| 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 | 39.9 | Very low | 39.3 | Very low | 247 Ų | 247 | 160.3 Ų | 160.3 | 100% | 1.217 | 89% | 0.887 | S | S | * | * | 0 | 151.4 | 0 | -63.2 | -176.3 | -177.3 | 0 | 0 | 108.6 | |||||
| 2 | A | 36.1 | Very low | 39.4 | Very low | 100 Ų | 100 | 152.1 Ų | 152.1 | 83% | 0.826 | 87% | 0.867 | S | S | * | * | trans | -75.5 | 168.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 3 | A | 34.8 | Very low | 39.6 | Very low | 100 Ų | 100 | 145.8 Ų | 145.8 | 83% | 0.826 | 86% | 0.855 | S | S | * | * | cis | -139.9 | -161.6 | 6.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 4 | A | 38.5 | Very low | 40.4 | Very low | 97 Ų | 97 | 143.5 Ų | 143.5 | 80% | 0.802 | 84% | 0.844 | S | S | * | * | cis | -153.4 | -158.5 | 8.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 5 | K | 43.8 | Very low | 41 | Very low | 194 Ų | 194 | 149.7 Ų | 149.7 | 84% | 0.843 | 85% | 0.847 | S | S | * | * | trans | -108 | 146.5 | 176 | -63 | 165.9 | 178.9 | 168.1 | 0 | 111.7 | ||||
| 6 | K | 37.1 | Very low | 41.4 | Very low | 215 Ų | 215 | 151.3 Ų | 151.3 | 94% | 0.935 | 84% | 0.842 | S | S | * | * | trans | -137.5 | 117.3 | 136.3 | -73.3 | -165.5 | 178.1 | -179.5 | 0 | 109.7 | ||||
| 7 | R | 39.3 | Very low | 41.5 | Very low | 240 Ų | 240 | 148.8 Ų | 148.8 | 91% | 0.906 | 83% | 0.834 | S | S | * | * | trans | -87.2 | 130.7 | 167.7 | -78.2 | -179.2 | 165.4 | -168.6 | -5 | 107.8 | ||||
| 8 | C | 36.2 | Very low | 42 | Very low | 138 Ų | 138 | 151.8 Ų | 151.8 | 93% | 0.932 | 84% | 0.84 | S | S | * | * | trans | -88.8 | 120.5 | 166.3 | -161.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 9 | A | 40.4 | Very low | 42 | Very low | 90 Ų | 90 | 153 Ų | 153 | 74% | 0.744 | 84% | 0.839 | S | S | * | * | trans | -111.9 | 104.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | V11 | A9-V11 PolarHBondContact O-N 2.91Š| ||
| 10 | K | 44.8 | Very low | 42.2 | Very low | 201 Ų | 201 | 153.4 Ų | 153.4 | 87% | 0.874 | 84% | 0.839 | S | S | * | * | trans | 28.7 | 91.6 | 146.9 | -160.7 | 159.6 | -177.5 | 170.9 | 0 | 116.6 | G12 | K10-G12 PolarHBondContact O-N 3.24Š| ||
| 11 | V | 41.9 | Very low | 42.4 | Very low | 141 Ų | 141 | 151.9 Ų | 151.9 | 86% | 0.855 | 84% | 0.837 | S | S | * | * | trans | -58 | 121.6 | 157.6 | 164.1 | 0 | 0 | 0 | 0 | 108.4 | A9 G13 | A9-V11 PolarHBondContact O-N 2.91Å; V11-G13 PolarHBondContact O-N 3.2Å | ||
| 12 | G | 39.6 | Very low | 42.5 | Very low | 62 Ų | 62 | 145.2 Ų | 145.2 | 64% | 0.639 | 81% | 0.814 | S | S | * | * | trans | -75.5 | 116.6 | 169 | 0 | 0 | 0 | 0 | 0 | 109.4 | K10 V14 | K10-G12 PolarHBondContact O-N 3.24Å; G12-V14 PolarHBondContact O-N 3.38Å | ||
| 13 | G | 42.7 | Very low | 42.9 | Very low | 70 Ų | 70 | 147.1 Ų | 147.1 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | trans | -71.2 | 114.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | V11 R15 | V11-G13 PolarHBondContact O-N 3.2Å; G13-R15 PolarHBondContact O-N 3.27Å | ||
| 14 | V | 50 | Low | 43.5 | Very low | 114 Ų | 114 | 145.2 Ų | 145.2 | 69% | 0.691 | 81% | 0.806 | S | S | * | * | trans | -71.4 | 109.3 | 168.3 | 179.7 | 0 | 0 | 0 | 0 | 107.4 | G12 F16 | G12-V14 PolarHBondContact O-N 3.38Å; V14-F16 HydrophobicContact CB-CE2 4.46Å; V14-F16 HydrophobicContact CG1-CD2 4.21Å; V14-F16 HydrophobicContact CG1-CE1 4.27Å; V14-F16 HydrophobicContact CG1-CE2 3.8Å; V14-F16 HydrophobicContact CG1-CZ 3.83Å | ||
| 15 | R | 49.9 | Very low | 43.8 | Very low | 237 Ų | 237 | 145.3 Ų | 145.3 | 89% | 0.894 | 81% | 0.806 | S | S | * | * | trans | -88.5 | 113.1 | 166.1 | -75 | -176.3 | 174.1 | 178.1 | -3.5 | 107.9 | G13 | G13-R15 PolarHBondContact O-N 3.27Š| ||
| 16 | F | 47.6 | Very low | 43.9 | Very low | 175 Ų | 175 | 140.3 Ų | 140.3 | 77% | 0.768 | 79% | 0.792 | S | S | * | * | trans | -74.1 | 135.6 | 162.8 | -63.1 | -85.5 | 0 | 0 | 0 | 108.3 | V14 | V14-F16 HydrophobicContact CB-CE2 4.46Å; V14-F16 HydrophobicContact CG1-CD2 4.21Å; V14-F16 HydrophobicContact CG1-CE1 4.27Å; V14-F16 HydrophobicContact CG1-CE2 3.8Å; V14-F16 HydrophobicContact CG1-CZ 3.83Å | ||
| 17 | P | 43.2 | Very low | 44.8 | Very low | 109 Ų | 109 | 135.9 Ų | 135.9 | 71% | 0.708 | 79% | 0.789 | S | S | * | * | trans | -68.7 | 134 | 170.1 | 29.1 | -32.2 | 0 | 0 | 0 | 109.5 | E19 | P17-E19 PolarHBondContact O-N 3.47Š| ||
| 18 | E | 50.5 | Low | 45.5 | Very low | 202 Ų | 202 | 131.4 Ų | 131.4 | 94% | 0.944 | 78% | 0.777 | S | S | * | * | trans | -82.7 | 92.5 | 173.2 | -169.4 | 170.1 | 110.3 | 0 | 0 | 108.2 | ||||
| 19 | E | 41.8 | Very low | 47 | Very low | 175 Ų | 175 | 130.1 Ų | 130.1 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -84.8 | 149.2 | 167.2 | -85.3 | -173.3 | 100 | 0 | 0 | 111.4 | P17 | P17-E19 PolarHBondContact O-N 3.47Š| ||
| 20 | L | 46.8 | Very low | 47.9 | Very low | 161 Ų | 161 | 134.8 Ų | 134.8 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | trans | -59 | 158.5 | -166 | -73.6 | 156.9 | 0 | 0 | 0 | 114.1 | S22 | L20-S22 PolarHBondContact O-N 3.22Š| ||
| 21 | P | 46.7 | Very low | 48.4 | Very low | 121 Ų | 121 | 132.1 Ų | 132.1 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | trans | -66.3 | 102.3 | -174 | 27.4 | -35.6 | 0 | 0 | 0 | 111.7 | V23 | P21-V23 PolarHBondContact O-N 3.31Š| ||
| 22 | S | 41.5 | Very low | 49.2 | Very low | 107 Ų | 107 | 131.5 Ų | 131.5 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | trans | -64.3 | 124.6 | 163.7 | -174.2 | 0 | 0 | 0 | 0 | 109.1 | L20 G24 | L20-S22 PolarHBondContact O-N 3.22Å; S22-G24 PolarHBondContact O-N 3.14Å | ||
| 23 | V | 43.4 | Very low | 49.6 | Very low | 141 Ų | 141 | 137.9 Ų | 137.9 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | trans | -63.5 | 117.1 | -177.7 | 173.2 | 0 | 0 | 0 | 0 | 109.9 | P21 A25 | P21-V23 PolarHBondContact O-N 3.31Å; V23-A25 PolarHBondContact O-N 2.97Å | ||
| 24 | G | 47.1 | Very low | 50.1 | Low | 60 Ų | 60 | 141.9 Ų | 141.9 | 62% | 0.619 | 76% | 0.762 | S | S | * | * | trans | 53.4 | 49.6 | 149.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | S22 T26 | S22-G24 PolarHBondContact O-N 3.14Å; G24-T26 PolarHBondContact O-N 3.07Å; G24-T26 PolarHBondContact O-OG1 3.13Å | ||
| 25 | A | 44.9 | Very low | 50.3 | Low | 98 Ų | 98 | 141.3 Ų | 141.3 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | trans | -75.4 | 56 | 163.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V23 | V23-A25 PolarHBondContact O-N 2.97Š| ||
| 26 | T | 46.9 | Very low | 50.6 | Low | 90 Ų | 90 | 136 Ų | 136 | 55% | 0.552 | 74% | 0.74 | S | S | * | * | trans | -59.4 | 134.5 | 157.5 | 31.5 | 0 | 0 | 0 | 0 | 107.7 | G24 H28 | G24-T26 PolarHBondContact O-N 3.07Å; G24-T26 PolarHBondContact O-OG1 3.13Å; T26-H28 WeakPolarHBondContact CB-NE2 3.38Å; T26-H28 PolarHBondContact O-N 3.23Å; T26-H28 PolarHBondContact OG1-CD2 2.83Å; T26-H28 PolarHBondContact OG1-NE2 2.96Å | ||
| 27 | S | 55.3 | Low | 51.2 | Low | 122 Ų | 122 | 131.6 Ų | 131.6 | 85% | 0.853 | 72% | 0.724 | S | S | * | * | trans | -73.9 | 64.9 | -179.8 | 59.5 | 0 | 0 | 0 | 0 | 111.1 | V29 | S27-V29 PolarHBondContact O-N 2.75Š| ||
| 28 | H | 54.2 | Low | 53.1 | Low | 145 Ų | 145 | 130.5 Ų | 130.5 | 67% | 0.671 | 72% | 0.72 | S | S | * | * | trans | -75.2 | 102.8 | 170.7 | -66.7 | -59 | 0 | 0 | 0 | 108.4 | T26 H30 | T26-H28 WeakPolarHBondContact CB-NE2 3.38Å; T26-H28 PolarHBondContact O-N 3.23Å; T26-H28 PolarHBondContact OG1-CD2 2.83Å; T26-H28 PolarHBondContact OG1-NE2 2.96Å; H28-H30 PolarHBondContact O-N 3.43Å; H28-H30 VanDerWaalsContact O-N 3.13Å | ||
| 29 | V | 68.5 | Low | 55 | Low | 111 Ų | 111 | 123.6 Ų | 123.6 | 67% | 0.673 | 69% | 0.691 | S | S | * | * | trans | -59.8 | 112.5 | 159 | -77 | 0 | 0 | 0 | 0 | 107.7 | S27 F31 | S27-V29 PolarHBondContact O-N 2.75Å; V29-F31 HydrophobicContact CB-CE2 4.41Å; V29-F31 HydrophobicContact CG2-CD2 4.19Å; V29-F31 HydrophobicContact CG2-CE2 3.52Å; V29-F31 HydrophobicContact CG2-CZ 4.01Å; V29-F31 PolarHBondContact O-N 3.47Å; V29-F31 VanDerWaalsContact O-N 3.1Å | ||
| 30 | H | 59.4 | Low | 57.5 | Low | 188 Ų | 188 | 115.9 Ų | 115.9 | 87% | 0.87 | 66% | 0.656 | S | S | * | * | trans | -71.4 | 102.9 | 170.9 | -113.2 | -82.8 | 0 | 0 | 0 | 107.4 | H28 D32 | H28-H30 PolarHBondContact O-N 3.43Å; H28-H30 VanDerWaalsContact O-N 3.13Å; H30-D32 PolarHBondContact O-N 2.91Å | ||
| 31 | F | 54 | Low | 59.8 | Low | 146 Ų | 146 | 111.4 Ų | 111.4 | 64% | 0.64 | 63% | 0.631 | S | S | * | * | trans | -73 | 120.5 | 163 | -68.9 | -82.8 | 0 | 0 | 0 | 107.4 | V29 E33 L35 | V29-F31 HydrophobicContact CB-CE2 4.41Å; V29-F31 HydrophobicContact CG2-CD2 4.19Å; V29-F31 HydrophobicContact CG2-CE2 3.52Å; V29-F31 HydrophobicContact CG2-CZ 4.01Å; V29-F31 PolarHBondContact O-N 3.47Å; V29-F31 VanDerWaalsContact O-N 3.1Å; F31-E33 PolarHBondContact O-N 3.47Å; F31-L35 HydrophobicContact CD1-CD2 4.22Å | ||
| 32 | D | 58.8 | Low | 62.2 | Low | 128 Ų | 128 | 107.8 Ų | 107.8 | 68% | 0.684 | 61% | 0.607 | S | S | * | * | trans | -66.1 | 128.8 | 166 | -150.2 | -62.1 | 0 | 0 | 0 | 107 | H30 K34 | H30-D32 PolarHBondContact O-N 2.91Å; D32-K34 PolarHBondContact O-N 3.5Å | ||
| 33 | E | 49.4 | Very low | 64.8 | Low | 196 Ų | 196 | 106 Ų | 106 | 92% | 0.916 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -73.3 | 21.8 | -167.3 | -155.2 | 176 | 102.3 | 0 | 0 | 113.3 | F31 | F31-E33 PolarHBondContact O-N 3.47Š|
| 34 | K | 51.8 | Low | 67.3 | Low | 153 Ų | 153 | 104.4 Ų | 104.4 | 67% | 0.665 | 58% | 0.576 | S | S | * | * | trans | -115.2 | 59.4 | 174.8 | -63.7 | -178.3 | -178.9 | 177.7 | 0 | 109.9 | D32 H36 | D32-K34 PolarHBondContact O-N 3.5Å; K34-H36 PolarHBondContact O-CD2 3.28Å; K34-H36 PolarHBondContact O-N 2.81Å | ||
| 35 | L | 54.3 | Low | 69.6 | Low | 102 Ų | 102 | 104.1 Ų | 104.1 | 53% | 0.534 | 56% | 0.559 | S | S | . | * | trans | -68.9 | 84.8 | 173.2 | -65.6 | -179.5 | 0 | 0 | 0 | 110.2 | F31 D37 | F31-L35 HydrophobicContact CD1-CD2 4.22Å; L35-D37 PolarHBondContact O-N 2.66Å | ||
| 36 | H | 55.8 | Low | 71.8 | Confident | 126 Ų | 126 | 109.6 Ų | 109.6 | 58% | 0.583 | 57% | 0.567 | S | S | * | * | trans | -74.1 | 1.1 | 163.1 | -65.7 | -77.9 | 0 | 0 | 0 | 112.1 | K34 S38 V39 | K34-H36 PolarHBondContact O-CD2 3.28Å; K34-H36 PolarHBondContact O-N 2.81Å; H36-S38 PolarHBondContact O-N 2.84Å; H36-V39 WeakPolarHBondContact O-CG1 3.3Å; H36-V39 PolarHBondContact O-N 3.23Å | ||
| 37 | D | 61.6 | Low | 73.8 | Confident | 82 Ų | 82 | 109.5 Ų | 109.5 | 44% | 0.439 | 56% | 0.564 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.8 | 9.2 | 178.2 | -71.1 | -27.6 | 0 | 0 | 0 | 115.2 | L35 L151 | L35-D37 PolarHBondContact O-N 2.66Å; D37-L151 WeakPolarHBondContact O-CD2 3.46Å |
| 38 | S | 82.4 | Confident | 75.5 | Confident | 87 Ų | 87 | 104.8 Ų | 104.8 | 61% | 0.608 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -11.8 | 169.2 | -61 | 0 | 0 | 0 | 0 | 113.3 | H36 E152 | H36-S38 PolarHBondContact O-N 2.84Å; S38-E152 WeakPolarHBondContact O-CB 3.25Å; S38-E152 PolarHBondContact O-N 2.77Å |
| 39 | V | 91.1 | Very high | 77.5 | Confident | 57 Ų | 57 | 99 Ų | 99 | 35% | 0.345 | 51% | 0.508 | S | S | . | . | B | Isolated β-bridge | trans | -130 | 151.6 | -176.6 | 66.3 | 0 | 0 | 0 | 0 | 111.8 | H36 M41 E152 | H36-V39 WeakPolarHBondContact O-CG1 3.3Å; H36-V39 PolarHBondContact O-N 3.23Å; V39-M41 PolarHBondContact O-N 3.12Å; V39-E152 HydrophobicContact CB-CB 4.15Å; V39-E152 HydrophobicContact CG2-CB 4.14Å; V39-E152 HydrophobicContact CG2-CG 4.38Å |
| 40 | V | 94.2 | Very high | 78.9 | Confident | 12 Ų | 12 | 93.7 Ų | 93.7 | 7% | 0.073 | 48% | 0.476 | C | S | . | . | P | Polyproline II helix | trans | -52.6 | 122.7 | 172.1 | 172.1 | 0 | 0 | 0 | 0 | 110.4 | V52 V54 I65 F67 L151 E152 V154 | V40-V52 HydrophobicContact CG1-CG1 3.38Å; V40-V54 HydrophobicContact CG1-CG1 4.11Å; V40-V54 HydrophobicContact CG2-CG1 4.28Å; V40-I65 HydrophobicContact CG2-CG2 4.48Å; V40-F67 HydrophobicContact CG1-CB 3.99Å; V40-L151 HydrophobicContact CG2-CB 4.27Å; V40-E152 WeakPolarHBondContact CG2-O 3.46Å; V40-E152 PolarHBondContact N-O 2.76Å; V40-V154 HydrophobicContact CG2-CG2 3.52Å |
| 41 | M | 95.4 | Very high | 80.7 | Confident | 67 Ų | 67 | 86 Ų | 86 | 33% | 0.33 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 117.9 | 179.4 | -70 | -174.7 | -84.7 | 0 | 0 | 110.8 | V39 V52 K53 | V39-M41 PolarHBondContact O-N 3.12Å; M41-V52 CarbonylContact O-C 3.53Å; M41-V52 WeakPolarHBondContact O-CA 3.47Å; M41-K53 HydrophobicContact CB-CB 4.29Å; M41-K53 HydrophobicContact CE-CB 4.4Å; M41-K53 HydrophobicContact CE-CD 4.27Å; M41-K53 PolarHBondContact N-O 3.1Å; M41-K53 VanDerWaalsContact N-O 3.14Å; M41-K53 PolarHBondContact O-N 3.21Å |
| 42 | V | 96.7 | Very high | 82.8 | Confident | 45 Ų | 45 | 79 Ų | 79 | 27% | 0.273 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 132 | 170.2 | -179.2 | 0 | 0 | 0 | 0 | 108.9 | F50 V52 F67 L69 | V42-F50 HydrophobicContact CG1-CD1 3.86Å; V42-V52 HydrophobicContact CG2-CG1 4.45Å; V42-V52 HydrophobicContact CG2-CG2 4.39Å; V42-F67 HydrophobicContact CG2-CB 3.89Å; V42-F67 HydrophobicContact CG2-CD2 4.06Å; V42-F67 HydrophobicContact CG2-CG 4.32Å; V42-L69 HydrophobicContact CG1-CD2 3.75Å |
| 43 | T | 96.2 | Very high | 84.7 | Confident | 71 Ų | 71 | 77.2 Ų | 77.2 | 44% | 0.436 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 130.7 | 178.5 | -54.3 | 0 | 0 | 0 | 0 | 109.7 | F50 M51 | T43-F50 WeakPolarHBondContact O-CA 3.35Å; T43-M51 PolarHBondContact N-O 3.38Å; T43-M51 PolarHBondContact O-N 3.44Å |
| 44 | M | 95.1 | Very high | 86.9 | Confident | 106 Ų | 106 | 67.9 Ų | 67.9 | 52% | 0.522 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 127.4 | 171 | -166.5 | 172.9 | 178.6 | 0 | 0 | 109.2 | N49 F50 | M44-N49 CarbonylContact C-O 3.48Å; M44-N49 WeakPolarHBondContact CA-O 3.32Å; M44-F50 HydrophobicContact CB-CD1 4.11Å; M44-F50 HydrophobicContact CB-CE1 3.67Å; M44-F50 HydrophobicContact CB-CZ 4.37Å; M44-F50 HydrophobicContact CG-CD1 4.5Å; M44-F50 HydrophobicContact CG-CE1 3.88Å; M44-F50 HydrophobicContact CG-CZ 4.08Å; M44-F50 HydrophobicContact SD-CE1 4.45Å; M44-F50 HydrophobicContact SD-CZ 4.32Å |
| 45 | E | 94.8 | Very high | 89 | Confident | 54 Ų | 54 | 61.7 Ų | 61.7 | 25% | 0.252 | 33% | 0.333 | S | S | . | . | trans | -82.1 | 162.7 | 173.9 | -62.5 | -170.6 | 132.1 | 0 | 0 | 110.4 | D47 G48 N49 M51 K135 | E45-D47 WeakPolarHBondContact CB-OD1 3.39Å; E45-D47 PolarHBondContact O-N 2.78Å; E45-D47 VanDerWaalsContact O-N 3.14Å; E45-G48 PolarHBondContact O-N 3Å; E45-N49 PolarHBondContact N-O 3.11Å; E45-M51 HydrophobicContact CG-CB 4.26Å; E45-M51 WeakPolarHBondContact OE1-CE 3.44Å; E45-K135 IonicContact OE1-NZ 3.94Å; E45-K135 IonicContact OE2-NZ 3.1Å; E45-K135 PolarHBondContact OE2-NZ 3.16Å | ||
| 46 | E | 91.7 | Very high | 91.1 | Very high | 213 Ų | 213 | 60.4 Ų | 60.4 | 100% | 0.995 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -23.9 | -176.6 | -61.9 | -177.5 | 168.9 | 0 | 0 | 113.7 | G48 | E46-G48 VanDerWaalsContact C-N 3.28Š|
| 47 | D | 90.1 | Very high | 93.1 | Very high | 88 Ų | 88 | 54.4 Ų | 54.4 | 47% | 0.471 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 4.5 | 177.2 | 69.5 | -5.5 | 0 | 0 | 0 | 113.3 | E45 N49 R133 | E45-D47 WeakPolarHBondContact CB-OD1 3.39Å; E45-D47 PolarHBondContact O-N 2.78Å; E45-D47 VanDerWaalsContact O-N 3.14Å; D47-N49 VanDerWaalsContact C-N 3.34Å; D47-N49 VanDerWaalsContact OD1-CB 3.25Å; D47-N49 WeakPolarHBondContact OD1-CB 3.39Å; D47-N49 PolarHBondContact OD1-N 2.94Å; D47-N49 VanDerWaalsContact OD1-N 3.11Å; D47-N49 PolarHBondContact OD1-ND2 3.48Å; D47-N49 VanDerWaalsContact OD1-ND2 3.12Å; D47-N49 PolarHBondContact OD2-ND2 2.93Å; D47-R133 IonicContact OD2-CZ 2.66Å; D47-R133 IonicContact OD2-NH2 2.81Å; D47-R133 PolarHBondContact OD2-NH2 2.8Å |
| 48 | G | 90.6 | Very high | 94.7 | Very high | 24 Ų | 24 | 52.2 Ų | 52.2 | 25% | 0.247 | 28% | 0.282 | C | S | . | . | S | Bend | trans | 84.9 | 0.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | E45 E46 | E45-G48 PolarHBondContact O-N 3Å; E46-G48 VanDerWaalsContact C-N 3.28Å |
| 49 | N | 95.3 | Very high | 95.4 | Very high | 22 Ų | 22 | 48.7 Ų | 48.7 | 12% | 0.118 | 26% | 0.257 | C | S | . | . | trans | -84.3 | 176.9 | 176.3 | -64.3 | -51.5 | 0 | 0 | 0 | 111.9 | M44 E45 D47 R133 | M44-N49 CarbonylContact C-O 3.48Å; M44-N49 WeakPolarHBondContact CA-O 3.32Å; E45-N49 PolarHBondContact N-O 3.11Å; D47-N49 VanDerWaalsContact C-N 3.34Å; D47-N49 VanDerWaalsContact OD1-CB 3.25Å; D47-N49 WeakPolarHBondContact OD1-CB 3.39Å; D47-N49 PolarHBondContact OD1-N 2.94Å; D47-N49 VanDerWaalsContact OD1-N 3.11Å; D47-N49 PolarHBondContact OD1-ND2 3.48Å; D47-N49 VanDerWaalsContact OD1-ND2 3.12Å; D47-N49 PolarHBondContact OD2-ND2 2.93Å; N49-R133 HydrophobicContact CB-CB 4.07Å; N49-R133 HydrophobicContact CB-CG 4.43Å; N49-R133 VanDerWaalsContact CB-O 3.3Å; N49-R133 WeakPolarHBondContact CB-O 3.33Å; N49-R133 PolarHBondContact ND2-NE 2.73Å; N49-R133 PolarHBondContact ND2-NH2 2.87Å; N49-R133 WeakPolarHBondContact OD1-CB 3.4Å; N49-R133 PolarHBondContact OD1-N 2.87Å | ||
| 50 | F | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 138.2 | -179.1 | -66.1 | -84.6 | 0 | 0 | 0 | 113.7 | V42 T43 M44 L69 P70 V72 I132 R133 V134 K135 | V42-F50 HydrophobicContact CG1-CD1 3.86Å; T43-F50 WeakPolarHBondContact O-CA 3.35Å; M44-F50 HydrophobicContact CB-CD1 4.11Å; M44-F50 HydrophobicContact CB-CE1 3.67Å; M44-F50 HydrophobicContact CB-CZ 4.37Å; M44-F50 HydrophobicContact CG-CD1 4.5Å; M44-F50 HydrophobicContact CG-CE1 3.88Å; M44-F50 HydrophobicContact CG-CZ 4.08Å; M44-F50 HydrophobicContact SD-CE1 4.45Å; M44-F50 HydrophobicContact SD-CZ 4.32Å; F50-L69 HydrophobicContact CB-CD2 3.85Å; F50-L69 HydrophobicContact CD1-CD2 3.99Å; F50-L69 HydrophobicContact CD2-CD1 4.28Å; F50-L69 HydrophobicContact CD2-CD2 4.01Å; F50-L69 HydrophobicContact CG-CD2 3.65Å; F50-P70 VanDerWaalsContact CE1-CD 3.47Å; F50-P70 HydrophobicContact CE1-CG 3.48Å; F50-P70 VanDerWaalsContact CE1-CG 3.48Å; F50-P70 HydrophobicContact CZ-CG 3.81Å; F50-V72 HydrophobicContact CE2-CG2 3.76Å; F50-V72 HydrophobicContact CZ-CG2 3.7Å; F50-I132 HydrophobicContact CD2-CG2 3.55Å; F50-I132 HydrophobicContact CE2-CD1 4.28Å; F50-I132 HydrophobicContact CE2-CG2 3.88Å; F50-R133 PolarHBondContact N-O 3.33Å; F50-V134 HydrophobicContact CB-CG1 4.44Å; F50-K135 PolarHBondContact O-N 2.79Å |
| 51 | M | 98 | Very high | 95.6 | Very high | 27 Ų | 27 | 48.9 Ų | 48.9 | 13% | 0.133 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 126.1 | 165.9 | -177.4 | 62.4 | 67.5 | 0 | 0 | 109.1 | T43 E45 K53 K135 H137 | T43-M51 PolarHBondContact N-O 3.38Å; T43-M51 PolarHBondContact O-N 3.44Å; E45-M51 HydrophobicContact CG-CB 4.26Å; E45-M51 WeakPolarHBondContact OE1-CE 3.44Å; M51-K53 HydrophobicContact CG-CG 4.24Å; M51-K135 HydrophobicContact CE-CB 3.97Å; M51-K135 HydrophobicContact CE-CD 3.62Å; M51-K135 HydrophobicContact CE-CG 4.48Å; M51-K135 HydrophobicContact SD-CB 3.94Å; M51-H137 HydrophobicContact SD-CB 3.55Å; M51-H137 VanDerWaalsContact SD-CB 3.55Å |
| 52 | V | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 104 | -178.3 | -176.1 | 0 | 0 | 0 | 0 | 108.2 | V40 M41 V42 V54 F67 V134 K135 V136 H137 | V40-V52 HydrophobicContact CG1-CG1 3.38Å; M41-V52 CarbonylContact O-C 3.53Å; M41-V52 WeakPolarHBondContact O-CA 3.47Å; V42-V52 HydrophobicContact CG2-CG1 4.45Å; V42-V52 HydrophobicContact CG2-CG2 4.39Å; V52-V54 HydrophobicContact CG1-CG1 4.03Å; V52-F67 HydrophobicContact CG1-CB 4.35Å; V52-F67 HydrophobicContact CG1-CD1 3.82Å; V52-F67 HydrophobicContact CG1-CD2 4.21Å; V52-F67 HydrophobicContact CG1-CE1 4.11Å; V52-F67 HydrophobicContact CG1-CE2 4.48Å; V52-F67 HydrophobicContact CG1-CG 3.86Å; V52-F67 HydrophobicContact CG1-CZ 4.43Å; V52-F67 HydrophobicContact CG2-CD2 3.96Å; V52-F67 HydrophobicContact CG2-CE2 3.74Å; V52-F67 HydrophobicContact CG2-CG 4.45Å; V52-F67 HydrophobicContact CG2-CZ 4.04Å; V52-V134 HydrophobicContact CG2-CG1 3.66Å; V52-K135 PolarHBondContact N-O 2.8Å; V52-V136 HydrophobicContact CB-CG2 4.45Å; V52-V136 WeakPolarHBondContact O-CA 3.22Å; V52-H137 PolarHBondContact O-N 2.9Å |
| 53 | K | 97.8 | Very high | 95.8 | Very high | 89 Ų | 89 | 47.6 Ų | 47.6 | 39% | 0.387 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 115.5 | -178.7 | -62.9 | 172.8 | -177.8 | 169.2 | 0 | 109.7 | M41 M51 H137 | M41-K53 HydrophobicContact CB-CB 4.29Å; M41-K53 HydrophobicContact CE-CB 4.4Å; M41-K53 HydrophobicContact CE-CD 4.27Å; M41-K53 PolarHBondContact N-O 3.1Å; M41-K53 VanDerWaalsContact N-O 3.14Å; M41-K53 PolarHBondContact O-N 3.21Å; M51-K53 HydrophobicContact CG-CG 4.24Å; K53-H137 WeakPolarHBondContact CA-O 3.23Å; K53-H137 HydrophobicContact CG-CB 4.37Å |
| 54 | V | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 8 | -171.9 | -56.8 | 0 | 0 | 0 | 0 | 113.7 | V40 V52 L57 I65 V136 H137 A138 L151 V154 | V40-V54 HydrophobicContact CG1-CG1 4.11Å; V40-V54 HydrophobicContact CG2-CG1 4.28Å; V52-V54 HydrophobicContact CG1-CG1 4.03Å; V54-L57 HydrophobicContact CG2-CD1 4.25Å; V54-L57 HydrophobicContact CG2-CG 4.43Å; V54-I65 HydrophobicContact CB-CD1 4.24Å; V54-I65 HydrophobicContact CG1-CD1 4Å; V54-I65 HydrophobicContact CG1-CG2 3.73Å; V54-I65 HydrophobicContact CG2-CD1 4.19Å; V54-V136 HydrophobicContact CG1-CG1 3.8Å; V54-V136 HydrophobicContact CG2-CG1 4.09Å; V54-H137 PolarHBondContact N-O 2.84Å; V54-H137 VanDerWaalsContact N-O 3.09Å; V54-A138 HydrophobicContact CG2-CB 3.57Å; V54-L151 VanDerWaalsContact C-CD1 3.43Å; V54-V154 HydrophobicContact CB-CG2 4.06Å |
| 55 | G | 96 | Very high | 96.1 | Very high | 24 Ų | 24 | 41.5 Ų | 41.5 | 25% | 0.247 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 75.2 | -137.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | R139 | G55-R139 PolarHBondContact O-N 2.78Å |
| 56 | F | 96.8 | Very high | 96.2 | Very high | 74 Ų | 74 | 40.8 Ų | 40.8 | 33% | 0.325 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 128.9 | -176.5 | -66.8 | -98.5 | 0 | 0 | 0 | 110.9 | R139 M141 P148 L150 | F56-R139 VanDerWaalsContact CA-O 3.32Å; F56-R139 WeakPolarHBondContact CA-O 3.44Å; F56-R139 HydrophobicContact CD1-CB 4.21Å; F56-R139 HydrophobicContact CD1-CG 3.98Å; F56-R139 VanDerWaalsContact CE1-CD 3.45Å; F56-R139 HydrophobicContact CE1-CG 4.02Å; F56-M141 HydrophobicContact CB-CG 4.49Å; F56-M141 HydrophobicContact CB-SD 4.03Å; F56-M141 HydrophobicContact CD1-CE 4.4Å; F56-M141 HydrophobicContact CD1-CG 3.95Å; F56-M141 HydrophobicContact CD1-SD 3.77Å; F56-M141 HydrophobicContact CG-SD 4.28Å; F56-P148 HydrophobicContact CB-CB 4.23Å; F56-P148 WeakPolarHBondContact O-CB 3.12Å; F56-L150 WeakPolarHBondContact O-CD2 3.48Å |
| 57 | L | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 169.7 | 172 | -57 | -175 | 0 | 0 | 0 | 109.3 | V54 Y63 Y108 A138 R139 V140 M141 L150 V154 | V54-L57 HydrophobicContact CG2-CD1 4.25Å; V54-L57 HydrophobicContact CG2-CG 4.43Å; L57-Y63 HydrophobicContact CB-CD2 4.33Å; L57-Y63 HydrophobicContact CB-CE2 3.77Å; L57-Y63 HydrophobicContact CD1-CD2 3.98Å; L57-Y63 HydrophobicContact CD1-CE2 4.27Å; L57-Y63 HydrophobicContact CD1-CG 4.5Å; L57-Y63 HydrophobicContact CD2-CD1 3.95Å; L57-Y63 HydrophobicContact CD2-CD2 4Å; L57-Y63 HydrophobicContact CD2-CE1 4.01Å; L57-Y63 HydrophobicContact CD2-CE2 4.04Å; L57-Y63 HydrophobicContact CD2-CG 3.95Å; L57-Y63 HydrophobicContact CG-CD2 4.33Å; L57-Y63 HydrophobicContact CG-CE2 4.24Å; L57-Y108 HydrophobicContact CD1-CD1 3.62Å; L57-Y108 HydrophobicContact CD1-CE1 3.71Å; L57-Y108 HydrophobicContact CD1-CG 4.25Å; L57-A138 HydrophobicContact CD1-CB 3.69Å; L57-A138 HydrophobicContact CG-CB 4.14Å; L57-R139 PolarHBondContact N-O 2.81Å; L57-V140 HydrophobicContact CB-CG2 4.33Å; L57-V140 WeakPolarHBondContact O-CA 3.42Å; L57-M141 WeakPolarHBondContact O-CB 3.33Å; L57-M141 WeakPolarHBondContact O-CG 3.44Å; L57-M141 PolarHBondContact O-N 2.84Å; L57-L150 HydrophobicContact CD2-CD2 4.23Å; L57-V154 HydrophobicContact CD2-CG1 3.73Å |
| 58 | K | 96.6 | Very high | 96.8 | Very high | 36 Ų | 36 | 30.3 Ų | 30.3 | 16% | 0.157 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 139.9 | 173.7 | -170.9 | 161.5 | -177.5 | 155.7 | 0 | 110.1 | H61 Y63 A110 R143 H145 P148 | K58-H61 WeakPolarHBondContact O-CB 3.13Å; K58-Y63 WeakPolarHBondContact CB-OH 3.31Å; K58-Y63 PolarHBondContact N-OH 2.83Å; K58-A110 WeakPolarHBondContact O-CB 3.42Å; K58-R143 WeakPolarHBondContact CE-O 3.12Å; K58-R143 PolarHBondContact NZ-O 2.8Å; K58-H145 PolarHBondContact NZ-O 2.73Å; K58-P148 HydrophobicContact CB-CG 4.12Å |
| 59 | T | 96.1 | Very high | 97 | Very high | 13 Ų | 13 | 29.2 Ų | 29.2 | 8% | 0.08 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 154.7 | 176.5 | -166.5 | 0 | 0 | 0 | 0 | 111.4 | H61 A110 L111 M141 R143 | T59-H61 PolarHBondContact O-N 3.32Å; T59-H61 PolarHBondContact O-ND1 2.8Å; T59-A110 CarbonylContact C-O 3.56Å; T59-A110 VanDerWaalsContact CA-O 3.26Å; T59-A110 WeakPolarHBondContact CA-O 3.25Å; T59-A110 PolarHBondContact OG1-O 3.06Å; T59-L111 PolarHBondContact OG1-O 2.82Å; T59-M141 PolarHBondContact N-O 2.72Å; T59-R143 HydrophobicContact CG2-CB 4.23Å |
| 60 | Q | 94.1 | Very high | 96.9 | Very high | 35 Ų | 35 | 31.5 Ų | 31.5 | 16% | 0.164 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 26.2 | -175.8 | -57.5 | 163.2 | -5.3 | 0 | 0 | 113.7 | A110 T159 E160 E162 | Q60-A110 PolarHBondContact N-O 3.37Å; Q60-T159 CarbonylContact O-C 3.6Å; Q60-T159 WeakPolarHBondContact O-CA 3.37Å; Q60-E160 PolarHBondContact O-N 3.48Å; Q60-E162 PolarHBondContact NE2-OE1 3.33Å; Q60-E162 PolarHBondContact NE2-OE2 3.22Å |
| 61 | H | 96.1 | Very high | 96.5 | Very high | 39 Ų | 39 | 36.9 Ų | 36.9 | 18% | 0.181 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 148.5 | 176.4 | -66.8 | 58.4 | 0 | 0 | 0 | 110.8 | K58 T59 Y63 A110 G158 | K58-H61 WeakPolarHBondContact O-CB 3.13Å; T59-H61 PolarHBondContact O-N 3.32Å; T59-H61 PolarHBondContact O-ND1 2.8Å; H61-Y63 HydrophobicContact CB-CD2 4.36Å; H61-Y63 HydrophobicContact CB-CE2 3.51Å; H61-A110 PolarHBondContact O-N 2.86Å; H61-G158 WeakPolarHBondContact CA-O 3.35Å |
| 62 | R | 97.8 | Very high | 95.9 | Very high | 82 Ų | 82 | 36.9 Ų | 36.9 | 31% | 0.309 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 131.4 | 172.4 | -164.4 | -177.7 | -58.7 | -157.9 | 5 | 109.4 | E107 Y108 L109 I157 G158 E160 | R62-E107 WeakPolarHBondContact CD-OE2 3.5Å; R62-E107 IonicContact NH1-OE2 3.87Å; R62-E107 PolarHBondContact NH1-OE2 2.84Å; R62-E107 VanDerWaalsContact NH1-OE2 3.15Å; R62-Y108 WeakPolarHBondContact CA-O 3.36Å; R62-L109 HydrophobicContact CB-CD1 4.08Å; R62-L109 HydrophobicContact CG-CD1 4.22Å; R62-I157 HydrophobicContact CB-CG1 4.13Å; R62-I157 HydrophobicContact CG-CD1 4.01Å; R62-I157 HydrophobicContact CG-CG1 4Å; R62-I157 WeakPolarHBondContact O-CG1 3.31Å; R62-I157 PolarHBondContact O-N 2.86Å; R62-G158 PolarHBondContact N-O 3.47Å; R62-G158 PolarHBondContact O-N 3.1Å; R62-E160 IonicContact CZ-OE2 3.4Å; R62-E160 IonicContact NE-OE2 3.52Å; R62-E160 IonicContact NH2-OE1 3.64Å; R62-E160 IonicContact NH2-OE2 2.75Å; R62-E160 PolarHBondContact NH2-OE2 3.06Å |
| 63 | Y | 98.4 | Very high | 95.1 | Very high | 3 Ų | 3 | 42.7 Ų | 42.7 | 1% | 0.012 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 140.9 | -179.4 | -63.8 | -86.9 | 0 | 0 | 0 | 110.3 | L57 K58 H61 E107 Y108 A110 L150 V154 R155 C156 | L57-Y63 HydrophobicContact CB-CD2 4.33Å; L57-Y63 HydrophobicContact CB-CE2 3.77Å; L57-Y63 HydrophobicContact CD1-CD2 3.98Å; L57-Y63 HydrophobicContact CD1-CE2 4.27Å; L57-Y63 HydrophobicContact CD1-CG 4.5Å; L57-Y63 HydrophobicContact CD2-CD1 3.95Å; L57-Y63 HydrophobicContact CD2-CD2 4Å; L57-Y63 HydrophobicContact CD2-CE1 4.01Å; L57-Y63 HydrophobicContact CD2-CE2 4.04Å; L57-Y63 HydrophobicContact CD2-CG 3.95Å; L57-Y63 HydrophobicContact CG-CD2 4.33Å; L57-Y63 HydrophobicContact CG-CE2 4.24Å; K58-Y63 WeakPolarHBondContact CB-OH 3.31Å; K58-Y63 PolarHBondContact N-OH 2.83Å; H61-Y63 HydrophobicContact CB-CD2 4.36Å; H61-Y63 HydrophobicContact CB-CE2 3.51Å; Y63-E107 CarbonylContact O-C 3.49Å; Y63-E107 VanDerWaalsContact O-CA 3.3Å; Y63-E107 WeakPolarHBondContact O-CA 3.33Å; Y63-Y108 PolarHBondContact N-O 2.81Å; Y63-Y108 PolarHBondContact O-N 2.75Å; Y63-A110 HydrophobicContact CD2-CB 4.48Å; Y63-A110 HydrophobicContact CE2-CB 4.21Å; Y63-L150 HydrophobicContact CD1-CD1 4.5Å; Y63-L150 HydrophobicContact CD1-CD2 4.36Å; Y63-L150 HydrophobicContact CE1-CD1 4.1Å; Y63-L150 HydrophobicContact CE1-CD2 3.73Å; Y63-V154 HydrophobicContact CD1-CG1 3.86Å; Y63-V154 HydrophobicContact CG-CG1 4.42Å; Y63-R155 CarbonylContact C-O 3.38Å; Y63-R155 VanDerWaalsContact CA-O 3.26Å; Y63-R155 WeakPolarHBondContact CA-O 3.38Å; Y63-C156 HydrophobicContact CD1-CB 4.07Å; Y63-C156 HydrophobicContact CE1-CB 3.77Å |
| 64 | E | 98.6 | Very high | 94.2 | Very high | 48 Ų | 48 | 41.8 Ų | 41.8 | 22% | 0.224 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 133.7 | 155.9 | 179.7 | -168.6 | 67.7 | 0 | 0 | 107.5 | V66 T105 C106 R155 I157 | E64-V66 HydrophobicContact CG-CG2 4.34Å; E64-T105 HydrophobicContact CG-CG2 3.8Å; E64-C106 CarbonylContact C-O 3.56Å; E64-C106 WeakPolarHBondContact CA-O 3.43Å; E64-R155 HydrophobicContact CB-CB 4.5Å; E64-R155 PolarHBondContact N-O 3.36Å; E64-R155 PolarHBondContact O-N 2.83Å; E64-R155 IonicContact OE1-CZ 3.56Å; E64-R155 IonicContact OE1-NE 3.15Å; E64-R155 PolarHBondContact OE1-NE 3.33Å; E64-R155 IonicContact OE1-NH2 3.58Å; E64-R155 PolarHBondContact OE1-NH2 2.78Å; E64-R155 IonicContact OE2-CZ 2.79Å; E64-R155 IonicContact OE2-NH2 3.07Å; E64-R155 PolarHBondContact OE2-NH2 2.83Å; E64-I157 HydrophobicContact CB-CD1 4.32Å; E64-I157 HydrophobicContact CB-CG2 3.69Å |
| 65 | I | 98.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 125.5 | 179.2 | -50.6 | -173.9 | 0 | 0 | 0 | 108 | V40 V54 F67 T105 C106 Y108 V136 G153 V154 | V40-I65 HydrophobicContact CG2-CG2 4.48Å; V54-I65 HydrophobicContact CB-CD1 4.24Å; V54-I65 HydrophobicContact CG1-CD1 4Å; V54-I65 HydrophobicContact CG1-CG2 3.73Å; V54-I65 HydrophobicContact CG2-CD1 4.19Å; I65-F67 HydrophobicContact CG2-CD1 4.08Å; I65-T105 WeakPolarHBondContact O-CA 3.46Å; I65-C106 PolarHBondContact N-O 2.74Å; I65-C106 PolarHBondContact O-N 2.77Å; I65-Y108 HydrophobicContact CD1-CD2 4.26Å; I65-Y108 HydrophobicContact CD1-CG 4.08Å; I65-V136 HydrophobicContact CD1-CG1 4.25Å; I65-G153 CarbonylContact C-O 3.53Å; I65-G153 WeakPolarHBondContact CA-O 3.42Å; I65-V154 HydrophobicContact CG2-CG2 4.42Å |
| 66 | V | 98.3 | Very high | 92.5 | Very high | 39 Ų | 39 | 42.3 Ų | 42.3 | 24% | 0.236 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 126.3 | -179.3 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | E64 K103 I104 T105 G153 | E64-V66 HydrophobicContact CG-CG2 4.34Å; V66-K103 HydrophobicContact CG1-CD 4.46Å; V66-K103 HydrophobicContact CG1-CG 4.24Å; V66-I104 WeakPolarHBondContact CA-O 3.21Å; V66-T105 HydrophobicContact CG2-CG2 3.98Å; V66-G153 PolarHBondContact N-O 3.31Å; V66-G153 WeakPolarHBondContact O-CA 3.4Å |
| 67 | F | 97.3 | Very high | 91.7 | Very high | 14 Ų | 14 | 45.4 Ų | 45.4 | 6% | 0.061 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 164.5 | 176.4 | 57.9 | -87.9 | 0 | 0 | 0 | 111.1 | V40 V42 V52 I65 L69 I104 V134 | V40-F67 HydrophobicContact CG1-CB 3.99Å; V42-F67 HydrophobicContact CG2-CB 3.89Å; V42-F67 HydrophobicContact CG2-CD2 4.06Å; V42-F67 HydrophobicContact CG2-CG 4.32Å; V52-F67 HydrophobicContact CG1-CB 4.35Å; V52-F67 HydrophobicContact CG1-CD1 3.82Å; V52-F67 HydrophobicContact CG1-CD2 4.21Å; V52-F67 HydrophobicContact CG1-CE1 4.11Å; V52-F67 HydrophobicContact CG1-CE2 4.48Å; V52-F67 HydrophobicContact CG1-CG 3.86Å; V52-F67 HydrophobicContact CG1-CZ 4.43Å; V52-F67 HydrophobicContact CG2-CD2 3.96Å; V52-F67 HydrophobicContact CG2-CE2 3.74Å; V52-F67 HydrophobicContact CG2-CG 4.45Å; V52-F67 HydrophobicContact CG2-CZ 4.04Å; I65-F67 HydrophobicContact CG2-CD1 4.08Å; F67-L69 HydrophobicContact CD2-CD2 3.92Å; F67-L69 HydrophobicContact CD2-CG 4.26Å; F67-L69 HydrophobicContact CE2-CD2 3.7Å; F67-L69 HydrophobicContact CE2-CG 3.97Å; F67-I104 HydrophobicContact CD2-CB 4.21Å; F67-I104 HydrophobicContact CD2-CG1 4.36Å; F67-I104 HydrophobicContact CE1-CB 4.13Å; F67-I104 HydrophobicContact CE1-CG2 4.09Å; F67-I104 HydrophobicContact CE2-CB 3.7Å; F67-I104 HydrophobicContact CE2-CG1 3.75Å; F67-I104 HydrophobicContact CE2-CG2 4.19Å; F67-I104 HydrophobicContact CZ-CB 3.67Å; F67-I104 HydrophobicContact CZ-CG1 4.13Å; F67-I104 HydrophobicContact CZ-CG2 3.67Å; F67-I104 PolarHBondContact N-O 3.04Å; F67-I104 VanDerWaalsContact N-O 3.1Å; F67-I104 PolarHBondContact O-N 2.86Å; F67-V134 HydrophobicContact CE2-CG1 4.06Å; F67-V134 HydrophobicContact CZ-CG1 3.99Å |
| 68 | T | 96.2 | Very high | 91.2 | Very high | 68 Ų | 68 | 50 Ų | 50 | 42% | 0.417 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 122.7 | 177 | -58.6 | 0 | 0 | 0 | 0 | 110 | A97 L102 | T68-A97 HydrophobicContact CG2-CB 3.61Å; T68-L102 CarbonylContact C-O 3.5Å; T68-L102 WeakPolarHBondContact CA-O 3.31Å |
| 69 | L | 95.1 | Very high | 91 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 136.1 | 166.3 | -59.1 | -178.3 | 0 | 0 | 0 | 109.2 | V42 F50 F67 G101 L102 I104 L122 V134 | V42-L69 HydrophobicContact CG1-CD2 3.75Å; F50-L69 HydrophobicContact CB-CD2 3.85Å; F50-L69 HydrophobicContact CD1-CD2 3.99Å; F50-L69 HydrophobicContact CD2-CD1 4.28Å; F50-L69 HydrophobicContact CD2-CD2 4.01Å; F50-L69 HydrophobicContact CG-CD2 3.65Å; F67-L69 HydrophobicContact CD2-CD2 3.92Å; F67-L69 HydrophobicContact CD2-CG 4.26Å; F67-L69 HydrophobicContact CE2-CD2 3.7Å; F67-L69 HydrophobicContact CE2-CG 3.97Å; L69-G101 CarbonylContact O-C 3.44Å; L69-G101 WeakPolarHBondContact O-CA 3.47Å; L69-L102 HydrophobicContact CB-CB 4.48Å; L69-L102 PolarHBondContact N-O 3.01Å; L69-L102 PolarHBondContact O-N 2.91Å; L69-I104 HydrophobicContact CD1-CD1 4.43Å; L69-I104 HydrophobicContact CD1-CG1 4.06Å; L69-I104 HydrophobicContact CG-CG1 4.1Å; L69-L122 HydrophobicContact CD1-CD1 3.71Å; L69-V134 HydrophobicContact CD1-CG2 3.86Å |
| 70 | P | 93.1 | Very high | 90.8 | Very high | 69 Ų | 69 | 50.2 Ų | 50.2 | 45% | 0.448 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 160.4 | 171.8 | 29.6 | -35.6 | 0 | 0 | 0 | 111.2 | F50 V72 | F50-P70 VanDerWaalsContact CE1-CD 3.47Å; F50-P70 HydrophobicContact CE1-CG 3.48Å; F50-P70 VanDerWaalsContact CE1-CG 3.48Å; F50-P70 HydrophobicContact CZ-CG 3.81Å; P70-V72 PolarHBondContact O-N 3.24Å |
| 71 | E | 88.4 | Confident | 90.8 | Very high | 114 Ų | 114 | 51.5 Ų | 51.5 | 53% | 0.533 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 125.4 | -179.8 | -171.8 | 166.1 | -147.2 | 0 | 0 | 111.4 | K77 | E71-K77 WeakPolarHBondContact OE1-CE 3.48Š|
| 72 | V | 84.8 | Confident | 90.7 | Very high | 26 Ų | 26 | 50.4 Ų | 50.4 | 16% | 0.158 | 29% | 0.292 | C | S | . | . | trans | -109.9 | 103.3 | 174.7 | 180 | 0 | 0 | 0 | 0 | 108.3 | F50 P70 A74 V75 G76 I132 | F50-V72 HydrophobicContact CE2-CG2 3.76Å; F50-V72 HydrophobicContact CZ-CG2 3.7Å; P70-V72 PolarHBondContact O-N 3.24Å; V72-A74 PolarHBondContact O-N 2.93Å; V72-V75 HydrophobicContact CB-CB 4.37Å; V72-V75 HydrophobicContact CB-CG2 4.33Å; V72-V75 HydrophobicContact CG1-CB 4.31Å; V72-V75 HydrophobicContact CG1-CG2 3.82Å; V72-V75 PolarHBondContact O-N 2.84Å; V72-G76 PolarHBondContact O-N 2.93Å; V72-I132 HydrophobicContact CB-CD1 4.04Å; V72-I132 HydrophobicContact CG1-CD1 4.33Å; V72-I132 HydrophobicContact CG2-CD1 3.93Å | ||
| 73 | P | 82.4 | Confident | 90.2 | Very high | 123 Ų | 123 | 52.5 Ų | 52.5 | 80% | 0.799 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -28.1 | -170.5 | -29.2 | 36 | 0 | 0 | 0 | 115.5 | V75 | P73-V75 VanDerWaalsContact C-N 3.3Å; P73-V75 PolarHBondContact O-N 3.21Å |
| 74 | A | 78.6 | Confident | 89.5 | Confident | 70 Ų | 70 | 58.1 Ų | 58.1 | 58% | 0.579 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -27.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V72 V130 | V72-A74 PolarHBondContact O-N 2.93Å; A74-V130 HydrophobicContact CB-CG1 4.47Å |
| 75 | V | 80.1 | Confident | 88.8 | Confident | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.024 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -25.1 | -168.5 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | V72 P73 V79 S124 V130 I132 | V72-V75 HydrophobicContact CB-CB 4.37Å; V72-V75 HydrophobicContact CB-CG2 4.33Å; V72-V75 HydrophobicContact CG1-CB 4.31Å; V72-V75 HydrophobicContact CG1-CG2 3.82Å; V72-V75 PolarHBondContact O-N 2.84Å; P73-V75 VanDerWaalsContact C-N 3.3Å; P73-V75 PolarHBondContact O-N 3.21Å; V75-V79 HydrophobicContact CG1-CG1 4.4Å; V75-V79 HydrophobicContact CG1-CG2 3.65Å; V75-S124 WeakPolarHBondContact O-CB 3.34Å; V75-S124 PolarHBondContact O-OG 2.8Å; V75-V130 HydrophobicContact CB-CG1 4.14Å; V75-V130 HydrophobicContact CG2-CG1 3.34Å; V75-I132 HydrophobicContact CB-CD1 3.97Å; V75-I132 HydrophobicContact CB-CG1 4.3Å; V75-I132 HydrophobicContact CG1-CD1 3.81Å; V75-I132 HydrophobicContact CG1-CG1 4.19Å; V75-I132 HydrophobicContact CG2-CD1 3.62Å; V75-I132 HydrophobicContact CG2-CG1 3.44Å; V75-I132 VanDerWaalsContact CG2-CG1 3.44Å |
| 76 | G | 78.8 | Confident | 88.3 | Confident | 31 Ų | 31 | 63.8 Ų | 63.8 | 32% | 0.32 | 38% | 0.384 | S | S | . | . | trans | 78.7 | -158.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V72 | V72-G76 PolarHBondContact O-N 2.93Š| ||
| 77 | K | 79 | Confident | 87.8 | Confident | 139 Ų | 139 | 66.7 Ų | 66.7 | 60% | 0.604 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -105.2 | -25.1 | -176.9 | -60.5 | -173.2 | -180 | -171.5 | 0 | 112.9 | E71 | E71-K77 WeakPolarHBondContact OE1-CE 3.48Š|
| 78 | D | 86.3 | Confident | 87.7 | Confident | 97 Ų | 97 | 68.7 Ų | 68.7 | 52% | 0.519 | 41% | 0.414 | S | S | . | . | trans | -95.9 | 104.5 | -178 | -50.6 | -57.2 | 0 | 0 | 0 | 108.2 | E125 | D78-E125 HydrophobicContact CB-CB 4.14Å; D78-E125 PolarHBondContact O-N 2.87Å | ||
| 79 | V | 92.3 | Very high | 87.7 | Confident | 12 Ų | 12 | 65.7 Ų | 65.7 | 7% | 0.073 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 132.7 | -167.1 | -176.2 | 0 | 0 | 0 | 0 | 109.6 | V75 L102 L122 L123 | V75-V79 HydrophobicContact CG1-CG1 4.4Å; V75-V79 HydrophobicContact CG1-CG2 3.65Å; V79-L102 HydrophobicContact CB-CD1 4.16Å; V79-L102 HydrophobicContact CG1-CD1 4.41Å; V79-L102 HydrophobicContact CG2-CD1 3.77Å; V79-L122 HydrophobicContact CG1-CB 3.7Å; V79-L122 HydrophobicContact CG1-CD1 4.42Å; V79-L122 HydrophobicContact CG1-CD2 4.32Å; V79-L122 HydrophobicContact CG1-CG 4.38Å; V79-L123 VanDerWaalsContact CA-O 3.31Å; V79-L123 WeakPolarHBondContact CA-O 3.43Å; V79-L123 WeakPolarHBondContact CG1-O 3.21Å |
| 80 | C | 93.3 | Very high | 87.8 | Confident | 41 Ų | 41 | 71.6 Ų | 71.6 | 28% | 0.277 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 154.3 | 176.8 | 60.4 | 0 | 0 | 0 | 0 | 111.6 | L122 L123 E125 | C80-L122 WeakPolarHBondContact O-CA 3.41Å; C80-L123 PolarHBondContact N-O 3.21Å; C80-L123 PolarHBondContact O-N 2.86Å; C80-E125 HydrophobicContact CB-CG 4.38Å |
| 81 | P | 94.4 | Very high | 87.9 | Confident | 62 Ų | 62 | 69.4 Ų | 69.4 | 40% | 0.403 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 138 | 168.2 | 30.3 | -33.9 | 0 | 0 | 0 | 110.2 | I91 | P81-I91 HydrophobicContact CB-CB 4.12Å; P81-I91 HydrophobicContact CB-CD1 3.81Å; P81-I91 HydrophobicContact CB-CG2 4.43Å; P81-I91 HydrophobicContact CG-CB 4.45Å; P81-I91 HydrophobicContact CG-CG2 4.42Å |
| 82 | A | 92.4 | Very high | 88.3 | Confident | 16 Ų | 16 | 67.1 Ų | 67.1 | 13% | 0.132 | 40% | 0.399 | C | S | . | . | trans | -59.2 | 144.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | L84 L121 L123 | A82-L84 HydrophobicContact CB-CG 4.42Å; A82-L84 PolarHBondContact O-N 3.03Å; A82-L121 HydrophobicContact CB-CB 3.72Å; A82-L121 WeakPolarHBondContact CB-O 3.34Å; A82-L121 PolarHBondContact N-O 3.23Å; A82-L123 HydrophobicContact CB-CD1 3.92Å; A82-L123 HydrophobicContact CB-CD2 4.15Å; A82-L123 HydrophobicContact CB-CG 3.91Å | ||
| 83 | P | 87.9 | Confident | 88.9 | Confident | 125 Ų | 125 | 69.3 Ų | 69.3 | 81% | 0.812 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -77.6 | 40.2 | -176.3 | 34 | -38 | 0 | 0 | 0 | 113 | ||
| 84 | L | 84.6 | Confident | 89.5 | Confident | 122 Ų | 122 | 65.4 Ų | 65.4 | 64% | 0.639 | 38% | 0.382 | S | S | * | . | trans | -99 | 127 | 178.1 | -62.9 | 178.1 | 0 | 0 | 0 | 109.5 | A82 N86 L121 | A82-L84 HydrophobicContact CB-CG 4.42Å; A82-L84 PolarHBondContact O-N 3.03Å; L84-N86 PolarHBondContact O-N 2.83Å; L84-L121 HydrophobicContact CD1-CD1 4.06Å | ||
| 85 | P | 82.2 | Confident | 90.3 | Very high | 129 Ų | 129 | 64 Ų | 64 | 84% | 0.838 | 37% | 0.367 | S | S | * | . | trans | -73.5 | 110.1 | 177.8 | 29.2 | -33 | 0 | 0 | 0 | 110.4 | ||||
| 86 | N | 88.1 | Confident | 90.9 | Very high | 37 Ų | 37 | 67.6 Ų | 67.6 | 20% | 0.198 | 40% | 0.397 | C | S | . | . | trans | -97.3 | 122.9 | 160.3 | -179.9 | -36.3 | 0 | 0 | 0 | 108.3 | L84 H88 L89 E118 E119 | L84-N86 PolarHBondContact O-N 2.83Å; N86-H88 VanDerWaalsContact C-N 3.32Å; N86-H88 PolarHBondContact O-N 3.29Å; N86-H88 PolarHBondContact OD1-N 3.38Å; N86-L89 WeakPolarHBondContact CB-O 3.49Å; N86-L89 PolarHBondContact OD1-N 3.06Å; N86-E118 PolarHBondContact ND2-OE2 2.8Å; N86-E118 PolarHBondContact OD1-OE2 2.86Å; N86-E119 PolarHBondContact ND2-O 2.92Å | ||
| 87 | P | 88.4 | Confident | 91.5 | Very high | 100 Ų | 100 | 66.7 Ų | 66.7 | 65% | 0.649 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -77.1 | -14.2 | -176.6 | 31.9 | -36 | 0 | 0 | 0 | 114.3 | ||
| 88 | H | 95.3 | Very high | 91.9 | Very high | 57 Ų | 57 | 66.3 Ų | 66.3 | 26% | 0.264 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -113.5 | -18.9 | -175.3 | -57.4 | -48.7 | 0 | 0 | 0 | 113.4 | N86 Y108 L109 E118 | N86-H88 VanDerWaalsContact C-N 3.32Å; N86-H88 PolarHBondContact O-N 3.29Å; N86-H88 PolarHBondContact OD1-N 3.38Å; H88-Y108 CarbonylContact O-C 3.51Å; H88-Y108 VanDerWaalsContact O-CA 3.28Å; H88-Y108 WeakPolarHBondContact O-CA 3.47Å; H88-L109 PolarHBondContact O-N 3.3Å; H88-E118 HydrophobicContact CB-CG 3.93Å; H88-E118 IonicContact CD2-OE1 2.66Å; H88-E118 PolarHBondContact CD2-OE1 2.94Å; H88-E118 IonicContact CG-OE1 3.82Å |
| 89 | L | 96.8 | Very high | 91.9 | Very high | 5 Ų | 5 | 70.7 Ų | 70.7 | 3% | 0.026 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 121.9 | -178.1 | 175.5 | 61.3 | 0 | 0 | 0 | 111 | N86 C106 E107 Y108 E118 V120 V136 | N86-L89 WeakPolarHBondContact CB-O 3.49Å; N86-L89 PolarHBondContact OD1-N 3.06Å; L89-C106 HydrophobicContact CD1-CB 3.78Å; L89-C106 VanDerWaalsContact CD1-SG 3.6Å; L89-E107 WeakPolarHBondContact CA-O 3.48Å; L89-Y108 HydrophobicContact CD1-CD2 4.3Å; L89-E118 HydrophobicContact CB-CB 3.81Å; L89-E118 HydrophobicContact CB-CG 4.32Å; L89-E118 HydrophobicContact CD2-CB 3.75Å; L89-E118 HydrophobicContact CG-CB 4.42Å; L89-V120 HydrophobicContact CD2-CG1 3.78Å; L89-V120 HydrophobicContact CD2-CG2 4.1Å; L89-V120 HydrophobicContact CG-CG1 3.85Å; L89-V136 HydrophobicContact CD1-CG2 4.12Å; L89-V136 HydrophobicContact CD2-CB 3.95Å; L89-V136 HydrophobicContact CD2-CG2 3.56Å |
| 90 | K | 95.9 | Very high | 91.6 | Very high | 125 Ų | 125 | 71.7 Ų | 71.7 | 54% | 0.543 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 119.2 | -179.9 | 178.7 | -171 | 171.8 | -162.8 | 0 | 110.7 | C106 E107 | K90-C106 CarbonylContact O-C 3.58Å; K90-C106 WeakPolarHBondContact O-CA 3.12Å; K90-C106 WeakPolarHBondContact O-CB 3.45Å; K90-E107 PolarHBondContact N-O 3.47Å; K90-E107 PolarHBondContact O-N 2.77Å |
| 91 | I | 97.1 | Very high | 91.6 | Very high | 23 Ų | 23 | 70.3 Ų | 70.3 | 12% | 0.118 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 132.8 | 169.1 | -66.7 | 161.3 | 0 | 0 | 0 | 109.3 | P81 I94 I104 C106 V120 L122 | P81-I91 HydrophobicContact CB-CB 4.12Å; P81-I91 HydrophobicContact CB-CD1 3.81Å; P81-I91 HydrophobicContact CB-CG2 4.43Å; P81-I91 HydrophobicContact CG-CB 4.45Å; P81-I91 HydrophobicContact CG-CG2 4.42Å; I91-I94 HydrophobicContact CG2-CD1 4.07Å; I91-I94 HydrophobicContact CG2-CG1 3.69Å; I91-I104 HydrophobicContact CG1-CG2 4.23Å; I91-I104 HydrophobicContact CG2-CG2 4.45Å; I91-C106 HydrophobicContact CG1-CB 4.34Å; I91-V120 HydrophobicContact CD1-CB 4.07Å; I91-V120 HydrophobicContact CD1-CG1 4.46Å; I91-V120 HydrophobicContact CD1-CG2 3.74Å; I91-V120 HydrophobicContact CG1-CG2 4.34Å; I91-L122 HydrophobicContact CD1-CD2 3.53Å |
| 92 | T | 96.6 | Very high | 91.6 | Very high | 65 Ų | 65 | 68 Ų | 68 | 40% | 0.399 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | -26.5 | -178.2 | 50.6 | 0 | 0 | 0 | 0 | 113.5 | T105 E107 | T92-T105 PolarHBondContact N-O 3.1Å; T92-T105 PolarHBondContact OG1-O 2.85Å; T92-E107 HydrophobicContact CG2-CB 4.47Å; T92-E107 HydrophobicContact CG2-CG 3.95Å |
| 93 | D | 96.8 | Very high | 91.7 | Very high | 73 Ų | 73 | 71.1 Ų | 71.1 | 39% | 0.39 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 143.7 | 172.1 | -176.3 | 69.6 | 0 | 0 | 0 | 110.9 | S95 T105 | D93-S95 WeakPolarHBondContact OD2-CB 3.38Å; D93-S95 PolarHBondContact OD2-OG 3Å; D93-T105 PolarHBondContact N-O 2.96Å; D93-T105 PolarHBondContact O-N 2.94Å |
| 94 | I | 95.6 | Very high | 92.2 | Very high | 41 Ų | 41 | 65.3 Ų | 65.3 | 21% | 0.21 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 122.6 | 166.5 | -59.1 | -178.1 | 0 | 0 | 0 | 106.5 | I91 L102 I104 L122 | I91-I94 HydrophobicContact CG2-CD1 4.07Å; I91-I94 HydrophobicContact CG2-CG1 3.69Å; I94-L102 HydrophobicContact CG2-CD2 4.39Å; I94-I104 HydrophobicContact CB-CD1 4.4Å; I94-I104 HydrophobicContact CD1-CD1 4.35Å; I94-I104 HydrophobicContact CG1-CD1 3.94Å; I94-I104 HydrophobicContact CG2-CD1 3.99Å; I94-L122 HydrophobicContact CD1-CD2 3.64Å |
| 95 | S | 94.3 | Very high | 92.8 | Very high | 39 Ų | 39 | 60.1 Ų | 60.1 | 27% | 0.273 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 153.6 | -178.7 | 42.3 | 0 | 0 | 0 | 0 | 111.5 | D93 A97 K103 | D93-S95 WeakPolarHBondContact OD2-CB 3.38Å; D93-S95 PolarHBondContact OD2-OG 3Å; S95-A97 PolarHBondContact O-N 2.87Å; S95-K103 PolarHBondContact N-O 3.14Å; S95-K103 WeakPolarHBondContact O-CB 3.48Å; S95-K103 PolarHBondContact O-N 3.09Å |
| 96 | A | 92.3 | Very high | 93.6 | Very high | 80 Ų | 80 | 54.1 Ų | 54.1 | 66% | 0.661 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 132.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 97 | A | 92.1 | Very high | 94 | Very high | 13 Ų | 13 | 55 Ų | 55 | 11% | 0.107 | 32% | 0.316 | C | S | . | . | trans | -82.7 | 144.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | T68 S95 E99 G100 G101 K103 | T68-A97 HydrophobicContact CG2-CB 3.61Å; S95-A97 PolarHBondContact O-N 2.87Å; A97-E99 VanDerWaalsContact C-N 3.28Å; A97-E99 PolarHBondContact O-N 2.98Å; A97-G100 WeakPolarHBondContact CB-O 3.44Å; A97-G100 PolarHBondContact O-N 2.84Å; A97-G101 PolarHBondContact N-O 2.81Å; A97-K103 HydrophobicContact CB-CB 4.33Å | ||
| 98 | P | 87.7 | Confident | 94.5 | Very high | 130 Ų | 130 | 50.2 Ų | 50.2 | 84% | 0.844 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -35.7 | -178.4 | -25.7 | 34.9 | 0 | 0 | 0 | 114.2 | G100 | P98-G100 PolarHBondContact O-N 2.94Š|
| 99 | E | 85.8 | Confident | 94.6 | Very high | 189 Ų | 189 | 49.1 Ų | 49.1 | 88% | 0.883 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | 5.2 | -179.9 | -46.7 | -59 | 164.5 | 0 | 0 | 113 | A97 | A97-E99 VanDerWaalsContact C-N 3.28Å; A97-E99 PolarHBondContact O-N 2.98Å |
| 100 | G | 86.8 | Confident | 94.6 | Very high | 34 Ų | 34 | 48.9 Ų | 48.9 | 35% | 0.351 | 28% | 0.279 | S | S | . | . | S | Bend | trans | 92.8 | 160.9 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A97 P98 | A97-G100 WeakPolarHBondContact CB-O 3.44Å; A97-G100 PolarHBondContact O-N 2.84Å; P98-G100 PolarHBondContact O-N 2.94Å |
| 101 | G | 91.9 | Very high | 94.5 | Very high | 11 Ų | 11 | 46.9 Ų | 46.9 | 11% | 0.113 | 27% | 0.274 | C | S | . | . | S | Bend | trans | 80.7 | -163.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L69 A97 | L69-G101 CarbonylContact O-C 3.44Å; L69-G101 WeakPolarHBondContact O-CA 3.47Å; A97-G101 PolarHBondContact N-O 2.81Å |
| 102 | L | 94 | Very high | 94.3 | Very high | 14 Ų | 14 | 52 Ų | 52 | 7% | 0.073 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 121.1 | -171.5 | -63.5 | 174.7 | 0 | 0 | 0 | 110.9 | T68 L69 V79 I94 I104 | T68-L102 CarbonylContact C-O 3.5Å; T68-L102 WeakPolarHBondContact CA-O 3.31Å; L69-L102 HydrophobicContact CB-CB 4.48Å; L69-L102 PolarHBondContact N-O 3.01Å; L69-L102 PolarHBondContact O-N 2.91Å; V79-L102 HydrophobicContact CB-CD1 4.16Å; V79-L102 HydrophobicContact CG1-CD1 4.41Å; V79-L102 HydrophobicContact CG2-CD1 3.77Å; I94-L102 HydrophobicContact CG2-CD2 4.39Å; L102-I104 HydrophobicContact CB-CD1 4.16Å |
| 103 | K | 96.1 | Very high | 94.3 | Very high | 82 Ų | 82 | 54.7 Ų | 54.7 | 36% | 0.357 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 123.6 | 165.4 | -174.8 | -171.5 | 175.1 | -165.2 | 0 | 108.6 | V66 S95 A97 | V66-K103 HydrophobicContact CG1-CD 4.46Å; V66-K103 HydrophobicContact CG1-CG 4.24Å; S95-K103 PolarHBondContact N-O 3.14Å; S95-K103 WeakPolarHBondContact O-CB 3.48Å; S95-K103 PolarHBondContact O-N 3.09Å; A97-K103 HydrophobicContact CB-CB 4.33Å |
| 104 | I | 97.1 | Very high | 94.3 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 134.2 | 176.6 | -50.6 | -60.4 | 0 | 0 | 0 | 108.3 | V66 F67 L69 I91 I94 L102 L122 | V66-I104 WeakPolarHBondContact CA-O 3.21Å; F67-I104 HydrophobicContact CD2-CB 4.21Å; F67-I104 HydrophobicContact CD2-CG1 4.36Å; F67-I104 HydrophobicContact CE1-CB 4.13Å; F67-I104 HydrophobicContact CE1-CG2 4.09Å; F67-I104 HydrophobicContact CE2-CB 3.7Å; F67-I104 HydrophobicContact CE2-CG1 3.75Å; F67-I104 HydrophobicContact CE2-CG2 4.19Å; F67-I104 HydrophobicContact CZ-CB 3.67Å; F67-I104 HydrophobicContact CZ-CG1 4.13Å; F67-I104 HydrophobicContact CZ-CG2 3.67Å; F67-I104 PolarHBondContact N-O 3.04Å; F67-I104 VanDerWaalsContact N-O 3.1Å; F67-I104 PolarHBondContact O-N 2.86Å; L69-I104 HydrophobicContact CD1-CD1 4.43Å; L69-I104 HydrophobicContact CD1-CG1 4.06Å; L69-I104 HydrophobicContact CG-CG1 4.1Å; I91-I104 HydrophobicContact CG1-CG2 4.23Å; I91-I104 HydrophobicContact CG2-CG2 4.45Å; I94-I104 HydrophobicContact CB-CD1 4.4Å; I94-I104 HydrophobicContact CD1-CD1 4.35Å; I94-I104 HydrophobicContact CG1-CD1 3.94Å; I94-I104 HydrophobicContact CG2-CD1 3.99Å; L102-I104 HydrophobicContact CB-CD1 4.16Å; I104-L122 HydrophobicContact CD1-CD1 4.16Å |
| 105 | T | 98.3 | Very high | 94.3 | Very high | 14 Ų | 14 | 55.3 Ų | 55.3 | 9% | 0.086 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 133.4 | 164.9 | -49.3 | 0 | 0 | 0 | 0 | 108.8 | E64 I65 V66 T92 D93 | E64-T105 HydrophobicContact CG-CG2 3.8Å; I65-T105 WeakPolarHBondContact O-CA 3.46Å; V66-T105 HydrophobicContact CG2-CG2 3.98Å; T92-T105 PolarHBondContact N-O 3.1Å; T92-T105 PolarHBondContact OG1-O 2.85Å; D93-T105 PolarHBondContact N-O 2.96Å; D93-T105 PolarHBondContact O-N 2.94Å |
| 106 | C | 97.9 | Very high | 94.5 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.014 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 151.8 | 175.8 | 57.8 | 0 | 0 | 0 | 0 | 113 | E64 I65 L89 K90 I91 | E64-C106 CarbonylContact C-O 3.56Å; E64-C106 WeakPolarHBondContact CA-O 3.43Å; I65-C106 PolarHBondContact N-O 2.74Å; I65-C106 PolarHBondContact O-N 2.77Å; L89-C106 HydrophobicContact CD1-CB 3.78Å; L89-C106 VanDerWaalsContact CD1-SG 3.6Å; K90-C106 CarbonylContact O-C 3.58Å; K90-C106 WeakPolarHBondContact O-CA 3.12Å; K90-C106 WeakPolarHBondContact O-CB 3.45Å; I91-C106 HydrophobicContact CG1-CB 4.34Å |
| 107 | E | 97.8 | Very high | 94.7 | Very high | 55 Ų | 55 | 54 Ų | 54 | 26% | 0.257 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 131.1 | 165 | -75 | 178.1 | -137.3 | 0 | 0 | 109.5 | R62 Y63 L89 K90 T92 I157 | R62-E107 WeakPolarHBondContact CD-OE2 3.5Å; R62-E107 IonicContact NH1-OE2 3.87Å; R62-E107 PolarHBondContact NH1-OE2 2.84Å; R62-E107 VanDerWaalsContact NH1-OE2 3.15Å; Y63-E107 CarbonylContact O-C 3.49Å; Y63-E107 VanDerWaalsContact O-CA 3.3Å; Y63-E107 WeakPolarHBondContact O-CA 3.33Å; L89-E107 WeakPolarHBondContact CA-O 3.48Å; K90-E107 PolarHBondContact N-O 3.47Å; K90-E107 PolarHBondContact O-N 2.77Å; T92-E107 HydrophobicContact CG2-CB 4.47Å; T92-E107 HydrophobicContact CG2-CG 3.95Å; E107-I157 HydrophobicContact CG-CD1 4.07Å |
| 108 | Y | 98.1 | Very high | 95 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 0% | 0.004 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 126.3 | 172.6 | -171.1 | -75 | 0 | 0 | 0 | 109.8 | L57 R62 Y63 I65 H88 L89 A110 L116 E118 V136 A138 | L57-Y108 HydrophobicContact CD1-CD1 3.62Å; L57-Y108 HydrophobicContact CD1-CE1 3.71Å; L57-Y108 HydrophobicContact CD1-CG 4.25Å; R62-Y108 WeakPolarHBondContact CA-O 3.36Å; Y63-Y108 PolarHBondContact N-O 2.81Å; Y63-Y108 PolarHBondContact O-N 2.75Å; I65-Y108 HydrophobicContact CD1-CD2 4.26Å; I65-Y108 HydrophobicContact CD1-CG 4.08Å; H88-Y108 CarbonylContact O-C 3.51Å; H88-Y108 VanDerWaalsContact O-CA 3.28Å; H88-Y108 WeakPolarHBondContact O-CA 3.47Å; L89-Y108 HydrophobicContact CD1-CD2 4.3Å; Y108-A110 HydrophobicContact CD1-CB 4.13Å; Y108-A110 HydrophobicContact CE1-CB 3.89Å; Y108-L116 WeakPolarHBondContact OH-CB 3.44Å; Y108-E118 HydrophobicContact CE2-CB 4.02Å; Y108-E118 HydrophobicContact CE2-CG 3.61Å; Y108-V136 HydrophobicContact CD2-CG1 3.91Å; Y108-V136 HydrophobicContact CE2-CG1 4.03Å; Y108-A138 HydrophobicContact CE2-CB 4.4Å |
| 109 | L | 97.3 | Very high | 95.3 | Very high | 33 Ų | 33 | 52.7 Ų | 52.7 | 17% | 0.173 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 100.3 | 179.8 | -171.7 | 68.7 | 0 | 0 | 0 | 110.2 | R62 H88 L111 E160 | R62-L109 HydrophobicContact CB-CD1 4.08Å; R62-L109 HydrophobicContact CG-CD1 4.22Å; H88-L109 PolarHBondContact O-N 3.3Å; L109-L111 HydrophobicContact CD1-CD2 4.22Å; L109-L111 HydrophobicContact CD2-CD1 3.87Å; L109-L111 HydrophobicContact CD2-CD2 3.91Å; L109-L111 HydrophobicContact CD2-CG 3.89Å; L109-L111 HydrophobicContact CG-CD1 4.37Å; L109-L111 HydrophobicContact CG-CD2 3.73Å; L109-L111 HydrophobicContact CG-CG 3.82Å; L109-L111 PolarHBondContact O-N 3.4Å; L109-E160 HydrophobicContact CD1-CB 4.09Å; L109-E160 HydrophobicContact CD1-CG 4.1Å; L109-E160 WeakPolarHBondContact CD1-OE2 3.5Å |
| 110 | A | 96.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 80.6 | -175 | 0 | 0 | 0 | 0 | 0 | 111.3 | K58 T59 Q60 H61 Y63 Y108 V140 | K58-A110 WeakPolarHBondContact O-CB 3.42Å; T59-A110 CarbonylContact C-O 3.56Å; T59-A110 VanDerWaalsContact CA-O 3.26Å; T59-A110 WeakPolarHBondContact CA-O 3.25Å; T59-A110 PolarHBondContact OG1-O 3.06Å; Q60-A110 PolarHBondContact N-O 3.37Å; H61-A110 PolarHBondContact O-N 2.86Å; Y63-A110 HydrophobicContact CD2-CB 4.48Å; Y63-A110 HydrophobicContact CE2-CB 4.21Å; Y108-A110 HydrophobicContact CD1-CB 4.13Å; Y108-A110 HydrophobicContact CE1-CB 3.89Å; A110-V140 HydrophobicContact CB-CG1 3.96Å; A110-V140 HydrophobicContact CB-CG2 4.06Å |
| 111 | L | 93.8 | Very high | 96.2 | Very high | 84 Ų | 84 | 45.5 Ų | 45.5 | 44% | 0.44 | 25% | 0.245 | S | C | . | . | trans | -87.4 | -25.3 | -179.2 | -62 | -172.5 | 0 | 0 | 0 | 114.7 | T59 L109 E160 | T59-L111 PolarHBondContact OG1-O 2.82Å; L109-L111 HydrophobicContact CD1-CD2 4.22Å; L109-L111 HydrophobicContact CD2-CD1 3.87Å; L109-L111 HydrophobicContact CD2-CD2 3.91Å; L109-L111 HydrophobicContact CD2-CG 3.89Å; L109-L111 HydrophobicContact CG-CD1 4.37Å; L109-L111 HydrophobicContact CG-CD2 3.73Å; L109-L111 HydrophobicContact CG-CG 3.82Å; L109-L111 PolarHBondContact O-N 3.4Å; L111-E160 HydrophobicContact CD2-CG 4.44Å | ||
| 112 | Q | 93.6 | Very high | 96.4 | Very high | 129 Ų | 129 | 45 Ų | 45 | 60% | 0.603 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -116.1 | 141.8 | -176.4 | -161.3 | -170.8 | -77.8 | 0 | 0 | 110.6 | L116 V140 | Q112-L116 HydrophobicContact CB-CD1 4.23Å; Q112-L116 WeakPolarHBondContact O-CD1 3.32Å; Q112-V140 WeakPolarHBondContact O-CB 3.3Å; Q112-V140 WeakPolarHBondContact O-CG1 3.26Å |
| 113 | E | 95.6 | Very high | 96.4 | Very high | 122 Ų | 122 | 47 Ų | 47 | 57% | 0.57 | 25% | 0.25 | S | C | * | . | trans | -74.7 | 160.8 | 170.5 | 62.8 | 176.9 | -150.1 | 0 | 0 | 112.6 | D142 | E113-D142 WeakPolarHBondContact OE2-CB 3.43Š| ||
| 114 | G | 96.9 | Very high | 96.2 | Very high | 34 Ų | 34 | 43.4 Ų | 43.4 | 35% | 0.351 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 116.2 | -154.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R139 V140 | G114-R139 CarbonylContact O-C 3.49Å; G114-R139 WeakPolarHBondContact O-CA 3.47Å; G114-V140 PolarHBondContact N-O 2.87Å; G114-V140 PolarHBondContact O-N 3.35Å |
| 115 | V | 97.6 | Very high | 95.8 | Very high | 93 Ų | 93 | 49.5 Ų | 49.5 | 56% | 0.564 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 109.1 | 174.1 | -179.2 | 0 | 0 | 0 | 0 | 107.2 | H137 R139 | V115-H137 VanDerWaalsContact CG1-NE2 3.25Å; V115-H137 WeakPolarHBondContact CG1-NE2 3.47Å; V115-R139 HydrophobicContact CG2-CG 4.3Å |
| 116 | L | 97.6 | Very high | 95.2 | Very high | 25 Ų | 25 | 53.7 Ų | 53.7 | 13% | 0.131 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 153 | -174.5 | -56.8 | -174.3 | 0 | 0 | 0 | 110.7 | Y108 Q112 H137 A138 V140 | Y108-L116 WeakPolarHBondContact OH-CB 3.44Å; Q112-L116 HydrophobicContact CB-CD1 4.23Å; Q112-L116 WeakPolarHBondContact O-CD1 3.32Å; L116-H137 CarbonylContact O-C 3.51Å; L116-H137 WeakPolarHBondContact O-CA 3.14Å; L116-A138 PolarHBondContact N-O 3.18Å; L116-A138 PolarHBondContact O-N 2.8Å; L116-V140 HydrophobicContact CD1-CG2 3.8Å; L116-V140 HydrophobicContact CG-CG2 4.24Å |
| 117 | C | 96.9 | Very high | 94.6 | Very high | 67 Ų | 67 | 55.7 Ų | 55.7 | 45% | 0.453 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 92.5 | -179.4 | -170.5 | 0 | 0 | 0 | 0 | 108.3 | V136 | C117-V136 WeakPolarHBondContact CA-O 3.41Å |
| 118 | E | 97.2 | Very high | 93.8 | Very high | 32 Ų | 32 | 61 Ų | 61 | 15% | 0.15 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 141.1 | -179.9 | -70.9 | -56.7 | 147.6 | 0 | 0 | 111.1 | N86 H88 L89 Y108 K135 V136 | N86-E118 PolarHBondContact ND2-OE2 2.8Å; N86-E118 PolarHBondContact OD1-OE2 2.86Å; H88-E118 HydrophobicContact CB-CG 3.93Å; H88-E118 IonicContact CD2-OE1 2.66Å; H88-E118 PolarHBondContact CD2-OE1 2.94Å; H88-E118 IonicContact CG-OE1 3.82Å; L89-E118 HydrophobicContact CB-CB 3.81Å; L89-E118 HydrophobicContact CB-CG 4.32Å; L89-E118 HydrophobicContact CD2-CB 3.75Å; L89-E118 HydrophobicContact CG-CB 4.42Å; Y108-E118 HydrophobicContact CE2-CB 4.02Å; Y108-E118 HydrophobicContact CE2-CG 3.61Å; E118-K135 CarbonylContact O-C 3.54Å; E118-K135 VanDerWaalsContact O-CA 3.31Å; E118-K135 WeakPolarHBondContact O-CA 3.44Å; E118-V136 PolarHBondContact N-O 2.89Å; E118-V136 PolarHBondContact O-N 3.18Å |
| 119 | E | 95.8 | Very high | 93.2 | Very high | 83 Ų | 83 | 68.5 Ų | 68.5 | 39% | 0.388 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 138.1 | -174.9 | -168.5 | 172.4 | 128.3 | 0 | 0 | 111.8 | N86 R133 | N86-E119 PolarHBondContact ND2-O 2.92Å; E119-R133 HydrophobicContact CG-CG 3.77Å; E119-R133 VanDerWaalsContact OE1-CD 3.23Å; E119-R133 WeakPolarHBondContact OE1-CD 3.47Å; E119-R133 WeakPolarHBondContact OE2-CD 3.39Å |
| 120 | V | 96.1 | Very high | 92.8 | Very high | 23 Ų | 23 | 68.6 Ų | 68.6 | 14% | 0.139 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 149.3 | 165 | -71.3 | 0 | 0 | 0 | 0 | 110.3 | L89 I91 V134 | L89-V120 HydrophobicContact CD2-CG1 3.78Å; L89-V120 HydrophobicContact CD2-CG2 4.1Å; L89-V120 HydrophobicContact CG-CG1 3.85Å; I91-V120 HydrophobicContact CD1-CB 4.07Å; I91-V120 HydrophobicContact CD1-CG1 4.46Å; I91-V120 HydrophobicContact CD1-CG2 3.74Å; I91-V120 HydrophobicContact CG1-CG2 4.34Å; V120-V134 HydrophobicContact CG2-CB 4.02Å; V120-V134 PolarHBondContact N-O 2.84Å; V120-V134 PolarHBondContact O-N 2.93Å |
| 121 | L | 95.3 | Very high | 92.6 | Very high | 50 Ų | 50 | 71.9 Ų | 71.9 | 26% | 0.262 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 135.8 | 171.6 | -68.8 | 170.5 | 0 | 0 | 0 | 109.5 | A82 L84 I132 R133 | A82-L121 HydrophobicContact CB-CB 3.72Å; A82-L121 WeakPolarHBondContact CB-O 3.34Å; A82-L121 PolarHBondContact N-O 3.23Å; L84-L121 HydrophobicContact CD1-CD1 4.06Å; L121-I132 WeakPolarHBondContact CA-O 3.28Å; L121-R133 HydrophobicContact CD2-CB 3.79Å |
| 122 | L | 94.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 129.9 | 169.7 | -66.9 | -178.6 | 0 | 0 | 0 | 108.2 | L69 V79 C80 I91 I94 I104 C131 I132 V134 | L69-L122 HydrophobicContact CD1-CD1 3.71Å; V79-L122 HydrophobicContact CG1-CB 3.7Å; V79-L122 HydrophobicContact CG1-CD1 4.42Å; V79-L122 HydrophobicContact CG1-CD2 4.32Å; V79-L122 HydrophobicContact CG1-CG 4.38Å; C80-L122 WeakPolarHBondContact O-CA 3.41Å; I91-L122 HydrophobicContact CD1-CD2 3.53Å; I94-L122 HydrophobicContact CD1-CD2 3.64Å; I104-L122 HydrophobicContact CD1-CD1 4.16Å; L122-C131 CarbonylContact O-C 3.59Å; L122-C131 WeakPolarHBondContact O-CA 3.21Å; L122-C131 VanDerWaalsContact O-CB 3.31Å; L122-C131 WeakPolarHBondContact O-CB 3.4Å; L122-I132 HydrophobicContact CB-CB 4.29Å; L122-I132 PolarHBondContact N-O 3.02Å; L122-I132 PolarHBondContact O-N 3.01Å; L122-V134 HydrophobicContact CD1-CG2 3.77Å; L122-V134 HydrophobicContact CG-CG2 4.14Å |
| 123 | L | 94.2 | Very high | 92.7 | Very high | 56 Ų | 56 | 65.2 Ų | 65.2 | 29% | 0.293 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 138 | -178.8 | -52.2 | -179.2 | 0 | 0 | 0 | 109.7 | V79 C80 A82 C131 | V79-L123 VanDerWaalsContact CA-O 3.31Å; V79-L123 WeakPolarHBondContact CA-O 3.43Å; V79-L123 WeakPolarHBondContact CG1-O 3.21Å; C80-L123 PolarHBondContact N-O 3.21Å; C80-L123 PolarHBondContact O-N 2.86Å; A82-L123 HydrophobicContact CB-CD1 3.92Å; A82-L123 HydrophobicContact CB-CD2 4.15Å; A82-L123 HydrophobicContact CB-CG 3.91Å; L123-C131 HydrophobicContact CD2-CB 3.67Å |
| 124 | S | 92.3 | Very high | 92.8 | Very high | 6 Ų | 6 | 59.5 Ų | 59.5 | 4% | 0.042 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 133.2 | 169.4 | -172 | 0 | 0 | 0 | 0 | 109.9 | V75 T126 V130 | V75-S124 WeakPolarHBondContact O-CB 3.34Å; V75-S124 PolarHBondContact O-OG 2.8Å; S124-T126 PolarHBondContact O-N 2.91Å; S124-T126 PolarHBondContact OG-N 2.79Å; S124-T126 PolarHBondContact OG-OG1 3.36Å; S124-V130 PolarHBondContact N-O 2.84Å; S124-V130 VanDerWaalsContact N-O 3.1Å |
| 125 | E | 88.9 | Confident | 92.8 | Very high | 131 Ų | 131 | 59.6 Ų | 59.6 | 61% | 0.612 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -8.8 | 171.3 | -61.3 | -167.6 | 172.1 | 0 | 0 | 112.4 | D78 C80 | D78-E125 HydrophobicContact CB-CB 4.14Å; D78-E125 PolarHBondContact O-N 2.87Å; C80-E125 HydrophobicContact CB-CG 4.38Å |
| 126 | T | 86.3 | Confident | 92.9 | Very high | 102 Ų | 102 | 55.2 Ų | 55.2 | 63% | 0.626 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.2 | -9.5 | -177.1 | 67.8 | 0 | 0 | 0 | 0 | 114.2 | S124 | S124-T126 PolarHBondContact O-N 2.91Å; S124-T126 PolarHBondContact OG-N 2.79Å; S124-T126 PolarHBondContact OG-OG1 3.36Å |
| 127 | S | 85.3 | Confident | 92.9 | Very high | 43 Ų | 43 | 56.9 Ų | 56.9 | 30% | 0.301 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 112.4 | -178.8 | -171.2 | 0 | 0 | 0 | 0 | 111.8 | D129 V130 | S127-D129 PolarHBondContact O-N 3.1Å; S127-V130 PolarHBondContact O-N 2.66Å; S127-V130 VanDerWaalsContact O-N 3.16Å |
| 128 | D | 80.9 | Confident | 93 | Very high | 167 Ų | 167 | 53.7 Ų | 53.7 | 89% | 0.893 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.7 | -25.8 | -177.9 | -61.2 | -39.1 | 0 | 0 | 0 | 113.6 | V130 | D128-V130 VanDerWaalsContact C-N 3.3Å; D128-V130 PolarHBondContact O-N 3.5Å |
| 129 | D | 85.2 | Confident | 93 | Very high | 159 Ų | 159 | 58.9 Ų | 58.9 | 85% | 0.85 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.5 | -6.3 | -179.1 | -66.5 | -46.7 | 0 | 0 | 0 | 113.3 | S127 | S127-D129 PolarHBondContact O-N 3.1Å |
| 130 | V | 88.8 | Confident | 93.1 | Very high | 35 Ų | 35 | 55.1 Ų | 55.1 | 21% | 0.212 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 117.1 | -171.7 | 179.2 | 0 | 0 | 0 | 0 | 111.8 | A74 V75 S124 S127 D128 | A74-V130 HydrophobicContact CB-CG1 4.47Å; V75-V130 HydrophobicContact CB-CG1 4.14Å; V75-V130 HydrophobicContact CG2-CG1 3.34Å; S124-V130 PolarHBondContact N-O 2.84Å; S124-V130 VanDerWaalsContact N-O 3.1Å; S127-V130 PolarHBondContact O-N 2.66Å; S127-V130 VanDerWaalsContact O-N 3.16Å; D128-V130 VanDerWaalsContact C-N 3.3Å; D128-V130 PolarHBondContact O-N 3.5Å |
| 131 | C | 92.1 | Very high | 93.1 | Very high | 68 Ų | 68 | 56.2 Ų | 56.2 | 46% | 0.459 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 153.6 | 171.9 | 66.8 | 0 | 0 | 0 | 0 | 112.4 | L122 L123 | L122-C131 CarbonylContact O-C 3.59Å; L122-C131 WeakPolarHBondContact O-CA 3.21Å; L122-C131 VanDerWaalsContact O-CB 3.31Å; L122-C131 WeakPolarHBondContact O-CB 3.4Å; L123-C131 HydrophobicContact CD2-CB 3.67Å |
| 132 | I | 94 | Very high | 93 | Very high | 5 Ų | 5 | 55.2 Ų | 55.2 | 3% | 0.026 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 132 | 168.6 | -60.2 | 172.6 | 0 | 0 | 0 | 107.7 | F50 V72 V75 L121 L122 V134 | F50-I132 HydrophobicContact CD2-CG2 3.55Å; F50-I132 HydrophobicContact CE2-CD1 4.28Å; F50-I132 HydrophobicContact CE2-CG2 3.88Å; V72-I132 HydrophobicContact CB-CD1 4.04Å; V72-I132 HydrophobicContact CG1-CD1 4.33Å; V72-I132 HydrophobicContact CG2-CD1 3.93Å; V75-I132 HydrophobicContact CB-CD1 3.97Å; V75-I132 HydrophobicContact CB-CG1 4.3Å; V75-I132 HydrophobicContact CG1-CD1 3.81Å; V75-I132 HydrophobicContact CG1-CG1 4.19Å; V75-I132 HydrophobicContact CG2-CD1 3.62Å; V75-I132 HydrophobicContact CG2-CG1 3.44Å; V75-I132 VanDerWaalsContact CG2-CG1 3.44Å; L121-I132 WeakPolarHBondContact CA-O 3.28Å; L122-I132 HydrophobicContact CB-CB 4.29Å; L122-I132 PolarHBondContact N-O 3.02Å; L122-I132 PolarHBondContact O-N 3.01Å; I132-V134 HydrophobicContact CG2-CG2 4.11Å |
| 133 | R | 95.6 | Very high | 92.7 | Very high | 69 Ų | 69 | 61.2 Ų | 61.2 | 26% | 0.26 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 134.4 | 163.8 | 162 | 175.3 | 60.3 | -163.1 | -0.2 | 110.7 | D47 N49 F50 E119 L121 K135 | D47-R133 IonicContact OD2-CZ 2.66Å; D47-R133 IonicContact OD2-NH2 2.81Å; D47-R133 PolarHBondContact OD2-NH2 2.8Å; N49-R133 HydrophobicContact CB-CB 4.07Å; N49-R133 HydrophobicContact CB-CG 4.43Å; N49-R133 VanDerWaalsContact CB-O 3.3Å; N49-R133 WeakPolarHBondContact CB-O 3.33Å; N49-R133 PolarHBondContact ND2-NE 2.73Å; N49-R133 PolarHBondContact ND2-NH2 2.87Å; N49-R133 WeakPolarHBondContact OD1-CB 3.4Å; N49-R133 PolarHBondContact OD1-N 2.87Å; F50-R133 PolarHBondContact N-O 3.33Å; E119-R133 HydrophobicContact CG-CG 3.77Å; E119-R133 VanDerWaalsContact OE1-CD 3.23Å; E119-R133 WeakPolarHBondContact OE1-CD 3.47Å; E119-R133 WeakPolarHBondContact OE2-CD 3.39Å; L121-R133 HydrophobicContact CD2-CB 3.79Å; R133-K135 HydrophobicContact CG-CG 4.19Å |
| 134 | V | 97.2 | Very high | 92.5 | Very high | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.012 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 122.6 | 173.2 | -172.5 | 0 | 0 | 0 | 0 | 108.6 | F50 V52 F67 L69 V120 L122 I132 | F50-V134 HydrophobicContact CB-CG1 4.44Å; V52-V134 HydrophobicContact CG2-CG1 3.66Å; F67-V134 HydrophobicContact CE2-CG1 4.06Å; F67-V134 HydrophobicContact CZ-CG1 3.99Å; L69-V134 HydrophobicContact CD1-CG2 3.86Å; V120-V134 HydrophobicContact CG2-CB 4.02Å; V120-V134 PolarHBondContact N-O 2.84Å; V120-V134 PolarHBondContact O-N 2.93Å; L122-V134 HydrophobicContact CD1-CG2 3.77Å; L122-V134 HydrophobicContact CG-CG2 4.14Å; I132-V134 HydrophobicContact CG2-CG2 4.11Å |
| 135 | K | 98.1 | Very high | 92.3 | Very high | 35 Ų | 35 | 70.6 Ų | 70.6 | 15% | 0.152 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 120.4 | 178 | -66.7 | 169.1 | -171.9 | 156.9 | 0 | 109.7 | E45 F50 M51 V52 E118 R133 | E45-K135 IonicContact OE1-NZ 3.94Å; E45-K135 IonicContact OE2-NZ 3.1Å; E45-K135 PolarHBondContact OE2-NZ 3.16Å; F50-K135 PolarHBondContact O-N 2.79Å; M51-K135 HydrophobicContact CE-CB 3.97Å; M51-K135 HydrophobicContact CE-CD 3.62Å; M51-K135 HydrophobicContact CE-CG 4.48Å; M51-K135 HydrophobicContact SD-CB 3.94Å; V52-K135 PolarHBondContact N-O 2.8Å; E118-K135 CarbonylContact O-C 3.54Å; E118-K135 VanDerWaalsContact O-CA 3.31Å; E118-K135 WeakPolarHBondContact O-CA 3.44Å; R133-K135 HydrophobicContact CG-CG 4.19Å |
| 136 | V | 98.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 66.9 Ų | 66.9 | 1% | 0.006 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 108.2 | 173.8 | 179.7 | 0 | 0 | 0 | 0 | 108.9 | V52 V54 I65 L89 Y108 C117 E118 | V52-V136 HydrophobicContact CB-CG2 4.45Å; V52-V136 WeakPolarHBondContact O-CA 3.22Å; V54-V136 HydrophobicContact CG1-CG1 3.8Å; V54-V136 HydrophobicContact CG2-CG1 4.09Å; I65-V136 HydrophobicContact CD1-CG1 4.25Å; L89-V136 HydrophobicContact CD1-CG2 4.12Å; L89-V136 HydrophobicContact CD2-CB 3.95Å; L89-V136 HydrophobicContact CD2-CG2 3.56Å; Y108-V136 HydrophobicContact CD2-CG1 3.91Å; Y108-V136 HydrophobicContact CE2-CG1 4.03Å; C117-V136 WeakPolarHBondContact CA-O 3.41Å; E118-V136 PolarHBondContact N-O 2.89Å; E118-V136 PolarHBondContact O-N 3.18Å |
| 137 | H | 98.3 | Very high | 92.6 | Very high | 61 Ų | 61 | 68.5 Ų | 68.5 | 28% | 0.282 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 111.3 | -177.3 | 176.7 | -70.1 | 0 | 0 | 0 | 111.1 | M51 V52 K53 V54 V115 L116 | M51-H137 HydrophobicContact SD-CB 3.55Å; M51-H137 VanDerWaalsContact SD-CB 3.55Å; V52-H137 PolarHBondContact O-N 2.9Å; K53-H137 WeakPolarHBondContact CA-O 3.23Å; K53-H137 HydrophobicContact CG-CB 4.37Å; V54-H137 PolarHBondContact N-O 2.84Å; V54-H137 VanDerWaalsContact N-O 3.09Å; V115-H137 VanDerWaalsContact CG1-NE2 3.25Å; V115-H137 WeakPolarHBondContact CG1-NE2 3.47Å; L116-H137 CarbonylContact O-C 3.51Å; L116-H137 WeakPolarHBondContact O-CA 3.14Å |
| 138 | A | 97.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 145.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V54 L57 Y108 L116 V140 | V54-A138 HydrophobicContact CG2-CB 3.57Å; L57-A138 HydrophobicContact CD1-CB 3.69Å; L57-A138 HydrophobicContact CG-CB 4.14Å; Y108-A138 HydrophobicContact CE2-CB 4.4Å; L116-A138 PolarHBondContact N-O 3.18Å; L116-A138 PolarHBondContact O-N 2.8Å; A138-V140 HydrophobicContact CB-CG2 4.45Å |
| 139 | R | 97.7 | Very high | 93.5 | Very high | 140 Ų | 140 | 65.9 Ų | 65.9 | 53% | 0.528 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 97.1 | 167 | -175.3 | 165 | 176 | -169.1 | 0.7 | 109.4 | G55 F56 L57 G114 V115 | G55-R139 PolarHBondContact O-N 2.78Å; F56-R139 VanDerWaalsContact CA-O 3.32Å; F56-R139 WeakPolarHBondContact CA-O 3.44Å; F56-R139 HydrophobicContact CD1-CB 4.21Å; F56-R139 HydrophobicContact CD1-CG 3.98Å; F56-R139 VanDerWaalsContact CE1-CD 3.45Å; F56-R139 HydrophobicContact CE1-CG 4.02Å; L57-R139 PolarHBondContact N-O 2.81Å; G114-R139 CarbonylContact O-C 3.49Å; G114-R139 WeakPolarHBondContact O-CA 3.47Å; V115-R139 HydrophobicContact CG2-CG 4.3Å |
| 140 | V | 97.7 | Very high | 94 | Very high | 5 Ų | 5 | 61.2 Ų | 61.2 | 3% | 0.03 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 120.1 | -179.8 | -172.1 | 0 | 0 | 0 | 0 | 109.9 | L57 A110 Q112 G114 L116 A138 | L57-V140 HydrophobicContact CB-CG2 4.33Å; L57-V140 WeakPolarHBondContact O-CA 3.42Å; A110-V140 HydrophobicContact CB-CG1 3.96Å; A110-V140 HydrophobicContact CB-CG2 4.06Å; Q112-V140 WeakPolarHBondContact O-CB 3.3Å; Q112-V140 WeakPolarHBondContact O-CG1 3.26Å; G114-V140 PolarHBondContact N-O 2.87Å; G114-V140 PolarHBondContact O-N 3.35Å; L116-V140 HydrophobicContact CD1-CG2 3.8Å; L116-V140 HydrophobicContact CG-CG2 4.24Å; A138-V140 HydrophobicContact CB-CG2 4.45Å |
| 141 | M | 96.7 | Very high | 94.4 | Very high | 45 Ų | 45 | 60.3 Ų | 60.3 | 22% | 0.222 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 149.7 | 175.1 | -52 | 178.8 | 82.9 | 0 | 0 | 110.2 | F56 L57 T59 H145 P148 | F56-M141 HydrophobicContact CB-CG 4.49Å; F56-M141 HydrophobicContact CB-SD 4.03Å; F56-M141 HydrophobicContact CD1-CE 4.4Å; F56-M141 HydrophobicContact CD1-CG 3.95Å; F56-M141 HydrophobicContact CD1-SD 3.77Å; F56-M141 HydrophobicContact CG-SD 4.28Å; L57-M141 WeakPolarHBondContact O-CB 3.33Å; L57-M141 WeakPolarHBondContact O-CG 3.44Å; L57-M141 PolarHBondContact O-N 2.84Å; T59-M141 PolarHBondContact N-O 2.72Å; M141-H145 HydrophobicContact CB-CB 3.99Å; M141-H145 HydrophobicContact CE-CB 3.79Å; M141-P148 HydrophobicContact SD-CB 4.38Å |
| 142 | D | 93.2 | Very high | 94.6 | Very high | 30 Ų | 30 | 63.8 Ų | 63.8 | 16% | 0.16 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 173.4 | 175.1 | 76 | 93.1 | 0 | 0 | 0 | 113.1 | E113 H144 H145 | E113-D142 WeakPolarHBondContact OE2-CB 3.43Å; D142-H144 VanDerWaalsContact C-N 3.29Å; D142-H144 PolarHBondContact O-N 3.43Å; D142-H144 WeakPolarHBondContact OD1-CA 3.26Å; D142-H144 WeakPolarHBondContact OD1-CB 3.34Å; D142-H144 IonicContact OD1-CG 3.47Å; D142-H144 PolarHBondContact OD1-N 2.79Å; D142-H144 IonicContact OD1-ND1 3.51Å; D142-H144 PolarHBondContact OD1-ND1 3.15Å; D142-H144 VanDerWaalsContact OD1-ND1 3.07Å; D142-H145 PolarHBondContact O-N 3.48Å; D142-H145 PolarHBondContact OD1-N 3.36Å; D142-H145 IonicContact OD2-CD2 3.1Å; D142-H145 IonicContact OD2-CE1 3.9Å; D142-H145 PolarHBondContact OD2-CE1 3.41Å; D142-H145 IonicContact OD2-CG 2.72Å; D142-H145 IonicContact OD2-ND1 2.84Å; D142-H145 PolarHBondContact OD2-ND1 3.07Å; D142-H145 IonicContact OD2-NE2 3.2Å |
| 143 | R | 88.9 | Confident | 94.7 | Very high | 125 Ų | 125 | 64.8 Ų | 64.8 | 47% | 0.472 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -65.5 | -26.2 | -174.2 | 72.8 | 179.3 | 97.9 | -157.1 | 1.9 | 114.2 | K58 T59 E162 | K58-R143 WeakPolarHBondContact CE-O 3.12Å; K58-R143 PolarHBondContact NZ-O 2.8Å; T59-R143 HydrophobicContact CG2-CB 4.23Å; R143-E162 IonicContact CZ-OE2 3.7Å; R143-E162 IonicContact NH1-OE2 3.06Å; R143-E162 PolarHBondContact NH1-OE2 2.75Å; R143-E162 IonicContact NH2-OE2 3.8Å; R143-E162 PolarHBondContact NH2-OE2 2.75Å |
| 144 | H | 89.9 | Confident | 94.8 | Very high | 159 Ų | 159 | 62.1 Ų | 62.1 | 74% | 0.736 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -93 | -21.1 | -175.4 | -44 | 96.5 | 0 | 0 | 0 | 113.1 | D142 | D142-H144 VanDerWaalsContact C-N 3.29Å; D142-H144 PolarHBondContact O-N 3.43Å; D142-H144 WeakPolarHBondContact OD1-CA 3.26Å; D142-H144 WeakPolarHBondContact OD1-CB 3.34Å; D142-H144 IonicContact OD1-CG 3.47Å; D142-H144 PolarHBondContact OD1-N 2.79Å; D142-H144 IonicContact OD1-ND1 3.51Å; D142-H144 PolarHBondContact OD1-ND1 3.15Å; D142-H144 VanDerWaalsContact OD1-ND1 3.07Å |
| 145 | H | 87.1 | Confident | 94.9 | Very high | 101 Ų | 101 | 68.8 Ų | 68.8 | 47% | 0.468 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -60 | 150.6 | 162.2 | -76.2 | 146.1 | 0 | 0 | 0 | 110.8 | K58 M141 D142 | K58-H145 PolarHBondContact NZ-O 2.73Å; M141-H145 HydrophobicContact CB-CB 3.99Å; M141-H145 HydrophobicContact CE-CB 3.79Å; D142-H145 PolarHBondContact O-N 3.48Å; D142-H145 PolarHBondContact OD1-N 3.36Å; D142-H145 IonicContact OD2-CD2 3.1Å; D142-H145 IonicContact OD2-CE1 3.9Å; D142-H145 PolarHBondContact OD2-CE1 3.41Å; D142-H145 IonicContact OD2-CG 2.72Å; D142-H145 IonicContact OD2-ND1 2.84Å; D142-H145 PolarHBondContact OD2-ND1 3.07Å; D142-H145 IonicContact OD2-NE2 3.2Å |
| 146 | G | 89.8 | Confident | 94.8 | Very high | 52 Ų | 52 | 69.8 Ų | 69.8 | 54% | 0.536 | 35% | 0.352 | S | S | . | . | trans | -67.7 | -161.2 | -170 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 147 | T | 91 | Very high | 94.8 | Very high | 137 Ų | 137 | 73.4 Ų | 73.4 | 84% | 0.84 | 37% | 0.371 | S | S | * | . | trans | -67.6 | 124.6 | 172.9 | -51.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 148 | P | 93.6 | Very high | 94.6 | Very high | 21 Ų | 21 | 71.9 Ų | 71.9 | 14% | 0.136 | 37% | 0.372 | C | S | . | . | trans | -66.8 | 145.5 | 177.6 | 28.2 | -35.3 | 0 | 0 | 0 | 110.9 | F56 K58 M141 L150 | F56-P148 HydrophobicContact CB-CB 4.23Å; F56-P148 WeakPolarHBondContact O-CB 3.12Å; K58-P148 HydrophobicContact CB-CG 4.12Å; M141-P148 HydrophobicContact SD-CB 4.38Å; P148-L150 HydrophobicContact CB-CD2 4.13Å; P148-L150 HydrophobicContact CG-CD2 3.86Å; P148-L150 HydrophobicContact CG-CG 4.48Å; P148-L150 PolarHBondContact O-N 3.3Å | ||
| 149 | M | 93.1 | Very high | 94.3 | Very high | 133 Ų | 133 | 76 Ų | 76 | 66% | 0.655 | 40% | 0.397 | S | S | * | . | trans | -78.9 | 96.7 | 168.4 | -170.5 | 179.2 | 81.1 | 0 | 0 | 108.3 | ||||
| 150 | L | 96 | Very high | 93.6 | Very high | 61 Ų | 61 | 72.8 Ų | 72.8 | 32% | 0.319 | 39% | 0.388 | S | S | . | . | B | Isolated β-bridge | trans | -74.7 | 140.5 | 177.9 | -57.1 | -175.6 | 0 | 0 | 0 | 110.4 | F56 L57 Y63 P148 V154 C156 | F56-L150 WeakPolarHBondContact O-CD2 3.48Å; L57-L150 HydrophobicContact CD2-CD2 4.23Å; Y63-L150 HydrophobicContact CD1-CD1 4.5Å; Y63-L150 HydrophobicContact CD1-CD2 4.36Å; Y63-L150 HydrophobicContact CE1-CD1 4.1Å; Y63-L150 HydrophobicContact CE1-CD2 3.73Å; P148-L150 HydrophobicContact CB-CD2 4.13Å; P148-L150 HydrophobicContact CG-CD2 3.86Å; P148-L150 HydrophobicContact CG-CG 4.48Å; P148-L150 PolarHBondContact O-N 3.3Å; L150-V154 HydrophobicContact CB-CB 4.34Å; L150-V154 HydrophobicContact CB-CG1 4.45Å; L150-V154 HydrophobicContact CD2-CG1 4.02Å; L150-C156 HydrophobicContact CD1-CB 4.38Å |
| 151 | L | 96.5 | Very high | 92.2 | Very high | 16 Ų | 16 | 79.8 Ų | 79.8 | 8% | 0.084 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -78.9 | 155.1 | 172.8 | -49.6 | 178.6 | 0 | 0 | 0 | 110.2 | D37 V40 V54 G153 V154 | D37-L151 WeakPolarHBondContact O-CD2 3.46Å; V40-L151 HydrophobicContact CG2-CB 4.27Å; V54-L151 VanDerWaalsContact C-CD1 3.43Å; L151-G153 PolarHBondContact O-N 2.79Å; L151-V154 HydrophobicContact CB-CG2 4.27Å; L151-V154 WeakPolarHBondContact O-CB 3.46Å; L151-V154 PolarHBondContact O-N 2.85Å |
| 152 | E | 95.6 | Very high | 90.6 | Very high | 141 Ų | 141 | 83 Ų | 83 | 66% | 0.659 | 44% | 0.439 | S | S | * | . | B | Isolated β-bridge | trans | -54.6 | 130.1 | 163.8 | -178.1 | 176 | -166.1 | 0 | 0 | 109.6 | S38 V39 V40 | S38-E152 WeakPolarHBondContact O-CB 3.25Å; S38-E152 PolarHBondContact O-N 2.77Å; V39-E152 HydrophobicContact CB-CB 4.15Å; V39-E152 HydrophobicContact CG2-CB 4.14Å; V39-E152 HydrophobicContact CG2-CG 4.38Å; V40-E152 WeakPolarHBondContact CG2-O 3.46Å; V40-E152 PolarHBondContact N-O 2.76Å |
| 153 | G | 96.4 | Very high | 88.9 | Confident | 26 Ų | 26 | 91.7 Ų | 91.7 | 27% | 0.268 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.4 | -14.3 | -167.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | I65 V66 L151 | I65-G153 CarbonylContact C-O 3.53Å; I65-G153 WeakPolarHBondContact CA-O 3.42Å; V66-G153 PolarHBondContact N-O 3.31Å; V66-G153 WeakPolarHBondContact O-CA 3.4Å; L151-G153 PolarHBondContact O-N 2.79Å |
| 154 | V | 98.2 | Very high | 87.3 | Confident | 14 Ų | 14 | 89.8 Ų | 89.8 | 9% | 0.085 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 122.4 | 177.5 | -173.3 | 0 | 0 | 0 | 0 | 111 | V40 V54 L57 Y63 I65 L150 L151 | V40-V154 HydrophobicContact CG2-CG2 3.52Å; V54-V154 HydrophobicContact CB-CG2 4.06Å; L57-V154 HydrophobicContact CD2-CG1 3.73Å; Y63-V154 HydrophobicContact CD1-CG1 3.86Å; Y63-V154 HydrophobicContact CG-CG1 4.42Å; I65-V154 HydrophobicContact CG2-CG2 4.42Å; L150-V154 HydrophobicContact CB-CB 4.34Å; L150-V154 HydrophobicContact CB-CG1 4.45Å; L150-V154 HydrophobicContact CD2-CG1 4.02Å; L151-V154 HydrophobicContact CB-CG2 4.27Å; L151-V154 WeakPolarHBondContact O-CB 3.46Å; L151-V154 PolarHBondContact O-N 2.85Å |
| 155 | R | 98 | Very high | 85.8 | Confident | 142 Ų | 142 | 86.4 Ų | 86.4 | 54% | 0.536 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 124 | 179.2 | 178.9 | 167.2 | 66.5 | 152.4 | 3.9 | 110.8 | Y63 E64 I157 | Y63-R155 CarbonylContact C-O 3.38Å; Y63-R155 VanDerWaalsContact CA-O 3.26Å; Y63-R155 WeakPolarHBondContact CA-O 3.38Å; E64-R155 HydrophobicContact CB-CB 4.5Å; E64-R155 PolarHBondContact N-O 3.36Å; E64-R155 PolarHBondContact O-N 2.83Å; E64-R155 IonicContact OE1-CZ 3.56Å; E64-R155 IonicContact OE1-NE 3.15Å; E64-R155 PolarHBondContact OE1-NE 3.33Å; E64-R155 IonicContact OE1-NH2 3.58Å; E64-R155 PolarHBondContact OE1-NH2 2.78Å; E64-R155 IonicContact OE2-CZ 2.79Å; E64-R155 IonicContact OE2-NH2 3.07Å; E64-R155 PolarHBondContact OE2-NH2 2.83Å; R155-I157 HydrophobicContact CG-CG2 4.18Å; R155-I157 PolarHBondContact O-N 2.86Å |
| 156 | C | 97.1 | Very high | 84.3 | Confident | 56 Ų | 56 | 90.1 Ų | 90.1 | 38% | 0.378 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 124.5 | 166.8 | -175.6 | 0 | 0 | 0 | 0 | 109.3 | Y63 L150 | Y63-C156 HydrophobicContact CD1-CB 4.07Å; Y63-C156 HydrophobicContact CE1-CB 3.77Å; L150-C156 HydrophobicContact CD1-CB 4.38Å |
| 157 | I | 97.3 | Very high | 82.6 | Confident | 76 Ų | 76 | 94.6 Ų | 94.6 | 39% | 0.39 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | -7 | 179.6 | 59.8 | 168.7 | 0 | 0 | 0 | 113.3 | R62 E64 E107 R155 | R62-I157 HydrophobicContact CB-CG1 4.13Å; R62-I157 HydrophobicContact CG-CD1 4.01Å; R62-I157 HydrophobicContact CG-CG1 4Å; R62-I157 WeakPolarHBondContact O-CG1 3.31Å; R62-I157 PolarHBondContact O-N 2.86Å; E64-I157 HydrophobicContact CB-CD1 4.32Å; E64-I157 HydrophobicContact CB-CG2 3.69Å; E107-I157 HydrophobicContact CG-CD1 4.07Å; R155-I157 HydrophobicContact CG-CG2 4.18Å; R155-I157 PolarHBondContact O-N 2.86Å |
| 158 | G | 94.2 | Very high | 81.1 | Confident | 30 Ų | 30 | 91.8 Ų | 91.8 | 31% | 0.309 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.3 | 171.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | H61 R62 | H61-G158 WeakPolarHBondContact CA-O 3.35Å; R62-G158 PolarHBondContact N-O 3.47Å; R62-G158 PolarHBondContact O-N 3.1Å |
| 159 | T | 91.5 | Very high | 79.7 | Confident | 85 Ų | 85 | 97.7 Ų | 97.7 | 52% | 0.521 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 131.1 | 169.3 | 52.9 | 0 | 0 | 0 | 0 | 109.3 | Q60 L161 | Q60-T159 CarbonylContact O-C 3.6Å; Q60-T159 WeakPolarHBondContact O-CA 3.37Å; T159-L161 PolarHBondContact O-N 2.78Å |
| 160 | E | 83.8 | Confident | 78.7 | Confident | 74 Ų | 74 | 101.3 Ų | 101.3 | 35% | 0.346 | 51% | 0.512 | S | S | . | . | trans | -80.8 | 106.7 | 169.7 | -154.1 | 69 | -145.9 | 0 | 0 | 107.5 | Q60 R62 L109 L111 E162 | Q60-E160 PolarHBondContact O-N 3.48Å; R62-E160 IonicContact CZ-OE2 3.4Å; R62-E160 IonicContact NE-OE2 3.52Å; R62-E160 IonicContact NH2-OE1 3.64Å; R62-E160 IonicContact NH2-OE2 2.75Å; R62-E160 PolarHBondContact NH2-OE2 3.06Å; L109-E160 HydrophobicContact CD1-CB 4.09Å; L109-E160 HydrophobicContact CD1-CG 4.1Å; L109-E160 WeakPolarHBondContact CD1-OE2 3.5Å; L111-E160 HydrophobicContact CD2-CG 4.44Å; E160-E162 PolarHBondContact O-N 2.81Å | ||
| 161 | L | 69.2 | Low | 77.5 | Confident | 151 Ų | 151 | 106.9 Ų | 106.9 | 79% | 0.791 | 54% | 0.536 | S | S | * | . | trans | -70.7 | 113.9 | -177.2 | -69.3 | 172.5 | 0 | 0 | 0 | 110 | T159 Y163 | T159-L161 PolarHBondContact O-N 2.78Å; L161-Y163 PolarHBondContact O-N 2.94Å | ||
| 162 | E | 61 | Low | 76.5 | Confident | 114 Ų | 114 | 109.2 Ų | 109.2 | 53% | 0.533 | 56% | 0.564 | S | S | . | * | trans | -61.1 | 123.6 | 155.5 | -80.4 | 178 | 173.7 | 0 | 0 | 107.7 | Q60 R143 E160 D164 | Q60-E162 PolarHBondContact NE2-OE1 3.33Å; Q60-E162 PolarHBondContact NE2-OE2 3.22Å; R143-E162 IonicContact CZ-OE2 3.7Å; R143-E162 IonicContact NH1-OE2 3.06Å; R143-E162 PolarHBondContact NH1-OE2 2.75Å; R143-E162 IonicContact NH2-OE2 3.8Å; R143-E162 PolarHBondContact NH2-OE2 2.75Å; E160-E162 PolarHBondContact O-N 2.81Å; E162-D164 VanDerWaalsContact C-N 3.32Å; E162-D164 PolarHBondContact O-N 2.93Å | ||
| 163 | Y | 57.7 | Low | 75.2 | Confident | 211 Ų | 211 | 112.5 Ų | 112.5 | 83% | 0.827 | 58% | 0.577 | S | S | * | * | trans | -71.5 | 94.7 | 172.6 | -158.3 | -92.4 | 0 | 0 | 0 | 107.4 | L161 S165 | L161-Y163 PolarHBondContact O-N 2.94Å; Y163-S165 PolarHBondContact O-N 2.74Å; Y163-S165 PolarHBondContact O-OG 3.3Å | ||
| 164 | D | 56.8 | Low | 73.6 | Confident | 86 Ų | 86 | 122.7 Ų | 122.7 | 46% | 0.46 | 63% | 0.625 | S | S | . | * | trans | -64.4 | 85.9 | -174.6 | -169.4 | 11.6 | 0 | 0 | 0 | 110.3 | E162 E166 Q167 | E162-D164 VanDerWaalsContact C-N 3.32Å; E162-D164 PolarHBondContact O-N 2.93Å; D164-E166 PolarHBondContact O-N 3.17Å; D164-E166 VanDerWaalsContact O-N 3.1Å; D164-Q167 PolarHBondContact O-N 2.76Å; D164-Q167 PolarHBondContact OD2-NE2 2.96Å | ||
| 165 | S | 57.3 | Low | 72.4 | Confident | 87 Ų | 87 | 128.1 Ų | 128.1 | 61% | 0.608 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -69.1 | -11.9 | -169.6 | -60.6 | 0 | 0 | 0 | 0 | 111.8 | Y163 | Y163-S165 PolarHBondContact O-N 2.74Å; Y163-S165 PolarHBondContact O-OG 3.3Å |
| 166 | E | 55.9 | Low | 71 | Confident | 180 Ų | 180 | 127.4 Ų | 127.4 | 84% | 0.841 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -79.8 | -14 | 178.8 | -52.3 | -167.4 | -179.2 | 0 | 0 | 112.7 | D164 S168 | D164-E166 PolarHBondContact O-N 3.17Å; D164-E166 VanDerWaalsContact O-N 3.1Å; E166-S168 VanDerWaalsContact C-N 3.3Å; E166-S168 PolarHBondContact O-N 3.1Å |
| 167 | Q | 53.9 | Low | 69.6 | Low | 145 Ų | 145 | 131.3 Ų | 131.3 | 68% | 0.678 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -89.9 | 24.6 | 173.7 | -75.3 | -177.9 | 63.4 | 0 | 0 | 114.2 | D164 D169 | D164-Q167 PolarHBondContact O-N 2.76Å; D164-Q167 PolarHBondContact OD2-NE2 2.96Å; Q167-D169 PolarHBondContact O-N 3.41Å |
| 168 | S | 59 | Low | 67.9 | Low | 78 Ų | 78 | 134.6 Ų | 134.6 | 55% | 0.545 | 69% | 0.69 | S | S | . | * | trans | -78 | 71 | 171 | -75.4 | 0 | 0 | 0 | 0 | 111.8 | E166 W170 | E166-S168 VanDerWaalsContact C-N 3.3Å; E166-S168 PolarHBondContact O-N 3.1Å; S168-W170 PolarHBondContact O-N 2.8Å | ||
| 169 | D | 64.3 | Low | 66.3 | Low | 145 Ų | 145 | 141.1 Ų | 141.1 | 78% | 0.775 | 71% | 0.714 | S | S | * | * | trans | -68.8 | 40.3 | 170.9 | -80.4 | -31.2 | 0 | 0 | 0 | 112.8 | Q167 Q171 | Q167-D169 PolarHBondContact O-N 3.41Å; D169-Q171 VanDerWaalsContact C-N 3.27Å; D169-Q171 PolarHBondContact O-N 3.28Å | ||
| 170 | W | 72.8 | Confident | 64.6 | Low | 210 Ų | 210 | 144.9 Ų | 144.9 | 80% | 0.795 | 73% | 0.727 | S | S | * | * | trans | -72 | 80.7 | 175.9 | -79.8 | 108.7 | 0 | 0 | 0 | 110.8 | S168 G172 | S168-W170 PolarHBondContact O-N 2.8Å; W170-G172 PolarHBondContact O-N 2.84Å | ||
| 171 | Q | 71.9 | Confident | 63.2 | Low | 177 Ų | 177 | 149.9 Ų | 149.9 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | trans | -71.1 | 111.1 | 158.5 | -54.7 | -161.7 | 19.1 | 0 | 0 | 107.1 | D169 | D169-Q171 VanDerWaalsContact C-N 3.27Å; D169-Q171 PolarHBondContact O-N 3.28Å | ||
| 172 | G | 73.9 | Confident | 62.8 | Low | 66 Ų | 66 | 149.8 Ų | 149.8 | 68% | 0.68 | 75% | 0.752 | S | S | * | * | trans | -61.1 | 164.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | W170 | W170-G172 PolarHBondContact O-N 2.84Š| ||
| 173 | F | 69.9 | Low | 62.9 | Low | 209 Ų | 209 | 152.8 Ų | 152.8 | 92% | 0.917 | 77% | 0.77 | S | S | * | * | trans | -65.8 | 134 | 176.5 | -66.4 | -87.1 | 0 | 0 | 0 | 111.4 | ||||
| 174 | D | 61.8 | Low | 63.4 | Low | 240 Ų | 240 | 147.5 Ų | 147.5 | 100% | 1.283 | 77% | 0.765 | S | S | * | * | trans | -82.4 | 0 | 172.4 | -158.5 | 40.9 | 0 | 0 | 0 | 110.9 |
Retrieved 174 of 174 residues in 193.1 ms
(Link to these results)