| 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 | 40.4 | Very low | 42.4 | Very low | 231 Ų | 231 | 150.2 Ų | 150.2 | 100% | 1.138 | 82% | 0.816 | S | S | * | * | 0 | 94.2 | 0 | -70.6 | -102.7 | -107.3 | 0 | 0 | 109.5 | |||||
| 2 | R | 37.8 | Very low | 42.3 | Very low | 255 Ų | 255 | 149.8 Ų | 149.8 | 96% | 0.962 | 81% | 0.812 | S | S | * | * | trans | -152.2 | 113.7 | 149 | -101.2 | -169.5 | 176.8 | -176.7 | -1 | 106.7 | ||||
| 3 | L | 38.3 | Very low | 41.8 | Very low | 162 Ų | 162 | 146.7 Ų | 146.7 | 85% | 0.848 | 81% | 0.808 | S | S | * | * | trans | -83.3 | 159.6 | -179.7 | -89.5 | 85.3 | 0 | 0 | 0 | 111.6 | ||||
| 4 | G | 38.3 | Very low | 41.6 | Very low | 71 Ų | 71 | 143.5 Ų | 143.5 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | trans | 148.9 | 77.5 | 155.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 5 | L | 42.7 | Very low | 41.6 | Very low | 144 Ų | 144 | 145.1 Ų | 145.1 | 75% | 0.754 | 80% | 0.803 | S | S | * | * | 75.7 | 110.2 | 91 | -80.9 | 164.1 | 0 | 0 | 0 | 115.5 | |||||
| 6 | L | 41 | Very low | 41.4 | Very low | 151 Ų | 151 | 144.3 Ų | 144.3 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | trans | 64.3 | 142.9 | 140.5 | -55.3 | 167 | 0 | 0 | 0 | 117.2 | ||||
| 7 | V | 44.1 | Very low | 41 | Very low | 120 Ų | 120 | 145.2 Ų | 145.2 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | cis | -160.3 | 137.4 | 46.5 | 172.7 | 0 | 0 | 0 | 0 | 108.1 | V9 | V7-V9 HydrophobicContact CG1-CG2 3.93Š| ||
| 8 | A | 45.9 | Very low | 40.7 | Very low | 96 Ų | 96 | 144.2 Ų | 144.2 | 79% | 0.793 | 80% | 0.798 | S | S | * | * | trans | -79.3 | 131.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 9 | V | 48.8 | Very low | 40.4 | Very low | 107 Ų | 107 | 141.1 Ų | 141.1 | 65% | 0.648 | 80% | 0.802 | S | S | * | * | trans | -134.2 | 110.1 | 162.5 | -176.7 | 0 | 0 | 0 | 0 | 108.7 | V7 F11 | V7-V9 HydrophobicContact CG1-CG2 3.93Å; V9-F11 HydrophobicContact CG1-CD2 3.36Å; V9-F11 HydrophobicContact CG1-CE2 3.46Å; V9-F11 VanDerWaalsContact CG1-CE2 3.46Å | ||
| 10 | V | 47.2 | Very low | 40.1 | Very low | 121 Ų | 121 | 139.7 Ų | 139.7 | 73% | 0.733 | 80% | 0.801 | S | S | * | * | trans | -87 | 125.3 | 165.5 | 172.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 11 | F | 41.8 | Very low | 40.2 | Very low | 194 Ų | 194 | 137.6 Ų | 137.6 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | -133.1 | 123.2 | 157.3 | -85.6 | -73.3 | 0 | 0 | 0 | 109.8 | V9 | V9-F11 HydrophobicContact CG1-CD2 3.36Å; V9-F11 HydrophobicContact CG1-CE2 3.46Å; V9-F11 VanDerWaalsContact CG1-CE2 3.46Å | ||
| 12 | L | 41.8 | Very low | 39.9 | Very low | 146 Ų | 146 | 136.5 Ų | 136.5 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | trans | -85.3 | 157.6 | 176.2 | -75.7 | 159.4 | 0 | 0 | 0 | 110.9 | ||||
| 13 | S | 35.4 | Very low | 40.1 | Very low | 109 Ų | 109 | 130.7 Ų | 130.7 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | trans | 68.7 | 146.7 | 149.5 | 34.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 14 | S | 38.4 | Very low | 40.2 | Very low | 102 Ų | 102 | 129.1 Ų | 129.1 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | cis | -176.6 | 168.8 | -8.1 | -78.4 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 15 | M | 42.1 | Very low | 40.2 | Very low | 168 Ų | 168 | 134.9 Ų | 134.9 | 83% | 0.828 | 78% | 0.779 | S | S | * | * | trans | 85.8 | 140.7 | 159.6 | -48.5 | -179.1 | 77.1 | 0 | 0 | 118 | ||||
| 16 | D | 37.8 | Very low | 40 | Very low | 132 Ų | 132 | 131.9 Ų | 131.9 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | cis | 178.3 | 135 | -24.6 | -102.9 | -48.2 | 0 | 0 | 0 | 105.2 | ||||
| 17 | L | 35.5 | Very low | 40.4 | Very low | 159 Ų | 159 | 134 Ų | 134 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | -159.4 | 96.2 | 150.5 | -139.1 | 73.4 | 0 | 0 | 0 | 113.2 | ||||
| 18 | T | 35.5 | Very low | 40.3 | Very low | 128 Ų | 128 | 139.8 Ų | 139.8 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | 52.2 | 122.6 | 136.9 | 66.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 19 | G | 34.1 | Very low | 40.6 | Very low | 85 Ų | 85 | 143.5 Ų | 143.5 | 88% | 0.876 | 80% | 0.795 | S | S | * | * | trans | 159.2 | 102.8 | 150.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 20 | S | 35.6 | Very low | 40.6 | Very low | 112 Ų | 112 | 149.3 Ų | 149.3 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | trans | -83.2 | 138.6 | -171.2 | -168.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 21 | S | 41.4 | Very low | 40.4 | Very low | 97 Ų | 97 | 155.1 Ų | 155.1 | 68% | 0.678 | 81% | 0.814 | S | S | * | * | trans | 47 | 118.6 | 143 | -54.7 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 22 | K | 34.1 | Very low | 41 | Very low | 207 Ų | 207 | 152.9 Ų | 152.9 | 90% | 0.9 | 81% | 0.81 | S | S | * | * | 168.2 | 136.6 | 109.5 | -87.5 | 171.7 | -172.1 | 175.7 | 0 | 113.7 | |||||
| 23 | V | 42.8 | Very low | 41.2 | Very low | 134 Ų | 134 | 150 Ų | 150 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | trans | -21.8 | 142.1 | 165.8 | 179.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 24 | V | 39.3 | Very low | 41.9 | Very low | 128 Ų | 128 | 151.6 Ų | 151.6 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | -177.6 | 117.4 | 127.1 | 160.6 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 25 | K | 38.8 | Very low | 42.4 | Very low | 192 Ų | 192 | 153.8 Ų | 153.8 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | 34.4 | 97.1 | 147.7 | -67.2 | 172.3 | 173.5 | 170.4 | 0 | 119.8 | K27 | K25-K27 PolarHBondContact O-N 3.14Š| ||
| 26 | G | 39.4 | Very low | 42.7 | Very low | 81 Ų | 81 | 153.5 Ų | 153.5 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | trans | -66.8 | 109.7 | 152.8 | 0 | 0 | 0 | 0 | 0 | 111 | R28 | G26-R28 PolarHBondContact O-N 3.27Š| ||
| 27 | K | 48.1 | Very low | 43.4 | Very low | 195 Ų | 195 | 152.2 Ų | 152.2 | 85% | 0.848 | 81% | 0.808 | S | S | * | * | trans | -66.5 | 94 | 166.8 | -81.8 | 177.8 | 176.1 | 174.8 | 0 | 108.5 | K25 Q29 | K25-K27 PolarHBondContact O-N 3.14Å; K27-Q29 VanDerWaalsContact C-N 3.29Å; K27-Q29 PolarHBondContact O-N 3.44Å | ||
| 28 | R | 43.4 | Very low | 44.8 | Very low | 242 Ų | 242 | 154 Ų | 154 | 91% | 0.913 | 81% | 0.812 | S | S | * | * | trans | -73 | 94.6 | 160.2 | -147.2 | 177 | -167.3 | -174.2 | 3.6 | 106.2 | G26 R30 | G26-R28 PolarHBondContact O-N 3.27Å; R28-R30 PolarHBondContact O-N 3.12Å | ||
| 29 | Q | 52 | Low | 46.7 | Very low | 174 Ų | 174 | 150.6 Ų | 150.6 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | trans | -56.8 | 100.3 | 175 | -160 | 147.7 | -41.2 | 0 | 0 | 107.1 | K27 R31 | K27-Q29 VanDerWaalsContact C-N 3.29Å; K27-Q29 PolarHBondContact O-N 3.44Å; Q29-R31 PolarHBondContact O-N 3.18Å | ||
| 30 | R | 48 | Very low | 49 | Very low | 229 Ų | 229 | 148.8 Ų | 148.8 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | -55.4 | 116.1 | 166.2 | -82.9 | -177.2 | 176.6 | 175.1 | -1.6 | 104.7 | R28 I32 | R28-R30 PolarHBondContact O-N 3.12Å; R30-I32 VanDerWaalsContact C-N 3.3Å; R30-I32 PolarHBondContact O-N 3.18Å | ||
| 31 | R | 43.4 | Very low | 51.4 | Low | 243 Ų | 243 | 147.1 Ų | 147.1 | 92% | 0.917 | 77% | 0.769 | S | S | * | * | trans | -52.8 | 108.5 | 159.6 | -72.8 | -177 | -173.3 | 171.8 | 1.4 | 104.8 | Q29 S33 | Q29-R31 PolarHBondContact O-N 3.18Å; R31-S33 PolarHBondContact O-N 2.93Å | ||
| 32 | I | 54.4 | Low | 53.6 | Low | 148 Ų | 148 | 154.6 Ų | 154.6 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | trans | -64.5 | 96.9 | 163 | -67.1 | 168.3 | 0 | 0 | 0 | 102.3 | R30 T34 | R30-I32 VanDerWaalsContact C-N 3.3Å; R30-I32 PolarHBondContact O-N 3.18Å; I32-T34 VanDerWaalsContact C-N 3.28Å; I32-T34 PolarHBondContact O-N 3.01Å | ||
| 33 | S | 45.7 | Very low | 56.3 | Low | 86 Ų | 86 | 146 Ų | 146 | 60% | 0.601 | 75% | 0.752 | S | S | * | * | trans | -64.7 | 104.2 | 162.2 | -148.8 | 0 | 0 | 0 | 0 | 104.1 | R31 E35 | R31-S33 PolarHBondContact O-N 2.93Å; S33-E35 PolarHBondContact O-N 3.33Å | ||
| 34 | T | 51 | Low | 58.7 | Low | 142 Ų | 142 | 140.2 Ų | 140.2 | 87% | 0.871 | 72% | 0.718 | S | S | * | * | trans | -71.4 | 60.9 | 161.7 | -43.1 | 0 | 0 | 0 | 0 | 107.1 | I32 | I32-T34 VanDerWaalsContact C-N 3.28Å; I32-T34 PolarHBondContact O-N 3.01Å | ||
| 35 | E | 47.3 | Very low | 61.2 | Low | 148 Ų | 148 | 138.4 Ų | 138.4 | 69% | 0.692 | 70% | 0.704 | S | S | * | * | trans | -118.9 | 103.4 | 172.4 | -153.2 | -174.7 | 179.4 | 0 | 0 | 103.5 | S33 S37 | S33-E35 PolarHBondContact O-N 3.33Å; E35-S37 VanDerWaalsContact C-N 3.32Å; E35-S37 PolarHBondContact O-N 3.32Å | ||
| 36 | L | 49.1 | Very low | 63.7 | Low | 161 Ų | 161 | 134 Ų | 134 | 84% | 0.843 | 69% | 0.689 | S | S | * | * | trans | -50.8 | 98 | 177.9 | -174 | 73.5 | 0 | 0 | 0 | 107.5 | Q38 | L36-Q38 PolarHBondContact O-N 2.92Š| ||
| 37 | S | 51.7 | Low | 66.3 | Low | 106 Ų | 106 | 132.3 Ų | 132.3 | 74% | 0.741 | 66% | 0.664 | S | S | * | * | trans | -54.9 | 120.5 | 172.4 | -55.7 | 0 | 0 | 0 | 0 | 105.5 | E35 G39 | E35-S37 VanDerWaalsContact C-N 3.32Å; E35-S37 PolarHBondContact O-N 3.32Å; S37-G39 PolarHBondContact O-N 2.97Å | ||
| 38 | Q | 65.9 | Low | 68.4 | Low | 196 Ų | 196 | 125 Ų | 125 | 92% | 0.916 | 64% | 0.638 | S | S | * | * | trans | -61.7 | 72.5 | 158.2 | -82.6 | 146.1 | -51.2 | 0 | 0 | 106.6 | L36 | L36-Q38 PolarHBondContact O-N 2.92Š| ||
| 39 | G | 75.1 | Confident | 70.4 | Confident | 57 Ų | 57 | 122 Ų | 122 | 59% | 0.588 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 155.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | S37 | S37-G39 PolarHBondContact O-N 2.97Š|
| 40 | C | 83.7 | Confident | 72.1 | Confident | 46 Ų | 46 | 119.7 Ų | 119.7 | 31% | 0.311 | 62% | 0.622 | S | S | . | * | P | Polyproline II helix | trans | -53.2 | 150.7 | 172.1 | -57.5 | 0 | 0 | 0 | 0 | 111.2 | C44 C47 | C40-C44 HydrophobicContact CB-CB 3.86Å; C40-C44 WeakPolarHBondContact CB-O 3.42Å; C40-C47 WeakPolarHBondContact CA-SG 3.33Å; C40-C47 HydrophobicContact CB-CB 3.62Å; C40-C47 WeakPolarHBondContact CB-SG 3.44Å; C40-C47 WeakPolarHBondContact SG-CB 3Å; C40-C47 PolarHBondContact SG-N 2.9Å; C40-C47 CovalentContact SG-SG 2.03Å; C40-C47 PolarHBondContact SG-SG 2.92Å |
| 41 | A | 86 | Confident | 74.2 | Confident | 78 Ų | 78 | 112.7 Ų | 112.7 | 65% | 0.645 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 150.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | G43 C44 | A41-G43 PolarHBondContact O-N 3.48Å; A41-C44 WeakPolarHBondContact O-CB 3.41Å; A41-C44 PolarHBondContact O-N 2.02Å |
| 42 | R | 86.9 | Confident | 76.5 | Confident | 253 Ų | 253 | 102.1 Ų | 102.1 | 96% | 0.955 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.9 | 131.6 | -177.3 | -65.4 | -163.2 | -168.7 | 177.2 | 5.5 | 110.9 | C44 | R42-C44 VanDerWaalsContact C-N 3.33Š|
| 43 | G | 89.8 | Confident | 78.4 | Confident | 26 Ų | 26 | 95.5 Ų | 95.5 | 27% | 0.268 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | 5.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | A41 C56 S57 L60 | A41-G43 PolarHBondContact O-N 3.48Å; G43-C56 WeakPolarHBondContact O-CA 3.41Å; G43-S57 PolarHBondContact O-N 2.89Å; G43-S57 PolarHBondContact O-OG 2.99Å; G43-L60 WeakPolarHBondContact O-CD1 3.45Å |
| 44 | C | 93.8 | Very high | 80.6 | Confident | 14 Ų | 14 | 95.3 Ų | 95.3 | 10% | 0.095 | 53% | 0.526 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 120.2 | 171.3 | -175.1 | 0 | 0 | 0 | 0 | 110.4 | C40 A41 R42 L46 C53 | C40-C44 HydrophobicContact CB-CB 3.86Å; C40-C44 WeakPolarHBondContact CB-O 3.42Å; A41-C44 WeakPolarHBondContact O-CB 3.41Å; A41-C44 PolarHBondContact O-N 2.02Å; R42-C44 VanDerWaalsContact C-N 3.33Å; C44-L46 PolarHBondContact SG-O 3.13Å; C44-C53 VanDerWaalsContact CA-SG 3.55Å; C44-C53 HydrophobicContact CB-CB 3.84Å; C44-C53 WeakPolarHBondContact CB-SG 3.4Å; C44-C53 WeakPolarHBondContact SG-CA 3.42Å; C44-C53 WeakPolarHBondContact SG-CB 3.47Å; C44-C53 CovalentContact SG-SG 2.02Å; C44-C53 PolarHBondContact SG-SG 2.01Å |
| 45 | D | 92.3 | Very high | 82.6 | Confident | 90 Ų | 90 | 95.5 Ų | 95.5 | 48% | 0.481 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | -32.6 | 179.8 | -59.7 | -12.7 | 0 | 0 | 0 | 111.2 | R55 S57 | D45-R55 PolarHBondContact N-O 3.04Å; D45-S57 PolarHBondContact OD1-OG 2.97Å; D45-S57 WeakPolarHBondContact OD2-CA 3.26Å |
| 46 | L | 91.7 | Very high | 84.8 | Confident | 98 Ų | 98 | 88.9 Ų | 88.9 | 51% | 0.513 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 124.5 | 178.7 | -175.9 | 70.3 | 0 | 0 | 0 | 110.2 | C44 C53 L54 R55 | C44-L46 PolarHBondContact SG-O 3.13Å; L46-C53 PolarHBondContact O-SG 3.19Å; L46-L54 HydrophobicContact CB-CB 4.47Å; L46-L54 HydrophobicContact CD2-CB 4.11Å; L46-L54 HydrophobicContact CD2-CD1 4.09Å; L46-L54 HydrophobicContact CG-CB 4.2Å; L46-L54 HydrophobicContact CG-CD1 4.18Å; L46-L54 WeakPolarHBondContact O-CA 3.27Å; L46-L54 WeakPolarHBondContact O-CB 3.39Å; L46-L54 PolarHBondContact O-N 3.45Å; L46-R55 HydrophobicContact CB-CB 3.96Å; L46-R55 PolarHBondContact N-O 2.83Å; L46-R55 PolarHBondContact O-N 2.61Å |
| 47 | C | 93.3 | Very high | 86.9 | Confident | 47 Ų | 47 | 82.8 Ų | 82.8 | 32% | 0.318 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 164.2 | 179.5 | 63.2 | 0 | 0 | 0 | 0 | 112.3 | C40 G52 | C40-C47 WeakPolarHBondContact CA-SG 3.33Å; C40-C47 HydrophobicContact CB-CB 3.62Å; C40-C47 WeakPolarHBondContact CB-SG 3.44Å; C40-C47 WeakPolarHBondContact SG-CB 3Å; C40-C47 PolarHBondContact SG-N 2.9Å; C40-C47 CovalentContact SG-SG 2.03Å; C40-C47 PolarHBondContact SG-SG 2.92Å; C47-G52 CarbonylContact C-O 3.57Å; C47-G52 VanDerWaalsContact CA-O 3.24Å; C47-G52 WeakPolarHBondContact CA-O 3.01Å; C47-G52 WeakPolarHBondContact CB-O 2.97Å |
| 48 | S | 91.2 | Very high | 88.7 | Confident | 42 Ų | 42 | 83 Ų | 83 | 29% | 0.294 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 148.9 | 171.9 | 171.9 | 0 | 0 | 0 | 0 | 108.7 | F50 G52 | S48-F50 PolarHBondContact O-N 3.35Å; S48-G52 PolarHBondContact N-O 3.48Å; S48-G52 WeakPolarHBondContact O-CA 3.39Å; S48-G52 PolarHBondContact O-N 2.87Å |
| 49 | E | 86.9 | Confident | 89.9 | Confident | 179 Ų | 179 | 82.7 Ų | 82.7 | 84% | 0.836 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -31.1 | 178.5 | -64.1 | -178.7 | 171.4 | 0 | 0 | 113 | ||
| 50 | F | 87.4 | Confident | 90.9 | Very high | 125 Ų | 125 | 81.8 Ų | 81.8 | 55% | 0.548 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -32 | -173.8 | -58 | -69 | 0 | 0 | 0 | 114.3 | S48 | S48-F50 PolarHBondContact O-N 3.35Š|
| 51 | N | 91.5 | Very high | 91.5 | Very high | 81 Ų | 81 | 80.5 Ų | 80.5 | 43% | 0.433 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 1.5 | -175.5 | -63.3 | -38.1 | 0 | 0 | 0 | 112.5 | L54 I72 G73 | N51-L54 HydrophobicContact CB-CD2 3.76Å; N51-I72 CarbonylContact O-C 3.59Å; N51-I72 WeakPolarHBondContact O-CA 3.4Å; N51-G73 PolarHBondContact O-N 3.05Å |
| 52 | G | 91.9 | Very high | 91.9 | Very high | 21 Ų | 21 | 77.2 Ų | 77.2 | 22% | 0.216 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 62.9 | -136 | -173 | 0 | 0 | 0 | 0 | 0 | 111.4 | C47 S48 | C47-G52 CarbonylContact C-O 3.57Å; C47-G52 VanDerWaalsContact CA-O 3.24Å; C47-G52 WeakPolarHBondContact CA-O 3.01Å; C47-G52 WeakPolarHBondContact CB-O 2.97Å; S48-G52 PolarHBondContact N-O 3.48Å; S48-G52 WeakPolarHBondContact O-CA 3.39Å; S48-G52 PolarHBondContact O-N 2.87Å |
| 53 | C | 93.6 | Very high | 92.3 | Very high | 10 Ų | 10 | 66 Ų | 66 | 7% | 0.068 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 128.4 | 179 | -165.3 | 0 | 0 | 0 | 0 | 112.5 | C44 L46 R55 I62 G73 C75 | C44-C53 VanDerWaalsContact CA-SG 3.55Å; C44-C53 HydrophobicContact CB-CB 3.84Å; C44-C53 WeakPolarHBondContact CB-SG 3.4Å; C44-C53 WeakPolarHBondContact SG-CA 3.42Å; C44-C53 WeakPolarHBondContact SG-CB 3.47Å; C44-C53 CovalentContact SG-SG 2.02Å; C44-C53 PolarHBondContact SG-SG 2.01Å; L46-C53 PolarHBondContact O-SG 3.19Å; C53-R55 PolarHBondContact SG-O 2.87Å; C53-I62 WeakPolarHBondContact O-CD1 3.21Å; C53-G73 WeakPolarHBondContact CB-O 3.46Å; C53-G73 PolarHBondContact N-O 2.87Å; C53-G73 WeakPolarHBondContact O-CA 3.22Å; C53-C75 PolarHBondContact SG-SG 2.91Å |
| 54 | L | 92 | Very high | 92.5 | Very high | 81 Ų | 81 | 68.7 Ų | 68.7 | 42% | 0.424 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | -35.7 | 173.9 | -56.3 | -179.9 | 0 | 0 | 0 | 111.5 | L46 N51 | L46-L54 HydrophobicContact CB-CB 4.47Å; L46-L54 HydrophobicContact CD2-CB 4.11Å; L46-L54 HydrophobicContact CD2-CD1 4.09Å; L46-L54 HydrophobicContact CG-CB 4.2Å; L46-L54 HydrophobicContact CG-CD1 4.18Å; L46-L54 WeakPolarHBondContact O-CA 3.27Å; L46-L54 WeakPolarHBondContact O-CB 3.39Å; L46-L54 PolarHBondContact O-N 3.45Å; N51-L54 HydrophobicContact CB-CD2 3.76Å |
| 55 | R | 92.6 | Very high | 92.5 | Very high | 147 Ų | 147 | 72.3 Ų | 72.3 | 56% | 0.555 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 118 | 179.1 | -167.9 | 178.6 | -173.2 | 169.2 | 3.6 | 111.6 | D45 L46 C53 | D45-R55 PolarHBondContact N-O 3.04Å; L46-R55 HydrophobicContact CB-CB 3.96Å; L46-R55 PolarHBondContact N-O 2.83Å; L46-R55 PolarHBondContact O-N 2.61Å; C53-R55 PolarHBondContact SG-O 2.87Å |
| 56 | C | 94.6 | Very high | 92.4 | Very high | 9 Ų | 9 | 77.4 Ų | 77.4 | 6% | 0.061 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 154.3 | 173.2 | -58.8 | 0 | 0 | 0 | 0 | 111.6 | G43 L60 C75 | G43-C56 WeakPolarHBondContact O-CA 3.41Å; C56-L60 HydrophobicContact CB-CB 4.09Å; C56-C75 WeakPolarHBondContact CA-SG 3.49Å; C56-C75 HydrophobicContact CB-CB 3.81Å; C56-C75 WeakPolarHBondContact CB-SG 3.32Å; C56-C75 WeakPolarHBondContact SG-CA 2.93Å; C56-C75 WeakPolarHBondContact SG-CB 3.24Å; C56-C75 CovalentContact SG-SG 2.03Å; C56-C75 PolarHBondContact SG-SG 3.47Å |
| 57 | S | 92.9 | Very high | 92.1 | Very high | 32 Ų | 32 | 76.7 Ų | 76.7 | 22% | 0.224 | 38% | 0.38 | C | S | . | . | trans | -57.2 | 148.8 | 169.2 | -51.1 | 0 | 0 | 0 | 0 | 110.8 | G43 D45 K59 L60 | G43-S57 PolarHBondContact O-N 2.89Å; G43-S57 PolarHBondContact O-OG 2.99Å; D45-S57 PolarHBondContact OD1-OG 2.97Å; D45-S57 WeakPolarHBondContact OD2-CA 3.26Å; S57-K59 PolarHBondContact O-N 2.93Å; S57-L60 PolarHBondContact O-N 3.47Å | ||
| 58 | P | 89.8 | Confident | 91.7 | Very high | 111 Ų | 111 | 81.5 Ų | 81.5 | 72% | 0.721 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -15.7 | -163.2 | 19 | -32.3 | 0 | 0 | 0 | 116.5 | N92 | P58-N92 PolarHBondContact O-ND2 2.81Š|
| 59 | K | 91.3 | Very high | 91.5 | Very high | 190 Ų | 190 | 87.5 Ų | 87.5 | 83% | 0.826 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -12.9 | 176.8 | -65 | -174.5 | -179.2 | 179.5 | 0 | 113.8 | S57 | S57-K59 PolarHBondContact O-N 2.93Š|
| 60 | L | 95.4 | Very high | 91.5 | Very high | 37 Ų | 37 | 86 Ų | 86 | 19% | 0.194 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -97.2 | 160.9 | -175.9 | -57.4 | 180 | 0 | 0 | 0 | 110.8 | G43 C56 S57 C75 L76 P77 N92 | G43-L60 WeakPolarHBondContact O-CD1 3.45Å; C56-L60 HydrophobicContact CB-CB 4.09Å; S57-L60 PolarHBondContact O-N 3.47Å; L60-C75 HydrophobicContact CB-CB 4.34Å; L60-C75 HydrophobicContact CD1-CB 3.98Å; L60-L76 WeakPolarHBondContact CA-O 3.49Å; L60-P77 HydrophobicContact CD2-CB 4.16Å; L60-N92 WeakPolarHBondContact O-CB 3.04Å; L60-N92 PolarHBondContact O-ND2 3.38Å |
| 61 | F | 96.3 | Very high | 91.6 | Very high | 20 Ų | 20 | 85 Ų | 85 | 9% | 0.088 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 133.7 | 174.3 | -62.9 | -97.9 | 0 | 0 | 0 | 109.7 | C75 L76 R87 N92 C94 | F61-C75 WeakPolarHBondContact O-CA 3.29Å; F61-L76 PolarHBondContact N-O 2.65Å; F61-L76 PolarHBondContact O-N 3.4Å; F61-R87 HydrophobicContact CE1-CG 4.1Å; F61-R87 HydrophobicContact CZ-CG 4.26Å; F61-N92 CarbonylContact C-O 3.51Å; F61-N92 WeakPolarHBondContact CA-O 3.3Å; F61-N92 HydrophobicContact CB-CB 4.46Å; F61-N92 HydrophobicContact CD1-CB 3.37Å; F61-N92 HydrophobicContact CE1-CB 3.62Å; F61-N92 HydrophobicContact CG-CB 3.92Å; F61-N92 HydrophobicContact CZ-CB 4.36Å; F61-C94 WeakPolarHBondContact CB-SG 3.43Å |
| 62 | I | 95.3 | Very high | 91.7 | Very high | 9 Ų | 9 | 83.6 Ų | 83.6 | 5% | 0.046 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 127.9 | 168.9 | -163.8 | 168.3 | 0 | 0 | 0 | 109.8 | C53 L64 I74 M91 N92 K93 C94 | C53-I62 WeakPolarHBondContact O-CD1 3.21Å; I62-L64 HydrophobicContact CD1-CD2 4.17Å; I62-L64 HydrophobicContact CG1-CD2 4.3Å; I62-I74 CarbonylContact C-O 3.51Å; I62-I74 WeakPolarHBondContact CA-O 3.32Å; I62-M91 HydrophobicContact CB-CE 3.98Å; I62-M91 HydrophobicContact CD1-CE 3.73Å; I62-M91 HydrophobicContact CG1-CE 4.48Å; I62-M91 HydrophobicContact CG2-CE 3.5Å; I62-M91 VanDerWaalsContact CG2-CE 3.5Å; I62-M91 HydrophobicContact CG2-SD 4.37Å; I62-N92 PolarHBondContact N-O 3.32Å; I62-K93 HydrophobicContact CG2-CB 4.22Å; I62-K93 HydrophobicContact CG2-CG 3.73Å; I62-K93 CarbonylContact O-C 3.54Å; I62-K93 WeakPolarHBondContact O-CA 3.25Å; I62-C94 PolarHBondContact O-N 3.24Å |
| 63 | L | 95.6 | Very high | 91.8 | Very high | 17 Ų | 17 | 82.9 Ų | 82.9 | 9% | 0.089 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 130.2 | 166.4 | 176.7 | 66.2 | 0 | 0 | 0 | 108 | G73 I74 L76 P80 Y83 C94 | L63-G73 WeakPolarHBondContact O-CA 3.06Å; L63-I74 PolarHBondContact N-O 3.45Å; L63-I74 PolarHBondContact O-N 2.84Å; L63-L76 HydrophobicContact CB-CD1 4.17Å; L63-L76 HydrophobicContact CD2-CD1 3.92Å; L63-P80 HydrophobicContact CD2-CG 3.99Å; L63-Y83 HydrophobicContact CD1-CD1 3.66Å; L63-Y83 HydrophobicContact CD1-CE1 3.49Å; L63-Y83 VanDerWaalsContact CD1-CE1 3.49Å; L63-Y83 HydrophobicContact CD1-CG 4.3Å; L63-C94 HydrophobicContact CB-CB 4.2Å; L63-C94 HydrophobicContact CD1-CB 3.81Å |
| 64 | L | 93.6 | Very high | 91.8 | Very high | 83 Ų | 83 | 85.1 Ų | 85.1 | 44% | 0.435 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 101.3 | 174.3 | -61.4 | 176.1 | 0 | 0 | 0 | 108.6 | I62 Q71 | I62-L64 HydrophobicContact CD1-CD2 4.17Å; I62-L64 HydrophobicContact CG1-CD2 4.3Å; L64-Q71 HydrophobicContact CB-CG 4.01Å; L64-Q71 HydrophobicContact CD2-CG 4.43Å |
| 65 | E | 92.4 | Very high | 91.9 | Very high | 90 Ų | 90 | 82.4 Ų | 82.4 | 42% | 0.421 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 133.8 | 176.1 | -170.5 | 166.4 | -138.6 | 0 | 0 | 109.6 | Q71 I72 I74 | E65-Q71 WeakPolarHBondContact O-CA 3.46Å; E65-I72 PolarHBondContact N-O 3.03Å; E65-I72 PolarHBondContact O-N 3.08Å; E65-I74 HydrophobicContact CB-CD1 4.17Å; E65-I74 VanDerWaalsContact OE2-CD1 3.25Å; E65-I74 WeakPolarHBondContact OE2-CD1 3.42Å |
| 66 | R | 91.2 | Very high | 92.1 | Very high | 197 Ų | 197 | 77.7 Ų | 77.7 | 74% | 0.743 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 111.7 | -178.4 | -169.7 | -178.4 | -165.6 | 165.9 | 8.9 | 109.3 | D68 R70 | R66-D68 PolarHBondContact NE-O 2.86Å; R66-R70 WeakPolarHBondContact CA-O 3.3Å |
| 67 | N | 85.9 | Confident | 92.1 | Very high | 82 Ų | 82 | 81.9 Ų | 81.9 | 44% | 0.439 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 92.3 | 172.8 | -64.6 | -15.2 | 0 | 0 | 0 | 106.8 | I69 R70 | N67-I69 PolarHBondContact O-N 3.4Å; N67-I69 VanDerWaalsContact O-N 3.09Å; N67-R70 PolarHBondContact N-O 3.4Å; N67-R70 PolarHBondContact O-N 3.46Å |
| 68 | D | 84.3 | Confident | 92.1 | Very high | 149 Ų | 149 | 84.6 Ų | 84.6 | 80% | 0.797 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | -104.2 | -175.5 | -54.1 | -52.6 | 0 | 0 | 0 | 113.8 | R66 | R66-D68 PolarHBondContact NE-O 2.86Š|
| 69 | I | 86.9 | Confident | 92.4 | Very high | 168 Ų | 168 | 80.8 Ų | 80.8 | 86% | 0.862 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -20.9 | -178.2 | -51.1 | 173 | 0 | 0 | 0 | 110.6 | N67 | N67-I69 PolarHBondContact O-N 3.4Å; N67-I69 VanDerWaalsContact O-N 3.09Å |
| 70 | R | 86.1 | Confident | 92.5 | Very high | 146 Ų | 146 | 74.2 Ų | 74.2 | 55% | 0.551 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92 | 140.9 | -175.6 | -62.1 | -178.6 | -173.9 | -95.5 | 0.6 | 110.7 | R66 N67 | R66-R70 WeakPolarHBondContact CA-O 3.3Å; N67-R70 PolarHBondContact N-O 3.4Å; N67-R70 PolarHBondContact O-N 3.46Å |
| 71 | Q | 91 | Very high | 92.3 | Very high | 104 Ų | 104 | 79 Ų | 79 | 49% | 0.486 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 117.8 | 171.5 | -173.1 | 171.8 | 38.2 | 0 | 0 | 108.4 | L64 E65 | L64-Q71 HydrophobicContact CB-CG 4.01Å; L64-Q71 HydrophobicContact CD2-CG 4.43Å; E65-Q71 WeakPolarHBondContact O-CA 3.46Å |
| 72 | I | 92.4 | Very high | 92 | Very high | 53 Ų | 53 | 79.1 Ų | 79.1 | 27% | 0.272 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 128.1 | -174.3 | -58.9 | 174.5 | 0 | 0 | 0 | 108.5 | N51 E65 I74 | N51-I72 CarbonylContact O-C 3.59Å; N51-I72 WeakPolarHBondContact O-CA 3.4Å; E65-I72 PolarHBondContact N-O 3.03Å; E65-I72 PolarHBondContact O-N 3.08Å; I72-I74 HydrophobicContact CG2-CG1 4.49Å |
| 73 | G | 93.7 | Very high | 92 | Very high | 5 Ų | 5 | 82.2 Ų | 82.2 | 5% | 0.052 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 129.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | N51 C53 L63 | N51-G73 PolarHBondContact O-N 3.05Å; C53-G73 WeakPolarHBondContact CB-O 3.46Å; C53-G73 PolarHBondContact N-O 2.87Å; C53-G73 WeakPolarHBondContact O-CA 3.22Å; L63-G73 WeakPolarHBondContact O-CA 3.06Å |
| 74 | I | 93.7 | Very high | 92 | Very high | 58 Ų | 58 | 82 Ų | 82 | 30% | 0.297 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 133.6 | 179.9 | -55.7 | 173.6 | 0 | 0 | 0 | 108.4 | I62 L63 E65 I72 L76 | I62-I74 CarbonylContact C-O 3.51Å; I62-I74 WeakPolarHBondContact CA-O 3.32Å; L63-I74 PolarHBondContact N-O 3.45Å; L63-I74 PolarHBondContact O-N 2.84Å; E65-I74 HydrophobicContact CB-CD1 4.17Å; E65-I74 VanDerWaalsContact OE2-CD1 3.25Å; E65-I74 WeakPolarHBondContact OE2-CD1 3.42Å; I72-I74 HydrophobicContact CG2-CG1 4.49Å; I74-L76 HydrophobicContact CG2-CD2 4.1Å; I74-L76 HydrophobicContact CG2-CG 4.28Å |
| 75 | C | 95.6 | Very high | 92 | Very high | 24 Ų | 24 | 79.8 Ų | 79.8 | 16% | 0.162 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 124.1 | 177.9 | -58.3 | 0 | 0 | 0 | 0 | 111 | C53 C56 L60 F61 | C53-C75 PolarHBondContact SG-SG 2.91Å; C56-C75 WeakPolarHBondContact CA-SG 3.49Å; C56-C75 HydrophobicContact CB-CB 3.81Å; C56-C75 WeakPolarHBondContact CB-SG 3.32Å; C56-C75 WeakPolarHBondContact SG-CA 2.93Å; C56-C75 WeakPolarHBondContact SG-CB 3.24Å; C56-C75 CovalentContact SG-SG 2.03Å; C56-C75 PolarHBondContact SG-SG 3.47Å; L60-C75 HydrophobicContact CB-CB 4.34Å; L60-C75 HydrophobicContact CD1-CB 3.98Å; F61-C75 WeakPolarHBondContact O-CA 3.29Å |
| 76 | L | 95.3 | Very high | 92.1 | Very high | 47 Ų | 47 | 78.5 Ų | 78.5 | 25% | 0.246 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 146.3 | -178.2 | -61.9 | 175.3 | 0 | 0 | 0 | 111.3 | L60 F61 L63 I74 S78 P80 | L60-L76 WeakPolarHBondContact CA-O 3.49Å; F61-L76 PolarHBondContact N-O 2.65Å; F61-L76 PolarHBondContact O-N 3.4Å; L63-L76 HydrophobicContact CB-CD1 4.17Å; L63-L76 HydrophobicContact CD2-CD1 3.92Å; I74-L76 HydrophobicContact CG2-CD2 4.1Å; I74-L76 HydrophobicContact CG2-CG 4.28Å; L76-S78 VanDerWaalsContact C-N 3.32Å; L76-S78 WeakPolarHBondContact CB-O 3.32Å; L76-P80 HydrophobicContact CD1-CG 4.5Å |
| 77 | P | 94.7 | Very high | 92.2 | Very high | 97 Ų | 97 | 78.6 Ų | 78.6 | 63% | 0.63 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -70 | -31.6 | 173.6 | 28.2 | -33.6 | 0 | 0 | 0 | 112.3 | L60 | L60-P77 HydrophobicContact CD2-CB 4.16Š|
| 78 | S | 94.3 | Very high | 92.3 | Very high | 90 Ų | 90 | 78 Ų | 78 | 63% | 0.629 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -141.2 | 146.3 | 178.3 | -62.9 | 0 | 0 | 0 | 0 | 109.6 | L76 | L76-S78 VanDerWaalsContact C-N 3.32Å; L76-S78 WeakPolarHBondContact CB-O 3.32Å |
| 79 | C | 94.8 | Very high | 92.5 | Very high | 30 Ų | 30 | 77.5 Ų | 77.5 | 20% | 0.203 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 144.1 | 178.1 | -63 | 0 | 0 | 0 | 0 | 111.7 | G85 C94 | C79-G85 WeakPolarHBondContact SG-CA 3.39Å; C79-C94 WeakPolarHBondContact CA-SG 3.28Å; C79-C94 HydrophobicContact CB-CB 3.86Å; C79-C94 WeakPolarHBondContact CB-SG 3.4Å; C79-C94 WeakPolarHBondContact SG-CA 3.21Å; C79-C94 WeakPolarHBondContact SG-CB 3.29Å; C79-C94 CovalentContact SG-SG 2.04Å; C79-C94 PolarHBondContact SG-SG 2.78Å |
| 80 | P | 94.2 | Very high | 92.5 | Very high | 52 Ų | 52 | 75.6 Ų | 75.6 | 34% | 0.338 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 170.1 | 179 | 29.7 | -34.5 | 0 | 0 | 0 | 112.2 | L63 L76 Y83 | L63-P80 HydrophobicContact CD2-CG 3.99Å; L76-P80 HydrophobicContact CD1-CG 4.5Å; P80-Y83 HydrophobicContact CG-CD2 3.76Å; P80-Y83 HydrophobicContact CG-CE2 4.34Å; P80-Y83 HydrophobicContact CG-CG 4.22Å; P80-Y83 WeakPolarHBondContact O-CB 3.29Å; P80-Y83 PolarHBondContact O-N 2.77Å |
| 81 | L | 90.8 | Very high | 92.6 | Very high | 138 Ų | 138 | 70.7 Ų | 70.7 | 72% | 0.723 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 140.7 | 176.8 | -66.4 | 175.6 | 0 | 0 | 0 | 111.5 | Y83 | L81-Y83 PolarHBondContact O-N 2.85Š|
| 82 | G | 90.7 | Very high | 92.8 | Very high | 22 Ų | 22 | 66.7 Ų | 66.7 | 23% | 0.227 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | 5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115 | C97 E103 | G82-C97 WeakPolarHBondContact O-CB 3.28Å; G82-C97 PolarHBondContact O-N 2.03Å; G82-C97 PolarHBondContact O-SG 2.69Å; G82-C97 VanDerWaalsContact O-SG 3.35Å; G82-E103 PolarHBondContact N-O 2.83Å |
| 83 | Y | 93.9 | Very high | 92.9 | Very high | 74 Ų | 74 | 67.9 Ų | 67.9 | 29% | 0.29 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 148 | 171.3 | -66.4 | -104.6 | 0 | 0 | 0 | 110.9 | L63 P80 L81 C94 I95 K96 | L63-Y83 HydrophobicContact CD1-CD1 3.66Å; L63-Y83 HydrophobicContact CD1-CE1 3.49Å; L63-Y83 VanDerWaalsContact CD1-CE1 3.49Å; L63-Y83 HydrophobicContact CD1-CG 4.3Å; P80-Y83 HydrophobicContact CG-CD2 3.76Å; P80-Y83 HydrophobicContact CG-CE2 4.34Å; P80-Y83 HydrophobicContact CG-CG 4.22Å; P80-Y83 WeakPolarHBondContact O-CB 3.29Å; P80-Y83 PolarHBondContact O-N 2.77Å; L81-Y83 PolarHBondContact O-N 2.85Å; Y83-C94 HydrophobicContact CD1-CB 4.24Å; Y83-I95 CarbonylContact C-O 3.55Å; Y83-I95 VanDerWaalsContact CA-O 3.26Å; Y83-I95 WeakPolarHBondContact CA-O 3.46Å; Y83-K96 HydrophobicContact CD1-CB 3.97Å; Y83-K96 VanDerWaalsContact CD1-N 3.32Å; Y83-K96 HydrophobicContact CE1-CB 3.65Å; Y83-K96 HydrophobicContact CE1-CG 4.19Å |
| 84 | F | 95.5 | Very high | 93 | Very high | 14 Ų | 14 | 68.1 Ų | 68.1 | 6% | 0.061 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 145.2 | 171.2 | 71.6 | -83 | 0 | 0 | 0 | 110.5 | I95 C105 F106 R108 | F84-I95 HydrophobicContact CD1-CB 4.19Å; F84-I95 WeakPolarHBondContact CD1-O 2.78Å; F84-I95 HydrophobicContact CE1-CB 3.69Å; F84-I95 HydrophobicContact CE1-CG2 3.64Å; F84-I95 HydrophobicContact CE2-CB 4.3Å; F84-I95 HydrophobicContact CZ-CB 3.75Å; F84-I95 HydrophobicContact CZ-CG1 4.46Å; F84-I95 HydrophobicContact CZ-CG2 3.78Å; F84-I95 PolarHBondContact N-O 3.26Å; F84-I95 PolarHBondContact O-N 3.48Å; F84-C105 WeakPolarHBondContact CB-O 3.44Å; F84-C105 WeakPolarHBondContact CD1-SG 3.24Å; F84-F106 WeakPolarHBondContact CD2-O 3.47Å; F84-R108 HydrophobicContact CE1-CB 4.4Å; F84-R108 HydrophobicContact CZ-CB 3.99Å |
| 85 | G | 94.7 | Very high | 93 | Very high | 36 Ų | 36 | 67.6 Ų | 67.6 | 37% | 0.371 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 123.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | C79 | C79-G85 WeakPolarHBondContact SG-CA 3.39Å |
| 86 | L | 94.1 | Very high | 92.9 | Very high | 63 Ų | 63 | 73 Ų | 73 | 33% | 0.33 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 119.9 | 171.6 | -173.7 | 70 | 0 | 0 | 0 | 109.1 | N88 N92 K93 I95 | L86-N88 WeakPolarHBondContact CG-OD1 3.4Å; L86-N92 CarbonylContact O-C 3.51Å; L86-N92 VanDerWaalsContact O-CA 3.26Å; L86-N92 WeakPolarHBondContact O-CA 3.5Å; L86-K93 PolarHBondContact N-O 2.63Å; L86-K93 PolarHBondContact O-N 3.44Å; L86-I95 HydrophobicContact CB-CG1 4.21Å; L86-I95 HydrophobicContact CD2-CG1 4.48Å |
| 87 | R | 92.9 | Very high | 92.8 | Very high | 199 Ų | 199 | 71.7 Ų | 71.7 | 75% | 0.751 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 111.3 | 174.8 | -64 | -173.1 | 175.5 | 145.7 | 0.1 | 109.4 | F61 N92 | F61-R87 HydrophobicContact CE1-CG 4.1Å; F61-R87 HydrophobicContact CZ-CG 4.26Å; R87-N92 WeakPolarHBondContact CA-OD1 3.47Å; R87-N92 WeakPolarHBondContact CB-OD1 3.41Å; R87-N92 HydrophobicContact CG-CB 4.49Å; R87-N92 WeakPolarHBondContact CG-OD1 3.06Å |
| 88 | N | 89.3 | Confident | 92.7 | Very high | 70 Ų | 70 | 74.6 Ų | 74.6 | 37% | 0.374 | 39% | 0.391 | S | S | . | . | trans | -107 | 164.3 | 171.9 | -69.9 | -5.3 | 0 | 0 | 0 | 109.9 | L86 D90 M91 | L86-N88 WeakPolarHBondContact CG-OD1 3.4Å; N88-D90 PolarHBondContact O-N 2.04Å; N88-M91 WeakPolarHBondContact CB-O 3.05Å | ||
| 89 | T | 88.6 | Confident | 92.6 | Very high | 138 Ų | 138 | 71.6 Ų | 71.6 | 85% | 0.847 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -56.9 | -34.6 | 173.2 | 46.4 | 0 | 0 | 0 | 0 | 112.7 | ||
| 90 | D | 85.4 | Confident | 92.5 | Very high | 127 Ų | 127 | 77.8 Ų | 77.8 | 68% | 0.679 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -87.9 | -43.9 | -170.9 | -45.7 | -31.5 | 0 | 0 | 0 | 111.6 | N88 | N88-D90 PolarHBondContact O-N 2.04Š|
| 91 | M | 89.3 | Confident | 92.4 | Very high | 43 Ų | 43 | 78.5 Ų | 78.5 | 21% | 0.212 | 39% | 0.394 | C | S | . | . | trans | -167.7 | 149.9 | 178.6 | 64.7 | -166.5 | -45.6 | 0 | 0 | 111 | I62 N88 K93 | I62-M91 HydrophobicContact CB-CE 3.98Å; I62-M91 HydrophobicContact CD1-CE 3.73Å; I62-M91 HydrophobicContact CG1-CE 4.48Å; I62-M91 HydrophobicContact CG2-CE 3.5Å; I62-M91 VanDerWaalsContact CG2-CE 3.5Å; I62-M91 HydrophobicContact CG2-SD 4.37Å; N88-M91 WeakPolarHBondContact CB-O 3.05Å; M91-K93 HydrophobicContact CG-CD 4.38Å; M91-K93 VanDerWaalsContact CG-CE 3.41Å; M91-K93 HydrophobicContact CG-CG 4Å; M91-K93 WeakPolarHBondContact SD-CE 3Å | ||
| 92 | N | 94.6 | Very high | 92.5 | Very high | 20 Ų | 20 | 72.6 Ų | 72.6 | 11% | 0.107 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 136.4 | 172.7 | -41.1 | -59.3 | 0 | 0 | 0 | 110 | P58 L60 F61 I62 L86 R87 | P58-N92 PolarHBondContact O-ND2 2.81Å; L60-N92 WeakPolarHBondContact O-CB 3.04Å; L60-N92 PolarHBondContact O-ND2 3.38Å; F61-N92 CarbonylContact C-O 3.51Å; F61-N92 WeakPolarHBondContact CA-O 3.3Å; F61-N92 HydrophobicContact CB-CB 4.46Å; F61-N92 HydrophobicContact CD1-CB 3.37Å; F61-N92 HydrophobicContact CE1-CB 3.62Å; F61-N92 HydrophobicContact CG-CB 3.92Å; F61-N92 HydrophobicContact CZ-CB 4.36Å; I62-N92 PolarHBondContact N-O 3.32Å; L86-N92 CarbonylContact O-C 3.51Å; L86-N92 VanDerWaalsContact O-CA 3.26Å; L86-N92 WeakPolarHBondContact O-CA 3.5Å; R87-N92 WeakPolarHBondContact CA-OD1 3.47Å; R87-N92 WeakPolarHBondContact CB-OD1 3.41Å; R87-N92 HydrophobicContact CG-CB 4.49Å; R87-N92 WeakPolarHBondContact CG-OD1 3.06Å |
| 93 | K | 94.7 | Very high | 92.6 | Very high | 78 Ų | 78 | 74.5 Ų | 74.5 | 34% | 0.339 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 143.8 | -176.4 | -58.2 | -173.2 | 176.5 | -179.5 | 0 | 111.1 | I62 L86 M91 I95 | I62-K93 HydrophobicContact CG2-CB 4.22Å; I62-K93 HydrophobicContact CG2-CG 3.73Å; I62-K93 CarbonylContact O-C 3.54Å; I62-K93 WeakPolarHBondContact O-CA 3.25Å; L86-K93 PolarHBondContact N-O 2.63Å; L86-K93 PolarHBondContact O-N 3.44Å; M91-K93 HydrophobicContact CG-CD 4.38Å; M91-K93 VanDerWaalsContact CG-CE 3.41Å; M91-K93 HydrophobicContact CG-CG 4Å; M91-K93 WeakPolarHBondContact SD-CE 3Å; K93-I95 HydrophobicContact CB-CD1 4.16Å |
| 94 | C | 95.6 | Very high | 92.5 | Very high | 10 Ų | 10 | 72.5 Ų | 72.5 | 7% | 0.068 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 121.5 | 166.4 | -66.2 | 0 | 0 | 0 | 0 | 109.8 | F61 I62 L63 C79 Y83 | F61-C94 WeakPolarHBondContact CB-SG 3.43Å; I62-C94 PolarHBondContact O-N 3.24Å; L63-C94 HydrophobicContact CB-CB 4.2Å; L63-C94 HydrophobicContact CD1-CB 3.81Å; C79-C94 WeakPolarHBondContact CA-SG 3.28Å; C79-C94 HydrophobicContact CB-CB 3.86Å; C79-C94 WeakPolarHBondContact CB-SG 3.4Å; C79-C94 WeakPolarHBondContact SG-CA 3.21Å; C79-C94 WeakPolarHBondContact SG-CB 3.29Å; C79-C94 CovalentContact SG-SG 2.04Å; C79-C94 PolarHBondContact SG-SG 2.78Å; Y83-C94 HydrophobicContact CD1-CB 4.24Å |
| 95 | I | 93.9 | Very high | 92.4 | Very high | 48 Ų | 48 | 72.3 Ų | 72.3 | 25% | 0.246 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 131.9 | -179.5 | -55.6 | -61 | 0 | 0 | 0 | 109.1 | Y83 F84 L86 K93 C97 | Y83-I95 CarbonylContact C-O 3.55Å; Y83-I95 VanDerWaalsContact CA-O 3.26Å; Y83-I95 WeakPolarHBondContact CA-O 3.46Å; F84-I95 HydrophobicContact CD1-CB 4.19Å; F84-I95 WeakPolarHBondContact CD1-O 2.78Å; F84-I95 HydrophobicContact CE1-CB 3.69Å; F84-I95 HydrophobicContact CE1-CG2 3.64Å; F84-I95 HydrophobicContact CE2-CB 4.3Å; F84-I95 HydrophobicContact CZ-CB 3.75Å; F84-I95 HydrophobicContact CZ-CG1 4.46Å; F84-I95 HydrophobicContact CZ-CG2 3.78Å; F84-I95 PolarHBondContact N-O 3.26Å; F84-I95 PolarHBondContact O-N 3.48Å; L86-I95 HydrophobicContact CB-CG1 4.21Å; L86-I95 HydrophobicContact CD2-CG1 4.48Å; K93-I95 HydrophobicContact CB-CD1 4.16Å; I95-C97 PolarHBondContact O-N 3.32Å |
| 96 | K | 93.1 | Very high | 92.4 | Very high | 137 Ų | 137 | 77.8 Ų | 77.8 | 60% | 0.596 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 135 | 178.7 | -165.9 | 173.1 | -178 | 175.1 | 0 | 110.8 | Y83 K98 | Y83-K96 HydrophobicContact CD1-CB 3.97Å; Y83-K96 VanDerWaalsContact CD1-N 3.32Å; Y83-K96 HydrophobicContact CE1-CB 3.65Å; Y83-K96 HydrophobicContact CE1-CG 4.19Å; K96-K98 PolarHBondContact O-N 2.93Å |
| 97 | C | 93.8 | Very high | 92.3 | Very high | 19 Ų | 19 | 76.6 Ų | 76.6 | 13% | 0.128 | 38% | 0.376 | C | S | . | . | trans | -59.5 | 129.2 | 171.9 | -63.4 | 0 | 0 | 0 | 0 | 109.6 | G82 I95 C105 | G82-C97 WeakPolarHBondContact O-CB 3.28Å; G82-C97 PolarHBondContact O-N 2.03Å; G82-C97 PolarHBondContact O-SG 2.69Å; G82-C97 VanDerWaalsContact O-SG 3.35Å; I95-C97 PolarHBondContact O-N 3.32Å; C97-C105 WeakPolarHBondContact CA-SG 3.39Å; C97-C105 HydrophobicContact CB-CB 3.95Å; C97-C105 WeakPolarHBondContact CB-SG 3.39Å; C97-C105 WeakPolarHBondContact SG-CB 3.35Å; C97-C105 PolarHBondContact SG-N 2.87Å; C97-C105 VanDerWaalsContact SG-N 3.45Å; C97-C105 CovalentContact SG-SG 2.03Å; C97-C105 PolarHBondContact SG-SG 2.85Å | ||
| 98 | K | 92.9 | Very high | 92.1 | Very high | 158 Ų | 158 | 74 Ų | 74 | 69% | 0.687 | 37% | 0.366 | S | S | * | . | trans | -105.3 | 3.3 | 177 | -65 | -170.8 | 177.7 | -171.3 | 0 | 113 | K96 | K96-K98 PolarHBondContact O-N 2.93Š| ||
| 99 | I | 93.1 | Very high | 92.2 | Very high | 27 Ų | 27 | 75.7 Ų | 75.7 | 14% | 0.138 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -81.5 | 130 | -178.5 | -52 | 171.4 | 0 | 0 | 0 | 108.2 | C102 C105 R108 F110 C111 | I99-C102 HydrophobicContact CB-CB 3.75Å; I99-C102 HydrophobicContact CG2-CB 3.94Å; I99-C102 WeakPolarHBondContact O-CB 3.49Å; I99-C105 HydrophobicContact CD1-CB 3.99Å; I99-R108 WeakPolarHBondContact CG1-O 3.04Å; I99-F110 VanDerWaalsContact CD1-C 3.43Å; I99-C111 HydrophobicContact CD1-CB 3.89Å; I99-C111 VanDerWaalsContact CD1-N 3.3Å; I99-C111 HydrophobicContact CG2-CB 4.3Å |
| 100 | E | 91.1 | Very high | 92.5 | Very high | 160 Ų | 160 | 73.7 Ų | 73.7 | 75% | 0.748 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | 141.8 | 177.7 | -63.9 | -174 | 178.8 | 0 | 0 | 111.3 | C102 | E100-C102 PolarHBondContact O-N 3.01Š|
| 101 | N | 91.9 | Very high | 92.9 | Very high | 67 Ų | 67 | 67.7 Ų | 67.7 | 36% | 0.358 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 25.3 | 179 | -56.6 | -45.2 | 0 | 0 | 0 | 115.2 | K115 L118 C125 | N101-K115 WeakPolarHBondContact O-CG 3.04Å; N101-K115 PolarHBondContact O-N 3.4Å; N101-L118 HydrophobicContact CB-CD1 4Å; N101-L118 HydrophobicContact CB-CD2 3.53Å; N101-L118 HydrophobicContact CB-CG 4.41Å; N101-C125 HydrophobicContact CB-CB 4.26Å; N101-C125 PolarHBondContact O-SG 3.01Å |
| 102 | C | 93.6 | Very high | 93.1 | Very high | 14 Ų | 14 | 68.8 Ų | 68.8 | 10% | 0.095 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 132.1 | 177.2 | -172.8 | 0 | 0 | 0 | 0 | 111.1 | I99 E100 S104 C111 | I99-C102 HydrophobicContact CB-CB 3.75Å; I99-C102 HydrophobicContact CG2-CB 3.94Å; I99-C102 WeakPolarHBondContact O-CB 3.49Å; E100-C102 PolarHBondContact O-N 3.01Å; C102-S104 VanDerWaalsContact SG-C 3.5Å; C102-S104 PolarHBondContact SG-O 3.33Å; C102-C111 VanDerWaalsContact CA-SG 3.57Å; C102-C111 HydrophobicContact CB-CB 4.02Å; C102-C111 WeakPolarHBondContact CB-SG 2.98Å; C102-C111 VanDerWaalsContact SG-CA 3.6Å; C102-C111 WeakPolarHBondContact SG-CB 3.42Å; C102-C111 CovalentContact SG-SG 2.04Å; C102-C111 PolarHBondContact SG-SG 2.93Å |
| 103 | E | 92.7 | Very high | 92.9 | Very high | 63 Ų | 63 | 73 Ų | 73 | 29% | 0.294 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | -46.5 | 176.1 | -172.7 | -169.8 | 154.7 | 0 | 0 | 110.9 | G82 K113 | G82-E103 PolarHBondContact N-O 2.83Å; E103-K113 WeakPolarHBondContact CB-O 3.39Å; E103-K113 PolarHBondContact N-O 2.74Å; E103-K113 IonicContact OE1-NZ 2.65Å; E103-K113 PolarHBondContact OE1-NZ 3.15Å; E103-K113 VanDerWaalsContact OE2-CD 3.27Å; E103-K113 WeakPolarHBondContact OE2-CD 3.43Å; E103-K113 WeakPolarHBondContact OE2-CE 2.99Å; E103-K113 IonicContact OE2-NZ 2.88Å; E103-K113 PolarHBondContact OE2-NZ 3.39Å |
| 104 | S | 92.1 | Very high | 92.8 | Very high | 32 Ų | 32 | 69.7 Ų | 69.7 | 22% | 0.224 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 133.5 | 174.8 | 71.5 | 0 | 0 | 0 | 0 | 110.6 | C102 C111 T112 K113 | C102-S104 VanDerWaalsContact SG-C 3.5Å; C102-S104 PolarHBondContact SG-O 3.33Å; S104-C111 PolarHBondContact O-SG 3.09Å; S104-T112 VanDerWaalsContact C-OG1 3.3Å; S104-T112 PolarHBondContact O-N 2.96Å; S104-T112 PolarHBondContact O-OG1 2.9Å; S104-T112 PolarHBondContact OG-OG1 2.86Å; S104-K113 PolarHBondContact N-O 2.98Å; S104-K113 VanDerWaalsContact N-O 3.14Å; S104-K113 PolarHBondContact O-N 3.47Å; S104-K113 VanDerWaalsContact O-N 3.08Å; S104-K113 WeakPolarHBondContact OG-CB 3.41Å; S104-K113 PolarHBondContact OG-N 2.78Å |
| 105 | C | 94.4 | Very high | 92.7 | Very high | 10 Ų | 10 | 74.4 Ų | 74.4 | 7% | 0.068 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 146 | 176.5 | 70.4 | 0 | 0 | 0 | 0 | 110.7 | F84 C97 I99 F110 | F84-C105 WeakPolarHBondContact CB-O 3.44Å; F84-C105 WeakPolarHBondContact CD1-SG 3.24Å; C97-C105 WeakPolarHBondContact CA-SG 3.39Å; C97-C105 HydrophobicContact CB-CB 3.95Å; C97-C105 WeakPolarHBondContact CB-SG 3.39Å; C97-C105 WeakPolarHBondContact SG-CB 3.35Å; C97-C105 PolarHBondContact SG-N 2.87Å; C97-C105 VanDerWaalsContact SG-N 3.45Å; C97-C105 CovalentContact SG-SG 2.03Å; C97-C105 PolarHBondContact SG-SG 2.85Å; I99-C105 HydrophobicContact CD1-CB 3.99Å; C105-F110 CarbonylContact C-O 3.59Å; C105-F110 WeakPolarHBondContact CA-O 3.43Å; C105-F110 WeakPolarHBondContact CB-O 3.41Å |
| 106 | F | 93.1 | Very high | 92.5 | Very high | 151 Ų | 151 | 80.6 Ų | 80.6 | 66% | 0.662 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.6 | -36.6 | 172.5 | 175.9 | -102 | 0 | 0 | 0 | 111.2 | F84 F110 T112 | F84-F106 WeakPolarHBondContact CD2-O 3.47Å; F106-F110 HydrophobicContact CB-CD1 4.03Å; F106-F110 PolarHBondContact N-O 3.06Å; F106-T112 HydrophobicContact CB-CG2 3.71Å |
| 107 | S | 92.1 | Very high | 92.2 | Very high | 38 Ų | 38 | 76.6 Ų | 76.6 | 27% | 0.266 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 179.4 | 178.8 | 77.4 | 0 | 0 | 0 | 0 | 110.7 | N109 F110 | S107-N109 PolarHBondContact O-N 3.06Å; S107-N109 VanDerWaalsContact O-N 3.11Å; S107-N109 PolarHBondContact OG-N 2.96Å; S107-F110 PolarHBondContact N-O 3.16Å; S107-F110 PolarHBondContact O-N 3.14Å; S107-F110 VanDerWaalsContact OG-CB 3.24Å; S107-F110 WeakPolarHBondContact OG-CB 3.04Å; S107-F110 PolarHBondContact OG-N 3.03Å; S107-F110 VanDerWaalsContact OG-N 3.16Å |
| 108 | R | 90.1 | Very high | 92.1 | Very high | 144 Ų | 144 | 76.7 Ų | 76.7 | 54% | 0.543 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -28.3 | 176.8 | -169 | -179.9 | -66.5 | 163.7 | 1.3 | 113.4 | F84 I99 | F84-R108 HydrophobicContact CE1-CB 4.4Å; F84-R108 HydrophobicContact CZ-CB 3.99Å; I99-R108 WeakPolarHBondContact CG1-O 3.04Å |
| 109 | N | 91.1 | Very high | 92 | Very high | 106 Ų | 106 | 73 Ų | 73 | 57% | 0.567 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.6 | -1.2 | -173.7 | -62.7 | -25.5 | 0 | 0 | 0 | 113.5 | S107 | S107-N109 PolarHBondContact O-N 3.06Å; S107-N109 VanDerWaalsContact O-N 3.11Å; S107-N109 PolarHBondContact OG-N 2.96Å |
| 110 | F | 94.3 | Very high | 91.9 | Very high | 96 Ų | 96 | 72.9 Ų | 72.9 | 42% | 0.421 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 108 | -175.2 | -163.1 | -81.9 | 0 | 0 | 0 | 110.6 | I99 C105 F106 S107 T112 | I99-F110 VanDerWaalsContact CD1-C 3.43Å; C105-F110 CarbonylContact C-O 3.59Å; C105-F110 WeakPolarHBondContact CA-O 3.43Å; C105-F110 WeakPolarHBondContact CB-O 3.41Å; F106-F110 HydrophobicContact CB-CD1 4.03Å; F106-F110 PolarHBondContact N-O 3.06Å; S107-F110 PolarHBondContact N-O 3.16Å; S107-F110 PolarHBondContact O-N 3.14Å; S107-F110 VanDerWaalsContact OG-CB 3.24Å; S107-F110 WeakPolarHBondContact OG-CB 3.04Å; S107-F110 PolarHBondContact OG-N 3.03Å; S107-F110 VanDerWaalsContact OG-N 3.16Å; F110-T112 HydrophobicContact CD1-CG2 4.31Å; F110-T112 HydrophobicContact CE1-CG2 4.28Å |
| 111 | C | 93.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 137.1 | 172.3 | -165.1 | 0 | 0 | 0 | 0 | 110 | I99 C102 S104 K113 L120 G123 | I99-C111 HydrophobicContact CD1-CB 3.89Å; I99-C111 VanDerWaalsContact CD1-N 3.3Å; I99-C111 HydrophobicContact CG2-CB 4.3Å; C102-C111 VanDerWaalsContact CA-SG 3.57Å; C102-C111 HydrophobicContact CB-CB 4.02Å; C102-C111 WeakPolarHBondContact CB-SG 2.98Å; C102-C111 VanDerWaalsContact SG-CA 3.6Å; C102-C111 WeakPolarHBondContact SG-CB 3.42Å; C102-C111 CovalentContact SG-SG 2.04Å; C102-C111 PolarHBondContact SG-SG 2.93Å; S104-C111 PolarHBondContact O-SG 3.09Å; C111-K113 VanDerWaalsContact SG-C 3.55Å; C111-K113 PolarHBondContact SG-O 3.04Å; C111-L120 HydrophobicContact CB-CD1 3.99Å; C111-L120 WeakPolarHBondContact O-CD1 3.15Å; C111-G123 VanDerWaalsContact CB-O 3.24Å; C111-G123 WeakPolarHBondContact CB-O 3.35Å; C111-G123 PolarHBondContact N-O 3.14Å |
| 112 | T | 92.6 | Very high | 91.8 | Very high | 66 Ų | 66 | 69.9 Ų | 69.9 | 41% | 0.405 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | -30.2 | 174.9 | 41.4 | 0 | 0 | 0 | 0 | 112 | S104 F106 F110 | S104-T112 VanDerWaalsContact C-OG1 3.3Å; S104-T112 PolarHBondContact O-N 2.96Å; S104-T112 PolarHBondContact O-OG1 2.9Å; S104-T112 PolarHBondContact OG-OG1 2.86Å; F106-T112 HydrophobicContact CB-CG2 3.71Å; F110-T112 HydrophobicContact CD1-CG2 4.31Å; F110-T112 HydrophobicContact CE1-CG2 4.28Å |
| 113 | K | 91.3 | Very high | 91.6 | Very high | 108 Ų | 108 | 69.3 Ų | 69.3 | 47% | 0.47 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 121.8 | 177.5 | -166.3 | -176.9 | 174.6 | -148.9 | 0 | 109.9 | E103 S104 C111 | E103-K113 WeakPolarHBondContact CB-O 3.39Å; E103-K113 PolarHBondContact N-O 2.74Å; E103-K113 IonicContact OE1-NZ 2.65Å; E103-K113 PolarHBondContact OE1-NZ 3.15Å; E103-K113 VanDerWaalsContact OE2-CD 3.27Å; E103-K113 WeakPolarHBondContact OE2-CD 3.43Å; E103-K113 WeakPolarHBondContact OE2-CE 2.99Å; E103-K113 IonicContact OE2-NZ 2.88Å; E103-K113 PolarHBondContact OE2-NZ 3.39Å; S104-K113 PolarHBondContact N-O 2.98Å; S104-K113 VanDerWaalsContact N-O 3.14Å; S104-K113 PolarHBondContact O-N 3.47Å; S104-K113 VanDerWaalsContact O-N 3.08Å; S104-K113 WeakPolarHBondContact OG-CB 3.41Å; S104-K113 PolarHBondContact OG-N 2.78Å; C111-K113 VanDerWaalsContact SG-C 3.55Å; C111-K113 PolarHBondContact SG-O 3.04Å |
| 114 | C | 92.9 | Very high | 91.6 | Very high | 10 Ų | 10 | 72.5 Ų | 72.5 | 7% | 0.068 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 159.8 | 173.7 | -64.1 | 0 | 0 | 0 | 0 | 111 | L118 L120 C125 | C114-L118 HydrophobicContact CB-CB 4.06Å; C114-L120 VanDerWaalsContact SG-CD1 3.59Å; C114-C125 WeakPolarHBondContact CA-SG 3.47Å; C114-C125 HydrophobicContact CB-CB 3.75Å; C114-C125 WeakPolarHBondContact CB-SG 3.46Å; C114-C125 WeakPolarHBondContact SG-CA 3.08Å; C114-C125 WeakPolarHBondContact SG-CB 3.42Å; C114-C125 CovalentContact SG-SG 2.02Å; C114-C125 PolarHBondContact SG-SG 2.79Å |
| 115 | K | 92.2 | Very high | 91.7 | Very high | 109 Ų | 109 | 71.8 Ų | 71.8 | 47% | 0.474 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 158.3 | 167.4 | -66.6 | -180 | -177.5 | 179.8 | 0 | 110.3 | N101 G117 L118 | N101-K115 WeakPolarHBondContact O-CG 3.04Å; N101-K115 PolarHBondContact O-N 3.4Å; K115-G117 PolarHBondContact O-N 3.05Å; K115-L118 HydrophobicContact CB-CD1 3.84Å; K115-L118 WeakPolarHBondContact O-CD1 3.27Å; K115-L118 PolarHBondContact O-N 2.83Å |
| 116 | E | 90.2 | Very high | 91.5 | Very high | 177 Ų | 177 | 75.5 Ų | 75.5 | 83% | 0.827 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 136.4 | -179 | -62.6 | 178.1 | 177.6 | 0 | 0 | 112 | L118 | E116-L118 VanDerWaalsContact C-N 3.34Š|
| 117 | G | 87.6 | Confident | 91.4 | Very high | 54 Ų | 54 | 73.5 Ų | 73.5 | 56% | 0.557 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.5 | 6.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | K115 | K115-G117 PolarHBondContact O-N 3.05Š|
| 118 | L | 91.6 | Very high | 91.2 | Very high | 20 Ų | 20 | 76.7 Ų | 76.7 | 11% | 0.105 | 38% | 0.375 | C | S | . | . | trans | -112.7 | 151 | 172 | -64.5 | 104.6 | 0 | 0 | 0 | 112 | N101 C114 K115 E116 C125 Y126 V127 | N101-L118 HydrophobicContact CB-CD1 4Å; N101-L118 HydrophobicContact CB-CD2 3.53Å; N101-L118 HydrophobicContact CB-CG 4.41Å; C114-L118 HydrophobicContact CB-CB 4.06Å; K115-L118 HydrophobicContact CB-CD1 3.84Å; K115-L118 WeakPolarHBondContact O-CD1 3.27Å; K115-L118 PolarHBondContact O-N 2.83Å; E116-L118 VanDerWaalsContact C-N 3.34Å; L118-C125 HydrophobicContact CB-CB 4.33Å; L118-C125 HydrophobicContact CD2-CB 4.19Å; L118-Y126 CarbonylContact C-O 3.6Å; L118-Y126 WeakPolarHBondContact CA-O 3.24Å; L118-V127 HydrophobicContact CD2-CG2 4.37Å | ||
| 119 | Y | 90.4 | Very high | 91.1 | Very high | 80 Ų | 80 | 70.8 Ų | 70.8 | 31% | 0.314 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 132.1 | 177.2 | -57.1 | -81.3 | 0 | 0 | 0 | 111.6 | C125 Y126 V127 A135 C142 | Y119-C125 WeakPolarHBondContact O-CA 3.42Å; Y119-Y126 PolarHBondContact N-O 2.88Å; Y119-Y126 PolarHBondContact O-N 3.4Å; Y119-V127 VanDerWaalsContact CD2-O 3.29Å; Y119-V127 WeakPolarHBondContact CD2-O 3.25Å; Y119-V127 VanDerWaalsContact CE2-O 3.28Å; Y119-V127 WeakPolarHBondContact CE2-O 3.26Å; Y119-A135 HydrophobicContact CD1-CB 3.46Å; Y119-A135 VanDerWaalsContact CD1-CB 3.46Å; Y119-A135 HydrophobicContact CE1-CB 3.23Å; Y119-A135 HydrophobicContact CG-CB 4.47Å; Y119-C142 WeakPolarHBondContact CB-SG 3.49Å |
| 120 | L | 91.6 | Very high | 90.9 | Very high | 25 Ų | 25 | 67.9 Ų | 67.9 | 13% | 0.131 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 124.1 | 174.4 | -177.7 | 67.7 | 0 | 0 | 0 | 110.4 | C111 C114 M140 E141 C142 | C111-L120 HydrophobicContact CB-CD1 3.99Å; C111-L120 WeakPolarHBondContact O-CD1 3.15Å; C114-L120 VanDerWaalsContact SG-CD1 3.59Å; L120-M140 PolarHBondContact N-O 3.08Å; L120-E141 HydrophobicContact CB-CG 4.44Å; L120-C142 PolarHBondContact O-N 2.04Å |
| 121 | H | 90.7 | Very high | 90.2 | Very high | 18 Ų | 18 | 72.6 Ų | 72.6 | 8% | 0.083 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 119.3 | 173.5 | -179.1 | -107.9 | 0 | 0 | 0 | 110.6 | G123 R124 Y126 Y133 C142 | H121-G123 PolarHBondContact O-N 2.02Å; H121-G123 VanDerWaalsContact O-N 3.15Å; H121-R124 PolarHBondContact N-O 3.14Å; H121-R124 PolarHBondContact O-N 2.82Å; H121-Y126 HydrophobicContact CB-CD2 3.85Å; H121-Y126 HydrophobicContact CB-CE2 3.87Å; H121-Y133 AromaticContact CD2-CD1 3.65Å; H121-Y133 AromaticContact CD2-CE1 3.92Å; H121-Y133 AromaticContact CD2-CG 3.91Å; H121-Y133 AromaticContact CE1-CE2 3.95Å; H121-Y133 AromaticContact NE2-CD1 3.4Å; H121-Y133 WeakPolarHBondContact NE2-CD1 3.46Å; H121-Y133 AromaticContact NE2-CD2 3.61Å; H121-Y133 AromaticContact NE2-CE1 3.28Å; H121-Y133 VanDerWaalsContact NE2-CE1 3.28Å; H121-Y133 WeakPolarHBondContact NE2-CE1 3.33Å; H121-Y133 AromaticContact NE2-CE2 3.46Å; H121-Y133 WeakPolarHBondContact NE2-CE2 3.42Å; H121-Y133 AromaticContact NE2-CG 3.6Å; H121-Y133 AromaticContact NE2-CZ 3.3Å; H121-Y133 VanDerWaalsContact NE2-CZ 3.3Å; H121-C142 HydrophobicContact CB-CB 3.69Å |
| 122 | K | 89.3 | Confident | 89.3 | Confident | 146 Ų | 146 | 74.9 Ų | 74.9 | 64% | 0.635 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 41.8 | 178.4 | -62.1 | -179.4 | -175.1 | 174 | 0 | 113.3 | Y133 | K122-Y133 WeakPolarHBondContact CE-OH 3.02Å; K122-Y133 PolarHBondContact NZ-OH 3.3Å |
| 123 | G | 90.1 | Very high | 88.6 | Confident | 2 Ų | 2 | 75.2 Ų | 75.2 | 2% | 0.021 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | 12.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | C111 H121 | C111-G123 VanDerWaalsContact CB-O 3.24Å; C111-G123 WeakPolarHBondContact CB-O 3.35Å; C111-G123 PolarHBondContact N-O 3.14Å; H121-G123 PolarHBondContact O-N 2.02Å; H121-G123 VanDerWaalsContact O-N 3.15Å |
| 124 | R | 92.7 | Very high | 88.1 | Confident | 130 Ų | 130 | 71.9 Ų | 71.9 | 49% | 0.491 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 155.2 | 172.9 | -69.5 | -170.1 | 175.1 | 95.4 | -2.8 | 111.2 | H121 Y126 | H121-R124 PolarHBondContact N-O 3.14Å; H121-R124 PolarHBondContact O-N 2.82Å; R124-Y126 HydrophobicContact CB-CD2 4.49Å; R124-Y126 HydrophobicContact CB-CE2 3.63Å |
| 125 | C | 93.1 | Very high | 87.5 | Confident | 17 Ų | 17 | 72.7 Ų | 72.7 | 12% | 0.115 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 130.7 | -176.9 | -57.4 | 0 | 0 | 0 | 0 | 110.6 | N101 C114 L118 Y119 | N101-C125 HydrophobicContact CB-CB 4.26Å; N101-C125 PolarHBondContact O-SG 3.01Å; C114-C125 WeakPolarHBondContact CA-SG 3.47Å; C114-C125 HydrophobicContact CB-CB 3.75Å; C114-C125 WeakPolarHBondContact CB-SG 3.46Å; C114-C125 WeakPolarHBondContact SG-CA 3.08Å; C114-C125 WeakPolarHBondContact SG-CB 3.42Å; C114-C125 CovalentContact SG-SG 2.02Å; C114-C125 PolarHBondContact SG-SG 2.79Å; L118-C125 HydrophobicContact CB-CB 4.33Å; L118-C125 HydrophobicContact CD2-CB 4.19Å; Y119-C125 WeakPolarHBondContact O-CA 3.42Å |
| 126 | Y | 91.4 | Very high | 86.3 | Confident | 89 Ų | 89 | 69.3 Ų | 69.3 | 35% | 0.349 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 150.6 | -179.5 | -59.7 | -87.6 | 0 | 0 | 0 | 110.6 | L118 Y119 H121 R124 T128 | L118-Y126 CarbonylContact C-O 3.6Å; L118-Y126 WeakPolarHBondContact CA-O 3.24Å; Y119-Y126 PolarHBondContact N-O 2.88Å; Y119-Y126 PolarHBondContact O-N 3.4Å; H121-Y126 HydrophobicContact CB-CD2 3.85Å; H121-Y126 HydrophobicContact CB-CE2 3.87Å; R124-Y126 HydrophobicContact CB-CD2 4.49Å; R124-Y126 HydrophobicContact CB-CE2 3.63Å; Y126-T128 VanDerWaalsContact C-N 3.3Å; Y126-T128 WeakPolarHBondContact CB-O 3.13Å |
| 127 | V | 89.9 | Confident | 85.1 | Confident | 109 Ų | 109 | 67.7 Ų | 67.7 | 66% | 0.661 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -71.4 | -30.3 | 175.2 | -179 | 0 | 0 | 0 | 0 | 111.2 | L118 Y119 | L118-V127 HydrophobicContact CD2-CG2 4.37Å; Y119-V127 VanDerWaalsContact CD2-O 3.29Å; Y119-V127 WeakPolarHBondContact CD2-O 3.25Å; Y119-V127 VanDerWaalsContact CE2-O 3.28Å; Y119-V127 WeakPolarHBondContact CE2-O 3.26Å |
| 128 | T | 87.9 | Confident | 84.1 | Confident | 105 Ų | 105 | 69.3 Ų | 69.3 | 64% | 0.644 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -140.9 | 146.8 | 176 | -49.9 | 0 | 0 | 0 | 0 | 108.6 | Y126 | Y126-T128 VanDerWaalsContact C-N 3.3Å; Y126-T128 WeakPolarHBondContact CB-O 3.13Å |
| 129 | C | 87.9 | Confident | 83.2 | Confident | 20 Ų | 20 | 71.5 Ų | 71.5 | 14% | 0.135 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 139.1 | 178.3 | -68.2 | 0 | 0 | 0 | 0 | 111.5 | Y133 C142 | C129-Y133 WeakPolarHBondContact CB-O 3.43Å; C129-C142 WeakPolarHBondContact CA-SG 3.44Å; C129-C142 HydrophobicContact CB-CB 3.88Å; C129-C142 WeakPolarHBondContact CB-SG 3.2Å; C129-C142 WeakPolarHBondContact SG-CA 3.45Å; C129-C142 WeakPolarHBondContact SG-CB 3.4Å; C129-C142 CovalentContact SG-SG 2.04Å; C129-C142 PolarHBondContact SG-SG 3.5Å |
| 130 | P | 87.3 | Confident | 82.9 | Confident | 44 Ų | 44 | 72.6 Ų | 72.6 | 29% | 0.286 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 164.8 | 177.2 | 26.5 | -32.8 | 0 | 0 | 0 | 111.9 | G132 Y133 | P130-G132 PolarHBondContact O-N 2.79Å; P130-Y133 HydrophobicContact CG-CD2 4.19Å; P130-Y133 WeakPolarHBondContact O-CB 3.46Å; P130-Y133 PolarHBondContact O-N 3.4Å |
| 131 | E | 80.4 | Confident | 82.5 | Confident | 195 Ų | 195 | 76.6 Ų | 76.6 | 91% | 0.911 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 133.9 | -177 | -64.3 | -170.8 | 170.9 | 0 | 0 | 112.6 | Y133 | E131-Y133 VanDerWaalsContact C-N 3.33Š|
| 132 | G | 73.6 | Confident | 82.3 | Confident | 49 Ų | 49 | 76.3 Ų | 76.3 | 51% | 0.505 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 22.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | P130 P145 | P130-G132 PolarHBondContact O-N 2.79Å; G132-P145 WeakPolarHBondContact O-CD 3.4Å |
| 133 | Y | 79 | Confident | 81.8 | Confident | 72 Ų | 72 | 72.1 Ų | 72.1 | 28% | 0.282 | 42% | 0.418 | S | S | . | . | trans | -137.5 | 145.7 | 168.5 | -66.3 | -96 | 0 | 0 | 0 | 109.8 | H121 K122 C129 P130 E131 S143 | H121-Y133 AromaticContact CD2-CD1 3.65Å; H121-Y133 AromaticContact CD2-CE1 3.92Å; H121-Y133 AromaticContact CD2-CG 3.91Å; H121-Y133 AromaticContact CE1-CE2 3.95Å; H121-Y133 AromaticContact NE2-CD1 3.4Å; H121-Y133 WeakPolarHBondContact NE2-CD1 3.46Å; H121-Y133 AromaticContact NE2-CD2 3.61Å; H121-Y133 AromaticContact NE2-CE1 3.28Å; H121-Y133 VanDerWaalsContact NE2-CE1 3.28Å; H121-Y133 WeakPolarHBondContact NE2-CE1 3.33Å; H121-Y133 AromaticContact NE2-CE2 3.46Å; H121-Y133 WeakPolarHBondContact NE2-CE2 3.42Å; H121-Y133 AromaticContact NE2-CG 3.6Å; H121-Y133 AromaticContact NE2-CZ 3.3Å; H121-Y133 VanDerWaalsContact NE2-CZ 3.3Å; K122-Y133 WeakPolarHBondContact CE-OH 3.02Å; K122-Y133 PolarHBondContact NZ-OH 3.3Å; C129-Y133 WeakPolarHBondContact CB-O 3.43Å; P130-Y133 HydrophobicContact CG-CD2 4.19Å; P130-Y133 WeakPolarHBondContact O-CB 3.46Å; P130-Y133 PolarHBondContact O-N 3.4Å; E131-Y133 VanDerWaalsContact C-N 3.33Å; Y133-S143 CarbonylContact C-O 3.58Å; Y133-S143 VanDerWaalsContact CA-O 3.3Å; Y133-S143 WeakPolarHBondContact CA-O 3.42Å; Y133-S143 VanDerWaalsContact CD1-C 3.43Å | ||
| 134 | S | 79.6 | Confident | 80.7 | Confident | 39 Ų | 39 | 74.4 Ų | 74.4 | 27% | 0.273 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 143.8 | 175.4 | 55.7 | 0 | 0 | 0 | 0 | 109.6 | S143 | S134-S143 PolarHBondContact N-O 3.16Å; S134-S143 PolarHBondContact O-N 3.42Å; S134-S143 VanDerWaalsContact O-O 3.13Å |
| 135 | A | 80.3 | Confident | 79.1 | Confident | 27 Ų | 27 | 70.8 Ų | 70.8 | 22% | 0.223 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 132.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y119 | Y119-A135 HydrophobicContact CD1-CB 3.46Å; Y119-A135 VanDerWaalsContact CD1-CB 3.46Å; Y119-A135 HydrophobicContact CE1-CB 3.23Å; Y119-A135 HydrophobicContact CG-CB 4.47Å |
| 136 | A | 68.6 | Low | 77.3 | Confident | 37 Ų | 37 | 73.8 Ų | 73.8 | 31% | 0.306 | 45% | 0.454 | S | S | . | . | trans | -72.9 | 144.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | G138 T139 | A136-G138 PolarHBondContact O-N 3.11Å; A136-T139 PolarHBondContact O-N 3.41Å; A136-T139 PolarHBondContact O-OG1 3.36Å | ||
| 137 | N | 64.3 | Low | 75.7 | Confident | 144 Ų | 144 | 75 Ų | 75 | 77% | 0.77 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 115.4 | -179.9 | -73 | -22.7 | 0 | 0 | 0 | 109.9 | ||
| 138 | G | 66.6 | Low | 74.7 | Confident | 88 Ų | 88 | 71 Ų | 71 | 91% | 0.907 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.6 | -4.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | A136 | A136-G138 PolarHBondContact O-N 3.11Š|
| 139 | T | 72.9 | Confident | 73.9 | Confident | 66 Ų | 66 | 71.2 Ų | 71.2 | 41% | 0.405 | 43% | 0.432 | S | S | . | . | trans | -115.4 | 137.5 | 174.8 | 65.8 | 0 | 0 | 0 | 0 | 112.2 | A136 E141 | A136-T139 PolarHBondContact O-N 3.41Å; A136-T139 PolarHBondContact O-OG1 3.36Å; T139-E141 PolarHBondContact O-N 3.03Å; T139-E141 VanDerWaalsContact O-N 3.14Å | ||
| 140 | M | 82.8 | Confident | 73.6 | Confident | 102 Ų | 102 | 72.8 Ų | 72.8 | 50% | 0.502 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -84.3 | 37.7 | 173.8 | -70.8 | -177.1 | 164.1 | 0 | 0 | 111.6 | L120 | L120-M140 PolarHBondContact N-O 3.08Š|
| 141 | E | 85.1 | Confident | 73.6 | Confident | 109 Ų | 109 | 71.8 Ų | 71.8 | 51% | 0.509 | 43% | 0.432 | S | S | . | . | B | Isolated β-bridge | trans | -129.4 | 133.6 | -176.8 | -65.2 | -172.9 | 175.7 | 0 | 0 | 110.6 | L120 T139 | L120-E141 HydrophobicContact CB-CG 4.44Å; T139-E141 PolarHBondContact O-N 3.03Å; T139-E141 VanDerWaalsContact O-N 3.14Å |
| 142 | C | 85.5 | Confident | 74.1 | Confident | 13 Ų | 13 | 71.1 Ų | 71.1 | 9% | 0.088 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 118.2 | 176.7 | -64 | 0 | 0 | 0 | 0 | 110.5 | Y119 L120 H121 C129 | Y119-C142 WeakPolarHBondContact CB-SG 3.49Å; L120-C142 PolarHBondContact O-N 2.04Å; H121-C142 HydrophobicContact CB-CB 3.69Å; C129-C142 WeakPolarHBondContact CA-SG 3.44Å; C129-C142 HydrophobicContact CB-CB 3.88Å; C129-C142 WeakPolarHBondContact CB-SG 3.2Å; C129-C142 WeakPolarHBondContact SG-CA 3.45Å; C129-C142 WeakPolarHBondContact SG-CB 3.4Å; C129-C142 CovalentContact SG-SG 2.04Å; C129-C142 PolarHBondContact SG-SG 3.5Å |
| 143 | S | 78.2 | Confident | 75 | Confident | 57 Ų | 57 | 72.1 Ų | 72.1 | 40% | 0.399 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 146.3 | 175.7 | -70.3 | 0 | 0 | 0 | 0 | 110.3 | Y133 S134 | Y133-S143 CarbonylContact C-O 3.58Å; Y133-S143 VanDerWaalsContact CA-O 3.3Å; Y133-S143 WeakPolarHBondContact CA-O 3.42Å; Y133-S143 VanDerWaalsContact CD1-C 3.43Å; S134-S143 PolarHBondContact N-O 3.16Å; S134-S143 PolarHBondContact O-N 3.42Å; S134-S143 VanDerWaalsContact O-O 3.13Å |
| 144 | S | 67.7 | Low | 75.6 | Confident | 50 Ų | 50 | 69.9 Ų | 69.9 | 35% | 0.35 | 42% | 0.417 | S | S | . | . | trans | -66.3 | 139.8 | 176.8 | 53.4 | 0 | 0 | 0 | 0 | 109.2 | A146 | S144-A146 PolarHBondContact O-N 3.35Š| ||
| 145 | P | 59.8 | Low | 76.2 | Confident | 54 Ų | 54 | 74 Ų | 74 | 35% | 0.351 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -68.3 | 4.5 | 173.4 | 30.9 | -31.3 | 0 | 0 | 0 | 112.2 | G132 Q147 | G132-P145 WeakPolarHBondContact O-CD 3.4Å; P145-Q147 PolarHBondContact O-N 2.03Å |
| 146 | A | 55 | Low | 76.8 | Confident | 81 Ų | 81 | 75.7 Ų | 75.7 | 67% | 0.669 | 44% | 0.443 | S | S | * | . | trans | -71.1 | 58 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S144 | S144-A146 PolarHBondContact O-N 3.35Š| ||
| 147 | Q | 57.5 | Low | 77.8 | Confident | 115 Ų | 115 | 75 Ų | 75 | 54% | 0.537 | 44% | 0.44 | S | S | . | . | trans | -141.7 | 32 | 163.4 | -65.6 | -168.7 | -8.7 | 0 | 0 | 111.2 | P145 E149 Q181 P183 | P145-Q147 PolarHBondContact O-N 2.03Å; Q147-E149 PolarHBondContact O-N 3.45Å; Q147-Q181 CarbonylContact O-C 3.54Å; Q147-P183 HydrophobicContact CB-CG 4.47Å | ||
| 148 | C | 67.8 | Low | 79.1 | Confident | 23 Ų | 23 | 72.5 Ų | 72.5 | 16% | 0.155 | 43% | 0.431 | C | S | . | . | trans | -75.1 | 80.5 | 152.7 | -65.5 | 0 | 0 | 0 | 0 | 107.5 | M150 Q181 P183 C190 | C148-M150 PolarHBondContact O-N 2.92Å; C148-M150 VanDerWaalsContact O-N 3.16Å; C148-Q181 CarbonylContact C-O 3.57Å; C148-Q181 WeakPolarHBondContact CA-O 3.42Å; C148-P183 WeakPolarHBondContact SG-CD 3.26Å; C148-C190 HydrophobicContact CB-CB 3.68Å; C148-C190 WeakPolarHBondContact CB-SG 3.4Å; C148-C190 WeakPolarHBondContact SG-CA 3.38Å; C148-C190 WeakPolarHBondContact SG-CB 2.99Å; C148-C190 CovalentContact SG-SG 2.03Å; C148-C190 PolarHBondContact SG-SG 2.74Å | ||
| 149 | E | 72.5 | Confident | 80.3 | Confident | 110 Ų | 110 | 69 Ų | 69 | 51% | 0.514 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 114.1 | 169.4 | -167.3 | 179.9 | -179.8 | 0 | 0 | 106.5 | Q147 L180 Q181 | Q147-E149 PolarHBondContact O-N 3.45Å; E149-L180 HydrophobicContact CB-CB 4.38Å; E149-L180 HydrophobicContact CG-CB 4.36Å; E149-L180 HydrophobicContact CG-CD1 4.34Å; E149-L180 WeakPolarHBondContact O-CA 3.05Å; E149-L180 WeakPolarHBondContact O-CB 3.04Å; E149-L180 PolarHBondContact O-N 2.83Å; E149-Q181 HydrophobicContact CB-CB 3.82Å; E149-Q181 PolarHBondContact N-O 3.08Å; E149-Q181 PolarHBondContact O-N 2.86Å; E149-Q181 VanDerWaalsContact O-N 3.09Å |
| 150 | M | 82.1 | Confident | 81.2 | Confident | 54 Ų | 54 | 67.5 Ų | 67.5 | 27% | 0.266 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 148.9 | -178.1 | -66.9 | -169.5 | -69.3 | 0 | 0 | 109.7 | C148 R177 P191 | C148-M150 PolarHBondContact O-N 2.92Å; C148-M150 VanDerWaalsContact O-N 3.16Å; M150-R177 PolarHBondContact SD-NE 2.04Å; M150-R177 PolarHBondContact SD-NH2 2.81Å; M150-R177 VanDerWaalsContact SD-NH2 3.44Å; M150-P191 HydrophobicContact CE-CB 3.85Å; M150-P191 HydrophobicContact CE-CG 3.65Å; M150-P191 HydrophobicContact SD-CB 3.76Å; M150-P191 HydrophobicContact SD-CG 3.84Å |
| 151 | S | 87.3 | Confident | 81.6 | Confident | 22 Ų | 22 | 67.8 Ų | 67.8 | 15% | 0.154 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 162.4 | 171 | 76.3 | 0 | 0 | 0 | 0 | 110.9 | R178 | S151-R178 PolarHBondContact N-O 2.8Å; S151-R178 WeakPolarHBondContact OG-CG 3.38Å; S151-R178 PolarHBondContact OG-N 3.22Å; S151-R178 PolarHBondContact OG-O 3.05Å |
| 152 | E | 90.3 | Very high | 81.6 | Confident | 182 Ų | 182 | 71.8 Ų | 71.8 | 85% | 0.85 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -54.2 | 150.3 | 159.3 | -65.5 | -172.2 | 169.3 | 0 | 0 | 110.4 | ||
| 153 | W | 91.9 | Very high | 81.4 | Confident | 69 Ų | 69 | 82.8 Ų | 82.8 | 26% | 0.261 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 136.4 | 175 | -76.6 | 106.1 | 0 | 0 | 0 | 110.4 | R175 R177 E195 | W153-R175 HydrophobicContact CD2-CG 4.2Å; W153-R175 HydrophobicContact CE3-CB 4.37Å; W153-R175 HydrophobicContact CE3-CG 3.56Å; W153-R175 VanDerWaalsContact CG-CZ 3.44Å; W153-R175 HydrophobicContact CZ3-CG 3.9Å; W153-R177 HydrophobicContact CD2-CB 4Å; W153-R177 HydrophobicContact CD2-CG 4.09Å; W153-R177 HydrophobicContact CE3-CB 3.63Å; W153-R177 HydrophobicContact CE3-CG 3.73Å; W153-R177 HydrophobicContact CH2-CG 3.8Å; W153-R177 HydrophobicContact CZ2-CG 4.15Å; W153-R177 HydrophobicContact CZ3-CB 3.97Å; W153-R177 HydrophobicContact CZ3-CG 3.58Å; W153-E195 HydrophobicContact CH2-CB 3.62Å; W153-E195 HydrophobicContact CZ2-CB 4.21Å; W153-E195 WeakPolarHBondContact CZ2-OE2 3.39Å; W153-E195 HydrophobicContact CZ3-CB 3.91Å |
| 154 | G | 91.1 | Very high | 81.7 | Confident | 26 Ų | 26 | 84.9 Ų | 84.9 | 27% | 0.268 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 162.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | T176 | G154-T176 PolarHBondContact N-O 2.89Š|
| 155 | P | 92.5 | Very high | 82.6 | Confident | 124 Ų | 124 | 87.9 Ų | 87.9 | 81% | 0.805 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 151.8 | 172.6 | 27.8 | -34.7 | 0 | 0 | 0 | 110.4 | G157 | P155-G157 PolarHBondContact O-N 2.84Š|
| 156 | W | 92.6 | Very high | 83.7 | Confident | 64 Ų | 64 | 87.2 Ų | 87.2 | 24% | 0.242 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 131.4 | 172.6 | -70.8 | 101.1 | 0 | 0 | 0 | 110.2 | E173 R175 E195 R197 | W156-E173 HydrophobicContact CD2-CG 4.18Å; W156-E173 HydrophobicContact CE3-CB 4.24Å; W156-E173 HydrophobicContact CE3-CG 3.65Å; W156-E173 HydrophobicContact CZ3-CG 4.23Å; W156-E173 WeakPolarHBondContact CZ3-O 3.49Å; W156-R175 HydrophobicContact CD2-CB 4.07Å; W156-R175 HydrophobicContact CD2-CG 4.08Å; W156-R175 HydrophobicContact CE3-CB 3.75Å; W156-R175 HydrophobicContact CE3-CG 3.76Å; W156-R175 HydrophobicContact CH2-CG 3.67Å; W156-R175 VanDerWaalsContact CZ2-CD 3.44Å; W156-R175 HydrophobicContact CZ2-CG 3.99Å; W156-R175 VanDerWaalsContact CZ2-NE 3.3Å; W156-R175 HydrophobicContact CZ3-CB 4.03Å; W156-R175 HydrophobicContact CZ3-CG 3.56Å; W156-E195 HydrophobicContact CH2-CB 4.24Å; W156-E195 HydrophobicContact CH2-CG 3.91Å; W156-R197 HydrophobicContact CE3-CB 4.27Å; W156-R197 HydrophobicContact CH2-CB 3.45Å; W156-R197 VanDerWaalsContact CH2-CB 3.45Å; W156-R197 HydrophobicContact CH2-CG 4.47Å; W156-R197 HydrophobicContact CZ2-CB 4.04Å; W156-R197 HydrophobicContact CZ3-CB 3.57Å |
| 157 | G | 91.2 | Very high | 85.1 | Confident | 22 Ų | 22 | 85.2 Ų | 85.2 | 23% | 0.227 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 169.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | P155 C159 E173 D174 | P155-G157 PolarHBondContact O-N 2.84Å; G157-C159 PolarHBondContact O-N 3.28Å; G157-E173 WeakPolarHBondContact O-CB 3.44Å; G157-D174 PolarHBondContact N-O 2.83Å |
| 158 | P | 90.2 | Very high | 86.5 | Confident | 91 Ų | 91 | 80.4 Ų | 80.4 | 59% | 0.591 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 137.7 | 179.4 | 29.9 | -35.4 | 0 | 0 | 0 | 110.6 | S160 L165 | P158-S160 PolarHBondContact O-N 2.83Å; P158-L165 HydrophobicContact CB-CD2 3.85Å; P158-L165 HydrophobicContact CG-CD2 3.76Å |
| 159 | C | 92.1 | Very high | 87.4 | Confident | 16 Ų | 16 | 86.2 Ų | 86.2 | 11% | 0.108 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -54.3 | 126.2 | 173.9 | -170 | 0 | 0 | 0 | 0 | 110 | G157 F168 C199 V201 | G157-C159 PolarHBondContact O-N 3.28Å; C159-F168 VanDerWaalsContact O-CZ 3.26Å; C159-F168 WeakPolarHBondContact O-CZ 3.45Å; C159-C199 WeakPolarHBondContact CA-SG 2.97Å; C159-C199 HydrophobicContact CB-CB 3.79Å; C159-C199 WeakPolarHBondContact CB-SG 3.25Å; C159-C199 WeakPolarHBondContact SG-CB 3.44Å; C159-C199 CovalentContact SG-SG 2.01Å; C159-C199 PolarHBondContact SG-SG 2.99Å; C159-V201 HydrophobicContact CB-CG1 3.62Å |
| 160 | S | 91.6 | Very high | 88.3 | Confident | 34 Ų | 34 | 88.1 Ų | 88.1 | 24% | 0.238 | 44% | 0.442 | C | S | . | . | B | Isolated β-bridge | trans | -137.5 | 154.6 | -176.8 | 77.7 | 0 | 0 | 0 | 0 | 112.5 | P158 K164 G171 N172 | P158-S160 PolarHBondContact O-N 2.83Å; S160-K164 CarbonylContact C-O 3.54Å; S160-K164 VanDerWaalsContact CA-O 3.24Å; S160-K164 WeakPolarHBondContact CA-O 3.36Å; S160-K164 WeakPolarHBondContact CB-O 3.41Å; S160-G171 CarbonylContact O-C 3.59Å; S160-G171 WeakPolarHBondContact O-CA 3.03Å; S160-N172 PolarHBondContact N-O 2.81Å; S160-N172 PolarHBondContact O-N 2.91Å |
| 161 | K | 90.9 | Very high | 88.8 | Confident | 107 Ų | 107 | 85.9 Ų | 85.9 | 47% | 0.465 | 43% | 0.433 | S | S | . | . | B | Isolated β-bridge | trans | -135.2 | 120 | 172.8 | -170 | -176.4 | -169.6 | 170.2 | 0 | 110 | R163 K164 F168 K170 | K161-R163 VanDerWaalsContact C-N 3.26Å; K161-R163 PolarHBondContact O-N 2.85Å; K161-K164 PolarHBondContact N-O 3.29Å; K161-K164 WeakPolarHBondContact O-CB 3.45Å; K161-K164 PolarHBondContact O-N 3.09Å; K161-F168 HydrophobicContact CB-CB 3.99Å; K161-F168 HydrophobicContact CB-CD1 3.64Å; K161-F168 HydrophobicContact CB-CD2 3.83Å; K161-F168 HydrophobicContact CB-CE1 4.13Å; K161-F168 HydrophobicContact CB-CE2 4.28Å; K161-F168 HydrophobicContact CB-CG 3.51Å; K161-F168 HydrophobicContact CB-CZ 4.44Å; K161-F168 HydrophobicContact CD-CB 3.68Å; K161-F168 HydrophobicContact CD-CG 4.17Å; K161-F168 HydrophobicContact CG-CB 4.48Å; K161-F168 HydrophobicContact CG-CG 4.48Å; K161-K170 WeakPolarHBondContact CD-O 3.4Å |
| 162 | K | 85.2 | Confident | 89.2 | Confident | 193 Ų | 193 | 88.6 Ų | 88.6 | 84% | 0.839 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 46 | -176.2 | -60.5 | -175.5 | 175.7 | -172.4 | 0 | 112 | K164 | K162-K164 PolarHBondContact O-N 3.36Š|
| 163 | R | 82.8 | Confident | 89.3 | Confident | 245 Ų | 245 | 81 Ų | 81 | 93% | 0.925 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | 14.7 | -176 | -54.7 | -174 | -180 | -137.3 | 1.2 | 115.9 | K161 | K161-R163 VanDerWaalsContact C-N 3.26Å; K161-R163 PolarHBondContact O-N 2.85Å |
| 164 | K | 84.1 | Confident | 89.4 | Confident | 100 Ų | 100 | 82 Ų | 82 | 44% | 0.435 | 42% | 0.421 | S | S | . | . | B | Isolated β-bridge | trans | -99.7 | 145.1 | 171.2 | -60.1 | -174.2 | 177.6 | -172.3 | 0 | 109.7 | S160 K161 K162 F168 | S160-K164 CarbonylContact C-O 3.54Å; S160-K164 VanDerWaalsContact CA-O 3.24Å; S160-K164 WeakPolarHBondContact CA-O 3.36Å; S160-K164 WeakPolarHBondContact CB-O 3.41Å; K161-K164 PolarHBondContact N-O 3.29Å; K161-K164 WeakPolarHBondContact O-CB 3.45Å; K161-K164 PolarHBondContact O-N 3.09Å; K162-K164 PolarHBondContact O-N 3.36Å; K164-F168 WeakPolarHBondContact O-CE1 3.4Å |
| 165 | L | 85.4 | Confident | 89.6 | Confident | 114 Ų | 114 | 83.3 Ų | 83.3 | 60% | 0.597 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -101.9 | -7.6 | 177.6 | -63.8 | 175.8 | 0 | 0 | 0 | 113.5 | P158 | P158-L165 HydrophobicContact CB-CD2 3.85Å; P158-L165 HydrophobicContact CG-CD2 3.76Å |
| 166 | C | 83.8 | Confident | 89.6 | Confident | 39 Ų | 39 | 81.4 Ų | 81.4 | 26% | 0.264 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -136.7 | 166.6 | -178.8 | 54.2 | 0 | 0 | 0 | 0 | 110.8 | F168 C206 | C166-F168 WeakPolarHBondContact O-CD1 3.36Å; C166-C206 HydrophobicContact CB-CB 4.07Å; C166-C206 WeakPolarHBondContact CB-SG 3.41Å; C166-C206 PolarHBondContact O-SG 2.98Å; C166-C206 WeakPolarHBondContact SG-CA 3.48Å; C166-C206 WeakPolarHBondContact SG-CB 3.46Å; C166-C206 CovalentContact SG-SG 2.02Å; C166-C206 PolarHBondContact SG-SG 2.92Å |
| 167 | G | 83.9 | Confident | 89.6 | Confident | 40 Ų | 40 | 80.7 Ų | 80.7 | 41% | 0.412 | 40% | 0.401 | S | S | . | . | S | Bend | trans | 80.3 | 11.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | N204 | G167-N204 WeakPolarHBondContact CA-O 3.2Å; G167-N204 PolarHBondContact N-O 2.78Å |
| 168 | F | 87.2 | Confident | 89.5 | Confident | 14 Ų | 14 | 88.1 Ų | 88.1 | 6% | 0.061 | 42% | 0.422 | C | S | . | . | trans | -132.3 | 160.2 | 175.4 | 59.6 | -86.9 | 0 | 0 | 0 | 112 | C159 K161 K164 C166 K170 V201 | C159-F168 VanDerWaalsContact O-CZ 3.26Å; C159-F168 WeakPolarHBondContact O-CZ 3.45Å; K161-F168 HydrophobicContact CB-CB 3.99Å; K161-F168 HydrophobicContact CB-CD1 3.64Å; K161-F168 HydrophobicContact CB-CD2 3.83Å; K161-F168 HydrophobicContact CB-CE1 4.13Å; K161-F168 HydrophobicContact CB-CE2 4.28Å; K161-F168 HydrophobicContact CB-CG 3.51Å; K161-F168 HydrophobicContact CB-CZ 4.44Å; K161-F168 HydrophobicContact CD-CB 3.68Å; K161-F168 HydrophobicContact CD-CG 4.17Å; K161-F168 HydrophobicContact CG-CB 4.48Å; K161-F168 HydrophobicContact CG-CG 4.48Å; K164-F168 WeakPolarHBondContact O-CE1 3.4Å; C166-F168 WeakPolarHBondContact O-CD1 3.36Å; F168-K170 WeakPolarHBondContact CD2-O 3.42Å; F168-V201 HydrophobicContact CD2-CG2 3.79Å; F168-V201 HydrophobicContact CE2-CG2 3.43Å; F168-V201 VanDerWaalsContact CE2-CG2 3.43Å; F168-V201 HydrophobicContact CZ-CG2 4.08Å; F168-V201 WeakPolarHBondContact O-CG2 3.34Å | ||
| 169 | K | 87.3 | Confident | 89.3 | Confident | 145 Ų | 145 | 85.7 Ų | 85.7 | 63% | 0.63 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -103.8 | -25.8 | 176.7 | -172.7 | 173.3 | -178.2 | 175.2 | 0 | 113.5 | T200 V201 | K169-T200 VanDerWaalsContact O-CA 3.27Å; K169-T200 WeakPolarHBondContact O-CA 2.96Å; K169-V201 WeakPolarHBondContact CA-O 3.39Å; K169-V201 PolarHBondContact O-N 2.99Å |
| 170 | K | 91.1 | Very high | 88.7 | Confident | 149 Ų | 149 | 89.1 Ų | 89.1 | 65% | 0.648 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 128.6 | 179.4 | -59.4 | -172.5 | 176.1 | -178.4 | 0 | 108.6 | K161 F168 C199 T200 | K161-K170 WeakPolarHBondContact CD-O 3.4Å; F168-K170 WeakPolarHBondContact CD2-O 3.42Å; K170-C199 WeakPolarHBondContact CA-O 2.98Å; K170-T200 HydrophobicContact CG-CG2 4.23Å |
| 171 | G | 92.7 | Very high | 87.8 | Confident | 7 Ų | 7 | 92.4 Ų | 92.4 | 7% | 0.072 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | -170.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | S160 C199 | S160-G171 CarbonylContact O-C 3.59Å; S160-G171 WeakPolarHBondContact O-CA 3.03Å; G171-C199 PolarHBondContact N-O 3.27Å; G171-C199 PolarHBondContact O-N 2.86Å; G171-C199 PolarHBondContact O-SG 2.9Å; G171-C199 VanDerWaalsContact O-SG 3.35Å |
| 172 | N | 94.8 | Very high | 86.5 | Confident | 79 Ų | 79 | 88.5 Ų | 88.5 | 42% | 0.422 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 147.4 | 170 | -65.7 | -11.9 | 0 | 0 | 0 | 109.1 | S160 V196 R197 C199 | S160-N172 PolarHBondContact N-O 2.81Å; S160-N172 PolarHBondContact O-N 2.91Å; N172-V196 HydrophobicContact CB-CG1 3.76Å; N172-R197 CarbonylContact C-O 3.56Å; N172-R197 VanDerWaalsContact CA-O 3.25Å; N172-R197 WeakPolarHBondContact CA-O 3Å; N172-C199 VanDerWaalsContact CA-SG 3.59Å; N172-C199 PolarHBondContact N-SG 2.86Å |
| 173 | E | 93.6 | Very high | 85.5 | Confident | 24 Ų | 24 | 80.1 Ų | 80.1 | 11% | 0.112 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 142.7 | 169.4 | 57.1 | -169.6 | 175.4 | 0 | 0 | 107.8 | W156 G157 V196 R197 C199 | W156-E173 HydrophobicContact CD2-CG 4.18Å; W156-E173 HydrophobicContact CE3-CB 4.24Å; W156-E173 HydrophobicContact CE3-CG 3.65Å; W156-E173 HydrophobicContact CZ3-CG 4.23Å; W156-E173 WeakPolarHBondContact CZ3-O 3.49Å; G157-E173 WeakPolarHBondContact O-CB 3.44Å; E173-V196 WeakPolarHBondContact O-CA 3.24Å; E173-R197 HydrophobicContact CG-CB 4.06Å; E173-R197 PolarHBondContact N-O 2.87Å; E173-R197 PolarHBondContact O-N 2.93Å; E173-R197 IonicContact OE1-CZ 3.73Å; E173-R197 IonicContact OE1-NE 3.06Å; E173-R197 PolarHBondContact OE1-NE 2.92Å; E173-R197 IonicContact OE1-NH2 3.78Å; E173-R197 PolarHBondContact OE1-NH2 2.92Å; E173-C199 HydrophobicContact CG-CB 4.13Å |
| 174 | D | 93.9 | Very high | 84.4 | Confident | 88 Ų | 88 | 71.6 Ų | 71.6 | 47% | 0.471 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 146.3 | -179.1 | 56.4 | -50.4 | 0 | 0 | 0 | 110.1 | G157 E195 V196 | G157-D174 PolarHBondContact N-O 2.83Å; D174-E195 CarbonylContact C-O 3.53Å; D174-E195 VanDerWaalsContact CA-O 3.3Å; D174-E195 WeakPolarHBondContact CA-O 3.43Å; D174-V196 HydrophobicContact CB-CG2 4.44Å |
| 175 | R | 94.8 | Very high | 83.2 | Confident | 55 Ų | 55 | 69.9 Ų | 69.9 | 21% | 0.208 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 154.6 | 168.8 | 67 | 175.2 | -177.4 | 177.9 | -2 | 109.7 | W153 W156 T194 E195 | W153-R175 HydrophobicContact CD2-CG 4.2Å; W153-R175 HydrophobicContact CE3-CB 4.37Å; W153-R175 HydrophobicContact CE3-CG 3.56Å; W153-R175 VanDerWaalsContact CG-CZ 3.44Å; W153-R175 HydrophobicContact CZ3-CG 3.9Å; W156-R175 HydrophobicContact CD2-CB 4.07Å; W156-R175 HydrophobicContact CD2-CG 4.08Å; W156-R175 HydrophobicContact CE3-CB 3.75Å; W156-R175 HydrophobicContact CE3-CG 3.76Å; W156-R175 HydrophobicContact CH2-CG 3.67Å; W156-R175 VanDerWaalsContact CZ2-CD 3.44Å; W156-R175 HydrophobicContact CZ2-CG 3.99Å; W156-R175 VanDerWaalsContact CZ2-NE 3.3Å; W156-R175 HydrophobicContact CZ3-CB 4.03Å; W156-R175 HydrophobicContact CZ3-CG 3.56Å; R175-T194 WeakPolarHBondContact O-CA 3.45Å; R175-E195 HydrophobicContact CG-CB 3.96Å; R175-E195 IonicContact CZ-OE2 2.63Å; R175-E195 PolarHBondContact N-O 2.97Å; R175-E195 IonicContact NE-OE2 2.79Å; R175-E195 PolarHBondContact NE-OE2 3.19Å; R175-E195 IonicContact NH2-OE1 3.09Å; R175-E195 IonicContact NH2-OE2 2.78Å; R175-E195 PolarHBondContact NH2-OE2 2.7Å; R175-E195 PolarHBondContact O-N 2.03Å |
| 176 | T | 93.2 | Very high | 82 | Confident | 84 Ų | 84 | 68 Ų | 68 | 52% | 0.515 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 146 | -179.2 | 61.6 | 0 | 0 | 0 | 0 | 110.9 | G154 T193 T194 | G154-T176 PolarHBondContact N-O 2.89Å; T176-T193 CarbonylContact C-O 3.55Å; T176-T193 WeakPolarHBondContact CA-O 3.5Å; T176-T194 HydrophobicContact CG2-CG2 3.98Å |
| 177 | R | 92.2 | Very high | 81.3 | Confident | 49 Ų | 49 | 70.3 Ų | 70.3 | 19% | 0.185 | 38% | 0.377 | C | S | . | . | trans | -130.3 | 159.1 | 166.3 | 66 | 179.7 | 171.4 | -170.6 | -2.3 | 108.8 | M150 W153 A192 T193 | M150-R177 PolarHBondContact SD-NE 2.04Å; M150-R177 PolarHBondContact SD-NH2 2.81Å; M150-R177 VanDerWaalsContact SD-NH2 3.44Å; W153-R177 HydrophobicContact CD2-CB 4Å; W153-R177 HydrophobicContact CD2-CG 4.09Å; W153-R177 HydrophobicContact CE3-CB 3.63Å; W153-R177 HydrophobicContact CE3-CG 3.73Å; W153-R177 HydrophobicContact CH2-CG 3.8Å; W153-R177 HydrophobicContact CZ2-CG 4.15Å; W153-R177 HydrophobicContact CZ3-CB 3.97Å; W153-R177 HydrophobicContact CZ3-CG 3.58Å; R177-A192 PolarHBondContact NE-O 3.5Å; R177-A192 PolarHBondContact NH2-O 2.02Å; R177-T193 PolarHBondContact N-O 3.07Å; R177-T193 VanDerWaalsContact O-CB 3.29Å; R177-T193 WeakPolarHBondContact O-CB 3.44Å | ||
| 178 | R | 88.9 | Confident | 80.4 | Confident | 177 Ų | 177 | 72.9 Ų | 72.9 | 67% | 0.668 | 39% | 0.389 | S | S | * | . | trans | -107.3 | 153.6 | 175.6 | 60.6 | -178.2 | -179 | -139.5 | 0.3 | 110.6 | S151 L180 | S151-R178 PolarHBondContact N-O 2.8Å; S151-R178 WeakPolarHBondContact OG-CG 3.38Å; S151-R178 PolarHBondContact OG-N 3.22Å; S151-R178 PolarHBondContact OG-O 3.05Å; R178-L180 HydrophobicContact CG-CD2 4.06Å | ||
| 179 | I | 85.9 | Confident | 79.4 | Confident | 40 Ų | 40 | 77.3 Ų | 77.3 | 21% | 0.205 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 119.7 | 168.6 | -64.4 | 156.5 | 0 | 0 | 0 | 106.1 | Q181 A182 V187 C190 T193 | I179-Q181 VanDerWaalsContact CG2-O 3.29Å; I179-Q181 WeakPolarHBondContact CG2-O 3.45Å; I179-A182 HydrophobicContact CG2-CB 3.98Å; I179-V187 HydrophobicContact CD1-CG1 3.43Å; I179-V187 VanDerWaalsContact CD1-CG1 3.43Å; I179-C190 HydrophobicContact CD1-CB 3.45Å; I179-C190 VanDerWaalsContact CD1-CB 3.45Å; I179-C190 HydrophobicContact CG1-CB 3.98Å; I179-T193 HydrophobicContact CD1-CG2 3.72Å; I179-T193 HydrophobicContact CG1-CG2 3.9Å |
| 180 | L | 79.6 | Confident | 78.8 | Confident | 89 Ų | 89 | 71.2 Ų | 71.2 | 47% | 0.466 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | -42.9 | 178.1 | -61.6 | 175.9 | 0 | 0 | 0 | 110.3 | E149 R178 | E149-L180 HydrophobicContact CB-CB 4.38Å; E149-L180 HydrophobicContact CG-CB 4.36Å; E149-L180 HydrophobicContact CG-CD1 4.34Å; E149-L180 WeakPolarHBondContact O-CA 3.05Å; E149-L180 WeakPolarHBondContact O-CB 3.04Å; E149-L180 PolarHBondContact O-N 2.83Å; R178-L180 HydrophobicContact CG-CD2 4.06Å |
| 181 | Q | 72.3 | Confident | 78.3 | Confident | 102 Ų | 102 | 67.1 Ų | 67.1 | 48% | 0.477 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 133.8 | 175.8 | -166 | 166.4 | 13.6 | 0 | 0 | 109 | Q147 C148 E149 I179 | Q147-Q181 CarbonylContact O-C 3.54Å; C148-Q181 CarbonylContact C-O 3.57Å; C148-Q181 WeakPolarHBondContact CA-O 3.42Å; E149-Q181 HydrophobicContact CB-CB 3.82Å; E149-Q181 PolarHBondContact N-O 3.08Å; E149-Q181 PolarHBondContact O-N 2.86Å; E149-Q181 VanDerWaalsContact O-N 3.09Å; I179-Q181 VanDerWaalsContact CG2-O 3.29Å; I179-Q181 WeakPolarHBondContact CG2-O 3.45Å |
| 182 | A | 64.6 | Low | 77.8 | Confident | 26 Ų | 26 | 70 Ų | 70 | 22% | 0.215 | 40% | 0.4 | C | S | . | . | trans | -117.2 | 137.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | I179 S184 | I179-A182 HydrophobicContact CG2-CB 3.98Å; A182-S184 PolarHBondContact O-N 2.03Å | ||
| 183 | P | 62.5 | Low | 77.5 | Confident | 17 Ų | 17 | 68.9 Ų | 68.9 | 11% | 0.11 | 40% | 0.396 | C | S | . | . | G | 310 helix | trans | -61.1 | 129.5 | 174.3 | -16 | 27.8 | 0 | 0 | 0 | 110 | Q147 C148 G185 D186 | Q147-P183 HydrophobicContact CB-CG 4.47Å; C148-P183 WeakPolarHBondContact SG-CD 3.26Å; P183-G185 PolarHBondContact O-N 2.86Å; P183-D186 PolarHBondContact O-N 2.82Å; P183-D186 VanDerWaalsContact O-N 3.08Å |
| 184 | S | 59.8 | Low | 77.4 | Confident | 66 Ų | 66 | 72 Ų | 72 | 46% | 0.462 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | 57.9 | 14.7 | 173.1 | -53.1 | 0 | 0 | 0 | 0 | 115.7 | A182 D186 | A182-S184 PolarHBondContact O-N 2.03Å; S184-D186 VanDerWaalsContact C-N 3.26Å; S184-D186 PolarHBondContact O-N 2.85Å |
| 185 | G | 59 | Low | 77.4 | Confident | 63 Ų | 63 | 71.1 Ų | 71.1 | 65% | 0.649 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | 78.2 | 2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | P183 V187 | P183-G185 PolarHBondContact O-N 2.86Å; G185-V187 PolarHBondContact O-N 2.82Å |
| 186 | D | 61.8 | Low | 77.3 | Confident | 74 Ų | 74 | 73 Ų | 73 | 40% | 0.396 | 43% | 0.427 | S | S | . | . | trans | -92.1 | 100.4 | -179.5 | -163.4 | -16.6 | 0 | 0 | 0 | 111.2 | P183 S184 S188 L189 | P183-D186 PolarHBondContact O-N 2.82Å; P183-D186 VanDerWaalsContact O-N 3.08Å; S184-D186 VanDerWaalsContact C-N 3.26Å; S184-D186 PolarHBondContact O-N 2.85Å; D186-S188 VanDerWaalsContact CG-OG 3.3Å; D186-S188 PolarHBondContact O-N 3.2Å; D186-S188 WeakPolarHBondContact OD1-CB 3.43Å; D186-S188 PolarHBondContact OD1-N 3.06Å; D186-S188 PolarHBondContact OD1-OG 3.29Å; D186-S188 PolarHBondContact OD2-OG 3.29Å; D186-L189 HydrophobicContact CB-CD1 4.22Å; D186-L189 HydrophobicContact CB-CG 4.44Å | ||
| 187 | V | 67.4 | Low | 77.4 | Confident | 88 Ų | 88 | 74.7 Ų | 74.7 | 53% | 0.533 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -68.3 | -20.5 | -178.2 | -172.1 | 0 | 0 | 0 | 0 | 111.8 | I179 G185 L189 C190 | I179-V187 HydrophobicContact CD1-CG1 3.43Å; I179-V187 VanDerWaalsContact CD1-CG1 3.43Å; G185-V187 PolarHBondContact O-N 2.82Å; V187-L189 VanDerWaalsContact C-N 3.28Å; V187-L189 PolarHBondContact O-N 2.8Å; V187-C190 WeakPolarHBondContact O-CB 3.4Å; V187-C190 PolarHBondContact O-N 3.05Å |
| 188 | S | 66.1 | Low | 77.5 | Confident | 95 Ų | 95 | 83 Ų | 83 | 66% | 0.664 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -71.9 | -21.6 | -176.2 | 71.3 | 0 | 0 | 0 | 0 | 113.7 | D186 C190 | D186-S188 VanDerWaalsContact CG-OG 3.3Å; D186-S188 PolarHBondContact O-N 3.2Å; D186-S188 WeakPolarHBondContact OD1-CB 3.43Å; D186-S188 PolarHBondContact OD1-N 3.06Å; D186-S188 PolarHBondContact OD1-OG 3.29Å; D186-S188 PolarHBondContact OD2-OG 3.29Å; S188-C190 PolarHBondContact O-N 3.23Å |
| 189 | L | 66.9 | Low | 77.6 | Confident | 106 Ų | 106 | 75.3 Ų | 75.3 | 56% | 0.555 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -81.2 | -6.5 | 177.2 | -60.5 | 176.5 | 0 | 0 | 0 | 112.6 | D186 V187 | D186-L189 HydrophobicContact CB-CD1 4.22Å; D186-L189 HydrophobicContact CB-CG 4.44Å; V187-L189 VanDerWaalsContact C-N 3.28Å; V187-L189 PolarHBondContact O-N 2.8Å |
| 190 | C | 74.7 | Confident | 77.8 | Confident | 17 Ų | 17 | 78.8 Ų | 78.8 | 12% | 0.115 | 45% | 0.452 | C | S | . | . | S | Bend | trans | -90.6 | 153.3 | -178.5 | -65.1 | 0 | 0 | 0 | 0 | 113.4 | C148 I179 V187 S188 | C148-C190 HydrophobicContact CB-CB 3.68Å; C148-C190 WeakPolarHBondContact CB-SG 3.4Å; C148-C190 WeakPolarHBondContact SG-CA 3.38Å; C148-C190 WeakPolarHBondContact SG-CB 2.99Å; C148-C190 CovalentContact SG-SG 2.03Å; C148-C190 PolarHBondContact SG-SG 2.74Å; I179-C190 HydrophobicContact CD1-CB 3.45Å; I179-C190 VanDerWaalsContact CD1-CB 3.45Å; I179-C190 HydrophobicContact CG1-CB 3.98Å; V187-C190 WeakPolarHBondContact O-CB 3.4Å; V187-C190 PolarHBondContact O-N 3.05Å; S188-C190 PolarHBondContact O-N 3.23Å |
| 191 | P | 79.3 | Confident | 78.3 | Confident | 64 Ų | 64 | 77 Ų | 77 | 42% | 0.416 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 157.7 | 175.4 | -20.8 | 33 | 0 | 0 | 0 | 112.6 | M150 T193 | M150-P191 HydrophobicContact CE-CB 3.85Å; M150-P191 HydrophobicContact CE-CG 3.65Å; M150-P191 HydrophobicContact SD-CB 3.76Å; M150-P191 HydrophobicContact SD-CG 3.84Å; P191-T193 PolarHBondContact O-N 3.22Å |
| 192 | A | 81.8 | Confident | 78.8 | Confident | 67 Ų | 67 | 79.5 Ų | 79.5 | 55% | 0.554 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -53.5 | 137.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | R177 | R177-A192 PolarHBondContact NE-O 3.5Å; R177-A192 PolarHBondContact NH2-O 2.02Å |
| 193 | T | 89.2 | Confident | 79.4 | Confident | 56 Ų | 56 | 85.7 Ų | 85.7 | 34% | 0.344 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -87.5 | -12.8 | 179.1 | 50.6 | 0 | 0 | 0 | 0 | 113.1 | T176 R177 I179 P191 | T176-T193 CarbonylContact C-O 3.55Å; T176-T193 WeakPolarHBondContact CA-O 3.5Å; R177-T193 PolarHBondContact N-O 3.07Å; R177-T193 VanDerWaalsContact O-CB 3.29Å; R177-T193 WeakPolarHBondContact O-CB 3.44Å; I179-T193 HydrophobicContact CD1-CG2 3.72Å; I179-T193 HydrophobicContact CG1-CG2 3.9Å; P191-T193 PolarHBondContact O-N 3.22Å |
| 194 | T | 91.3 | Very high | 80 | Confident | 88 Ų | 88 | 90.1 Ų | 90.1 | 54% | 0.54 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 139.9 | 179.9 | 51.3 | 0 | 0 | 0 | 0 | 110.5 | R175 T176 | R175-T194 WeakPolarHBondContact O-CA 3.45Å; T176-T194 HydrophobicContact CG2-CG2 3.98Å |
| 195 | E | 94.5 | Very high | 80.7 | Confident | 71 Ų | 71 | 96.2 Ų | 96.2 | 33% | 0.332 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 138.4 | 175.2 | -170 | -178.2 | 172.2 | 0 | 0 | 110 | W153 W156 D174 R175 | W153-E195 HydrophobicContact CH2-CB 3.62Å; W153-E195 HydrophobicContact CZ2-CB 4.21Å; W153-E195 WeakPolarHBondContact CZ2-OE2 3.39Å; W153-E195 HydrophobicContact CZ3-CB 3.91Å; W156-E195 HydrophobicContact CH2-CB 4.24Å; W156-E195 HydrophobicContact CH2-CG 3.91Å; D174-E195 CarbonylContact C-O 3.53Å; D174-E195 VanDerWaalsContact CA-O 3.3Å; D174-E195 WeakPolarHBondContact CA-O 3.43Å; R175-E195 HydrophobicContact CG-CB 3.96Å; R175-E195 IonicContact CZ-OE2 2.63Å; R175-E195 PolarHBondContact N-O 2.97Å; R175-E195 IonicContact NE-OE2 2.79Å; R175-E195 PolarHBondContact NE-OE2 3.19Å; R175-E195 IonicContact NH2-OE1 3.09Å; R175-E195 IonicContact NH2-OE2 2.78Å; R175-E195 PolarHBondContact NH2-OE2 2.7Å; R175-E195 PolarHBondContact O-N 2.03Å |
| 196 | V | 93.3 | Very high | 81.5 | Confident | 93 Ų | 93 | 95.6 Ų | 95.6 | 56% | 0.564 | 51% | 0.507 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 124.3 | -179.3 | -177.4 | 0 | 0 | 0 | 0 | 109 | N172 E173 D174 | N172-V196 HydrophobicContact CB-CG1 3.76Å; E173-V196 WeakPolarHBondContact O-CA 3.24Å; D174-V196 HydrophobicContact CB-CG2 4.44Å |
| 197 | R | 94.4 | Very high | 82.1 | Confident | 121 Ų | 121 | 98 Ų | 98 | 46% | 0.457 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 146.1 | 176.6 | -169.6 | 172.9 | 75.5 | 179.6 | 1.7 | 110.5 | W156 N172 E173 | W156-R197 HydrophobicContact CE3-CB 4.27Å; W156-R197 HydrophobicContact CH2-CB 3.45Å; W156-R197 VanDerWaalsContact CH2-CB 3.45Å; W156-R197 HydrophobicContact CH2-CG 4.47Å; W156-R197 HydrophobicContact CZ2-CB 4.04Å; W156-R197 HydrophobicContact CZ3-CB 3.57Å; N172-R197 CarbonylContact C-O 3.56Å; N172-R197 VanDerWaalsContact CA-O 3.25Å; N172-R197 WeakPolarHBondContact CA-O 3Å; E173-R197 HydrophobicContact CG-CB 4.06Å; E173-R197 PolarHBondContact N-O 2.87Å; E173-R197 PolarHBondContact O-N 2.93Å; E173-R197 IonicContact OE1-CZ 3.73Å; E173-R197 IonicContact OE1-NE 3.06Å; E173-R197 PolarHBondContact OE1-NE 2.92Å; E173-R197 IonicContact OE1-NH2 3.78Å; E173-R197 PolarHBondContact OE1-NH2 2.92Å |
| 198 | R | 93.6 | Very high | 82.1 | Confident | 224 Ų | 224 | 102.8 Ų | 102.8 | 85% | 0.845 | 54% | 0.543 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 133.4 | 172.5 | -71.8 | -178.1 | -74.9 | -171.5 | -3.5 | 109.4 | ||
| 199 | C | 91.1 | Very high | 81.8 | Confident | 15 Ų | 15 | 101.4 Ų | 101.4 | 10% | 0.101 | 54% | 0.543 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 154.3 | -179.2 | 51.3 | 0 | 0 | 0 | 0 | 110.8 | C159 K170 G171 N172 E173 | C159-C199 WeakPolarHBondContact CA-SG 2.97Å; C159-C199 HydrophobicContact CB-CB 3.79Å; C159-C199 WeakPolarHBondContact CB-SG 3.25Å; C159-C199 WeakPolarHBondContact SG-CB 3.44Å; C159-C199 CovalentContact SG-SG 2.01Å; C159-C199 PolarHBondContact SG-SG 2.99Å; K170-C199 WeakPolarHBondContact CA-O 2.98Å; G171-C199 PolarHBondContact N-O 3.27Å; G171-C199 PolarHBondContact O-N 2.86Å; G171-C199 PolarHBondContact O-SG 2.9Å; G171-C199 VanDerWaalsContact O-SG 3.35Å; N172-C199 VanDerWaalsContact CA-SG 3.59Å; N172-C199 PolarHBondContact N-SG 2.86Å; E173-C199 HydrophobicContact CG-CB 4.13Å |
| 200 | T | 91.4 | Very high | 80.9 | Confident | 113 Ų | 113 | 106.3 Ų | 106.3 | 69% | 0.693 | 56% | 0.561 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -125.3 | 127 | 177.1 | 54.1 | 0 | 0 | 0 | 0 | 110 | K169 K170 | K169-T200 VanDerWaalsContact O-CA 3.27Å; K169-T200 WeakPolarHBondContact O-CA 2.96Å; K170-T200 HydrophobicContact CG-CG2 4.23Å |
| 201 | V | 88.8 | Confident | 79.7 | Confident | 50 Ų | 50 | 115.4 Ų | 115.4 | 30% | 0.303 | 59% | 0.592 | S | S | . | * | trans | -125.4 | 160.3 | -178.5 | -64.4 | 0 | 0 | 0 | 0 | 110.4 | C159 F168 K169 | C159-V201 HydrophobicContact CB-CG1 3.62Å; F168-V201 HydrophobicContact CD2-CG2 3.79Å; F168-V201 HydrophobicContact CE2-CG2 3.43Å; F168-V201 VanDerWaalsContact CE2-CG2 3.43Å; F168-V201 HydrophobicContact CZ-CG2 4.08Å; F168-V201 WeakPolarHBondContact O-CG2 3.34Å; K169-V201 WeakPolarHBondContact CA-O 3.39Å; K169-V201 PolarHBondContact O-N 2.99Å | ||
| 202 | Q | 82.8 | Confident | 78 | Confident | 156 Ų | 156 | 122 Ų | 122 | 73% | 0.729 | 62% | 0.615 | S | S | * | * | trans | -69.6 | 139.6 | 170.4 | -64.1 | -63.7 | 1.1 | 0 | 0 | 110 | N204 | Q202-N204 VanDerWaalsContact C-N 3.32Å; Q202-N204 PolarHBondContact O-N 2.65Å | ||
| 203 | K | 78.3 | Confident | 76.1 | Confident | 156 Ų | 156 | 127.6 Ų | 127.6 | 68% | 0.678 | 63% | 0.626 | S | S | * | * | trans | -76.7 | 86.2 | -177.5 | -172.6 | -170.9 | 175.9 | -170.6 | 0 | 109.1 | ||||
| 204 | N | 75.5 | Confident | 74 | Confident | 109 Ų | 109 | 134.7 Ų | 134.7 | 58% | 0.583 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -82 | 142.7 | 173.9 | -63.9 | -8.9 | 0 | 0 | 0 | 110.3 | G167 Q202 C206 | G167-N204 WeakPolarHBondContact CA-O 3.2Å; G167-N204 PolarHBondContact N-O 2.78Å; Q202-N204 VanDerWaalsContact C-N 3.32Å; Q202-N204 PolarHBondContact O-N 2.65Å; N204-C206 PolarHBondContact O-N 2.86Å |
| 205 | Q | 72.6 | Confident | 71.7 | Confident | 195 Ų | 195 | 139.7 Ų | 139.7 | 91% | 0.911 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 128.1 | 175.1 | -61.1 | -166.5 | 76.3 | 0 | 0 | 109 | ||
| 206 | C | 76.5 | Confident | 69.2 | Low | 49 Ų | 49 | 144.1 Ų | 144.1 | 33% | 0.331 | 69% | 0.69 | S | S | . | * | P | Polyproline II helix | trans | -71.9 | 139.5 | 175.1 | -68 | 0 | 0 | 0 | 0 | 109.6 | C166 N204 E208 | C166-C206 HydrophobicContact CB-CB 4.07Å; C166-C206 WeakPolarHBondContact CB-SG 3.41Å; C166-C206 PolarHBondContact O-SG 2.98Å; C166-C206 WeakPolarHBondContact SG-CA 3.48Å; C166-C206 WeakPolarHBondContact SG-CB 3.46Å; C166-C206 CovalentContact SG-SG 2.02Å; C166-C206 PolarHBondContact SG-SG 2.92Å; N204-C206 PolarHBondContact O-N 2.86Å; C206-E208 PolarHBondContact O-N 3.03Å; C206-E208 VanDerWaalsContact O-N 3.13Å |
| 207 | P | 74.7 | Confident | 66.9 | Low | 124 Ų | 124 | 149 Ų | 149 | 81% | 0.805 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -59 | 119.8 | 166.1 | 23.1 | -29.3 | 0 | 0 | 0 | 108.6 | G209 | P207-G209 PolarHBondContact O-N 2.87Š|
| 208 | E | 66.8 | Low | 64.5 | Low | 190 Ų | 190 | 146.3 Ų | 146.3 | 89% | 0.888 | 72% | 0.717 | S | S | * | * | trans | -69.5 | 94.8 | -175.5 | -69.1 | -158 | 139.6 | 0 | 0 | 111 | C206 K210 | C206-E208 PolarHBondContact O-N 3.03Å; C206-E208 VanDerWaalsContact O-N 3.13Å; E208-K210 PolarHBondContact O-N 3.05Å | ||
| 209 | G | 60.1 | Low | 62.2 | Low | 65 Ų | 65 | 145.6 Ų | 145.6 | 67% | 0.67 | 72% | 0.72 | S | S | * | * | trans | -70 | 102.4 | 157.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | P207 R211 | P207-G209 PolarHBondContact O-N 2.87Å; G209-R211 PolarHBondContact O-N 2.87Å; G209-R211 VanDerWaalsContact O-N 3.12Å | ||
| 210 | K | 49.1 | Very low | 60 | Low | 210 Ų | 210 | 153.5 Ų | 153.5 | 91% | 0.913 | 76% | 0.756 | S | S | * | * | trans | 4.9 | 88 | 169.4 | -66.2 | -175 | 179.2 | -179.5 | 0 | 115.2 | E208 K212 | E208-K210 PolarHBondContact O-N 3.05Å; K210-K212 PolarHBondContact O-N 3.03Å | ||
| 211 | R | 48.4 | Very low | 57.7 | Low | 208 Ų | 208 | 154.8 Ų | 154.8 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | -85.8 | 105.8 | 164.3 | -79 | -178.6 | 140.6 | -169.2 | -14.8 | 109.2 | G209 K213 | G209-R211 PolarHBondContact O-N 2.87Å; G209-R211 VanDerWaalsContact O-N 3.12Å; R211-K213 PolarHBondContact O-N 2.98Å | ||
| 212 | K | 44.8 | Very low | 55.8 | Low | 203 Ų | 203 | 160 Ų | 160 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | trans | -48.8 | 123.8 | 163.4 | -72.5 | -177.6 | 174.9 | -179.4 | 0 | 108.7 | K210 K214 | K210-K212 PolarHBondContact O-N 3.03Å; K212-K214 PolarHBondContact O-N 3.23Å; K212-K214 VanDerWaalsContact O-N 3.14Å | ||
| 213 | K | 41.5 | Very low | 54 | Low | 184 Ų | 184 | 161.2 Ų | 161.2 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | trans | -51.1 | 114.3 | 168.4 | -90 | -174.1 | 169.9 | -164.3 | 0 | 109.1 | R211 E216 | R211-K213 PolarHBondContact O-N 2.98Å; K213-E216 IonicContact NZ-OE2 2.69Å | ||
| 214 | K | 43.6 | Very low | 52.4 | Low | 204 Ų | 204 | 161.1 Ų | 161.1 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | trans | -149.4 | 61.9 | 160.4 | -127.8 | -170.6 | -173.6 | -171.4 | 0 | 108.8 | K212 | K212-K214 PolarHBondContact O-N 3.23Å; K212-K214 VanDerWaalsContact O-N 3.14Å | ||
| 215 | E | 44.7 | Very low | 50.9 | Low | 194 Ų | 194 | 159.3 Ų | 159.3 | 91% | 0.907 | 81% | 0.807 | S | S | * | * | trans | -158.2 | 43.7 | 168.9 | -119.7 | 171.5 | -163.4 | 0 | 0 | 111.1 | ||||
| 216 | E | 41.6 | Very low | 49.6 | Very low | 164 Ų | 164 | 157.6 Ų | 157.6 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -138.2 | 59.3 | 162.7 | -81.4 | -171.8 | 142.6 | 0 | 0 | 108.7 | K213 | K213-E216 IonicContact NZ-OE2 2.69Š|
| 217 | Q | 45.3 | Very low | 48 | Very low | 194 Ų | 194 | 166.6 Ų | 166.6 | 91% | 0.907 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -153.4 | 47.2 | 169.1 | -123 | 158.9 | 12.8 | 0 | 0 | 110.7 | ||
| 218 | G | 43.8 | Very low | 46.7 | Very low | 66 Ų | 66 | 168.2 Ų | 168.2 | 68% | 0.68 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -141.2 | 11.7 | 174 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 219 | K | 45.8 | Very low | 45.5 | Very low | 208 Ų | 208 | 170.8 Ų | 170.8 | 90% | 0.904 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -123.2 | 12.6 | -179.2 | -87.3 | -171.5 | 176.1 | -176.6 | 0 | 114.7 | ||
| 220 | Q | 44.9 | Very low | 44.3 | Very low | 182 Ų | 182 | 176.5 Ų | 176.5 | 85% | 0.85 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -118.1 | 1.5 | 177 | -132.7 | 163.7 | -2.9 | 0 | 0 | 114.6 | ||
| 221 | D | 41.7 | Very low | 43.6 | Very low | 139 Ų | 139 | 172.6 Ų | 172.6 | 74% | 0.743 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -98.3 | -3.5 | 174.5 | -63.5 | -35.5 | 0 | 0 | 0 | 113.7 | ||
| 222 | N | 49.2 | Very low | 43.1 | Very low | 161 Ų | 161 | 170 Ų | 170 | 86% | 0.861 | 84% | 0.837 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 19.1 | -176.7 | -134.3 | 4.1 | 0 | 0 | 0 | 114.2 | ||
| 223 | M | 44.3 | Very low | 42.4 | Very low | 180 Ų | 180 | 169 Ų | 169 | 89% | 0.887 | 83% | 0.832 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.8 | 12 | 175 | -144.1 | 178.3 | 102.4 | 0 | 0 | 113.6 | ||
| 224 | N | 45.5 | Very low | 41.9 | Very low | 155 Ų | 155 | 166.4 Ų | 166.4 | 83% | 0.829 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -126.8 | 8.1 | 179.1 | -140.5 | 15.6 | 0 | 0 | 0 | 115.1 | ||
| 225 | G | 44.7 | Very low | 41.4 | Very low | 71 Ų | 71 | 161.4 Ų | 161.4 | 73% | 0.732 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -100.7 | 1.2 | -178 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 226 | N | 44 | Very low | 40.8 | Very low | 158 Ų | 158 | 161.8 Ų | 161.8 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | trans | -116.7 | 34.2 | -169.5 | -147 | 21.1 | 0 | 0 | 0 | 114.8 | ||||
| 227 | R | 43.4 | Very low | 40.3 | Very low | 239 Ų | 239 | 159 Ų | 159 | 90% | 0.902 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -107.3 | -4 | 170.9 | -100 | -176.8 | 176.8 | 175.4 | -0.7 | 115.7 | ||
| 228 | N | 46.8 | Very low | 39.6 | Very low | 158 Ų | 158 | 152.9 Ų | 152.9 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -129.6 | 75.6 | 178.8 | -82.4 | -11.1 | 0 | 0 | 0 | 112.2 | ||
| 229 | R | 42.2 | Very low | 39.1 | Very low | 243 Ų | 243 | 155.2 Ų | 155.2 | 92% | 0.917 | 81% | 0.812 | S | S | * | * | trans | -165 | 62.5 | 146.7 | -131.6 | 171.4 | 175.8 | 164.1 | -2 | 111.4 | ||||
| 230 | K | 34.9 | Very low | 38.5 | Very low | 185 Ų | 185 | 154.1 Ų | 154.1 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -88.4 | 143.1 | 150.7 | -164.1 | 174.7 | 177.2 | -179.9 | 0 | 106.6 | ||||
| 231 | D | 35.4 | Very low | 37.8 | Very low | 129 Ų | 129 | 154.8 Ų | 154.8 | 69% | 0.69 | 81% | 0.807 | S | S | * | * | trans | 88.5 | 84.4 | 174.6 | -49.6 | -39.7 | 0 | 0 | 0 | 116.4 | ||||
| 232 | T | 36.8 | Very low | 37.2 | Very low | 152 Ų | 152 | 159.2 Ų | 159.2 | 93% | 0.933 | 81% | 0.813 | S | S | * | * | -163.7 | 137.9 | 103.8 | 16.3 | 0 | 0 | 0 | 0 | 111 | |||||
| 233 | K | 30.8 | Very low | 36.3 | Very low | 182 Ų | 182 | 161.3 Ų | 161.3 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | trans | -81.9 | 154 | -165.2 | -114.2 | 178.1 | 151.2 | -171.9 | 0 | 112.8 | ||||
| 234 | D | 30.7 | Very low | 35.6 | Very low | 130 Ų | 130 | 158.2 Ų | 158.2 | 70% | 0.695 | 81% | 0.811 | S | S | * | * | trans | 63.5 | 109.5 | 137.4 | -58.3 | -30.4 | 0 | 0 | 0 | 120.5 | ||||
| 235 | A | 33.2 | Very low | 35 | Very low | 99 Ų | 99 | 159 Ų | 159 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | -164.8 | 97 | 122.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 236 | K | 31.9 | Very low | 34.6 | Very low | 203 Ų | 203 | 163 Ų | 163 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | 62.9 | 116.5 | 128.2 | -123.6 | 175.4 | 178.2 | 175.4 | 0 | 121.9 | |||||
| 237 | S | 31.6 | Very low | 34.1 | Very low | 104 Ų | 104 | 167.3 Ų | 167.3 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | 69.4 | 109 | 127.7 | 176.5 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 238 | G | 30.5 | Very low | 33.5 | Very low | 66 Ų | 66 | 159.8 Ų | 159.8 | 68% | 0.68 | 81% | 0.807 | S | S | * | * | 83.2 | 124.9 | 74.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 239 | T | 33.8 | Very low | 32.9 | Very low | 116 Ų | 116 | 157 Ų | 157 | 71% | 0.712 | 81% | 0.807 | S | S | * | * | cis | -178.5 | 139.9 | 48.4 | -45.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 240 | K | 32 | Very low | 32.5 | Very low | 185 Ų | 185 | 151.7 Ų | 151.7 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | 61.6 | 121.2 | 146.5 | -73 | 172 | -163.8 | 171.9 | 0 | 124.5 | ||||
| 241 | K | 30 | Very low | 32.8 | Very low | 195 Ų | 195 | 148.5 Ų | 148.5 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | 49.5 | 132.2 | 128 | -74.7 | 177.1 | 173 | 174.8 | 0 | 117.9 | |||||
| 242 | R | 30.6 | Very low | 33.1 | Very low | 233 Ų | 233 | 147.7 Ų | 147.7 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | -176 | 130.8 | 54 | -139.9 | 175.3 | 173.2 | -175.8 | -3.6 | 111.4 | |||||
| 243 | K | 28.9 | Very low | 32.9 | Very low | 205 Ų | 205 | 146.3 Ų | 146.3 | 89% | 0.891 | 79% | 0.79 | S | S | * | * | trans | 29.3 | 123.7 | 138.6 | -161.9 | 172.1 | -175.1 | 175 | 0 | 122.2 | ||||
| 244 | S | 29.9 | Very low | 33.2 | Very low | 115 Ų | 115 | 143 Ų | 143 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | 144.3 | 148.1 | 140.8 | 175.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 245 | K | 32.7 | Very low | 33.4 | Very low | 171 Ų | 171 | 141.9 Ų | 141.9 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | cis | -174.8 | 149.8 | -27.2 | -167.9 | -166.3 | -179.1 | 177.9 | 0 | 103.8 | ||||
| 246 | Q | 35.9 | Very low | 33.4 | Very low | 156 Ų | 156 | 140.8 Ų | 140.8 | 73% | 0.729 | 78% | 0.778 | S | S | * | * | trans | 75.2 | 113.4 | 166.5 | -75.4 | 171.8 | -9.4 | 0 | 0 | 117.5 | ||||
| 247 | R | 33.3 | Very low | 33.5 | Very low | 248 Ų | 248 | 136.5 Ų | 136.5 | 94% | 0.936 | 77% | 0.773 | S | S | * | * | 82.8 | 116.7 | 73.7 | -93.2 | -168.1 | 178.4 | -174.6 | 0.5 | 112.5 | |||||
| 248 | G | 32.3 | Very low | 34.3 | Very low | 80 Ų | 80 | 136.7 Ų | 136.7 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | trans | 146.4 | 114.8 | 160.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 249 | A | 33.2 | Very low | 34.5 | Very low | 101 Ų | 101 | 139.9 Ų | 139.9 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | trans | -76.8 | 127.3 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 250 | V | 34.5 | Very low | 34.8 | Very low | 130 Ų | 130 | 146.9 Ų | 146.9 | 79% | 0.788 | 80% | 0.804 | S | S | * | * | 8.6 | 134.5 | 117.7 | 166.1 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 251 | V | 39.9 | Very low | 35 | Very low | 119 Ų | 119 | 145 Ų | 145 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | cis | 174.6 | 179.1 | 14.6 | 138.5 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 252 | P | 43.4 | Very low | 35.2 | Very low | 111 Ų | 111 | 142.4 Ų | 142.4 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | cis | -124.3 | 155.9 | -6.1 | 15.6 | 8.2 | 0 | 0 | 0 | 115.8 | ||||
| 253 | V | 32.8 | Very low | 35.5 | Very low | 124 Ų | 124 | 137.3 Ų | 137.3 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | trans | -83.3 | 144.8 | 142.3 | 173.8 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 254 | T | 36.4 | Very low | 35.9 | Very low | 112 Ų | 112 | 133.4 Ų | 133.4 | 69% | 0.687 | 79% | 0.791 | S | S | * | * | 168.2 | 147.5 | 73 | -14.6 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 255 | S | 34.4 | Very low | 36.3 | Very low | 107 Ų | 107 | 134.5 Ų | 134.5 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | 50.3 | 155.7 | 129.2 | 74.2 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 256 | A | 33.2 | Very low | 36.5 | Very low | 76 Ų | 76 | 132.1 Ų | 132.1 | 63% | 0.628 | 79% | 0.794 | S | S | * | * | cis | -174.3 | 135.1 | 8.6 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 257 | S | 34.9 | Very low | 36.6 | Very low | 112 Ų | 112 | 130.4 Ų | 130.4 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | 82.1 | 175 | 110.3 | -51.4 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 258 | P | 46.9 | Very low | 36.8 | Very low | 108 Ų | 108 | 121.3 Ų | 121.3 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | -133.1 | -163.2 | -71.8 | 40.3 | -23.4 | 0 | 0 | 0 | 112.4 | |||||
| 259 | T | 36.2 | Very low | 37.2 | Very low | 133 Ų | 133 | 124.8 Ų | 124.8 | 82% | 0.816 | 78% | 0.784 | S | S | * | * | trans | 73.3 | 129.8 | 164.5 | 23.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 260 | Q | 40.4 | Very low | 37.5 | Very low | 264 Ų | 264 | 126.9 Ų | 126.9 | 100% | 1.234 | 78% | 0.78 | S | S | * | * | cis | -126.1 | 0 | 27.3 | -79 | 166 | 10.3 | 0 | 0 | 113 |
Retrieved 260 of 260 residues in 327.6 ms
(Link to these results)