| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 32.3 | Very low | 36.7 | Very low | 248 Ų | 248 | 130.7 Ų | 130.7 | 100% | 1.222 | 83% | 0.832 | S | S | * | * | 0 | 116 | 0 | -71.7 | 177.5 | 170.6 | 0 | 0 | 107.6 | |||||
| 2 | L | 32.8 | Very low | 37.1 | Very low | 163 Ų | 163 | 134.5 Ų | 134.5 | 85% | 0.853 | 84% | 0.84 | S | S | * | * | trans | -65.7 | 176.7 | 158.4 | -90.8 | 128 | 0 | 0 | 0 | 110 | ||||
| 3 | P | 57.4 | Low | 37.6 | Very low | 111 Ų | 111 | 136.2 Ų | 136.2 | 72% | 0.721 | 84% | 0.838 | S | S | * | * | cis | -142.3 | 170.9 | 8.2 | 23.7 | 2.3 | 0 | 0 | 0 | 117.2 | ||||
| 4 | C | 27.9 | Very low | 37.9 | Very low | 115 Ų | 115 | 137.4 Ų | 137.4 | 78% | 0.777 | 84% | 0.835 | S | S | * | * | 166.7 | 110.3 | 125.6 | -97.4 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 5 | A | 35.1 | Very low | 38 | Very low | 90 Ų | 90 | 144.8 Ų | 144.8 | 74% | 0.744 | 84% | 0.843 | S | S | * | * | 52.8 | 118.8 | 91.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 6 | S | 34.9 | Very low | 38.2 | Very low | 109 Ų | 109 | 140.9 Ų | 140.9 | 76% | 0.762 | 83% | 0.832 | S | S | * | * | cis | -175.3 | 165.4 | 49.7 | -36.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 7 | C | 30.8 | Very low | 38.4 | Very low | 128 Ų | 128 | 142.1 Ų | 142.1 | 87% | 0.865 | 83% | 0.833 | S | S | * | * | trans | 86.9 | 98.7 | 153.1 | -63.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 8 | L | 34.8 | Very low | 38.2 | Very low | 161 Ų | 161 | 143.5 Ų | 143.5 | 84% | 0.843 | 84% | 0.836 | S | S | * | * | trans | -77.1 | 170.5 | 134.8 | -86.8 | 161.7 | 0 | 0 | 0 | 109 | ||||
| 9 | P | 45.3 | Very low | 38.1 | Very low | 129 Ų | 129 | 144.6 Ų | 144.6 | 84% | 0.838 | 84% | 0.837 | S | S | * | * | cis | -147.9 | 176.6 | 30.6 | 39.4 | -17.5 | 0 | 0 | 0 | 117.5 | ||||
| 10 | G | 33.1 | Very low | 38.1 | Very low | 74 Ų | 74 | 145.6 Ų | 145.6 | 76% | 0.763 | 84% | 0.838 | S | S | * | * | trans | 141.7 | 66.5 | 149.4 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 11 | S | 39.2 | Very low | 38.2 | Very low | 110 Ų | 110 | 146.4 Ų | 146.4 | 77% | 0.769 | 84% | 0.839 | S | S | * | * | trans | -172.5 | 70.7 | 148.5 | -158.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 12 | L | 41.3 | Very low | 38.1 | Very low | 176 Ų | 176 | 143 Ų | 143 | 92% | 0.921 | 82% | 0.824 | S | S | * | * | trans | -141.5 | 42.6 | 172.7 | -90.1 | 171.1 | 0 | 0 | 0 | 111.3 | ||||
| 13 | L | 44.5 | Very low | 38.1 | Very low | 157 Ų | 157 | 139.1 Ų | 139.1 | 82% | 0.822 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -139 | 13.8 | 176.6 | -107.4 | 146.5 | 0 | 0 | 0 | 114.4 | ||
| 14 | L | 41.4 | Very low | 36.9 | Very low | 152 Ų | 152 | 139.8 Ų | 139.8 | 80% | 0.796 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -113.1 | 1.8 | 174.8 | -97.8 | 115.2 | 0 | 0 | 0 | 115.1 | ||
| 15 | W | 38.9 | Very low | 36.9 | Very low | 249 Ų | 249 | 139.2 Ų | 139.2 | 94% | 0.943 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -106.3 | 18.3 | 176.2 | -83.1 | 76.7 | 0 | 0 | 0 | 113.6 | ||
| 16 | A | 40.9 | Very low | 36.8 | Very low | 82 Ų | 82 | 140.4 Ų | 140.4 | 68% | 0.678 | 84% | 0.838 | S | S | * | * | S | Bend | trans | -119 | 6.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 17 | L | 42.1 | Very low | 37.2 | Very low | 161 Ų | 161 | 140.7 Ų | 140.7 | 84% | 0.843 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -124.2 | 9.5 | -178.7 | -118.8 | 110.7 | 0 | 0 | 0 | 115.4 | ||
| 18 | L | 35.6 | Very low | 37.2 | Very low | 168 Ų | 168 | 143.5 Ų | 143.5 | 88% | 0.88 | 84% | 0.838 | S | S | * | * | S | Bend | trans | -119.8 | 41.5 | 178.8 | -141.6 | 93 | 0 | 0 | 0 | 112.2 | ||
| 19 | L | 34.9 | Very low | 37.1 | Very low | 164 Ų | 164 | 143.5 Ų | 143.5 | 86% | 0.859 | 84% | 0.838 | S | S | * | * | S | Bend | trans | -130.8 | 24.2 | 179 | -105 | 162.9 | 0 | 0 | 0 | 113 | ||
| 20 | L | 38.6 | Very low | 36.5 | Very low | 164 Ų | 164 | 142.7 Ų | 142.7 | 86% | 0.859 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -124.9 | 3.6 | -178.6 | -102.5 | 162 | 0 | 0 | 0 | 115.8 | ||
| 21 | L | 40.3 | Very low | 37 | Very low | 164 Ų | 164 | 148.5 Ų | 148.5 | 86% | 0.859 | 84% | 0.843 | S | S | * | * | S | Bend | trans | -143.6 | 127.9 | 176.4 | -75.3 | 167.2 | 0 | 0 | 0 | 111 | ||
| 22 | L | 31.2 | Very low | 37 | Very low | 175 Ų | 175 | 151.4 Ų | 151.4 | 92% | 0.916 | 85% | 0.845 | S | S | * | * | trans | 92.6 | 99.1 | 168.9 | -57.1 | 162.9 | 0 | 0 | 0 | 115.5 | ||||
| 23 | G | 31.7 | Very low | 36.7 | Very low | 83 Ų | 83 | 149 Ų | 149 | 86% | 0.856 | 84% | 0.84 | S | S | * | * | trans | -66.7 | 154.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 24 | S | 31.3 | Very low | 36.2 | Very low | 125 Ų | 125 | 147.9 Ų | 147.9 | 87% | 0.874 | 84% | 0.835 | S | S | * | * | trans | -142.3 | 149.4 | 161.4 | 52.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 25 | A | 28.2 | Very low | 36.3 | Very low | 103 Ų | 103 | 145.3 Ų | 145.3 | 85% | 0.851 | 83% | 0.829 | S | S | * | * | trans | -72 | 162.9 | -162.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 26 | S | 33.5 | Very low | 36.7 | Very low | 115 Ų | 115 | 142.5 Ų | 142.5 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -40 | 163 | 172.8 | -122.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 27 | P | 43.8 | Very low | 37.6 | Very low | 115 Ų | 115 | 141.9 Ų | 141.9 | 75% | 0.747 | 81% | 0.808 | S | S | * | * | -153 | 150.5 | 69.3 | 37.9 | -17.3 | 0 | 0 | 0 | 117.5 | |||||
| 28 | Q | 30.1 | Very low | 38.5 | Very low | 187 Ų | 187 | 142.4 Ų | 142.4 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | 174.4 | 143.7 | 117.7 | -97.8 | -176 | -30 | 0 | 0 | 112.6 | |||||
| 29 | D | 32.8 | Very low | 40 | Very low | 160 Ų | 160 | 135.8 Ų | 135.8 | 86% | 0.856 | 77% | 0.773 | S | S | * | * | trans | -54.5 | 143 | -173.6 | -73.2 | -59.6 | 0 | 0 | 0 | 116.6 | ||||
| 30 | S | 32.3 | Very low | 41.6 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | trans | -142.6 | 113.9 | 140.4 | 55.8 | 0 | 0 | 0 | 0 | 108.4 | E32 | S30-E32 PolarHBondContact O-N 3Š| ||
| 31 | E | 43.4 | Very low | 43.1 | Very low | 195 Ų | 195 | 132.8 Ų | 132.8 | 91% | 0.911 | 76% | 0.763 | S | S | * | * | trans | -53.5 | 121.4 | 173.7 | -69.2 | 169.1 | 111.6 | 0 | 0 | 112 | ||||
| 32 | E | 40.3 | Very low | 44.3 | Very low | 171 Ų | 171 | 126 Ų | 126 | 80% | 0.799 | 73% | 0.732 | S | S | * | * | trans | -125.6 | 144.7 | 153 | -80.7 | -168.2 | 137.7 | 0 | 0 | 108.1 | S30 D34 | S30-E32 PolarHBondContact O-N 3Å; E32-D34 PolarHBondContact O-N 3.38Å | ||
| 33 | P | 34.9 | Very low | 46.6 | Very low | 126 Ų | 126 | 121.1 Ų | 121.1 | 82% | 0.818 | 70% | 0.702 | S | S | * | * | trans | -78.3 | 111.2 | -178.1 | 30.7 | -29.7 | 0 | 0 | 0 | 109.5 | S35 | P33-S35 PolarHBondContact O-N 3.19Š| ||
| 34 | D | 34.1 | Very low | 48.9 | Very low | 134 Ų | 134 | 123.8 Ų | 123.8 | 72% | 0.717 | 69% | 0.692 | S | S | * | * | trans | -66.8 | 94.5 | 171.7 | -75 | -39 | 0 | 0 | 0 | 110.1 | E32 Y36 | E32-D34 PolarHBondContact O-N 3.38Å; D34-Y36 VanDerWaalsContact C-N 3.27Å; D34-Y36 HydrophobicContact CB-CD2 3.94Å; D34-Y36 HydrophobicContact CB-CE2 3.9Å; D34-Y36 PolarHBondContact O-N 3.27Å | ||
| 35 | S | 43.7 | Very low | 51.3 | Low | 98 Ų | 98 | 122.6 Ų | 122.6 | 69% | 0.685 | 67% | 0.669 | S | S | * | * | trans | -68.1 | 88 | 160.5 | 167.8 | 0 | 0 | 0 | 0 | 108.3 | P33 T37 | P33-S35 PolarHBondContact O-N 3.19Å; S35-T37 VanDerWaalsContact C-N 3.34Å; S35-T37 PolarHBondContact O-N 2.99Å | ||
| 36 | Y | 48 | Very low | 53.7 | Low | 189 Ų | 189 | 119 Ų | 119 | 74% | 0.741 | 64% | 0.636 | S | S | * | * | trans | -64.8 | 91.9 | 169.5 | -88.9 | -92 | 0 | 0 | 0 | 110.2 | D34 | D34-Y36 VanDerWaalsContact C-N 3.27Å; D34-Y36 HydrophobicContact CB-CD2 3.94Å; D34-Y36 HydrophobicContact CB-CE2 3.9Å; D34-Y36 PolarHBondContact O-N 3.27Å | ||
| 37 | T | 58.7 | Low | 55.5 | Low | 70 Ų | 70 | 118 Ų | 118 | 43% | 0.429 | 63% | 0.626 | S | S | . | * | trans | -104.9 | 72.6 | 162 | 37.7 | 0 | 0 | 0 | 0 | 108.9 | S35 W45 | S35-T37 VanDerWaalsContact C-N 3.34Å; S35-T37 PolarHBondContact O-N 2.99Å; T37-W45 HydrophobicContact CG2-CD2 3.81Å; T37-W45 HydrophobicContact CG2-CE3 4.09Å; T37-W45 HydrophobicContact CG2-CG 4.45Å; T37-W45 HydrophobicContact CG2-CH2 3.85Å; T37-W45 HydrophobicContact CG2-CZ2 3.53Å; T37-W45 HydrophobicContact CG2-CZ3 4.12Å | ||
| 38 | E | 61.1 | Low | 57 | Low | 171 Ų | 171 | 120.1 Ų | 120.1 | 80% | 0.799 | 63% | 0.631 | S | S | * | * | trans | -115.8 | 111.1 | 163.7 | -82.3 | -174.6 | 159.8 | 0 | 0 | 108.4 | ||||
| 39 | C | 67.8 | Low | 59.1 | Low | 29 Ų | 29 | 113.7 Ų | 113.7 | 20% | 0.196 | 61% | 0.607 | C | S | . | * | P | Polyproline II helix | trans | -76.3 | 145.2 | 166.6 | -63.3 | 0 | 0 | 0 | 0 | 109 | Y43 C52 | C39-Y43 WeakPolarHBondContact CB-O 3.37Å; C39-C52 VanDerWaalsContact CA-SG 3.5Å; C39-C52 HydrophobicContact CB-CB 3.81Å; C39-C52 WeakPolarHBondContact CB-SG 3.39Å; C39-C52 VanDerWaalsContact SG-CA 3.56Å; C39-C52 WeakPolarHBondContact SG-CB 3.04Å; C39-C52 CovalentContact SG-SG 2.03Å; C39-C52 PolarHBondContact SG-SG 3.38Å |
| 40 | T | 68 | Low | 61.1 | Low | 104 Ų | 104 | 113.3 Ų | 113.3 | 64% | 0.638 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 150.1 | 172.6 | 46.2 | 0 | 0 | 0 | 0 | 111.1 | G42 Y43 | T40-G42 PolarHBondContact O-N 2.98Å; T40-Y43 PolarHBondContact O-N 3.16Å; T40-Y43 VanDerWaalsContact O-N 3.08Å |
| 41 | D | 69.6 | Low | 63.3 | Low | 162 Ų | 162 | 114.1 Ų | 114.1 | 87% | 0.866 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46.8 | 132.6 | 177.7 | -66.6 | -26.7 | 0 | 0 | 0 | 111.9 | ||
| 42 | G | 66.4 | Low | 64.9 | Low | 20 Ų | 20 | 106.5 Ų | 106.5 | 21% | 0.206 | 56% | 0.559 | C | S | . | * | T | Hydrogen-bonded Turn | trans | 95.2 | -2.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | T40 V55 E57 | T40-G42 PolarHBondContact O-N 2.98Å; G42-V55 PolarHBondContact O-N 3.28Å; G42-E57 WeakPolarHBondContact CA-OE1 3.48Å |
| 43 | Y | 78 | Confident | 66.9 | Low | 74 Ų | 74 | 104.6 Ų | 104.6 | 29% | 0.29 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 141.8 | 176.5 | -61.7 | -97 | 0 | 0 | 0 | 112.2 | C39 T40 R53 D54 G76 | C39-Y43 WeakPolarHBondContact CB-O 3.37Å; T40-Y43 PolarHBondContact O-N 3.16Å; T40-Y43 VanDerWaalsContact O-N 3.08Å; Y43-R53 CarbonylContact C-O 3.56Å; Y43-R53 WeakPolarHBondContact CA-O 2.93Å; Y43-D54 HydrophobicContact CD1-CB 4.22Å; Y43-D54 HydrophobicContact CE1-CB 4Å; Y43-G76 WeakPolarHBondContact OH-CA 3.31Å; Y43-G76 PolarHBondContact OH-N 3.5Å; Y43-G76 VanDerWaalsContact OH-N 3.09Å |
| 44 | E | 81.4 | Confident | 69.1 | Low | 138 Ų | 138 | 100.6 Ų | 100.6 | 65% | 0.645 | 52% | 0.516 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 140.2 | 178.2 | -176.2 | 172.7 | -158.9 | 0 | 0 | 110.2 | D46 R53 V55 | E44-D46 PolarHBondContact O-N 2.9Å; E44-R53 PolarHBondContact N-O 3.27Å; E44-R53 PolarHBondContact O-N 2.86Å; E44-V55 HydrophobicContact CB-CG2 3.47Å; E44-V55 VanDerWaalsContact CB-CG2 3.47Å |
| 45 | W | 80.9 | Confident | 71.3 | Confident | 100 Ų | 100 | 95.8 Ų | 95.8 | 38% | 0.379 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 120.5 | -179.9 | -179.1 | -100.2 | 0 | 0 | 0 | 110.6 | T37 P47 Q50 | T37-W45 HydrophobicContact CG2-CD2 3.81Å; T37-W45 HydrophobicContact CG2-CE3 4.09Å; T37-W45 HydrophobicContact CG2-CG 4.45Å; T37-W45 HydrophobicContact CG2-CH2 3.85Å; T37-W45 HydrophobicContact CG2-CZ2 3.53Å; T37-W45 HydrophobicContact CG2-CZ3 4.12Å; W45-P47 WeakPolarHBondContact O-CD 3.26Å; W45-Q50 HydrophobicContact CH2-CB 4.21Å; W45-Q50 WeakPolarHBondContact CH2-O 3.31Å; W45-Q50 HydrophobicContact CZ2-CB 4.01Å; W45-Q50 HydrophobicContact CZ2-CG 4.48Å |
| 46 | D | 79.3 | Confident | 73.1 | Confident | 29 Ų | 29 | 93.9 Ų | 93.9 | 16% | 0.155 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 110.4 | 173.6 | -179.6 | -60.9 | 0 | 0 | 0 | 109.5 | E44 D48 S49 Q50 H51 R53 | E44-D46 PolarHBondContact O-N 2.9Å; D46-D48 VanDerWaalsContact C-N 3.29Å; D46-D48 PolarHBondContact O-N 2.02Å; D46-D48 PolarHBondContact OD1-N 3.23Å; D46-D48 VanDerWaalsContact OD1-N 3.09Å; D46-S49 WeakPolarHBondContact CB-OG 3.48Å; D46-S49 PolarHBondContact O-N 3.12Å; D46-S49 PolarHBondContact OD1-N 3.32Å; D46-S49 PolarHBondContact OD1-OG 2.86Å; D46-Q50 PolarHBondContact O-N 3.17Å; D46-H51 PolarHBondContact N-O 3.36Å; D46-H51 VanDerWaalsContact N-O 3.16Å; D46-R53 HydrophobicContact CB-CG 3.96Å; D46-R53 IonicContact OD1-NH2 3.11Å; D46-R53 WeakPolarHBondContact OD2-CD 3.43Å; D46-R53 IonicContact OD2-CZ 2.7Å; D46-R53 IonicContact OD2-NE 2.71Å; D46-R53 PolarHBondContact OD2-NE 2.93Å; D46-R53 VanDerWaalsContact OD2-NE 3.11Å; D46-R53 IonicContact OD2-NH1 3.2Å; D46-R53 PolarHBondContact OD2-NH1 2.77Å; D46-R53 IonicContact OD2-NH2 2.96Å; D46-R53 PolarHBondContact OD2-NH2 3.46Å; D46-R53 VanDerWaalsContact OD2-NH2 3.15Å |
| 47 | P | 71 | Confident | 74.8 | Confident | 94 Ų | 94 | 85.7 Ų | 85.7 | 61% | 0.61 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -20.8 | -173.8 | 26.4 | -32.8 | 0 | 0 | 0 | 113.8 | W45 | W45-P47 WeakPolarHBondContact O-CD 3.26Š|
| 48 | D | 75.3 | Confident | 75.9 | Confident | 158 Ų | 158 | 84.1 Ų | 84.1 | 85% | 0.845 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -31.2 | 179.3 | -67.1 | -41.8 | 0 | 0 | 0 | 111.8 | D46 | D46-D48 VanDerWaalsContact C-N 3.29Å; D46-D48 PolarHBondContact O-N 2.02Å; D46-D48 PolarHBondContact OD1-N 3.23Å; D46-D48 VanDerWaalsContact OD1-N 3.09Å |
| 49 | S | 74.8 | Confident | 76.8 | Confident | 52 Ų | 52 | 82.9 Ų | 82.9 | 36% | 0.364 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -5.6 | 179.4 | 53.4 | 0 | 0 | 0 | 0 | 115 | D46 H51 R53 | D46-S49 WeakPolarHBondContact CB-OG 3.48Å; D46-S49 PolarHBondContact O-N 3.12Å; D46-S49 PolarHBondContact OD1-N 3.32Å; D46-S49 PolarHBondContact OD1-OG 2.86Å; S49-H51 PolarHBondContact O-N 2.84Å; S49-R53 PolarHBondContact OG-NE 3.45Å; S49-R53 PolarHBondContact OG-NH2 3.11Å |
| 50 | Q | 75 | Confident | 77.2 | Confident | 152 Ų | 152 | 85.8 Ų | 85.8 | 71% | 0.71 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 37.2 | -179 | -59.7 | -173.9 | -4.1 | 0 | 0 | 113.1 | W45 D46 | W45-Q50 HydrophobicContact CH2-CB 4.21Å; W45-Q50 WeakPolarHBondContact CH2-O 3.31Å; W45-Q50 HydrophobicContact CZ2-CB 4.01Å; W45-Q50 HydrophobicContact CZ2-CG 4.48Å; D46-Q50 PolarHBondContact O-N 3.17Å |
| 51 | H | 77.8 | Confident | 77.6 | Confident | 131 Ų | 131 | 84.3 Ų | 84.3 | 61% | 0.606 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 152.6 | 177.9 | -161.7 | 64.2 | 0 | 0 | 0 | 111.1 | D46 S49 | D46-H51 PolarHBondContact N-O 3.36Å; D46-H51 VanDerWaalsContact N-O 3.16Å; S49-H51 PolarHBondContact O-N 2.84Å |
| 52 | C | 77.9 | Confident | 77.1 | Confident | 35 Ų | 35 | 82.4 Ų | 82.4 | 24% | 0.236 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 124.2 | 175 | -63 | 0 | 0 | 0 | 0 | 109.9 | C39 | C39-C52 VanDerWaalsContact CA-SG 3.5Å; C39-C52 HydrophobicContact CB-CB 3.81Å; C39-C52 WeakPolarHBondContact CB-SG 3.39Å; C39-C52 VanDerWaalsContact SG-CA 3.56Å; C39-C52 WeakPolarHBondContact SG-CB 3.04Å; C39-C52 CovalentContact SG-SG 2.03Å; C39-C52 PolarHBondContact SG-SG 3.38Å |
| 53 | R | 81.8 | Confident | 77.3 | Confident | 131 Ų | 131 | 89.7 Ų | 89.7 | 49% | 0.494 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 143.3 | 176.9 | -67.4 | -170.2 | -178.8 | 177.7 | 10.2 | 110.5 | Y43 E44 D46 S49 V55 | Y43-R53 CarbonylContact C-O 3.56Å; Y43-R53 WeakPolarHBondContact CA-O 2.93Å; E44-R53 PolarHBondContact N-O 3.27Å; E44-R53 PolarHBondContact O-N 2.86Å; D46-R53 HydrophobicContact CB-CG 3.96Å; D46-R53 IonicContact OD1-NH2 3.11Å; D46-R53 WeakPolarHBondContact OD2-CD 3.43Å; D46-R53 IonicContact OD2-CZ 2.7Å; D46-R53 IonicContact OD2-NE 2.71Å; D46-R53 PolarHBondContact OD2-NE 2.93Å; D46-R53 VanDerWaalsContact OD2-NE 3.11Å; D46-R53 IonicContact OD2-NH1 3.2Å; D46-R53 PolarHBondContact OD2-NH1 2.77Å; D46-R53 IonicContact OD2-NH2 2.96Å; D46-R53 PolarHBondContact OD2-NH2 3.46Å; D46-R53 VanDerWaalsContact OD2-NH2 3.15Å; S49-R53 PolarHBondContact OG-NE 3.45Å; S49-R53 PolarHBondContact OG-NH2 3.11Å; R53-V55 PolarHBondContact O-N 2.8Å |
| 54 | D | 80.1 | Confident | 77 | Confident | 42 Ų | 42 | 86.9 Ų | 86.9 | 23% | 0.225 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 128.1 | 177.1 | -175.5 | 68 | 0 | 0 | 0 | 110.9 | Y43 N73 H74 Y75 G76 | Y43-D54 HydrophobicContact CD1-CB 4.22Å; Y43-D54 HydrophobicContact CE1-CB 4Å; D54-N73 PolarHBondContact OD2-ND2 3.29Å; D54-H74 VanDerWaalsContact OD1-O 3.14Å; D54-Y75 HydrophobicContact CB-CD1 4.14Å; D54-Y75 VanDerWaalsContact OD1-CA 3.29Å; D54-Y75 WeakPolarHBondContact OD1-CA 3.35Å; D54-G76 PolarHBondContact OD1-N 2.74Å |
| 55 | V | 81.1 | Confident | 76.8 | Confident | 32 Ų | 32 | 81.1 Ų | 81.1 | 19% | 0.194 | 43% | 0.428 | C | S | . | . | trans | -88 | 129.2 | 177.3 | 175.6 | 0 | 0 | 0 | 0 | 108.4 | G42 E44 R53 E57 T60 | G42-V55 PolarHBondContact O-N 3.28Å; E44-V55 HydrophobicContact CB-CG2 3.47Å; E44-V55 VanDerWaalsContact CB-CG2 3.47Å; R53-V55 PolarHBondContact O-N 2.8Å; V55-E57 HydrophobicContact CG1-CG 4.49Å; V55-E57 PolarHBondContact O-N 2.03Å; V55-E57 VanDerWaalsContact O-N 3.11Å; V55-T60 HydrophobicContact CG1-CG2 4.25Å | ||
| 56 | N | 80.5 | Confident | 76.3 | Confident | 59 Ų | 59 | 85.3 Ų | 85.3 | 32% | 0.316 | 45% | 0.449 | S | S | . | . | trans | -82 | 92.9 | 176.9 | -172.3 | -21.1 | 0 | 0 | 0 | 111.9 | C58 L59 T60 N73 | N56-C58 PolarHBondContact O-N 2.95Å; N56-C58 WeakPolarHBondContact OD1-CB 3.45Å; N56-C58 PolarHBondContact OD1-N 3.49Å; N56-L59 PolarHBondContact O-N 2.91Å; N56-L59 VanDerWaalsContact O-N 3.13Å; N56-T60 PolarHBondContact O-N 2.82Å; N56-N73 VanDerWaalsContact CA-OD1 3.31Å; N56-N73 WeakPolarHBondContact CA-OD1 3.04Å | ||
| 57 | E | 84.8 | Confident | 75.9 | Confident | 16 Ų | 16 | 87.4 Ų | 87.4 | 8% | 0.075 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -70.9 | -18 | -173.6 | -57.1 | 88.5 | 171.7 | 0 | 0 | 114.1 | G42 V55 L59 T60 I61 G77 Y78 | G42-E57 WeakPolarHBondContact CA-OE1 3.48Å; V55-E57 HydrophobicContact CG1-CG 4.49Å; V55-E57 PolarHBondContact O-N 2.03Å; V55-E57 VanDerWaalsContact O-N 3.11Å; E57-L59 PolarHBondContact O-N 3.46Å; E57-T60 WeakPolarHBondContact CA-OG1 3.48Å; E57-T60 PolarHBondContact O-N 2.85Å; E57-I61 HydrophobicContact CB-CD1 3.89Å; E57-I61 HydrophobicContact CB-CG1 4.2Å; E57-I61 HydrophobicContact CG-CD1 4.28Å; E57-I61 WeakPolarHBondContact O-CB 3.4Å; E57-I61 PolarHBondContact O-N 2.95Å; E57-G77 WeakPolarHBondContact OE1-CA 3.32Å; E57-G77 WeakPolarHBondContact OE2-CA 3.14Å; E57-Y78 HydrophobicContact CB-CD1 3.46Å; E57-Y78 VanDerWaalsContact CB-CD1 3.46Å; E57-Y78 HydrophobicContact CB-CE1 4.11Å; E57-Y78 HydrophobicContact CB-CG 4.16Å; E57-Y78 HydrophobicContact CG-CD1 4.08Å; E57-Y78 PolarHBondContact OE2-N 2.78Å |
| 58 | C | 80.8 | Confident | 75.7 | Confident | 38 Ų | 38 | 90 Ų | 90 | 26% | 0.257 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.9 | -17.8 | 173.3 | -61.7 | 0 | 0 | 0 | 0 | 113 | N56 C71 I72 | N56-C58 PolarHBondContact O-N 2.95Å; N56-C58 WeakPolarHBondContact OD1-CB 3.45Å; N56-C58 PolarHBondContact OD1-N 3.49Å; C58-C71 WeakPolarHBondContact CA-SG 3.47Å; C58-C71 HydrophobicContact CB-CB 3.88Å; C58-C71 WeakPolarHBondContact CB-SG 3.1Å; C58-C71 WeakPolarHBondContact SG-CB 3.41Å; C58-C71 CovalentContact SG-SG 2.04Å; C58-C71 PolarHBondContact SG-SG 3.45Å; C58-I72 VanDerWaalsContact SG-C 3.55Å; C58-I72 PolarHBondContact SG-N 2.74Å |
| 59 | L | 80 | Confident | 75.7 | Confident | 144 Ų | 144 | 85.6 Ų | 85.6 | 75% | 0.754 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -102.8 | -30.3 | 176.4 | -63 | 177.6 | 0 | 0 | 0 | 112.6 | N56 E57 | N56-L59 PolarHBondContact O-N 2.91Å; N56-L59 VanDerWaalsContact O-N 3.13Å; E57-L59 PolarHBondContact O-N 3.46Å |
| 60 | T | 76.8 | Confident | 76 | Confident | 91 Ų | 91 | 89.7 Ų | 89.7 | 56% | 0.558 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -91.4 | -22.8 | -174.4 | 62 | 0 | 0 | 0 | 0 | 113.2 | V55 N56 E57 | V55-T60 HydrophobicContact CG1-CG2 4.25Å; N56-T60 PolarHBondContact O-N 2.82Å; E57-T60 WeakPolarHBondContact CA-OG1 3.48Å; E57-T60 PolarHBondContact O-N 2.85Å |
| 61 | I | 75.7 | Confident | 76.3 | Confident | 72 Ų | 72 | 84.1 Ų | 84.1 | 37% | 0.369 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -106.4 | 112.4 | 177.9 | -53.2 | -179.2 | 0 | 0 | 0 | 110.3 | E57 E63 A64 Y78 | E57-I61 HydrophobicContact CB-CD1 3.89Å; E57-I61 HydrophobicContact CB-CG1 4.2Å; E57-I61 HydrophobicContact CG-CD1 4.28Å; E57-I61 WeakPolarHBondContact O-CB 3.4Å; E57-I61 PolarHBondContact O-N 2.95Å; I61-E63 PolarHBondContact O-N 2.78Å; I61-A64 HydrophobicContact CB-CB 4.13Å; I61-A64 HydrophobicContact CG2-CB 4.32Å; I61-A64 PolarHBondContact O-N 3.29Å; I61-Y78 HydrophobicContact CD1-CE1 4.05Å |
| 62 | P | 60.1 | Low | 76.5 | Confident | 122 Ų | 122 | 81.6 Ų | 81.6 | 79% | 0.792 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 124.9 | 175.2 | 1.3 | 6.2 | 0 | 0 | 0 | 110.4 | ||
| 63 | E | 70.4 | Confident | 76.6 | Confident | 173 Ų | 173 | 82.7 Ų | 82.7 | 81% | 0.808 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 45.9 | -173.3 | -56.4 | -151.2 | 147.3 | 0 | 0 | 114.4 | I61 C65 | I61-E63 PolarHBondContact O-N 2.78Å; E63-C65 PolarHBondContact O-N 3.28Å |
| 64 | A | 71.1 | Confident | 76.6 | Confident | 16 Ų | 16 | 81.8 Ų | 81.8 | 13% | 0.132 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -44.7 | -35.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | I61 Y78 | I61-A64 HydrophobicContact CB-CB 4.13Å; I61-A64 HydrophobicContact CG2-CB 4.32Å; I61-A64 PolarHBondContact O-N 3.29Å; A64-Y78 HydrophobicContact CB-CD2 3.99Å; A64-Y78 HydrophobicContact CB-CE2 3.72Å; A64-Y78 WeakPolarHBondContact O-CE2 3.5Å; A64-Y78 PolarHBondContact O-OH 2.75Å |
| 65 | C | 77.6 | Confident | 76.5 | Confident | 16 Ų | 16 | 88.6 Ų | 88.6 | 11% | 0.108 | 46% | 0.464 | C | S | . | . | S | Bend | trans | -112.5 | 129.8 | 173.9 | -55.6 | 0 | 0 | 0 | 0 | 111.9 | E63 M69 C71 C80 | E63-C65 PolarHBondContact O-N 3.28Å; C65-M69 HydrophobicContact CB-CB 3.84Å; C65-C71 VanDerWaalsContact SG-CB 3.58Å; C65-C80 VanDerWaalsContact CA-SG 3.53Å; C65-C80 HydrophobicContact CB-CB 3.75Å; C65-C80 WeakPolarHBondContact CB-SG 3.17Å; C65-C80 WeakPolarHBondContact SG-CA 3.49Å; C65-C80 WeakPolarHBondContact SG-CB 3.29Å; C65-C80 CovalentContact SG-SG 2.02Å; C65-C80 PolarHBondContact SG-SG 2.96Å |
| 66 | K | 69.9 | Low | 76 | Confident | 189 Ų | 189 | 88.7 Ų | 88.7 | 82% | 0.822 | 47% | 0.471 | S | S | * | . | trans | -84.6 | 139.5 | 176.2 | -67.9 | -177.1 | 178 | 177.9 | 0 | 111.9 | M69 | K66-M69 WeakPolarHBondContact O-CG 3.22Š| ||
| 67 | G | 71.4 | Confident | 75.9 | Confident | 72 Ų | 72 | 86.8 Ų | 86.8 | 74% | 0.742 | 47% | 0.465 | S | S | * | . | S | Bend | trans | 84.2 | -156.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | M69 | G67-M69 PolarHBondContact O-N 2.92Š|
| 68 | E | 67.9 | Low | 75.9 | Confident | 149 Ų | 149 | 90.2 Ų | 90.2 | 70% | 0.696 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -81 | 57.7 | 178.2 | -64.1 | -166.3 | 168.5 | 0 | 0 | 111.9 | R83 | E68-R83 HydrophobicContact CB-CB 4.32Å; E68-R83 WeakPolarHBondContact O-CB 3.28Å; E68-R83 PolarHBondContact O-N 2.76Å |
| 69 | M | 75 | Confident | 75.7 | Confident | 66 Ų | 66 | 92.7 Ų | 92.7 | 33% | 0.325 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 137.7 | -177.2 | -55.7 | -73.9 | -74.7 | 0 | 0 | 110.2 | C65 K66 G67 C80 L81 P82 | C65-M69 HydrophobicContact CB-CB 3.84Å; K66-M69 WeakPolarHBondContact O-CG 3.22Å; G67-M69 PolarHBondContact O-N 2.92Å; M69-C80 HydrophobicContact CB-CB 4.32Å; M69-C80 HydrophobicContact CE-CB 4.18Å; M69-C80 VanDerWaalsContact CE-O 3.25Å; M69-C80 WeakPolarHBondContact CE-O 3.38Å; M69-L81 CarbonylContact C-O 3.59Å; M69-L81 VanDerWaalsContact CA-O 3.23Å; M69-L81 WeakPolarHBondContact CA-O 3.34Å; M69-P82 HydrophobicContact CE-CB 4.47Å; M69-P82 WeakPolarHBondContact SD-CA 3.21Å; M69-P82 HydrophobicContact SD-CB 3.63Å; M69-P82 HydrophobicContact SD-CG 4.39Å; M69-P82 VanDerWaalsContact SD-N 3.45Å |
| 70 | K | 80.1 | Confident | 75.7 | Confident | 137 Ų | 137 | 88 Ų | 88 | 60% | 0.596 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 128 | 174.9 | -173.7 | 178.8 | 179.9 | -176.4 | 0 | 109.7 | L81 | K70-L81 PolarHBondContact N-O 3.1Å; K70-L81 PolarHBondContact O-N 3.16Å |
| 71 | C | 81.3 | Confident | 75.5 | Confident | 35 Ų | 35 | 87.3 Ų | 87.3 | 24% | 0.236 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 135.5 | 174.4 | -167.6 | 0 | 0 | 0 | 0 | 110.7 | C58 C65 L79 | C58-C71 WeakPolarHBondContact CA-SG 3.47Å; C58-C71 HydrophobicContact CB-CB 3.88Å; C58-C71 WeakPolarHBondContact CB-SG 3.1Å; C58-C71 WeakPolarHBondContact SG-CB 3.41Å; C58-C71 CovalentContact SG-SG 2.04Å; C58-C71 PolarHBondContact SG-SG 3.45Å; C65-C71 VanDerWaalsContact SG-CB 3.58Å; C71-L79 WeakPolarHBondContact CA-O 3.45Å |
| 72 | I | 82.3 | Confident | 75 | Confident | 79 Ų | 79 | 86.6 Ų | 86.6 | 41% | 0.405 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 129.6 | 173.3 | -53.1 | -179.9 | 0 | 0 | 0 | 107.8 | C58 L79 L81 | C58-I72 VanDerWaalsContact SG-C 3.55Å; C58-I72 PolarHBondContact SG-N 2.74Å; I72-L79 PolarHBondContact N-O 2.83Å; I72-L79 PolarHBondContact O-N 2.55Å; I72-L81 HydrophobicContact CD1-CD1 3.69Å; I72-L81 HydrophobicContact CD1-CG 4.45Å |
| 73 | N | 79.3 | Confident | 75 | Confident | 57 Ų | 57 | 89.6 Ų | 89.6 | 31% | 0.305 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 138.8 | 176.6 | -165.7 | 48.1 | 0 | 0 | 0 | 111.2 | D54 N56 | D54-N73 PolarHBondContact OD2-ND2 3.29Å; N56-N73 VanDerWaalsContact CA-OD1 3.31Å; N56-N73 WeakPolarHBondContact CA-OD1 3.04Å |
| 74 | H | 83 | Confident | 74.3 | Confident | 113 Ų | 113 | 86.2 Ų | 86.2 | 52% | 0.523 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 158.8 | 178.5 | -170.4 | -84.4 | 0 | 0 | 0 | 109.7 | D54 G76 G77 | D54-H74 VanDerWaalsContact OD1-O 3.14Å; H74-G76 PolarHBondContact O-N 2.69Å; H74-G76 VanDerWaalsContact O-N 3.13Å; H74-G77 CarbonylContact C-O 3.53Å; H74-G77 VanDerWaalsContact CA-O 3.27Å; H74-G77 WeakPolarHBondContact CA-O 3.02Å; H74-G77 WeakPolarHBondContact CB-O 3.44Å; H74-G77 PolarHBondContact N-O 2.77Å; H74-G77 PolarHBondContact O-N 3.06Å |
| 75 | Y | 76.8 | Confident | 73.3 | Confident | 185 Ų | 185 | 89.1 Ų | 89.1 | 73% | 0.725 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | 119.6 | 177 | -72.1 | -76.3 | 0 | 0 | 0 | 110.8 | D54 | D54-Y75 HydrophobicContact CB-CD1 4.14Å; D54-Y75 VanDerWaalsContact OD1-CA 3.29Å; D54-Y75 WeakPolarHBondContact OD1-CA 3.35Å |
| 76 | G | 70.6 | Confident | 71.6 | Confident | 33 Ų | 33 | 92.1 Ų | 92.1 | 34% | 0.34 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80 | 17.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115 | Y43 D54 H74 | Y43-G76 WeakPolarHBondContact OH-CA 3.31Å; Y43-G76 PolarHBondContact OH-N 3.5Å; Y43-G76 VanDerWaalsContact OH-N 3.09Å; D54-G76 PolarHBondContact OD1-N 2.74Å; H74-G76 PolarHBondContact O-N 2.69Å; H74-G76 VanDerWaalsContact O-N 3.13Å |
| 77 | G | 79.8 | Confident | 70.4 | Confident | 19 Ų | 19 | 89.2 Ų | 89.2 | 20% | 0.196 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 159.6 | -168.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | E57 H74 | E57-G77 WeakPolarHBondContact OE1-CA 3.32Å; E57-G77 WeakPolarHBondContact OE2-CA 3.14Å; H74-G77 CarbonylContact C-O 3.53Å; H74-G77 VanDerWaalsContact CA-O 3.27Å; H74-G77 WeakPolarHBondContact CA-O 3.02Å; H74-G77 WeakPolarHBondContact CB-O 3.44Å; H74-G77 PolarHBondContact N-O 2.77Å; H74-G77 PolarHBondContact O-N 3.06Å |
| 78 | Y | 83.4 | Confident | 68.6 | Low | 89 Ų | 89 | 93.5 Ų | 93.5 | 35% | 0.349 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 150.2 | 179.6 | 65 | -79.9 | 0 | 0 | 0 | 112.4 | E57 I61 A64 C80 | E57-Y78 HydrophobicContact CB-CD1 3.46Å; E57-Y78 VanDerWaalsContact CB-CD1 3.46Å; E57-Y78 HydrophobicContact CB-CE1 4.11Å; E57-Y78 HydrophobicContact CB-CG 4.16Å; E57-Y78 HydrophobicContact CG-CD1 4.08Å; E57-Y78 PolarHBondContact OE2-N 2.78Å; I61-Y78 HydrophobicContact CD1-CE1 4.05Å; A64-Y78 HydrophobicContact CB-CD2 3.99Å; A64-Y78 HydrophobicContact CB-CE2 3.72Å; A64-Y78 WeakPolarHBondContact O-CE2 3.5Å; A64-Y78 PolarHBondContact O-OH 2.75Å; Y78-C80 VanDerWaalsContact CE2-SG 3.59Å |
| 79 | L | 77.3 | Confident | 67.4 | Low | 89 Ų | 89 | 92.6 Ų | 92.6 | 47% | 0.466 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 134.7 | 176.6 | -140.2 | 83.7 | 0 | 0 | 0 | 110.7 | C71 I72 L81 | C71-L79 WeakPolarHBondContact CA-O 3.45Å; I72-L79 PolarHBondContact N-O 2.83Å; I72-L79 PolarHBondContact O-N 2.55Å; L79-L81 HydrophobicContact CD2-CD2 4.02Å; L79-L81 HydrophobicContact CD2-CG 4.3Å |
| 80 | C | 80.4 | Confident | 65.5 | Low | 45 Ų | 45 | 96.2 Ų | 96.2 | 30% | 0.304 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 117.5 | 175 | -63.1 | 0 | 0 | 0 | 0 | 110.5 | C65 M69 Y78 | C65-C80 VanDerWaalsContact CA-SG 3.53Å; C65-C80 HydrophobicContact CB-CB 3.75Å; C65-C80 WeakPolarHBondContact CB-SG 3.17Å; C65-C80 WeakPolarHBondContact SG-CA 3.49Å; C65-C80 WeakPolarHBondContact SG-CB 3.29Å; C65-C80 CovalentContact SG-SG 2.02Å; C65-C80 PolarHBondContact SG-SG 2.96Å; M69-C80 HydrophobicContact CB-CB 4.32Å; M69-C80 HydrophobicContact CE-CB 4.18Å; M69-C80 VanDerWaalsContact CE-O 3.25Å; M69-C80 WeakPolarHBondContact CE-O 3.38Å; Y78-C80 VanDerWaalsContact CE2-SG 3.59Å |
| 81 | L | 71.8 | Confident | 63.3 | Low | 77 Ų | 77 | 97.3 Ų | 97.3 | 40% | 0.403 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 143.6 | 177.6 | -63.9 | 179.6 | 0 | 0 | 0 | 111.3 | M69 K70 I72 L79 | M69-L81 CarbonylContact C-O 3.59Å; M69-L81 VanDerWaalsContact CA-O 3.23Å; M69-L81 WeakPolarHBondContact CA-O 3.34Å; K70-L81 PolarHBondContact N-O 3.1Å; K70-L81 PolarHBondContact O-N 3.16Å; I72-L81 HydrophobicContact CD1-CD1 3.69Å; I72-L81 HydrophobicContact CD1-CG 4.45Å; L79-L81 HydrophobicContact CD2-CD2 4.02Å; L79-L81 HydrophobicContact CD2-CG 4.3Å |
| 82 | P | 65.6 | Low | 61.4 | Low | 58 Ų | 58 | 105.3 Ų | 105.3 | 38% | 0.377 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -64.4 | 136.9 | -178.5 | 24.6 | -31.3 | 0 | 0 | 0 | 112.5 | M69 S84 A85 | M69-P82 HydrophobicContact CE-CB 4.47Å; M69-P82 WeakPolarHBondContact SD-CA 3.21Å; M69-P82 HydrophobicContact SD-CB 3.63Å; M69-P82 HydrophobicContact SD-CG 4.39Å; M69-P82 VanDerWaalsContact SD-N 3.45Å; P82-S84 PolarHBondContact O-N 3.09Å; P82-S84 VanDerWaalsContact O-N 3.11Å; P82-A85 PolarHBondContact O-N 2.85Å |
| 83 | R | 60.8 | Low | 59 | Low | 184 Ų | 184 | 105 Ų | 105 | 69% | 0.694 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | -16.6 | 174.7 | -83.2 | -174 | 164.9 | 164.4 | -1.5 | 112.9 | E68 A85 | E68-R83 HydrophobicContact CB-CB 4.32Å; E68-R83 WeakPolarHBondContact O-CB 3.28Å; E68-R83 PolarHBondContact O-N 2.76Å; R83-A85 PolarHBondContact O-N 2.89Å |
| 84 | S | 55.5 | Low | 57.3 | Low | 102 Ų | 102 | 112.2 Ų | 112.2 | 71% | 0.713 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | 4.4 | 173.7 | 54.2 | 0 | 0 | 0 | 0 | 114.6 | P82 A86 | P82-S84 PolarHBondContact O-N 3.09Å; P82-S84 VanDerWaalsContact O-N 3.11Å; S84-A86 PolarHBondContact O-N 2.87Å |
| 85 | A | 50 | Low | 55 | Low | 78 Ų | 78 | 110.1 Ų | 110.1 | 65% | 0.645 | 63% | 0.625 | S | S | * | * | trans | -77.9 | 69.5 | 156.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | P82 R83 V87 | P82-A85 PolarHBondContact O-N 2.85Å; R83-A85 PolarHBondContact O-N 2.89Å; A85-V87 PolarHBondContact O-N 3.15Å | ||
| 86 | A | 42.3 | Very low | 53.4 | Low | 78 Ų | 78 | 107.1 Ų | 107.1 | 65% | 0.645 | 63% | 0.629 | S | S | * | * | trans | -71.1 | 107.9 | 161 | 0 | 0 | 0 | 0 | 0 | 107.8 | S84 I88 | S84-A86 PolarHBondContact O-N 2.87Å; A86-I88 PolarHBondContact O-N 3.35Å | ||
| 87 | V | 43.1 | Very low | 52.6 | Low | 129 Ų | 129 | 111.5 Ų | 111.5 | 78% | 0.782 | 65% | 0.651 | S | S | * | * | trans | -48.1 | 119.6 | 140.4 | 172.4 | 0 | 0 | 0 | 0 | 105.9 | A85 N89 | A85-V87 PolarHBondContact O-N 3.15Å; V87-N89 PolarHBondContact O-N 2.69Å | ||
| 88 | I | 35.4 | Very low | 50.6 | Low | 161 Ų | 161 | 116.2 Ų | 116.2 | 83% | 0.826 | 68% | 0.678 | S | S | * | * | trans | -62 | 108.7 | 178.8 | -58.1 | 179.7 | 0 | 0 | 0 | 107.5 | A86 | A86-I88 PolarHBondContact O-N 3.35Š| ||
| 89 | N | 41.7 | Very low | 48.7 | Very low | 130 Ų | 130 | 117.7 Ų | 117.7 | 70% | 0.695 | 70% | 0.699 | S | S | * | * | trans | -109.9 | 131.4 | 156.8 | -99.1 | 0.9 | 0 | 0 | 0 | 106.6 | V87 | V87-N89 PolarHBondContact O-N 2.69Š| ||
| 90 | D | 34.4 | Very low | 47.4 | Very low | 142 Ų | 142 | 120 Ų | 120 | 76% | 0.759 | 72% | 0.716 | S | S | * | * | 177.3 | 150.6 | 114.2 | -94.2 | -27.2 | 0 | 0 | 0 | 114.3 | |||||
| 91 | L | 35.2 | Very low | 45.6 | Very low | 161 Ų | 161 | 123 Ų | 123 | 84% | 0.843 | 74% | 0.736 | S | S | * | * | trans | 90.7 | 90.4 | 151.1 | -67.3 | 143.6 | 0 | 0 | 0 | 119.6 | ||||
| 92 | H | 41.3 | Very low | 44.3 | Very low | 202 Ų | 202 | 125 Ų | 125 | 94% | 0.935 | 75% | 0.753 | S | S | * | * | trans | -64.9 | 123.8 | 140.8 | -81.8 | -73.8 | 0 | 0 | 0 | 110.4 | ||||
| 93 | G | 32.5 | Very low | 43.5 | Very low | 74 Ų | 74 | 126.3 Ų | 126.3 | 76% | 0.763 | 77% | 0.768 | S | S | * | * | trans | -164.8 | 115.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 94 | E | 42.9 | Very low | 42.6 | Very low | 208 Ų | 208 | 125.6 Ų | 125.6 | 97% | 0.972 | 77% | 0.773 | S | S | * | * | trans | -68.4 | 146.2 | -177.4 | -63.5 | -162 | 133.9 | 0 | 0 | 113.6 | ||||
| 95 | G | 35.1 | Very low | 42 | Very low | 68 Ų | 68 | 128.4 Ų | 128.4 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | trans | -163.4 | 148.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 96 | P | 42.4 | Very low | 42.2 | Very low | 122 Ų | 122 | 130.2 Ų | 130.2 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | trans | -85 | 166 | -147.3 | 34.8 | -36.6 | 0 | 0 | 0 | 115.4 | ||||
| 97 | P | 53.6 | Low | 43.4 | Very low | 126 Ų | 126 | 133.8 Ų | 133.8 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -90.6 | 151.7 | -167 | 36.3 | -33.2 | 0 | 0 | 0 | 113.3 | ||||
| 98 | P | 38.7 | Very low | 44.7 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | trans | -135.4 | 172.7 | 150 | 43.6 | -29.4 | 0 | 0 | 0 | 111.4 | ||||
| 99 | P | 43.1 | Very low | 46.4 | Very low | 120 Ų | 120 | 126.4 Ų | 126.4 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | -94.8 | 158.1 | -111.2 | 25.3 | -5.5 | 0 | 0 | 0 | 114 | P101 | P99-P101 WeakPolarHBondContact O-CD 3.46Š| |||
| 100 | V | 48.8 | Very low | 48.3 | Very low | 137 Ų | 137 | 124 Ų | 124 | 83% | 0.83 | 75% | 0.745 | S | S | * | * | trans | -64.5 | 133 | 168.1 | 178.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 101 | P | 42.9 | Very low | 50.5 | Low | 109 Ų | 109 | 123.1 Ų | 123.1 | 71% | 0.708 | 75% | 0.747 | S | S | * | * | trans | -106.4 | 156.3 | 145.8 | 24.9 | -7.6 | 0 | 0 | 0 | 110.6 | P99 | P99-P101 WeakPolarHBondContact O-CD 3.46Š| ||
| 102 | P | 45.5 | Very low | 52.6 | Low | 117 Ų | 117 | 116.6 Ų | 116.6 | 76% | 0.76 | 72% | 0.719 | S | S | * | * | trans | -82.7 | 154.8 | -152.1 | 32.5 | -34.1 | 0 | 0 | 0 | 113.4 | ||||
| 103 | A | 48.8 | Very low | 54.7 | Low | 86 Ų | 86 | 110.4 Ų | 110.4 | 71% | 0.711 | 69% | 0.688 | S | S | * | * | trans | -46.5 | 144.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 104 | Q | 40.8 | Very low | 57.2 | Low | 169 Ų | 169 | 110.7 Ų | 110.7 | 79% | 0.79 | 67% | 0.669 | S | S | * | * | trans | -177.2 | 130.5 | 133.7 | -103.9 | 162.2 | 44.3 | 0 | 0 | 114.3 | ||||
| 105 | H | 42.8 | Very low | 59 | Low | 162 Ų | 162 | 104.6 Ų | 104.6 | 75% | 0.75 | 65% | 0.648 | S | S | * | * | trans | 92.3 | 145 | 152 | -65.3 | -53.9 | 0 | 0 | 0 | 119.5 | ||||
| 106 | P | 55.5 | Low | 61.1 | Low | 116 Ų | 116 | 105 Ų | 105 | 75% | 0.753 | 63% | 0.634 | S | S | * | * | -97.6 | 161.4 | -116.4 | 37 | -32.9 | 0 | 0 | 0 | 113.6 | |||||
| 107 | N | 66.3 | Low | 62.7 | Low | 153 Ų | 153 | 107 Ų | 107 | 82% | 0.818 | 64% | 0.638 | S | S | * | * | trans | -25.2 | 140.7 | -176.3 | -66.4 | -9.3 | 0 | 0 | 0 | 116.1 | ||||
| 108 | P | 70.6 | Confident | 63.9 | Low | 115 Ų | 115 | 108.9 Ų | 108.9 | 75% | 0.747 | 64% | 0.636 | S | S | * | * | -128.1 | 165.7 | 105.6 | 24.5 | -8.1 | 0 | 0 | 0 | 111.6 | |||||
| 109 | C | 71.3 | Confident | 65.4 | Low | 20 Ų | 20 | 111.8 Ų | 111.8 | 14% | 0.135 | 64% | 0.639 | C | S | . | * | P | Polyproline II helix | trans | -46 | 157.4 | 175.8 | -68 | 0 | 0 | 0 | 0 | 113.6 | Y113 C121 | C109-Y113 WeakPolarHBondContact CB-O 3.46Å; C109-C121 WeakPolarHBondContact CA-SG 3.45Å; C109-C121 HydrophobicContact CB-CB 3.63Å; C109-C121 WeakPolarHBondContact CB-SG 3.38Å; C109-C121 WeakPolarHBondContact SG-CA 3.33Å; C109-C121 WeakPolarHBondContact SG-CB 3.43Å; C109-C121 CovalentContact SG-SG 2.03Å; C109-C121 PolarHBondContact SG-SG 3.11Å |
| 110 | P | 81.4 | Confident | 67.1 | Low | 78 Ų | 78 | 109.3 Ų | 109.3 | 51% | 0.506 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -51 | 152.3 | 174.2 | -22.7 | 32.3 | 0 | 0 | 0 | 111.6 | G112 Y113 | P110-G112 PolarHBondContact O-N 2.99Å; P110-Y113 HydrophobicContact CB-CD2 4.11Å; P110-Y113 WeakPolarHBondContact O-CB 3.38Å; P110-Y113 PolarHBondContact O-N 2.04Å |
| 111 | P | 80.7 | Confident | 68.8 | Low | 124 Ų | 124 | 105.4 Ų | 105.4 | 81% | 0.805 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.1 | 133.2 | 175.8 | -25.2 | 33.9 | 0 | 0 | 0 | 111.6 | ||
| 112 | G | 79.8 | Confident | 70.9 | Confident | 25 Ų | 25 | 103 Ų | 103 | 26% | 0.258 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 88.8 | 1.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | P110 V124 | P110-G112 PolarHBondContact O-N 2.99Å; G112-V124 WeakPolarHBondContact O-CB 3.26Å; G112-V124 PolarHBondContact O-N 3.04Å |
| 113 | Y | 85.6 | Confident | 73 | Confident | 72 Ų | 72 | 99.6 Ų | 99.6 | 28% | 0.282 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.9 | 143.3 | 177.4 | -66.2 | -103.9 | 0 | 0 | 0 | 111.2 | C109 P110 C121 V122 D123 P144 G145 | C109-Y113 WeakPolarHBondContact CB-O 3.46Å; P110-Y113 HydrophobicContact CB-CD2 4.11Å; P110-Y113 WeakPolarHBondContact O-CB 3.38Å; P110-Y113 PolarHBondContact O-N 2.04Å; Y113-C121 HydrophobicContact CD1-CB 4.36Å; Y113-V122 CarbonylContact C-O 3.4Å; Y113-V122 WeakPolarHBondContact CA-O 3.25Å; Y113-V122 WeakPolarHBondContact CB-O 3.46Å; Y113-D123 HydrophobicContact CD1-CB 4.29Å; Y113-D123 HydrophobicContact CE1-CB 3.99Å; Y113-P144 VanDerWaalsContact OH-C 3.22Å; Y113-P144 WeakPolarHBondContact OH-CB 3.25Å; Y113-G145 PolarHBondContact OH-N 2.84Å |
| 114 | E | 84.5 | Confident | 74.9 | Confident | 79 Ų | 79 | 96.4 Ų | 96.4 | 37% | 0.369 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 145.9 | 174.1 | 65.9 | -175.2 | 160.9 | 0 | 0 | 111.3 | D116 V122 V124 Q129 | E114-D116 PolarHBondContact O-N 2.82Å; E114-V122 HydrophobicContact CG-CG2 4Å; E114-V122 PolarHBondContact N-O 3.49Å; E114-V122 WeakPolarHBondContact O-CG2 3.46Å; E114-V122 PolarHBondContact O-N 2.81Å; E114-V124 HydrophobicContact CB-CG2 3.79Å; E114-V124 HydrophobicContact CG-CG2 3.78Å; E114-Q129 PolarHBondContact OE1-NE2 3.18Å |
| 115 | P | 80.5 | Confident | 77.3 | Confident | 81 Ų | 81 | 91.2 Ų | 91.2 | 53% | 0.526 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 124.5 | 176.2 | 28.4 | -31.2 | 0 | 0 | 0 | 110.7 | S120 | P115-S120 WeakPolarHBondContact CA-O 3.35Å |
| 116 | D | 78.8 | Confident | 79.7 | Confident | 77 Ų | 77 | 84.3 Ų | 84.3 | 41% | 0.412 | 48% | 0.479 | S | S | . | . | trans | -77 | 172.4 | 170.8 | -172.9 | 23.5 | 0 | 0 | 0 | 111.4 | E114 Q118 E119 S120 V122 | E114-D116 PolarHBondContact O-N 2.82Å; D116-Q118 PolarHBondContact O-N 2.92Å; D116-E119 PolarHBondContact O-N 2.86Å; D116-S120 PolarHBondContact N-O 2.84Å; D116-V122 HydrophobicContact CB-CG1 4.05Å; D116-V122 HydrophobicContact CB-CG2 4.19Å | ||
| 117 | D | 76.6 | Confident | 81.4 | Confident | 162 Ų | 162 | 80.4 Ų | 80.4 | 87% | 0.866 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -14.2 | -178.4 | -73.8 | -30 | 0 | 0 | 0 | 114.6 | ||
| 118 | Q | 78.3 | Confident | 82.5 | Confident | 167 Ų | 167 | 76.8 Ų | 76.8 | 78% | 0.78 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.8 | 16 | 177.9 | -60 | 178.9 | 34.9 | 0 | 0 | 113.8 | D116 S120 | D116-Q118 PolarHBondContact O-N 2.92Å; Q118-S120 PolarHBondContact O-N 2.95Å |
| 119 | E | 71.4 | Confident | 83.4 | Confident | 178 Ų | 178 | 75.5 Ų | 75.5 | 83% | 0.832 | 43% | 0.429 | S | S | * | . | S | Bend | trans | 58.2 | 22.2 | -174.9 | -62.2 | -173.2 | 160.2 | 0 | 0 | 114.2 | D116 | D116-E119 PolarHBondContact O-N 2.86Š|
| 120 | S | 78.3 | Confident | 84 | Confident | 69 Ų | 69 | 78.2 Ų | 78.2 | 48% | 0.483 | 45% | 0.453 | S | S | . | . | trans | -92.8 | 139.3 | 172.9 | -178.4 | 0 | 0 | 0 | 0 | 110.5 | P115 D116 Q118 V122 | P115-S120 WeakPolarHBondContact CA-O 3.35Å; D116-S120 PolarHBondContact N-O 2.84Å; Q118-S120 PolarHBondContact O-N 2.95Å; S120-V122 PolarHBondContact O-N 3.46Å | ||
| 121 | C | 84 | Confident | 84.3 | Confident | 55 Ų | 55 | 79.5 Ų | 79.5 | 37% | 0.372 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 113.5 | 178.7 | -60.6 | 0 | 0 | 0 | 0 | 110.8 | C109 Y113 | C109-C121 WeakPolarHBondContact CA-SG 3.45Å; C109-C121 HydrophobicContact CB-CB 3.63Å; C109-C121 WeakPolarHBondContact CB-SG 3.38Å; C109-C121 WeakPolarHBondContact SG-CA 3.33Å; C109-C121 WeakPolarHBondContact SG-CB 3.43Å; C109-C121 CovalentContact SG-SG 2.03Å; C109-C121 PolarHBondContact SG-SG 3.11Å; Y113-C121 HydrophobicContact CD1-CB 4.36Å |
| 122 | V | 87.8 | Confident | 84.6 | Confident | 57 Ų | 57 | 76.3 Ų | 76.3 | 35% | 0.345 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 146.3 | 172.3 | -64 | 0 | 0 | 0 | 0 | 109.6 | Y113 E114 D116 S120 V124 | Y113-V122 CarbonylContact C-O 3.4Å; Y113-V122 WeakPolarHBondContact CA-O 3.25Å; Y113-V122 WeakPolarHBondContact CB-O 3.46Å; E114-V122 HydrophobicContact CG-CG2 4Å; E114-V122 PolarHBondContact N-O 3.49Å; E114-V122 WeakPolarHBondContact O-CG2 3.46Å; E114-V122 PolarHBondContact O-N 2.81Å; D116-V122 HydrophobicContact CB-CG1 4.05Å; D116-V122 HydrophobicContact CB-CG2 4.19Å; S120-V122 PolarHBondContact O-N 3.46Å; V122-V124 PolarHBondContact O-N 3.49Å |
| 123 | D | 89.3 | Confident | 85 | Confident | 46 Ų | 46 | 81.9 Ų | 81.9 | 25% | 0.246 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 131.6 | 177.1 | -178.8 | 55.3 | 0 | 0 | 0 | 110.2 | Y113 D125 N142 P144 G145 | Y113-D123 HydrophobicContact CD1-CB 4.29Å; Y113-D123 HydrophobicContact CE1-CB 3.99Å; D123-D125 PolarHBondContact O-N 3.24Å; D123-N142 PolarHBondContact OD2-ND2 2.84Å; D123-N142 PolarHBondContact OD2-OD1 2.8Å; D123-P144 WeakPolarHBondContact OD1-CA 3.48Å; D123-G145 PolarHBondContact OD1-N 2.93Å |
| 124 | V | 89.8 | Confident | 85 | Confident | 19 Ų | 19 | 79.2 Ų | 79.2 | 12% | 0.115 | 45% | 0.445 | C | S | . | . | trans | -78 | 112.9 | 175.2 | 177.3 | 0 | 0 | 0 | 0 | 107.2 | G112 E114 V122 E126 L131 N142 | G112-V124 WeakPolarHBondContact O-CB 3.26Å; G112-V124 PolarHBondContact O-N 3.04Å; E114-V124 HydrophobicContact CB-CG2 3.79Å; E114-V124 HydrophobicContact CG-CG2 3.78Å; V122-V124 PolarHBondContact O-N 3.49Å; V124-E126 VanDerWaalsContact C-N 3.33Å; V124-E126 HydrophobicContact CG1-CG 4.19Å; V124-E126 PolarHBondContact O-N 3.3Å; V124-L131 HydrophobicContact CG1-CD1 4.18Å; V124-N142 PolarHBondContact O-OD1 2.83Å | ||
| 125 | D | 89.6 | Confident | 85.1 | Confident | 60 Ų | 60 | 82.1 Ų | 82.1 | 32% | 0.321 | 45% | 0.452 | S | S | . | . | trans | -73.5 | 88.8 | 173 | -171.6 | -22.6 | 0 | 0 | 0 | 110.1 | D123 C127 A128 Q129 | D123-D125 PolarHBondContact O-N 3.24Å; D125-C127 PolarHBondContact O-N 3.25Å; D125-C127 VanDerWaalsContact O-N 3.16Å; D125-C127 WeakPolarHBondContact OD1-CA 3.25Å; D125-C127 WeakPolarHBondContact OD1-CB 3.28Å; D125-C127 PolarHBondContact OD1-N 3.32Å; D125-C127 VanDerWaalsContact OD1-N 3.1Å; D125-A128 HydrophobicContact CB-CB 3.97Å; D125-A128 VanDerWaalsContact CG-CB 3.45Å; D125-A128 PolarHBondContact O-N 2.68Å; D125-A128 PolarHBondContact OD1-N 3Å; D125-A128 WeakPolarHBondContact OD2-CB 3.21Å; D125-Q129 WeakPolarHBondContact O-CB 3.14Å; D125-Q129 WeakPolarHBondContact O-CG 3.47Å; D125-Q129 PolarHBondContact O-N 3.09Å | ||
| 126 | E | 92.9 | Very high | 85.3 | Confident | 18 Ų | 18 | 85 Ų | 85 | 8% | 0.084 | 47% | 0.471 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -20.8 | -177.1 | -53.9 | 98 | 150.9 | 0 | 0 | 112.1 | V124 A130 L131 H132 N142 S146 Y147 | V124-E126 VanDerWaalsContact C-N 3.33Å; V124-E126 HydrophobicContact CG1-CG 4.19Å; V124-E126 PolarHBondContact O-N 3.3Å; E126-A130 CarbonylContact O-C 3.52Å; E126-A130 WeakPolarHBondContact O-CA 3.5Å; E126-A130 PolarHBondContact O-N 2.78Å; E126-A130 VanDerWaalsContact O-N 3.14Å; E126-L131 HydrophobicContact CB-CB 4.13Å; E126-L131 HydrophobicContact CG-CB 4.41Å; E126-L131 PolarHBondContact O-N 2.91Å; E126-H132 HydrophobicContact CB-CB 4.48Å; E126-H132 PolarHBondContact O-CD2 2.77Å; E126-N142 PolarHBondContact OE2-OD1 2.96Å; E126-S146 WeakPolarHBondContact OE1-CA 3.44Å; E126-Y147 HydrophobicContact CB-CD1 3.78Å; E126-Y147 HydrophobicContact CB-CG 4.18Å; E126-Y147 HydrophobicContact CG-CD1 3.83Å; E126-Y147 WeakPolarHBondContact OE2-CB 3.45Å |
| 127 | C | 91.7 | Very high | 85.6 | Confident | 33 Ų | 33 | 83.3 Ų | 83.3 | 22% | 0.223 | 47% | 0.465 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -44.7 | 175.5 | -55 | 0 | 0 | 0 | 0 | 112.1 | D125 C140 H141 N142 | D125-C127 PolarHBondContact O-N 3.25Å; D125-C127 VanDerWaalsContact O-N 3.16Å; D125-C127 WeakPolarHBondContact OD1-CA 3.25Å; D125-C127 WeakPolarHBondContact OD1-CB 3.28Å; D125-C127 PolarHBondContact OD1-N 3.32Å; D125-C127 VanDerWaalsContact OD1-N 3.1Å; C127-C140 WeakPolarHBondContact CA-SG 3.42Å; C127-C140 HydrophobicContact CB-CB 3.79Å; C127-C140 WeakPolarHBondContact CB-SG 3.03Å; C127-C140 WeakPolarHBondContact SG-CB 3.47Å; C127-C140 PolarHBondContact SG-O 2.84Å; C127-C140 CovalentContact SG-SG 2.04Å; C127-C140 PolarHBondContact SG-SG 2.83Å; C127-H141 PolarHBondContact SG-N 3.32Å; C127-N142 PolarHBondContact SG-N 3.23Å |
| 128 | A | 90.1 | Very high | 86.2 | Confident | 78 Ų | 78 | 76.7 Ų | 76.7 | 65% | 0.645 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -34.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | D125 A130 | D125-A128 HydrophobicContact CB-CB 3.97Å; D125-A128 VanDerWaalsContact CG-CB 3.45Å; D125-A128 PolarHBondContact O-N 2.68Å; D125-A128 PolarHBondContact OD1-N 3Å; D125-A128 WeakPolarHBondContact OD2-CB 3.21Å; A128-A130 VanDerWaalsContact C-N 3.35Å |
| 129 | Q | 89.4 | Confident | 86.8 | Confident | 88 Ų | 88 | 72.2 Ų | 72.2 | 41% | 0.411 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -1.7 | -178.8 | -59.2 | -170.7 | 25.3 | 0 | 0 | 113.4 | E114 D125 L131 | E114-Q129 PolarHBondContact OE1-NE2 3.18Å; D125-Q129 WeakPolarHBondContact O-CB 3.14Å; D125-Q129 WeakPolarHBondContact O-CG 3.47Å; D125-Q129 PolarHBondContact O-N 3.09Å; Q129-L131 HydrophobicContact CB-CD1 3.86Å; Q129-L131 HydrophobicContact CB-CG 3.91Å; Q129-L131 PolarHBondContact O-N 2.7Å |
| 130 | A | 84.7 | Confident | 87.7 | Confident | 76 Ų | 76 | 65.2 Ų | 65.2 | 63% | 0.628 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 35.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | E126 A128 H132 | E126-A130 CarbonylContact O-C 3.52Å; E126-A130 WeakPolarHBondContact O-CA 3.5Å; E126-A130 PolarHBondContact O-N 2.78Å; E126-A130 VanDerWaalsContact O-N 3.14Å; A128-A130 VanDerWaalsContact C-N 3.35Å; A130-H132 VanDerWaalsContact C-N 3.34Å |
| 131 | L | 87.1 | Confident | 88.4 | Confident | 106 Ų | 106 | 66.3 Ų | 66.3 | 56% | 0.555 | 38% | 0.378 | S | S | * | . | trans | -97.6 | 23.6 | 178.8 | -63.9 | 175.4 | 0 | 0 | 0 | 112.4 | V124 E126 Q129 | V124-L131 HydrophobicContact CG1-CD1 4.18Å; E126-L131 HydrophobicContact CB-CB 4.13Å; E126-L131 HydrophobicContact CG-CB 4.41Å; E126-L131 PolarHBondContact O-N 2.91Å; Q129-L131 HydrophobicContact CB-CD1 3.86Å; Q129-L131 HydrophobicContact CB-CG 3.91Å; Q129-L131 PolarHBondContact O-N 2.7Å | ||
| 132 | H | 86.3 | Confident | 88.8 | Confident | 57 Ų | 57 | 66 Ų | 66 | 26% | 0.264 | 37% | 0.373 | S | S | . | . | trans | -107.6 | 153.5 | -178 | 66.7 | 70 | 0 | 0 | 0 | 112.7 | E126 A130 C134 C140 Y147 | E126-H132 HydrophobicContact CB-CB 4.48Å; E126-H132 PolarHBondContact O-CD2 2.77Å; A130-H132 VanDerWaalsContact C-N 3.34Å; H132-C134 VanDerWaalsContact C-N 3.34Å; H132-C134 VanDerWaalsContact ND1-CB 3.3Å; H132-C134 WeakPolarHBondContact ND1-CB 3.19Å; H132-C134 PolarHBondContact ND1-N 2.81Å; H132-C134 VanDerWaalsContact ND1-N 3.16Å; H132-C140 VanDerWaalsContact CD2-SG 3.54Å; H132-Y147 HydrophobicContact CB-CD1 4.37Å; H132-Y147 HydrophobicContact CB-CD2 3.64Å; H132-Y147 HydrophobicContact CB-CE1 4.36Å; H132-Y147 HydrophobicContact CB-CE2 3.63Å; H132-Y147 HydrophobicContact CB-CG 4.02Å | ||
| 133 | D | 87.9 | Confident | 89 | Confident | 142 Ų | 142 | 66.6 Ų | 66.6 | 76% | 0.759 | 37% | 0.374 | S | S | * | . | trans | -93.2 | 14.6 | 173.9 | -68.9 | -40 | 0 | 0 | 0 | 113.4 | Y147 | D133-Y147 WeakPolarHBondContact CB-OH 3.42Å; D133-Y147 PolarHBondContact N-OH 3.38Å | ||
| 134 | C | 86.9 | Confident | 89.1 | Confident | 15 Ų | 15 | 69.6 Ų | 69.6 | 10% | 0.101 | 40% | 0.396 | C | S | . | . | trans | -60.9 | 137.8 | 177.3 | -50.3 | 0 | 0 | 0 | 0 | 112.2 | H132 Q138 C149 | H132-C134 VanDerWaalsContact C-N 3.34Å; H132-C134 VanDerWaalsContact ND1-CB 3.3Å; H132-C134 WeakPolarHBondContact ND1-CB 3.19Å; H132-C134 PolarHBondContact ND1-N 2.81Å; H132-C134 VanDerWaalsContact ND1-N 3.16Å; C134-Q138 HydrophobicContact CB-CB 4.29Å; C134-C149 WeakPolarHBondContact CA-SG 3.27Å; C134-C149 HydrophobicContact CB-CB 3.68Å; C134-C149 WeakPolarHBondContact CB-SG 3.05Å; C134-C149 PolarHBondContact N-SG 2.86Å; C134-C149 WeakPolarHBondContact SG-CB 3.49Å; C134-C149 CovalentContact SG-SG 2.03Å; C134-C149 PolarHBondContact SG-SG 2.93Å | ||
| 135 | R | 86.8 | Confident | 88.9 | Confident | 140 Ų | 140 | 69.8 Ų | 69.8 | 53% | 0.528 | 40% | 0.402 | S | S | . | . | trans | -71.6 | 157.4 | 175 | -67.3 | -68.5 | -177.5 | 174.8 | -1.9 | 110.7 | S137 Q138 | R135-S137 PolarHBondContact O-N 2.8Å; R135-Q138 HydrophobicContact CB-CG 4.41Å; R135-Q138 WeakPolarHBondContact O-CB 3.36Å; R135-Q138 PolarHBondContact O-N 2.89Å | ||
| 136 | P | 84.4 | Confident | 89 | Confident | 142 Ų | 142 | 69.5 Ų | 69.5 | 92% | 0.922 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -17.6 | 177.4 | -25.4 | 34.6 | 0 | 0 | 0 | 115.4 | ||
| 137 | S | 83.6 | Confident | 88.9 | Confident | 42 Ų | 42 | 71.8 Ų | 71.8 | 29% | 0.294 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 4.9 | 176.8 | 71.4 | 0 | 0 | 0 | 0 | 113.7 | R135 P152 C162 | R135-S137 PolarHBondContact O-N 2.8Å; S137-P152 VanDerWaalsContact O-CD 3.27Å; S137-P152 WeakPolarHBondContact O-CD 3.42Å; S137-C162 PolarHBondContact O-SG 2.83Å; S137-C162 VanDerWaalsContact O-SG 3.33Å |
| 138 | Q | 89.6 | Confident | 88.9 | Confident | 22 Ų | 22 | 75 Ų | 75 | 10% | 0.103 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -117.5 | 146.1 | -176.1 | -73.8 | 169.8 | -2 | 0 | 0 | 110 | C134 R135 C149 T150 P160 C162 | C134-Q138 HydrophobicContact CB-CB 4.29Å; R135-Q138 HydrophobicContact CB-CG 4.41Å; R135-Q138 WeakPolarHBondContact O-CB 3.36Å; R135-Q138 PolarHBondContact O-N 2.89Å; Q138-C149 HydrophobicContact CB-CB 4.27Å; Q138-C149 VanDerWaalsContact OE1-CB 3.31Å; Q138-T150 CarbonylContact C-O 3.58Å; Q138-T150 WeakPolarHBondContact CA-O 3.43Å; Q138-T150 VanDerWaalsContact CB-O 3.27Å; Q138-T150 WeakPolarHBondContact CB-O 3.36Å; Q138-P160 PolarHBondContact NE2-O 3.43Å; Q138-P160 VanDerWaalsContact NE2-O 3.07Å; Q138-C162 WeakPolarHBondContact CG-SG 3.26Å |
| 139 | D | 90.6 | Very high | 88.9 | Confident | 74 Ų | 74 | 72.6 Ų | 72.6 | 40% | 0.396 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 132.1 | 172.2 | -64.8 | -36.5 | 0 | 0 | 0 | 109.1 | C149 T150 P152 | D139-C149 WeakPolarHBondContact O-CA 3.35Å; D139-T150 PolarHBondContact N-O 3.38Å; D139-T150 PolarHBondContact O-N 2.99Å; D139-T150 PolarHBondContact O-OG1 2.81Å; D139-P152 VanDerWaalsContact OD2-CA 3.28Å; D139-P152 WeakPolarHBondContact OD2-CA 3.44Å; D139-P152 WeakPolarHBondContact OD2-CB 3.39Å; D139-P152 WeakPolarHBondContact OD2-CG 3.27Å |
| 140 | C | 91.8 | Very high | 89 | Confident | 30 Ų | 30 | 70.2 Ų | 70.2 | 20% | 0.203 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 127.1 | 175.1 | -174.8 | 0 | 0 | 0 | 0 | 109.1 | C127 H132 | C127-C140 WeakPolarHBondContact CA-SG 3.42Å; C127-C140 HydrophobicContact CB-CB 3.79Å; C127-C140 WeakPolarHBondContact CB-SG 3.03Å; C127-C140 WeakPolarHBondContact SG-CB 3.47Å; C127-C140 PolarHBondContact SG-O 2.84Å; C127-C140 CovalentContact SG-SG 2.04Å; C127-C140 PolarHBondContact SG-SG 2.83Å; H132-C140 VanDerWaalsContact CD2-SG 3.54Å |
| 141 | H | 92.8 | Very high | 89.4 | Confident | 92 Ų | 92 | 67.8 Ų | 67.8 | 43% | 0.426 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 119.8 | 170.7 | -60.8 | -48.9 | 0 | 0 | 0 | 109.6 | C127 Y147 Q148 T150 | C127-H141 PolarHBondContact SG-N 3.32Å; H141-Y147 CarbonylContact O-C 3.25Å; H141-Y147 WeakPolarHBondContact O-CA 3.47Å; H141-Q148 PolarHBondContact N-O 3.5Å; H141-Q148 PolarHBondContact O-N 3.43Å; H141-T150 PolarHBondContact CD2-OG1 3.27Å; H141-T150 PolarHBondContact NE2-OG1 2.94Å |
| 142 | N | 92.1 | Very high | 89.5 | Confident | 50 Ų | 50 | 64.4 Ų | 64.4 | 27% | 0.267 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 136.1 | 174.7 | -176.7 | 35 | 0 | 0 | 0 | 110.1 | D123 V124 E126 C127 | D123-N142 PolarHBondContact OD2-ND2 2.84Å; D123-N142 PolarHBondContact OD2-OD1 2.8Å; V124-N142 PolarHBondContact O-OD1 2.83Å; E126-N142 PolarHBondContact OE2-OD1 2.96Å; C127-N142 PolarHBondContact SG-N 3.23Å |
| 143 | L | 91.4 | Very high | 89.7 | Confident | 69 Ų | 69 | 69.3 Ų | 69.3 | 36% | 0.361 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 152.2 | 177.5 | -57.3 | 172.5 | 0 | 0 | 0 | 108.9 | G145 S146 Q148 | L143-G145 PolarHBondContact O-N 2.88Å; L143-S146 CarbonylContact C-O 3.54Å; L143-S146 VanDerWaalsContact C-O 3.25Å; L143-S146 WeakPolarHBondContact CA-O 3.42Å; L143-S146 WeakPolarHBondContact CB-O 3.31Å; L143-S146 PolarHBondContact N-O 2.87Å; L143-S146 CarbonylContact O-C 3.56Å; L143-S146 PolarHBondContact O-N 2.9Å; L143-Q148 HydrophobicContact CD1-CB 3.79Å; L143-Q148 HydrophobicContact CG-CB 4.49Å |
| 144 | P | 90.9 | Very high | 89.7 | Confident | 108 Ų | 108 | 63.6 Ų | 63.6 | 70% | 0.701 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 107.5 | 177.6 | -26.1 | 35.3 | 0 | 0 | 0 | 112.7 | Y113 D123 | Y113-P144 VanDerWaalsContact OH-C 3.22Å; Y113-P144 WeakPolarHBondContact OH-CB 3.25Å; D123-P144 WeakPolarHBondContact OD1-CA 3.48Å |
| 145 | G | 87.1 | Confident | 90 | Very high | 24 Ų | 24 | 66.2 Ų | 66.2 | 25% | 0.247 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | 6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | Y113 D123 L143 | Y113-G145 PolarHBondContact OH-N 2.84Å; D123-G145 PolarHBondContact OD1-N 2.93Å; L143-G145 PolarHBondContact O-N 2.88Å |
| 146 | S | 90.8 | Very high | 90.2 | Very high | 54 Ų | 54 | 66.1 Ų | 66.1 | 38% | 0.378 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.7 | 175.2 | 174 | 93.7 | 0 | 0 | 0 | 0 | 112.7 | E126 L143 | E126-S146 WeakPolarHBondContact OE1-CA 3.44Å; L143-S146 CarbonylContact C-O 3.54Å; L143-S146 VanDerWaalsContact C-O 3.25Å; L143-S146 WeakPolarHBondContact CA-O 3.42Å; L143-S146 WeakPolarHBondContact CB-O 3.31Å; L143-S146 PolarHBondContact N-O 2.87Å; L143-S146 CarbonylContact O-C 3.56Å; L143-S146 PolarHBondContact O-N 2.9Å |
| 147 | Y | 91.8 | Very high | 90.4 | Very high | 65 Ų | 65 | 65.4 Ų | 65.4 | 26% | 0.255 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 161.9 | 167.2 | 63.6 | -81.1 | 0 | 0 | 0 | 112.7 | E126 H132 D133 H141 | E126-Y147 HydrophobicContact CB-CD1 3.78Å; E126-Y147 HydrophobicContact CB-CG 4.18Å; E126-Y147 HydrophobicContact CG-CD1 3.83Å; E126-Y147 WeakPolarHBondContact OE2-CB 3.45Å; H132-Y147 HydrophobicContact CB-CD1 4.37Å; H132-Y147 HydrophobicContact CB-CD2 3.64Å; H132-Y147 HydrophobicContact CB-CE1 4.36Å; H132-Y147 HydrophobicContact CB-CE2 3.63Å; H132-Y147 HydrophobicContact CB-CG 4.02Å; D133-Y147 WeakPolarHBondContact CB-OH 3.42Å; D133-Y147 PolarHBondContact N-OH 3.38Å; H141-Y147 CarbonylContact O-C 3.25Å; H141-Y147 WeakPolarHBondContact O-CA 3.47Å |
| 148 | Q | 90.9 | Very high | 90.6 | Very high | 102 Ų | 102 | 66.9 Ų | 66.9 | 48% | 0.477 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 130.8 | 171.6 | -174.2 | 179.1 | 50.5 | 0 | 0 | 111 | H141 L143 T150 | H141-Q148 PolarHBondContact N-O 3.5Å; H141-Q148 PolarHBondContact O-N 3.43Å; L143-Q148 HydrophobicContact CD1-CB 3.79Å; L143-Q148 HydrophobicContact CG-CB 4.49Å; Q148-T150 HydrophobicContact CG-CG2 4.01Å |
| 149 | C | 90.6 | Very high | 90.4 | Very high | 27 Ų | 27 | 68.6 Ų | 68.6 | 18% | 0.182 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 112.3 | 171.9 | -45.7 | 0 | 0 | 0 | 0 | 110.5 | C134 Q138 D139 | C134-C149 WeakPolarHBondContact CA-SG 3.27Å; C134-C149 HydrophobicContact CB-CB 3.68Å; C134-C149 WeakPolarHBondContact CB-SG 3.05Å; C134-C149 PolarHBondContact N-SG 2.86Å; C134-C149 WeakPolarHBondContact SG-CB 3.49Å; C134-C149 CovalentContact SG-SG 2.03Å; C134-C149 PolarHBondContact SG-SG 2.93Å; Q138-C149 HydrophobicContact CB-CB 4.27Å; Q138-C149 VanDerWaalsContact OE1-CB 3.31Å; D139-C149 WeakPolarHBondContact O-CA 3.35Å |
| 150 | T | 91.4 | Very high | 89.9 | Confident | 38 Ų | 38 | 68.6 Ų | 68.6 | 23% | 0.233 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 164.3 | 177.4 | 53.6 | 0 | 0 | 0 | 0 | 110.2 | Q138 D139 H141 Q148 | Q138-T150 CarbonylContact C-O 3.58Å; Q138-T150 WeakPolarHBondContact CA-O 3.43Å; Q138-T150 VanDerWaalsContact CB-O 3.27Å; Q138-T150 WeakPolarHBondContact CB-O 3.36Å; D139-T150 PolarHBondContact N-O 3.38Å; D139-T150 PolarHBondContact O-N 2.99Å; D139-T150 PolarHBondContact O-OG1 2.81Å; H141-T150 PolarHBondContact CD2-OG1 3.27Å; H141-T150 PolarHBondContact NE2-OG1 2.94Å; Q148-T150 HydrophobicContact CG-CG2 4.01Å |
| 151 | C | 92.3 | Very high | 89.6 | Confident | 24 Ų | 24 | 71.7 Ų | 71.7 | 16% | 0.162 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -85.3 | 147 | 168.2 | -69 | 0 | 0 | 0 | 0 | 109.1 | C162 | C151-C162 WeakPolarHBondContact CA-SG 3.41Å; C151-C162 HydrophobicContact CB-CB 3.8Å; C151-C162 WeakPolarHBondContact CB-SG 3.42Å; C151-C162 VanDerWaalsContact SG-CA 3.54Å; C151-C162 WeakPolarHBondContact SG-CB 3.36Å; C151-C162 CovalentContact SG-SG 2.04Å; C151-C162 PolarHBondContact SG-SG 3.49Å |
| 152 | P | 90.4 | Very high | 89.6 | Confident | 35 Ų | 35 | 68.2 Ų | 68.2 | 23% | 0.227 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -54.3 | 156.1 | 171.2 | -22.4 | 30.4 | 0 | 0 | 0 | 111.9 | S137 D139 G154 Y155 | S137-P152 VanDerWaalsContact O-CD 3.27Å; S137-P152 WeakPolarHBondContact O-CD 3.42Å; D139-P152 VanDerWaalsContact OD2-CA 3.28Å; D139-P152 WeakPolarHBondContact OD2-CA 3.44Å; D139-P152 WeakPolarHBondContact OD2-CB 3.39Å; D139-P152 WeakPolarHBondContact OD2-CG 3.27Å; P152-G154 PolarHBondContact O-N 2.97Å; P152-Y155 HydrophobicContact CB-CD2 4.1Å; P152-Y155 WeakPolarHBondContact O-CB 3.23Å; P152-Y155 PolarHBondContact O-N 3.39Å |
| 153 | D | 90.1 | Very high | 89.5 | Confident | 161 Ų | 161 | 68.8 Ų | 68.8 | 86% | 0.861 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 135.3 | 175.3 | -72.2 | -32.7 | 0 | 0 | 0 | 111.2 | ||
| 154 | G | 88.5 | Confident | 89.6 | Confident | 22 Ų | 22 | 67.2 Ų | 67.2 | 23% | 0.227 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.5 | -0.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115 | P152 I165 | P152-G154 PolarHBondContact O-N 2.97Å; G154-I165 VanDerWaalsContact O-CB 3.29Å; G154-I165 WeakPolarHBondContact O-CB 3.45Å; G154-I165 WeakPolarHBondContact O-CG1 3.27Å; G154-I165 PolarHBondContact O-N 2.75Å |
| 155 | Y | 92.3 | Very high | 89.7 | Confident | 70 Ų | 70 | 64.6 Ų | 64.6 | 28% | 0.275 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 147.2 | 176.3 | -65.7 | -103.6 | 0 | 0 | 0 | 111.9 | P152 C162 D164 P181 G182 | P152-Y155 HydrophobicContact CB-CD2 4.1Å; P152-Y155 WeakPolarHBondContact O-CB 3.23Å; P152-Y155 PolarHBondContact O-N 3.39Å; Y155-C162 HydrophobicContact CD1-CB 4.47Å; Y155-D164 HydrophobicContact CD1-CB 4.12Å; Y155-D164 VanDerWaalsContact CD1-N 3.31Å; Y155-D164 HydrophobicContact CE1-CB 3.85Å; Y155-P181 VanDerWaalsContact OH-C 3.29Å; Y155-P181 WeakPolarHBondContact OH-CA 3.2Å; Y155-P181 VanDerWaalsContact OH-CB 3.25Å; Y155-P181 WeakPolarHBondContact OH-CB 3.35Å; Y155-G182 PolarHBondContact OH-N 3.19Å |
| 156 | R | 90.3 | Very high | 90 | Very high | 138 Ų | 138 | 66.8 Ų | 66.8 | 52% | 0.521 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 145.7 | 173.6 | 66.3 | -178.8 | -178.4 | 99.7 | 0.2 | 111.2 | I158 V163 I165 | R156-I158 HydrophobicContact CG-CG1 4.3Å; R156-I158 VanDerWaalsContact NH1-CG1 3.27Å; R156-I158 PolarHBondContact O-N 3.3Å; R156-V163 PolarHBondContact N-O 2.04Å; R156-V163 PolarHBondContact O-N 3.13Å; R156-I165 HydrophobicContact CB-CD1 4.15Å; R156-I165 HydrophobicContact CB-CG1 3.84Å; R156-I165 HydrophobicContact CG-CG1 3.95Å |
| 157 | K | 89.1 | Confident | 90 | Very high | 126 Ų | 126 | 65.4 Ų | 65.4 | 55% | 0.548 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 119.9 | 177.8 | -165.7 | 169.3 | -174.5 | 168.6 | 0 | 110.7 | G159 | K157-G159 WeakPolarHBondContact CG-O 3.49Å |
| 158 | I | 87.3 | Confident | 90 | Very high | 73 Ų | 73 | 63.8 Ų | 63.8 | 37% | 0.374 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 101.9 | 171.1 | -52.8 | 176.2 | 0 | 0 | 0 | 107.9 | R156 E161 V163 | R156-I158 HydrophobicContact CG-CG1 4.3Å; R156-I158 VanDerWaalsContact NH1-CG1 3.27Å; R156-I158 PolarHBondContact O-N 3.3Å; I158-E161 PolarHBondContact N-O 3.37Å; I158-E161 PolarHBondContact O-N 3.05Å; I158-V163 HydrophobicContact CB-CG2 4.31Å; I158-V163 HydrophobicContact CD1-CB 3.76Å; I158-V163 HydrophobicContact CD1-CG1 4.16Å; I158-V163 HydrophobicContact CD1-CG2 3.83Å; I158-V163 HydrophobicContact CG1-CB 4.3Å; I158-V163 HydrophobicContact CG1-CG2 4.26Å |
| 159 | G | 85.1 | Confident | 89.9 | Confident | 58 Ų | 58 | 68.7 Ų | 68.7 | 60% | 0.598 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | -128.6 | -170.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | K157 | K157-G159 WeakPolarHBondContact CG-O 3.49Š|
| 160 | P | 81.3 | Confident | 89.7 | Confident | 75 Ų | 75 | 75 Ų | 75 | 49% | 0.487 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -10.3 | 178.9 | 33.8 | -33 | 0 | 0 | 0 | 114.7 | Q138 | Q138-P160 PolarHBondContact NE2-O 3.43Å; Q138-P160 VanDerWaalsContact NE2-O 3.07Å |
| 161 | E | 86.3 | Confident | 89.2 | Confident | 95 Ų | 95 | 84.1 Ų | 84.1 | 44% | 0.444 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 149.9 | -172.4 | -61.7 | -60.4 | 146.3 | 0 | 0 | 112.3 | I158 | I158-E161 PolarHBondContact N-O 3.37Å; I158-E161 PolarHBondContact O-N 3.05Å |
| 162 | C | 91 | Very high | 88.9 | Confident | 18 Ų | 18 | 88.4 Ų | 88.4 | 12% | 0.122 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 118 | 169.2 | -66.2 | 0 | 0 | 0 | 0 | 109.3 | S137 Q138 C151 Y155 | S137-C162 PolarHBondContact O-SG 2.83Å; S137-C162 VanDerWaalsContact O-SG 3.33Å; Q138-C162 WeakPolarHBondContact CG-SG 3.26Å; C151-C162 WeakPolarHBondContact CA-SG 3.41Å; C151-C162 HydrophobicContact CB-CB 3.8Å; C151-C162 WeakPolarHBondContact CB-SG 3.42Å; C151-C162 VanDerWaalsContact SG-CA 3.54Å; C151-C162 WeakPolarHBondContact SG-CB 3.36Å; C151-C162 CovalentContact SG-SG 2.04Å; C151-C162 PolarHBondContact SG-SG 3.49Å; Y155-C162 HydrophobicContact CD1-CB 4.47Å |
| 163 | V | 91 | Very high | 88.9 | Confident | 63 Ų | 63 | 87.4 Ų | 87.4 | 38% | 0.382 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 134.3 | 179.6 | -178 | 0 | 0 | 0 | 0 | 108.4 | R156 I158 | R156-V163 PolarHBondContact N-O 2.04Å; R156-V163 PolarHBondContact O-N 3.13Å; I158-V163 HydrophobicContact CB-CG2 4.31Å; I158-V163 HydrophobicContact CD1-CB 3.76Å; I158-V163 HydrophobicContact CD1-CG1 4.16Å; I158-V163 HydrophobicContact CD1-CG2 3.83Å; I158-V163 HydrophobicContact CG1-CB 4.3Å; I158-V163 HydrophobicContact CG1-CG2 4.26Å |
| 164 | D | 93.6 | Very high | 89 | Confident | 35 Ų | 35 | 84.1 Ų | 84.1 | 19% | 0.187 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.3 | 135.9 | 177.3 | -176 | 60.5 | 0 | 0 | 0 | 111.8 | Y155 D166 N179 G182 | Y155-D164 HydrophobicContact CD1-CB 4.12Å; Y155-D164 VanDerWaalsContact CD1-N 3.31Å; Y155-D164 HydrophobicContact CE1-CB 3.85Å; D164-D166 PolarHBondContact O-N 3.39Å; D164-N179 PolarHBondContact OD2-ND2 3.09Å; D164-G182 PolarHBondContact OD1-N 3.02Å |
| 165 | I | 93.2 | Very high | 89.2 | Confident | 53 Ų | 53 | 85.7 Ų | 85.7 | 27% | 0.272 | 40% | 0.4 | S | S | . | . | trans | -82.8 | 111.1 | 175.3 | -63 | 168.7 | 0 | 0 | 0 | 107.1 | G154 R156 E167 | G154-I165 VanDerWaalsContact O-CB 3.29Å; G154-I165 WeakPolarHBondContact O-CB 3.45Å; G154-I165 WeakPolarHBondContact O-CG1 3.27Å; G154-I165 PolarHBondContact O-N 2.75Å; R156-I165 HydrophobicContact CB-CD1 4.15Å; R156-I165 HydrophobicContact CB-CG1 3.84Å; R156-I165 HydrophobicContact CG-CG1 3.95Å; I165-E167 HydrophobicContact CG2-CG 4.24Å; I165-E167 PolarHBondContact O-N 3.33Å | ||
| 166 | D | 91.9 | Very high | 89.2 | Confident | 70 Ų | 70 | 89.8 Ų | 89.8 | 37% | 0.374 | 42% | 0.415 | S | S | . | . | trans | -72.7 | 89.9 | 173.2 | -179 | 0 | 0 | 0 | 0 | 110.6 | D164 C168 R169 N179 | D164-D166 PolarHBondContact O-N 3.39Å; D166-C168 PolarHBondContact O-N 3.31Å; D166-C168 VanDerWaalsContact OD1-CB 3.27Å; D166-C168 WeakPolarHBondContact OD1-CB 3.33Å; D166-C168 PolarHBondContact OD1-N 3.4Å; D166-C168 VanDerWaalsContact OD1-N 3.11Å; D166-R169 WeakPolarHBondContact O-CB 3.42Å; D166-R169 PolarHBondContact O-N 3.44Å; D166-R169 PolarHBondContact OD1-N 2.93Å; D166-N179 WeakPolarHBondContact CA-OD1 3.46Å | ||
| 167 | E | 92 | Very high | 89.4 | Confident | 25 Ų | 25 | 84.8 Ų | 84.8 | 12% | 0.117 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -66.1 | -25.5 | 179.9 | -56.5 | 94.9 | 158.1 | 0 | 0 | 111.3 | I165 R169 Y170 Y172 N179 F184 | I165-E167 HydrophobicContact CG2-CG 4.24Å; I165-E167 PolarHBondContact O-N 3.33Å; E167-R169 PolarHBondContact O-N 2.79Å; E167-R169 VanDerWaalsContact O-N 3.08Å; E167-Y170 PolarHBondContact O-N 3.36Å; E167-Y172 HydrophobicContact CB-CD2 3.87Å; E167-Y172 HydrophobicContact CB-CE2 4.24Å; E167-Y172 VanDerWaalsContact O-CD2 3.25Å; E167-Y172 WeakPolarHBondContact O-CD2 3.39Å; E167-N179 PolarHBondContact OE2-OD1 2.79Å; E167-F184 HydrophobicContact CB-CB 4.18Å; E167-F184 HydrophobicContact CB-CD1 3.58Å; E167-F184 HydrophobicContact CB-CE1 4.21Å; E167-F184 HydrophobicContact CB-CG 3.86Å; E167-F184 HydrophobicContact CG-CD1 3.66Å; E167-F184 HydrophobicContact CG-CE1 4.24Å; E167-F184 HydrophobicContact CG-CG 4.38Å; E167-F184 WeakPolarHBondContact OE2-CB 3.5Å |
| 168 | C | 91.3 | Very high | 89.6 | Confident | 32 Ų | 32 | 80.5 Ų | 80.5 | 22% | 0.216 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -62.7 | -21.4 | 179.5 | -62.4 | 0 | 0 | 0 | 0 | 113.4 | D166 Y170 R171 C177 V178 N179 | D166-C168 PolarHBondContact O-N 3.31Å; D166-C168 VanDerWaalsContact OD1-CB 3.27Å; D166-C168 WeakPolarHBondContact OD1-CB 3.33Å; D166-C168 PolarHBondContact OD1-N 3.4Å; D166-C168 VanDerWaalsContact OD1-N 3.11Å; C168-Y170 PolarHBondContact O-N 2.86Å; C168-R171 PolarHBondContact O-N 3.02Å; C168-C177 WeakPolarHBondContact CA-SG 3.38Å; C168-C177 HydrophobicContact CB-CB 3.59Å; C168-C177 WeakPolarHBondContact CB-SG 3.31Å; C168-C177 WeakPolarHBondContact SG-CB 3.09Å; C168-C177 CovalentContact SG-SG 2.03Å; C168-C177 PolarHBondContact SG-SG 2.87Å; C168-V178 VanDerWaalsContact SG-C 3.52Å; C168-V178 PolarHBondContact SG-N 2.91Å; C168-N179 PolarHBondContact SG-N 3.11Å |
| 169 | R | 89.2 | Confident | 90 | Very high | 205 Ų | 205 | 79.6 Ų | 79.6 | 77% | 0.774 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -65.6 | -17.6 | 174.5 | -163.1 | 164.1 | -179.2 | 142.4 | -1.3 | 113.8 | D166 E167 | D166-R169 WeakPolarHBondContact O-CB 3.42Å; D166-R169 PolarHBondContact O-N 3.44Å; D166-R169 PolarHBondContact OD1-N 2.93Å; E167-R169 PolarHBondContact O-N 2.79Å; E167-R169 VanDerWaalsContact O-N 3.08Å |
| 170 | Y | 86.3 | Confident | 90.4 | Very high | 158 Ų | 158 | 79.1 Ų | 79.1 | 62% | 0.62 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -104.7 | 13.2 | -176.2 | -58.8 | -84.7 | 0 | 0 | 0 | 114 | E167 C168 Y172 | E167-Y170 PolarHBondContact O-N 3.36Å; C168-Y170 PolarHBondContact O-N 2.86Å; Y170-Y172 VanDerWaalsContact C-N 3.32Å; Y170-Y172 VanDerWaalsContact CB-CE2 3.5Å; Y170-Y172 HydrophobicContact CD2-CE2 4.27Å; Y170-Y172 HydrophobicContact CG-CE2 4.14Å; Y170-Y172 PolarHBondContact O-N 2.98Å |
| 171 | R | 81.9 | Confident | 90.9 | Very high | 231 Ų | 231 | 80.6 Ų | 80.6 | 87% | 0.872 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 42.7 | 178.1 | -64 | -171.4 | 171.7 | -176.4 | -2.5 | 114.2 | C168 C173 | C168-R171 PolarHBondContact O-N 3.02Å; R171-C173 PolarHBondContact O-N 3.16Å |
| 172 | Y | 85.6 | Confident | 91.1 | Very high | 113 Ų | 113 | 77.2 Ų | 77.2 | 44% | 0.443 | 37% | 0.365 | S | S | . | . | trans | -71.2 | -12.2 | 179.6 | -84.3 | -63 | 0 | 0 | 0 | 115.6 | E167 Y170 R199 | E167-Y172 HydrophobicContact CB-CD2 3.87Å; E167-Y172 HydrophobicContact CB-CE2 4.24Å; E167-Y172 VanDerWaalsContact O-CD2 3.25Å; E167-Y172 WeakPolarHBondContact O-CD2 3.39Å; Y170-Y172 VanDerWaalsContact C-N 3.32Å; Y170-Y172 VanDerWaalsContact CB-CE2 3.5Å; Y170-Y172 HydrophobicContact CD2-CE2 4.27Å; Y170-Y172 HydrophobicContact CG-CE2 4.14Å; Y170-Y172 PolarHBondContact O-N 2.98Å; Y172-R199 VanDerWaalsContact CG-NH1 3.33Å | ||
| 173 | C | 90.8 | Very high | 91.2 | Very high | 15 Ų | 15 | 78.8 Ų | 78.8 | 10% | 0.101 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -111.2 | 144.6 | 179 | -58.2 | 0 | 0 | 0 | 0 | 110.8 | R171 C177 C186 | R171-C173 PolarHBondContact O-N 3.16Å; C173-C177 HydrophobicContact CB-CB 3.97Å; C173-C177 WeakPolarHBondContact SG-CB 3.3Å; C173-C186 WeakPolarHBondContact CA-SG 3.17Å; C173-C186 HydrophobicContact CB-CB 3.65Å; C173-C186 WeakPolarHBondContact CB-SG 3.31Å; C173-C186 WeakPolarHBondContact SG-CA 3.28Å; C173-C186 WeakPolarHBondContact SG-CB 3.34Å; C173-C186 CovalentContact SG-SG 2.02Å; C173-C186 PolarHBondContact SG-SG 2.99Å |
| 174 | Q | 91.3 | Very high | 91.3 | Very high | 92 Ų | 92 | 78 Ų | 78 | 43% | 0.43 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -67.3 | -43.2 | 175.4 | -178.7 | 179 | -22.4 | 0 | 0 | 112.4 | R199 S200 C201 | Q174-R199 PolarHBondContact N-O 2.91Å; Q174-S200 VanDerWaalsContact OE1-CA 3.31Å; Q174-C201 PolarHBondContact NE2-O 3.37Å; Q174-C201 PolarHBondContact OE1-O 2.89Å |
| 175 | H | 91.8 | Very high | 91.3 | Very high | 55 Ų | 55 | 82.8 Ų | 82.8 | 26% | 0.255 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -106.6 | -117.3 | 177.3 | -65.8 | 167.3 | 0 | 0 | 0 | 110.1 | Q187 E189 F192 C201 | H175-Q187 WeakPolarHBondContact CB-O 3.48Å; H175-E189 HydrophobicContact CB-CG 4.31Å; H175-E189 PolarHBondContact ND1-N 3.19Å; H175-F192 AromaticContact CE1-CD1 3.92Å; H175-F192 AromaticContact CE1-CD2 3.78Å; H175-F192 AromaticContact CE1-CG 3.67Å; H175-C201 VanDerWaalsContact CE1-CB 3.42Å; H175-C201 WeakPolarHBondContact CE1-CB 3.4Å; H175-C201 VanDerWaalsContact ND1-CB 3.34Å; H175-C201 WeakPolarHBondContact ND1-CB 3.42Å; H175-C201 PolarHBondContact ND1-SG 3.4Å |
| 176 | R | 92.8 | Very high | 91.3 | Very high | 155 Ų | 155 | 80.8 Ų | 80.8 | 59% | 0.585 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 134.3 | -174.7 | -176.6 | 176.9 | -178.2 | 178.4 | 0.1 | 111.1 | C186 Q187 | R176-C186 CarbonylContact O-C 3.57Å; R176-C186 WeakPolarHBondContact O-CA 3.4Å; R176-Q187 HydrophobicContact CB-CB 4.22Å; R176-Q187 PolarHBondContact N-O 2.9Å; R176-Q187 PolarHBondContact O-N 3.5Å |
| 177 | C | 94.5 | Very high | 91.4 | Very high | 33 Ų | 33 | 80.8 Ų | 80.8 | 22% | 0.223 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 138.7 | 171.3 | -172.8 | 0 | 0 | 0 | 0 | 110.4 | C168 C173 | C168-C177 WeakPolarHBondContact CA-SG 3.38Å; C168-C177 HydrophobicContact CB-CB 3.59Å; C168-C177 WeakPolarHBondContact CB-SG 3.31Å; C168-C177 WeakPolarHBondContact SG-CB 3.09Å; C168-C177 CovalentContact SG-SG 2.03Å; C168-C177 PolarHBondContact SG-SG 2.87Å; C173-C177 HydrophobicContact CB-CB 3.97Å; C173-C177 WeakPolarHBondContact SG-CB 3.3Å |
| 178 | V | 94.2 | Very high | 91.6 | Very high | 36 Ų | 36 | 81.2 Ų | 81.2 | 22% | 0.218 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 114.9 | 173.7 | -178.8 | 0 | 0 | 0 | 0 | 108.5 | C168 L180 F184 R185 Q187 | C168-V178 VanDerWaalsContact SG-C 3.52Å; C168-V178 PolarHBondContact SG-N 2.91Å; V178-L180 HydrophobicContact CG1-CD2 4.26Å; V178-F184 WeakPolarHBondContact O-CA 3.4Å; V178-R185 HydrophobicContact CB-CG 4.08Å; V178-R185 PolarHBondContact N-O 2.97Å; V178-R185 PolarHBondContact O-N 2.76Å; V178-Q187 HydrophobicContact CG2-CG 4.31Å |
| 179 | N | 94.2 | Very high | 91.7 | Very high | 55 Ų | 55 | 84.5 Ų | 84.5 | 29% | 0.294 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 135.5 | 176.3 | -165.4 | 51.2 | 0 | 0 | 0 | 110.2 | D164 D166 E167 C168 | D164-N179 PolarHBondContact OD2-ND2 3.09Å; D166-N179 WeakPolarHBondContact CA-OD1 3.46Å; E167-N179 PolarHBondContact OE2-OD1 2.79Å; C168-N179 PolarHBondContact SG-N 3.11Å |
| 180 | L | 94.1 | Very high | 91.8 | Very high | 48 Ų | 48 | 80 Ų | 80 | 25% | 0.251 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 156.5 | 179 | -59.3 | 174.6 | 0 | 0 | 0 | 108.7 | V178 G182 S183 R185 | V178-L180 HydrophobicContact CG1-CD2 4.26Å; L180-G182 PolarHBondContact O-N 3.01Å; L180-S183 CarbonylContact C-O 3.5Å; L180-S183 VanDerWaalsContact C-O 3.28Å; L180-S183 VanDerWaalsContact CA-O 3.28Å; L180-S183 WeakPolarHBondContact CA-O 3.43Å; L180-S183 WeakPolarHBondContact CB-O 3.38Å; L180-S183 PolarHBondContact N-O 3.4Å; L180-S183 PolarHBondContact O-N 3.22Å; L180-S183 VanDerWaalsContact O-N 3.14Å; L180-R185 HydrophobicContact CD1-CB 4.42Å; L180-R185 HydrophobicContact CD1-CG 3.98Å |
| 181 | P | 92.9 | Very high | 92 | Very high | 106 Ų | 106 | 73.4 Ų | 73.4 | 69% | 0.688 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 117.4 | 174 | -22.8 | 34.1 | 0 | 0 | 0 | 111.3 | Y155 S183 | Y155-P181 VanDerWaalsContact OH-C 3.29Å; Y155-P181 WeakPolarHBondContact OH-CA 3.2Å; Y155-P181 VanDerWaalsContact OH-CB 3.25Å; Y155-P181 WeakPolarHBondContact OH-CB 3.35Å; P181-S183 VanDerWaalsContact C-N 3.3Å; P181-S183 PolarHBondContact O-N 3.01Å |
| 182 | G | 89.8 | Confident | 92.6 | Very high | 23 Ų | 23 | 63.9 Ų | 63.9 | 24% | 0.237 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | 6.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y155 D164 L180 | Y155-G182 PolarHBondContact OH-N 3.19Å; D164-G182 PolarHBondContact OD1-N 3.02Å; L180-G182 PolarHBondContact O-N 3.01Å |
| 183 | S | 92.8 | Very high | 93 | Very high | 52 Ų | 52 | 63.1 Ų | 63.1 | 36% | 0.364 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.2 | 179.1 | -178.8 | 61.4 | 0 | 0 | 0 | 0 | 112.5 | L180 P181 | L180-S183 CarbonylContact C-O 3.5Å; L180-S183 VanDerWaalsContact C-O 3.28Å; L180-S183 VanDerWaalsContact CA-O 3.28Å; L180-S183 WeakPolarHBondContact CA-O 3.43Å; L180-S183 WeakPolarHBondContact CB-O 3.38Å; L180-S183 PolarHBondContact N-O 3.4Å; L180-S183 PolarHBondContact O-N 3.22Å; L180-S183 VanDerWaalsContact O-N 3.14Å; P181-S183 VanDerWaalsContact C-N 3.3Å; P181-S183 PolarHBondContact O-N 3.01Å |
| 184 | F | 93.3 | Very high | 93.2 | Very high | 45 Ų | 45 | 65.8 Ų | 65.8 | 20% | 0.197 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 163.6 | 169 | 68.9 | -73 | 0 | 0 | 0 | 110.4 | E167 V178 | E167-F184 HydrophobicContact CB-CB 4.18Å; E167-F184 HydrophobicContact CB-CD1 3.58Å; E167-F184 HydrophobicContact CB-CE1 4.21Å; E167-F184 HydrophobicContact CB-CG 3.86Å; E167-F184 HydrophobicContact CG-CD1 3.66Å; E167-F184 HydrophobicContact CG-CE1 4.24Å; E167-F184 HydrophobicContact CG-CG 4.38Å; E167-F184 WeakPolarHBondContact OE2-CB 3.5Å; V178-F184 WeakPolarHBondContact O-CA 3.4Å |
| 185 | R | 92.7 | Very high | 93.2 | Very high | 136 Ų | 136 | 61.6 Ų | 61.6 | 51% | 0.513 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 143.6 | 167.2 | 63.1 | 177.5 | 156.4 | -174.3 | -11 | 112.1 | V178 L180 | V178-R185 HydrophobicContact CB-CG 4.08Å; V178-R185 PolarHBondContact N-O 2.97Å; V178-R185 PolarHBondContact O-N 2.76Å; L180-R185 HydrophobicContact CD1-CB 4.42Å; L180-R185 HydrophobicContact CD1-CG 3.98Å |
| 186 | C | 94.6 | Very high | 93.1 | Very high | 11 Ų | 11 | 65.5 Ų | 65.5 | 7% | 0.074 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 141.9 | 172.1 | -56.3 | 0 | 0 | 0 | 0 | 110.5 | C173 R176 L194 N198 | C173-C186 WeakPolarHBondContact CA-SG 3.17Å; C173-C186 HydrophobicContact CB-CB 3.65Å; C173-C186 WeakPolarHBondContact CB-SG 3.31Å; C173-C186 WeakPolarHBondContact SG-CA 3.28Å; C173-C186 WeakPolarHBondContact SG-CB 3.34Å; C173-C186 CovalentContact SG-SG 2.02Å; C173-C186 PolarHBondContact SG-SG 2.99Å; R176-C186 CarbonylContact O-C 3.57Å; R176-C186 WeakPolarHBondContact O-CA 3.4Å; C186-L194 HydrophobicContact CB-CD1 3.9Å; C186-N198 WeakPolarHBondContact CB-O 3.44Å; C186-N198 PolarHBondContact SG-O 3.48Å |
| 187 | Q | 94.3 | Very high | 93 | Very high | 71 Ų | 71 | 62 Ų | 62 | 33% | 0.332 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 134.1 | 175.2 | -68.3 | -178.6 | -7.6 | 0 | 0 | 108.7 | H175 R176 V178 | H175-Q187 WeakPolarHBondContact CB-O 3.48Å; R176-Q187 HydrophobicContact CB-CB 4.22Å; R176-Q187 PolarHBondContact N-O 2.9Å; R176-Q187 PolarHBondContact O-N 3.5Å; V178-Q187 HydrophobicContact CG2-CG 4.31Å |
| 188 | C | 94.6 | Very high | 92.7 | Very high | 33 Ų | 33 | 65.6 Ų | 65.6 | 22% | 0.223 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -91.3 | 146 | 177.3 | -60.5 | 0 | 0 | 0 | 0 | 110.6 | F192 C201 | C188-F192 HydrophobicContact CB-CB 3.75Å; C188-C201 WeakPolarHBondContact CA-SG 3.49Å; C188-C201 HydrophobicContact CB-CB 3.81Å; C188-C201 WeakPolarHBondContact CB-SG 3.43Å; C188-C201 VanDerWaalsContact SG-CA 3.52Å; C188-C201 WeakPolarHBondContact SG-CB 3.45Å; C188-C201 CovalentContact SG-SG 2.04Å; C188-C201 PolarHBondContact SG-SG 2.86Å |
| 189 | E | 94.1 | Very high | 92.5 | Very high | 102 Ų | 102 | 68.4 Ų | 68.4 | 48% | 0.477 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 160.1 | 168.6 | -63.3 | -60 | 159.3 | 0 | 0 | 111.3 | H175 F192 | H175-E189 HydrophobicContact CB-CG 4.31Å; H175-E189 PolarHBondContact ND1-N 3.19Å; E189-F192 HydrophobicContact CB-CD2 4.25Å; E189-F192 WeakPolarHBondContact O-CB 3.39Å; E189-F192 PolarHBondContact O-N 2.96Å |
| 190 | P | 91.4 | Very high | 92.4 | Very high | 109 Ų | 109 | 67.8 Ų | 67.8 | 71% | 0.708 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 142.2 | 174.6 | -24.6 | 34.5 | 0 | 0 | 0 | 112.1 | F192 | P190-F192 VanDerWaalsContact C-N 3.32Å; P190-F192 WeakPolarHBondContact O-CD2 3.5Å |
| 191 | G | 90.6 | Very high | 92.4 | Very high | 21 Ų | 21 | 65.8 Ų | 65.8 | 22% | 0.216 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | 2.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | V204 | G191-V204 WeakPolarHBondContact O-CB 3.48Å; G191-V204 PolarHBondContact O-N 2.75Å |
| 192 | F | 94.6 | Very high | 92.5 | Very high | 30 Ų | 30 | 63.7 Ų | 63.7 | 13% | 0.132 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 149.6 | 178.2 | -61.3 | -91.2 | 0 | 0 | 0 | 111.8 | H175 C188 E189 P190 C201 V202 D203 Y221 | H175-F192 AromaticContact CE1-CD1 3.92Å; H175-F192 AromaticContact CE1-CD2 3.78Å; H175-F192 AromaticContact CE1-CG 3.67Å; C188-F192 HydrophobicContact CB-CB 3.75Å; E189-F192 HydrophobicContact CB-CD2 4.25Å; E189-F192 WeakPolarHBondContact O-CB 3.39Å; E189-F192 PolarHBondContact O-N 2.96Å; P190-F192 VanDerWaalsContact C-N 3.32Å; P190-F192 WeakPolarHBondContact O-CD2 3.5Å; F192-C201 HydrophobicContact CB-CB 4.1Å; F192-V202 CarbonylContact C-O 3.22Å; F192-V202 VanDerWaalsContact CA-O 3.31Å; F192-V202 WeakPolarHBondContact CA-O 3.35Å; F192-D203 HydrophobicContact CD1-CB 4.23Å; F192-D203 HydrophobicContact CE1-CB 4.02Å; F192-Y221 HydrophobicContact CE1-CD1 4.14Å; F192-Y221 HydrophobicContact CE1-CD2 4.06Å; F192-Y221 AromaticContact CE1-CE1 3.68Å; F192-Y221 HydrophobicContact CE1-CE1 3.68Å; F192-Y221 AromaticContact CE1-CE2 3.61Å; F192-Y221 HydrophobicContact CE1-CE2 3.61Å; F192-Y221 HydrophobicContact CE1-CG 4.31Å; F192-Y221 AromaticContact CE1-CZ 3.38Å; F192-Y221 HydrophobicContact CE2-CE1 4.41Å; F192-Y221 AromaticContact CZ-CD1 3.62Å; F192-Y221 HydrophobicContact CZ-CD1 3.62Å; F192-Y221 HydrophobicContact CZ-CD2 4.34Å; F192-Y221 AromaticContact CZ-CE1 3.31Å; F192-Y221 HydrophobicContact CZ-CE1 3.31Å; F192-Y221 HydrophobicContact CZ-CE2 4.1Å; F192-Y221 HydrophobicContact CZ-CG 4.12Å; F192-Y221 AromaticContact CZ-CZ 3.57Å |
| 193 | Q | 93.9 | Very high | 92.7 | Very high | 97 Ų | 97 | 64.6 Ų | 64.6 | 45% | 0.453 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 154.3 | 174.6 | 65.2 | -178.1 | 14.2 | 0 | 0 | 111 | G195 C201 V202 V204 | Q193-G195 PolarHBondContact O-N 3.39Å; Q193-C201 WeakPolarHBondContact O-CA 3.3Å; Q193-V202 HydrophobicContact CG-CG2 3.44Å; Q193-V202 VanDerWaalsContact CG-CG2 3.44Å; Q193-V202 PolarHBondContact N-O 2.83Å; Q193-V202 PolarHBondContact O-N 3.44Å; Q193-V204 HydrophobicContact CB-CG2 3.78Å; Q193-V204 HydrophobicContact CG-CG2 3.84Å |
| 194 | L | 94.7 | Very high | 92.8 | Very high | 72 Ų | 72 | 63 Ų | 63 | 38% | 0.377 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 127.3 | -178.5 | -162.1 | 70 | 0 | 0 | 0 | 109.9 | C186 N198 | C186-L194 HydrophobicContact CB-CD1 3.9Å; L194-N198 HydrophobicContact CD2-CB 3.96Å |
| 195 | G | 91 | Very high | 92.9 | Very high | 3 Ų | 3 | 63 Ų | 63 | 3% | 0.031 | 34% | 0.338 | C | S | . | . | trans | -72.5 | 172.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q193 N197 N198 S200 | Q193-G195 PolarHBondContact O-N 3.39Å; G195-N197 PolarHBondContact O-N 2.94Å; G195-N197 VanDerWaalsContact O-N 3.08Å; G195-N198 PolarHBondContact O-N 2.84Å; G195-S200 PolarHBondContact N-O 2.86Å | ||
| 196 | P | 91 | Very high | 93 | Very high | 138 Ų | 138 | 58.1 Ų | 58.1 | 90% | 0.896 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -20.4 | -173.8 | 24.5 | -34.2 | 0 | 0 | 0 | 114.3 | N198 | P196-N198 VanDerWaalsContact C-N 3.28Š|
| 197 | N | 89.4 | Confident | 93 | Very high | 80 Ų | 80 | 59.2 Ų | 59.2 | 43% | 0.428 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | 3.6 | 176.5 | 66.5 | -2.8 | 0 | 0 | 0 | 113.7 | G195 R199 S200 | G195-N197 PolarHBondContact O-N 2.94Å; G195-N197 VanDerWaalsContact O-N 3.08Å; N197-R199 WeakPolarHBondContact O-CG 3.23Å; N197-R199 PolarHBondContact O-N 3.18Å; N197-R199 PolarHBondContact OD1-N 3.02Å; N197-S200 PolarHBondContact ND2-OG 3.38Å; N197-S200 WeakPolarHBondContact OD1-CB 3.37Å; N197-S200 PolarHBondContact OD1-N 2.81Å |
| 198 | N | 89.3 | Confident | 93 | Very high | 110 Ų | 110 | 62.2 Ų | 62.2 | 59% | 0.588 | 35% | 0.346 | S | S | * | . | S | Bend | trans | 54.4 | 20 | -175.3 | -71.5 | -12 | 0 | 0 | 0 | 115.3 | C186 L194 G195 P196 | C186-N198 WeakPolarHBondContact CB-O 3.44Å; C186-N198 PolarHBondContact SG-O 3.48Å; L194-N198 HydrophobicContact CD2-CB 3.96Å; G195-N198 PolarHBondContact O-N 2.84Å; P196-N198 VanDerWaalsContact C-N 3.28Å |
| 199 | R | 89.4 | Confident | 92.8 | Very high | 94 Ų | 94 | 66.8 Ų | 66.8 | 36% | 0.355 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -133.4 | -36.8 | -173.2 | -69.2 | 167.1 | -177 | -97.6 | 7.6 | 113.5 | Y172 Q174 N197 | Y172-R199 VanDerWaalsContact CG-NH1 3.33Å; Q174-R199 PolarHBondContact N-O 2.91Å; N197-R199 WeakPolarHBondContact O-CG 3.23Å; N197-R199 PolarHBondContact O-N 3.18Å; N197-R199 PolarHBondContact OD1-N 3.02Å |
| 200 | S | 92.6 | Very high | 92.6 | Very high | 42 Ų | 42 | 65 Ų | 65 | 29% | 0.294 | 38% | 0.375 | S | S | . | . | trans | -87.8 | 152 | 176.8 | -61.5 | 0 | 0 | 0 | 0 | 110.7 | Q174 G195 N197 | Q174-S200 VanDerWaalsContact OE1-CA 3.31Å; G195-S200 PolarHBondContact N-O 2.86Å; N197-S200 PolarHBondContact ND2-OG 3.38Å; N197-S200 WeakPolarHBondContact OD1-CB 3.37Å; N197-S200 PolarHBondContact OD1-N 2.81Å | ||
| 201 | C | 94.2 | Very high | 92.6 | Very high | 7 Ų | 7 | 60.7 Ų | 60.7 | 5% | 0.047 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 121.1 | 175.9 | -68.1 | 0 | 0 | 0 | 0 | 108.4 | Q174 H175 C188 F192 Q193 | Q174-C201 PolarHBondContact NE2-O 3.37Å; Q174-C201 PolarHBondContact OE1-O 2.89Å; H175-C201 VanDerWaalsContact CE1-CB 3.42Å; H175-C201 WeakPolarHBondContact CE1-CB 3.4Å; H175-C201 VanDerWaalsContact ND1-CB 3.34Å; H175-C201 WeakPolarHBondContact ND1-CB 3.42Å; H175-C201 PolarHBondContact ND1-SG 3.4Å; C188-C201 WeakPolarHBondContact CA-SG 3.49Å; C188-C201 HydrophobicContact CB-CB 3.81Å; C188-C201 WeakPolarHBondContact CB-SG 3.43Å; C188-C201 VanDerWaalsContact SG-CA 3.52Å; C188-C201 WeakPolarHBondContact SG-CB 3.45Å; C188-C201 CovalentContact SG-SG 2.04Å; C188-C201 PolarHBondContact SG-SG 2.86Å; F192-C201 HydrophobicContact CB-CB 4.1Å; Q193-C201 WeakPolarHBondContact O-CA 3.3Å |
| 202 | V | 93.9 | Very high | 92.7 | Very high | 61 Ų | 61 | 63.8 Ų | 63.8 | 37% | 0.37 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 139 | 176.7 | -58.5 | 0 | 0 | 0 | 0 | 108.8 | F192 Q193 | F192-V202 CarbonylContact C-O 3.22Å; F192-V202 VanDerWaalsContact CA-O 3.31Å; F192-V202 WeakPolarHBondContact CA-O 3.35Å; Q193-V202 HydrophobicContact CG-CG2 3.44Å; Q193-V202 VanDerWaalsContact CG-CG2 3.44Å; Q193-V202 PolarHBondContact N-O 2.83Å; Q193-V202 PolarHBondContact O-N 3.44Å |
| 203 | D | 95.3 | Very high | 92.7 | Very high | 43 Ų | 43 | 63.4 Ų | 63.4 | 23% | 0.23 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 135.2 | 177.6 | -172.9 | 61 | 0 | 0 | 0 | 110.5 | F192 N219 G222 | F192-D203 HydrophobicContact CD1-CB 4.23Å; F192-D203 HydrophobicContact CE1-CB 4.02Å; D203-N219 PolarHBondContact OD2-ND2 2.82Å; D203-G222 PolarHBondContact OD1-N 3.48Å |
| 204 | V | 94.8 | Very high | 92.7 | Very high | 19 Ų | 19 | 64.1 Ų | 64.1 | 12% | 0.115 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -86.6 | 119 | 174.9 | 170.6 | 0 | 0 | 0 | 0 | 107.4 | G191 Q193 E206 M209 N219 | G191-V204 WeakPolarHBondContact O-CB 3.48Å; G191-V204 PolarHBondContact O-N 2.75Å; Q193-V204 HydrophobicContact CB-CG2 3.78Å; Q193-V204 HydrophobicContact CG-CG2 3.84Å; V204-E206 HydrophobicContact CG1-CG 4.35Å; V204-E206 PolarHBondContact O-N 3.41Å; V204-E206 VanDerWaalsContact O-OE2 3.07Å; V204-M209 HydrophobicContact CG1-CE 3.48Å; V204-M209 VanDerWaalsContact CG1-CE 3.48Å; V204-M209 HydrophobicContact CG1-SD 3.5Å; V204-M209 VanDerWaalsContact CG1-SD 3.5Å; V204-N219 PolarHBondContact O-OD1 3.25Å |
| 205 | N | 94.8 | Very high | 92.7 | Very high | 45 Ų | 45 | 62.9 Ų | 62.9 | 24% | 0.241 | 36% | 0.361 | C | S | . | . | trans | -77.4 | 94.5 | 172.7 | -173.3 | -8.5 | 0 | 0 | 0 | 110.2 | C207 D208 M209 N219 | N205-C207 PolarHBondContact O-N 2.98Å; N205-C207 VanDerWaalsContact OD1-CB 3.22Å; N205-C207 WeakPolarHBondContact OD1-CB 3.33Å; N205-C207 PolarHBondContact OD1-N 3.07Å; N205-D208 HydrophobicContact CB-CB 4.33Å; N205-D208 PolarHBondContact ND2-OD1 2.96Å; N205-D208 PolarHBondContact ND2-OD2 3.35Å; N205-D208 PolarHBondContact O-N 3.07Å; N205-D208 PolarHBondContact OD1-N 3.25Å; N205-M209 PolarHBondContact O-N 2.04Å; N205-N219 WeakPolarHBondContact OD1-CB 3.37Å | ||
| 206 | E | 94.8 | Very high | 92.9 | Very high | 33 Ų | 33 | 68.4 Ų | 68.4 | 15% | 0.154 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -22.9 | -180 | -58.6 | 90.5 | 168 | 0 | 0 | 112.4 | V204 M209 G210 A211 N219 F224 | V204-E206 HydrophobicContact CG1-CG 4.35Å; V204-E206 PolarHBondContact O-N 3.41Å; V204-E206 VanDerWaalsContact O-OE2 3.07Å; E206-M209 CarbonylContact O-C 3.48Å; E206-M209 PolarHBondContact O-N 2.8Å; E206-G210 PolarHBondContact O-N 3.12Å; E206-A211 HydrophobicContact CB-CB 4.46Å; E206-A211 WeakPolarHBondContact O-CB 3.48Å; E206-A211 PolarHBondContact O-N 2.7Å; E206-N219 PolarHBondContact OE2-OD1 2.8Å; E206-F224 HydrophobicContact CB-CB 4.15Å; E206-F224 HydrophobicContact CB-CD1 3.47Å; E206-F224 VanDerWaalsContact CB-CD1 3.47Å; E206-F224 HydrophobicContact CB-CE1 4.08Å; E206-F224 HydrophobicContact CB-CG 3.91Å; E206-F224 HydrophobicContact CG-CD1 3.66Å; E206-F224 HydrophobicContact CG-CE1 4.22Å; E206-F224 HydrophobicContact CG-CG 4.49Å; E206-F224 PolarHBondContact OE2-N 2.78Å |
| 207 | C | 95 | Very high | 93.2 | Very high | 33 Ų | 33 | 63.7 Ų | 63.7 | 22% | 0.223 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -39.5 | 175.8 | -55.6 | 0 | 0 | 0 | 0 | 112 | N205 M209 G210 C217 F218 N219 | N205-C207 PolarHBondContact O-N 2.98Å; N205-C207 VanDerWaalsContact OD1-CB 3.22Å; N205-C207 WeakPolarHBondContact OD1-CB 3.33Å; N205-C207 PolarHBondContact OD1-N 3.07Å; C207-M209 PolarHBondContact O-N 2.84Å; C207-G210 PolarHBondContact O-N 2.79Å; C207-C217 WeakPolarHBondContact CA-SG 3.41Å; C207-C217 HydrophobicContact CB-CB 3.69Å; C207-C217 WeakPolarHBondContact CB-SG 3.32Å; C207-C217 WeakPolarHBondContact SG-CB 3.03Å; C207-C217 CovalentContact SG-SG 2.04Å; C207-C217 PolarHBondContact SG-SG 3.43Å; C207-F218 VanDerWaalsContact SG-C 3.5Å; C207-F218 PolarHBondContact SG-N 3.12Å; C207-F218 VanDerWaalsContact SG-N 3.44Å; C207-N219 PolarHBondContact SG-N 2.87Å |
| 208 | D | 94.6 | Very high | 93.5 | Very high | 134 Ų | 134 | 63.3 Ų | 63.3 | 72% | 0.717 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -23.1 | 176.9 | -65.4 | -17.6 | 0 | 0 | 0 | 111.7 | N205 G210 | N205-D208 HydrophobicContact CB-CB 4.33Å; N205-D208 PolarHBondContact ND2-OD1 2.96Å; N205-D208 PolarHBondContact ND2-OD2 3.35Å; N205-D208 PolarHBondContact O-N 3.07Å; N205-D208 PolarHBondContact OD1-N 3.25Å; D208-G210 VanDerWaalsContact C-N 3.31Å |
| 209 | M | 90.2 | Very high | 93.7 | Very high | 129 Ų | 129 | 61 Ų | 61 | 64% | 0.635 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | 3.2 | 177.3 | -61.9 | -169.9 | 178.1 | 0 | 0 | 113.8 | V204 N205 E206 C207 | V204-M209 HydrophobicContact CG1-CE 3.48Å; V204-M209 VanDerWaalsContact CG1-CE 3.48Å; V204-M209 HydrophobicContact CG1-SD 3.5Å; V204-M209 VanDerWaalsContact CG1-SD 3.5Å; N205-M209 PolarHBondContact O-N 2.04Å; E206-M209 CarbonylContact O-C 3.48Å; E206-M209 PolarHBondContact O-N 2.8Å; C207-M209 PolarHBondContact O-N 2.84Å |
| 210 | G | 89.2 | Confident | 93.9 | Very high | 64 Ų | 64 | 58.7 Ų | 58.7 | 66% | 0.66 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.7 | 50.1 | 180 | 0 | 0 | 0 | 0 | 0 | 113.3 | E206 C207 D208 | E206-G210 PolarHBondContact O-N 3.12Å; C207-G210 PolarHBondContact O-N 2.79Å; D208-G210 VanDerWaalsContact C-N 3.31Å |
| 211 | A | 91.8 | Very high | 93.9 | Very high | 20 Ų | 20 | 64.3 Ų | 64.3 | 17% | 0.165 | 35% | 0.348 | C | S | . | . | trans | -47.5 | 145.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E206 C213 C217 F224 | E206-A211 HydrophobicContact CB-CB 4.46Å; E206-A211 WeakPolarHBondContact O-CB 3.48Å; E206-A211 PolarHBondContact O-N 2.7Å; A211-C213 PolarHBondContact O-N 2.96Å; A211-C217 HydrophobicContact CB-CB 4.39Å; A211-C217 WeakPolarHBondContact CB-SG 3.48Å; A211-F224 HydrophobicContact CB-CD2 3.76Å; A211-F224 HydrophobicContact CB-CE2 3.72Å; A211-F224 HydrophobicContact CB-CG 4.32Å; A211-F224 HydrophobicContact CB-CZ 4.26Å | ||
| 212 | P | 91.8 | Very high | 93.7 | Very high | 85 Ų | 85 | 65.1 Ų | 65.1 | 55% | 0.552 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -73.7 | 23.9 | -175.7 | 32.5 | -38.2 | 0 | 0 | 0 | 114.3 | F224 F239 | P212-F224 HydrophobicContact CG-CE2 4.35Å; P212-F224 HydrophobicContact CG-CZ 4.09Å; P212-F239 HydrophobicContact CB-CD1 4.33Å; P212-F239 HydrophobicContact CG-CD1 3.67Å; P212-F239 HydrophobicContact CG-CE1 3.67Å; P212-F239 HydrophobicContact CG-CG 4.34Å; P212-F239 HydrophobicContact CG-CZ 4.3Å |
| 213 | C | 94.3 | Very high | 93.7 | Very high | 23 Ų | 23 | 65.6 Ų | 65.6 | 16% | 0.155 | 36% | 0.361 | C | S | . | . | trans | -71.9 | 129.4 | 177.7 | -58.8 | 0 | 0 | 0 | 0 | 110.6 | A211 Q215 C217 C226 | A211-C213 PolarHBondContact O-N 2.96Å; C213-Q215 VanDerWaalsContact C-N 3.31Å; C213-Q215 PolarHBondContact O-N 2.85Å; C213-C217 HydrophobicContact CB-CB 4.1Å; C213-C217 VanDerWaalsContact SG-CB 3.56Å; C213-C226 WeakPolarHBondContact CA-SG 3.44Å; C213-C226 HydrophobicContact CB-CB 3.66Å; C213-C226 WeakPolarHBondContact CB-SG 3.43Å; C213-C226 WeakPolarHBondContact SG-CA 3.41Å; C213-C226 WeakPolarHBondContact SG-CB 3.44Å; C213-C226 CovalentContact SG-SG 2.03Å; C213-C226 PolarHBondContact SG-SG 3.35Å | ||
| 214 | E | 95.3 | Very high | 93.6 | Very high | 111 Ų | 111 | 65.7 Ų | 65.7 | 52% | 0.519 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -64.4 | -38.1 | 176.9 | -172.6 | -171.9 | 141.1 | 0 | 0 | 112.1 | F239 S240 C241 | E214-F239 WeakPolarHBondContact CB-O 3.21Å; E214-F239 PolarHBondContact N-O 3.01Å; E214-S240 WeakPolarHBondContact OE2-CA 3.02Å; E214-C241 PolarHBondContact OE2-N 2.86Å |
| 215 | Q | 94.6 | Very high | 93.5 | Very high | 46 Ų | 46 | 69.3 Ų | 69.3 | 22% | 0.215 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -120.8 | -76 | -169.5 | -68.9 | -170.2 | 5.5 | 0 | 0 | 113.2 | C213 H229 C241 | C213-Q215 VanDerWaalsContact C-N 3.31Å; C213-Q215 PolarHBondContact O-N 2.85Å; Q215-H229 VanDerWaalsContact CD-ND1 3.35Å; Q215-H229 PolarHBondContact OE1-ND1 3.02Å; Q215-C241 VanDerWaalsContact CD-CB 3.43Å; Q215-C241 HydrophobicContact CG-CB 3.92Å; Q215-C241 VanDerWaalsContact NE2-CB 3.35Å |
| 216 | R | 95.7 | Very high | 93.6 | Very high | 119 Ų | 119 | 67.3 Ų | 67.3 | 45% | 0.449 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 132.5 | -177.9 | -57.6 | 176.2 | 55.4 | 138.3 | 3.4 | 110.6 | F218 C226 R227 | R216-F218 HydrophobicContact CB-CD2 4.46Å; R216-F218 HydrophobicContact CB-CE2 3.78Å; R216-F218 VanDerWaalsContact NH2-CZ 3.34Å; R216-C226 CarbonylContact O-C 3.28Å; R216-C226 VanDerWaalsContact O-CA 3.3Å; R216-C226 WeakPolarHBondContact O-CA 3.45Å; R216-R227 VanDerWaalsContact CB-O 3.3Å; R216-R227 WeakPolarHBondContact CB-O 3.34Å; R216-R227 PolarHBondContact N-O 2.9Å; R216-R227 VanDerWaalsContact N-O 3.07Å; R216-R227 PolarHBondContact O-N 2.73Å |
| 217 | C | 96.6 | Very high | 93.6 | Very high | 39 Ų | 39 | 72.7 Ų | 72.7 | 26% | 0.264 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 141.2 | 171.9 | -173.9 | 0 | 0 | 0 | 0 | 110.3 | C207 A211 C213 | C207-C217 WeakPolarHBondContact CA-SG 3.41Å; C207-C217 HydrophobicContact CB-CB 3.69Å; C207-C217 WeakPolarHBondContact CB-SG 3.32Å; C207-C217 WeakPolarHBondContact SG-CB 3.03Å; C207-C217 CovalentContact SG-SG 2.04Å; C207-C217 PolarHBondContact SG-SG 3.43Å; A211-C217 HydrophobicContact CB-CB 4.39Å; A211-C217 WeakPolarHBondContact CB-SG 3.48Å; C213-C217 HydrophobicContact CB-CB 4.1Å; C213-C217 VanDerWaalsContact SG-CB 3.56Å |
| 218 | F | 95.3 | Very high | 93.7 | Very high | 72 Ų | 72 | 72.3 Ų | 72.3 | 32% | 0.316 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 118.7 | 173.1 | -68.4 | -96.5 | 0 | 0 | 0 | 108.7 | C207 R216 F224 L225 R227 | C207-F218 VanDerWaalsContact SG-C 3.5Å; C207-F218 PolarHBondContact SG-N 3.12Å; C207-F218 VanDerWaalsContact SG-N 3.44Å; R216-F218 HydrophobicContact CB-CD2 4.46Å; R216-F218 HydrophobicContact CB-CE2 3.78Å; R216-F218 VanDerWaalsContact NH2-CZ 3.34Å; F218-F224 CarbonylContact O-C 3.57Å; F218-F224 WeakPolarHBondContact O-CA 3.46Å; F218-L225 PolarHBondContact N-O 3.26Å; F218-L225 PolarHBondContact O-N 2.91Å; F218-R227 HydrophobicContact CD2-CB 4.08Å; F218-R227 HydrophobicContact CD2-CG 3.77Å; F218-R227 HydrophobicContact CE2-CB 3.76Å; F218-R227 HydrophobicContact CE2-CG 3.86Å |
| 219 | N | 94.4 | Very high | 93.8 | Very high | 61 Ų | 61 | 70.3 Ų | 70.3 | 33% | 0.326 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 140.1 | 174.1 | -167.6 | 43.4 | 0 | 0 | 0 | 110.1 | D203 V204 N205 E206 C207 | D203-N219 PolarHBondContact OD2-ND2 2.82Å; V204-N219 PolarHBondContact O-OD1 3.25Å; N205-N219 WeakPolarHBondContact OD1-CB 3.37Å; E206-N219 PolarHBondContact OE2-OD1 2.8Å; C207-N219 PolarHBondContact SG-N 2.87Å |
| 220 | S | 92.8 | Very high | 94 | Very high | 46 Ų | 46 | 73.1 Ų | 73.1 | 32% | 0.322 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 165.8 | 175 | 62.5 | 0 | 0 | 0 | 0 | 109.7 | G222 T223 | S220-G222 PolarHBondContact O-N 2.71Å; S220-T223 CarbonylContact C-O 3.6Å; S220-T223 WeakPolarHBondContact CA-O 3.15Å; S220-T223 WeakPolarHBondContact CB-O 3.38Å; S220-T223 PolarHBondContact N-O 3.39Å; S220-T223 CarbonylContact O-C 3.51Å; S220-T223 PolarHBondContact O-N 2.83Å; S220-T223 WeakPolarHBondContact OG-CG2 3.1Å; S220-T223 PolarHBondContact OG-O 2.82Å |
| 221 | Y | 92.8 | Very high | 94.3 | Very high | 160 Ų | 160 | 70.7 Ų | 70.7 | 63% | 0.627 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | 112.8 | -174.6 | -169.6 | -92.9 | 0 | 0 | 0 | 111.2 | F192 | F192-Y221 HydrophobicContact CE1-CD1 4.14Å; F192-Y221 HydrophobicContact CE1-CD2 4.06Å; F192-Y221 AromaticContact CE1-CE1 3.68Å; F192-Y221 HydrophobicContact CE1-CE1 3.68Å; F192-Y221 AromaticContact CE1-CE2 3.61Å; F192-Y221 HydrophobicContact CE1-CE2 3.61Å; F192-Y221 HydrophobicContact CE1-CG 4.31Å; F192-Y221 AromaticContact CE1-CZ 3.38Å; F192-Y221 HydrophobicContact CE2-CE1 4.41Å; F192-Y221 AromaticContact CZ-CD1 3.62Å; F192-Y221 HydrophobicContact CZ-CD1 3.62Å; F192-Y221 HydrophobicContact CZ-CD2 4.34Å; F192-Y221 AromaticContact CZ-CE1 3.31Å; F192-Y221 HydrophobicContact CZ-CE1 3.31Å; F192-Y221 HydrophobicContact CZ-CE2 4.1Å; F192-Y221 HydrophobicContact CZ-CG 4.12Å; F192-Y221 AromaticContact CZ-CZ 3.57Å |
| 222 | G | 90.3 | Very high | 94.5 | Very high | 24 Ų | 24 | 72.6 Ų | 72.6 | 25% | 0.247 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | 6.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | D203 S220 | D203-G222 PolarHBondContact OD1-N 3.48Å; S220-G222 PolarHBondContact O-N 2.71Å |
| 223 | T | 92.6 | Very high | 94.6 | Very high | 72 Ų | 72 | 72.9 Ų | 72.9 | 44% | 0.442 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.5 | 171.1 | 179.6 | -172.9 | 0 | 0 | 0 | 0 | 110.6 | S220 | S220-T223 CarbonylContact C-O 3.6Å; S220-T223 WeakPolarHBondContact CA-O 3.15Å; S220-T223 WeakPolarHBondContact CB-O 3.38Å; S220-T223 PolarHBondContact N-O 3.39Å; S220-T223 CarbonylContact O-C 3.51Å; S220-T223 PolarHBondContact O-N 2.83Å; S220-T223 WeakPolarHBondContact OG-CG2 3.1Å; S220-T223 PolarHBondContact OG-O 2.82Å |
| 224 | F | 93.9 | Very high | 94.7 | Very high | 45 Ų | 45 | 75.1 Ų | 75.1 | 20% | 0.197 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 165.3 | 166.9 | 67.1 | -75 | 0 | 0 | 0 | 111.8 | E206 A211 P212 F218 F239 | E206-F224 HydrophobicContact CB-CB 4.15Å; E206-F224 HydrophobicContact CB-CD1 3.47Å; E206-F224 VanDerWaalsContact CB-CD1 3.47Å; E206-F224 HydrophobicContact CB-CE1 4.08Å; E206-F224 HydrophobicContact CB-CG 3.91Å; E206-F224 HydrophobicContact CG-CD1 3.66Å; E206-F224 HydrophobicContact CG-CE1 4.22Å; E206-F224 HydrophobicContact CG-CG 4.49Å; E206-F224 PolarHBondContact OE2-N 2.78Å; A211-F224 HydrophobicContact CB-CD2 3.76Å; A211-F224 HydrophobicContact CB-CE2 3.72Å; A211-F224 HydrophobicContact CB-CG 4.32Å; A211-F224 HydrophobicContact CB-CZ 4.26Å; P212-F224 HydrophobicContact CG-CE2 4.35Å; P212-F224 HydrophobicContact CG-CZ 4.09Å; F218-F224 CarbonylContact O-C 3.57Å; F218-F224 WeakPolarHBondContact O-CA 3.46Å; F224-F239 HydrophobicContact CE2-CD1 4.32Å; F224-F239 AromaticContact CE2-CE1 3.77Å; F224-F239 HydrophobicContact CE2-CE1 3.77Å; F224-F239 AromaticContact CZ-CE1 3.72Å; F224-F239 HydrophobicContact CZ-CE1 3.72Å |
| 225 | L | 93.7 | Very high | 94.7 | Very high | 95 Ų | 95 | 74.5 Ų | 74.5 | 50% | 0.497 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 133.5 | 172.4 | 178.9 | 65.5 | 0 | 0 | 0 | 110.2 | F218 R227 | F218-L225 PolarHBondContact N-O 3.26Å; F218-L225 PolarHBondContact O-N 2.91Å; L225-R227 HydrophobicContact CD2-CG 4.25Å; L225-R227 HydrophobicContact CG-CG 4.3Å |
| 226 | C | 96.1 | Very high | 94.6 | Very high | 3 Ų | 3 | 83.9 Ų | 83.9 | 2% | 0.02 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 143.1 | 168.8 | -51.9 | 0 | 0 | 0 | 0 | 111.1 | C213 R216 L234 G238 F239 | C213-C226 WeakPolarHBondContact CA-SG 3.44Å; C213-C226 HydrophobicContact CB-CB 3.66Å; C213-C226 WeakPolarHBondContact CB-SG 3.43Å; C213-C226 WeakPolarHBondContact SG-CA 3.41Å; C213-C226 WeakPolarHBondContact SG-CB 3.44Å; C213-C226 CovalentContact SG-SG 2.03Å; C213-C226 PolarHBondContact SG-SG 3.35Å; R216-C226 CarbonylContact O-C 3.28Å; R216-C226 VanDerWaalsContact O-CA 3.3Å; R216-C226 WeakPolarHBondContact O-CA 3.45Å; C226-L234 HydrophobicContact CB-CD1 4.2Å; C226-L234 WeakPolarHBondContact O-CD2 3.22Å; C226-G238 VanDerWaalsContact CB-O 3.31Å; C226-G238 WeakPolarHBondContact CB-O 3.41Å; C226-F239 VanDerWaalsContact SG-CD1 3.56Å |
| 227 | R | 95.6 | Very high | 94.4 | Very high | 145 Ų | 145 | 81.5 Ų | 81.5 | 55% | 0.547 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 151.4 | 172.5 | -56.7 | -178.6 | 62 | 178.6 | 0.8 | 109.9 | R216 F218 L225 | R216-R227 VanDerWaalsContact CB-O 3.3Å; R216-R227 WeakPolarHBondContact CB-O 3.34Å; R216-R227 PolarHBondContact N-O 2.9Å; R216-R227 VanDerWaalsContact N-O 3.07Å; R216-R227 PolarHBondContact O-N 2.73Å; F218-R227 HydrophobicContact CD2-CB 4.08Å; F218-R227 HydrophobicContact CD2-CG 3.77Å; F218-R227 HydrophobicContact CE2-CB 3.76Å; F218-R227 HydrophobicContact CE2-CG 3.86Å; L225-R227 HydrophobicContact CD2-CG 4.25Å; L225-R227 HydrophobicContact CG-CG 4.3Å |
| 228 | C | 96.9 | Very high | 94.2 | Very high | 26 Ų | 26 | 80.9 Ų | 80.9 | 18% | 0.176 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -92.7 | 159.1 | 177.8 | -51.2 | 0 | 0 | 0 | 0 | 111.6 | E233 L234 C241 | C228-E233 VanDerWaalsContact SG-C 3.59Å; C228-L234 VanDerWaalsContact SG-CA 3.54Å; C228-C241 WeakPolarHBondContact CA-SG 3.47Å; C228-C241 HydrophobicContact CB-CB 3.77Å; C228-C241 WeakPolarHBondContact CB-SG 3.48Å; C228-C241 VanDerWaalsContact SG-CA 3.52Å; C228-C241 WeakPolarHBondContact SG-CB 3.43Å; C228-C241 CovalentContact SG-SG 2.03Å; C228-C241 PolarHBondContact SG-SG 3.45Å |
| 229 | H | 95.9 | Very high | 94.1 | Very high | 91 Ų | 91 | 81.2 Ų | 81.2 | 42% | 0.421 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -64 | 166.3 | 168 | -63.6 | 91.9 | 0 | 0 | 0 | 110.4 | Q215 G231 Y232 | Q215-H229 VanDerWaalsContact CD-ND1 3.35Å; Q215-H229 PolarHBondContact OE1-ND1 3.02Å; H229-G231 PolarHBondContact O-N 3.17Å; H229-Y232 HydrophobicContact CB-CD2 4.2Å; H229-Y232 PolarHBondContact O-N 3.32Å |
| 230 | Q | 95.3 | Very high | 94.2 | Very high | 189 Ų | 189 | 80.5 Ų | 80.5 | 88% | 0.883 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 138.3 | 173.2 | -173.3 | 173.9 | 17.5 | 0 | 0 | 110.3 | ||
| 231 | G | 94.4 | Very high | 94.4 | Very high | 13 Ų | 13 | 78.9 Ų | 78.9 | 13% | 0.134 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | 2.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | H229 I244 | H229-G231 PolarHBondContact O-N 3.17Å; G231-I244 WeakPolarHBondContact O-CB 3.19Å; G231-I244 WeakPolarHBondContact O-CG1 3.32Å; G231-I244 PolarHBondContact O-N 3.26Å |
| 232 | Y | 96.6 | Very high | 94.5 | Very high | 59 Ų | 59 | 73.1 Ų | 73.1 | 23% | 0.231 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 148.9 | 177.2 | -66.4 | -99.6 | 0 | 0 | 0 | 110.8 | H229 C241 S242 D243 P262 G263 | H229-Y232 HydrophobicContact CB-CD2 4.2Å; H229-Y232 PolarHBondContact O-N 3.32Å; Y232-C241 HydrophobicContact CD1-CB 4.44Å; Y232-S242 CarbonylContact C-O 3.59Å; Y232-S242 VanDerWaalsContact CA-O 3.27Å; Y232-S242 WeakPolarHBondContact CA-O 3.38Å; Y232-D243 HydrophobicContact CD1-CB 4.19Å; Y232-D243 HydrophobicContact CE1-CB 3.97Å; Y232-P262 VanDerWaalsContact OH-C 3.27Å; Y232-P262 VanDerWaalsContact OH-CB 3.25Å; Y232-P262 WeakPolarHBondContact OH-CB 3.29Å; Y232-G263 PolarHBondContact OH-N 2.03Å |
| 233 | E | 94.9 | Very high | 94.8 | Very high | 91 Ų | 91 | 74.2 Ų | 74.2 | 43% | 0.425 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 145.5 | 173 | 62.9 | 173.4 | -166.5 | 0 | 0 | 111.4 | C228 H235 C241 S242 I244 | C228-E233 VanDerWaalsContact SG-C 3.59Å; E233-H235 PolarHBondContact O-N 3.04Å; E233-C241 WeakPolarHBondContact O-CA 3.29Å; E233-S242 WeakPolarHBondContact CG-OG 3.09Å; E233-S242 PolarHBondContact N-O 2.04Å; E233-S242 PolarHBondContact O-N 3.41Å; E233-I244 HydrophobicContact CB-CD1 4.23Å; E233-I244 HydrophobicContact CB-CG1 3.95Å; E233-I244 HydrophobicContact CG-CG1 4.09Å |
| 234 | L | 95.7 | Very high | 94.9 | Very high | 70 Ų | 70 | 73 Ų | 73 | 37% | 0.366 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 126.2 | 178.8 | -168.3 | 70.8 | 0 | 0 | 0 | 109.3 | C226 C228 | C226-L234 HydrophobicContact CB-CD1 4.2Å; C226-L234 WeakPolarHBondContact O-CD2 3.22Å; C228-L234 VanDerWaalsContact SG-CA 3.54Å |
| 235 | H | 94.3 | Very high | 95 | Very high | 98 Ų | 98 | 73.9 Ų | 73.9 | 45% | 0.454 | 36% | 0.36 | S | S | . | . | trans | -67.3 | 165 | 177.7 | -167.1 | 72.8 | 0 | 0 | 0 | 111.4 | E233 D237 G238 S240 | E233-H235 PolarHBondContact O-N 3.04Å; H235-D237 WeakPolarHBondContact CB-OD1 3.38Å; H235-D237 IonicContact CD2-OD1 3.75Å; H235-D237 IonicContact CD2-OD2 2.97Å; H235-D237 IonicContact CG-OD1 3.66Å; H235-D237 PolarHBondContact O-N 3.22Å; H235-D237 VanDerWaalsContact O-N 3.15Å; H235-G238 PolarHBondContact O-N 3.23Å; H235-S240 VanDerWaalsContact CB-O 3.3Å; H235-S240 WeakPolarHBondContact CB-O 3.23Å; H235-S240 PolarHBondContact N-O 3.12Å | ||
| 236 | R | 92.6 | Very high | 95.1 | Very high | 244 Ų | 244 | 71 Ų | 71 | 92% | 0.921 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -18.9 | -177.4 | -65.6 | -176.7 | -171.7 | -88.2 | -2.9 | 114 | G238 | R236-G238 PolarHBondContact O-N 3.25Š|
| 237 | D | 92.4 | Very high | 95 | Very high | 69 Ų | 69 | 72.4 Ų | 72.4 | 37% | 0.369 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -17 | 174.3 | 62.4 | 3.8 | 0 | 0 | 0 | 112.3 | H235 F239 S240 | H235-D237 WeakPolarHBondContact CB-OD1 3.38Å; H235-D237 IonicContact CD2-OD1 3.75Å; H235-D237 IonicContact CD2-OD2 2.97Å; H235-D237 IonicContact CG-OD1 3.66Å; H235-D237 PolarHBondContact O-N 3.22Å; H235-D237 VanDerWaalsContact O-N 3.15Å; D237-F239 VanDerWaalsContact C-N 3.28Å; D237-F239 HydrophobicContact CB-CD2 4.31Å; D237-F239 WeakPolarHBondContact O-CD2 3.19Å; D237-F239 WeakPolarHBondContact O-CE2 3.49Å; D237-F239 PolarHBondContact OD1-N 3.33Å; D237-S240 PolarHBondContact OD1-N 3.11Å; D237-S240 VanDerWaalsContact OD2-CB 3.29Å; D237-S240 WeakPolarHBondContact OD2-CB 3.07Å; D237-S240 PolarHBondContact OD2-OG 2.7Å |
| 238 | G | 91.9 | Very high | 95 | Very high | 26 Ų | 26 | 69.5 Ų | 69.5 | 27% | 0.268 | 36% | 0.355 | S | S | . | . | S | Bend | trans | 78.8 | 7.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | C226 H235 R236 | C226-G238 VanDerWaalsContact CB-O 3.31Å; C226-G238 WeakPolarHBondContact CB-O 3.41Å; H235-G238 PolarHBondContact O-N 3.23Å; R236-G238 PolarHBondContact O-N 3.25Å |
| 239 | F | 94.1 | Very high | 94.6 | Very high | 79 Ų | 79 | 75.8 Ų | 75.8 | 35% | 0.346 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -128.5 | -39.8 | -172.2 | -59.7 | -62.9 | 0 | 0 | 0 | 113.4 | P212 E214 F224 C226 D237 | P212-F239 HydrophobicContact CB-CD1 4.33Å; P212-F239 HydrophobicContact CG-CD1 3.67Å; P212-F239 HydrophobicContact CG-CE1 3.67Å; P212-F239 HydrophobicContact CG-CG 4.34Å; P212-F239 HydrophobicContact CG-CZ 4.3Å; E214-F239 WeakPolarHBondContact CB-O 3.21Å; E214-F239 PolarHBondContact N-O 3.01Å; F224-F239 HydrophobicContact CE2-CD1 4.32Å; F224-F239 AromaticContact CE2-CE1 3.77Å; F224-F239 HydrophobicContact CE2-CE1 3.77Å; F224-F239 AromaticContact CZ-CE1 3.72Å; F224-F239 HydrophobicContact CZ-CE1 3.72Å; C226-F239 VanDerWaalsContact SG-CD1 3.56Å; D237-F239 VanDerWaalsContact C-N 3.28Å; D237-F239 HydrophobicContact CB-CD2 4.31Å; D237-F239 WeakPolarHBondContact O-CD2 3.19Å; D237-F239 WeakPolarHBondContact O-CE2 3.49Å; D237-F239 PolarHBondContact OD1-N 3.33Å |
| 240 | S | 95.6 | Very high | 94.2 | Very high | 45 Ų | 45 | 73.5 Ų | 73.5 | 32% | 0.315 | 37% | 0.371 | S | S | . | . | trans | -90.1 | 152.5 | -175.9 | -50.7 | 0 | 0 | 0 | 0 | 111.2 | E214 H235 D237 | E214-S240 WeakPolarHBondContact OE2-CA 3.02Å; H235-S240 VanDerWaalsContact CB-O 3.3Å; H235-S240 WeakPolarHBondContact CB-O 3.23Å; H235-S240 PolarHBondContact N-O 3.12Å; D237-S240 PolarHBondContact OD1-N 3.11Å; D237-S240 VanDerWaalsContact OD2-CB 3.29Å; D237-S240 WeakPolarHBondContact OD2-CB 3.07Å; D237-S240 PolarHBondContact OD2-OG 2.7Å | ||
| 241 | C | 96.5 | Very high | 93.8 | Very high | 12 Ų | 12 | 69 Ų | 69 | 8% | 0.081 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 119.3 | -178.4 | -70.7 | 0 | 0 | 0 | 0 | 110.3 | E214 Q215 C228 Y232 E233 | E214-C241 PolarHBondContact OE2-N 2.86Å; Q215-C241 VanDerWaalsContact CD-CB 3.43Å; Q215-C241 HydrophobicContact CG-CB 3.92Å; Q215-C241 VanDerWaalsContact NE2-CB 3.35Å; C228-C241 WeakPolarHBondContact CA-SG 3.47Å; C228-C241 HydrophobicContact CB-CB 3.77Å; C228-C241 WeakPolarHBondContact CB-SG 3.48Å; C228-C241 VanDerWaalsContact SG-CA 3.52Å; C228-C241 WeakPolarHBondContact SG-CB 3.43Å; C228-C241 CovalentContact SG-SG 2.03Å; C228-C241 PolarHBondContact SG-SG 3.45Å; Y232-C241 HydrophobicContact CD1-CB 4.44Å; E233-C241 WeakPolarHBondContact O-CA 3.29Å |
| 242 | S | 95.2 | Very high | 93.6 | Very high | 40 Ų | 40 | 78.4 Ų | 78.4 | 28% | 0.28 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 139.5 | 173.3 | 44.6 | 0 | 0 | 0 | 0 | 110.7 | Y232 E233 | Y232-S242 CarbonylContact C-O 3.59Å; Y232-S242 VanDerWaalsContact CA-O 3.27Å; Y232-S242 WeakPolarHBondContact CA-O 3.38Å; E233-S242 WeakPolarHBondContact CG-OG 3.09Å; E233-S242 PolarHBondContact N-O 2.04Å; E233-S242 PolarHBondContact O-N 3.41Å |
| 243 | D | 96.9 | Very high | 93.4 | Very high | 46 Ų | 46 | 77.6 Ų | 77.6 | 25% | 0.246 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 137 | 171.9 | -178.7 | 59.7 | 0 | 0 | 0 | 110.9 | Y232 D245 N260 G263 | Y232-D243 HydrophobicContact CD1-CB 4.19Å; Y232-D243 HydrophobicContact CE1-CB 3.97Å; D243-D245 PolarHBondContact O-N 2.03Å; D243-N260 PolarHBondContact OD2-ND2 2.81Å; D243-G263 PolarHBondContact OD1-N 3.32Å |
| 244 | I | 95.4 | Very high | 93.3 | Very high | 46 Ų | 46 | 73.9 Ų | 73.9 | 24% | 0.236 | 38% | 0.377 | C | S | . | . | trans | -84.7 | 109.9 | 177.2 | -61.8 | 172.7 | 0 | 0 | 0 | 107.4 | G231 E233 E246 Y249 N260 | G231-I244 WeakPolarHBondContact O-CB 3.19Å; G231-I244 WeakPolarHBondContact O-CG1 3.32Å; G231-I244 PolarHBondContact O-N 3.26Å; E233-I244 HydrophobicContact CB-CD1 4.23Å; E233-I244 HydrophobicContact CB-CG1 3.95Å; E233-I244 HydrophobicContact CG-CG1 4.09Å; I244-E246 VanDerWaalsContact C-N 3.32Å; I244-E246 HydrophobicContact CG2-CG 4.24Å; I244-E246 PolarHBondContact O-N 2.85Å; I244-Y249 HydrophobicContact CG2-CD2 4.03Å; I244-Y249 HydrophobicContact CG2-CE2 3.63Å; I244-N260 PolarHBondContact O-OD1 2.98Å | ||
| 245 | D | 95.4 | Very high | 93.3 | Very high | 64 Ų | 64 | 73.9 Ų | 73.9 | 34% | 0.342 | 38% | 0.375 | S | S | . | . | trans | -73.2 | 85.9 | 175.5 | -175.8 | -15.2 | 0 | 0 | 0 | 111 | D243 C247 S248 Y249 | D243-D245 PolarHBondContact O-N 2.03Å; D245-C247 PolarHBondContact O-N 2.76Å; D245-C247 WeakPolarHBondContact OD1-CB 3.48Å; D245-C247 PolarHBondContact OD1-N 3.29Å; D245-S248 WeakPolarHBondContact O-CB 3.05Å; D245-S248 PolarHBondContact O-N 2.94Å; D245-S248 PolarHBondContact O-OG 2.81Å; D245-S248 PolarHBondContact OD1-N 3.34Å; D245-Y249 WeakPolarHBondContact O-CD2 3.19Å; D245-Y249 PolarHBondContact O-N 2.86Å | ||
| 246 | E | 95.1 | Very high | 93.2 | Very high | 34 Ų | 34 | 74.1 Ų | 74.1 | 16% | 0.159 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.2 | -32.2 | -175.9 | -56 | 102.4 | 152.1 | 0 | 0 | 111.6 | I244 S248 Y249 S250 L253 N260 F265 | I244-E246 VanDerWaalsContact C-N 3.32Å; I244-E246 HydrophobicContact CG2-CG 4.24Å; I244-E246 PolarHBondContact O-N 2.85Å; E246-S248 PolarHBondContact O-N 3.43Å; E246-Y249 PolarHBondContact O-N 3.11Å; E246-Y249 VanDerWaalsContact O-N 3.11Å; E246-S250 PolarHBondContact O-N 3.07Å; E246-L253 VanDerWaalsContact C-CD1 3.47Å; E246-L253 HydrophobicContact CB-CD1 3.79Å; E246-L253 WeakPolarHBondContact O-CD1 3.25Å; E246-N260 PolarHBondContact OE2-OD1 3.49Å; E246-N260 VanDerWaalsContact OE2-OD1 3.12Å; E246-F265 HydrophobicContact CB-CB 4.44Å; E246-F265 HydrophobicContact CB-CD1 3.73Å; E246-F265 HydrophobicContact CB-CE1 4.27Å; E246-F265 HydrophobicContact CB-CG 4.21Å; E246-F265 HydrophobicContact CG-CD1 3.86Å; E246-F265 HydrophobicContact CG-CE1 4.38Å; E246-F265 WeakPolarHBondContact OE2-CB 3.4Å; E246-F265 PolarHBondContact OE2-N 2.7Å |
| 247 | C | 95.1 | Very high | 93.3 | Very high | 33 Ų | 33 | 70 Ų | 70 | 22% | 0.223 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64 | -29.2 | 177.8 | -58.6 | 0 | 0 | 0 | 0 | 112.6 | D245 C258 V259 N260 | D245-C247 PolarHBondContact O-N 2.76Å; D245-C247 WeakPolarHBondContact OD1-CB 3.48Å; D245-C247 PolarHBondContact OD1-N 3.29Å; C247-C258 WeakPolarHBondContact CA-SG 3.04Å; C247-C258 HydrophobicContact CB-CB 3.75Å; C247-C258 WeakPolarHBondContact CB-SG 3.41Å; C247-C258 WeakPolarHBondContact SG-CB 3.21Å; C247-C258 CovalentContact SG-SG 2.04Å; C247-C258 PolarHBondContact SG-SG 2.61Å; C247-V259 PolarHBondContact SG-N 3.15Å; C247-V259 VanDerWaalsContact SG-N 3.43Å; C247-N260 PolarHBondContact SG-N 2.92Å; C247-N260 VanDerWaalsContact SG-N 3.35Å |
| 248 | S | 94.4 | Very high | 93.5 | Very high | 84 Ų | 84 | 68.5 Ų | 68.5 | 59% | 0.587 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -75.9 | -28.6 | 174.3 | 78 | 0 | 0 | 0 | 0 | 113.4 | D245 E246 | D245-S248 WeakPolarHBondContact O-CB 3.05Å; D245-S248 PolarHBondContact O-N 2.94Å; D245-S248 PolarHBondContact O-OG 2.81Å; D245-S248 PolarHBondContact OD1-N 3.34Å; E246-S248 PolarHBondContact O-N 3.43Å |
| 249 | Y | 88.8 | Confident | 93.7 | Very high | 158 Ų | 158 | 69.6 Ų | 69.6 | 62% | 0.62 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -75.7 | -35.5 | -178.3 | -81.2 | -81.2 | 0 | 0 | 0 | 113.3 | I244 D245 E246 | I244-Y249 HydrophobicContact CG2-CD2 4.03Å; I244-Y249 HydrophobicContact CG2-CE2 3.63Å; D245-Y249 WeakPolarHBondContact O-CD2 3.19Å; D245-Y249 PolarHBondContact O-N 2.86Å; E246-Y249 PolarHBondContact O-N 3.11Å; E246-Y249 VanDerWaalsContact O-N 3.11Å |
| 250 | S | 88.4 | Confident | 93.8 | Very high | 43 Ų | 43 | 68.2 Ų | 68.2 | 30% | 0.301 | 35% | 0.349 | S | S | . | . | trans | -152.1 | 123.9 | -178 | 177 | 0 | 0 | 0 | 0 | 113.1 | E246 Y252 | E246-S250 PolarHBondContact O-N 3.07Å; S250-Y252 PolarHBondContact O-N 3.47Å; S250-Y252 PolarHBondContact OG-N 3.35Å | ||
| 251 | S | 87 | Confident | 93.8 | Very high | 95 Ų | 95 | 69 Ų | 69 | 66% | 0.664 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -10.3 | 172.7 | 58.1 | 0 | 0 | 0 | 0 | 113.9 | ||
| 252 | Y | 89.3 | Confident | 93.8 | Very high | 210 Ų | 210 | 73.4 Ų | 73.4 | 82% | 0.824 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | 5 | -175.7 | -56.1 | -75.7 | 0 | 0 | 0 | 113.5 | S250 C254 | S250-Y252 PolarHBondContact O-N 3.47Å; S250-Y252 PolarHBondContact OG-N 3.35Å; Y252-C254 VanDerWaalsContact C-N 3.33Å |
| 253 | L | 91.8 | Very high | 93.7 | Very high | 43 Ų | 43 | 72.5 Ų | 72.5 | 23% | 0.225 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -67.1 | -34.9 | 179.3 | -73.6 | 169.9 | 0 | 0 | 0 | 113.1 | E246 F265 R279 | E246-L253 VanDerWaalsContact C-CD1 3.47Å; E246-L253 HydrophobicContact CB-CD1 3.79Å; E246-L253 WeakPolarHBondContact O-CD1 3.25Å; L253-F265 HydrophobicContact CB-CE2 4.03Å; L253-F265 HydrophobicContact CB-CZ 4.41Å; L253-F265 HydrophobicContact CD2-CZ 4.04Å; L253-R279 WeakPolarHBondContact O-CD 3.47Å |
| 254 | C | 94.1 | Very high | 93.6 | Very high | 12 Ų | 12 | 76.6 Ų | 76.6 | 8% | 0.081 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -128.4 | 146.3 | -179.8 | -56.9 | 0 | 0 | 0 | 0 | 109.1 | Y252 Y256 C258 C267 | Y252-C254 VanDerWaalsContact C-N 3.33Å; C254-Y256 VanDerWaalsContact C-N 3.35Å; C254-Y256 PolarHBondContact O-N 2.83Å; C254-C258 HydrophobicContact CB-CB 4.19Å; C254-C267 VanDerWaalsContact CA-SG 3.55Å; C254-C267 HydrophobicContact CB-CB 3.65Å; C254-C267 WeakPolarHBondContact CB-SG 3.35Å; C254-C267 WeakPolarHBondContact SG-CA 3.43Å; C254-C267 WeakPolarHBondContact SG-CB 3.4Å; C254-C267 CovalentContact SG-SG 2.03Å; C254-C267 PolarHBondContact SG-SG 2.92Å |
| 255 | Q | 94.1 | Very high | 93.6 | Very high | 71 Ų | 71 | 76.1 Ų | 76.1 | 33% | 0.332 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -69.1 | -31.2 | 178 | -172.7 | 168.6 | 21.8 | 0 | 0 | 113.7 | R279 L280 F443 | Q255-R279 PolarHBondContact N-O 3.22Å; Q255-L280 HydrophobicContact CB-CD2 4.08Å; Q255-L280 HydrophobicContact CG-CD2 4.32Å; Q255-L280 VanDerWaalsContact OE1-CB 3.27Å; Q255-F443 HydrophobicContact CG-CB 4.49Å; Q255-F443 HydrophobicContact CG-CD1 3.81Å; Q255-F443 HydrophobicContact CG-CE1 4.13Å; Q255-F443 HydrophobicContact CG-CG 4.04Å |
| 256 | Y | 93.8 | Very high | 93.6 | Very high | 103 Ų | 103 | 73.9 Ų | 73.9 | 40% | 0.404 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -122.6 | -76.1 | -177 | 178.1 | -113.5 | 0 | 0 | 0 | 113.3 | C254 H268 P270 Y441 F443 | C254-Y256 VanDerWaalsContact C-N 3.35Å; C254-Y256 PolarHBondContact O-N 2.83Å; Y256-H268 WeakPolarHBondContact CD1-O 3.3Å; Y256-P270 HydrophobicContact CD1-CB 4.23Å; Y256-P270 HydrophobicContact CD1-CG 4.25Å; Y256-P270 HydrophobicContact CE1-CB 3.93Å; Y256-P270 HydrophobicContact CE1-CG 4.4Å; Y256-P270 HydrophobicContact CG-CG 4.33Å; Y256-Y441 HydrophobicContact CD2-CD1 4.14Å; Y256-Y441 HydrophobicContact CD2-CE1 4.05Å; Y256-Y441 AromaticContact CE2-CD1 3.86Å; Y256-Y441 HydrophobicContact CE2-CD1 3.86Å; Y256-Y441 AromaticContact CE2-CE1 3.36Å; Y256-Y441 HydrophobicContact CE2-CE1 3.36Å; Y256-Y441 AromaticContact CZ-CE1 3.9Å; Y256-F443 HydrophobicContact CD2-CE1 4.37Å; Y256-F443 HydrophobicContact CD2-CZ 4.31Å; Y256-F443 HydrophobicContact CG-CZ 4.4Å |
| 257 | R | 94.6 | Very high | 93.7 | Very high | 156 Ų | 156 | 73 Ų | 73 | 59% | 0.589 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 120.7 | -175.3 | -176.6 | 175.8 | -179.6 | 131.1 | 0.6 | 111.1 | V259 C267 H268 | R257-V259 HydrophobicContact CG-CG2 4.31Å; R257-C267 CarbonylContact O-C 3.55Å; R257-C267 WeakPolarHBondContact O-CA 3.27Å; R257-H268 HydrophobicContact CB-CB 4.35Å; R257-H268 PolarHBondContact N-O 2.03Å; R257-H268 PolarHBondContact O-N 3.46Å |
| 258 | C | 96.3 | Very high | 93.7 | Very high | 38 Ų | 38 | 75.7 Ų | 75.7 | 26% | 0.257 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 138.3 | 168.6 | -169.8 | 0 | 0 | 0 | 0 | 109.4 | C247 C254 | C247-C258 WeakPolarHBondContact CA-SG 3.04Å; C247-C258 HydrophobicContact CB-CB 3.75Å; C247-C258 WeakPolarHBondContact CB-SG 3.41Å; C247-C258 WeakPolarHBondContact SG-CB 3.21Å; C247-C258 CovalentContact SG-SG 2.04Å; C247-C258 PolarHBondContact SG-SG 2.61Å; C254-C258 HydrophobicContact CB-CB 4.19Å |
| 259 | V | 96 | Very high | 93.8 | Very high | 49 Ų | 49 | 73 Ų | 73 | 30% | 0.297 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 121.1 | 172.3 | -179.5 | 0 | 0 | 0 | 0 | 107.5 | C247 R257 E261 F265 S266 | C247-V259 PolarHBondContact SG-N 3.15Å; C247-V259 VanDerWaalsContact SG-N 3.43Å; R257-V259 HydrophobicContact CG-CG2 4.31Å; V259-E261 HydrophobicContact CG1-CG 4.47Å; V259-F265 WeakPolarHBondContact O-CA 2.98Å; V259-F265 WeakPolarHBondContact O-CB 3.49Å; V259-S266 PolarHBondContact N-O 3.45Å; V259-S266 PolarHBondContact O-N 2.97Å |
| 260 | N | 96.1 | Very high | 94.1 | Very high | 50 Ų | 50 | 65.9 Ų | 65.9 | 27% | 0.267 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 134 | 175.5 | -172.1 | 46 | 0 | 0 | 0 | 109.9 | D243 I244 E246 C247 | D243-N260 PolarHBondContact OD2-ND2 2.81Å; I244-N260 PolarHBondContact O-OD1 2.98Å; E246-N260 PolarHBondContact OE2-OD1 3.49Å; E246-N260 VanDerWaalsContact OE2-OD1 3.12Å; C247-N260 PolarHBondContact SG-N 2.92Å; C247-N260 VanDerWaalsContact SG-N 3.35Å |
| 261 | E | 95.7 | Very high | 94.4 | Very high | 63 Ų | 63 | 72.8 Ų | 72.8 | 29% | 0.294 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 158.8 | 178.2 | -53.4 | 177.1 | 103.6 | 0 | 0 | 109.2 | V259 G263 R264 S266 | V259-E261 HydrophobicContact CG1-CG 4.47Å; E261-G263 PolarHBondContact O-N 3.3Å; E261-R264 CarbonylContact C-O 3.54Å; E261-R264 WeakPolarHBondContact CA-O 3Å; E261-R264 HydrophobicContact CB-CG 4.25Å; E261-R264 WeakPolarHBondContact CB-O 3.46Å; E261-R264 PolarHBondContact N-O 2.96Å; E261-R264 CarbonylContact O-C 3.42Å; E261-R264 PolarHBondContact O-N 3.43Å; E261-R264 VanDerWaalsContact O-N 3.11Å; E261-R264 IonicContact OE1-NH1 2.75Å; E261-R264 IonicContact OE2-CZ 3.69Å; E261-R264 IonicContact OE2-NH1 2.78Å; E261-R264 PolarHBondContact OE2-NH1 3.07Å; E261-R264 IonicContact OE2-NH2 3.15Å; E261-R264 PolarHBondContact OE2-NH2 2.85Å; E261-S266 VanDerWaalsContact CD-OG 3.29Å; E261-S266 VanDerWaalsContact OE2-CB 3.23Å; E261-S266 WeakPolarHBondContact OE2-CB 3.41Å; E261-S266 PolarHBondContact OE2-OG 3.03Å |
| 262 | P | 95.6 | Very high | 94.7 | Very high | 104 Ų | 104 | 68.9 Ų | 68.9 | 68% | 0.675 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 114.4 | -179.3 | -24.7 | 35.1 | 0 | 0 | 0 | 112.8 | Y232 R264 | Y232-P262 VanDerWaalsContact OH-C 3.27Å; Y232-P262 VanDerWaalsContact OH-CB 3.25Å; Y232-P262 WeakPolarHBondContact OH-CB 3.29Å; P262-R264 VanDerWaalsContact C-N 3.35Å |
| 263 | G | 94.1 | Very high | 95 | Very high | 21 Ų | 21 | 59.6 Ų | 59.6 | 22% | 0.216 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.1 | 3.7 | 179 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y232 D243 E261 | Y232-G263 PolarHBondContact OH-N 2.03Å; D243-G263 PolarHBondContact OD1-N 3.32Å; E261-G263 PolarHBondContact O-N 3.3Å |
| 264 | R | 95.1 | Very high | 95.2 | Very high | 131 Ų | 131 | 62 Ų | 62 | 49% | 0.494 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.6 | 165.5 | -177.1 | 59.4 | 177.6 | -68.8 | -93.9 | -17.6 | 111.6 | E261 P262 | E261-R264 CarbonylContact C-O 3.54Å; E261-R264 WeakPolarHBondContact CA-O 3Å; E261-R264 HydrophobicContact CB-CG 4.25Å; E261-R264 WeakPolarHBondContact CB-O 3.46Å; E261-R264 PolarHBondContact N-O 2.96Å; E261-R264 CarbonylContact O-C 3.42Å; E261-R264 PolarHBondContact O-N 3.43Å; E261-R264 VanDerWaalsContact O-N 3.11Å; E261-R264 IonicContact OE1-NH1 2.75Å; E261-R264 IonicContact OE2-CZ 3.69Å; E261-R264 IonicContact OE2-NH1 2.78Å; E261-R264 PolarHBondContact OE2-NH1 3.07Å; E261-R264 IonicContact OE2-NH2 3.15Å; E261-R264 PolarHBondContact OE2-NH2 2.85Å; P262-R264 VanDerWaalsContact C-N 3.35Å |
| 265 | F | 95.6 | Very high | 95.3 | Very high | 37 Ų | 37 | 65.4 Ų | 65.4 | 16% | 0.162 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 165 | 166.2 | 66.6 | -76.3 | 0 | 0 | 0 | 112.9 | E246 L253 V259 | E246-F265 HydrophobicContact CB-CB 4.44Å; E246-F265 HydrophobicContact CB-CD1 3.73Å; E246-F265 HydrophobicContact CB-CE1 4.27Å; E246-F265 HydrophobicContact CB-CG 4.21Å; E246-F265 HydrophobicContact CG-CD1 3.86Å; E246-F265 HydrophobicContact CG-CE1 4.38Å; E246-F265 WeakPolarHBondContact OE2-CB 3.4Å; E246-F265 PolarHBondContact OE2-N 2.7Å; L253-F265 HydrophobicContact CB-CE2 4.03Å; L253-F265 HydrophobicContact CB-CZ 4.41Å; L253-F265 HydrophobicContact CD2-CZ 4.04Å; V259-F265 WeakPolarHBondContact O-CA 2.98Å; V259-F265 WeakPolarHBondContact O-CB 3.49Å |
| 266 | S | 95.1 | Very high | 95.3 | Very high | 17 Ų | 17 | 65 Ų | 65 | 12% | 0.119 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 140.8 | 168.9 | 46.8 | 0 | 0 | 0 | 0 | 111.9 | V259 E261 H268 | V259-S266 PolarHBondContact N-O 3.45Å; V259-S266 PolarHBondContact O-N 2.97Å; E261-S266 VanDerWaalsContact CD-OG 3.29Å; E261-S266 VanDerWaalsContact OE2-CB 3.23Å; E261-S266 WeakPolarHBondContact OE2-CB 3.41Å; E261-S266 PolarHBondContact OE2-OG 3.03Å; S266-H268 PolarHBondContact OG-CE1 2.84Å |
| 267 | C | 96.8 | Very high | 95.3 | Very high | 14 Ų | 14 | 65.4 Ų | 65.4 | 10% | 0.095 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 141.7 | 171.7 | -60.3 | 0 | 0 | 0 | 0 | 109.8 | C254 R257 L275 R279 | C254-C267 VanDerWaalsContact CA-SG 3.55Å; C254-C267 HydrophobicContact CB-CB 3.65Å; C254-C267 WeakPolarHBondContact CB-SG 3.35Å; C254-C267 WeakPolarHBondContact SG-CA 3.43Å; C254-C267 WeakPolarHBondContact SG-CB 3.4Å; C254-C267 CovalentContact SG-SG 2.03Å; C254-C267 PolarHBondContact SG-SG 2.92Å; R257-C267 CarbonylContact O-C 3.55Å; R257-C267 WeakPolarHBondContact O-CA 3.27Å; C267-L275 HydrophobicContact CB-CD1 3.82Å; C267-L275 HydrophobicContact CB-CD2 4.16Å; C267-L275 VanDerWaalsContact O-CD2 3.29Å; C267-L275 WeakPolarHBondContact O-CD2 3.41Å; C267-R279 HydrophobicContact CB-CB 4.49Å |
| 268 | H | 95.9 | Very high | 95.3 | Very high | 90 Ų | 90 | 62.6 Ų | 62.6 | 42% | 0.417 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 142 | 176.8 | -68.8 | 80.9 | 0 | 0 | 0 | 109.9 | Y256 R257 S266 | Y256-H268 WeakPolarHBondContact CD1-O 3.3Å; R257-H268 HydrophobicContact CB-CB 4.35Å; R257-H268 PolarHBondContact N-O 2.03Å; R257-H268 PolarHBondContact O-N 3.46Å; S266-H268 PolarHBondContact OG-CE1 2.84Å |
| 269 | C | 96.3 | Very high | 95.2 | Very high | 27 Ų | 27 | 66.3 Ų | 66.3 | 18% | 0.182 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -99.8 | 153.6 | 173.3 | -69 | 0 | 0 | 0 | 0 | 110.5 | C281 | C269-C281 WeakPolarHBondContact CA-SG 3.02Å; C269-C281 HydrophobicContact CB-CB 3.85Å; C269-C281 WeakPolarHBondContact CB-SG 3.34Å; C269-C281 WeakPolarHBondContact SG-CA 3Å; C269-C281 WeakPolarHBondContact SG-CB 3.42Å; C269-C281 CovalentContact SG-SG 2.04Å; C269-C281 PolarHBondContact SG-SG 2.84Å |
| 270 | P | 95.6 | Very high | 95.1 | Very high | 9 Ų | 9 | 67.9 Ų | 67.9 | 6% | 0.058 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -68 | 167.9 | 174.4 | 29.2 | -31.7 | 0 | 0 | 0 | 111.1 | Y256 Y273 Y441 F443 | Y256-P270 HydrophobicContact CD1-CB 4.23Å; Y256-P270 HydrophobicContact CD1-CG 4.25Å; Y256-P270 HydrophobicContact CE1-CB 3.93Å; Y256-P270 HydrophobicContact CE1-CG 4.4Å; Y256-P270 HydrophobicContact CG-CG 4.33Å; P270-Y273 HydrophobicContact CG-CD2 3.73Å; P270-Y273 HydrophobicContact CG-CE2 4.23Å; P270-Y273 HydrophobicContact CG-CG 4.14Å; P270-Y273 PolarHBondContact O-N 3.21Å; P270-Y273 VanDerWaalsContact O-N 3.16Å; P270-Y441 HydrophobicContact CB-CD2 4.18Å; P270-Y441 HydrophobicContact CB-CE1 4.14Å; P270-Y441 HydrophobicContact CB-CE2 3.31Å; P270-Y441 WeakPolarHBondContact CB-OH 3.42Å; P270-Y441 HydrophobicContact CG-CD1 4.48Å; P270-Y441 HydrophobicContact CG-CD2 3.63Å; P270-Y441 HydrophobicContact CG-CE1 4.21Å; P270-Y441 HydrophobicContact CG-CE2 3.29Å; P270-Y441 HydrophobicContact CG-CG 4.23Å; P270-F443 HydrophobicContact CG-CE2 4.41Å; P270-F443 HydrophobicContact CG-CZ 4.11Å |
| 271 | Q | 93.3 | Very high | 95.1 | Very high | 189 Ų | 189 | 65.9 Ų | 65.9 | 88% | 0.883 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 139.7 | 175.5 | -174 | 175.7 | 8.3 | 0 | 0 | 111.2 | Y273 | Q271-Y273 VanDerWaalsContact C-N 3.31Š|
| 272 | G | 93.4 | Very high | 95.1 | Very high | 13 Ų | 13 | 67.4 Ų | 67.4 | 13% | 0.134 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | 0.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114 | I284 | G272-I284 WeakPolarHBondContact O-CB 3.3Å; G272-I284 PolarHBondContact O-N 3.43Å |
| 273 | Y | 95.8 | Very high | 95.1 | Very high | 14 Ų | 14 | 63.6 Ų | 63.6 | 6% | 0.055 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 144.8 | 179.4 | -66.8 | -105.8 | 0 | 0 | 0 | 111.6 | P270 Q271 C281 Q282 D283 Y441 F443 | P270-Y273 HydrophobicContact CG-CD2 3.73Å; P270-Y273 HydrophobicContact CG-CE2 4.23Å; P270-Y273 HydrophobicContact CG-CG 4.14Å; P270-Y273 PolarHBondContact O-N 3.21Å; P270-Y273 VanDerWaalsContact O-N 3.16Å; Q271-Y273 VanDerWaalsContact C-N 3.31Å; Y273-C281 HydrophobicContact CD1-CB 4.14Å; Y273-C281 HydrophobicContact CG-CB 4.48Å; Y273-Q282 CarbonylContact C-O 3.56Å; Y273-Q282 WeakPolarHBondContact CA-O 3.2Å; Y273-D283 HydrophobicContact CD1-CB 4.4Å; Y273-D283 HydrophobicContact CE1-CB 4.23Å; Y273-Y441 AromaticContact CE2-CD2 3.84Å; Y273-Y441 HydrophobicContact CE2-CD2 3.84Å; Y273-Y441 HydrophobicContact CE2-CE2 4.25Å; Y273-F443 HydrophobicContact CD1-CD2 4.29Å; Y273-F443 AromaticContact CD1-CE2 3.88Å; Y273-F443 HydrophobicContact CD1-CE2 3.88Å; Y273-F443 AromaticContact CE1-CD2 3.94Å; Y273-F443 HydrophobicContact CE1-CD2 3.94Å; Y273-F443 AromaticContact CE1-CE2 3.79Å; Y273-F443 HydrophobicContact CE1-CE2 3.79Å; Y273-F443 HydrophobicContact CG-CE2 4.47Å |
| 274 | Q | 95.1 | Very high | 95.1 | Very high | 94 Ų | 94 | 65.2 Ų | 65.2 | 44% | 0.439 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 144.6 | 173.7 | 62.3 | 177.8 | 0.9 | 0 | 0 | 111.6 | C281 Q282 I284 | Q274-C281 WeakPolarHBondContact O-CA 3.47Å; Q274-Q282 HydrophobicContact CG-CB 4.16Å; Q274-Q282 PolarHBondContact N-O 3.42Å; Q274-Q282 VanDerWaalsContact NE2-OE1 3.13Å; Q274-Q282 PolarHBondContact O-N 3.34Å; Q274-I284 HydrophobicContact CB-CD1 4.29Å; Q274-I284 HydrophobicContact CB-CG1 3.99Å; Q274-I284 HydrophobicContact CG-CG1 4.17Å |
| 275 | L | 96.8 | Very high | 95.2 | Very high | 84 Ų | 84 | 61.7 Ų | 61.7 | 44% | 0.44 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 122.1 | 177.3 | -174.6 | 74.2 | 0 | 0 | 0 | 110.6 | C267 | C267-L275 HydrophobicContact CB-CD1 3.82Å; C267-L275 HydrophobicContact CB-CD2 4.16Å; C267-L275 VanDerWaalsContact O-CD2 3.29Å; C267-L275 WeakPolarHBondContact O-CD2 3.41Å |
| 276 | L | 95.6 | Very high | 95.2 | Very high | 62 Ų | 62 | 61 Ų | 61 | 33% | 0.325 | 33% | 0.326 | S | S | . | . | trans | -82.9 | 160.1 | 172.3 | -61.3 | -178.1 | 0 | 0 | 0 | 111.5 | T278 R279 L280 Q282 | L276-T278 PolarHBondContact O-N 3.43Å; L276-R279 WeakPolarHBondContact O-CA 3.02Å; L276-R279 PolarHBondContact O-N 3.21Å; L276-L280 WeakPolarHBondContact CB-O 3.31Å; L276-L280 PolarHBondContact N-O 2.04Å; L276-Q282 HydrophobicContact CD1-CB 4.02Å; L276-Q282 HydrophobicContact CD2-CB 4.26Å; L276-Q282 HydrophobicContact CG-CB 4.06Å | ||
| 277 | A | 93.3 | Very high | 95.2 | Very high | 111 Ų | 111 | 61.8 Ų | 61.8 | 92% | 0.917 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -25.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | R279 | A277-R279 PolarHBondContact O-N 3.05Š|
| 278 | T | 93.9 | Very high | 95.2 | Very high | 97 Ų | 97 | 69.1 Ų | 69.1 | 60% | 0.595 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | 3.7 | 174.4 | 52.3 | 0 | 0 | 0 | 0 | 114 | L276 L280 | L276-T278 PolarHBondContact O-N 3.43Å; T278-L280 PolarHBondContact O-N 3.24Å |
| 279 | R | 94.4 | Very high | 95.1 | Very high | 117 Ų | 117 | 68.5 Ų | 68.5 | 44% | 0.442 | 37% | 0.37 | S | S | . | . | S | Bend | trans | 63.6 | 20.1 | -175.6 | -50.9 | 171.9 | -172.6 | 154.4 | -0.9 | 114 | L253 Q255 C267 L276 A277 | L253-R279 WeakPolarHBondContact O-CD 3.47Å; Q255-R279 PolarHBondContact N-O 3.22Å; C267-R279 HydrophobicContact CB-CB 4.49Å; L276-R279 WeakPolarHBondContact O-CA 3.02Å; L276-R279 PolarHBondContact O-N 3.21Å; A277-R279 PolarHBondContact O-N 3.05Å |
| 280 | L | 94.6 | Very high | 95 | Very high | 81 Ų | 81 | 69.6 Ų | 69.6 | 42% | 0.424 | 39% | 0.386 | S | S | . | . | trans | -93.8 | 150.5 | 171.6 | -59.2 | -179.8 | 0 | 0 | 0 | 109.9 | Q255 L276 T278 | Q255-L280 HydrophobicContact CB-CD2 4.08Å; Q255-L280 HydrophobicContact CG-CD2 4.32Å; Q255-L280 VanDerWaalsContact OE1-CB 3.27Å; L276-L280 WeakPolarHBondContact CB-O 3.31Å; L276-L280 PolarHBondContact N-O 2.04Å; T278-L280 PolarHBondContact O-N 3.24Å | ||
| 281 | C | 95.8 | Very high | 94.9 | Very high | 9 Ų | 9 | 72.2 Ų | 72.2 | 6% | 0.061 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 123.8 | 174.8 | -63.1 | 0 | 0 | 0 | 0 | 109.2 | C269 Y273 Q274 F443 | C269-C281 WeakPolarHBondContact CA-SG 3.02Å; C269-C281 HydrophobicContact CB-CB 3.85Å; C269-C281 WeakPolarHBondContact CB-SG 3.34Å; C269-C281 WeakPolarHBondContact SG-CA 3Å; C269-C281 WeakPolarHBondContact SG-CB 3.42Å; C269-C281 CovalentContact SG-SG 2.04Å; C269-C281 PolarHBondContact SG-SG 2.84Å; Y273-C281 HydrophobicContact CD1-CB 4.14Å; Y273-C281 HydrophobicContact CG-CB 4.48Å; Q274-C281 WeakPolarHBondContact O-CA 3.47Å; C281-F443 HydrophobicContact CB-CD2 3.99Å; C281-F443 HydrophobicContact CB-CE2 3.43Å; C281-F443 VanDerWaalsContact CB-CE2 3.43Å; C281-F443 HydrophobicContact CB-CZ 4.1Å |
| 282 | Q | 94.4 | Very high | 95 | Very high | 94 Ų | 94 | 66.2 Ų | 66.2 | 44% | 0.439 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 136.4 | 174.2 | -171.3 | -176.8 | 25.9 | 0 | 0 | 109.2 | Y273 Q274 L276 I284 | Y273-Q282 CarbonylContact C-O 3.56Å; Y273-Q282 WeakPolarHBondContact CA-O 3.2Å; Q274-Q282 HydrophobicContact CG-CB 4.16Å; Q274-Q282 PolarHBondContact N-O 3.42Å; Q274-Q282 VanDerWaalsContact NE2-OE1 3.13Å; Q274-Q282 PolarHBondContact O-N 3.34Å; L276-Q282 HydrophobicContact CD1-CB 4.02Å; L276-Q282 HydrophobicContact CD2-CB 4.26Å; L276-Q282 HydrophobicContact CG-CB 4.06Å; Q282-I284 PolarHBondContact O-N 3.44Å |
| 283 | D | 95.4 | Very high | 95.1 | Very high | 25 Ų | 25 | 74 Ų | 74 | 13% | 0.134 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.2 | 135.9 | 170.8 | -174.3 | 64.3 | 0 | 0 | 0 | 111.1 | Y273 N302 F303 H304 G305 | Y273-D283 HydrophobicContact CD1-CB 4.4Å; Y273-D283 HydrophobicContact CE1-CB 4.23Å; D283-N302 PolarHBondContact OD2-ND2 3.41Å; D283-F303 VanDerWaalsContact OD1-O 3.13Å; D283-H304 WeakPolarHBondContact OD1-CA 3.31Å; D283-G305 PolarHBondContact OD1-N 2.96Å |
| 284 | I | 95.6 | Very high | 95.1 | Very high | 54 Ų | 54 | 74.5 Ų | 74.5 | 28% | 0.277 | 42% | 0.418 | S | S | . | . | trans | -86.2 | 115.8 | 173.9 | -63.1 | 170.7 | 0 | 0 | 0 | 106.9 | G272 Q274 Q282 E286 | G272-I284 WeakPolarHBondContact O-CB 3.3Å; G272-I284 PolarHBondContact O-N 3.43Å; Q274-I284 HydrophobicContact CB-CD1 4.29Å; Q274-I284 HydrophobicContact CB-CG1 3.99Å; Q274-I284 HydrophobicContact CG-CG1 4.17Å; Q282-I284 PolarHBondContact O-N 3.44Å; I284-E286 HydrophobicContact CG2-CG 4.28Å; I284-E286 PolarHBondContact O-N 2.73Å; I284-E286 VanDerWaalsContact O-OE2 3.11Å | ||
| 285 | D | 96.2 | Very high | 95.1 | Very high | 58 Ų | 58 | 72.9 Ų | 72.9 | 31% | 0.31 | 42% | 0.417 | S | S | . | . | trans | -76 | 95.2 | 172.6 | -163.4 | -44 | 0 | 0 | 0 | 109.8 | C287 E288 S289 N302 | D285-C287 PolarHBondContact O-N 2.59Å; D285-C287 WeakPolarHBondContact OD1-CA 3.46Å; D285-C287 VanDerWaalsContact OD1-CB 3.31Å; D285-C287 WeakPolarHBondContact OD1-CB 3.4Å; D285-C287 PolarHBondContact OD1-N 2.85Å; D285-E288 HydrophobicContact CB-CB 3.95Å; D285-E288 PolarHBondContact O-N 3.27Å; D285-E288 PolarHBondContact OD1-N 3.05Å; D285-S289 WeakPolarHBondContact O-CB 3.3Å; D285-S289 PolarHBondContact O-N 3.45Å; D285-S289 PolarHBondContact O-OG 2.74Å; D285-N302 VanDerWaalsContact CG-ND2 3.32Å; D285-N302 PolarHBondContact OD2-ND2 3.29Å | ||
| 286 | E | 96.1 | Very high | 94.8 | Very high | 21 Ų | 21 | 78.5 Ų | 78.5 | 10% | 0.098 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -67.7 | -23.3 | 180 | -59.5 | 94.7 | 164.8 | 0 | 0 | 112.4 | I284 S289 G290 A291 H292 N302 G306 Y307 | I284-E286 HydrophobicContact CG2-CG 4.28Å; I284-E286 PolarHBondContact O-N 2.73Å; I284-E286 VanDerWaalsContact O-OE2 3.11Å; E286-S289 VanDerWaalsContact CA-OG 3.31Å; E286-S289 WeakPolarHBondContact CA-OG 3.06Å; E286-S289 PolarHBondContact O-OG 3.22Å; E286-G290 CarbonylContact O-C 3.54Å; E286-G290 PolarHBondContact O-N 3.42Å; E286-G290 VanDerWaalsContact O-N 3.13Å; E286-A291 HydrophobicContact CB-CB 4.39Å; E286-A291 HydrophobicContact CG-CB 4.49Å; E286-A291 PolarHBondContact O-N 3.17Å; E286-H292 HydrophobicContact CB-CB 4.39Å; E286-H292 PolarHBondContact O-CD2 2.71Å; E286-H292 VanDerWaalsContact O-CD2 3.3Å; E286-H292 PolarHBondContact O-N 3.23Å; E286-N302 PolarHBondContact OE2-OD1 2.83Å; E286-G306 WeakPolarHBondContact OE1-CA 3.37Å; E286-Y307 HydrophobicContact CB-CD1 3.5Å; E286-Y307 VanDerWaalsContact CB-CD1 3.5Å; E286-Y307 HydrophobicContact CB-CE1 4.13Å; E286-Y307 HydrophobicContact CB-CG 3.97Å; E286-Y307 HydrophobicContact CG-CD1 3.62Å; E286-Y307 HydrophobicContact CG-CE1 4.16Å; E286-Y307 WeakPolarHBondContact OE2-CB 3.46Å; E286-Y307 PolarHBondContact OE2-N 2.96Å |
| 287 | C | 95.9 | Very high | 94.5 | Very high | 34 Ų | 34 | 78.3 Ų | 78.3 | 23% | 0.23 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -75.1 | -39.8 | 177.4 | -55.8 | 0 | 0 | 0 | 0 | 111.8 | D285 C300 V301 N302 | D285-C287 PolarHBondContact O-N 2.59Å; D285-C287 WeakPolarHBondContact OD1-CA 3.46Å; D285-C287 VanDerWaalsContact OD1-CB 3.31Å; D285-C287 WeakPolarHBondContact OD1-CB 3.4Å; D285-C287 PolarHBondContact OD1-N 2.85Å; C287-C300 WeakPolarHBondContact CA-SG 3.4Å; C287-C300 HydrophobicContact CB-CB 3.74Å; C287-C300 WeakPolarHBondContact CB-SG 3.32Å; C287-C300 WeakPolarHBondContact SG-CB 3.21Å; C287-C300 CovalentContact SG-SG 2.04Å; C287-C300 PolarHBondContact SG-SG 2.8Å; C287-V301 VanDerWaalsContact SG-C 3.5Å; C287-V301 PolarHBondContact SG-N 3.39Å; C287-V301 VanDerWaalsContact SG-N 3.43Å; C287-N302 HydrophobicContact CB-CB 4.43Å; C287-N302 PolarHBondContact SG-N 2.88Å |
| 288 | E | 96.3 | Very high | 94.6 | Very high | 169 Ų | 169 | 75.9 Ų | 75.9 | 79% | 0.79 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -75 | -40.4 | 175.8 | -172.6 | 175.3 | -175.2 | 0 | 0 | 111.8 | D285 G290 | D285-E288 HydrophobicContact CB-CB 3.95Å; D285-E288 PolarHBondContact O-N 3.27Å; D285-E288 PolarHBondContact OD1-N 3.05Å; E288-G290 VanDerWaalsContact C-N 3.26Å; E288-G290 PolarHBondContact O-N 3.41Å |
| 289 | S | 94.5 | Very high | 94.5 | Very high | 76 Ų | 76 | 74 Ų | 74 | 53% | 0.531 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -75.7 | -12.6 | 179.7 | 60.2 | 0 | 0 | 0 | 0 | 114.1 | D285 E286 A291 | D285-S289 WeakPolarHBondContact O-CB 3.3Å; D285-S289 PolarHBondContact O-N 3.45Å; D285-S289 PolarHBondContact O-OG 2.74Å; E286-S289 VanDerWaalsContact CA-OG 3.31Å; E286-S289 WeakPolarHBondContact CA-OG 3.06Å; E286-S289 PolarHBondContact O-OG 3.22Å; S289-A291 PolarHBondContact O-N 2.85Å |
| 290 | G | 93.1 | Very high | 94.6 | Very high | 50 Ų | 50 | 69.7 Ų | 69.7 | 52% | 0.515 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 14.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | E286 E288 H292 | E286-G290 CarbonylContact O-C 3.54Å; E286-G290 PolarHBondContact O-N 3.42Å; E286-G290 VanDerWaalsContact O-N 3.13Å; E288-G290 VanDerWaalsContact C-N 3.26Å; E288-G290 PolarHBondContact O-N 3.41Å; G290-H292 PolarHBondContact O-N 3.03Å |
| 291 | A | 93.3 | Very high | 94.6 | Very high | 64 Ų | 64 | 66.9 Ų | 66.9 | 53% | 0.529 | 38% | 0.38 | S | S | . | . | trans | -81.8 | 16.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | E286 S289 | E286-A291 HydrophobicContact CB-CB 4.39Å; E286-A291 HydrophobicContact CG-CB 4.49Å; E286-A291 PolarHBondContact O-N 3.17Å; S289-A291 PolarHBondContact O-N 2.85Å | ||
| 292 | H | 94.8 | Very high | 94.6 | Very high | 63 Ų | 63 | 68.4 Ų | 68.4 | 29% | 0.292 | 39% | 0.388 | S | S | . | . | trans | -94.6 | 151.9 | -180 | 66.9 | 83.3 | 0 | 0 | 0 | 112.4 | E286 G290 C294 Y307 | E286-H292 HydrophobicContact CB-CB 4.39Å; E286-H292 PolarHBondContact O-CD2 2.71Å; E286-H292 VanDerWaalsContact O-CD2 3.3Å; E286-H292 PolarHBondContact O-N 3.23Å; G290-H292 PolarHBondContact O-N 3.03Å; H292-C294 WeakPolarHBondContact ND1-CB 3.06Å; H292-C294 PolarHBondContact ND1-N 2.85Å; H292-Y307 HydrophobicContact CB-CD1 4.49Å; H292-Y307 HydrophobicContact CB-CD2 3.67Å; H292-Y307 HydrophobicContact CB-CE1 4.37Å; H292-Y307 HydrophobicContact CB-CE2 3.55Å; H292-Y307 HydrophobicContact CB-CG 4.16Å | ||
| 293 | Q | 95.7 | Very high | 94.6 | Very high | 178 Ų | 178 | 66 Ų | 66 | 83% | 0.832 | 38% | 0.376 | S | S | * | . | trans | -104.7 | 33.7 | 179.5 | -62.2 | 179.6 | 6.5 | 0 | 0 | 112.8 | Y307 | Q293-Y307 PolarHBondContact N-OH 2.78Š| ||
| 294 | C | 95.5 | Very high | 94.5 | Very high | 24 Ų | 24 | 67.1 Ų | 67.1 | 16% | 0.162 | 38% | 0.38 | C | S | . | . | trans | -77 | 140.8 | -180 | -54.3 | 0 | 0 | 0 | 0 | 111.8 | H292 Q298 C309 | H292-C294 WeakPolarHBondContact ND1-CB 3.06Å; H292-C294 PolarHBondContact ND1-N 2.85Å; C294-Q298 HydrophobicContact CB-CB 4.14Å; C294-C309 WeakPolarHBondContact CA-SG 3.33Å; C294-C309 HydrophobicContact CB-CB 3.73Å; C294-C309 WeakPolarHBondContact CB-SG 3.48Å; C294-C309 PolarHBondContact N-SG 3Å; C294-C309 WeakPolarHBondContact SG-CA 3.42Å; C294-C309 WeakPolarHBondContact SG-CB 3.44Å; C294-C309 CovalentContact SG-SG 2.04Å; C294-C309 PolarHBondContact SG-SG 3.05Å | ||
| 295 | S | 95.6 | Very high | 94.2 | Very high | 59 Ų | 59 | 66 Ų | 66 | 41% | 0.413 | 38% | 0.383 | S | S | . | . | trans | -72.5 | 164.8 | 173.1 | 65.4 | 0 | 0 | 0 | 0 | 112.2 | A297 Q298 | S295-A297 PolarHBondContact O-N 3.27Å; S295-Q298 VanDerWaalsContact N-OE1 3.09Å; S295-Q298 WeakPolarHBondContact O-CB 3.41Å; S295-Q298 PolarHBondContact O-N 3.01Å; S295-Q298 WeakPolarHBondContact OG-CG 3.38Å; S295-Q298 PolarHBondContact OG-OE1 3.33Å | ||
| 296 | E | 90.1 | Very high | 94.1 | Very high | 203 Ų | 203 | 63.7 Ų | 63.7 | 95% | 0.949 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -24.4 | 176.3 | -63.7 | -172.7 | 166.3 | 0 | 0 | 113.4 | Q298 | E296-Q298 PolarHBondContact O-N 3.31Š|
| 297 | A | 91.1 | Very high | 94 | Very high | 58 Ų | 58 | 65.9 Ų | 65.9 | 48% | 0.479 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 4.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S295 T312 | S295-A297 PolarHBondContact O-N 3.27Å; A297-T312 WeakPolarHBondContact O-CB 3.06Å; A297-T312 VanDerWaalsContact O-CG2 3.29Å; A297-T312 WeakPolarHBondContact O-CG2 3.22Å; A297-T312 PolarHBondContact O-N 2.88Å; A297-T312 PolarHBondContact O-OG1 2.04Å |
| 298 | Q | 94.1 | Very high | 93.9 | Very high | 59 Ų | 59 | 69 Ų | 69 | 28% | 0.276 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 147.5 | -175.4 | -71.6 | 170.5 | -30.4 | 0 | 0 | 111.7 | C294 S295 E296 C309 V310 D311 | C294-Q298 HydrophobicContact CB-CB 4.14Å; S295-Q298 VanDerWaalsContact N-OE1 3.09Å; S295-Q298 WeakPolarHBondContact O-CB 3.41Å; S295-Q298 PolarHBondContact O-N 3.01Å; S295-Q298 WeakPolarHBondContact OG-CG 3.38Å; S295-Q298 PolarHBondContact OG-OE1 3.33Å; E296-Q298 PolarHBondContact O-N 3.31Å; Q298-C309 HydrophobicContact CB-CB 4.16Å; Q298-C309 HydrophobicContact CG-CB 4.45Å; Q298-V310 CarbonylContact C-O 3.54Å; Q298-V310 WeakPolarHBondContact CA-O 3.37Å; Q298-D311 WeakPolarHBondContact CG-OD1 3.45Å; Q298-D311 PolarHBondContact NE2-OD1 2.92Å |
| 299 | T | 92.9 | Very high | 93.8 | Very high | 59 Ų | 59 | 62.7 Ų | 62.7 | 36% | 0.362 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 138.5 | 169.5 | -44.4 | 0 | 0 | 0 | 0 | 109.2 | V310 | T299-V310 PolarHBondContact N-O 2.89Å; T299-V310 WeakPolarHBondContact O-CG2 3.04Å; T299-V310 PolarHBondContact O-N 3.05Å |
| 300 | C | 95.3 | Very high | 93.7 | Very high | 26 Ų | 26 | 59.9 Ų | 59.9 | 18% | 0.176 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 136.8 | 173.6 | -171.9 | 0 | 0 | 0 | 0 | 110.7 | C287 | C287-C300 WeakPolarHBondContact CA-SG 3.4Å; C287-C300 HydrophobicContact CB-CB 3.74Å; C287-C300 WeakPolarHBondContact CB-SG 3.32Å; C287-C300 WeakPolarHBondContact SG-CB 3.21Å; C287-C300 CovalentContact SG-SG 2.04Å; C287-C300 PolarHBondContact SG-SG 2.8Å |
| 301 | V | 94.7 | Very high | 93.6 | Very high | 22 Ų | 22 | 61.9 Ų | 61.9 | 13% | 0.133 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 116.8 | 172 | 174.1 | 0 | 0 | 0 | 0 | 108.5 | C287 Y307 R308 V310 Y347 F437 | C287-V301 VanDerWaalsContact SG-C 3.5Å; C287-V301 PolarHBondContact SG-N 3.39Å; C287-V301 VanDerWaalsContact SG-N 3.43Å; V301-Y307 CarbonylContact O-C 3.51Å; V301-Y307 WeakPolarHBondContact O-CA 3.02Å; V301-R308 PolarHBondContact N-O 2.87Å; V301-R308 PolarHBondContact O-N 3.45Å; V301-V310 HydrophobicContact CB-CG2 4.48Å; V301-V310 HydrophobicContact CG2-CG2 3.52Å; V301-Y347 HydrophobicContact CG1-CD1 4.14Å; V301-Y347 HydrophobicContact CG1-CD2 4.33Å; V301-Y347 HydrophobicContact CG1-CG 3.77Å; V301-Y347 HydrophobicContact CG2-CD1 4.46Å; V301-Y347 HydrophobicContact CG2-CD2 3.85Å; V301-Y347 HydrophobicContact CG2-CE2 4.08Å; V301-Y347 HydrophobicContact CG2-CG 4.06Å; V301-F437 HydrophobicContact CG1-CE2 4.21Å |
| 302 | N | 95.3 | Very high | 93.4 | Very high | 41 Ų | 41 | 61.9 Ų | 61.9 | 22% | 0.219 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 146.3 | 176.8 | -173.1 | 41.4 | 0 | 0 | 0 | 111.5 | D283 D285 E286 C287 G306 | D283-N302 PolarHBondContact OD2-ND2 3.41Å; D285-N302 VanDerWaalsContact CG-ND2 3.32Å; D285-N302 PolarHBondContact OD2-ND2 3.29Å; E286-N302 PolarHBondContact OE2-OD1 2.83Å; C287-N302 HydrophobicContact CB-CB 4.43Å; C287-N302 PolarHBondContact SG-N 2.88Å; N302-G306 PolarHBondContact OD1-O 3.48Å |
| 303 | F | 94.3 | Very high | 93.1 | Very high | 42 Ų | 42 | 63.4 Ų | 63.4 | 18% | 0.184 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 169.2 | 172.9 | 61.6 | -99 | 0 | 0 | 0 | 111.2 | D283 G305 G306 Y307 R308 F437 | D283-F303 VanDerWaalsContact OD1-O 3.13Å; F303-G305 PolarHBondContact O-N 2.91Å; F303-G306 CarbonylContact C-O 3.58Å; F303-G306 WeakPolarHBondContact CA-O 3.42Å; F303-G306 VanDerWaalsContact CD1-O 3.27Å; F303-G306 WeakPolarHBondContact CD1-O 3.02Å; F303-G306 WeakPolarHBondContact CD2-O 3.39Å; F303-G306 VanDerWaalsContact CG-O 3.23Å; F303-G306 WeakPolarHBondContact CG-O 3.18Å; F303-G306 PolarHBondContact N-O 2.88Å; F303-G306 PolarHBondContact O-N 2.96Å; F303-Y307 WeakPolarHBondContact CE1-O 3.34Å; F303-R308 HydrophobicContact CE1-CB 3.98Å; F303-F437 HydrophobicContact CB-CB 3.71Å; F303-F437 HydrophobicContact CB-CD2 3.87Å; F303-F437 HydrophobicContact CB-CG 3.92Å; F303-F437 HydrophobicContact CD1-CB 4.38Å; F303-F437 HydrophobicContact CD1-CD1 4.07Å; F303-F437 AromaticContact CD1-CD2 3.92Å; F303-F437 HydrophobicContact CD1-CD2 3.92Å; F303-F437 HydrophobicContact CD1-CE1 4.36Å; F303-F437 HydrophobicContact CD1-CE2 4.19Å; F303-F437 AromaticContact CD1-CG 3.85Å; F303-F437 HydrophobicContact CD1-CG 3.85Å; F303-F437 HydrophobicContact CD1-CZ 4.42Å; F303-F437 HydrophobicContact CD2-CB 4.09Å; F303-F437 HydrophobicContact CD2-CG 4.39Å; F303-F437 HydrophobicContact CE1-CD1 4.26Å; F303-F437 HydrophobicContact CE1-CE1 4.38Å; F303-F437 HydrophobicContact CE1-CG 4.48Å; F303-F437 HydrophobicContact CG-CB 3.81Å; F303-F437 HydrophobicContact CG-CD1 4.31Å; F303-F437 HydrophobicContact CG-CD2 4.06Å; F303-F437 AromaticContact CG-CG 3.8Å; F303-F437 HydrophobicContact CG-CG 3.8Å |
| 304 | H | 93.3 | Very high | 92.7 | Very high | 49 Ų | 49 | 56.4 Ų | 56.4 | 23% | 0.227 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | 109.7 | -176.8 | -74.3 | -46.5 | 0 | 0 | 0 | 112.3 | D283 T349 | D283-H304 WeakPolarHBondContact OD1-CA 3.31Å; H304-T349 WeakPolarHBondContact CB-OG1 3.46Å; H304-T349 VanDerWaalsContact CD2-CG2 3.5Å; H304-T349 WeakPolarHBondContact CD2-CG2 3.29Å; H304-T349 PolarHBondContact CD2-OG1 3.08Å; H304-T349 PolarHBondContact N-OG1 3.08Å; H304-T349 VanDerWaalsContact N-OG1 3.11Å |
| 305 | G | 90.6 | Very high | 92.5 | Very high | 32 Ų | 32 | 56.2 Ų | 56.2 | 33% | 0.33 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.9 | 8.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | D283 F303 | D283-G305 PolarHBondContact OD1-N 2.96Å; F303-G305 PolarHBondContact O-N 2.91Å |
| 306 | G | 93.5 | Very high | 92.3 | Very high | 9 Ų | 9 | 58.6 Ų | 58.6 | 9% | 0.093 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 161.1 | -166 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | E286 N302 F303 | E286-G306 WeakPolarHBondContact OE1-CA 3.37Å; N302-G306 PolarHBondContact OD1-O 3.48Å; F303-G306 CarbonylContact C-O 3.58Å; F303-G306 WeakPolarHBondContact CA-O 3.42Å; F303-G306 VanDerWaalsContact CD1-O 3.27Å; F303-G306 WeakPolarHBondContact CD1-O 3.02Å; F303-G306 WeakPolarHBondContact CD2-O 3.39Å; F303-G306 VanDerWaalsContact CG-O 3.23Å; F303-G306 WeakPolarHBondContact CG-O 3.18Å; F303-G306 PolarHBondContact N-O 2.88Å; F303-G306 PolarHBondContact O-N 2.96Å |
| 307 | Y | 95 | Very high | 92.3 | Very high | 66 Ų | 66 | 56.5 Ų | 56.5 | 26% | 0.259 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 163.4 | -177.6 | 69.8 | -80.1 | 0 | 0 | 0 | 112.9 | E286 H292 Q293 V301 F303 | E286-Y307 HydrophobicContact CB-CD1 3.5Å; E286-Y307 VanDerWaalsContact CB-CD1 3.5Å; E286-Y307 HydrophobicContact CB-CE1 4.13Å; E286-Y307 HydrophobicContact CB-CG 3.97Å; E286-Y307 HydrophobicContact CG-CD1 3.62Å; E286-Y307 HydrophobicContact CG-CE1 4.16Å; E286-Y307 WeakPolarHBondContact OE2-CB 3.46Å; E286-Y307 PolarHBondContact OE2-N 2.96Å; H292-Y307 HydrophobicContact CB-CD1 4.49Å; H292-Y307 HydrophobicContact CB-CD2 3.67Å; H292-Y307 HydrophobicContact CB-CE1 4.37Å; H292-Y307 HydrophobicContact CB-CE2 3.55Å; H292-Y307 HydrophobicContact CB-CG 4.16Å; Q293-Y307 PolarHBondContact N-OH 2.78Å; V301-Y307 CarbonylContact O-C 3.51Å; V301-Y307 WeakPolarHBondContact O-CA 3.02Å; F303-Y307 WeakPolarHBondContact CE1-O 3.34Å |
| 308 | R | 93.7 | Very high | 92.3 | Very high | 101 Ų | 101 | 54.7 Ų | 54.7 | 38% | 0.381 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 135.6 | 169.6 | -176.5 | 172.9 | -84.1 | -166 | 1.5 | 111.3 | V301 F303 V310 E410 F437 | V301-R308 PolarHBondContact N-O 2.87Å; V301-R308 PolarHBondContact O-N 3.45Å; F303-R308 HydrophobicContact CE1-CB 3.98Å; R308-V310 HydrophobicContact CG-CG1 4.07Å; R308-E410 IonicContact CZ-OE1 3.74Å; R308-E410 IonicContact CZ-OE2 3.84Å; R308-E410 IonicContact NH1-OE1 3.97Å; R308-E410 PolarHBondContact NH1-OE1 3.49Å; R308-E410 IonicContact NH1-OE2 3.83Å; R308-E410 PolarHBondContact NH1-OE2 3.02Å; R308-E410 IonicContact NH2-OE2 3.39Å; R308-E410 PolarHBondContact NH2-OE2 3.03Å; R308-F437 HydrophobicContact CB-CZ 4.39Å |
| 309 | C | 94.5 | Very high | 92.3 | Very high | 36 Ų | 36 | 53.2 Ų | 53.2 | 24% | 0.243 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 122.8 | 167.7 | -52.4 | 0 | 0 | 0 | 0 | 109.3 | C294 Q298 | C294-C309 WeakPolarHBondContact CA-SG 3.33Å; C294-C309 HydrophobicContact CB-CB 3.73Å; C294-C309 WeakPolarHBondContact CB-SG 3.48Å; C294-C309 PolarHBondContact N-SG 3Å; C294-C309 WeakPolarHBondContact SG-CA 3.42Å; C294-C309 WeakPolarHBondContact SG-CB 3.44Å; C294-C309 CovalentContact SG-SG 2.04Å; C294-C309 PolarHBondContact SG-SG 3.05Å; Q298-C309 HydrophobicContact CB-CB 4.16Å; Q298-C309 HydrophobicContact CG-CB 4.45Å |
| 310 | V | 92.3 | Very high | 92.4 | Very high | 17 Ų | 17 | 54.3 Ų | 54.3 | 10% | 0.103 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 134.8 | -179.4 | -77 | 0 | 0 | 0 | 0 | 109 | Q298 T299 V301 R308 Y347 | Q298-V310 CarbonylContact C-O 3.54Å; Q298-V310 WeakPolarHBondContact CA-O 3.37Å; T299-V310 PolarHBondContact N-O 2.89Å; T299-V310 WeakPolarHBondContact O-CG2 3.04Å; T299-V310 PolarHBondContact O-N 3.05Å; V301-V310 HydrophobicContact CB-CG2 4.48Å; V301-V310 HydrophobicContact CG2-CG2 3.52Å; R308-V310 HydrophobicContact CG-CG1 4.07Å; V310-Y347 HydrophobicContact CG1-CE1 3.98Å; V310-Y347 HydrophobicContact CG2-CE2 4.47Å |
| 311 | D | 91.2 | Very high | 92.2 | Very high | 92 Ų | 92 | 56 Ų | 56 | 49% | 0.492 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 142.3 | -176.5 | -60.8 | -35.7 | 0 | 0 | 0 | 111.5 | Q298 N313 R314 | Q298-D311 WeakPolarHBondContact CG-OD1 3.45Å; Q298-D311 PolarHBondContact NE2-OD1 2.92Å; D311-N313 VanDerWaalsContact C-N 3.3Å; D311-N313 PolarHBondContact O-N 3.18Å; D311-R314 WeakPolarHBondContact O-CG 3.42Å |
| 312 | T | 88.3 | Confident | 92.1 | Very high | 63 Ų | 63 | 58.7 Ų | 58.7 | 39% | 0.387 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -61.8 | -38.7 | 177 | 44.9 | 0 | 0 | 0 | 0 | 111.6 | A297 Q321 | A297-T312 WeakPolarHBondContact O-CB 3.06Å; A297-T312 VanDerWaalsContact O-CG2 3.29Å; A297-T312 WeakPolarHBondContact O-CG2 3.22Å; A297-T312 PolarHBondContact O-N 2.88Å; A297-T312 PolarHBondContact O-OG1 2.04Å; T312-Q321 PolarHBondContact O-NE2 3.45Å |
| 313 | N | 88.4 | Confident | 91.9 | Very high | 95 Ų | 95 | 59.5 Ų | 59.5 | 51% | 0.508 | 32% | 0.323 | S | S | . | . | trans | -96.6 | 100.6 | 171 | -175.3 | 4.6 | 0 | 0 | 0 | 111.5 | D311 C315 Q321 | D311-N313 VanDerWaalsContact C-N 3.3Å; D311-N313 PolarHBondContact O-N 3.18Å; N313-C315 PolarHBondContact OD1-N 3.22Å; N313-C315 VanDerWaalsContact OD1-N 3.12Å; N313-Q321 VanDerWaalsContact CA-OE1 3.32Å; N313-Q321 PolarHBondContact OD1-OE1 3.14Å | ||
| 314 | R | 87.1 | Confident | 91.5 | Very high | 32 Ų | 32 | 63.2 Ų | 63.2 | 12% | 0.121 | 34% | 0.344 | C | S | . | . | trans | -93.7 | -3.4 | -178.2 | -55.6 | 177.4 | 172.1 | 83.8 | 8.6 | 113.5 | D311 D324 N325 Y347 | D311-R314 WeakPolarHBondContact O-CG 3.42Å; R314-D324 PolarHBondContact NH1-O 3.05Å; R314-N325 PolarHBondContact NH1-OD1 2.8Å; R314-N325 VanDerWaalsContact NH1-OD1 3.11Å; R314-Y347 PolarHBondContact NE-OH 2.98Å | ||
| 315 | C | 91 | Very high | 91.3 | Very high | 19 Ų | 19 | 63.4 Ų | 63.4 | 13% | 0.128 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -89.8 | 127.2 | -171.4 | -53.4 | 0 | 0 | 0 | 0 | 110.2 | N313 Q321 C327 | N313-C315 PolarHBondContact OD1-N 3.22Å; N313-C315 VanDerWaalsContact OD1-N 3.12Å; C315-Q321 HydrophobicContact CB-CB 4.33Å; C315-Q321 WeakPolarHBondContact SG-CA 3.49Å; C315-Q321 WeakPolarHBondContact SG-CB 3.45Å; C315-C327 WeakPolarHBondContact CA-SG 3.38Å; C315-C327 HydrophobicContact CB-CB 3.88Å; C315-C327 WeakPolarHBondContact CB-SG 3.37Å; C315-C327 VanDerWaalsContact SG-CA 3.53Å; C315-C327 WeakPolarHBondContact SG-CB 3.3Å; C315-C327 CovalentContact SG-SG 2.03Å; C315-C327 PolarHBondContact SG-SG 2.9Å |
| 316 | V | 90.9 | Very high | 91.4 | Very high | 110 Ų | 110 | 67.4 Ų | 67.4 | 67% | 0.667 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -98.4 | 142.6 | 174.2 | -175.5 | 0 | 0 | 0 | 0 | 108.5 | Y319 | V316-Y319 VanDerWaalsContact O-CB 3.31Å; V316-Y319 WeakPolarHBondContact O-CB 3.2Å; V316-Y319 WeakPolarHBondContact O-CD2 3.28Å; V316-Y319 PolarHBondContact O-N 3.15Å |
| 317 | E | 90.1 | Very high | 91.5 | Very high | 159 Ų | 159 | 67.1 Ų | 67.1 | 74% | 0.743 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.6 | 132.2 | 172.6 | -169.7 | 179.4 | 175.3 | 0 | 0 | 110.4 | ||
| 318 | P | 92.9 | Very high | 91.5 | Very high | 20 Ų | 20 | 66.6 Ų | 66.6 | 13% | 0.13 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -91.1 | 10 | 14.7 | 37.2 | -37.9 | 0 | 0 | 0 | 115.9 | N333 L335 | P318-N333 WeakPolarHBondContact CB-ND2 3.25Å; P318-L335 HydrophobicContact CB-CB 3.83Å; P318-L335 HydrophobicContact CB-CD1 4.3Å; P318-L335 HydrophobicContact CG-CB 3.99Å |
| 319 | Y | 94.1 | Very high | 91.5 | Very high | 28 Ų | 28 | 62.5 Ų | 62.5 | 11% | 0.11 | 34% | 0.337 | C | S | . | . | trans | -80.8 | 141.9 | -176.2 | -67.6 | -89.8 | 0 | 0 | 0 | 112.8 | V316 C327 L328 C329 P340 I343 | V316-Y319 VanDerWaalsContact O-CB 3.31Å; V316-Y319 WeakPolarHBondContact O-CB 3.2Å; V316-Y319 WeakPolarHBondContact O-CD2 3.28Å; V316-Y319 PolarHBondContact O-N 3.15Å; Y319-C327 HydrophobicContact CD1-CB 4.16Å; Y319-C327 HydrophobicContact CG-CB 4.32Å; Y319-L328 WeakPolarHBondContact CA-O 3.47Å; Y319-C329 HydrophobicContact CD1-CB 3.89Å; Y319-C329 HydrophobicContact CE1-CB 3.61Å; Y319-P340 WeakPolarHBondContact CE1-O 3.45Å; Y319-P340 VanDerWaalsContact OH-CD 3.28Å; Y319-P340 WeakPolarHBondContact OH-CD 3.28Å; Y319-P340 PolarHBondContact OH-O 3.33Å; Y319-I343 HydrophobicContact CD1-CD1 4.24Å; Y319-I343 HydrophobicContact CD1-CG1 4.29Å; Y319-I343 HydrophobicContact CD2-CD1 4.04Å; Y319-I343 HydrophobicContact CE1-CD1 3.77Å; Y319-I343 HydrophobicContact CE1-CG1 3.72Å; Y319-I343 HydrophobicContact CE2-CD1 3.54Å; Y319-I343 HydrophobicContact CE2-CG1 4.41Å; Y319-I343 HydrophobicContact CG-CD1 4.36Å | ||
| 320 | V | 93.8 | Very high | 91.4 | Very high | 82 Ų | 82 | 62.8 Ų | 62.8 | 50% | 0.497 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 134.2 | 175.1 | -176.7 | 0 | 0 | 0 | 0 | 109.2 | V322 C327 L328 P330 | V320-V322 PolarHBondContact O-N 2.03Å; V320-C327 WeakPolarHBondContact O-CA 3.44Å; V320-L328 PolarHBondContact N-O 3.31Å; V320-L328 PolarHBondContact O-N 2.02Å; V320-P330 HydrophobicContact CB-CG 4.48Å; V320-P330 HydrophobicContact CG2-CG 3.82Å |
| 321 | Q | 92.3 | Very high | 91.2 | Very high | 60 Ų | 60 | 67.2 Ų | 67.2 | 28% | 0.28 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 126.9 | 176.8 | -166.5 | 171.1 | 15.7 | 0 | 0 | 110.6 | T312 N313 C315 S323 D324 | T312-Q321 PolarHBondContact O-NE2 3.45Å; N313-Q321 VanDerWaalsContact CA-OE1 3.32Å; N313-Q321 PolarHBondContact OD1-OE1 3.14Å; C315-Q321 HydrophobicContact CB-CB 4.33Å; C315-Q321 WeakPolarHBondContact SG-CA 3.49Å; C315-Q321 WeakPolarHBondContact SG-CB 3.45Å; Q321-S323 WeakPolarHBondContact CG-O 3.47Å; Q321-S323 PolarHBondContact NE2-O 3.31Å; Q321-D324 PolarHBondContact NE2-O 3.34Å |
| 322 | V | 92.2 | Very high | 91.1 | Very high | 79 Ų | 79 | 68.1 Ų | 68.1 | 48% | 0.479 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | -21.3 | 174.9 | -63.6 | 0 | 0 | 0 | 0 | 113.2 | V320 R326 L328 | V320-V322 PolarHBondContact O-N 2.03Å; V322-R326 HydrophobicContact CG2-CB 3.88Å; V322-R326 HydrophobicContact CG2-CG 3.68Å; V322-R326 WeakPolarHBondContact CG2-O 3.27Å; V322-R326 PolarHBondContact N-O 2.84Å; V322-L328 HydrophobicContact CB-CD1 4.27Å; V322-L328 HydrophobicContact CB-CG 4.37Å; V322-L328 HydrophobicContact CG1-CB 4.05Å; V322-L328 HydrophobicContact CG1-CD1 3.59Å; V322-L328 HydrophobicContact CG1-CG 3.78Å; V322-L328 HydrophobicContact CG2-CD1 3.91Å; V322-L328 HydrophobicContact CG2-CG 3.69Å |
| 323 | S | 90.6 | Very high | 91.3 | Very high | 59 Ų | 59 | 67.1 Ų | 67.1 | 41% | 0.413 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 171.1 | 167 | 72.4 | 0 | 0 | 0 | 0 | 109.4 | Q321 N325 R326 | Q321-S323 WeakPolarHBondContact CG-O 3.47Å; Q321-S323 PolarHBondContact NE2-O 3.31Å; S323-N325 PolarHBondContact O-N 3.38Å; S323-R326 PolarHBondContact N-O 3.16Å; S323-R326 PolarHBondContact O-N 3.08Å; S323-R326 WeakPolarHBondContact OG-CB 3.03Å; S323-R326 PolarHBondContact OG-N 2.03Å |
| 324 | D | 85.5 | Confident | 91.4 | Very high | 120 Ų | 120 | 67.8 Ų | 67.8 | 64% | 0.642 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48 | -36.4 | -175.7 | -58.9 | -16.8 | 0 | 0 | 0 | 113.8 | R314 Q321 | R314-D324 PolarHBondContact NH1-O 3.05Å; Q321-D324 PolarHBondContact NE2-O 3.34Å |
| 325 | N | 90 | Very high | 91.6 | Very high | 53 Ų | 53 | 71.3 Ų | 71.3 | 28% | 0.283 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | 6.2 | -176.8 | -69.3 | -26.3 | 0 | 0 | 0 | 113.9 | R314 S323 V344 H345 | R314-N325 PolarHBondContact NH1-OD1 2.8Å; R314-N325 VanDerWaalsContact NH1-OD1 3.11Å; S323-N325 PolarHBondContact O-N 3.38Å; N325-V344 CarbonylContact O-C 3.48Å; N325-V344 VanDerWaalsContact O-CA 3.27Å; N325-V344 WeakPolarHBondContact O-CA 3.32Å; N325-H345 WeakPolarHBondContact CB-O 3.03Å; N325-H345 PolarHBondContact O-N 3.31Å |
| 326 | R | 93.1 | Very high | 91.6 | Very high | 116 Ų | 116 | 71 Ų | 71 | 44% | 0.438 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 124.8 | -175.6 | -171.1 | 176.1 | 177.8 | 178.6 | -0.3 | 111.6 | V322 S323 V344 | V322-R326 HydrophobicContact CG2-CB 3.88Å; V322-R326 HydrophobicContact CG2-CG 3.68Å; V322-R326 WeakPolarHBondContact CG2-O 3.27Å; V322-R326 PolarHBondContact N-O 2.84Å; S323-R326 PolarHBondContact N-O 3.16Å; S323-R326 PolarHBondContact O-N 3.08Å; S323-R326 WeakPolarHBondContact OG-CB 3.03Å; S323-R326 PolarHBondContact OG-N 2.03Å; R326-V344 HydrophobicContact CG-CG2 4.12Å |
| 327 | C | 95.1 | Very high | 91.4 | Very high | 2 Ų | 2 | 76.2 Ų | 76.2 | 1% | 0.014 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 134.3 | 173.5 | -54.8 | 0 | 0 | 0 | 0 | 108.8 | C315 Y319 V320 S342 I343 | C315-C327 WeakPolarHBondContact CA-SG 3.38Å; C315-C327 HydrophobicContact CB-CB 3.88Å; C315-C327 WeakPolarHBondContact CB-SG 3.37Å; C315-C327 VanDerWaalsContact SG-CA 3.53Å; C315-C327 WeakPolarHBondContact SG-CB 3.3Å; C315-C327 CovalentContact SG-SG 2.03Å; C315-C327 PolarHBondContact SG-SG 2.9Å; Y319-C327 HydrophobicContact CD1-CB 4.16Å; Y319-C327 HydrophobicContact CG-CB 4.32Å; V320-C327 WeakPolarHBondContact O-CA 3.44Å; C327-S342 CarbonylContact O-C 3.56Å; C327-S342 VanDerWaalsContact O-CA 3.25Å; C327-S342 WeakPolarHBondContact O-CA 3.42Å; C327-I343 HydrophobicContact CB-CB 4.25Å; C327-I343 PolarHBondContact N-O 3.38Å; C327-I343 PolarHBondContact O-N 2.91Å |
| 328 | L | 94.6 | Very high | 91.2 | Very high | 56 Ų | 56 | 76.6 Ų | 76.6 | 29% | 0.293 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 144 | 173.4 | -68.9 | -176.1 | 0 | 0 | 0 | 110.3 | Y319 V320 V322 P330 S342 | Y319-L328 WeakPolarHBondContact CA-O 3.47Å; V320-L328 PolarHBondContact N-O 3.31Å; V320-L328 PolarHBondContact O-N 2.02Å; V322-L328 HydrophobicContact CB-CD1 4.27Å; V322-L328 HydrophobicContact CB-CG 4.37Å; V322-L328 HydrophobicContact CG1-CB 4.05Å; V322-L328 HydrophobicContact CG1-CD1 3.59Å; V322-L328 HydrophobicContact CG1-CG 3.78Å; V322-L328 HydrophobicContact CG2-CD1 3.91Å; V322-L328 HydrophobicContact CG2-CG 3.69Å; L328-P330 WeakPolarHBondContact O-CD 3.03Å; L328-S342 VanDerWaalsContact CD2-CB 3.44Å |
| 329 | C | 94.4 | Very high | 91.1 | Very high | 15 Ų | 15 | 79.7 Ų | 79.7 | 10% | 0.101 | 43% | 0.433 | C | S | . | . | trans | -94.1 | 111 | 169.1 | -137.4 | 0 | 0 | 0 | 0 | 108.4 | Y319 A331 C336 S341 | Y319-C329 HydrophobicContact CD1-CB 3.89Å; Y319-C329 HydrophobicContact CE1-CB 3.61Å; C329-A331 PolarHBondContact O-N 2.75Å; C329-C336 VanDerWaalsContact C-SG 3.54Å; C329-C336 WeakPolarHBondContact CA-SG 3.35Å; C329-C336 HydrophobicContact CB-CB 3.66Å; C329-C336 WeakPolarHBondContact CB-SG 3.27Å; C329-C336 WeakPolarHBondContact SG-CA 3.48Å; C329-C336 WeakPolarHBondContact SG-CB 3.01Å; C329-C336 CovalentContact SG-SG 2.02Å; C329-C336 PolarHBondContact SG-SG 3.43Å; C329-S341 PolarHBondContact N-O 3.39Å | ||
| 330 | P | 92.5 | Very high | 91.1 | Very high | 41 Ų | 41 | 78.4 Ų | 78.4 | 27% | 0.266 | 43% | 0.428 | S | S | . | . | trans | -65.7 | 133.5 | -177.7 | -19.4 | 32.3 | 0 | 0 | 0 | 111.2 | V320 L328 S332 N333 C336 | V320-P330 HydrophobicContact CB-CG 4.48Å; V320-P330 HydrophobicContact CG2-CG 3.82Å; L328-P330 WeakPolarHBondContact O-CD 3.03Å; P330-S332 PolarHBondContact O-N 3.25Å; P330-S332 VanDerWaalsContact O-N 3.11Å; P330-N333 PolarHBondContact O-N 2.85Å; P330-C336 WeakPolarHBondContact O-CB 3.37Å | ||
| 331 | A | 87.1 | Confident | 91 | Very high | 111 Ų | 111 | 76.9 Ų | 76.9 | 92% | 0.917 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -20.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | C329 N333 | C329-A331 PolarHBondContact O-N 2.75Å; A331-N333 VanDerWaalsContact C-N 3.32Å |
| 332 | S | 89.6 | Confident | 91 | Very high | 111 Ų | 111 | 74.5 Ų | 74.5 | 78% | 0.776 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -19.9 | 174.6 | 52.4 | 0 | 0 | 0 | 0 | 113.7 | P330 | P330-S332 PolarHBondContact O-N 3.25Å; P330-S332 VanDerWaalsContact O-N 3.11Å |
| 333 | N | 91.1 | Very high | 91.2 | Very high | 41 Ų | 41 | 71.3 Ų | 71.3 | 22% | 0.219 | 39% | 0.391 | C | S | . | . | trans | -87.8 | 119 | -178.4 | -171.2 | -25.5 | 0 | 0 | 0 | 110 | P318 P330 A331 L335 C336 | P318-N333 WeakPolarHBondContact CB-ND2 3.25Å; P330-N333 PolarHBondContact O-N 2.85Å; A331-N333 VanDerWaalsContact C-N 3.32Å; N333-L335 PolarHBondContact O-N 2.99Å; N333-L335 WeakPolarHBondContact OD1-CB 3.34Å; N333-L335 PolarHBondContact OD1-N 2.69Å; N333-C336 HydrophobicContact CB-CB 4.44Å; N333-C336 VanDerWaalsContact O-CB 3.31Å; N333-C336 WeakPolarHBondContact O-CB 3.02Å; N333-C336 PolarHBondContact O-N 3.41Å | ||
| 334 | P | 91 | Very high | 91.3 | Very high | 110 Ų | 110 | 70.5 Ų | 70.5 | 71% | 0.714 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -62.1 | -26.1 | -179 | 24.8 | -34 | 0 | 0 | 0 | 113.4 | C336 R337 | P334-C336 PolarHBondContact O-N 3.09Å; P334-R337 PolarHBondContact O-N 3.35Å |
| 335 | L | 92.3 | Very high | 91.7 | Very high | 105 Ų | 105 | 65.5 Ų | 65.5 | 55% | 0.55 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -67.5 | -17.3 | 175.7 | -61.7 | 176.1 | 0 | 0 | 0 | 112.8 | P318 N333 Q339 | P318-L335 HydrophobicContact CB-CB 3.83Å; P318-L335 HydrophobicContact CB-CD1 4.3Å; P318-L335 HydrophobicContact CG-CB 3.99Å; N333-L335 PolarHBondContact O-N 2.99Å; N333-L335 WeakPolarHBondContact OD1-CB 3.34Å; N333-L335 PolarHBondContact OD1-N 2.69Å; L335-Q339 VanDerWaalsContact O-CG 3.26Å; L335-Q339 WeakPolarHBondContact O-CG 3.41Å |
| 336 | C | 90.4 | Very high | 91.9 | Very high | 13 Ų | 13 | 69.5 Ų | 69.5 | 9% | 0.088 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -84.6 | -8.4 | -180 | -72.8 | 0 | 0 | 0 | 0 | 114.5 | C329 P330 N333 P334 E338 Q339 | C329-C336 VanDerWaalsContact C-SG 3.54Å; C329-C336 WeakPolarHBondContact CA-SG 3.35Å; C329-C336 HydrophobicContact CB-CB 3.66Å; C329-C336 WeakPolarHBondContact CB-SG 3.27Å; C329-C336 WeakPolarHBondContact SG-CA 3.48Å; C329-C336 WeakPolarHBondContact SG-CB 3.01Å; C329-C336 CovalentContact SG-SG 2.02Å; C329-C336 PolarHBondContact SG-SG 3.43Å; P330-C336 WeakPolarHBondContact O-CB 3.37Å; N333-C336 HydrophobicContact CB-CB 4.44Å; N333-C336 VanDerWaalsContact O-CB 3.31Å; N333-C336 WeakPolarHBondContact O-CB 3.02Å; N333-C336 PolarHBondContact O-N 3.41Å; P334-C336 PolarHBondContact O-N 3.09Å; C336-E338 VanDerWaalsContact C-N 3.32Å; C336-E338 PolarHBondContact O-N 2.73Å; C336-Q339 PolarHBondContact O-N 3.11Å; C336-Q339 VanDerWaalsContact O-N 3.16Å |
| 337 | R | 86.1 | Confident | 92 | Very high | 220 Ų | 220 | 66.7 Ų | 66.7 | 83% | 0.83 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -41.1 | -170.4 | -167.4 | 179.4 | -140.3 | 161.8 | 4.9 | 113.7 | P334 | P334-R337 PolarHBondContact O-N 3.35Š|
| 338 | E | 86.2 | Confident | 92 | Very high | 166 Ų | 166 | 68.4 Ų | 68.4 | 78% | 0.776 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.2 | 7.3 | -179.3 | -60.8 | -60.1 | 144.8 | 0 | 0 | 112.5 | C336 | C336-E338 VanDerWaalsContact C-N 3.32Å; C336-E338 PolarHBondContact O-N 2.73Å |
| 339 | Q | 91.3 | Very high | 92 | Very high | 85 Ų | 85 | 67.8 Ų | 67.8 | 40% | 0.397 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -99.3 | 154.7 | -177.8 | -64.2 | -63.3 | -11.7 | 0 | 0 | 111.2 | L335 C336 S341 | L335-Q339 VanDerWaalsContact O-CG 3.26Å; L335-Q339 WeakPolarHBondContact O-CG 3.41Å; C336-Q339 PolarHBondContact O-N 3.11Å; C336-Q339 VanDerWaalsContact O-N 3.16Å; Q339-S341 PolarHBondContact O-N 3.49Å |
| 340 | P | 93.2 | Very high | 91.9 | Very high | 2 Ų | 2 | 67.4 Ų | 67.4 | 1% | 0.013 | 36% | 0.361 | C | S | . | . | trans | -52.7 | 135.5 | 168.8 | -24.7 | 30.7 | 0 | 0 | 0 | 111.2 | Y319 S342 V431 | Y319-P340 WeakPolarHBondContact CE1-O 3.45Å; Y319-P340 VanDerWaalsContact OH-CD 3.28Å; Y319-P340 WeakPolarHBondContact OH-CD 3.28Å; Y319-P340 PolarHBondContact OH-O 3.33Å; P340-S342 PolarHBondContact O-N 3.01Å; P340-V431 HydrophobicContact CB-CB 4.34Å; P340-V431 HydrophobicContact CB-CG2 3.76Å; P340-V431 HydrophobicContact CG-CB 4.46Å; P340-V431 HydrophobicContact CG-CG2 3.53Å | ||
| 341 | S | 92.5 | Very high | 92 | Very high | 50 Ų | 50 | 66.4 Ų | 66.4 | 35% | 0.35 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -62.6 | -29.2 | -179.1 | 63.6 | 0 | 0 | 0 | 0 | 112.9 | C329 Q339 S429 S430 | C329-S341 PolarHBondContact N-O 3.39Å; Q339-S341 PolarHBondContact O-N 3.49Å; S341-S429 WeakPolarHBondContact CB-O 3.41Å; S341-S429 PolarHBondContact N-O 2.9Å; S341-S429 PolarHBondContact OG-O 2.99Å; S341-S430 PolarHBondContact OG-OG 3.13Å |
| 342 | S | 93.3 | Very high | 92.2 | Very high | 9 Ų | 9 | 61.4 Ų | 61.4 | 6% | 0.063 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 148.9 | 177.1 | 68.6 | 0 | 0 | 0 | 0 | 112 | C327 L328 P340 S430 V431 | C327-S342 CarbonylContact O-C 3.56Å; C327-S342 VanDerWaalsContact O-CA 3.25Å; C327-S342 WeakPolarHBondContact O-CA 3.42Å; L328-S342 VanDerWaalsContact CD2-CB 3.44Å; P340-S342 PolarHBondContact O-N 3.01Å; S342-S430 WeakPolarHBondContact OG-CB 2.94Å; S342-S430 PolarHBondContact OG-OG 3.4Å; S342-V431 PolarHBondContact O-N 2.99Å |
| 343 | I | 94.8 | Very high | 92.1 | Very high | 13 Ų | 13 | 62.3 Ų | 62.3 | 7% | 0.067 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 124 | 169.1 | -59.5 | 177.2 | 0 | 0 | 0 | 107.7 | Y319 C327 V431 R433 | Y319-I343 HydrophobicContact CD1-CD1 4.24Å; Y319-I343 HydrophobicContact CD1-CG1 4.29Å; Y319-I343 HydrophobicContact CD2-CD1 4.04Å; Y319-I343 HydrophobicContact CE1-CD1 3.77Å; Y319-I343 HydrophobicContact CE1-CG1 3.72Å; Y319-I343 HydrophobicContact CE2-CD1 3.54Å; Y319-I343 HydrophobicContact CE2-CG1 4.41Å; Y319-I343 HydrophobicContact CG-CD1 4.36Å; C327-I343 HydrophobicContact CB-CB 4.25Å; C327-I343 PolarHBondContact N-O 3.38Å; C327-I343 PolarHBondContact O-N 2.91Å; I343-V431 CarbonylContact C-O 3.52Å; I343-V431 VanDerWaalsContact CA-O 3.26Å; I343-V431 WeakPolarHBondContact CA-O 3.38Å; I343-V431 HydrophobicContact CG1-CB 4.35Å; I343-R433 HydrophobicContact CG2-CB 4.12Å |
| 344 | V | 94.2 | Very high | 92 | Very high | 42 Ų | 42 | 65.5 Ų | 65.5 | 26% | 0.255 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 128.9 | 173.5 | 180 | 0 | 0 | 0 | 0 | 108.9 | N325 R326 V431 L432 R433 | N325-V344 CarbonylContact O-C 3.48Å; N325-V344 VanDerWaalsContact O-CA 3.27Å; N325-V344 WeakPolarHBondContact O-CA 3.32Å; R326-V344 HydrophobicContact CG-CG2 4.12Å; V344-V431 PolarHBondContact N-O 3.32Å; V344-L432 HydrophobicContact CB-CD1 4.26Å; V344-L432 HydrophobicContact CG1-CD1 4.21Å; V344-L432 CarbonylContact O-C 3.53Å; V344-L432 WeakPolarHBondContact O-CA 3.29Å; V344-R433 PolarHBondContact O-N 2.69Å |
| 345 | H | 93.9 | Very high | 92 | Very high | 14 Ų | 14 | 65 Ų | 65 | 7% | 0.065 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 132.3 | 175.8 | -65.7 | 86.3 | 0 | 0 | 0 | 110.3 | N325 R433 | N325-H345 WeakPolarHBondContact CB-O 3.03Å; N325-H345 PolarHBondContact O-N 3.31Å; H345-R433 WeakPolarHBondContact CA-O 3.25Å |
| 346 | R | 94.1 | Very high | 91.9 | Very high | 137 Ų | 137 | 62.6 Ų | 62.6 | 52% | 0.517 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 149.1 | 171.2 | -72.9 | -66.3 | -169.6 | 172.4 | 0.7 | 109.8 | L432 R433 L434 T435 | R346-L432 HydrophobicContact CB-CD1 3.88Å; R346-L432 HydrophobicContact CG-CD1 3.5Å; R346-R433 PolarHBondContact N-O 2.98Å; R346-L434 HydrophobicContact CB-CD1 3.84Å; R346-L434 WeakPolarHBondContact O-CA 3.25Å; R346-T435 PolarHBondContact O-N 3.11Å |
| 347 | Y | 94.1 | Very high | 92.1 | Very high | 57 Ų | 57 | 66.7 Ų | 66.7 | 22% | 0.224 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 142.5 | 177 | -56.2 | -86.5 | 0 | 0 | 0 | 108.4 | V301 V310 R314 T435 F437 | V301-Y347 HydrophobicContact CG1-CD1 4.14Å; V301-Y347 HydrophobicContact CG1-CD2 4.33Å; V301-Y347 HydrophobicContact CG1-CG 3.77Å; V301-Y347 HydrophobicContact CG2-CD1 4.46Å; V301-Y347 HydrophobicContact CG2-CD2 3.85Å; V301-Y347 HydrophobicContact CG2-CE2 4.08Å; V301-Y347 HydrophobicContact CG2-CG 4.06Å; V310-Y347 HydrophobicContact CG1-CE1 3.98Å; V310-Y347 HydrophobicContact CG2-CE2 4.47Å; R314-Y347 PolarHBondContact NE-OH 2.98Å; Y347-T435 CarbonylContact C-O 3.58Å; Y347-T435 WeakPolarHBondContact CA-O 3.48Å; Y347-T435 HydrophobicContact CD1-CG2 4.07Å; Y347-T435 HydrophobicContact CE1-CG2 4.35Å; Y347-F437 AromaticContact CD1-CE2 3.88Å; Y347-F437 HydrophobicContact CD1-CE2 3.88Å; Y347-F437 HydrophobicContact CD1-CZ 4.3Å |
| 348 | M | 94.4 | Very high | 92.5 | Very high | 39 Ų | 39 | 56.7 Ų | 56.7 | 19% | 0.192 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 162.9 | 171 | 67.9 | 175.7 | -62.9 | 0 | 0 | 110.2 | I350 V360 F361 L434 T435 V436 F437 | M348-I350 HydrophobicContact CE-CG2 3.81Å; M348-V360 HydrophobicContact CE-CG1 3.41Å; M348-V360 VanDerWaalsContact CE-CG1 3.41Å; M348-V360 WeakPolarHBondContact CE-O 3.5Å; M348-V360 HydrophobicContact SD-CG1 3.79Å; M348-F361 HydrophobicContact SD-CB 4Å; M348-F361 HydrophobicContact SD-CD2 3.89Å; M348-F361 HydrophobicContact SD-CG 4.31Å; M348-L434 HydrophobicContact CG-CD1 3.94Å; M348-L434 HydrophobicContact CG-CG 4.39Å; M348-L434 HydrophobicContact SD-CD1 4Å; M348-L434 HydrophobicContact SD-CD2 3.84Å; M348-L434 HydrophobicContact SD-CG 4.25Å; M348-T435 PolarHBondContact N-O 2.75Å; M348-V436 HydrophobicContact CG-CB 4.25Å; M348-V436 HydrophobicContact CG-CG1 4.14Å; M348-V436 HydrophobicContact CG-CG2 3.84Å; M348-V436 WeakPolarHBondContact O-CA 3.01Å; M348-V436 HydrophobicContact SD-CG2 4.04Å; M348-F437 PolarHBondContact O-N 2.96Å |
| 349 | T | 94.5 | Very high | 93 | Very high | 43 Ų | 43 | 52.4 Ų | 52.4 | 26% | 0.264 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 145.4 | 176.5 | -174.5 | 0 | 0 | 0 | 0 | 110 | H304 F437 | H304-T349 WeakPolarHBondContact CB-OG1 3.46Å; H304-T349 VanDerWaalsContact CD2-CG2 3.5Å; H304-T349 WeakPolarHBondContact CD2-CG2 3.29Å; H304-T349 PolarHBondContact CD2-OG1 3.08Å; H304-T349 PolarHBondContact N-OG1 3.08Å; H304-T349 VanDerWaalsContact N-OG1 3.11Å; T349-F437 CarbonylContact C-O 3.59Å; T349-F437 VanDerWaalsContact CA-O 3.28Å; T349-F437 WeakPolarHBondContact CA-O 3.01Å |
| 350 | I | 94.3 | Very high | 93.1 | Very high | 7 Ų | 7 | 49.5 Ų | 49.5 | 4% | 0.036 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 152.2 | 168.8 | 62.6 | 177.6 | 0 | 0 | 0 | 109.4 | M348 V360 V405 V436 F437 V438 G439 | M348-I350 HydrophobicContact CE-CG2 3.81Å; I350-V360 HydrophobicContact CG2-CG1 4.06Å; I350-V405 HydrophobicContact CD1-CG2 3.84Å; I350-V436 HydrophobicContact CD1-CG1 3.79Å; I350-V436 HydrophobicContact CG1-CG1 3.79Å; I350-V436 HydrophobicContact CG2-CG1 4.23Å; I350-F437 PolarHBondContact N-O 3.22Å; I350-V438 HydrophobicContact CD1-CG2 4Å; I350-V438 HydrophobicContact CG1-CB 4.36Å; I350-V438 HydrophobicContact CG1-CG1 4.34Å; I350-V438 HydrophobicContact CG1-CG2 3.88Å; I350-V438 CarbonylContact O-C 3.58Å; I350-V438 WeakPolarHBondContact O-CA 3.33Å; I350-G439 PolarHBondContact O-N 3.01Å |
| 351 | T | 93.3 | Very high | 93.2 | Very high | 20 Ų | 20 | 52 Ų | 52 | 12% | 0.123 | 27% | 0.274 | C | S | . | . | trans | -81.2 | 157.1 | 175.8 | 53.6 | 0 | 0 | 0 | 0 | 111.8 | T442 | T351-T442 WeakPolarHBondContact CB-O 3.49Å; T351-T442 PolarHBondContact OG1-O 3.3Å | ||
| 352 | S | 92.6 | Very high | 93.3 | Very high | 5 Ų | 5 | 54.4 Ų | 54.4 | 4% | 0.035 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | 153.7 | 174.3 | -159.9 | 0 | 0 | 0 | 0 | 111.2 | R354 T406 G407 G439 Y441 T442 | S352-R354 PolarHBondContact O-N 3.22Å; S352-T406 WeakPolarHBondContact OG-CA 3.41Å; S352-G407 PolarHBondContact OG-N 3.42Å; S352-G439 WeakPolarHBondContact CB-O 3.37Å; S352-Y441 WeakPolarHBondContact CB-O 3.45Å; S352-Y441 PolarHBondContact N-O 3.43Å; S352-T442 WeakPolarHBondContact O-CG2 3.22Å |
| 353 | E | 87.6 | Confident | 93.3 | Very high | 131 Ų | 131 | 54.8 Ų | 54.8 | 61% | 0.612 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 28.2 | 170.7 | -48.8 | -167.2 | 147.7 | 0 | 0 | 115.3 | V405 T442 | E353-V405 PolarHBondContact N-O 2.97Å; E353-T442 HydrophobicContact CB-CG2 3.98Å; E353-T442 HydrophobicContact CG-CG2 4.3Å |
| 354 | R | 87.8 | Confident | 93.1 | Very high | 107 Ų | 107 | 60.5 Ų | 60.5 | 40% | 0.404 | 31% | 0.307 | S | S | . | . | trans | -56.6 | 142.3 | 174.8 | -164.7 | 176.6 | -177.2 | 109.3 | -6.1 | 110.5 | S352 A358 L401 | S352-R354 PolarHBondContact O-N 3.22Å; R354-A358 HydrophobicContact CG-CB 4.36Å; R354-L401 HydrophobicContact CB-CD2 4.4Å | ||
| 355 | S | 91.1 | Very high | 92.7 | Very high | 100 Ų | 100 | 58.9 Ų | 58.9 | 70% | 0.699 | 30% | 0.298 | S | S | * | . | trans | -58.6 | 139.8 | 174.1 | 53.7 | 0 | 0 | 0 | 0 | 111 | A358 | S355-A358 WeakPolarHBondContact O-CB 3.47Š| ||
| 356 | V | 91.4 | Very high | 91.8 | Very high | 55 Ų | 55 | 64.6 Ų | 64.6 | 33% | 0.333 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -123.3 | 148.2 | -179.6 | -65.7 | 0 | 0 | 0 | 0 | 111.9 | L401 P404 | V356-L401 HydrophobicContact CG1-CB 4.36Å; V356-L401 HydrophobicContact CG1-CD2 3.75Å; V356-L401 HydrophobicContact CG1-CG 3.84Å; V356-P404 HydrophobicContact CG1-CG 4.47Å; V356-P404 HydrophobicContact CG2-CG 3.94Å |
| 357 | P | 94 | Very high | 90.7 | Very high | 98 Ų | 98 | 60.8 Ų | 60.8 | 64% | 0.636 | 33% | 0.328 | S | S | * | . | S | Bend | cis | -73 | 139 | -1.6 | 30.2 | -34.1 | 0 | 0 | 0 | 112.6 | V400 L401 | P357-V400 HydrophobicContact CB-CG1 3.91Å; P357-L401 VanDerWaalsContact CA-O 3.3Å; P357-L401 WeakPolarHBondContact CA-O 3.27Å |
| 358 | A | 94.8 | Very high | 89.6 | Confident | 10 Ų | 10 | 63 Ų | 63 | 8% | 0.083 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 133.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | R354 S355 V360 V400 L401 | R354-A358 HydrophobicContact CG-CB 4.36Å; S355-A358 WeakPolarHBondContact O-CB 3.47Å; A358-V360 PolarHBondContact O-N 3.23Å; A358-V400 CarbonylContact O-C 3.6Å; A358-V400 WeakPolarHBondContact O-CA 3.42Å; A358-V400 WeakPolarHBondContact O-CG1 3.38Å; A358-L401 HydrophobicContact CB-CB 4.35Å; A358-L401 PolarHBondContact N-O 3.23Å; A358-L401 PolarHBondContact O-N 2.86Å |
| 359 | D | 95.2 | Very high | 88.5 | Confident | 77 Ų | 77 | 67 Ų | 67 | 41% | 0.412 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 121 | 169.9 | -70.6 | -20.5 | 0 | 0 | 0 | 109.1 | R390 M398 V400 | D359-R390 IonicContact OD1-CZ 3.72Å; D359-R390 IonicContact OD1-NH2 2.81Å; D359-R390 PolarHBondContact OD1-NH2 2.87Å; D359-R390 IonicContact OD2-NH2 2.77Å; D359-R390 PolarHBondContact OD2-NH2 2.04Å; D359-M398 HydrophobicContact CB-CE 4.15Å; D359-M398 HydrophobicContact CB-CG 3.81Å; D359-M398 HydrophobicContact CB-SD 3.83Å; D359-M398 WeakPolarHBondContact OD1-CG 3.46Å; D359-V400 WeakPolarHBondContact OD1-CG2 3.35Å |
| 360 | V | 94.2 | Very high | 87.4 | Confident | 24 Ų | 24 | 70.7 Ų | 70.7 | 15% | 0.145 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | -49.8 | -172.2 | 177.9 | 0 | 0 | 0 | 0 | 111.1 | M348 I350 A358 F387 L399 L401 | M348-V360 HydrophobicContact CE-CG1 3.41Å; M348-V360 VanDerWaalsContact CE-CG1 3.41Å; M348-V360 WeakPolarHBondContact CE-O 3.5Å; M348-V360 HydrophobicContact SD-CG1 3.79Å; I350-V360 HydrophobicContact CG2-CG1 4.06Å; A358-V360 PolarHBondContact O-N 3.23Å; V360-F387 HydrophobicContact CG2-CE1 4.46Å; V360-L399 HydrophobicContact CG1-CD2 4.49Å; V360-L399 PolarHBondContact N-O 3.43Å; V360-L401 HydrophobicContact CG2-CB 3.66Å |
| 361 | F | 95.4 | Very high | 86.5 | Confident | 54 Ų | 54 | 73 Ų | 73 | 24% | 0.237 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 126.6 | -172.5 | -171.6 | -89.6 | 0 | 0 | 0 | 111.5 | M348 I363 M398 L399 L432 L434 | M348-F361 HydrophobicContact SD-CB 4Å; M348-F361 HydrophobicContact SD-CD2 3.89Å; M348-F361 HydrophobicContact SD-CG 4.31Å; F361-I363 HydrophobicContact CD1-CG1 4.08Å; F361-I363 HydrophobicContact CE1-CG1 4.34Å; F361-M398 VanDerWaalsContact C-SD 3.53Å; F361-L399 HydrophobicContact CB-CB 4.13Å; F361-L399 HydrophobicContact CB-CD2 4.29Å; F361-L399 PolarHBondContact N-O 3.38Å; F361-L399 WeakPolarHBondContact O-CB 3.07Å; F361-L399 PolarHBondContact O-N 3.33Å; F361-L432 HydrophobicContact CD1-CD2 4.22Å; F361-L432 HydrophobicContact CE1-CD2 3.42Å; F361-L432 VanDerWaalsContact CE1-CD2 3.42Å; F361-L432 HydrophobicContact CZ-CD2 3.99Å; F361-L434 HydrophobicContact CB-CD2 4.04Å; F361-L434 HydrophobicContact CD1-CD2 4.28Å; F361-L434 HydrophobicContact CD2-CD1 4.22Å; F361-L434 HydrophobicContact CD2-CD2 4.37Å; F361-L434 HydrophobicContact CE2-CD1 4.26Å; F361-L434 HydrophobicContact CG-CD2 3.97Å |
| 362 | Q | 94.9 | Very high | 85.9 | Confident | 100 Ų | 100 | 72.4 Ų | 72.4 | 47% | 0.467 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 123.7 | 175.9 | -172.1 | 174.5 | -15.9 | 0 | 0 | 110.7 | M398 | Q362-M398 HydrophobicContact CB-CE 3.89Å; Q362-M398 HydrophobicContact CB-SD 4.01Å; Q362-M398 HydrophobicContact CG-CE 4.22Å |
| 363 | I | 92.9 | Very high | 85.5 | Confident | 17 Ų | 17 | 77.4 Ų | 77.4 | 9% | 0.087 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 133.6 | 173.8 | -45.7 | 169.6 | 0 | 0 | 0 | 107.9 | F361 F376 I389 S396 A397 L415 | F361-I363 HydrophobicContact CD1-CG1 4.08Å; F361-I363 HydrophobicContact CE1-CG1 4.34Å; I363-F376 HydrophobicContact CB-CD1 4.34Å; I363-F376 HydrophobicContact CB-CE1 4.4Å; I363-F376 HydrophobicContact CG2-CD1 3.9Å; I363-F376 HydrophobicContact CG2-CE1 3.81Å; I363-I389 HydrophobicContact CD1-CD1 3.88Å; I363-S396 CarbonylContact O-C 3.57Å; I363-S396 WeakPolarHBondContact O-CA 3.48Å; I363-S396 VanDerWaalsContact O-CB 3.32Å; I363-S396 WeakPolarHBondContact O-CB 3.47Å; I363-A397 PolarHBondContact N-O 3.07Å; I363-A397 PolarHBondContact O-N 3.4Å; I363-L415 HydrophobicContact CD1-CB 4.05Å; I363-L415 HydrophobicContact CD1-CD1 3.86Å; I363-L415 HydrophobicContact CD1-CG 4.46Å; I363-L415 HydrophobicContact CG1-CD1 4.28Å |
| 364 | Q | 90.4 | Very high | 85.6 | Confident | 134 Ų | 134 | 71.3 Ų | 71.3 | 63% | 0.626 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 133.5 | 177.2 | -172.1 | 169.5 | -4.3 | 0 | 0 | 111.1 | V395 | Q364-V395 CarbonylContact C-O 3.11Å; Q364-V395 WeakPolarHBondContact CA-O 3.06Å |
| 365 | A | 86 | Confident | 85.8 | Confident | 7 Ų | 7 | 67.2 Ų | 67.2 | 6% | 0.058 | 39% | 0.389 | C | S | . | . | trans | -69.2 | 129 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | S367 V395 M417 | A365-S367 VanDerWaalsContact C-N 3.32Å; A365-V395 HydrophobicContact CB-CB 4.37Å; A365-V395 PolarHBondContact N-O 3.47Å; A365-M417 HydrophobicContact CB-CE 4.48Å; A365-M417 HydrophobicContact CB-SD 3.59Å; A365-M417 VanDerWaalsContact CB-SD 3.59Å | ||
| 366 | T | 74.9 | Confident | 86 | Confident | 134 Ų | 134 | 63.3 Ų | 63.3 | 82% | 0.822 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -79 | -17 | 178.4 | 53.4 | 0 | 0 | 0 | 0 | 113.3 | ||
| 367 | S | 71.1 | Confident | 86.1 | Confident | 57 Ų | 57 | 65.2 Ų | 65.2 | 40% | 0.399 | 36% | 0.364 | S | S | . | . | trans | -134 | 121.8 | -171.5 | -52.4 | 0 | 0 | 0 | 0 | 109.2 | A365 | A365-S367 VanDerWaalsContact C-N 3.32Š| ||
| 368 | V | 70.2 | Confident | 86.2 | Confident | 104 Ų | 104 | 62.4 Ų | 62.4 | 63% | 0.63 | 34% | 0.343 | S | S | * | . | trans | -112.1 | 107.6 | -179.9 | -172.6 | 0 | 0 | 0 | 0 | 107.8 | V395 | V368-V395 HydrophobicContact CG1-CG1 4.17Å; V368-V395 HydrophobicContact CG2-CG1 3.7Å | ||
| 369 | Y | 71.9 | Confident | 86.3 | Confident | 123 Ų | 123 | 67.1 Ų | 67.1 | 48% | 0.482 | 36% | 0.359 | S | S | . | . | trans | -93.3 | 136.2 | 174.5 | -59.8 | -80.4 | 0 | 0 | 0 | 109.6 | G371 A372 | Y369-G371 PolarHBondContact O-N 2.75Å; Y369-A372 WeakPolarHBondContact O-CB 3.42Å; Y369-A372 PolarHBondContact O-N 3.09Å | ||
| 370 | P | 72.4 | Confident | 86.3 | Confident | 120 Ų | 120 | 65.6 Ų | 65.6 | 78% | 0.779 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | 124.8 | 172.3 | -23.7 | 33.3 | 0 | 0 | 0 | 110.8 | A372 | P370-A372 VanDerWaalsContact C-N 3.28Å; P370-A372 PolarHBondContact O-N 3.13Å |
| 371 | G | 75.2 | Confident | 86.3 | Confident | 55 Ų | 55 | 66.3 Ų | 66.3 | 57% | 0.567 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78 | 1.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y369 | Y369-G371 PolarHBondContact O-N 2.75Š|
| 372 | A | 79.8 | Confident | 86.3 | Confident | 9 Ų | 9 | 65.5 Ų | 65.5 | 7% | 0.074 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 141.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y369 P370 N394 T419 M420 N421 | Y369-A372 WeakPolarHBondContact O-CB 3.42Å; Y369-A372 PolarHBondContact O-N 3.09Å; P370-A372 VanDerWaalsContact C-N 3.28Å; P370-A372 PolarHBondContact O-N 3.13Å; A372-N394 PolarHBondContact O-ND2 2.9Å; A372-T419 HydrophobicContact CB-CG2 4.03Å; A372-M420 CarbonylContact C-O 3.58Å; A372-M420 VanDerWaalsContact CA-O 3.27Å; A372-M420 WeakPolarHBondContact CA-O 3.08Å; A372-N421 HydrophobicContact CB-CB 4.25Å |
| 373 | Y | 85.4 | Confident | 86.2 | Confident | 109 Ų | 109 | 66.3 Ų | 66.3 | 43% | 0.427 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 142.4 | 170.6 | 118.9 | -92.7 | 0 | 0 | 0 | 110.5 | A375 N394 M420 | Y373-A375 HydrophobicContact CE2-CB 3.8Å; Y373-A375 WeakPolarHBondContact OH-CB 3.02Å; Y373-N394 WeakPolarHBondContact CA-OD1 3.47Å; Y373-N394 WeakPolarHBondContact CB-OD1 3.03Å; Y373-M420 HydrophobicContact CD1-CB 3.81Å; Y373-M420 HydrophobicContact CE1-CB 3.91Å; Y373-M420 HydrophobicContact CE1-CG 4.15Å; Y373-M420 HydrophobicContact CE1-SD 3.75Å; Y373-M420 PolarHBondContact N-O 2.74Å; Y373-M420 PolarHBondContact O-N 3.5Å |
| 374 | N | 89.5 | Confident | 86.2 | Confident | 4 Ų | 4 | 70.8 Ų | 70.8 | 2% | 0.021 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 127.5 | 176.1 | -56.8 | -58.5 | 0 | 0 | 0 | 110.4 | F376 Q391 N394 M417 V418 T419 | N374-F376 HydrophobicContact CB-CE2 3.84Å; N374-F376 HydrophobicContact CB-CZ 3.93Å; N374-Q391 PolarHBondContact O-NE2 3.41Å; N374-N394 WeakPolarHBondContact CB-O 3.3Å; N374-N394 PolarHBondContact N-OD1 2.82Å; N374-N394 PolarHBondContact ND2-O 3.1Å; N374-M417 HydrophobicContact CB-CG 4.2Å; N374-M417 HydrophobicContact CB-SD 4.42Å; N374-V418 WeakPolarHBondContact CA-O 3.4Å; N374-T419 WeakPolarHBondContact OD1-CB 3.48Å; N374-T419 WeakPolarHBondContact OD1-CG2 3.18Å; N374-T419 PolarHBondContact OD1-OG1 2.87Å |
| 375 | A | 91 | Very high | 86.3 | Confident | 21 Ų | 21 | 65.9 Ų | 65.9 | 17% | 0.174 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 136.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y373 M417 V418 | Y373-A375 HydrophobicContact CE2-CB 3.8Å; Y373-A375 WeakPolarHBondContact OH-CB 3.02Å; A375-M417 CarbonylContact O-C 3.51Å; A375-M417 WeakPolarHBondContact O-CA 3.35Å; A375-V418 HydrophobicContact CB-CB 4.36Å; A375-V418 PolarHBondContact N-O 2.89Å; A375-V418 PolarHBondContact O-N 3.37Å |
| 376 | F | 94.5 | Very high | 86.7 | Confident | 17 Ų | 17 | 66.2 Ų | 66.2 | 8% | 0.075 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 129.8 | 178.4 | -59.9 | -88.8 | 0 | 0 | 0 | 109.6 | I363 N374 I389 A397 E416 M417 | I363-F376 HydrophobicContact CB-CD1 4.34Å; I363-F376 HydrophobicContact CB-CE1 4.4Å; I363-F376 HydrophobicContact CG2-CD1 3.9Å; I363-F376 HydrophobicContact CG2-CE1 3.81Å; N374-F376 HydrophobicContact CB-CE2 3.84Å; N374-F376 HydrophobicContact CB-CZ 3.93Å; F376-I389 HydrophobicContact CB-CD1 4.33Å; F376-I389 HydrophobicContact CB-CG2 3.94Å; F376-A397 HydrophobicContact CB-CB 3.7Å; F376-A397 HydrophobicContact CD1-CB 4.16Å; F376-A397 HydrophobicContact CD2-CB 3.64Å; F376-A397 HydrophobicContact CE2-CB 4.28Å; F376-A397 HydrophobicContact CG-CB 3.57Å; F376-E416 WeakPolarHBondContact CA-O 3.25Å; F376-M417 HydrophobicContact CD1-CB 4.07Å; F376-M417 HydrophobicContact CD1-CG 3.98Å; F376-M417 HydrophobicContact CE1-CB 4.03Å; F376-M417 HydrophobicContact CE1-CG 3.58Å; F376-M417 HydrophobicContact CE1-SD 3.74Å; F376-M417 HydrophobicContact CZ-CG 4.12Å; F376-M417 HydrophobicContact CZ-SD 4.09Å |
| 377 | Q | 94.9 | Very high | 87.7 | Confident | 95 Ų | 95 | 60 Ų | 60 | 44% | 0.444 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 158.2 | 179.5 | 66.1 | -177.8 | 10.8 | 0 | 0 | 112.2 | E416 | Q377-E416 HydrophobicContact CG-CB 4.02Å; Q377-E416 PolarHBondContact N-O 2.99Å; Q377-E416 PolarHBondContact NE2-OE2 2.86Å; Q377-E416 PolarHBondContact O-N 3.15Å |
| 378 | I | 96.7 | Very high | 88.9 | Confident | 39 Ų | 39 | 61.6 Ų | 61.6 | 20% | 0.2 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 108.5 | 170.4 | -51 | 177.8 | 0 | 0 | 0 | 107.2 | A380 N382 F387 I389 L399 L415 | I378-A380 WeakPolarHBondContact CG2-O 3.22Å; I378-N382 HydrophobicContact CD1-CB 4.34Å; I378-N382 HydrophobicContact CG2-CB 3.7Å; I378-F387 HydrophobicContact CD1-CB 4Å; I378-I389 HydrophobicContact CD1-CG1 4.2Å; I378-I389 HydrophobicContact CG1-CD1 3.82Å; I378-I389 HydrophobicContact CG1-CG1 3.71Å; I378-L399 HydrophobicContact CD1-CD1 3.94Å; I378-L399 HydrophobicContact CG1-CD1 4.45Å; I378-L415 HydrophobicContact CB-CD2 4.48Å; I378-L415 HydrophobicContact CG1-CD2 3.96Å; I378-L415 HydrophobicContact CG2-CD2 4.27Å |
| 379 | R | 95.4 | Very high | 90.2 | Very high | 109 Ų | 109 | 58.4 Ų | 58.4 | 41% | 0.411 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | -39.7 | -177.9 | -174 | -177.7 | -174.8 | -143.4 | 5.8 | 112 | D414 E416 | R379-D414 HydrophobicContact CB-CB 4.24Å; R379-D414 WeakPolarHBondContact CB-O 3.27Å; R379-D414 PolarHBondContact N-O 2.97Å; R379-E416 HydrophobicContact CB-CB 4Å |
| 380 | A | 96 | Very high | 91.3 | Very high | 46 Ų | 46 | 58 Ų | 58 | 38% | 0.38 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 167.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I378 D414 | I378-A380 WeakPolarHBondContact CG2-O 3.22Å; A380-D414 HydrophobicContact CB-CB 4.08Å; A380-D414 PolarHBondContact N-O 2.97Å; A380-D414 PolarHBondContact O-N 3.11Å |
| 381 | G | 94.5 | Very high | 92.3 | Very high | 38 Ų | 38 | 56.8 Ų | 56.8 | 39% | 0.392 | 31% | 0.311 | S | S | . | . | S | Bend | trans | 92.4 | -3.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | V412 L413 | G381-V412 WeakPolarHBondContact CA-O 3.19Å; G381-L413 VanDerWaalsContact C-CD2 3.47Å; G381-L413 VanDerWaalsContact O-CD2 3.25Å; G381-L413 WeakPolarHBondContact O-CD2 3.18Å |
| 382 | N | 94.9 | Very high | 93.2 | Very high | 38 Ų | 38 | 58.2 Ų | 58.2 | 20% | 0.203 | 31% | 0.305 | C | S | . | . | trans | -119.8 | 46.7 | -174.9 | -173.7 | 42.4 | 0 | 0 | 0 | 113 | I378 Q384 G385 D386 F387 L413 | I378-N382 HydrophobicContact CD1-CB 4.34Å; I378-N382 HydrophobicContact CG2-CB 3.7Å; N382-Q384 VanDerWaalsContact C-N 3.26Å; N382-Q384 PolarHBondContact O-N 3.14Å; N382-G385 PolarHBondContact O-N 3.32Å; N382-D386 PolarHBondContact OD1-N 2.84Å; N382-D386 VanDerWaalsContact OD1-N 3.09Å; N382-F387 PolarHBondContact ND2-O 2.92Å; N382-F387 PolarHBondContact OD1-N 2.94Å; N382-L413 HydrophobicContact CB-CD2 4.13Å | ||
| 383 | S | 92.4 | Very high | 93.6 | Very high | 116 Ų | 116 | 61.4 Ų | 61.4 | 81% | 0.811 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -26.7 | -176.5 | 54.4 | 0 | 0 | 0 | 0 | 114.1 | ||
| 384 | Q | 92.1 | Very high | 93.7 | Very high | 111 Ų | 111 | 59.5 Ų | 59.5 | 52% | 0.519 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -10.1 | 179.4 | -61.1 | -60.6 | -36.9 | 0 | 0 | 113.3 | N382 D386 R403 | N382-Q384 VanDerWaalsContact C-N 3.26Å; N382-Q384 PolarHBondContact O-N 3.14Å; Q384-D386 VanDerWaalsContact C-N 3.3Å; Q384-R403 PolarHBondContact O-NH1 2.81Å |
| 385 | G | 92.9 | Very high | 93.7 | Very high | 32 Ų | 32 | 61 Ų | 61 | 33% | 0.33 | 33% | 0.327 | S | S | . | . | trans | 68.9 | 27.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | N382 F387 | N382-G385 PolarHBondContact O-N 3.32Å; G385-F387 PolarHBondContact O-N 3.42Å | ||
| 386 | D | 94.6 | Very high | 93.8 | Very high | 14 Ų | 14 | 60.2 Ų | 60.2 | 8% | 0.075 | 32% | 0.32 | C | S | . | . | trans | -68.5 | -24.1 | 178.5 | -63.8 | -25.6 | 0 | 0 | 0 | 111.3 | N382 Q384 A402 V405 Y411 | N382-D386 PolarHBondContact OD1-N 2.84Å; N382-D386 VanDerWaalsContact OD1-N 3.09Å; Q384-D386 VanDerWaalsContact C-N 3.3Å; D386-A402 PolarHBondContact O-N 2.85Å; D386-V405 HydrophobicContact CB-CG1 4.3Å; D386-Y411 HydrophobicContact CB-CE1 4.38Å; D386-Y411 VanDerWaalsContact OD2-CE1 3.26Å; D386-Y411 WeakPolarHBondContact OD2-CE1 3.43Å; D386-Y411 PolarHBondContact OD2-OH 2.87Å | ||
| 387 | F | 96.5 | Very high | 93.8 | Very high | 3 Ų | 3 | 59.4 Ų | 59.4 | 1% | 0.013 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 156.2 | 179.4 | -57.7 | -89.5 | 0 | 0 | 0 | 112.1 | V360 I378 N382 G385 L399 V400 L401 Y411 L413 | V360-F387 HydrophobicContact CG2-CE1 4.46Å; I378-F387 HydrophobicContact CD1-CB 4Å; N382-F387 PolarHBondContact ND2-O 2.92Å; N382-F387 PolarHBondContact OD1-N 2.94Å; G385-F387 PolarHBondContact O-N 3.42Å; F387-L399 HydrophobicContact CB-CD1 3.89Å; F387-L399 HydrophobicContact CD1-CD1 4.33Å; F387-L399 HydrophobicContact CD1-CD2 4.11Å; F387-L399 HydrophobicContact CD1-CG 4.08Å; F387-L399 HydrophobicContact CG-CD1 4.41Å; F387-V400 CarbonylContact C-O 3.59Å; F387-V400 VanDerWaalsContact CA-O 3.3Å; F387-V400 WeakPolarHBondContact CA-O 3.46Å; F387-L401 HydrophobicContact CD1-CD1 3.97Å; F387-L401 HydrophobicContact CE1-CD1 3.5Å; F387-L401 HydrophobicContact CE2-CD1 4.43Å; F387-L401 HydrophobicContact CZ-CD1 3.76Å; F387-Y411 AromaticContact CE2-CD1 3.73Å; F387-Y411 HydrophobicContact CE2-CD1 3.73Å; F387-Y411 HydrophobicContact CE2-CD2 4.18Å; F387-Y411 AromaticContact CE2-CE1 3.94Å; F387-Y411 HydrophobicContact CE2-CE1 3.94Å; F387-Y411 HydrophobicContact CE2-CE2 4.4Å; F387-Y411 AromaticContact CE2-CG 3.84Å; F387-Y411 HydrophobicContact CE2-CG 3.84Å; F387-Y411 HydrophobicContact CZ-CD2 4.36Å; F387-Y411 HydrophobicContact CZ-CG 4.35Å; F387-L413 HydrophobicContact CD1-CD1 4.27Å; F387-L413 HydrophobicContact CD2-CD1 3.91Å; F387-L413 HydrophobicContact CD2-CD2 4.23Å; F387-L413 HydrophobicContact CE1-CD1 4.47Å; F387-L413 HydrophobicContact CE2-CD1 4.16Å; F387-L413 HydrophobicContact CG-CD1 3.98Å; F387-L413 HydrophobicContact CZ-CD1 4.42Å |
| 388 | Y | 97 | Very high | 93.9 | Very high | 91 Ų | 91 | 55.9 Ų | 55.9 | 36% | 0.357 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 161 | 164.3 | 68.8 | -80.6 | 0 | 0 | 0 | 110.4 | R390 V400 A402 | Y388-R390 HydrophobicContact CE2-CB 4.17Å; Y388-V400 HydrophobicContact CD1-CB 4.04Å; Y388-V400 HydrophobicContact CD1-CG1 4.42Å; Y388-V400 HydrophobicContact CD2-CB 4.45Å; Y388-V400 HydrophobicContact CE1-CB 3.59Å; Y388-V400 HydrophobicContact CE1-CG1 3.55Å; Y388-V400 HydrophobicContact CE2-CB 4.03Å; Y388-V400 HydrophobicContact CE2-CG1 4.44Å; Y388-V400 HydrophobicContact CE2-CG2 4.18Å; Y388-V400 HydrophobicContact CG-CB 4.46Å; Y388-V400 PolarHBondContact N-O 2.03Å; Y388-V400 PolarHBondContact O-N 2.74Å; Y388-V400 WeakPolarHBondContact OH-CG1 3.02Å; Y388-A402 HydrophobicContact CD1-CB 3.64Å; Y388-A402 HydrophobicContact CE1-CB 3.9Å |
| 389 | I | 96.8 | Very high | 93.9 | Very high | 36 Ų | 36 | 54 Ų | 54 | 19% | 0.185 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 128.7 | 174.8 | -73.7 | -174 | 0 | 0 | 0 | 109.7 | I363 F376 I378 A397 M398 L399 L415 | I363-I389 HydrophobicContact CD1-CD1 3.88Å; F376-I389 HydrophobicContact CB-CD1 4.33Å; F376-I389 HydrophobicContact CB-CG2 3.94Å; I378-I389 HydrophobicContact CD1-CG1 4.2Å; I378-I389 HydrophobicContact CG1-CD1 3.82Å; I378-I389 HydrophobicContact CG1-CG1 3.71Å; I389-A397 HydrophobicContact CG2-CB 3.78Å; I389-M398 WeakPolarHBondContact CA-O 3.38Å; I389-L399 HydrophobicContact CG1-CD1 4.21Å; I389-L415 HydrophobicContact CD1-CD2 4.35Å |
| 390 | R | 95.9 | Very high | 94 | Very high | 116 Ų | 116 | 48.9 Ų | 48.9 | 44% | 0.438 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 111.7 | 170.5 | -179 | 170.1 | 61.7 | 170.6 | 2.5 | 108.8 | D359 Y388 I392 A397 M398 V400 | D359-R390 IonicContact OD1-CZ 3.72Å; D359-R390 IonicContact OD1-NH2 2.81Å; D359-R390 PolarHBondContact OD1-NH2 2.87Å; D359-R390 IonicContact OD2-NH2 2.77Å; D359-R390 PolarHBondContact OD2-NH2 2.04Å; Y388-R390 HydrophobicContact CE2-CB 4.17Å; R390-I392 PolarHBondContact O-N 3.16Å; R390-A397 WeakPolarHBondContact O-CA 3.35Å; R390-M398 PolarHBondContact N-O 2.95Å; R390-M398 PolarHBondContact O-N 2.88Å; R390-V400 HydrophobicContact CB-CG2 3.92Å |
| 391 | Q | 92.7 | Very high | 94 | Very high | 94 Ų | 94 | 46.7 Ų | 46.7 | 44% | 0.439 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 128.3 | 177.4 | -171.9 | 145.6 | 6.5 | 0 | 0 | 110.3 | N374 N393 | N374-Q391 PolarHBondContact O-NE2 3.41Å; Q391-N393 WeakPolarHBondContact CG-O 3.41Å; Q391-N393 PolarHBondContact NE2-O 2.97Å; Q391-N393 VanDerWaalsContact NE2-O 3.07Å |
| 392 | I | 93.6 | Very high | 94 | Very high | 85 Ų | 85 | 46.8 Ų | 46.8 | 44% | 0.436 | 25% | 0.25 | S | S | . | . | trans | -93.7 | -52.5 | 179.2 | -62.7 | 167.9 | 0 | 0 | 0 | 109 | R390 S396 M398 | R390-I392 PolarHBondContact O-N 3.16Å; I392-S396 PolarHBondContact N-O 2.04Å; I392-S396 VanDerWaalsContact N-O 3.07Å; I392-M398 HydrophobicContact CD1-CB 4.06Å; I392-M398 HydrophobicContact CD1-CE 4.28Å; I392-M398 HydrophobicContact CG1-CB 4.44Å | ||
| 393 | N | 89.3 | Confident | 93.9 | Very high | 75 Ų | 75 | 51.5 Ų | 51.5 | 40% | 0.401 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -152.1 | -168.3 | 177.9 | 62.6 | 40.6 | 0 | 0 | 0 | 110.3 | Q391 V395 S396 | Q391-N393 WeakPolarHBondContact CG-O 3.41Å; Q391-N393 PolarHBondContact NE2-O 2.97Å; Q391-N393 VanDerWaalsContact NE2-O 3.07Å; N393-V395 PolarHBondContact O-N 2.96Å; N393-V395 WeakPolarHBondContact OD1-CA 3.35Å; N393-V395 WeakPolarHBondContact OD1-CG2 3.11Å; N393-V395 PolarHBondContact OD1-N 3.49Å; N393-S396 PolarHBondContact N-O 3.31Å; N393-S396 VanDerWaalsContact N-O 3.12Å; N393-S396 PolarHBondContact ND2-OG 2.94Å; N393-S396 VanDerWaalsContact O-O 3.13Å; N393-S396 PolarHBondContact OD1-N 2.84Å; N393-S396 PolarHBondContact OD1-OG 3.16Å; N393-S396 VanDerWaalsContact OD1-OG 3.12Å |
| 394 | N | 86.6 | Confident | 93.9 | Very high | 70 Ų | 70 | 50 Ų | 50 | 37% | 0.374 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -73.2 | -7 | -177.8 | -166.3 | 33.6 | 0 | 0 | 0 | 114.2 | A372 Y373 N374 | A372-N394 PolarHBondContact O-ND2 2.9Å; Y373-N394 WeakPolarHBondContact CA-OD1 3.47Å; Y373-N394 WeakPolarHBondContact CB-OD1 3.03Å; N374-N394 WeakPolarHBondContact CB-O 3.3Å; N374-N394 PolarHBondContact N-OD1 2.82Å; N374-N394 PolarHBondContact ND2-O 3.1Å |
| 395 | V | 89.1 | Confident | 93.9 | Very high | 35 Ų | 35 | 44.8 Ų | 44.8 | 21% | 0.212 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -125.3 | -8.3 | -178 | -61.7 | 0 | 0 | 0 | 0 | 112.9 | Q364 A365 V368 N393 | Q364-V395 CarbonylContact C-O 3.11Å; Q364-V395 WeakPolarHBondContact CA-O 3.06Å; A365-V395 HydrophobicContact CB-CB 4.37Å; A365-V395 PolarHBondContact N-O 3.47Å; V368-V395 HydrophobicContact CG1-CG1 4.17Å; V368-V395 HydrophobicContact CG2-CG1 3.7Å; N393-V395 PolarHBondContact O-N 2.96Å; N393-V395 WeakPolarHBondContact OD1-CA 3.35Å; N393-V395 WeakPolarHBondContact OD1-CG2 3.11Å; N393-V395 PolarHBondContact OD1-N 3.49Å |
| 396 | S | 93 | Very high | 93.8 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 3% | 0.028 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 151.3 | 179.1 | 67.9 | 0 | 0 | 0 | 0 | 114.2 | I363 I392 N393 | I363-S396 CarbonylContact O-C 3.57Å; I363-S396 WeakPolarHBondContact O-CA 3.48Å; I363-S396 VanDerWaalsContact O-CB 3.32Å; I363-S396 WeakPolarHBondContact O-CB 3.47Å; I392-S396 PolarHBondContact N-O 2.04Å; I392-S396 VanDerWaalsContact N-O 3.07Å; N393-S396 PolarHBondContact N-O 3.31Å; N393-S396 VanDerWaalsContact N-O 3.12Å; N393-S396 PolarHBondContact ND2-OG 2.94Å; N393-S396 VanDerWaalsContact O-O 3.13Å; N393-S396 PolarHBondContact OD1-N 2.84Å; N393-S396 PolarHBondContact OD1-OG 3.16Å; N393-S396 VanDerWaalsContact OD1-OG 3.12Å |
| 397 | A | 95.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 157.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | I363 F376 I389 R390 | I363-A397 PolarHBondContact N-O 3.07Å; I363-A397 PolarHBondContact O-N 3.4Å; F376-A397 HydrophobicContact CB-CB 3.7Å; F376-A397 HydrophobicContact CD1-CB 4.16Å; F376-A397 HydrophobicContact CD2-CB 3.64Å; F376-A397 HydrophobicContact CE2-CB 4.28Å; F376-A397 HydrophobicContact CG-CB 3.57Å; I389-A397 HydrophobicContact CG2-CB 3.78Å; R390-A397 WeakPolarHBondContact O-CA 3.35Å |
| 398 | M | 96.7 | Very high | 93.4 | Very high | 22 Ų | 22 | 53 Ų | 53 | 11% | 0.108 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 128.9 | 177.5 | -169.3 | 62.5 | 74.5 | 0 | 0 | 109.9 | D359 F361 Q362 I389 R390 I392 V400 | D359-M398 HydrophobicContact CB-CE 4.15Å; D359-M398 HydrophobicContact CB-CG 3.81Å; D359-M398 HydrophobicContact CB-SD 3.83Å; D359-M398 WeakPolarHBondContact OD1-CG 3.46Å; F361-M398 VanDerWaalsContact C-SD 3.53Å; Q362-M398 HydrophobicContact CB-CE 3.89Å; Q362-M398 HydrophobicContact CB-SD 4.01Å; Q362-M398 HydrophobicContact CG-CE 4.22Å; I389-M398 WeakPolarHBondContact CA-O 3.38Å; R390-M398 PolarHBondContact N-O 2.95Å; R390-M398 PolarHBondContact O-N 2.88Å; I392-M398 HydrophobicContact CD1-CB 4.06Å; I392-M398 HydrophobicContact CD1-CE 4.28Å; I392-M398 HydrophobicContact CG1-CB 4.44Å; M398-V400 HydrophobicContact CB-CG2 4.21Å; M398-V400 HydrophobicContact CG-CG2 3.93Å |
| 399 | L | 97 | Very high | 93.2 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 120.7 | 162.4 | -175.1 | 71.8 | 0 | 0 | 0 | 108.1 | V360 F361 I378 F387 I389 L413 L415 L434 | V360-L399 HydrophobicContact CG1-CD2 4.49Å; V360-L399 PolarHBondContact N-O 3.43Å; F361-L399 HydrophobicContact CB-CB 4.13Å; F361-L399 HydrophobicContact CB-CD2 4.29Å; F361-L399 PolarHBondContact N-O 3.38Å; F361-L399 WeakPolarHBondContact O-CB 3.07Å; F361-L399 PolarHBondContact O-N 3.33Å; I378-L399 HydrophobicContact CD1-CD1 3.94Å; I378-L399 HydrophobicContact CG1-CD1 4.45Å; F387-L399 HydrophobicContact CB-CD1 3.89Å; F387-L399 HydrophobicContact CD1-CD1 4.33Å; F387-L399 HydrophobicContact CD1-CD2 4.11Å; F387-L399 HydrophobicContact CD1-CG 4.08Å; F387-L399 HydrophobicContact CG-CD1 4.41Å; I389-L399 HydrophobicContact CG1-CD1 4.21Å; L399-L413 HydrophobicContact CD1-CD1 4.38Å; L399-L413 HydrophobicContact CD2-CD1 3.77Å; L399-L415 HydrophobicContact CD1-CD2 3.96Å; L399-L415 HydrophobicContact CD2-CD1 4.28Å; L399-L434 HydrophobicContact CD2-CD2 3.7Å |
| 400 | V | 96.9 | Very high | 93 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 132.2 | -176.6 | -170.9 | 0 | 0 | 0 | 0 | 109.3 | P357 A358 D359 F387 Y388 R390 M398 A402 | P357-V400 HydrophobicContact CB-CG1 3.91Å; A358-V400 CarbonylContact O-C 3.6Å; A358-V400 WeakPolarHBondContact O-CA 3.42Å; A358-V400 WeakPolarHBondContact O-CG1 3.38Å; D359-V400 WeakPolarHBondContact OD1-CG2 3.35Å; F387-V400 CarbonylContact C-O 3.59Å; F387-V400 VanDerWaalsContact CA-O 3.3Å; F387-V400 WeakPolarHBondContact CA-O 3.46Å; Y388-V400 HydrophobicContact CD1-CB 4.04Å; Y388-V400 HydrophobicContact CD1-CG1 4.42Å; Y388-V400 HydrophobicContact CD2-CB 4.45Å; Y388-V400 HydrophobicContact CE1-CB 3.59Å; Y388-V400 HydrophobicContact CE1-CG1 3.55Å; Y388-V400 HydrophobicContact CE2-CB 4.03Å; Y388-V400 HydrophobicContact CE2-CG1 4.44Å; Y388-V400 HydrophobicContact CE2-CG2 4.18Å; Y388-V400 HydrophobicContact CG-CB 4.46Å; Y388-V400 PolarHBondContact N-O 2.03Å; Y388-V400 PolarHBondContact O-N 2.74Å; Y388-V400 WeakPolarHBondContact OH-CG1 3.02Å; R390-V400 HydrophobicContact CB-CG2 3.92Å; M398-V400 HydrophobicContact CB-CG2 4.21Å; M398-V400 HydrophobicContact CG-CG2 3.93Å; V400-A402 PolarHBondContact O-N 3.49Å |
| 401 | L | 96.1 | Very high | 93 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 116.9 | 170.1 | -172.1 | 70.1 | 0 | 0 | 0 | 108.8 | R354 V356 P357 A358 V360 F387 R403 V405 | R354-L401 HydrophobicContact CB-CD2 4.4Å; V356-L401 HydrophobicContact CG1-CB 4.36Å; V356-L401 HydrophobicContact CG1-CD2 3.75Å; V356-L401 HydrophobicContact CG1-CG 3.84Å; P357-L401 VanDerWaalsContact CA-O 3.3Å; P357-L401 WeakPolarHBondContact CA-O 3.27Å; A358-L401 HydrophobicContact CB-CB 4.35Å; A358-L401 PolarHBondContact N-O 3.23Å; A358-L401 PolarHBondContact O-N 2.86Å; V360-L401 HydrophobicContact CG2-CB 3.66Å; F387-L401 HydrophobicContact CD1-CD1 3.97Å; F387-L401 HydrophobicContact CE1-CD1 3.5Å; F387-L401 HydrophobicContact CE2-CD1 4.43Å; F387-L401 HydrophobicContact CZ-CD1 3.76Å; L401-R403 WeakPolarHBondContact CD1-O 3.32Å; L401-R403 VanDerWaalsContact CG-O 3.23Å; L401-R403 WeakPolarHBondContact CG-O 3.31Å; L401-V405 HydrophobicContact CD1-CG1 3.9Å; L401-V405 HydrophobicContact CD1-CG2 4.26Å; L401-V405 HydrophobicContact CD2-CG2 4.2Å |
| 402 | A | 95.1 | Very high | 93.2 | Very high | 39 Ų | 39 | 49.7 Ų | 49.7 | 32% | 0.322 | 27% | 0.269 | S | S | . | . | trans | -88.5 | -27.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D386 Y388 V400 | D386-A402 PolarHBondContact O-N 2.85Å; Y388-A402 HydrophobicContact CD1-CB 3.64Å; Y388-A402 HydrophobicContact CE1-CB 3.9Å; V400-A402 PolarHBondContact O-N 3.49Å | ||
| 403 | R | 91.9 | Very high | 93.3 | Very high | 138 Ų | 138 | 45.6 Ų | 45.6 | 52% | 0.521 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -133.6 | 145 | -175.6 | -63.7 | -178.5 | -179 | 178.5 | 1 | 110.9 | Q384 L401 V405 | Q384-R403 PolarHBondContact O-NH1 2.81Å; L401-R403 WeakPolarHBondContact CD1-O 3.32Å; L401-R403 VanDerWaalsContact CG-O 3.23Å; L401-R403 WeakPolarHBondContact CG-O 3.31Å; R403-V405 PolarHBondContact O-N 3.11Å |
| 404 | P | 92 | Very high | 93.7 | Very high | 83 Ų | 83 | 42.9 Ų | 42.9 | 54% | 0.539 | 23% | 0.233 | S | C | . | . | trans | -58.8 | 135.6 | 174.2 | -18.4 | 32.1 | 0 | 0 | 0 | 109.3 | V356 | V356-P404 HydrophobicContact CG1-CG 4.47Å; V356-P404 HydrophobicContact CG2-CG 3.94Å | ||
| 405 | V | 92.1 | Very high | 94.2 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.018 | 22% | 0.216 | C | C | . | . | trans | -110.2 | 139.5 | 176.1 | -70.8 | 0 | 0 | 0 | 0 | 109.1 | I350 E353 D386 L401 R403 Y411 V438 | I350-V405 HydrophobicContact CD1-CG2 3.84Å; E353-V405 PolarHBondContact N-O 2.97Å; D386-V405 HydrophobicContact CB-CG1 4.3Å; L401-V405 HydrophobicContact CD1-CG1 3.9Å; L401-V405 HydrophobicContact CD1-CG2 4.26Å; L401-V405 HydrophobicContact CD2-CG2 4.2Å; R403-V405 PolarHBondContact O-N 3.11Å; V405-Y411 HydrophobicContact CB-CE2 4.46Å; V405-Y411 HydrophobicContact CG1-CE2 4.08Å; V405-Y411 WeakPolarHBondContact CG1-OH 3.45Å; V405-V438 HydrophobicContact CB-CG1 4.33Å; V405-V438 HydrophobicContact CB-CG2 4.42Å; V405-V438 HydrophobicContact CG2-CG1 3.78Å; V405-V438 HydrophobicContact CG2-CG2 3.97Å | ||
| 406 | T | 92.1 | Very high | 94.5 | Very high | 92 Ų | 92 | 39.1 Ų | 39.1 | 56% | 0.564 | 21% | 0.211 | S | C | * | . | trans | -107.7 | 124.7 | 176.5 | -48.6 | 0 | 0 | 0 | 0 | 108.9 | S352 | S352-T406 WeakPolarHBondContact OG-CA 3.41Š| ||
| 407 | G | 89.9 | Confident | 94.5 | Very high | 14 Ų | 14 | 40.3 Ų | 40.3 | 14% | 0.144 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -86.8 | 177.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S352 G439 | S352-G407 PolarHBondContact OG-N 3.42Å; G407-G439 WeakPolarHBondContact CA-O 3.44Å |
| 408 | P | 92.4 | Very high | 94.3 | Very high | 114 Ų | 114 | 40.7 Ų | 40.7 | 74% | 0.74 | 22% | 0.219 | S | C | * | . | S | Bend | cis | -74.4 | 124.3 | -4.8 | 29.9 | -32.5 | 0 | 0 | 0 | 110.9 | V438 A440 | P408-V438 WeakPolarHBondContact CA-O 3.42Å; P408-A440 HydrophobicContact CB-CB 4.38Å; P408-A440 HydrophobicContact CG-CB 4.46Å |
| 409 | R | 92 | Very high | 93.9 | Very high | 121 Ų | 121 | 40.3 Ų | 40.3 | 46% | 0.457 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 151.5 | -179 | -169.1 | 171.8 | -177 | -177.8 | 1.6 | 111.3 | Y411 V438 | R409-Y411 HydrophobicContact CG-CE2 4.11Å; R409-Y411 PolarHBondContact NH1-OH 2.93Å; R409-V438 HydrophobicContact CB-CB 4.4Å; R409-V438 PolarHBondContact N-O 3.07Å; R409-V438 WeakPolarHBondContact O-CB 3.48Å; R409-V438 PolarHBondContact O-N 3.44Å |
| 410 | E | 93.5 | Very high | 93.5 | Very high | 66 Ų | 66 | 43.4 Ų | 43.4 | 31% | 0.308 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 136.7 | 176.7 | -176.8 | -177.6 | 178 | 0 | 0 | 110.7 | R308 V412 T435 V436 F437 | R308-E410 IonicContact CZ-OE1 3.74Å; R308-E410 IonicContact CZ-OE2 3.84Å; R308-E410 IonicContact NH1-OE1 3.97Å; R308-E410 PolarHBondContact NH1-OE1 3.49Å; R308-E410 IonicContact NH1-OE2 3.83Å; R308-E410 PolarHBondContact NH1-OE2 3.02Å; R308-E410 IonicContact NH2-OE2 3.39Å; R308-E410 PolarHBondContact NH2-OE2 3.03Å; E410-V412 HydrophobicContact CG-CG2 4.42Å; E410-T435 HydrophobicContact CG-CG2 3.88Å; E410-T435 VanDerWaalsContact OE1-CG2 3.25Å; E410-T435 WeakPolarHBondContact OE1-CG2 3.42Å; E410-V436 WeakPolarHBondContact CA-O 3.49Å; E410-F437 HydrophobicContact CB-CD1 4.4Å; E410-F437 HydrophobicContact CG-CD1 4.12Å; E410-F437 HydrophobicContact CG-CE1 3.95Å |
| 411 | Y | 95.3 | Very high | 92.8 | Very high | 15 Ų | 15 | 44 Ų | 44 | 6% | 0.059 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 130 | 169.6 | -66.8 | -94 | 0 | 0 | 0 | 109.6 | D386 F387 V405 R409 T435 V436 V438 | D386-Y411 HydrophobicContact CB-CE1 4.38Å; D386-Y411 VanDerWaalsContact OD2-CE1 3.26Å; D386-Y411 WeakPolarHBondContact OD2-CE1 3.43Å; D386-Y411 PolarHBondContact OD2-OH 2.87Å; F387-Y411 AromaticContact CE2-CD1 3.73Å; F387-Y411 HydrophobicContact CE2-CD1 3.73Å; F387-Y411 HydrophobicContact CE2-CD2 4.18Å; F387-Y411 AromaticContact CE2-CE1 3.94Å; F387-Y411 HydrophobicContact CE2-CE1 3.94Å; F387-Y411 HydrophobicContact CE2-CE2 4.4Å; F387-Y411 AromaticContact CE2-CG 3.84Å; F387-Y411 HydrophobicContact CE2-CG 3.84Å; F387-Y411 HydrophobicContact CZ-CD2 4.36Å; F387-Y411 HydrophobicContact CZ-CG 4.35Å; V405-Y411 HydrophobicContact CB-CE2 4.46Å; V405-Y411 HydrophobicContact CG1-CE2 4.08Å; V405-Y411 WeakPolarHBondContact CG1-OH 3.45Å; R409-Y411 HydrophobicContact CG-CE2 4.11Å; R409-Y411 PolarHBondContact NH1-OH 2.93Å; Y411-T435 CarbonylContact O-C 3.16Å; Y411-T435 VanDerWaalsContact O-CA 3.31Å; Y411-T435 WeakPolarHBondContact O-CA 3.23Å; Y411-V436 PolarHBondContact N-O 2.81Å; Y411-V436 PolarHBondContact O-N 3.23Å; Y411-V438 HydrophobicContact CD2-CG2 3.88Å; Y411-V438 HydrophobicContact CE2-CG2 3.78Å |
| 412 | V | 96.3 | Very high | 91.9 | Very high | 66 Ų | 66 | 49.2 Ų | 49.2 | 40% | 0.4 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 100.8 | 170.6 | -177.2 | 0 | 0 | 0 | 0 | 107.6 | G381 E410 R433 T435 | G381-V412 WeakPolarHBondContact CA-O 3.19Å; E410-V412 HydrophobicContact CG-CG2 4.42Å; V412-R433 HydrophobicContact CG1-CG 3.86Å; V412-T435 HydrophobicContact CG2-CG2 4.36Å |
| 413 | L | 97.5 | Very high | 91 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 124.5 | -176.2 | -58.2 | 177.8 | 0 | 0 | 0 | 110.2 | G381 N382 F387 L399 L415 R433 L434 V436 | G381-L413 VanDerWaalsContact C-CD2 3.47Å; G381-L413 VanDerWaalsContact O-CD2 3.25Å; G381-L413 WeakPolarHBondContact O-CD2 3.18Å; N382-L413 HydrophobicContact CB-CD2 4.13Å; F387-L413 HydrophobicContact CD1-CD1 4.27Å; F387-L413 HydrophobicContact CD2-CD1 3.91Å; F387-L413 HydrophobicContact CD2-CD2 4.23Å; F387-L413 HydrophobicContact CE1-CD1 4.47Å; F387-L413 HydrophobicContact CE2-CD1 4.16Å; F387-L413 HydrophobicContact CG-CD1 3.98Å; F387-L413 HydrophobicContact CZ-CD1 4.42Å; L399-L413 HydrophobicContact CD1-CD1 4.38Å; L399-L413 HydrophobicContact CD2-CD1 3.77Å; L413-L415 HydrophobicContact CB-CD2 3.98Å; L413-L415 HydrophobicContact CB-CG 4.31Å; L413-L415 PolarHBondContact O-N 3.49Å; L413-R433 CarbonylContact O-C 3.49Å; L413-R433 WeakPolarHBondContact O-CA 3.17Å; L413-L434 PolarHBondContact N-O 3.4Å; L413-L434 PolarHBondContact O-N 3.3Å; L413-V436 HydrophobicContact CD1-CG2 4.39Å |
| 414 | D | 97 | Very high | 90 | Very high | 17 Ų | 17 | 54.9 Ų | 54.9 | 9% | 0.091 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 100.1 | 170.2 | -78.5 | -4.8 | 0 | 0 | 0 | 108.4 | R379 A380 V431 R433 | R379-D414 HydrophobicContact CB-CB 4.24Å; R379-D414 WeakPolarHBondContact CB-O 3.27Å; R379-D414 PolarHBondContact N-O 2.97Å; A380-D414 HydrophobicContact CB-CB 4.08Å; A380-D414 PolarHBondContact N-O 2.97Å; A380-D414 PolarHBondContact O-N 3.11Å; D414-V431 HydrophobicContact CB-CG1 3.87Å; D414-R433 WeakPolarHBondContact OD1-CG 2.99Å; D414-R433 IonicContact OD1-CZ 3.5Å; D414-R433 IonicContact OD1-NE 3.06Å; D414-R433 PolarHBondContact OD1-NE 2.02Å; D414-R433 IonicContact OD1-NH2 3.36Å; D414-R433 PolarHBondContact OD1-NH2 2.96Å; D414-R433 IonicContact OD2-CZ 3.74Å; D414-R433 IonicContact OD2-NE 2.69Å; D414-R433 IonicContact OD2-NH2 2.84Å; D414-R433 PolarHBondContact OD2-NH2 3.28Å |
| 415 | L | 96.7 | Very high | 89.3 | Confident | 4 Ų | 4 | 56.7 Ų | 56.7 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 111.4 | 179.5 | -49.7 | 177.3 | 0 | 0 | 0 | 108.4 | I363 I378 I389 L399 L413 V431 L432 L434 | I363-L415 HydrophobicContact CD1-CB 4.05Å; I363-L415 HydrophobicContact CD1-CD1 3.86Å; I363-L415 HydrophobicContact CD1-CG 4.46Å; I363-L415 HydrophobicContact CG1-CD1 4.28Å; I378-L415 HydrophobicContact CB-CD2 4.48Å; I378-L415 HydrophobicContact CG1-CD2 3.96Å; I378-L415 HydrophobicContact CG2-CD2 4.27Å; I389-L415 HydrophobicContact CD1-CD2 4.35Å; L399-L415 HydrophobicContact CD1-CD2 3.96Å; L399-L415 HydrophobicContact CD2-CD1 4.28Å; L413-L415 HydrophobicContact CB-CD2 3.98Å; L413-L415 HydrophobicContact CB-CG 4.31Å; L413-L415 PolarHBondContact O-N 3.49Å; L415-V431 CarbonylContact O-C 3.55Å; L415-V431 WeakPolarHBondContact O-CA 3.35Å; L415-L432 HydrophobicContact CB-CB 4.28Å; L415-L432 HydrophobicContact CD1-CD2 4.15Å; L415-L432 PolarHBondContact N-O 2.03Å; L415-L432 PolarHBondContact O-N 2.87Å; L415-L434 HydrophobicContact CD1-CB 4.07Å; L415-L434 HydrophobicContact CD1-CD2 3.92Å |
| 416 | E | 95.1 | Very high | 88.7 | Confident | 22 Ų | 22 | 62.1 Ų | 62.1 | 10% | 0.103 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 129.5 | -175.3 | -174.9 | 176.8 | -153.4 | 0 | 0 | 111.1 | F376 Q377 R379 V418 S429 V431 | F376-E416 WeakPolarHBondContact CA-O 3.25Å; Q377-E416 HydrophobicContact CG-CB 4.02Å; Q377-E416 PolarHBondContact N-O 2.99Å; Q377-E416 PolarHBondContact NE2-OE2 2.86Å; Q377-E416 PolarHBondContact O-N 3.15Å; R379-E416 HydrophobicContact CB-CB 4Å; E416-V418 HydrophobicContact CG-CG2 3.95Å; E416-S429 WeakPolarHBondContact CG-OG 3.48Å; E416-S429 WeakPolarHBondContact OE1-CB 3.41Å; E416-S429 PolarHBondContact OE1-OG 2.76Å; E416-V431 HydrophobicContact CB-CG2 4.14Å; E416-V431 HydrophobicContact CG-CG2 4.15Å |
| 417 | M | 93.2 | Very high | 88.3 | Confident | 30 Ų | 30 | 66.4 Ų | 66.4 | 15% | 0.148 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 118 | 166.3 | -175.9 | -174.4 | 71.3 | 0 | 0 | 108.8 | A365 N374 A375 F376 S429 S430 | A365-M417 HydrophobicContact CB-CE 4.48Å; A365-M417 HydrophobicContact CB-SD 3.59Å; A365-M417 VanDerWaalsContact CB-SD 3.59Å; N374-M417 HydrophobicContact CB-CG 4.2Å; N374-M417 HydrophobicContact CB-SD 4.42Å; A375-M417 CarbonylContact O-C 3.51Å; A375-M417 WeakPolarHBondContact O-CA 3.35Å; F376-M417 HydrophobicContact CD1-CB 4.07Å; F376-M417 HydrophobicContact CD1-CG 3.98Å; F376-M417 HydrophobicContact CE1-CB 4.03Å; F376-M417 HydrophobicContact CE1-CG 3.58Å; F376-M417 HydrophobicContact CE1-SD 3.74Å; F376-M417 HydrophobicContact CZ-CG 4.12Å; F376-M417 HydrophobicContact CZ-SD 4.09Å; M417-S429 WeakPolarHBondContact O-CA 3.34Å; M417-S430 PolarHBondContact N-O 3.41Å; M417-S430 PolarHBondContact O-N 2.85Å |
| 418 | V | 91.4 | Very high | 88.2 | Confident | 8 Ų | 8 | 66.5 Ų | 66.5 | 5% | 0.048 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 113.7 | 173.6 | -174.3 | 0 | 0 | 0 | 0 | 108.3 | N374 A375 E416 M420 R427 A428 | N374-V418 WeakPolarHBondContact CA-O 3.4Å; A375-V418 HydrophobicContact CB-CB 4.36Å; A375-V418 PolarHBondContact N-O 2.89Å; A375-V418 PolarHBondContact O-N 3.37Å; E416-V418 HydrophobicContact CG-CG2 3.95Å; V418-M420 HydrophobicContact CG1-CE 4.32Å; V418-M420 HydrophobicContact CG1-CG 4.13Å; V418-R427 HydrophobicContact CG1-CG 4.08Å; V418-A428 CarbonylContact C-O 3.59Å; V418-A428 WeakPolarHBondContact CA-O 3.37Å |
| 419 | T | 88.9 | Confident | 88.1 | Confident | 13 Ų | 13 | 62 Ų | 62 | 8% | 0.08 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 124.2 | 173.7 | -56.7 | 0 | 0 | 0 | 0 | 108.9 | A372 N374 R427 A428 | A372-T419 HydrophobicContact CB-CG2 4.03Å; N374-T419 WeakPolarHBondContact OD1-CB 3.48Å; N374-T419 WeakPolarHBondContact OD1-CG2 3.18Å; N374-T419 PolarHBondContact OD1-OG1 2.87Å; T419-R427 WeakPolarHBondContact O-CA 3.48Å; T419-A428 PolarHBondContact N-O 3.22Å; T419-A428 PolarHBondContact O-N 3.25Å |
| 420 | M | 87.2 | Confident | 88.1 | Confident | 66 Ų | 66 | 57.7 Ų | 57.7 | 33% | 0.325 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 134.4 | 176.4 | -68.3 | -174.6 | 153.2 | 0 | 0 | 110.2 | A372 Y373 V418 Y426 R427 | A372-M420 CarbonylContact C-O 3.58Å; A372-M420 VanDerWaalsContact CA-O 3.27Å; A372-M420 WeakPolarHBondContact CA-O 3.08Å; Y373-M420 HydrophobicContact CD1-CB 3.81Å; Y373-M420 HydrophobicContact CE1-CB 3.91Å; Y373-M420 HydrophobicContact CE1-CG 4.15Å; Y373-M420 HydrophobicContact CE1-SD 3.75Å; Y373-M420 PolarHBondContact N-O 2.74Å; Y373-M420 PolarHBondContact O-N 3.5Å; V418-M420 HydrophobicContact CG1-CE 4.32Å; V418-M420 HydrophobicContact CG1-CG 4.13Å; M420-Y426 CarbonylContact C-O 3.52Å; M420-Y426 WeakPolarHBondContact CA-O 3.1Å; M420-R427 HydrophobicContact CE-CG 4.08Å; M420-R427 HydrophobicContact CG-CG 4.28Å |
| 421 | N | 83.8 | Confident | 88.2 | Confident | 12 Ų | 12 | 54.8 Ų | 54.8 | 6% | 0.064 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 109.1 | 169.5 | -172.4 | -30 | 0 | 0 | 0 | 109 | A372 L423 M424 S425 Y426 | A372-N421 HydrophobicContact CB-CB 4.25Å; N421-L423 VanDerWaalsContact C-N 3.29Å; N421-L423 PolarHBondContact O-N 3.32Å; N421-L423 WeakPolarHBondContact OD1-CB 3.42Å; N421-L423 PolarHBondContact OD1-N 2.88Å; N421-M424 PolarHBondContact O-N 3.19Å; N421-M424 PolarHBondContact OD1-N 2.85Å; N421-S425 PolarHBondContact O-N 3.16Å; N421-S425 VanDerWaalsContact O-N 3.09Å; N421-Y426 PolarHBondContact N-O 3.26Å; N421-Y426 PolarHBondContact O-N 2.04Å; N421-Y426 VanDerWaalsContact O-N 3.16Å |
| 422 | S | 75.8 | Confident | 88.3 | Confident | 111 Ų | 111 | 55.2 Ų | 55.2 | 78% | 0.776 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -26.4 | -177.9 | 50 | 0 | 0 | 0 | 0 | 113.1 | ||
| 423 | L | 77.1 | Confident | 88.3 | Confident | 147 Ų | 147 | 55.5 Ų | 55.5 | 77% | 0.77 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -30.7 | 178.4 | -63.7 | 169.6 | 0 | 0 | 0 | 112.3 | N421 | N421-L423 VanDerWaalsContact C-N 3.29Å; N421-L423 PolarHBondContact O-N 3.32Å; N421-L423 WeakPolarHBondContact OD1-CB 3.42Å; N421-L423 PolarHBondContact OD1-N 2.88Å |
| 424 | M | 71.4 | Confident | 88.2 | Confident | 148 Ų | 148 | 55.5 Ų | 55.5 | 73% | 0.729 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.1 | 4 | -176 | -59.3 | -174.4 | 79.7 | 0 | 0 | 113.4 | N421 Y426 | N421-M424 PolarHBondContact O-N 3.19Å; N421-M424 PolarHBondContact OD1-N 2.85Å; M424-Y426 PolarHBondContact O-N 3.46Å; M424-Y426 VanDerWaalsContact O-N 3.1Å |
| 425 | S | 76.3 | Confident | 88.2 | Confident | 121 Ų | 121 | 55.1 Ų | 55.1 | 85% | 0.846 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.9 | 37.5 | -170.9 | -172.3 | 0 | 0 | 0 | 0 | 112.5 | N421 | N421-S425 PolarHBondContact O-N 3.16Å; N421-S425 VanDerWaalsContact O-N 3.09Å |
| 426 | Y | 79.3 | Confident | 88.1 | Confident | 118 Ų | 118 | 54.9 Ų | 54.9 | 46% | 0.463 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 126.6 | -175.6 | 177.9 | -97.1 | 0 | 0 | 0 | 109.6 | M420 N421 M424 A428 | M420-Y426 CarbonylContact C-O 3.52Å; M420-Y426 WeakPolarHBondContact CA-O 3.1Å; N421-Y426 PolarHBondContact N-O 3.26Å; N421-Y426 PolarHBondContact O-N 2.04Å; N421-Y426 VanDerWaalsContact O-N 3.16Å; M424-Y426 PolarHBondContact O-N 3.46Å; M424-Y426 VanDerWaalsContact O-N 3.1Å; Y426-A428 HydrophobicContact CE1-CB 3.57Å; Y426-A428 HydrophobicContact CE2-CB 4.43Å; Y426-A428 VanDerWaalsContact OH-CB 3.28Å; Y426-A428 WeakPolarHBondContact OH-CB 3.44Å |
| 427 | R | 84.8 | Confident | 88.1 | Confident | 182 Ų | 182 | 54.2 Ų | 54.2 | 69% | 0.687 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129 | 122.8 | 171.6 | -176.1 | -177.4 | -176.9 | -172.7 | -0.2 | 108.3 | V418 T419 M420 | V418-R427 HydrophobicContact CG1-CG 4.08Å; T419-R427 WeakPolarHBondContact O-CA 3.48Å; M420-R427 HydrophobicContact CE-CG 4.08Å; M420-R427 HydrophobicContact CG-CG 4.28Å |
| 428 | A | 86.6 | Confident | 88.2 | Confident | 15 Ų | 15 | 53 Ų | 53 | 12% | 0.124 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 144.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | V418 T419 Y426 | V418-A428 CarbonylContact C-O 3.59Å; V418-A428 WeakPolarHBondContact CA-O 3.37Å; T419-A428 PolarHBondContact N-O 3.22Å; T419-A428 PolarHBondContact O-N 3.25Å; Y426-A428 HydrophobicContact CE1-CB 3.57Å; Y426-A428 HydrophobicContact CE2-CB 4.43Å; Y426-A428 VanDerWaalsContact OH-CB 3.28Å; Y426-A428 WeakPolarHBondContact OH-CB 3.44Å |
| 429 | S | 91.4 | Very high | 88.3 | Confident | 21 Ų | 21 | 52.8 Ų | 52.8 | 15% | 0.147 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 138.2 | 174.5 | 167.9 | 0 | 0 | 0 | 0 | 109.5 | S341 E416 M417 | S341-S429 WeakPolarHBondContact CB-O 3.41Å; S341-S429 PolarHBondContact N-O 2.9Å; S341-S429 PolarHBondContact OG-O 2.99Å; E416-S429 WeakPolarHBondContact CG-OG 3.48Å; E416-S429 WeakPolarHBondContact OE1-CB 3.41Å; E416-S429 PolarHBondContact OE1-OG 2.76Å; M417-S429 WeakPolarHBondContact O-CA 3.34Å |
| 430 | S | 92.9 | Very high | 88.5 | Confident | 30 Ų | 30 | 53.9 Ų | 53.9 | 21% | 0.21 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 138.6 | 168.9 | -64.9 | 0 | 0 | 0 | 0 | 109.1 | S341 S342 M417 | S341-S430 PolarHBondContact OG-OG 3.13Å; S342-S430 WeakPolarHBondContact OG-CB 2.94Å; S342-S430 PolarHBondContact OG-OG 3.4Å; M417-S430 PolarHBondContact N-O 3.41Å; M417-S430 PolarHBondContact O-N 2.85Å |
| 431 | V | 95.4 | Very high | 88.8 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.024 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 130.8 | -178.5 | 170.4 | 0 | 0 | 0 | 0 | 110 | P340 S342 I343 V344 D414 L415 E416 | P340-V431 HydrophobicContact CB-CB 4.34Å; P340-V431 HydrophobicContact CB-CG2 3.76Å; P340-V431 HydrophobicContact CG-CB 4.46Å; P340-V431 HydrophobicContact CG-CG2 3.53Å; S342-V431 PolarHBondContact O-N 2.99Å; I343-V431 CarbonylContact C-O 3.52Å; I343-V431 VanDerWaalsContact CA-O 3.26Å; I343-V431 WeakPolarHBondContact CA-O 3.38Å; I343-V431 HydrophobicContact CG1-CB 4.35Å; V344-V431 PolarHBondContact N-O 3.32Å; D414-V431 HydrophobicContact CB-CG1 3.87Å; L415-V431 CarbonylContact O-C 3.55Å; L415-V431 WeakPolarHBondContact O-CA 3.35Å; E416-V431 HydrophobicContact CB-CG2 4.14Å; E416-V431 HydrophobicContact CG-CG2 4.15Å |
| 432 | L | 95.6 | Very high | 89 | Confident | 25 Ų | 25 | 57.1 Ų | 57.1 | 13% | 0.131 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 109 | 163.4 | 170.4 | 64.7 | 0 | 0 | 0 | 107.7 | V344 R346 F361 L415 L434 | V344-L432 HydrophobicContact CB-CD1 4.26Å; V344-L432 HydrophobicContact CG1-CD1 4.21Å; V344-L432 CarbonylContact O-C 3.53Å; V344-L432 WeakPolarHBondContact O-CA 3.29Å; R346-L432 HydrophobicContact CB-CD1 3.88Å; R346-L432 HydrophobicContact CG-CD1 3.5Å; F361-L432 HydrophobicContact CD1-CD2 4.22Å; F361-L432 HydrophobicContact CE1-CD2 3.42Å; F361-L432 VanDerWaalsContact CE1-CD2 3.42Å; F361-L432 HydrophobicContact CZ-CD2 3.99Å; L415-L432 HydrophobicContact CB-CB 4.28Å; L415-L432 HydrophobicContact CD1-CD2 4.15Å; L415-L432 PolarHBondContact N-O 2.03Å; L415-L432 PolarHBondContact O-N 2.87Å; L432-L434 PolarHBondContact O-N 3.06Å |
| 433 | R | 96.2 | Very high | 89.5 | Confident | 71 Ų | 71 | 54.3 Ų | 54.3 | 27% | 0.268 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 97.4 | 170.8 | -178.3 | 161.6 | -69.4 | 161.1 | -1.4 | 108.7 | I343 V344 H345 R346 V412 L413 D414 | I343-R433 HydrophobicContact CG2-CB 4.12Å; V344-R433 PolarHBondContact O-N 2.69Å; H345-R433 WeakPolarHBondContact CA-O 3.25Å; R346-R433 PolarHBondContact N-O 2.98Å; V412-R433 HydrophobicContact CG1-CG 3.86Å; L413-R433 CarbonylContact O-C 3.49Å; L413-R433 WeakPolarHBondContact O-CA 3.17Å; D414-R433 WeakPolarHBondContact OD1-CG 2.99Å; D414-R433 IonicContact OD1-CZ 3.5Å; D414-R433 IonicContact OD1-NE 3.06Å; D414-R433 PolarHBondContact OD1-NE 2.02Å; D414-R433 IonicContact OD1-NH2 3.36Å; D414-R433 PolarHBondContact OD1-NH2 2.96Å; D414-R433 IonicContact OD2-CZ 3.74Å; D414-R433 IonicContact OD2-NE 2.69Å; D414-R433 IonicContact OD2-NH2 2.84Å; D414-R433 PolarHBondContact OD2-NH2 3.28Å |
| 434 | L | 96.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 115.4 | -179.9 | -176.9 | 66.8 | 0 | 0 | 0 | 109.6 | R346 M348 F361 L399 L413 L415 L432 V436 | R346-L434 HydrophobicContact CB-CD1 3.84Å; R346-L434 WeakPolarHBondContact O-CA 3.25Å; M348-L434 HydrophobicContact CG-CD1 3.94Å; M348-L434 HydrophobicContact CG-CG 4.39Å; M348-L434 HydrophobicContact SD-CD1 4Å; M348-L434 HydrophobicContact SD-CD2 3.84Å; M348-L434 HydrophobicContact SD-CG 4.25Å; F361-L434 HydrophobicContact CB-CD2 4.04Å; F361-L434 HydrophobicContact CD1-CD2 4.28Å; F361-L434 HydrophobicContact CD2-CD1 4.22Å; F361-L434 HydrophobicContact CD2-CD2 4.37Å; F361-L434 HydrophobicContact CE2-CD1 4.26Å; F361-L434 HydrophobicContact CG-CD2 3.97Å; L399-L434 HydrophobicContact CD2-CD2 3.7Å; L413-L434 PolarHBondContact N-O 3.4Å; L413-L434 PolarHBondContact O-N 3.3Å; L415-L434 HydrophobicContact CD1-CB 4.07Å; L415-L434 HydrophobicContact CD1-CD2 3.92Å; L432-L434 PolarHBondContact O-N 3.06Å; L434-V436 HydrophobicContact CD2-CG2 3.88Å; L434-V436 HydrophobicContact CG-CG2 3.82Å |
| 435 | T | 96 | Very high | 91.1 | Very high | 9 Ų | 9 | 44.5 Ų | 44.5 | 6% | 0.055 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 116 | 170.4 | -52.2 | 0 | 0 | 0 | 0 | 108.5 | R346 Y347 M348 E410 Y411 V412 F437 | R346-T435 PolarHBondContact O-N 3.11Å; Y347-T435 CarbonylContact C-O 3.58Å; Y347-T435 WeakPolarHBondContact CA-O 3.48Å; Y347-T435 HydrophobicContact CD1-CG2 4.07Å; Y347-T435 HydrophobicContact CE1-CG2 4.35Å; M348-T435 PolarHBondContact N-O 2.75Å; E410-T435 HydrophobicContact CG-CG2 3.88Å; E410-T435 VanDerWaalsContact OE1-CG2 3.25Å; E410-T435 WeakPolarHBondContact OE1-CG2 3.42Å; Y411-T435 CarbonylContact O-C 3.16Å; Y411-T435 VanDerWaalsContact O-CA 3.31Å; Y411-T435 WeakPolarHBondContact O-CA 3.23Å; V412-T435 HydrophobicContact CG2-CG2 4.36Å; T435-F437 HydrophobicContact CG2-CD2 4.5Å; T435-F437 HydrophobicContact CG2-CE1 4.03Å; T435-F437 HydrophobicContact CG2-CE2 3.86Å; T435-F437 HydrophobicContact CG2-CZ 3.58Å |
| 436 | V | 95.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 115 | 179.1 | -173.5 | 0 | 0 | 0 | 0 | 108.2 | M348 I350 E410 Y411 L413 L434 | M348-V436 HydrophobicContact CG-CB 4.25Å; M348-V436 HydrophobicContact CG-CG1 4.14Å; M348-V436 HydrophobicContact CG-CG2 3.84Å; M348-V436 WeakPolarHBondContact O-CA 3.01Å; M348-V436 HydrophobicContact SD-CG2 4.04Å; I350-V436 HydrophobicContact CD1-CG1 3.79Å; I350-V436 HydrophobicContact CG1-CG1 3.79Å; I350-V436 HydrophobicContact CG2-CG1 4.23Å; E410-V436 WeakPolarHBondContact CA-O 3.49Å; Y411-V436 PolarHBondContact N-O 2.81Å; Y411-V436 PolarHBondContact O-N 3.23Å; L413-V436 HydrophobicContact CD1-CG2 4.39Å; L434-V436 HydrophobicContact CD2-CG2 3.88Å; L434-V436 HydrophobicContact CG-CG2 3.82Å |
| 437 | F | 95.6 | Very high | 92.7 | Very high | 8 Ų | 8 | 35.7 Ų | 35.7 | 4% | 0.035 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 124.7 | 170.2 | -59.9 | -75 | 0 | 0 | 0 | 109 | V301 F303 R308 Y347 M348 T349 I350 E410 T435 | V301-F437 HydrophobicContact CG1-CE2 4.21Å; F303-F437 HydrophobicContact CB-CB 3.71Å; F303-F437 HydrophobicContact CB-CD2 3.87Å; F303-F437 HydrophobicContact CB-CG 3.92Å; F303-F437 HydrophobicContact CD1-CB 4.38Å; F303-F437 HydrophobicContact CD1-CD1 4.07Å; F303-F437 AromaticContact CD1-CD2 3.92Å; F303-F437 HydrophobicContact CD1-CD2 3.92Å; F303-F437 HydrophobicContact CD1-CE1 4.36Å; F303-F437 HydrophobicContact CD1-CE2 4.19Å; F303-F437 AromaticContact CD1-CG 3.85Å; F303-F437 HydrophobicContact CD1-CG 3.85Å; F303-F437 HydrophobicContact CD1-CZ 4.42Å; F303-F437 HydrophobicContact CD2-CB 4.09Å; F303-F437 HydrophobicContact CD2-CG 4.39Å; F303-F437 HydrophobicContact CE1-CD1 4.26Å; F303-F437 HydrophobicContact CE1-CE1 4.38Å; F303-F437 HydrophobicContact CE1-CG 4.48Å; F303-F437 HydrophobicContact CG-CB 3.81Å; F303-F437 HydrophobicContact CG-CD1 4.31Å; F303-F437 HydrophobicContact CG-CD2 4.06Å; F303-F437 AromaticContact CG-CG 3.8Å; F303-F437 HydrophobicContact CG-CG 3.8Å; R308-F437 HydrophobicContact CB-CZ 4.39Å; Y347-F437 AromaticContact CD1-CE2 3.88Å; Y347-F437 HydrophobicContact CD1-CE2 3.88Å; Y347-F437 HydrophobicContact CD1-CZ 4.3Å; M348-F437 PolarHBondContact O-N 2.96Å; T349-F437 CarbonylContact C-O 3.59Å; T349-F437 VanDerWaalsContact CA-O 3.28Å; T349-F437 WeakPolarHBondContact CA-O 3.01Å; I350-F437 PolarHBondContact N-O 3.22Å; E410-F437 HydrophobicContact CB-CD1 4.4Å; E410-F437 HydrophobicContact CG-CD1 4.12Å; E410-F437 HydrophobicContact CG-CE1 3.95Å; T435-F437 HydrophobicContact CG2-CD2 4.5Å; T435-F437 HydrophobicContact CG2-CE1 4.03Å; T435-F437 HydrophobicContact CG2-CE2 3.86Å; T435-F437 HydrophobicContact CG2-CZ 3.58Å |
| 438 | V | 94.4 | Very high | 93.2 | Very high | 5 Ų | 5 | 26.6 Ų | 26.6 | 3% | 0.03 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 112.5 | 173.2 | -171.1 | 0 | 0 | 0 | 0 | 107.4 | I350 V405 P408 R409 Y411 | I350-V438 HydrophobicContact CD1-CG2 4Å; I350-V438 HydrophobicContact CG1-CB 4.36Å; I350-V438 HydrophobicContact CG1-CG1 4.34Å; I350-V438 HydrophobicContact CG1-CG2 3.88Å; I350-V438 CarbonylContact O-C 3.58Å; I350-V438 WeakPolarHBondContact O-CA 3.33Å; V405-V438 HydrophobicContact CB-CG1 4.33Å; V405-V438 HydrophobicContact CB-CG2 4.42Å; V405-V438 HydrophobicContact CG2-CG1 3.78Å; V405-V438 HydrophobicContact CG2-CG2 3.97Å; P408-V438 WeakPolarHBondContact CA-O 3.42Å; R409-V438 HydrophobicContact CB-CB 4.4Å; R409-V438 PolarHBondContact N-O 3.07Å; R409-V438 WeakPolarHBondContact O-CB 3.48Å; R409-V438 PolarHBondContact O-N 3.44Å; Y411-V438 HydrophobicContact CD2-CG2 3.88Å; Y411-V438 HydrophobicContact CE2-CG2 3.78Å |
| 439 | G | 93 | Very high | 93.6 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | trans | -61.4 | 152.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I350 S352 G407 Y441 | I350-G439 PolarHBondContact O-N 3.01Å; S352-G439 WeakPolarHBondContact CB-O 3.37Å; G407-G439 WeakPolarHBondContact CA-O 3.44Å; G439-Y441 PolarHBondContact O-N 3.04Å | ||
| 440 | A | 93 | Very high | 93.7 | Very high | 37 Ų | 37 | 27.8 Ų | 27.8 | 31% | 0.306 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -68.6 | -23.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | P408 | P408-A440 HydrophobicContact CB-CB 4.38Å; P408-A440 HydrophobicContact CG-CB 4.46Å |
| 441 | Y | 93.1 | Very high | 93.8 | Very high | 64 Ų | 64 | 27.6 Ų | 27.6 | 25% | 0.251 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -113.9 | 164.5 | -173.8 | -52.2 | -73.5 | 0 | 0 | 0 | 111.5 | Y256 P270 Y273 S352 G439 F443 | Y256-Y441 HydrophobicContact CD2-CD1 4.14Å; Y256-Y441 HydrophobicContact CD2-CE1 4.05Å; Y256-Y441 AromaticContact CE2-CD1 3.86Å; Y256-Y441 HydrophobicContact CE2-CD1 3.86Å; Y256-Y441 AromaticContact CE2-CE1 3.36Å; Y256-Y441 HydrophobicContact CE2-CE1 3.36Å; Y256-Y441 AromaticContact CZ-CE1 3.9Å; P270-Y441 HydrophobicContact CB-CD2 4.18Å; P270-Y441 HydrophobicContact CB-CE1 4.14Å; P270-Y441 HydrophobicContact CB-CE2 3.31Å; P270-Y441 WeakPolarHBondContact CB-OH 3.42Å; P270-Y441 HydrophobicContact CG-CD1 4.48Å; P270-Y441 HydrophobicContact CG-CD2 3.63Å; P270-Y441 HydrophobicContact CG-CE1 4.21Å; P270-Y441 HydrophobicContact CG-CE2 3.29Å; P270-Y441 HydrophobicContact CG-CG 4.23Å; Y273-Y441 AromaticContact CE2-CD2 3.84Å; Y273-Y441 HydrophobicContact CE2-CD2 3.84Å; Y273-Y441 HydrophobicContact CE2-CE2 4.25Å; S352-Y441 WeakPolarHBondContact CB-O 3.45Å; S352-Y441 PolarHBondContact N-O 3.43Å; G439-Y441 PolarHBondContact O-N 3.04Å; Y441-F443 VanDerWaalsContact C-N 3.29Å; Y441-F443 HydrophobicContact CD1-CE1 4.45Å; Y441-F443 HydrophobicContact CD1-CZ 4.36Å; Y441-F443 HydrophobicContact CD2-CZ 4.45Å; Y441-F443 HydrophobicContact CG-CE1 4.21Å; Y441-F443 HydrophobicContact CG-CE2 4.47Å; Y441-F443 AromaticContact CG-CZ 3.91Å; Y441-F443 HydrophobicContact CG-CZ 3.91Å |
| 442 | T | 89.4 | Confident | 93.7 | Very high | 81 Ų | 81 | 29.6 Ų | 29.6 | 50% | 0.497 | 15% | 0.152 | S | C | . | . | trans | -83.2 | -6.3 | -176.2 | 57.8 | 0 | 0 | 0 | 0 | 113.5 | T351 S352 E353 | T351-T442 WeakPolarHBondContact CB-O 3.49Å; T351-T442 PolarHBondContact OG1-O 3.3Å; S352-T442 WeakPolarHBondContact O-CG2 3.22Å; E353-T442 HydrophobicContact CB-CG2 3.98Å; E353-T442 HydrophobicContact CG-CG2 4.3Å | ||
| 443 | F | 85.3 | Confident | 93.5 | Very high | 53 Ų | 53 | 30 Ų | 30 | 23% | 0.232 | 15% | 0.154 | C | C | . | . | trans | -117.7 | 0 | -173 | 55.1 | -101.5 | 0 | 0 | 0 | 114.4 | Q255 Y256 P270 Y273 C281 Y441 | Q255-F443 HydrophobicContact CG-CB 4.49Å; Q255-F443 HydrophobicContact CG-CD1 3.81Å; Q255-F443 HydrophobicContact CG-CE1 4.13Å; Q255-F443 HydrophobicContact CG-CG 4.04Å; Y256-F443 HydrophobicContact CD2-CE1 4.37Å; Y256-F443 HydrophobicContact CD2-CZ 4.31Å; Y256-F443 HydrophobicContact CG-CZ 4.4Å; P270-F443 HydrophobicContact CG-CE2 4.41Å; P270-F443 HydrophobicContact CG-CZ 4.11Å; Y273-F443 HydrophobicContact CD1-CD2 4.29Å; Y273-F443 AromaticContact CD1-CE2 3.88Å; Y273-F443 HydrophobicContact CD1-CE2 3.88Å; Y273-F443 AromaticContact CE1-CD2 3.94Å; Y273-F443 HydrophobicContact CE1-CD2 3.94Å; Y273-F443 AromaticContact CE1-CE2 3.79Å; Y273-F443 HydrophobicContact CE1-CE2 3.79Å; Y273-F443 HydrophobicContact CG-CE2 4.47Å; C281-F443 HydrophobicContact CB-CD2 3.99Å; C281-F443 HydrophobicContact CB-CE2 3.43Å; C281-F443 VanDerWaalsContact CB-CE2 3.43Å; C281-F443 HydrophobicContact CB-CZ 4.1Å; Y441-F443 VanDerWaalsContact C-N 3.29Å; Y441-F443 HydrophobicContact CD1-CE1 4.45Å; Y441-F443 HydrophobicContact CD1-CZ 4.36Å; Y441-F443 HydrophobicContact CD2-CZ 4.45Å; Y441-F443 HydrophobicContact CG-CE1 4.21Å; Y441-F443 HydrophobicContact CG-CE2 4.47Å; Y441-F443 AromaticContact CG-CZ 3.91Å; Y441-F443 HydrophobicContact CG-CZ 3.91Å |
Retrieved 443 of 443 residues in 130.2 ms
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