| 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 | 41.5 | Very low | 47.7 | Very low | 246 Ų | 246 | 131.7 Ų | 131.7 | 100% | 1.212 | 85% | 0.851 | S | S | * | * | 0 | 124.1 | 0 | -89.2 | 135.9 | 69.8 | 0 | 0 | 108.7 | |||||
| 2 | G | 45.9 | Very low | 47.9 | Very low | 85 Ų | 85 | 140.2 Ų | 140.2 | 88% | 0.876 | 85% | 0.854 | S | S | * | * | trans | 71.2 | 120.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 3 | G | 42.6 | Very low | 48.5 | Very low | 73 Ų | 73 | 139.5 Ų | 139.5 | 75% | 0.753 | 85% | 0.854 | S | S | * | * | cis | 101.9 | 93.1 | 26.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 4 | S | 45.2 | Very low | 48.3 | Very low | 135 Ų | 135 | 143.4 Ų | 143.4 | 94% | 0.944 | 85% | 0.853 | S | S | * | * | trans | 179.8 | 131.6 | 166.5 | -85 | 0 | 0 | 0 | 0 | 109 | ||||
| 5 | G | 40.9 | Very low | 48 | Very low | 71 Ų | 71 | 142.3 Ų | 142.3 | 73% | 0.732 | 86% | 0.856 | S | S | * | * | cis | -161.3 | 136.2 | -7 | 0 | 0 | 0 | 0 | 0 | 107.2 | K7 | G5-K7 PolarHBondContact O-N 3.44Š| ||
| 6 | S | 54.3 | Low | 47.6 | Very low | 125 Ų | 125 | 136.9 Ų | 136.9 | 87% | 0.874 | 84% | 0.839 | S | S | * | * | trans | -71.3 | 122.2 | -177.7 | -58.1 | 0 | 0 | 0 | 0 | 110.6 | V8 | S6-V8 PolarHBondContact O-N 3.23Å; S6-V8 VanDerWaalsContact O-N 3.09Å | ||
| 7 | K | 52.6 | Low | 47.3 | Very low | 211 Ų | 211 | 136.3 Ų | 136.3 | 92% | 0.917 | 84% | 0.841 | S | S | * | * | trans | -73.8 | 95.3 | 166.1 | -70.7 | -171.3 | 174.7 | 179.3 | 0 | 108.6 | G5 K9 | G5-K7 PolarHBondContact O-N 3.44Å; K7-K9 PolarHBondContact O-N 2.97Å; K7-K9 VanDerWaalsContact O-N 3.13Å | ||
| 8 | V | 53 | Low | 46.8 | Very low | 135 Ų | 135 | 133.1 Ų | 133.1 | 82% | 0.818 | 84% | 0.839 | S | S | * | * | trans | -75.4 | 96.8 | 166 | 60.3 | 0 | 0 | 0 | 0 | 108.3 | S6 G10 | S6-V8 PolarHBondContact O-N 3.23Å; S6-V8 VanDerWaalsContact O-N 3.09Å; V8-G10 PolarHBondContact O-N 3Å | ||
| 9 | K | 53.8 | Low | 46.2 | Very low | 197 Ų | 197 | 130.3 Ų | 130.3 | 86% | 0.857 | 84% | 0.839 | S | S | * | * | trans | -77.6 | 95.9 | 165.2 | -169.4 | 177.6 | -178.9 | -171 | 0 | 106.2 | K7 S11 | K7-K9 PolarHBondContact O-N 2.97Å; K7-K9 VanDerWaalsContact O-N 3.13Å; K9-S11 PolarHBondContact O-N 3.48Å | ||
| 10 | G | 46 | Very low | 45.9 | Very low | 55 Ų | 55 | 131.3 Ų | 131.3 | 57% | 0.567 | 84% | 0.837 | S | S | * | * | trans | -56.1 | 110.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110 | V8 | V8-G10 PolarHBondContact O-N 3Š| ||
| 11 | S | 49.1 | Very low | 45.7 | Very low | 116 Ų | 116 | 129.9 Ų | 129.9 | 81% | 0.811 | 83% | 0.831 | S | S | * | * | trans | -80.8 | 114.9 | 173.8 | -168.4 | 0 | 0 | 0 | 0 | 108.2 | K9 | K9-S11 PolarHBondContact O-N 3.48Š| ||
| 12 | W | 49.9 | Very low | 45.5 | Very low | 233 Ų | 233 | 122 Ų | 122 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | trans | -81.2 | 130.6 | 171.3 | -75.7 | 55.6 | 0 | 0 | 0 | 108.6 | F14 | W12-F14 VanDerWaalsContact C-N 3.28Å; W12-F14 PolarHBondContact O-N 2.79Å | ||
| 13 | P | 56.5 | Low | 45 | Very low | 132 Ų | 132 | 123.1 Ų | 123.1 | 86% | 0.857 | 81% | 0.814 | S | S | * | * | trans | -87.4 | 67.8 | -177.9 | 36.4 | -33.2 | 0 | 0 | 0 | 110 | ||||
| 14 | F | 45.7 | Very low | 45 | Very low | 193 Ų | 193 | 128 Ų | 128 | 85% | 0.846 | 82% | 0.823 | S | S | * | * | trans | -122.5 | 72.9 | 160.6 | -169 | -98.3 | 0 | 0 | 0 | 108.2 | W12 | W12-F14 VanDerWaalsContact C-N 3.28Å; W12-F14 PolarHBondContact O-N 2.79Å | ||
| 15 | S | 43.7 | Very low | 44.6 | Very low | 127 Ų | 127 | 125 Ų | 125 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | trans | -100.8 | 88.1 | 164.5 | -166.1 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 16 | G | 40.8 | Very low | 44.9 | Very low | 57 Ų | 57 | 129.2 Ų | 129.2 | 59% | 0.588 | 82% | 0.819 | S | S | * | * | trans | -90.5 | 114 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 17 | S | 42.3 | Very low | 44.3 | Very low | 126 Ų | 126 | 131.6 Ų | 131.6 | 88% | 0.881 | 82% | 0.816 | S | S | * | * | trans | -62.1 | 140.9 | 171.8 | -174.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 18 | G | 38.6 | Very low | 44.3 | Very low | 78 Ų | 78 | 130.8 Ų | 130.8 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -78.1 | 175.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 19 | G | 36.5 | Very low | 43.8 | Very low | 81 Ų | 81 | 129.4 Ų | 129.4 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | 172 | 123.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 20 | D | 39.4 | Very low | 43.8 | Very low | 150 Ų | 150 | 126.3 Ų | 126.3 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | trans | -96.2 | 163.3 | -168.2 | 109.5 | 78.5 | 0 | 0 | 0 | 113.6 | ||||
| 21 | S | 41.2 | Very low | 44 | Very low | 101 Ų | 101 | 128.3 Ų | 128.3 | 71% | 0.706 | 82% | 0.82 | S | S | * | * | trans | 130.9 | 104.4 | 143.5 | -75 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 22 | G | 38.2 | Very low | 44.1 | Very low | 82 Ų | 82 | 133.7 Ų | 133.7 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | trans | 50.6 | 118.3 | 132.2 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 23 | A | 35.4 | Very low | 44.3 | Very low | 108 Ų | 108 | 128.3 Ų | 128.3 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | 168.8 | 136.1 | 117.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 24 | D | 42.1 | Very low | 44.1 | Very low | 176 Ų | 176 | 132.2 Ų | 132.2 | 94% | 0.941 | 81% | 0.814 | S | S | * | * | trans | -49.5 | 145.3 | 173.8 | -81.2 | -64.1 | 0 | 0 | 0 | 114.7 | ||||
| 25 | G | 36.1 | Very low | 44.4 | Very low | 71 Ų | 71 | 126.1 Ų | 126.1 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | trans | 161.5 | 98.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | E27 | G25-E27 PolarHBondContact O-N 3.37Š| ||
| 26 | N | 48.9 | Very low | 45 | Very low | 159 Ų | 159 | 122.4 Ų | 122.4 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | trans | -52.4 | 99.2 | 168.8 | 169.1 | 50.2 | 0 | 0 | 0 | 112.8 | ||||
| 27 | E | 40.8 | Very low | 45.7 | Very low | 175 Ų | 175 | 130.6 Ų | 130.6 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -147.7 | 129.5 | 152.6 | -64.5 | -167.9 | 94 | 0 | 0 | 107.7 | G25 S29 | G25-E27 PolarHBondContact O-N 3.37Å; E27-S29 PolarHBondContact O-N 3.33Å | ||
| 28 | Q | 51.6 | Low | 46.4 | Very low | 194 Ų | 194 | 132.2 Ų | 132.2 | 91% | 0.907 | 79% | 0.792 | S | S | * | * | trans | -60.1 | 85.6 | 174.8 | -76.4 | 177 | -5.9 | 0 | 0 | 110.1 | V30 | Q28-V30 PolarHBondContact O-N 3.26Å; Q28-V30 VanDerWaalsContact O-N 3.08Å | ||
| 29 | S | 43.5 | Very low | 47.5 | Very low | 107 Ų | 107 | 130.6 Ų | 130.6 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | trans | -81.6 | 88.5 | 172.5 | 61.5 | 0 | 0 | 0 | 0 | 107.6 | E27 A31 | E27-S29 PolarHBondContact O-N 3.33Å; S29-A31 PolarHBondContact O-N 3.42Å | ||
| 30 | V | 54 | Low | 49.3 | Very low | 132 Ų | 132 | 131 Ų | 131 | 80% | 0.8 | 76% | 0.758 | S | S | * | * | trans | -51.2 | 109.1 | 155.4 | -77 | 0 | 0 | 0 | 0 | 106.3 | Q28 R32 | Q28-V30 PolarHBondContact O-N 3.26Å; Q28-V30 VanDerWaalsContact O-N 3.08Å; V30-R32 PolarHBondContact O-N 3.35Å | ||
| 31 | A | 48.9 | Very low | 51.2 | Low | 96 Ų | 96 | 125.9 Ų | 125.9 | 79% | 0.793 | 73% | 0.733 | S | S | * | * | trans | -55.1 | 107 | -177.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | S29 L33 | S29-A31 PolarHBondContact O-N 3.42Å; A31-L33 VanDerWaalsContact C-N 3.33Å; A31-L33 PolarHBondContact O-N 2.94Å | ||
| 32 | R | 53 | Low | 53.2 | Low | 229 Ų | 229 | 126 Ų | 126 | 86% | 0.864 | 72% | 0.721 | S | S | * | * | trans | -60.9 | 100.4 | 175.4 | -93.9 | 178.4 | 170.9 | 126.9 | -3.8 | 106.6 | V30 K34 | V30-R32 PolarHBondContact O-N 3.35Å; R32-K34 VanDerWaalsContact C-N 3.32Å; R32-K34 PolarHBondContact O-N 3.08Å | ||
| 33 | L | 53.4 | Low | 55.5 | Low | 121 Ų | 121 | 124 Ų | 124 | 63% | 0.634 | 69% | 0.692 | S | S | * | * | trans | -59.8 | 101 | 165.2 | -170.3 | 69.3 | 0 | 0 | 0 | 105.9 | A31 G35 | A31-L33 VanDerWaalsContact C-N 3.33Å; A31-L33 PolarHBondContact O-N 2.94Å; L33-G35 PolarHBondContact O-N 3.43Å | ||
| 34 | K | 52.6 | Low | 58 | Low | 213 Ų | 213 | 124.5 Ų | 124.5 | 93% | 0.926 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 54.8 | -175.7 | -65.3 | -170.7 | -177 | -179.9 | 0 | 111.6 | R32 | R32-K34 VanDerWaalsContact C-N 3.32Å; R32-K34 PolarHBondContact O-N 3.08Å |
| 35 | G | 51.9 | Low | 60.2 | Low | 65 Ų | 65 | 119.5 Ų | 119.5 | 67% | 0.67 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.3 | -31.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L33 R37 | L33-G35 PolarHBondContact O-N 3.43Å; G35-R37 PolarHBondContact O-N 2.87Å |
| 36 | S | 55.4 | Low | 62.8 | Low | 50 Ų | 50 | 123.5 Ų | 123.5 | 35% | 0.35 | 64% | 0.643 | S | S | . | * | trans | -97.1 | 96.9 | 177.2 | 56.2 | 0 | 0 | 0 | 0 | 110.2 | N38 F102 | S36-N38 PolarHBondContact O-N 2.85Å; S36-F102 WeakPolarHBondContact OG-CE1 3.07Å; S36-F102 VanDerWaalsContact OG-CZ 3.22Å; S36-F102 WeakPolarHBondContact OG-CZ 3.22Å | ||
| 37 | R | 56.8 | Low | 64.8 | Low | 229 Ų | 229 | 126.2 Ų | 126.2 | 86% | 0.864 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -61.8 | 106.3 | 168.4 | -72.2 | -176.5 | -97.1 | -171.2 | -4.2 | 107.9 | G35 | G35-R37 PolarHBondContact O-N 2.87Š|
| 38 | N | 55.5 | Low | 67.1 | Low | 159 Ų | 159 | 119.1 Ų | 119.1 | 85% | 0.85 | 61% | 0.611 | S | S | * | * | S | Bend | trans | 89.4 | -0.5 | 151.9 | -35.8 | -11.8 | 0 | 0 | 0 | 119 | S36 | S36-N38 PolarHBondContact O-N 2.85Š|
| 39 | A | 63.3 | Low | 69 | Low | 44 Ų | 44 | 112.4 Ų | 112.4 | 36% | 0.364 | 59% | 0.585 | S | S | . | * | trans | -94.2 | 129.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F102 | A39-F102 HydrophobicContact CB-CE2 3.67Å; A39-F102 HydrophobicContact CB-CZ 3.72Å; A39-F102 WeakPolarHBondContact O-CZ 3.12Å | ||
| 40 | T | 72.8 | Confident | 71.4 | Confident | 91 Ų | 91 | 109.1 Ų | 109.1 | 56% | 0.558 | 56% | 0.559 | S | S | * | * | trans | -76.4 | 145.6 | 170.9 | 51.1 | 0 | 0 | 0 | 0 | 109.8 | F42 | T40-F42 PolarHBondContact O-N 2.9Å; T40-F42 PolarHBondContact OG1-O 3.41Å | ||
| 41 | P | 80.8 | Confident | 73.4 | Confident | 42 Ų | 42 | 107.1 Ų | 107.1 | 27% | 0.273 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -61.5 | -24.4 | 176 | 23.4 | -32.9 | 0 | 0 | 0 | 112.8 | I98 H99 F102 I104 | P41-I98 CarbonylContact O-C 3.53Å; P41-I98 WeakPolarHBondContact O-CA 3.33Å; P41-H99 PolarHBondContact O-N 2.89Å; P41-F102 HydrophobicContact CB-CB 4.43Å; P41-I104 HydrophobicContact CB-CD1 3.2Å; P41-I104 HydrophobicContact CB-CG1 4.44Å; P41-I104 HydrophobicContact CG-CD1 4.26Å |
| 42 | F | 82.9 | Confident | 75.5 | Confident | 103 Ų | 103 | 106 Ų | 106 | 45% | 0.452 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 127.3 | 178.1 | -58.4 | -68.4 | 0 | 0 | 0 | 111.4 | T40 F44 P96 C97 | T40-F42 PolarHBondContact O-N 2.9Å; T40-F42 PolarHBondContact OG1-O 3.41Å; F42-F44 HydrophobicContact CB-CD2 4.39Å; F42-F44 HydrophobicContact CB-CE2 3.63Å; F42-F44 HydrophobicContact CB-CZ 3.97Å; F42-P96 HydrophobicContact CB-CB 4.05Å; F42-P96 HydrophobicContact CD1-CB 4.12Å; F42-P96 HydrophobicContact CD1-CG 4.41Å; F42-P96 HydrophobicContact CG-CB 4.44Å; F42-C97 CarbonylContact C-O 3.6Å |
| 43 | V | 86.3 | Confident | 77.4 | Confident | 40 Ų | 40 | 96.6 Ų | 96.6 | 24% | 0.242 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 114.7 | 175 | -179.3 | 0 | 0 | 0 | 0 | 108 | T45 P96 C97 H99 | V43-T45 WeakPolarHBondContact CG1-O 3.15Å; V43-P96 WeakPolarHBondContact O-CA 3.1Å; V43-C97 PolarHBondContact N-O 2.81Å; V43-C97 PolarHBondContact O-N 2.78Å; V43-H99 HydrophobicContact CG2-CB 3.78Å |
| 44 | F | 86.7 | Confident | 79.1 | Confident | 118 Ų | 118 | 97.9 Ų | 97.9 | 52% | 0.518 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | -6.1 | 179.2 | -64.7 | -89.2 | 0 | 0 | 0 | 112.9 | F42 K92 L93 P96 | F42-F44 HydrophobicContact CB-CD2 4.39Å; F42-F44 HydrophobicContact CB-CE2 3.63Å; F42-F44 HydrophobicContact CB-CZ 3.97Å; F44-K92 WeakPolarHBondContact O-CA 3.42Å; F44-L93 PolarHBondContact O-N 2.81Å; F44-P96 HydrophobicContact CD1-CB 3.96Å; F44-P96 HydrophobicContact CE1-CB 3.67Å; F44-P96 HydrophobicContact CE1-CG 4.03Å; F44-P96 HydrophobicContact CZ-CB 3.99Å; F44-P96 HydrophobicContact CZ-CG 4.47Å |
| 45 | T | 90 | Very high | 80.9 | Confident | 71 Ų | 71 | 94.7 Ų | 94.7 | 44% | 0.436 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 136.9 | -175.5 | 60 | 0 | 0 | 0 | 0 | 111.2 | V43 I90 V91 K92 | V43-T45 WeakPolarHBondContact CG1-O 3.15Å; T45-I90 HydrophobicContact CG2-CG2 4.1Å; T45-V91 CarbonylContact C-O 3.51Å; T45-V91 VanDerWaalsContact CA-O 3.27Å; T45-V91 WeakPolarHBondContact CA-O 2.8Å; T45-K92 HydrophobicContact CG2-CG 4.33Å |
| 46 | R | 89.7 | Confident | 82.7 | Confident | 156 Ų | 156 | 93.8 Ų | 93.8 | 59% | 0.589 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122 | 146 | 176.5 | 176 | -178.6 | 167.8 | -166.5 | -1.9 | 110.4 | S48 I90 V91 L93 | R46-S48 PolarHBondContact O-N 2.87Å; R46-I90 WeakPolarHBondContact O-CA 3.49Å; R46-V91 PolarHBondContact N-O 2.92Å; R46-V91 PolarHBondContact O-N 3.03Å; R46-L93 HydrophobicContact CB-CD1 4.24Å; R46-L93 HydrophobicContact CB-CD2 3.95Å; R46-L93 HydrophobicContact CB-CG 4.25Å |
| 47 | R | 90 | Very high | 84.5 | Confident | 215 Ų | 215 | 96.4 Ų | 96.4 | 81% | 0.811 | 48% | 0.479 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 118 | 167 | -173.7 | 171.1 | 167.3 | 145.4 | -3.1 | 110 | ||
| 48 | S | 90.3 | Very high | 86.3 | Confident | 27 Ų | 27 | 89 Ų | 89 | 19% | 0.189 | 46% | 0.456 | C | S | . | . | trans | -79.9 | 149.9 | 179.1 | -175.1 | 0 | 0 | 0 | 0 | 111.8 | R46 L50 Q88 G89 | R46-S48 PolarHBondContact O-N 2.87Å; S48-L50 WeakPolarHBondContact OG-CB 3.43Å; S48-L50 PolarHBondContact OG-N 3.43Å; S48-L50 VanDerWaalsContact OG-N 3.08Å; S48-Q88 VanDerWaalsContact CB-OE1 3.27Å; S48-Q88 PolarHBondContact OG-OE1 2.73Å; S48-G89 WeakPolarHBondContact CB-O 3.27Å; S48-G89 PolarHBondContact N-O 2.71Å | ||
| 49 | S | 91.1 | Very high | 88.2 | Confident | 52 Ų | 52 | 82.8 Ų | 82.8 | 36% | 0.364 | 43% | 0.427 | S | S | . | . | trans | -98.8 | 4.6 | 170.6 | 43.1 | 0 | 0 | 0 | 0 | 112.8 | Y51 H60 | S49-Y51 WeakPolarHBondContact O-CD2 3.3Å; S49-Y51 WeakPolarHBondContact O-CE2 3.24Å; S49-H60 PolarHBondContact OG-CD2 2.83Å; S49-H60 PolarHBondContact OG-NE2 3.17Å | ||
| 50 | L | 94.1 | Very high | 89.6 | Confident | 38 Ų | 38 | 86 Ų | 86 | 20% | 0.199 | 43% | 0.434 | C | S | . | . | trans | -87.8 | 152.6 | 179.8 | -63.9 | 164.3 | 0 | 0 | 0 | 111.6 | S48 L58 A59 H60 Q88 | S48-L50 WeakPolarHBondContact OG-CB 3.43Å; S48-L50 PolarHBondContact OG-N 3.43Å; S48-L50 VanDerWaalsContact OG-N 3.08Å; L50-L58 HydrophobicContact CB-CD1 3.56Å; L50-L58 HydrophobicContact CB-CG 3.95Å; L50-L58 HydrophobicContact CD1-CD1 4.45Å; L50-L58 HydrophobicContact CD1-CD2 3.9Å; L50-L58 HydrophobicContact CD1-CG 4.05Å; L50-L58 HydrophobicContact CD2-CG 4.38Å; L50-L58 HydrophobicContact CG-CD1 4.47Å; L50-L58 HydrophobicContact CG-CG 4.36Å; L50-A59 WeakPolarHBondContact CA-O 3.35Å; L50-A59 VanDerWaalsContact CD2-C 3.49Å; L50-H60 WeakPolarHBondContact CD2-CE1 3.35Å; L50-H60 VanDerWaalsContact CD2-ND1 3.31Å; L50-H60 WeakPolarHBondContact CD2-ND1 3.4Å; L50-Q88 HydrophobicContact CB-CB 4.27Å; L50-Q88 WeakPolarHBondContact O-CB 3.38Å; L50-Q88 PolarHBondContact O-N 3.45Å | ||
| 51 | Y | 94.9 | Very high | 90.6 | Very high | 91 Ų | 91 | 85.6 Ų | 85.6 | 36% | 0.357 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 148.5 | 177.1 | -62.1 | -98.4 | 0 | 0 | 0 | 110.1 | S49 L58 A59 F62 L85 I86 P87 | S49-Y51 WeakPolarHBondContact O-CD2 3.3Å; S49-Y51 WeakPolarHBondContact O-CE2 3.24Å; Y51-L58 WeakPolarHBondContact O-CA 3.23Å; Y51-A59 PolarHBondContact N-O 2.84Å; Y51-A59 PolarHBondContact O-N 2.79Å; Y51-F62 VanDerWaalsContact O-CE2 3.24Å; Y51-F62 WeakPolarHBondContact O-CE2 3.2Å; Y51-F62 VanDerWaalsContact O-CZ 3.3Å; Y51-F62 WeakPolarHBondContact O-CZ 3.38Å; Y51-L85 HydrophobicContact CD1-CB 3.96Å; Y51-L85 HydrophobicContact CG-CB 4.24Å; Y51-I86 CarbonylContact C-O 3.59Å; Y51-I86 VanDerWaalsContact CA-O 3.27Å; Y51-I86 WeakPolarHBondContact CA-O 3.48Å; Y51-P87 HydrophobicContact CD1-CB 3.94Å; Y51-P87 HydrophobicContact CE1-CB 3.78Å |
| 52 | F | 94.3 | Very high | 91.2 | Very high | 72 Ų | 72 | 84.7 Ų | 84.7 | 32% | 0.316 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 137.5 | 166 | -63.7 | -81.2 | 0 | 0 | 0 | 109.8 | D57 L58 L85 I86 Q88 | F52-D57 VanDerWaalsContact CA-O 3.25Å; F52-D57 WeakPolarHBondContact CA-O 3.27Å; F52-L58 HydrophobicContact CD1-CB 4.2Å; F52-L58 HydrophobicContact CD1-CD1 3.92Å; F52-L58 HydrophobicContact CD2-CD1 4.12Å; F52-L58 HydrophobicContact CE1-CB 4.02Å; F52-L58 HydrophobicContact CE1-CD1 3.73Å; F52-L58 HydrophobicContact CE1-CD2 4.42Å; F52-L58 HydrophobicContact CE1-CG 4.27Å; F52-L58 HydrophobicContact CE2-CD1 3.93Å; F52-L58 HydrophobicContact CG-CD1 4.12Å; F52-L58 HydrophobicContact CZ-CD1 3.74Å; F52-L58 HydrophobicContact CZ-CD2 4.43Å; F52-L85 CarbonylContact O-C 3.58Å; F52-L85 WeakPolarHBondContact O-CA 3.25Å; F52-I86 HydrophobicContact CB-CB 4.33Å; F52-I86 PolarHBondContact N-O 2.98Å; F52-I86 PolarHBondContact O-N 3.47Å; F52-Q88 HydrophobicContact CE2-CB 4.16Å; F52-Q88 HydrophobicContact CE2-CG 3.98Å; F52-Q88 HydrophobicContact CZ-CG 4.45Å |
| 53 | D | 92.1 | Very high | 91.6 | Very high | 31 Ų | 31 | 85.5 Ų | 85.5 | 17% | 0.166 | 42% | 0.419 | C | S | . | . | trans | -90.1 | -170.6 | 167.1 | 68.9 | 4.2 | 0 | 0 | 0 | 112.3 | D55 G56 D57 F62 L85 | D53-D55 PolarHBondContact O-N 2.64Å; D53-D55 PolarHBondContact OD1-N 3.02Å; D53-D55 VanDerWaalsContact OD1-N 3.08Å; D53-G56 PolarHBondContact O-N 2.84Å; D53-G56 PolarHBondContact OD1-N 3.16Å; D53-D57 PolarHBondContact N-O 2.87Å; D53-D57 VanDerWaalsContact N-O 3.17Å; D53-D57 PolarHBondContact OD1-N 2.67Å; D53-F62 HydrophobicContact CB-CD1 3.68Å; D53-F62 HydrophobicContact CB-CE1 3.49Å; D53-F62 VanDerWaalsContact CB-CE1 3.49Å; D53-F62 HydrophobicContact CB-CE2 4.41Å; D53-F62 HydrophobicContact CB-CG 4.22Å; D53-F62 HydrophobicContact CB-CZ 3.88Å; D53-F62 VanDerWaalsContact CG-CE1 3.41Å; D53-F62 WeakPolarHBondContact OD2-CD1 3.46Å; D53-F62 WeakPolarHBondContact OD2-CE1 3.31Å; D53-L85 HydrophobicContact CB-CD2 3.89Å | ||
| 54 | E | 89.3 | Confident | 91.8 | Very high | 149 Ų | 149 | 88.9 Ų | 88.9 | 70% | 0.696 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -24.8 | -178.9 | -62.6 | -175.8 | 177 | 0 | 0 | 112.6 | N84 | E54-N84 HydrophobicContact CG-CB 4.4Å; E54-N84 WeakPolarHBondContact OE1-CB 3.49Å; E54-N84 PolarHBondContact OE1-ND2 3.06Å |
| 55 | D | 89.9 | Confident | 91.9 | Very high | 145 Ų | 145 | 89.1 Ų | 89.1 | 78% | 0.775 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -9.2 | -179.9 | -64.3 | -43.7 | 0 | 0 | 0 | 112.3 | D53 | D53-D55 PolarHBondContact O-N 2.64Å; D53-D55 PolarHBondContact OD1-N 3.02Å; D53-D55 VanDerWaalsContact OD1-N 3.08Å |
| 56 | G | 91.1 | Very high | 91.6 | Very high | 46 Ų | 46 | 87.7 Ų | 87.7 | 47% | 0.474 | 43% | 0.426 | S | S | . | . | trans | 90.1 | 11.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | D53 | D53-G56 PolarHBondContact O-N 2.84Å; D53-G56 PolarHBondContact OD1-N 3.16Å | ||
| 57 | D | 93.3 | Very high | 91.2 | Very high | 105 Ų | 105 | 84.9 Ų | 84.9 | 56% | 0.561 | 43% | 0.426 | S | S | * | . | trans | -71.7 | 142.4 | 174.2 | -78.6 | -17.7 | 0 | 0 | 0 | 110.1 | F52 D53 F62 | F52-D57 VanDerWaalsContact CA-O 3.25Å; F52-D57 WeakPolarHBondContact CA-O 3.27Å; D53-D57 PolarHBondContact N-O 2.87Å; D53-D57 VanDerWaalsContact N-O 3.17Å; D53-D57 PolarHBondContact OD1-N 2.67Å; D57-F62 HydrophobicContact CB-CE1 4.05Å; D57-F62 VanDerWaalsContact O-CZ 3.23Å; D57-F62 WeakPolarHBondContact O-CZ 3.48Å | ||
| 58 | L | 94 | Very high | 90.5 | Very high | 74 Ų | 74 | 77.2 Ų | 77.2 | 39% | 0.387 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 112.2 | -177.6 | -174.6 | 67.2 | 0 | 0 | 0 | 110.6 | L50 Y51 F52 Q88 | L50-L58 HydrophobicContact CB-CD1 3.56Å; L50-L58 HydrophobicContact CB-CG 3.95Å; L50-L58 HydrophobicContact CD1-CD1 4.45Å; L50-L58 HydrophobicContact CD1-CD2 3.9Å; L50-L58 HydrophobicContact CD1-CG 4.05Å; L50-L58 HydrophobicContact CD2-CG 4.38Å; L50-L58 HydrophobicContact CG-CD1 4.47Å; L50-L58 HydrophobicContact CG-CG 4.36Å; Y51-L58 WeakPolarHBondContact O-CA 3.23Å; F52-L58 HydrophobicContact CD1-CB 4.2Å; F52-L58 HydrophobicContact CD1-CD1 3.92Å; F52-L58 HydrophobicContact CD2-CD1 4.12Å; F52-L58 HydrophobicContact CE1-CB 4.02Å; F52-L58 HydrophobicContact CE1-CD1 3.73Å; F52-L58 HydrophobicContact CE1-CD2 4.42Å; F52-L58 HydrophobicContact CE1-CG 4.27Å; F52-L58 HydrophobicContact CE2-CD1 3.93Å; F52-L58 HydrophobicContact CG-CD1 4.12Å; F52-L58 HydrophobicContact CZ-CD1 3.74Å; F52-L58 HydrophobicContact CZ-CD2 4.43Å; L58-Q88 HydrophobicContact CD1-CB 4.24Å; L58-Q88 HydrophobicContact CD1-CG 4.36Å |
| 59 | A | 94.9 | Very high | 89.8 | Confident | 29 Ų | 29 | 80.5 Ų | 80.5 | 24% | 0.24 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 165.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L50 Y51 F62 | L50-A59 WeakPolarHBondContact CA-O 3.35Å; L50-A59 VanDerWaalsContact CD2-C 3.49Å; Y51-A59 PolarHBondContact N-O 2.84Å; Y51-A59 PolarHBondContact O-N 2.79Å; A59-F62 HydrophobicContact CB-CD2 4.46Å; A59-F62 HydrophobicContact CB-CE1 3.97Å; A59-F62 HydrophobicContact CB-CE2 3.83Å; A59-F62 HydrophobicContact CB-CZ 3.56Å |
| 60 | H | 94.1 | Very high | 88.9 | Confident | 110 Ų | 110 | 85.3 Ų | 85.3 | 51% | 0.509 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -75.2 | -31.7 | 172.8 | -74.2 | 88.8 | 0 | 0 | 0 | 111.8 | S49 L50 | S49-H60 PolarHBondContact OG-CD2 2.83Å; S49-H60 PolarHBondContact OG-NE2 3.17Å; L50-H60 WeakPolarHBondContact CD2-CE1 3.35Å; L50-H60 VanDerWaalsContact CD2-ND1 3.31Å; L50-H60 WeakPolarHBondContact CD2-ND1 3.4Å |
| 61 | E | 92.3 | Very high | 87.8 | Confident | 84 Ų | 84 | 91.8 Ų | 91.8 | 39% | 0.393 | 47% | 0.471 | S | S | . | . | trans | -148.5 | 139.5 | -175 | -50.7 | -165.9 | 162.5 | 0 | 0 | 110.2 | Y63 R80 | E61-Y63 HydrophobicContact CB-CE2 3.8Å; E61-Y63 PolarHBondContact OE2-OH 2.83Å; E61-R80 IonicContact OE1-CZ 3.17Å; E61-R80 IonicContact OE1-NH1 3.9Å; E61-R80 PolarHBondContact OE1-NH1 3.23Å; E61-R80 IonicContact OE1-NH2 2.87Å; E61-R80 PolarHBondContact OE1-NH2 3.14Å; E61-R80 IonicContact OE2-CZ 3.43Å; E61-R80 IonicContact OE2-NE 3.96Å; E61-R80 IonicContact OE2-NH1 3.29Å; E61-R80 PolarHBondContact OE2-NH1 2.85Å; E61-R80 VanDerWaalsContact OE2-NH1 3.16Å; E61-R80 IonicContact OE2-NH2 3.16Å | ||
| 62 | F | 93.5 | Very high | 87 | Confident | 22 Ų | 22 | 91.3 Ų | 91.3 | 10% | 0.096 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 143.1 | 176.7 | -67.8 | -91.2 | 0 | 0 | 0 | 110.4 | Y51 D53 D57 A59 R80 I81 L85 | Y51-F62 VanDerWaalsContact O-CE2 3.24Å; Y51-F62 WeakPolarHBondContact O-CE2 3.2Å; Y51-F62 VanDerWaalsContact O-CZ 3.3Å; Y51-F62 WeakPolarHBondContact O-CZ 3.38Å; D53-F62 HydrophobicContact CB-CD1 3.68Å; D53-F62 HydrophobicContact CB-CE1 3.49Å; D53-F62 VanDerWaalsContact CB-CE1 3.49Å; D53-F62 HydrophobicContact CB-CE2 4.41Å; D53-F62 HydrophobicContact CB-CG 4.22Å; D53-F62 HydrophobicContact CB-CZ 3.88Å; D53-F62 VanDerWaalsContact CG-CE1 3.41Å; D53-F62 WeakPolarHBondContact OD2-CD1 3.46Å; D53-F62 WeakPolarHBondContact OD2-CE1 3.31Å; D57-F62 HydrophobicContact CB-CE1 4.05Å; D57-F62 VanDerWaalsContact O-CZ 3.23Å; D57-F62 WeakPolarHBondContact O-CZ 3.48Å; A59-F62 HydrophobicContact CB-CD2 4.46Å; A59-F62 HydrophobicContact CB-CE1 3.97Å; A59-F62 HydrophobicContact CB-CE2 3.83Å; A59-F62 HydrophobicContact CB-CZ 3.56Å; F62-R80 WeakPolarHBondContact O-CA 3.4Å; F62-I81 HydrophobicContact CB-CB 4.44Å; F62-I81 PolarHBondContact O-N 2.81Å; F62-L85 HydrophobicContact CB-CD1 4.43Å; F62-L85 HydrophobicContact CB-CD2 4.17Å; F62-L85 HydrophobicContact CD2-CD1 3.69Å; F62-L85 HydrophobicContact CD2-CD2 3.4Å; F62-L85 HydrophobicContact CD2-CG 4.18Å; F62-L85 HydrophobicContact CE2-CD1 4.47Å; F62-L85 HydrophobicContact CE2-CD2 3.89Å; F62-L85 HydrophobicContact CG-CD1 4.45Å; F62-L85 HydrophobicContact CG-CD2 3.8Å |
| 63 | Y | 92.8 | Very high | 86.1 | Confident | 120 Ų | 120 | 96.6 Ų | 96.6 | 47% | 0.471 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 132.5 | 178.9 | -67.9 | -97.3 | 0 | 0 | 0 | 109.3 | E61 L78 K79 R80 | E61-Y63 HydrophobicContact CB-CE2 3.8Å; E61-Y63 PolarHBondContact OE2-OH 2.83Å; Y63-L78 HydrophobicContact CD1-CB 4.43Å; Y63-K79 CarbonylContact C-O 3.54Å; Y63-K79 VanDerWaalsContact CA-O 3.31Å; Y63-K79 WeakPolarHBondContact CA-O 3.31Å; Y63-R80 HydrophobicContact CD1-CB 3.92Å; Y63-R80 HydrophobicContact CE1-CB 3.57Å; Y63-R80 HydrophobicContact CE1-CG 4.06Å |
| 64 | E | 88.8 | Confident | 85.6 | Confident | 111 Ų | 111 | 103 Ų | 103 | 52% | 0.519 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 138.8 | 174 | 168.7 | -175.4 | -149.8 | 0 | 0 | 110 | T66 L78 K79 I81 | E64-T66 PolarHBondContact O-N 3.4Å; E64-L78 CarbonylContact O-C 3.6Å; E64-L78 WeakPolarHBondContact O-CA 3.42Å; E64-K79 PolarHBondContact N-O 2.95Å; E64-K79 PolarHBondContact O-N 3.08Å; E64-I81 HydrophobicContact CB-CD1 3.28Å; E64-I81 HydrophobicContact CB-CG1 3.96Å; E64-I81 HydrophobicContact CG-CD1 4.36Å |
| 65 | E | 89.1 | Confident | 85.1 | Confident | 123 Ų | 123 | 103.8 Ų | 103.8 | 58% | 0.575 | 54% | 0.535 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 116.6 | 173.4 | -171.4 | 175.8 | -163.1 | 0 | 0 | 110.3 | S76 L78 | E65-S76 WeakPolarHBondContact OE1-CB 3.34Å; E65-S76 PolarHBondContact OE1-OG 3.17Å; E65-L78 HydrophobicContact CB-CD2 3.99Å; E65-L78 HydrophobicContact CG-CD2 4.48Å |
| 66 | T | 83.3 | Confident | 84.8 | Confident | 42 Ų | 42 | 100.6 Ų | 100.6 | 26% | 0.258 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 125.4 | 174 | 59.7 | 0 | 0 | 0 | 0 | 109.5 | E64 V68 K77 K79 | E64-T66 PolarHBondContact O-N 3.4Å; T66-V68 PolarHBondContact O-N 3.14Å; T66-K77 PolarHBondContact N-O 3.29Å; T66-K77 PolarHBondContact O-N 2.89Å; T66-K77 PolarHBondContact OG1-O 3Å; T66-K79 HydrophobicContact CG2-CB 4.22Å |
| 67 | V | 81.3 | Confident | 84.7 | Confident | 96 Ų | 96 | 104.9 Ų | 104.9 | 58% | 0.582 | 53% | 0.529 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 108.2 | 174.6 | -172.8 | 0 | 0 | 0 | 0 | 108.4 | K74 | V67-K74 HydrophobicContact CG1-CB 4.17Å; V67-K74 HydrophobicContact CG1-CG 4.35Å |
| 68 | V | 75.9 | Confident | 84.6 | Confident | 55 Ų | 55 | 105.4 Ų | 105.4 | 33% | 0.333 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 115.7 | 176.9 | -173.4 | 0 | 0 | 0 | 0 | 108.5 | T66 K70 R75 K77 | T66-V68 PolarHBondContact O-N 3.14Å; V68-K70 HydrophobicContact CG1-CG 4.15Å; V68-K70 PolarHBondContact O-N 2.83Å; V68-R75 PolarHBondContact N-O 2.89Å; V68-R75 PolarHBondContact O-N 2.87Å; V68-K77 HydrophobicContact CG2-CB 4.38Å |
| 69 | T | 75.1 | Confident | 84.5 | Confident | 96 Ų | 96 | 108.1 Ų | 108.1 | 59% | 0.589 | 54% | 0.54 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 108.9 | 170.3 | 49.9 | 0 | 0 | 0 | 0 | 109.3 | K74 | T69-K74 HydrophobicContact CG2-CG 3.93Å |
| 70 | K | 73.4 | Confident | 84.3 | Confident | 153 Ų | 153 | 112 Ų | 112 | 67% | 0.665 | 55% | 0.549 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 125.8 | 166.8 | -79.4 | -170.1 | 174.7 | -170.5 | 0 | 108.9 | V68 G72 R73 | V68-K70 HydrophobicContact CG1-CG 4.15Å; V68-K70 PolarHBondContact O-N 2.83Å; K70-G72 PolarHBondContact O-N 3.49Å; K70-R73 PolarHBondContact N-O 3.45Å; K70-R73 PolarHBondContact O-N 2.94Å |
| 71 | N | 70.9 | Confident | 84.1 | Confident | 173 Ų | 173 | 109 Ų | 109 | 93% | 0.925 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 47.3 | 179.2 | -60.4 | -1 | 0 | 0 | 0 | 113.9 | R73 | N71-R73 PolarHBondContact O-N 2.76Š|
| 72 | G | 77 | Confident | 84 | Confident | 82 Ų | 82 | 112.3 Ų | 112.3 | 85% | 0.845 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.5 | -7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | K70 | K70-G72 PolarHBondContact O-N 3.49Š|
| 73 | R | 75.9 | Confident | 83.8 | Confident | 182 Ų | 182 | 119.3 Ų | 119.3 | 69% | 0.687 | 58% | 0.582 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98.3 | 118.1 | 176.4 | -157.2 | 166.2 | -178.4 | 176.3 | 0.2 | 109.5 | K70 N71 R75 | K70-R73 PolarHBondContact N-O 3.45Å; K70-R73 PolarHBondContact O-N 2.94Å; N71-R73 PolarHBondContact O-N 2.76Å; R73-R75 PolarHBondContact O-N 2.97Å |
| 74 | K | 81.2 | Confident | 83.5 | Confident | 167 Ų | 167 | 119.2 Ų | 119.2 | 73% | 0.726 | 59% | 0.589 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -68.5 | 124.5 | 172.2 | -68.1 | 179.4 | -179 | -177.3 | 0 | 108.3 | V67 T69 | V67-K74 HydrophobicContact CG1-CB 4.17Å; V67-K74 HydrophobicContact CG1-CG 4.35Å; T69-K74 HydrophobicContact CG2-CG 3.93Å |
| 75 | R | 79.3 | Confident | 83.6 | Confident | 164 Ų | 164 | 115.6 Ų | 115.6 | 62% | 0.619 | 57% | 0.573 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -123.4 | 128.7 | 169.8 | -67.8 | -172.4 | 177.8 | -174 | -0.5 | 107.9 | V68 R73 | V68-R75 PolarHBondContact N-O 2.89Å; V68-R75 PolarHBondContact O-N 2.87Å; R73-R75 PolarHBondContact O-N 2.97Å |
| 76 | S | 84.8 | Confident | 83.8 | Confident | 78 Ų | 78 | 114.9 Ų | 114.9 | 55% | 0.545 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.2 | 142.3 | 166.6 | 43.7 | 0 | 0 | 0 | 0 | 110.2 | E65 | E65-S76 WeakPolarHBondContact OE1-CB 3.34Å; E65-S76 PolarHBondContact OE1-OG 3.17Å |
| 77 | K | 88.3 | Confident | 84.3 | Confident | 136 Ų | 136 | 116.8 Ų | 116.8 | 59% | 0.591 | 59% | 0.586 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -138.4 | 126.2 | 174.4 | -177.1 | 176.1 | -178.6 | -179.2 | 0 | 108.7 | T66 V68 | T66-K77 PolarHBondContact N-O 3.29Å; T66-K77 PolarHBondContact O-N 2.89Å; T66-K77 PolarHBondContact OG1-O 3Å; V68-K77 HydrophobicContact CG2-CB 4.38Å |
| 78 | L | 91.8 | Very high | 84.8 | Confident | 116 Ų | 116 | 115 Ų | 115 | 61% | 0.607 | 57% | 0.571 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -74.1 | 131.9 | 169.6 | -63.7 | 176.3 | 0 | 0 | 0 | 109.9 | Y63 E64 E65 | Y63-L78 HydrophobicContact CD1-CB 4.43Å; E64-L78 CarbonylContact O-C 3.6Å; E64-L78 WeakPolarHBondContact O-CA 3.42Å; E65-L78 HydrophobicContact CB-CD2 3.99Å; E65-L78 HydrophobicContact CG-CD2 4.48Å |
| 79 | K | 90.6 | Very high | 85.5 | Confident | 132 Ų | 132 | 113.8 Ų | 113.8 | 57% | 0.574 | 57% | 0.57 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -121.9 | 128.7 | 175.4 | -175.3 | -175.5 | 174.6 | -170.8 | 0 | 108.5 | Y63 E64 T66 I81 | Y63-K79 CarbonylContact C-O 3.54Å; Y63-K79 VanDerWaalsContact CA-O 3.31Å; Y63-K79 WeakPolarHBondContact CA-O 3.31Å; E64-K79 PolarHBondContact N-O 2.95Å; E64-K79 PolarHBondContact O-N 3.08Å; T66-K79 HydrophobicContact CG2-CB 4.22Å; K79-I81 PolarHBondContact O-N 3.3Å |
| 80 | R | 92.1 | Very high | 86.3 | Confident | 110 Ų | 110 | 115.4 Ų | 115.4 | 42% | 0.415 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -63.9 | 131.8 | 175 | -171.3 | 175.8 | 174.9 | 151.1 | 4.2 | 110.3 | E61 F62 Y63 | E61-R80 IonicContact OE1-CZ 3.17Å; E61-R80 IonicContact OE1-NH1 3.9Å; E61-R80 PolarHBondContact OE1-NH1 3.23Å; E61-R80 IonicContact OE1-NH2 2.87Å; E61-R80 PolarHBondContact OE1-NH2 3.14Å; E61-R80 IonicContact OE2-CZ 3.43Å; E61-R80 IonicContact OE2-NE 3.96Å; E61-R80 IonicContact OE2-NH1 3.29Å; E61-R80 PolarHBondContact OE2-NH1 2.85Å; E61-R80 VanDerWaalsContact OE2-NH1 3.16Å; E61-R80 IonicContact OE2-NH2 3.16Å; F62-R80 WeakPolarHBondContact O-CA 3.4Å; Y63-R80 HydrophobicContact CD1-CB 3.92Å; Y63-R80 HydrophobicContact CE1-CB 3.57Å; Y63-R80 HydrophobicContact CE1-CG 4.06Å |
| 81 | I | 90.1 | Very high | 87.1 | Confident | 48 Ų | 48 | 110.2 Ų | 110.2 | 25% | 0.246 | 55% | 0.554 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.3 | 138.6 | 172.9 | -61.6 | 167.9 | 0 | 0 | 0 | 109 | F62 E64 K79 K83 | F62-I81 HydrophobicContact CB-CB 4.44Å; F62-I81 PolarHBondContact O-N 2.81Å; E64-I81 HydrophobicContact CB-CD1 3.28Å; E64-I81 HydrophobicContact CB-CG1 3.96Å; E64-I81 HydrophobicContact CG-CD1 4.36Å; K79-I81 PolarHBondContact O-N 3.3Å; I81-K83 WeakPolarHBondContact CG2-O 3.45Å |
| 82 | Q | 88.8 | Confident | 88.1 | Confident | 153 Ų | 153 | 110.5 Ų | 110.5 | 72% | 0.715 | 55% | 0.547 | S | S | * | . | trans | -131.2 | 0.9 | 170.8 | -64.8 | -178.2 | -9.4 | 0 | 0 | 111.9 | ||||
| 83 | K | 89.3 | Confident | 88.6 | Confident | 169 Ų | 169 | 109 Ų | 109 | 74% | 0.735 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -100.4 | 153.3 | -179.8 | -61.6 | -174.7 | 178.3 | -173.3 | 0 | 108.7 | I81 L85 | I81-K83 WeakPolarHBondContact CG2-O 3.45Å; K83-L85 PolarHBondContact O-N 3.08Å |
| 84 | N | 86.6 | Confident | 89.2 | Confident | 117 Ų | 117 | 107.9 Ų | 107.9 | 63% | 0.626 | 53% | 0.527 | S | S | * | . | S | Bend | trans | 59.3 | 15.3 | 177.5 | -51.6 | -8.6 | 0 | 0 | 0 | 115.1 | E54 | E54-N84 HydrophobicContact CG-CB 4.4Å; E54-N84 WeakPolarHBondContact OE1-CB 3.49Å; E54-N84 PolarHBondContact OE1-ND2 3.06Å |
| 85 | L | 91.3 | Very high | 89.4 | Confident | 35 Ų | 35 | 107 Ų | 107 | 18% | 0.183 | 53% | 0.525 | C | S | . | . | P | Polyproline II helix | trans | -90.4 | 129.9 | 175.3 | -64 | -177.5 | 0 | 0 | 0 | 110 | Y51 F52 D53 F62 K83 | Y51-L85 HydrophobicContact CD1-CB 3.96Å; Y51-L85 HydrophobicContact CG-CB 4.24Å; F52-L85 CarbonylContact O-C 3.58Å; F52-L85 WeakPolarHBondContact O-CA 3.25Å; D53-L85 HydrophobicContact CB-CD2 3.89Å; F62-L85 HydrophobicContact CB-CD1 4.43Å; F62-L85 HydrophobicContact CB-CD2 4.17Å; F62-L85 HydrophobicContact CD2-CD1 3.69Å; F62-L85 HydrophobicContact CD2-CD2 3.4Å; F62-L85 HydrophobicContact CD2-CG 4.18Å; F62-L85 HydrophobicContact CE2-CD1 4.47Å; F62-L85 HydrophobicContact CE2-CD2 3.89Å; F62-L85 HydrophobicContact CG-CD1 4.45Å; F62-L85 HydrophobicContact CG-CD2 3.8Å; K83-L85 PolarHBondContact O-N 3.08Å |
| 86 | I | 92.7 | Very high | 89.7 | Confident | 109 Ų | 109 | 102.1 Ų | 102.1 | 56% | 0.559 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 118 | 178.9 | -59.2 | 169.6 | 0 | 0 | 0 | 108.2 | Y51 F52 Q88 | Y51-I86 CarbonylContact C-O 3.59Å; Y51-I86 VanDerWaalsContact CA-O 3.27Å; Y51-I86 WeakPolarHBondContact CA-O 3.48Å; F52-I86 HydrophobicContact CB-CB 4.33Å; F52-I86 PolarHBondContact N-O 2.98Å; F52-I86 PolarHBondContact O-N 3.47Å; I86-Q88 PolarHBondContact O-N 3.08Å |
| 87 | P | 93.7 | Very high | 89.8 | Confident | 82 Ų | 82 | 101.7 Ų | 101.7 | 53% | 0.532 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 136.4 | 178.8 | 27 | -33.2 | 0 | 0 | 0 | 110.7 | Y51 G89 | Y51-P87 HydrophobicContact CD1-CB 3.94Å; Y51-P87 HydrophobicContact CE1-CB 3.78Å; P87-G89 PolarHBondContact O-N 3.45Å |
| 88 | Q | 92.2 | Very high | 89.8 | Confident | 59 Ų | 59 | 98.8 Ų | 98.8 | 28% | 0.276 | 50% | 0.501 | S | S | . | . | trans | -62.2 | -28.3 | 175 | -168.9 | -174.2 | 21.6 | 0 | 0 | 111.9 | S48 L50 F52 L58 I86 V91 | S48-Q88 VanDerWaalsContact CB-OE1 3.27Å; S48-Q88 PolarHBondContact OG-OE1 2.73Å; L50-Q88 HydrophobicContact CB-CB 4.27Å; L50-Q88 WeakPolarHBondContact O-CB 3.38Å; L50-Q88 PolarHBondContact O-N 3.45Å; F52-Q88 HydrophobicContact CE2-CB 4.16Å; F52-Q88 HydrophobicContact CE2-CG 3.98Å; F52-Q88 HydrophobicContact CZ-CG 4.45Å; L58-Q88 HydrophobicContact CD1-CB 4.24Å; L58-Q88 HydrophobicContact CD1-CG 4.36Å; I86-Q88 PolarHBondContact O-N 3.08Å; Q88-V91 VanDerWaalsContact CD-CG2 3.41Å; Q88-V91 HydrophobicContact CG-CG2 3.77Å | ||
| 89 | G | 91.1 | Very high | 89.4 | Confident | 29 Ų | 29 | 95.9 Ų | 95.9 | 30% | 0.299 | 49% | 0.485 | S | S | . | . | trans | 79.5 | -135.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S48 P87 | S48-G89 WeakPolarHBondContact CB-O 3.27Å; S48-G89 PolarHBondContact N-O 2.71Å; P87-G89 PolarHBondContact O-N 3.45Å | ||
| 90 | I | 92 | Very high | 88.9 | Confident | 129 Ų | 129 | 96.1 Ų | 96.1 | 66% | 0.662 | 50% | 0.497 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 119.3 | -178.7 | -59.7 | 176.1 | 0 | 0 | 0 | 108.8 | T45 R46 | T45-I90 HydrophobicContact CG2-CG2 4.1Å; R46-I90 WeakPolarHBondContact O-CA 3.49Å |
| 91 | V | 90.3 | Very high | 88.5 | Confident | 45 Ų | 45 | 96.7 Ų | 96.7 | 27% | 0.273 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 135.1 | -178.9 | -179.1 | 0 | 0 | 0 | 0 | 109.2 | T45 R46 Q88 | T45-V91 CarbonylContact C-O 3.51Å; T45-V91 VanDerWaalsContact CA-O 3.27Å; T45-V91 WeakPolarHBondContact CA-O 2.8Å; R46-V91 PolarHBondContact N-O 2.92Å; R46-V91 PolarHBondContact O-N 3.03Å; Q88-V91 VanDerWaalsContact CD-CG2 3.41Å; Q88-V91 HydrophobicContact CG-CG2 3.77Å |
| 92 | K | 91.3 | Very high | 87.9 | Confident | 178 Ų | 178 | 96 Ų | 96 | 77% | 0.774 | 50% | 0.503 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 134.8 | 171.5 | -68.7 | -177.8 | 179.7 | 178.5 | 0 | 109.2 | F44 T45 | F44-K92 WeakPolarHBondContact O-CA 3.42Å; T45-K92 HydrophobicContact CG2-CG 4.33Å |
| 93 | L | 87.3 | Confident | 87.4 | Confident | 51 Ų | 51 | 94.3 Ų | 94.3 | 27% | 0.267 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 136.2 | 176.5 | -60.7 | 171.3 | 0 | 0 | 0 | 108.8 | F44 R46 H95 C97 | F44-L93 PolarHBondContact O-N 2.81Å; R46-L93 HydrophobicContact CB-CD1 4.24Å; R46-L93 HydrophobicContact CB-CD2 3.95Å; R46-L93 HydrophobicContact CB-CG 4.25Å; L93-H95 WeakPolarHBondContact CB-O 3.34Å; L93-H95 PolarHBondContact O-N 2.82Å; L93-C97 HydrophobicContact CD1-CB 4.29Å |
| 94 | D | 88 | Confident | 86.9 | Confident | 158 Ų | 158 | 89.7 Ų | 89.7 | 85% | 0.845 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.2 | -34.8 | 175.2 | -61.2 | -34.3 | 0 | 0 | 0 | 111.3 | ||
| 95 | H | 86.3 | Confident | 86.6 | Confident | 149 Ų | 149 | 90.2 Ų | 90.2 | 69% | 0.69 | 50% | 0.495 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 134.8 | 177.9 | -58.4 | 83.2 | 0 | 0 | 0 | 109.7 | L93 C97 | L93-H95 WeakPolarHBondContact CB-O 3.34Å; L93-H95 PolarHBondContact O-N 2.82Å; H95-C97 PolarHBondContact O-N 2.83Å |
| 96 | P | 86.6 | Confident | 86 | Confident | 62 Ų | 62 | 95 Ų | 95 | 40% | 0.403 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 137 | 178 | 25.2 | -31.8 | 0 | 0 | 0 | 111.1 | F42 V43 F44 | F42-P96 HydrophobicContact CB-CB 4.05Å; F42-P96 HydrophobicContact CD1-CB 4.12Å; F42-P96 HydrophobicContact CD1-CG 4.41Å; F42-P96 HydrophobicContact CG-CB 4.44Å; V43-P96 WeakPolarHBondContact O-CA 3.1Å; F44-P96 HydrophobicContact CD1-CB 3.96Å; F44-P96 HydrophobicContact CE1-CB 3.67Å; F44-P96 HydrophobicContact CE1-CG 4.03Å; F44-P96 HydrophobicContact CZ-CB 3.99Å; F44-P96 HydrophobicContact CZ-CG 4.47Å |
| 97 | C | 86.6 | Confident | 85.3 | Confident | 69 Ų | 69 | 95.3 Ų | 95.3 | 47% | 0.466 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 154.1 | 171.9 | -66.4 | 0 | 0 | 0 | 0 | 111 | F42 V43 L93 H95 | F42-C97 CarbonylContact C-O 3.6Å; V43-C97 PolarHBondContact N-O 2.81Å; V43-C97 PolarHBondContact O-N 2.78Å; L93-C97 HydrophobicContact CD1-CB 4.29Å; H95-C97 PolarHBondContact O-N 2.83Å |
| 98 | I | 86.8 | Confident | 84.7 | Confident | 74 Ų | 74 | 101 Ų | 101 | 38% | 0.379 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.5 | 134.2 | 175.4 | -60.6 | 173.5 | 0 | 0 | 0 | 109.6 | P41 I104 L106 | P41-I98 CarbonylContact O-C 3.53Å; P41-I98 WeakPolarHBondContact O-CA 3.33Å; I98-I104 HydrophobicContact CG2-CD1 3.68Å; I98-I104 HydrophobicContact CG2-CG1 4.42Å; I98-L106 HydrophobicContact CD1-CD1 4.03Å; I98-L106 HydrophobicContact CD1-CD2 4.31Å; I98-L106 HydrophobicContact CD1-CG 4.34Å |
| 99 | H | 84.3 | Confident | 83 | Confident | 56 Ų | 56 | 105.2 Ų | 105.2 | 26% | 0.259 | 61% | 0.61 | S | S | . | * | P | Polyproline II helix | trans | -69.8 | 130 | 176.4 | -168.8 | -74.1 | 0 | 0 | 0 | 110.8 | P41 V43 D101 F102 | P41-H99 PolarHBondContact O-N 2.89Å; V43-H99 HydrophobicContact CG2-CB 3.78Å; H99-D101 IonicContact CE1-OD2 3.79Å; H99-D101 PolarHBondContact CE1-OD2 3.04Å; H99-D101 VanDerWaalsContact CE1-OD2 3.29Å; H99-D101 PolarHBondContact ND1-N 3.13Å; H99-D101 IonicContact ND1-OD2 2.89Å; H99-D101 PolarHBondContact O-N 3.2Å; H99-D101 VanDerWaalsContact O-N 3.14Å; H99-F102 HydrophobicContact CB-CD2 3.67Å; H99-F102 HydrophobicContact CB-CE2 4.27Å; H99-F102 AromaticContact CG-CD2 3.73Å; H99-F102 AromaticContact CG-CE2 3.99Å; H99-F102 AromaticContact ND1-CD2 3.51Å; H99-F102 AromaticContact ND1-CE2 3.76Å; H99-F102 PolarHBondContact O-N 3.02Å |
| 100 | V | 80.4 | Confident | 82.6 | Confident | 136 Ų | 136 | 109 Ų | 109 | 82% | 0.824 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | -30.7 | -171.7 | -63.9 | 0 | 0 | 0 | 0 | 114.5 | F102 | V100-F102 VanDerWaalsContact C-N 3.29Å; V100-F102 PolarHBondContact O-N 3.09Å |
| 101 | D | 82.9 | Confident | 82.1 | Confident | 122 Ų | 122 | 107.9 Ų | 107.9 | 65% | 0.652 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -3 | 179.9 | -61.1 | -31.9 | 0 | 0 | 0 | 114.2 | H99 P103 | H99-D101 IonicContact CE1-OD2 3.79Å; H99-D101 PolarHBondContact CE1-OD2 3.04Å; H99-D101 VanDerWaalsContact CE1-OD2 3.29Å; H99-D101 PolarHBondContact ND1-N 3.13Å; H99-D101 IonicContact ND1-OD2 2.89Å; H99-D101 PolarHBondContact O-N 3.2Å; H99-D101 VanDerWaalsContact O-N 3.14Å; D101-P103 VanDerWaalsContact O-CD 3.28Å; D101-P103 WeakPolarHBondContact O-CD 3.49Å |
| 102 | F | 78.4 | Confident | 81.7 | Confident | 33 Ų | 33 | 111.4 Ų | 111.4 | 15% | 0.145 | 64% | 0.643 | C | S | . | * | S | Bend | trans | -109 | 97.4 | 179.3 | -69.1 | -95.5 | 0 | 0 | 0 | 109.4 | S36 A39 P41 H99 V100 I104 | S36-F102 WeakPolarHBondContact OG-CE1 3.07Å; S36-F102 VanDerWaalsContact OG-CZ 3.22Å; S36-F102 WeakPolarHBondContact OG-CZ 3.22Å; A39-F102 HydrophobicContact CB-CE2 3.67Å; A39-F102 HydrophobicContact CB-CZ 3.72Å; A39-F102 WeakPolarHBondContact O-CZ 3.12Å; P41-F102 HydrophobicContact CB-CB 4.43Å; H99-F102 HydrophobicContact CB-CD2 3.67Å; H99-F102 HydrophobicContact CB-CE2 4.27Å; H99-F102 AromaticContact CG-CD2 3.73Å; H99-F102 AromaticContact CG-CE2 3.99Å; H99-F102 AromaticContact ND1-CD2 3.51Å; H99-F102 AromaticContact ND1-CE2 3.76Å; H99-F102 PolarHBondContact O-N 3.02Å; V100-F102 VanDerWaalsContact C-N 3.29Å; V100-F102 PolarHBondContact O-N 3.09Å; F102-I104 HydrophobicContact CB-CD1 4.16Å; F102-I104 HydrophobicContact CB-CG1 4.2Å; F102-I104 WeakPolarHBondContact O-CG1 3.28Å; F102-I104 PolarHBondContact O-N 3.44Å; F102-I104 VanDerWaalsContact O-N 3.08Å |
| 103 | P | 78.8 | Confident | 81.1 | Confident | 119 Ų | 119 | 107.5 Ų | 107.5 | 77% | 0.773 | 64% | 0.635 | S | S | * | * | trans | -66.8 | 109.8 | 171.7 | 27.3 | -32.5 | 0 | 0 | 0 | 108.8 | D101 | D101-P103 VanDerWaalsContact O-CD 3.28Å; D101-P103 WeakPolarHBondContact O-CD 3.49Å | ||
| 104 | I | 77.6 | Confident | 80.7 | Confident | 71 Ų | 71 | 111.1 Ų | 111.1 | 36% | 0.364 | 66% | 0.658 | S | S | . | * | trans | -121.4 | 133.9 | -179.3 | -59.3 | 168.2 | 0 | 0 | 0 | 108.5 | P41 I98 F102 L106 | P41-I104 HydrophobicContact CB-CD1 3.2Å; P41-I104 HydrophobicContact CB-CG1 4.44Å; P41-I104 HydrophobicContact CG-CD1 4.26Å; I98-I104 HydrophobicContact CG2-CD1 3.68Å; I98-I104 HydrophobicContact CG2-CG1 4.42Å; F102-I104 HydrophobicContact CB-CD1 4.16Å; F102-I104 HydrophobicContact CB-CG1 4.2Å; F102-I104 WeakPolarHBondContact O-CG1 3.28Å; F102-I104 PolarHBondContact O-N 3.44Å; F102-I104 VanDerWaalsContact O-N 3.08Å; I104-L106 HydrophobicContact CG2-CD2 4.27Å | ||
| 105 | V | 79.6 | Confident | 80.3 | Confident | 128 Ų | 128 | 107.9 Ų | 107.9 | 78% | 0.776 | 65% | 0.646 | S | S | * | * | trans | -95.8 | 121.8 | 170.8 | -178 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 106 | L | 80.6 | Confident | 79.8 | Confident | 135 Ų | 135 | 105 Ų | 105 | 71% | 0.707 | 64% | 0.642 | S | S | * | * | trans | -91.3 | 126.1 | 172.5 | -61.3 | 175.6 | 0 | 0 | 0 | 108.5 | I98 I104 | I98-L106 HydrophobicContact CD1-CD1 4.03Å; I98-L106 HydrophobicContact CD1-CD2 4.31Å; I98-L106 HydrophobicContact CD1-CG 4.34Å; I104-L106 HydrophobicContact CG2-CD2 4.27Å | ||
| 107 | C | 77.6 | Confident | 79.3 | Confident | 117 Ų | 117 | 108.3 Ų | 108.3 | 79% | 0.791 | 66% | 0.661 | S | S | * | * | trans | -105.8 | 134.2 | 173.3 | -59.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 108 | E | 80.2 | Confident | 78.7 | Confident | 201 Ų | 201 | 111.6 Ų | 111.6 | 94% | 0.939 | 68% | 0.677 | S | S | * | * | trans | -77.9 | 141.8 | 166.4 | -171.4 | 175.4 | -175.1 | 0 | 0 | 108.8 | ||||
| 109 | G | 57.6 | Low | 78 | Confident | 147 Ų | 147 | 115 Ų | 115 | 100% | 1.515 | 70% | 0.704 | S | S | * | * | trans | -126.7 | 0 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 |
Retrieved 109 of 109 residues in 24.2 ms
(Link to these results)