | 88 | Confident | 89.9 | Confident | 53 Ų | 53 | 80.1 Ų | 80.1 | 23% | 0.232 | 39% | 0.39 | C | S | . | . | trans | -125.5 | 134.4 | -176.6 | -55.2 | -70.7 | 0 | 0 | 0 | 109.8 | G160 R161 Q164 C195 | G160-F212 VanDerWaalsContact C-CZ 3.44Å; G160-F212 WeakPolarHBondContact O-CE1 3.39Å; G160-F212 WeakPolarHBondContact O-CE2 3.28Å; G160-F212 WeakPolarHBondContact O-CZ 3.41Å; R161-F212 HydrophobicContact CB-CE2 4.34Å; R161-F212 HydrophobicContact CG-CD2 4.33Å; R161-F212 HydrophobicContact CG-CE2 3.87Å; Q164-F212 HydrophobicContact CG-CZ 3.98Å; C195-F212 PolarHBondContact SG-O 2.98Å | ||
| 213 | V | 91.1 | Very high | 89.7 | Confident | 36 Ų | 36 | 74.6 Ų | 74.6 | 22% | 0.218 | 37% | 0.369 | C | S | . | . | trans | -131.1 | 153.6 | 179.9 | -59.2 | 0 | 0 | 0 | 0 | 109.1 | L194 A210 C216 Y280 F282 | L194-V213 WeakPolarHBondContact O-CA 3.48Å; A210-V213 HydrophobicContact CB-CG1 4.35Å; V213-C216 HydrophobicContact CB-CB 4.18Å; V213-C216 HydrophobicContact CG2-CB 3.72Å; V213-Y280 HydrophobicContact CG1-CD1 3.87Å; V213-Y280 HydrophobicContact CG1-CD2 3.64Å; V213-Y280 HydrophobicContact CG1-CE1 4.32Å; V213-Y280 HydrophobicContact CG1-CE2 4.1Å; V213-Y280 HydrophobicContact CG1-CG 3.52Å; V213-Y280 HydrophobicContact CG2-CD1 4.01Å; V213-Y280 HydrophobicContact CG2-CD2 4.17Å; V213-Y280 HydrophobicContact CG2-CE1 3.6Å; V213-Y280 HydrophobicContact CG2-CE2 3.77Å; V213-Y280 HydrophobicContact CG2-CG 4.28Å; V213-Y280 VanDerWaalsContact CG2-CZ 3.47Å; V213-F282 HydrophobicContact CB-CZ 4.38Å; V213-F282 HydrophobicContact CG1-CE2 3.7Å; V213-F282 HydrophobicContact CG1-CZ 3.49Å; V213-F282 VanDerWaalsContact CG1-CZ 3.49Å | ||
| 214 | M | 91.1 | Very high | 89.4 | Confident | 47 Ų | 47 | 70.9 Ų | 70.9 | 23% | 0.232 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -122.4 | 153.7 | 171.5 | 60.3 | -166.6 | 75 | 0 | 0 | 108.8 | T193 L194 L196 C216 | T193-M214 HydrophobicContact CG2-SD 4.4Å; T193-M214 WeakPolarHBondContact O-CG 3.33Å; L194-M214 WeakPolarHBondContact CA-O 3.31Å; L194-M214 PolarHBondContact O-N 3.1Å; L196-M214 HydrophobicContact CB-CE 4.31Å; L196-M214 HydrophobicContact CD1-CE 3.68Å; L196-M214 HydrophobicContact CD1-SD 4.42Å; L196-M214 HydrophobicContact CG-CE 3.65Å; L196-M214 HydrophobicContact CG-SD 4.33Å; M214-C216 PolarHBondContact O-N 3.05Å |
| 215 | N | 92 | Very high | 89 | Confident | 63 Ų | 63 | 73.5 Ų | 73.5 | 34% | 0.337 | 37% | 0.365 | S | S | . | . | S | Bend | trans | 57.3 | 28.4 | 177 | -54 | 73 | 0 | 0 | 0 | 113.6 | T192 L194 S265 E266 | T192-N215 HydrophobicContact CG2-CB 3.86Å; L194-N215 HydrophobicContact CD2-CB 4.43Å; N215-S265 WeakPolarHBondContact O-CB 3.5Å; N215-S265 PolarHBondContact O-N 2.98Å; N215-S265 PolarHBondContact O-OG 3.06Å; N215-E266 PolarHBondContact ND2-OE1 2.83Å |
| 216 | C | 92.7 | Very high | 88.1 | Confident | 25 Ų | 25 | 74.1 Ų | 74.1 | 17% | 0.169 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 138.9 | 177.2 | -72.9 | 0 | 0 | 0 | 0 | 111.4 | V213 M214 V262 K263 S265 | V213-C216 HydrophobicContact CB-CB 4.18Å; V213-C216 HydrophobicContact CG2-CB 3.72Å; M214-C216 PolarHBondContact O-N 3.05Å; C216-V262 HydrophobicContact CB-CG1 3.74Å; C216-K263 CarbonylContact C-O 3.56Å; C216-K263 WeakPolarHBondContact CA-O 3.17Å; C216-S265 PolarHBondContact N-OG 2.96Å |
| 217 | T | 93.7 | Very high | 86.8 | Confident | 70 Ų | 70 | 78.2 Ų | 78.2 | 43% | 0.429 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 130.5 | 171.8 | 51.2 | 0 | 0 | 0 | 0 | 110.2 | V262 K263 | T217-V262 WeakPolarHBondContact O-CA 3.48Å; T217-K263 PolarHBondContact N-O 3.17Å; T217-K263 PolarHBondContact O-N 3.12Å; T217-K263 PolarHBondContact OG1-O 2.95Å |
| 218 | V | 93.9 | Very high | 85.1 | Confident | 44 Ų | 44 | 83.1 Ų | 83.1 | 27% | 0.267 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 123.5 | 176.2 | -174.3 | 0 | 0 | 0 | 0 | 108.6 | T220 H260 V262 F274 Y280 | V218-T220 HydrophobicContact CG1-CG2 4.34Å; V218-T220 PolarHBondContact O-N 3.3Å; V218-H260 HydrophobicContact CG1-CB 3.84Å; V218-V262 HydrophobicContact CG1-CG2 4.4Å; V218-V262 HydrophobicContact CG2-CG2 4.09Å; V218-F274 HydrophobicContact CG1-CB 4.03Å; V218-F274 HydrophobicContact CG1-CD1 4.25Å; V218-F274 HydrophobicContact CG1-CG 4.32Å; V218-Y280 HydrophobicContact CG2-CE1 3.75Å |
| 219 | K | 91.6 | Very high | 83.1 | Confident | 74 Ų | 74 | 91.5 Ų | 91.5 | 32% | 0.322 | 44% | 0.443 | S | S | . | . | trans | -86.6 | 92.2 | 172.3 | -71.7 | -156.2 | 177.2 | -168.6 | 0 | 110.1 | D221 E222 P261 K263 | K219-D221 PolarHBondContact O-N 2.72Å; K219-E222 HydrophobicContact CD-CG 4.48Å; K219-E222 VanDerWaalsContact CD-OE1 3.24Å; K219-E222 WeakPolarHBondContact CD-OE1 3.26Å; K219-E222 IonicContact NZ-OE1 3.8Å; K219-E222 PolarHBondContact NZ-OE1 2.78Å; K219-E222 PolarHBondContact O-N 3.34Å; K219-P261 HydrophobicContact CB-CG 4.14Å; K219-P261 PolarHBondContact N-O 3.36Å; K219-K263 HydrophobicContact CD-CD 4.23Å | ||
| 220 | T | 86.8 | Confident | 81 | Confident | 94 Ų | 94 | 95.6 Ų | 95.6 | 58% | 0.577 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -18.1 | 177.5 | 50.6 | 0 | 0 | 0 | 0 | 113.6 | V218 E222 | V218-T220 HydrophobicContact CG1-CG2 4.34Å; V218-T220 PolarHBondContact O-N 3.3Å; T220-E222 VanDerWaalsContact C-N 3.34Å |
| 221 | D | 83.4 | Confident | 78.9 | Confident | 151 Ų | 151 | 104.1 Ų | 104.1 | 81% | 0.807 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -24.8 | -177.8 | -53.7 | -33.4 | 0 | 0 | 0 | 112.7 | K219 | K219-D221 PolarHBondContact O-N 2.72Š|
| 222 | E | 83.6 | Confident | 76.9 | Confident | 80 Ų | 80 | 110.1 Ų | 110.1 | 37% | 0.374 | 53% | 0.529 | S | S | . | . | trans | -102.4 | 122.6 | -178.5 | -67.7 | 171.6 | -152.8 | 0 | 0 | 108.8 | K219 T220 P261 K263 | K219-E222 HydrophobicContact CD-CG 4.48Å; K219-E222 VanDerWaalsContact CD-OE1 3.24Å; K219-E222 WeakPolarHBondContact CD-OE1 3.26Å; K219-E222 IonicContact NZ-OE1 3.8Å; K219-E222 PolarHBondContact NZ-OE1 2.78Å; K219-E222 PolarHBondContact O-N 3.34Å; T220-E222 VanDerWaalsContact C-N 3.34Å; E222-P261 HydrophobicContact CB-CG 3.7Å; E222-P261 WeakPolarHBondContact O-CD 3.3Å; E222-P261 WeakPolarHBondContact OE2-CG 3.24Å; E222-K263 IonicContact OE2-NZ 2.68Å | ||
| 223 | V | 84.3 | Confident | 75.3 | Confident | 73 Ų | 73 | 116.7 Ų | 116.7 | 44% | 0.442 | 56% | 0.557 | S | S | . | * | trans | -113.5 | 113.6 | 177.8 | 167.5 | 0 | 0 | 0 | 0 | 109.8 | R225 I258 | V223-R225 HydrophobicContact CG1-CG 4.08Å; V223-I258 HydrophobicContact CB-CG2 4.37Å; V223-I258 HydrophobicContact CG1-CB 4.28Å; V223-I258 HydrophobicContact CG1-CG1 4.15Å; V223-I258 HydrophobicContact CG1-CG2 3.54Å; V223-I258 HydrophobicContact CG2-CG2 4.02Å | ||
| 224 | L | 81.2 | Confident | 73.2 | Confident | 74 Ų | 74 | 121.1 Ų | 121.1 | 39% | 0.387 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87 | 127.7 | 168.9 | -74.8 | 138.9 | 0 | 0 | 0 | 109.1 | Y259 P261 V273 | L224-Y259 PolarHBondContact N-O 3.11Å; L224-Y259 PolarHBondContact O-N 3.49Å; L224-P261 HydrophobicContact CD1-CB 3.86Å; L224-P261 HydrophobicContact CD1-CG 3.95Å; L224-V273 HydrophobicContact CD1-CG1 4.13Å |
| 225 | R | 79.1 | Confident | 71.5 | Confident | 158 Ų | 158 | 130.5 Ų | 130.5 | 60% | 0.596 | 62% | 0.619 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.4 | 117.8 | 171.4 | -63.3 | -170.6 | -170.6 | -171.6 | 7.9 | 109.3 | V223 D256 | V223-R225 HydrophobicContact CG1-CG 4.08Å; R225-D256 IonicContact CZ-OD2 3.71Å; R225-D256 IonicContact NE-OD2 3.96Å; R225-D256 IonicContact NH1-OD2 2.83Å; R225-D256 PolarHBondContact NH1-OD2 2.91Å |
| 226 | Y | 67.9 | Low | 69.7 | Low | 186 Ų | 186 | 137.3 Ų | 137.3 | 73% | 0.729 | 65% | 0.646 | S | S | * | * | trans | -89.4 | 119.9 | 173.9 | -125.8 | -93 | 0 | 0 | 0 | 109.9 | M228 | Y226-M228 PolarHBondContact O-N 2.87Å; Y226-M228 VanDerWaalsContact O-N 3.12Å | ||
| 227 | K | 62.5 | Low | 68 | Low | 187 Ų | 187 | 147.8 Ų | 147.8 | 81% | 0.813 | 68% | 0.682 | S | S | * | * | trans | -74.2 | 103.8 | 169.7 | -70.7 | -174.3 | 178.8 | 177.3 | 0 | 107.8 | Q229 | K227-Q229 PolarHBondContact O-N 3.49Š| ||
| 228 | M | 56.4 | Low | 65.7 | Low | 158 Ų | 158 | 156.3 Ų | 156.3 | 78% | 0.778 | 71% | 0.706 | S | S | * | * | trans | -59.6 | 112.8 | 172.9 | -154.5 | 165.8 | 69.1 | 0 | 0 | 108 | Y226 Q230 | Y226-M228 PolarHBondContact O-N 2.87Å; Y226-M228 VanDerWaalsContact O-N 3.12Å; M228-Q230 PolarHBondContact O-N 2.83Å | ||
| 229 | Q | 50.5 | Low | 63.3 | Low | 182 Ų | 182 | 166 Ų | 166 | 85% | 0.85 | 74% | 0.738 | S | S | * | * | trans | -64 | 104.7 | 175.6 | -72.8 | -175.8 | 5.7 | 0 | 0 | 106.9 | K227 E231 | K227-Q229 PolarHBondContact O-N 3.49Å; Q229-E231 PolarHBondContact O-N 3.48Å | ||
| 230 | Q | 49.4 | Very low | 60.7 | Low | 173 Ų | 173 | 165.6 Ų | 165.6 | 81% | 0.808 | 76% | 0.755 | S | S | * | * | trans | -53.1 | 111.2 | 175 | -69.2 | -178.5 | -9.2 | 0 | 0 | 108.4 | M228 K232 | M228-Q230 PolarHBondContact O-N 2.83Å; Q230-K232 PolarHBondContact O-N 2.96Å | ||
| 231 | E | 48.9 | Very low | 58.3 | Low | 182 Ų | 182 | 170 Ų | 170 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | trans | -55.2 | 110.9 | 168 | -70.6 | -163 | 163.7 | 0 | 0 | 107.3 | Q229 K233 | Q229-E231 PolarHBondContact O-N 3.48Å; E231-K233 PolarHBondContact O-N 2.76Å | ||
| 232 | K | 47.6 | Very low | 55.8 | Low | 203 Ų | 203 | 169.1 Ų | 169.1 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | trans | -63.9 | 98 | -177.8 | -68.8 | 178.2 | -178.6 | 173.6 | 0 | 107.9 | Q230 | Q230-K232 PolarHBondContact O-N 2.96Š| ||
| 233 | K | 53.3 | Low | 53.5 | Low | 190 Ų | 190 | 169.7 Ų | 169.7 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | trans | -51.8 | 128.8 | 169.1 | -71.1 | -176.8 | 178.6 | 178 | 0 | 108.8 | E231 R235 | E231-K233 PolarHBondContact O-N 2.76Å; K233-R235 PolarHBondContact O-N 3.3Å; K233-R235 VanDerWaalsContact O-N 3.15Å | ||
| 234 | P | 47 | Very low | 51.2 | Low | 129 Ų | 129 | 175.4 Ų | 175.4 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | trans | -64.5 | 118.4 | -178.4 | 24 | -31.9 | 0 | 0 | 0 | 110.1 | K236 | P234-K236 PolarHBondContact O-N 2.64Å; P234-K236 VanDerWaalsContact O-N 3.11Å | ||
| 235 | R | 56 | Low | 48.8 | Very low | 244 Ų | 244 | 176.1 Ų | 176.1 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | trans | -69.4 | 105.8 | 179.2 | -70.9 | -179.9 | 118.2 | 124.5 | -1.4 | 109.9 | K233 R237 | K233-R235 PolarHBondContact O-N 3.3Å; K233-R235 VanDerWaalsContact O-N 3.15Å; R235-R237 PolarHBondContact O-N 3.43Å | ||
| 236 | K | 54.1 | Low | 47.2 | Very low | 207 Ų | 207 | 173.8 Ų | 173.8 | 90% | 0.9 | 84% | 0.84 | S | S | * | * | trans | -64.3 | 114.9 | 167.5 | -151.8 | 174 | -172.7 | 176.6 | 0 | 108.4 | P234 R238 | P234-K236 PolarHBondContact O-N 2.64Å; P234-K236 VanDerWaalsContact O-N 3.11Å; K236-R238 PolarHBondContact O-N 2.78Å | ||
| 237 | R | 56.3 | Low | 45.5 | Very low | 245 Ų | 245 | 169.8 Ų | 169.8 | 93% | 0.925 | 84% | 0.84 | S | S | * | * | trans | -58.5 | 118.1 | 175.3 | -75.5 | 176.6 | 145.1 | -175.4 | -5.8 | 109.8 | R235 | R235-R237 PolarHBondContact O-N 3.43Š| ||
| 238 | R | 46 | Very low | 44.4 | Very low | 248 Ų | 248 | 166.7 Ų | 166.7 | 94% | 0.936 | 84% | 0.839 | S | S | * | * | trans | -144.2 | 128.9 | 152.9 | -146.5 | 174.1 | 168.6 | -170.6 | -4.9 | 111.1 | K236 | K236-R238 PolarHBondContact O-N 2.78Š| ||
| 239 | R | 42.2 | Very low | 43.7 | Very low | 248 Ų | 248 | 169.9 Ų | 169.9 | 94% | 0.936 | 84% | 0.842 | S | S | * | * | trans | -73.7 | 135.9 | -171.6 | -174.3 | -178.8 | -174.6 | -162.2 | 2 | 110.7 | ||||
| 240 | G | 36.9 | Very low | 43.1 | Very low | 65 Ų | 65 | 166.6 Ų | 166.6 | 67% | 0.67 | 84% | 0.837 | S | S | * | * | trans | 123.9 | 114.5 | 151.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 241 | Q | 36.8 | Very low | 42.7 | Very low | 188 Ų | 188 | 163.6 Ų | 163.6 | 88% | 0.879 | 84% | 0.841 | S | S | * | * | trans | 83.6 | 105 | 138.7 | -66 | 177.4 | 25.1 | 0 | 0 | 121.6 | ||||
| 242 | T | 31.6 | Very low | 42.4 | Very low | 131 Ų | 131 | 158.5 Ų | 158.5 | 80% | 0.804 | 84% | 0.838 | S | S | * | * | trans | 49.9 | 117.7 | 130.2 | 48.2 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 243 | A | 35.7 | Very low | 41.9 | Very low | 93 Ų | 93 | 157 Ų | 157 | 77% | 0.769 | 84% | 0.836 | S | S | * | * | trans | 65.4 | 129.1 | 134.6 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 244 | E | 35.5 | Very low | 41.5 | Very low | 192 Ų | 192 | 154.6 Ų | 154.6 | 90% | 0.897 | 83% | 0.832 | S | S | * | * | trans | 64.5 | 93.3 | 147.1 | -64.9 | -90.7 | 131.7 | 0 | 0 | 118.1 | ||||
| 245 | A | 30.3 | Very low | 41.8 | Very low | 89 Ų | 89 | 152.6 Ų | 152.6 | 74% | 0.736 | 82% | 0.821 | S | S | * | * | trans | -166.5 | 119.6 | 134.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | S247 | A245-S247 PolarHBondContact O-N 3.04Š| ||
| 246 | A | 45.8 | Very low | 42 | Very low | 109 Ų | 109 | 144.2 Ų | 144.2 | 90% | 0.901 | 79% | 0.794 | S | S | * | * | trans | -61.1 | 101.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 247 | S | 32.9 | Very low | 42.9 | Very low | 102 Ų | 102 | 138 Ų | 138 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 135.5 | 171.3 | -48.8 | 0 | 0 | 0 | 0 | 109.7 | A245 R249 | A245-S247 PolarHBondContact O-N 3.04Å; S247-R249 PolarHBondContact O-N 3.31Å |
| 248 | P | 39.8 | Very low | 44.3 | Very low | 122 Ų | 122 | 128.6 Ų | 128.6 | 79% | 0.792 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 124.7 | 175.5 | 26.3 | -30.1 | 0 | 0 | 0 | 108.5 | ||
| 249 | R | 41.4 | Very low | 46.4 | Very low | 226 Ų | 226 | 118.5 Ų | 118.5 | 85% | 0.853 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 132.6 | 167.7 | -77.5 | 172 | 134.1 | -170.1 | -8.4 | 108 | S247 A251 | S247-R249 PolarHBondContact O-N 3.31Å; R249-A251 PolarHBondContact O-N 3.22Å |
| 250 | P | 37.5 | Very low | 48.8 | Very low | 113 Ų | 113 | 108.6 Ų | 108.6 | 73% | 0.734 | 66% | 0.663 | S | S | * | * | trans | -62.8 | 110.3 | 170 | 26.1 | -30.5 | 0 | 0 | 0 | 107.7 | G252 | P250-G252 PolarHBondContact O-N 2.83Å; P250-G252 VanDerWaalsContact O-N 3.14Å | ||
| 251 | A | 41.4 | Very low | 51.5 | Low | 110 Ų | 110 | 105.5 Ų | 105.5 | 91% | 0.909 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | 105.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | R249 | R249-A251 PolarHBondContact O-N 3.22Š|
| 252 | G | 42 | Very low | 54.2 | Low | 75 Ų | 75 | 96.6 Ų | 96.6 | 77% | 0.773 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 153.4 | 4.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | P250 | P250-G252 PolarHBondContact O-N 2.83Å; P250-G252 VanDerWaalsContact O-N 3.14Å |
| 253 | M | 38.2 | Very low | 57.2 | Low | 170 Ų | 170 | 92 Ų | 92 | 84% | 0.837 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -133.6 | 39.4 | -177.6 | -71.7 | -176.4 | 113.3 | 0 | 0 | 114.2 | ||
| 254 | D | 44.3 | Very low | 60.1 | Low | 141 Ų | 141 | 87.6 Ų | 87.6 | 75% | 0.754 | 52% | 0.521 | S | S | * | . | trans | -140.8 | 61.4 | 165.7 | -97 | -48 | 0 | 0 | 0 | 108 | D256 | D254-D256 VanDerWaalsContact C-N 3.26Å; D254-D256 PolarHBondContact O-N 3.42Å | ||
| 255 | S | 53.2 | Low | 62.9 | Low | 86 Ų | 86 | 81.2 Ų | 81.2 | 60% | 0.601 | 50% | 0.498 | S | S | * | . | trans | -76.4 | 92.5 | 154.8 | 54 | 0 | 0 | 0 | 0 | 105.7 | E257 | S255-E257 VanDerWaalsContact C-N 3.28Å; S255-E257 PolarHBondContact O-N 3.09Å | ||
| 256 | D | 60.6 | Low | 66 | Low | 68 Ų | 68 | 82.7 Ų | 82.7 | 36% | 0.364 | 49% | 0.49 | S | S | . | . | trans | -47.6 | 103 | 159.3 | -98.9 | -9.6 | 0 | 0 | 0 | 105.7 | R225 D254 I258 K276 | R225-D256 IonicContact CZ-OD2 3.71Å; R225-D256 IonicContact NE-OD2 3.96Å; R225-D256 IonicContact NH1-OD2 2.83Å; R225-D256 PolarHBondContact NH1-OD2 2.91Å; D254-D256 VanDerWaalsContact C-N 3.26Å; D254-D256 PolarHBondContact O-N 3.42Å; D256-I258 PolarHBondContact O-N 3.4Å; D256-I258 VanDerWaalsContact O-N 3.12Å; D256-K276 PolarHBondContact O-NZ 2.73Å | ||
| 257 | E | 73 | Confident | 68.4 | Low | 78 Ų | 78 | 79.2 Ų | 79.2 | 36% | 0.364 | 46% | 0.459 | S | S | . | . | trans | -65.4 | 113.7 | 176.4 | -71.6 | 170.9 | -177 | 0 | 0 | 105.8 | S255 Y259 | S255-E257 VanDerWaalsContact C-N 3.28Å; S255-E257 PolarHBondContact O-N 3.09Å; E257-Y259 HydrophobicContact CB-CD2 4.18Å; E257-Y259 HydrophobicContact CB-CE2 3.35Å; E257-Y259 HydrophobicContact CG-CE2 4.47Å; E257-Y259 WeakPolarHBondContact O-CD2 3.42Å; E257-Y259 PolarHBondContact OE2-OH 3.31Å | ||
| 258 | I | 85.9 | Confident | 71.3 | Confident | 46 Ų | 46 | 78.7 Ų | 78.7 | 24% | 0.236 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 118.6 | -175.7 | -73.6 | 163.6 | 0 | 0 | 0 | 105.1 | V223 D256 | V223-I258 HydrophobicContact CB-CG2 4.37Å; V223-I258 HydrophobicContact CG1-CB 4.28Å; V223-I258 HydrophobicContact CG1-CG1 4.15Å; V223-I258 HydrophobicContact CG1-CG2 3.54Å; V223-I258 HydrophobicContact CG2-CG2 4.02Å; D256-I258 PolarHBondContact O-N 3.4Å; D256-I258 VanDerWaalsContact O-N 3.12Å |
| 259 | Y | 90.1 | Very high | 73.9 | Confident | 36 Ų | 36 | 74.8 Ų | 74.8 | 14% | 0.141 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 136.7 | -179.9 | -66.1 | -77.5 | 0 | 0 | 0 | 109.6 | L224 E257 V273 F274 D275 | L224-Y259 PolarHBondContact N-O 3.11Å; L224-Y259 PolarHBondContact O-N 3.49Å; E257-Y259 HydrophobicContact CB-CD2 4.18Å; E257-Y259 HydrophobicContact CB-CE2 3.35Å; E257-Y259 HydrophobicContact CG-CE2 4.47Å; E257-Y259 WeakPolarHBondContact O-CD2 3.42Å; E257-Y259 PolarHBondContact OE2-OH 3.31Å; Y259-V273 HydrophobicContact CD1-CB 4.38Å; Y259-V273 HydrophobicContact CD1-CG2 4.02Å; Y259-V273 HydrophobicContact CG-CG2 4.46Å; Y259-F274 WeakPolarHBondContact CA-O 3.32Å; Y259-D275 HydrophobicContact CD1-CB 3.99Å; Y259-D275 HydrophobicContact CE1-CB 3.78Å; Y259-D275 VanDerWaalsContact CE1-CG 3.49Å |
| 260 | H | 91.2 | Very high | 76.4 | Confident | 41 Ų | 41 | 67.5 Ų | 67.5 | 19% | 0.19 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 129.5 | 175.4 | -56.6 | 91.1 | 0 | 0 | 0 | 109.4 | V218 V273 F274 | V218-H260 HydrophobicContact CG1-CB 3.84Å; H260-V273 CarbonylContact O-C 3.48Å; H260-V273 VanDerWaalsContact O-CA 3.31Å; H260-V273 WeakPolarHBondContact O-CA 3.42Å; H260-F274 HydrophobicContact CB-CB 4.38Å; H260-F274 PolarHBondContact N-O 3.07Å; H260-F274 PolarHBondContact O-N 3.41Å |
| 261 | P | 93.3 | Very high | 79.1 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 143.1 | -179.5 | 24 | -24.6 | 0 | 0 | 0 | 111 | K219 E222 L224 E270 | K219-P261 HydrophobicContact CB-CG 4.14Å; K219-P261 PolarHBondContact N-O 3.36Å; E222-P261 HydrophobicContact CB-CG 3.7Å; E222-P261 WeakPolarHBondContact O-CD 3.3Å; E222-P261 WeakPolarHBondContact OE2-CG 3.24Å; L224-P261 HydrophobicContact CD1-CB 3.86Å; L224-P261 HydrophobicContact CD1-CG 3.95Å; P261-E270 HydrophobicContact CB-CG 4.44Å |
| 262 | V | 94.5 | Very high | 81.6 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 126.3 | -177.8 | -176 | 0 | 0 | 0 | 0 | 108.9 | C216 T217 V218 V271 A272 F274 Y280 | C216-V262 HydrophobicContact CB-CG1 3.74Å; T217-V262 WeakPolarHBondContact O-CA 3.48Å; V218-V262 HydrophobicContact CG1-CG2 4.4Å; V218-V262 HydrophobicContact CG2-CG2 4.09Å; V262-V271 WeakPolarHBondContact O-CG2 3.5Å; V262-V271 PolarHBondContact O-N 3.48Å; V262-A272 WeakPolarHBondContact CA-O 3.2Å; V262-A272 HydrophobicContact CB-CB 3.9Å; V262-A272 WeakPolarHBondContact CB-O 3.44Å; V262-A272 HydrophobicContact CG1-CB 4.4Å; V262-A272 HydrophobicContact CG2-CB 4.39Å; V262-A272 PolarHBondContact N-O 3.19Å; V262-A272 PolarHBondContact O-N 3.04Å; V262-F274 HydrophobicContact CG2-CB 3.7Å; V262-Y280 HydrophobicContact CG1-CD1 4.16Å; V262-Y280 HydrophobicContact CG1-CE1 4.15Å; V262-Y280 HydrophobicContact CG2-CD1 3.94Å; V262-Y280 HydrophobicContact CG2-CE1 4.06Å |
| 263 | K | 95.2 | Very high | 84 | Confident | 34 Ų | 34 | 54.5 Ų | 54.5 | 15% | 0.148 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 148.7 | -175.7 | -50.1 | -160.7 | -173.5 | -166.8 | 0 | 110.8 | C216 T217 K219 E222 S268 T269 E270 | C216-K263 CarbonylContact C-O 3.56Å; C216-K263 WeakPolarHBondContact CA-O 3.17Å; T217-K263 PolarHBondContact N-O 3.17Å; T217-K263 PolarHBondContact O-N 3.12Å; T217-K263 PolarHBondContact OG1-O 2.95Å; K219-K263 HydrophobicContact CD-CD 4.23Å; E222-K263 IonicContact OE2-NZ 2.68Å; K263-S268 WeakPolarHBondContact CD-O 3.47Å; K263-T269 CarbonylContact C-O 3.58Å; K263-T269 VanDerWaalsContact CA-O 3.23Å; K263-T269 WeakPolarHBondContact CA-O 3.47Å; K263-E270 HydrophobicContact CG-CB 4.49Å |
| 264 | C | 95.9 | Very high | 86.6 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.007 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 138.8 | 170.1 | -177.9 | 0 | 0 | 0 | 0 | 109.8 | L194 E266 S268 T269 | L194-C264 HydrophobicContact CD2-CB 4.35Å; C264-E266 VanDerWaalsContact C-N 3.33Å; C264-S268 WeakPolarHBondContact O-CA 3.35Å; C264-S268 PolarHBondContact O-N 2.94Å; C264-T269 PolarHBondContact N-O 2.83Å |
| 265 | S | 95.3 | Very high | 88.8 | Confident | 59 Ų | 59 | 42.4 Ų | 42.4 | 41% | 0.413 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -29.7 | -179.6 | -50.4 | 0 | 0 | 0 | 0 | 112.1 | N215 C216 | N215-S265 WeakPolarHBondContact O-CB 3.5Å; N215-S265 PolarHBondContact O-N 2.98Å; N215-S265 PolarHBondContact O-OG 3.06Å; C216-S265 PolarHBondContact N-OG 2.96Å |
| 266 | E | 94.9 | Very high | 90.3 | Very high | 120 Ų | 120 | 43.4 Ų | 43.4 | 56% | 0.561 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -47.5 | -175.8 | -51.9 | -56.4 | 150.8 | 0 | 0 | 112.2 | T192 N215 C264 | T192-E266 HydrophobicContact CG2-CG 3.93Å; N215-E266 PolarHBondContact ND2-OE1 2.83Å; C264-E266 VanDerWaalsContact C-N 3.33Å |
| 267 | C | 94.8 | Very high | 91.5 | Very high | 36 Ų | 36 | 46.1 Ų | 46.1 | 24% | 0.243 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | 1.9 | -172.4 | 69.8 | 0 | 0 | 0 | 0 | 114.2 | C187 A189 C190 T269 | C187-C267 PolarHBondContact SG-SG 3.21Å; A189-C267 HydrophobicContact CB-CB 4.4Å; C190-C267 HydrophobicContact CB-CB 3.97Å; C190-C267 PolarHBondContact SG-SG 3.01Å; C267-T269 PolarHBondContact O-N 3.01Å; C267-T269 PolarHBondContact SG-OG1 3.47Å |
| 268 | S | 93.8 | Very high | 92.2 | Very high | 90 Ų | 90 | 48.9 Ų | 48.9 | 63% | 0.629 | 25% | 0.254 | S | S | * | . | trans | 59.3 | 10 | 180 | 73.2 | 0 | 0 | 0 | 0 | 116.5 | K263 C264 | K263-S268 WeakPolarHBondContact CD-O 3.47Å; C264-S268 WeakPolarHBondContact O-CA 3.35Å; C264-S268 PolarHBondContact O-N 2.94Å | ||
| 269 | T | 94.6 | Very high | 92.4 | Very high | 40 Ų | 40 | 47.5 Ų | 47.5 | 25% | 0.245 | 25% | 0.248 | C | C | . | . | trans | -66.6 | 136.5 | 176.2 | -54.2 | 0 | 0 | 0 | 0 | 110.8 | P188 A189 K263 C264 C267 V271 | P188-T269 HydrophobicContact CG-CG2 4.34Å; A189-T269 WeakPolarHBondContact CB-OG1 3.41Å; K263-T269 CarbonylContact C-O 3.58Å; K263-T269 VanDerWaalsContact CA-O 3.23Å; K263-T269 WeakPolarHBondContact CA-O 3.47Å; C264-T269 PolarHBondContact N-O 2.83Å; C267-T269 PolarHBondContact O-N 3.01Å; C267-T269 PolarHBondContact SG-OG1 3.47Å; T269-V271 HydrophobicContact CG2-CG1 4.45Å; T269-V271 PolarHBondContact O-N 2.95Å | ||
| 270 | E | 93.9 | Very high | 92.6 | Very high | 73 Ų | 73 | 47.6 Ų | 47.6 | 34% | 0.341 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 121.3 | 174.1 | -171 | 174.1 | 163.5 | 0 | 0 | 110.6 | P261 K263 | P261-E270 HydrophobicContact CB-CG 4.44Å; K263-E270 HydrophobicContact CG-CB 4.49Å |
| 271 | V | 93.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | -26.4 | -168.7 | -70 | 0 | 0 | 0 | 0 | 112.7 | L194 V262 T269 F282 F283 I285 | L194-V271 HydrophobicContact CD1-CB 3.99Å; L194-V271 HydrophobicContact CD1-CG1 3.93Å; L194-V271 HydrophobicContact CD1-CG2 3.95Å; V262-V271 WeakPolarHBondContact O-CG2 3.5Å; V262-V271 PolarHBondContact O-N 3.48Å; T269-V271 HydrophobicContact CG2-CG1 4.45Å; T269-V271 PolarHBondContact O-N 2.95Å; V271-F282 HydrophobicContact CB-CD1 4.46Å; V271-F282 HydrophobicContact CG2-CE1 4.24Å; V271-F283 PolarHBondContact O-N 2.93Å; V271-I285 HydrophobicContact CB-CG2 4.21Å |
| 272 | A | 93.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 172.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | V262 H281 F282 | V262-A272 WeakPolarHBondContact CA-O 3.2Å; V262-A272 HydrophobicContact CB-CB 3.9Å; V262-A272 WeakPolarHBondContact CB-O 3.44Å; V262-A272 HydrophobicContact CG1-CB 4.4Å; V262-A272 HydrophobicContact CG2-CB 4.39Å; V262-A272 PolarHBondContact N-O 3.19Å; V262-A272 PolarHBondContact O-N 3.04Å; A272-H281 CarbonylContact C-O 3.52Å; A272-H281 WeakPolarHBondContact CA-O 3.48Å; A272-H281 WeakPolarHBondContact CB-O 3.38Å; A272-F282 HydrophobicContact CB-CB 4.43Å; A272-F282 HydrophobicContact CB-CD1 3.47Å; A272-F282 VanDerWaalsContact CB-CD1 3.47Å; A272-F282 HydrophobicContact CB-CD2 4.37Å; A272-F282 HydrophobicContact CB-CE1 3.71Å; A272-F282 HydrophobicContact CB-CG 3.85Å; A272-F282 HydrophobicContact CB-CZ 4.26Å |
| 273 | V | 93 | Very high | 92.6 | Very high | 25 Ų | 25 | 51.6 Ų | 51.6 | 15% | 0.152 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 148.9 | 163.5 | -71.6 | 0 | 0 | 0 | 0 | 110.5 | L224 Y259 H260 H281 F283 | L224-V273 HydrophobicContact CD1-CG1 4.13Å; Y259-V273 HydrophobicContact CD1-CB 4.38Å; Y259-V273 HydrophobicContact CD1-CG2 4.02Å; Y259-V273 HydrophobicContact CG-CG2 4.46Å; H260-V273 CarbonylContact O-C 3.48Å; H260-V273 VanDerWaalsContact O-CA 3.31Å; H260-V273 WeakPolarHBondContact O-CA 3.42Å; V273-H281 HydrophobicContact CG2-CB 3.88Å; V273-H281 PolarHBondContact N-O 3.03Å; V273-H281 PolarHBondContact O-N 3.36Å; V273-F283 HydrophobicContact CG1-CE1 4.03Å; V273-F283 HydrophobicContact CG2-CE1 4.42Å |
| 274 | F | 93.1 | Very high | 92.2 | Very high | 41 Ų | 41 | 53.7 Ų | 53.7 | 18% | 0.18 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 125.4 | 179.2 | -176 | -107.1 | 0 | 0 | 0 | 109.9 | V218 Y259 H260 V262 E278 Y280 | V218-F274 HydrophobicContact CG1-CB 4.03Å; V218-F274 HydrophobicContact CG1-CD1 4.25Å; V218-F274 HydrophobicContact CG1-CG 4.32Å; Y259-F274 WeakPolarHBondContact CA-O 3.32Å; H260-F274 HydrophobicContact CB-CB 4.38Å; H260-F274 PolarHBondContact N-O 3.07Å; H260-F274 PolarHBondContact O-N 3.41Å; V262-F274 HydrophobicContact CG2-CB 3.7Å; F274-E278 VanDerWaalsContact CE2-C 3.47Å; F274-E278 HydrophobicContact CE2-CB 4.25Å; F274-E278 VanDerWaalsContact CZ-CA 3.45Å; F274-E278 HydrophobicContact CZ-CB 3.9Å; F274-E278 HydrophobicContact CZ-CG 4.16Å; F274-Y280 HydrophobicContact CB-CD1 4.48Å; F274-Y280 HydrophobicContact CB-CE1 4.44Å; F274-Y280 AromaticContact CD2-CD1 3.82Å; F274-Y280 HydrophobicContact CD2-CD1 3.82Å; F274-Y280 AromaticContact CD2-CD2 3.97Å; F274-Y280 HydrophobicContact CD2-CD2 3.97Å; F274-Y280 AromaticContact CD2-CE1 3.57Å; F274-Y280 HydrophobicContact CD2-CE1 3.57Å; F274-Y280 AromaticContact CD2-CE2 3.74Å; F274-Y280 HydrophobicContact CD2-CE2 3.74Å; F274-Y280 HydrophobicContact CD2-CG 4Å; F274-Y280 AromaticContact CD2-CZ 3.53Å; F274-Y280 HydrophobicContact CE2-CD2 4.11Å; F274-Y280 HydrophobicContact CE2-CE1 4.17Å; F274-Y280 AromaticContact CE2-CE2 3.6Å; F274-Y280 HydrophobicContact CE2-CE2 3.6Å; F274-Y280 AromaticContact CE2-CZ 3.62Å; F274-Y280 HydrophobicContact CG-CE1 4.32Å |
| 275 | D | 90.4 | Very high | 92 | Very high | 16 Ų | 16 | 54.8 Ų | 54.8 | 9% | 0.086 | 28% | 0.284 | C | S | . | . | trans | -95.3 | 171.3 | -176.2 | -165 | 6.7 | 0 | 0 | 0 | 112.2 | Y259 D277 E278 V279 H281 | Y259-D275 HydrophobicContact CD1-CB 3.99Å; Y259-D275 HydrophobicContact CE1-CB 3.78Å; Y259-D275 VanDerWaalsContact CE1-CG 3.49Å; D275-D277 PolarHBondContact O-N 3.1Å; D275-E278 PolarHBondContact O-N 3.34Å; D275-V279 PolarHBondContact N-O 2.84Å; D275-V279 VanDerWaalsContact N-O 3.07Å; D275-H281 IonicContact OD2-CE1 2.69Å | ||
| 276 | K | 85.1 | Confident | 92 | Very high | 108 Ų | 108 | 55.2 Ų | 55.2 | 47% | 0.47 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -27.6 | 175.6 | -63.5 | -179.1 | -174.1 | 169 | 0 | 113.5 | D256 E278 | D256-K276 PolarHBondContact O-NZ 2.73Å; K276-E278 PolarHBondContact O-N 3.42Å |
| 277 | D | 84.8 | Confident | 91.9 | Very high | 125 Ų | 125 | 51.2 Ų | 51.2 | 67% | 0.668 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | 13.6 | 177.1 | -66.2 | -22.8 | 0 | 0 | 0 | 112.7 | D275 V279 | D275-D277 PolarHBondContact O-N 3.1Å; D277-V279 HydrophobicContact CB-CG2 4.27Å; D277-V279 WeakPolarHBondContact O-CG2 3.25Å; D277-V279 PolarHBondContact O-N 3.45Å |
| 278 | E | 88.3 | Confident | 91.7 | Very high | 135 Ų | 135 | 52.5 Ų | 52.5 | 63% | 0.631 | 28% | 0.278 | S | S | * | . | S | Bend | trans | 59.5 | 28.9 | -177.6 | -54 | -177.8 | 155.4 | 0 | 0 | 113.7 | F274 D275 K276 | F274-E278 VanDerWaalsContact CE2-C 3.47Å; F274-E278 HydrophobicContact CE2-CB 4.25Å; F274-E278 VanDerWaalsContact CZ-CA 3.45Å; F274-E278 HydrophobicContact CZ-CB 3.9Å; F274-E278 HydrophobicContact CZ-CG 4.16Å; D275-E278 PolarHBondContact O-N 3.34Å; K276-E278 PolarHBondContact O-N 3.42Å |
| 279 | V | 91 | Very high | 91.3 | Very high | 18 Ų | 18 | 53.6 Ų | 53.6 | 11% | 0.109 | 27% | 0.273 | C | S | . | . | trans | -106.7 | 132.7 | 179.3 | -177.1 | 0 | 0 | 0 | 0 | 111.1 | R209 D275 D277 H281 | R209-V279 HydrophobicContact CB-CG1 4.1Å; D275-V279 PolarHBondContact N-O 2.84Å; D275-V279 VanDerWaalsContact N-O 3.07Å; D277-V279 HydrophobicContact CB-CG2 4.27Å; D277-V279 WeakPolarHBondContact O-CG2 3.25Å; D277-V279 PolarHBondContact O-N 3.45Å; V279-H281 PolarHBondContact O-ND1 2.73Å | ||
| 280 | Y | 93.4 | Very high | 89.7 | Confident | 38 Ų | 38 | 60 Ų | 60 | 15% | 0.149 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 126 | 172.2 | -63.6 | -94.1 | 0 | 0 | 0 | 110.5 | R209 A210 V213 V218 V262 F274 | R209-Y280 CarbonylContact C-O 3.57Å; R209-Y280 VanDerWaalsContact CA-O 3.28Å; R209-Y280 WeakPolarHBondContact CA-O 3.21Å; A210-Y280 PolarHBondContact N-O 3.47Å; A210-Y280 WeakPolarHBondContact O-CB 3.14Å; A210-Y280 PolarHBondContact O-N 2.99Å; V213-Y280 HydrophobicContact CG1-CD1 3.87Å; V213-Y280 HydrophobicContact CG1-CD2 3.64Å; V213-Y280 HydrophobicContact CG1-CE1 4.32Å; V213-Y280 HydrophobicContact CG1-CE2 4.1Å; V213-Y280 HydrophobicContact CG1-CG 3.52Å; V213-Y280 HydrophobicContact CG2-CD1 4.01Å; V213-Y280 HydrophobicContact CG2-CD2 4.17Å; V213-Y280 HydrophobicContact CG2-CE1 3.6Å; V213-Y280 HydrophobicContact CG2-CE2 3.77Å; V213-Y280 HydrophobicContact CG2-CG 4.28Å; V213-Y280 VanDerWaalsContact CG2-CZ 3.47Å; V218-Y280 HydrophobicContact CG2-CE1 3.75Å; V262-Y280 HydrophobicContact CG1-CD1 4.16Å; V262-Y280 HydrophobicContact CG1-CE1 4.15Å; V262-Y280 HydrophobicContact CG2-CD1 3.94Å; V262-Y280 HydrophobicContact CG2-CE1 4.06Å; F274-Y280 HydrophobicContact CB-CD1 4.48Å; F274-Y280 HydrophobicContact CB-CE1 4.44Å; F274-Y280 AromaticContact CD2-CD1 3.82Å; F274-Y280 HydrophobicContact CD2-CD1 3.82Å; F274-Y280 AromaticContact CD2-CD2 3.97Å; F274-Y280 HydrophobicContact CD2-CD2 3.97Å; F274-Y280 AromaticContact CD2-CE1 3.57Å; F274-Y280 HydrophobicContact CD2-CE1 3.57Å; F274-Y280 AromaticContact CD2-CE2 3.74Å; F274-Y280 HydrophobicContact CD2-CE2 3.74Å; F274-Y280 HydrophobicContact CD2-CG 4Å; F274-Y280 AromaticContact CD2-CZ 3.53Å; F274-Y280 HydrophobicContact CE2-CD2 4.11Å; F274-Y280 HydrophobicContact CE2-CE1 4.17Å; F274-Y280 AromaticContact CE2-CE2 3.6Å; F274-Y280 HydrophobicContact CE2-CE2 3.6Å; F274-Y280 AromaticContact CE2-CZ 3.62Å; F274-Y280 HydrophobicContact CG-CE1 4.32Å |
| 281 | H | 93.1 | Very high | 89.5 | Confident | 32 Ų | 32 | 59.4 Ų | 59.4 | 15% | 0.148 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 107 | 175.6 | -63.6 | 82.9 | 0 | 0 | 0 | 109.6 | R209 A272 V273 D275 V279 | R209-H281 PolarHBondContact NE-NE2 3.36Å; R209-H281 VanDerWaalsContact NE-NE2 3.17Å; A272-H281 CarbonylContact C-O 3.52Å; A272-H281 WeakPolarHBondContact CA-O 3.48Å; A272-H281 WeakPolarHBondContact CB-O 3.38Å; V273-H281 HydrophobicContact CG2-CB 3.88Å; V273-H281 PolarHBondContact N-O 3.03Å; V273-H281 PolarHBondContact O-N 3.36Å; D275-H281 IonicContact OD2-CE1 2.69Å; V279-H281 PolarHBondContact O-ND1 2.73Å |
| 282 | F | 94.6 | Very high | 89.2 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 0% | 0.004 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 135.6 | 178.8 | -67.9 | -87.6 | 0 | 0 | 0 | 111.2 | L185 L194 Q207 Y208 A210 V213 V271 A272 I285 | L185-F282 HydrophobicContact CD1-CB 4.23Å; L185-F282 HydrophobicContact CD1-CD1 4.43Å; L185-F282 HydrophobicContact CD1-CD2 3.61Å; L185-F282 HydrophobicContact CD1-CE2 4.01Å; L185-F282 HydrophobicContact CD1-CG 3.84Å; L194-F282 HydrophobicContact CB-CE1 4.32Å; L194-F282 HydrophobicContact CD1-CE1 4.23Å; Q207-F282 WeakPolarHBondContact CA-O 3.43Å; Q207-F282 WeakPolarHBondContact CB-O 3.34Å; Y208-F282 PolarHBondContact N-O 3.4Å; Y208-F282 VanDerWaalsContact N-O 3.1Å; Y208-F282 PolarHBondContact O-N 3.36Å; A210-F282 HydrophobicContact CB-CD2 4.45Å; A210-F282 HydrophobicContact CB-CE2 3.93Å; V213-F282 HydrophobicContact CB-CZ 4.38Å; V213-F282 HydrophobicContact CG1-CE2 3.7Å; V213-F282 HydrophobicContact CG1-CZ 3.49Å; V213-F282 VanDerWaalsContact CG1-CZ 3.49Å; V271-F282 HydrophobicContact CB-CD1 4.46Å; V271-F282 HydrophobicContact CG2-CE1 4.24Å; A272-F282 HydrophobicContact CB-CB 4.43Å; A272-F282 HydrophobicContact CB-CD1 3.47Å; A272-F282 VanDerWaalsContact CB-CD1 3.47Å; A272-F282 HydrophobicContact CB-CD2 4.37Å; A272-F282 HydrophobicContact CB-CE1 3.71Å; A272-F282 HydrophobicContact CB-CG 3.85Å; A272-F282 HydrophobicContact CB-CZ 4.26Å; F282-I285 HydrophobicContact CB-CG1 3.87Å; F282-I285 HydrophobicContact CB-CG2 3.99Å; F282-I285 HydrophobicContact CD1-CG2 3.48Å; F282-I285 VanDerWaalsContact CD1-CG2 3.48Å; F282-I285 HydrophobicContact CE1-CG2 4.35Å; F282-I285 HydrophobicContact CG-CG2 4.12Å |
| 283 | F | 90.8 | Very high | 89 | Confident | 91 Ų | 91 | 65.9 Ų | 65.9 | 40% | 0.399 | 35% | 0.352 | S | S | . | . | trans | -136.3 | -19.6 | 179.3 | 55.2 | -90.8 | 0 | 0 | 0 | 114.2 | Q207 V271 V273 | Q207-F283 HydrophobicContact CG-CB 4.14Å; V271-F283 PolarHBondContact O-N 2.93Å; V273-F283 HydrophobicContact CG1-CE1 4.03Å; V273-F283 HydrophobicContact CG2-CE1 4.42Å | ||
| 284 | N | 87.8 | Confident | 88.7 | Confident | 78 Ų | 78 | 68.4 Ų | 68.4 | 42% | 0.417 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -122.5 | 70.3 | 177 | -173 | 33.2 | 0 | 0 | 0 | 109.7 | P188 | P188-N284 WeakPolarHBondContact CD-O 3.33Å; P188-N284 WeakPolarHBondContact CG-O 3.43Å |
| 285 | I | 92.5 | Very high | 88.4 | Confident | 24 Ų | 24 | 70.1 Ų | 70.1 | 12% | 0.123 | 38% | 0.375 | C | S | . | . | trans | -134.8 | 162.5 | -176.9 | 56.3 | 66.5 | 0 | 0 | 0 | 112.1 | L185 L194 Y208 V271 F282 A287 | L185-I285 HydrophobicContact CD2-CD1 3.78Å; L185-I285 HydrophobicContact CD2-CG1 4.21Å; L194-I285 HydrophobicContact CD1-CG2 4.24Å; Y208-I285 HydrophobicContact CD2-CD1 3.63Å; Y208-I285 HydrophobicContact CD2-CG1 4.29Å; Y208-I285 HydrophobicContact CE2-CD1 3.73Å; V271-I285 HydrophobicContact CB-CG2 4.21Å; F282-I285 HydrophobicContact CB-CG1 3.87Å; F282-I285 HydrophobicContact CB-CG2 3.99Å; F282-I285 HydrophobicContact CD1-CG2 3.48Å; F282-I285 VanDerWaalsContact CD1-CG2 3.48Å; F282-I285 HydrophobicContact CE1-CG2 4.35Å; F282-I285 HydrophobicContact CG-CG2 4.12Å; I285-A287 HydrophobicContact CD1-CB 3.97Å | ||
| 286 | L | 93.9 | Very high | 88.3 | Confident | 69 Ų | 69 | 73.7 Ų | 73.7 | 36% | 0.361 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 120.2 | 168.5 | -61.2 | 175 | 0 | 0 | 0 | 108.4 | N186 P188 M191 | N186-L286 HydrophobicContact CB-CB 4.34Å; N186-L286 PolarHBondContact N-O 3.46Å; N186-L286 PolarHBondContact O-N 3.38Å; P188-L286 HydrophobicContact CB-CG 4.31Å; M191-L286 HydrophobicContact CE-CD1 3.34Å; M191-L286 HydrophobicContact SD-CD1 3.31Å; M191-L286 WeakPolarHBondContact SD-CD1 3.26Å |
| 287 | A | 93.5 | Very high | 88.5 | Confident | 36 Ų | 36 | 71.2 Ų | 71.2 | 30% | 0.298 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 119.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | A183 V184 L185 Y208 I285 | A183-A287 HydrophobicContact CB-CB 4.06Å; V184-A287 WeakPolarHBondContact O-CA 3.46Å; L185-A287 HydrophobicContact CD2-CB 4.14Å; Y208-A287 HydrophobicContact CE2-CB 3.67Å; Y208-A287 WeakPolarHBondContact OH-CB 3.02Å; I285-A287 HydrophobicContact CD1-CB 3.97Å |
| 288 | S | 90.6 | Very high | 88.8 | Confident | 62 Ų | 62 | 67.1 Ų | 67.1 | 43% | 0.434 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 121.4 | 171 | -62.2 | 0 | 0 | 0 | 0 | 108.8 | A183 V184 | A183-S288 WeakPolarHBondContact CA-O 3.18Å; V184-S288 PolarHBondContact N-O 3Å; V184-S288 PolarHBondContact O-N 3.2Å |
| 289 | H | 85.5 | Confident | 88.9 | Confident | 113 Ų | 113 | 61.4 Ų | 61.4 | 52% | 0.523 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -95 | 132.6 | 174.3 | -62.2 | -70 | 0 | 0 | 0 | 109 | D182 Y208 | D182-H289 PolarHBondContact O-ND1 3.15Å; Y208-H289 PolarHBondContact OH-CE1 3.05Å; Y208-H289 VanDerWaalsContact OH-CE1 3.3Å; Y208-H289 PolarHBondContact OH-NE2 2.92Å |
| 290 | C | 59.9 | Low | 88.7 | Confident | 175 Ų | 175 | 65.4 Ų | 65.4 | 100% | 1.182 | 37% | 0.367 | S | S | * | . | trans | -89.3 | 0 | 171.3 | 55.7 | 0 | 0 | 0 | 0 | 110.9 |
Retrieved 290 of 290 residues in 241.5 ms
(Link to these results)