| 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 | 63.8 | Low | 75.1 | Confident | 202 Ų | 202 | 131.1 Ų | 131.1 | 100% | 0.995 | 65% | 0.645 | S | S | * | * | 0 | -43.4 | 0 | -74.4 | -146.7 | -97.9 | 0 | 0 | 112.9 | Q3 R4 | M1-Q3 VanDerWaalsContact C-N 3.34Å; M1-Q3 PolarHBondContact O-N 3.11Å; M1-R4 PolarHBondContact O-N 3.43Å | |||
| 2 | F | 72.4 | Confident | 74 | Confident | 176 Ų | 176 | 130.4 Ų | 130.4 | 77% | 0.772 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -60.2 | -34.5 | 177.8 | -88.9 | -86.8 | 0 | 0 | 0 | 115.1 | R4 L5 S6 | F2-R4 PolarHBondContact O-N 3.43Å; F2-L5 PolarHBondContact O-N 2.81Å; F2-S6 PolarHBondContact O-N 3.02Å |
| 3 | Q | 76 | Confident | 72.9 | Confident | 155 Ų | 155 | 131 Ų | 131 | 72% | 0.724 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -64.5 | -37.2 | 179 | -76.7 | 155.9 | -5.8 | 0 | 0 | 113.5 | M1 L5 S6 N7 | M1-Q3 VanDerWaalsContact C-N 3.34Å; M1-Q3 PolarHBondContact O-N 3.11Å; Q3-L5 VanDerWaalsContact C-N 3.29Å; Q3-L5 PolarHBondContact O-N 3.34Å; Q3-S6 WeakPolarHBondContact O-CB 3.14Å; Q3-S6 PolarHBondContact O-N 2.95Å; Q3-N7 PolarHBondContact O-N 2.75Å; Q3-N7 PolarHBondContact O-OD1 2.67Å |
| 4 | R | 77 | Confident | 71.8 | Confident | 215 Ų | 215 | 134.3 Ų | 134.3 | 81% | 0.811 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -66.8 | -34.3 | 176.9 | -63.1 | -179.3 | 83.3 | 174.6 | 6.4 | 111.8 | M1 F2 L8 | M1-R4 PolarHBondContact O-N 3.43Å; F2-R4 PolarHBondContact O-N 3.43Å; R4-L8 WeakPolarHBondContact O-CB 3.19Å; R4-L8 PolarHBondContact O-N 3.21Å |
| 5 | L | 79.2 | Confident | 70.7 | Confident | 97 Ų | 97 | 137.6 Ų | 137.6 | 51% | 0.508 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -71.5 | -40 | 174.4 | -67.3 | 169.1 | 0 | 0 | 0 | 111 | F2 Q3 L8 L9 | F2-L5 PolarHBondContact O-N 2.81Å; Q3-L5 VanDerWaalsContact C-N 3.29Å; Q3-L5 PolarHBondContact O-N 3.34Å; L5-L8 PolarHBondContact O-N 3.13Å; L5-L9 WeakPolarHBondContact O-CB 3.11Å; L5-L9 WeakPolarHBondContact O-CD1 3.23Å; L5-L9 PolarHBondContact O-N 3.2Å; L5-L9 VanDerWaalsContact O-N 3.09Å |
| 6 | S | 80.4 | Confident | 69.1 | Low | 53 Ų | 53 | 136.9 Ų | 136.9 | 37% | 0.371 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -58.4 | -50 | 176.2 | -173.2 | 0 | 0 | 0 | 0 | 111.6 | F2 Q3 L8 L9 F10 | F2-S6 PolarHBondContact O-N 3.02Å; Q3-S6 WeakPolarHBondContact O-CB 3.14Å; Q3-S6 PolarHBondContact O-N 2.95Å; S6-L8 VanDerWaalsContact C-N 3.28Å; S6-L8 PolarHBondContact O-N 3.47Å; S6-L9 PolarHBondContact O-N 3.33Å; S6-L9 VanDerWaalsContact O-N 3.14Å; S6-F10 WeakPolarHBondContact O-CD2 3.37Å; S6-F10 PolarHBondContact O-N 3.06Å |
| 7 | N | 77.3 | Confident | 67.9 | Low | 66 Ų | 66 | 135.6 Ų | 135.6 | 35% | 0.353 | 71% | 0.706 | S | S | . | * | H | α-helix | trans | -70.7 | -27.2 | -177 | -63.7 | 14.3 | 0 | 0 | 0 | 112.1 | Q3 G11 D12 | Q3-N7 PolarHBondContact O-N 2.75Å; Q3-N7 PolarHBondContact O-OD1 2.67Å; N7-G11 VanDerWaalsContact O-CA 3.28Å; N7-G11 WeakPolarHBondContact O-CA 3.44Å; N7-G11 PolarHBondContact O-N 3.09Å; N7-D12 PolarHBondContact ND2-OD1 3.43Å; N7-D12 PolarHBondContact ND2-OD2 2.81Å |
| 8 | L | 78.6 | Confident | 66.9 | Low | 151 Ų | 151 | 132.1 Ų | 132.1 | 79% | 0.791 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -71.1 | -31.4 | 173.4 | -166.4 | 70.7 | 0 | 0 | 0 | 112.4 | R4 L5 S6 | R4-L8 WeakPolarHBondContact O-CB 3.19Å; R4-L8 PolarHBondContact O-N 3.21Å; L5-L8 PolarHBondContact O-N 3.13Å; S6-L8 VanDerWaalsContact C-N 3.28Å; S6-L8 PolarHBondContact O-N 3.47Å |
| 9 | L | 76.1 | Confident | 66.1 | Low | 130 Ų | 130 | 132.9 Ų | 132.9 | 68% | 0.681 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -88.5 | -36 | -178.6 | -83.2 | 157.1 | 0 | 0 | 0 | 113.1 | L5 S6 | L5-L9 WeakPolarHBondContact O-CB 3.11Å; L5-L9 WeakPolarHBondContact O-CD1 3.23Å; L5-L9 PolarHBondContact O-N 3.2Å; L5-L9 VanDerWaalsContact O-N 3.09Å; S6-L9 PolarHBondContact O-N 3.33Å; S6-L9 VanDerWaalsContact O-N 3.14Å |
| 10 | F | 78.9 | Confident | 65.3 | Low | 159 Ų | 159 | 134.6 Ų | 134.6 | 70% | 0.697 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -116 | -2.9 | -169.5 | -61.9 | -70.9 | 0 | 0 | 0 | 114.1 | S6 | S6-F10 WeakPolarHBondContact O-CD2 3.37Å; S6-F10 PolarHBondContact O-N 3.06Å |
| 11 | G | 66.9 | Low | 64.6 | Low | 38 Ų | 38 | 138.8 Ų | 138.8 | 39% | 0.392 | 73% | 0.725 | S | S | . | * | trans | 71.3 | 153.5 | -170.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | N7 | N7-G11 VanDerWaalsContact O-CA 3.28Å; N7-G11 WeakPolarHBondContact O-CA 3.44Å; N7-G11 PolarHBondContact O-N 3.09Å | ||
| 12 | D | 61.6 | Low | 64.2 | Low | 123 Ų | 123 | 131.3 Ų | 131.3 | 66% | 0.658 | 70% | 0.699 | S | S | * | * | trans | -75.6 | 132.5 | 174 | -143.8 | -11.5 | 0 | 0 | 0 | 109.2 | N7 E14 | N7-D12 PolarHBondContact ND2-OD1 3.43Å; N7-D12 PolarHBondContact ND2-OD2 2.81Å; D12-E14 PolarHBondContact O-N 3.42Å | ||
| 13 | V | 59.2 | Low | 63.4 | Low | 138 Ų | 138 | 129.4 Ų | 129.4 | 84% | 0.836 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -87 | 16.2 | -164.8 | -179 | 0 | 0 | 0 | 0 | 112.5 | ||
| 14 | E | 57.5 | Low | 62.1 | Low | 177 Ų | 177 | 128.4 Ų | 128.4 | 83% | 0.827 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -118.4 | 30.2 | -169.4 | -147.7 | -177.6 | 166.4 | 0 | 0 | 116.1 | D12 | D12-E14 PolarHBondContact O-N 3.42Š|
| 15 | E | 55.2 | Low | 61 | Low | 184 Ų | 184 | 122.1 Ų | 122.1 | 86% | 0.86 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -157.7 | 153.4 | 162.6 | -133.3 | 175.5 | 164.4 | 0 | 0 | 112 | ||
| 16 | V | 46.3 | Very low | 59.7 | Low | 127 Ų | 127 | 121.3 Ų | 121.3 | 77% | 0.77 | 69% | 0.693 | S | S | * | * | trans | 89.9 | 46 | -177.2 | -159 | 0 | 0 | 0 | 0 | 114.5 | A18 | V16-A18 VanDerWaalsContact C-N 3.27Š| ||
| 17 | A | 47.8 | Very low | 58.4 | Low | 115 Ų | 115 | 123.2 Ų | 123.2 | 95% | 0.95 | 70% | 0.702 | S | S | * | * | trans | -85.1 | 6.3 | 157.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 18 | A | 50.5 | Low | 57.6 | Low | 71 Ų | 71 | 124.2 Ų | 124.2 | 59% | 0.587 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -129.8 | 131.7 | -180 | 0 | 0 | 0 | 0 | 0 | 110.6 | V16 | V16-A18 VanDerWaalsContact C-N 3.27Š|
| 19 | D | 50.4 | Low | 56.4 | Low | 148 Ų | 148 | 126 Ų | 126 | 79% | 0.791 | 71% | 0.714 | S | S | * | * | trans | 73.6 | 87.4 | 171.4 | -64.3 | -23.4 | 0 | 0 | 0 | 118.3 | ||||
| 20 | L | 50 | Low | 55.6 | Low | 167 Ų | 167 | 122.3 Ų | 122.3 | 87% | 0.874 | 70% | 0.703 | S | S | * | * | trans | -159.9 | 87.2 | 131.3 | -76.2 | -165.5 | 0 | 0 | 0 | 110.1 | G22 | L20-G22 PolarHBondContact O-N 2.74Š| ||
| 21 | K | 50.9 | Low | 54.7 | Low | 223 Ų | 223 | 118.7 Ų | 118.7 | 97% | 0.97 | 69% | 0.691 | S | S | * | * | trans | -92.6 | 81.3 | 168.9 | -172.8 | 147.7 | -178.9 | -176.3 | 0 | 110.6 | ||||
| 22 | G | 56.6 | Low | 54.3 | Low | 44 Ų | 44 | 126.1 Ų | 126.1 | 45% | 0.454 | 72% | 0.715 | S | S | . | * | S | Bend | trans | -128.3 | 162 | 163.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | L20 N24 | L20-G22 PolarHBondContact O-N 2.74Å; G22-N24 PolarHBondContact O-N 3.03Å |
| 23 | P | 54.7 | Low | 54.3 | Low | 136 Ų | 136 | 125.3 Ų | 125.3 | 88% | 0.883 | 71% | 0.708 | S | S | * | * | trans | -61.4 | 112.9 | 172.5 | -13 | 26.6 | 0 | 0 | 0 | 108.4 | ||||
| 24 | N | 48.8 | Very low | 54.5 | Low | 134 Ų | 134 | 122 Ų | 122 | 72% | 0.717 | 70% | 0.701 | S | S | * | * | trans | -65.7 | 126.5 | 179.4 | -66 | -41.9 | 0 | 0 | 0 | 109 | G22 C26 | G22-N24 PolarHBondContact O-N 3.03Å; N24-C26 PolarHBondContact O-N 3.08Å | ||
| 25 | P | 54.1 | Low | 55.2 | Low | 83 Ų | 83 | 123.1 Ų | 123.1 | 54% | 0.539 | 70% | 0.698 | S | S | . | * | trans | -61.8 | 120.5 | 169.1 | 25.5 | -31.3 | 0 | 0 | 0 | 108.4 | V27 V38 | P25-V27 PolarHBondContact O-N 2.9Å; P25-V38 HydrophobicContact CB-CG1 4.31Å | ||
| 26 | C | 52.9 | Low | 56 | Low | 81 Ų | 81 | 121.2 Ų | 121.2 | 55% | 0.547 | 69% | 0.691 | S | S | . | * | trans | -79.1 | 112.7 | 178.2 | 34.6 | 0 | 0 | 0 | 0 | 109.6 | N24 | N24-C26 PolarHBondContact O-N 3.08Š| ||
| 27 | V | 52.8 | Low | 56.9 | Low | 92 Ų | 92 | 120.2 Ų | 120.2 | 56% | 0.558 | 68% | 0.68 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -83.7 | 121.8 | 172.8 | -176.1 | 0 | 0 | 0 | 0 | 107.5 | P25 | P25-V27 PolarHBondContact O-N 2.9Å |
| 28 | T | 60.4 | Low | 58.2 | Low | 87 Ų | 87 | 118.9 Ų | 118.9 | 53% | 0.534 | 66% | 0.66 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.3 | 143.5 | 167.9 | -2.2 | 0 | 0 | 0 | 0 | 107.7 | ||
| 29 | E | 53.8 | Low | 59 | Low | 188 Ų | 188 | 119.3 Ų | 119.3 | 88% | 0.879 | 65% | 0.653 | S | S | * | * | trans | -27.2 | 136.4 | -167.1 | -77 | -177.1 | 134.5 | 0 | 0 | 117 | ||||
| 30 | A | 59.1 | Low | 59.5 | Low | 54 Ų | 54 | 119.6 Ų | 119.6 | 45% | 0.446 | 65% | 0.654 | S | S | . | * | trans | -63.1 | 134.2 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | W35 M36 | A30-W35 WeakPolarHBondContact CA-O 3.43Å; A30-W35 VanDerWaalsContact CB-O 3.32Å; A30-W35 WeakPolarHBondContact CB-O 3.14Å; A30-M36 HydrophobicContact CB-CG 4.25Å | ||
| 31 | D | 59.3 | Low | 59.7 | Low | 83 Ų | 83 | 116.3 Ų | 116.3 | 44% | 0.444 | 65% | 0.65 | S | S | . | * | trans | -67.2 | 161.5 | 165.6 | 46.1 | -13.5 | 0 | 0 | 0 | 110.9 | E33 G34 | D31-E33 PolarHBondContact O-N 2.96Å; D31-G34 PolarHBondContact O-N 2.78Å | ||
| 32 | E | 58.8 | Low | 59.3 | Low | 193 Ų | 193 | 109.3 Ų | 109.3 | 90% | 0.902 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | 0.9 | -176.2 | 50.2 | -168 | 155.8 | 0 | 0 | 114.4 | ||
| 33 | E | 61.4 | Low | 58.8 | Low | 107 Ų | 107 | 116 Ų | 116 | 50% | 0.5 | 66% | 0.661 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.5 | 18.1 | 165.2 | -75.9 | 80.9 | -162 | 0 | 0 | 114.5 | D31 W35 | D31-E33 PolarHBondContact O-N 2.96Å; E33-W35 VanDerWaalsContact C-N 3.29Å; E33-W35 PolarHBondContact O-N 2.89Å; E33-W35 VanDerWaalsContact O-N 3.11Å |
| 34 | G | 62.2 | Low | 58.2 | Low | 67 Ų | 67 | 114.3 Ų | 114.3 | 69% | 0.691 | 65% | 0.652 | S | S | * | * | S | Bend | trans | 67 | 17.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 117 | D31 | D31-G34 PolarHBondContact O-N 2.78Š|
| 35 | W | 72.8 | Confident | 57.5 | Low | 202 Ų | 202 | 117 Ų | 117 | 77% | 0.765 | 66% | 0.658 | S | S | * | * | trans | -99.7 | 145.9 | 169.9 | -61.9 | 98.7 | 0 | 0 | 0 | 109.7 | A30 E33 | A30-W35 WeakPolarHBondContact CA-O 3.43Å; A30-W35 VanDerWaalsContact CB-O 3.32Å; A30-W35 WeakPolarHBondContact CB-O 3.14Å; E33-W35 VanDerWaalsContact C-N 3.29Å; E33-W35 PolarHBondContact O-N 2.89Å; E33-W35 VanDerWaalsContact O-N 3.11Å | ||
| 36 | M | 71.9 | Confident | 57 | Low | 144 Ų | 144 | 118.6 Ų | 118.6 | 71% | 0.709 | 67% | 0.671 | S | S | * | * | trans | -105.4 | 129.9 | 177.8 | -65.3 | -171.1 | -62.5 | 0 | 0 | 110.7 | A30 | A30-M36 HydrophobicContact CB-CG 4.25Š| ||
| 37 | L | 65.3 | Low | 56.3 | Low | 105 Ų | 105 | 120 Ų | 120 | 55% | 0.55 | 68% | 0.682 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.1 | 123.5 | 172.5 | -118.4 | 79.5 | 0 | 0 | 0 | 110.4 | ||
| 38 | V | 75.2 | Confident | 56 | Low | 87 Ų | 87 | 119.4 Ų | 119.4 | 53% | 0.527 | 69% | 0.694 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.9 | 108.7 | 173.1 | -173.7 | 0 | 0 | 0 | 0 | 108.8 | P25 L40 | P25-V38 HydrophobicContact CB-CG1 4.31Å; V38-L40 HydrophobicContact CG1-CD1 3.81Å |
| 39 | N | 67.2 | Low | 54.9 | Low | 80 Ų | 80 | 123.4 Ų | 123.4 | 43% | 0.428 | 71% | 0.708 | S | S | . | * | trans | -88.9 | 108.5 | 175.3 | -73.8 | -32.4 | 0 | 0 | 0 | 109.7 | A41 | N39-A41 PolarHBondContact O-N 2.7Š| ||
| 40 | L | 61.8 | Low | 54.6 | Low | 155 Ų | 155 | 122.5 Ų | 122.5 | 81% | 0.812 | 70% | 0.704 | S | S | * | * | trans | -82.6 | 103.5 | 166.4 | -93.8 | 70.8 | 0 | 0 | 0 | 108.9 | V38 | V38-L40 HydrophobicContact CG1-CD1 3.81Š| ||
| 41 | A | 54.5 | Low | 53.4 | Low | 97 Ų | 97 | 129.9 Ų | 129.9 | 80% | 0.802 | 72% | 0.72 | S | S | * | * | trans | -88.8 | 121.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | N39 | N39-A41 PolarHBondContact O-N 2.7Š| ||
| 42 | G | 41 | Very low | 52.3 | Low | 76 Ų | 76 | 133 Ų | 133 | 78% | 0.784 | 73% | 0.733 | S | S | * | * | trans | 169.4 | 92.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 43 | E | 45.9 | Very low | 51.5 | Low | 185 Ų | 185 | 129.7 Ų | 129.7 | 86% | 0.864 | 72% | 0.72 | S | S | * | * | trans | -55.9 | 140.3 | -178.8 | -76.6 | 145 | 102.9 | 0 | 0 | 116.7 | ||||
| 44 | S | 42.1 | Very low | 50.7 | Low | 101 Ų | 101 | 133.3 Ų | 133.3 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | 130.6 | 132.6 | 115.9 | 69.8 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 45 | K | 34.6 | Very low | 49.7 | Very low | 191 Ų | 191 | 140.2 Ų | 140.2 | 83% | 0.83 | 74% | 0.742 | S | S | * | * | trans | 83.7 | 109.9 | 150.5 | -69.1 | 166.7 | -175 | 170.8 | 0 | 120.9 | ||||
| 46 | S | 43.4 | Very low | 48.2 | Very low | 116 Ų | 116 | 136.5 Ų | 136.5 | 81% | 0.811 | 75% | 0.745 | S | S | * | * | trans | 49.3 | 107.3 | 138.1 | 72.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 47 | S | 38.1 | Very low | 47.1 | Very low | 111 Ų | 111 | 140.3 Ų | 140.3 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | -169.4 | 122 | 113.1 | 50.3 | 0 | 0 | 0 | 0 | 105.1 | |||||
| 48 | G | 46.7 | Very low | 46.1 | Very low | 78 Ų | 78 | 140.9 Ų | 140.9 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | 83.3 | 64.8 | 65.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 49 | M | 38.7 | Very low | 44.8 | Very low | 171 Ų | 171 | 142.7 Ų | 142.7 | 84% | 0.842 | 77% | 0.773 | S | S | * | * | trans | -170.3 | 93.1 | 155.3 | 41.5 | -169.3 | 176 | 0 | 0 | 110.9 | ||||
| 50 | E | 46.2 | Very low | 43.8 | Very low | 169 Ų | 169 | 150.3 Ų | 150.3 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | 36.8 | 91.3 | 119.7 | -160.9 | 176.9 | 130.8 | 0 | 0 | 116.6 | E52 | E50-E52 HydrophobicContact CG-CB 4.5Š| |||
| 51 | W | 35.3 | Very low | 42.8 | Very low | 209 Ų | 209 | 154.2 Ų | 154.2 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | trans | -97.5 | 112.5 | 137.4 | 51.1 | -96.7 | 0 | 0 | 0 | 105.8 | L53 | W51-L53 HydrophobicContact CE3-CB 4.27Å; W51-L53 HydrophobicContact CZ3-CB 3.72Å; W51-L53 HydrophobicContact CZ3-CD1 3.9Å; W51-L53 HydrophobicContact CZ3-CG 4.31Å; W51-L53 PolarHBondContact O-N 3.12Å | ||
| 52 | E | 36.4 | Very low | 42.5 | Very low | 150 Ų | 150 | 156.9 Ų | 156.9 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | trans | -69.5 | 101.8 | 178.6 | -171.1 | 142.8 | -158.7 | 0 | 0 | 109 | E50 H54 | E50-E52 HydrophobicContact CG-CB 4.5Å; E52-H54 PolarHBondContact O-N 3.01Å; E52-H54 VanDerWaalsContact O-N 3.12Å | ||
| 53 | L | 41.1 | Very low | 42.9 | Very low | 123 Ų | 123 | 158.8 Ų | 158.8 | 64% | 0.644 | 80% | 0.797 | S | S | * | * | trans | -54.9 | 114.9 | 162.7 | -172.8 | 68.7 | 0 | 0 | 0 | 107.1 | W51 R55 | W51-L53 HydrophobicContact CE3-CB 4.27Å; W51-L53 HydrophobicContact CZ3-CB 3.72Å; W51-L53 HydrophobicContact CZ3-CD1 3.9Å; W51-L53 HydrophobicContact CZ3-CG 4.31Å; W51-L53 PolarHBondContact O-N 3.12Å; L53-R55 VanDerWaalsContact C-N 3.26Å; L53-R55 PolarHBondContact O-N 2.88Å | ||
| 54 | H | 44.9 | Very low | 42.7 | Very low | 183 Ų | 183 | 155.6 Ų | 155.6 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | trans | -51.1 | 96.8 | 165.6 | -89.4 | -99.3 | 0 | 0 | 0 | 109.2 | E52 C56 | E52-H54 PolarHBondContact O-N 3.01Å; E52-H54 VanDerWaalsContact O-N 3.12Å; H54-C56 PolarHBondContact O-N 3.46Å; H54-C56 VanDerWaalsContact O-N 3.08Å | ||
| 55 | R | 40.2 | Very low | 42.9 | Very low | 212 Ų | 212 | 158.3 Ų | 158.3 | 80% | 0.8 | 80% | 0.799 | S | S | * | * | trans | -68.2 | 101 | 177.4 | -177.1 | -170.5 | -63.7 | -151.4 | 1.7 | 107.4 | L53 R57 | L53-R55 VanDerWaalsContact C-N 3.26Å; L53-R55 PolarHBondContact O-N 2.88Å; R55-R57 PolarHBondContact O-N 3.33Å | ||
| 56 | C | 41.6 | Very low | 43.2 | Very low | 123 Ų | 123 | 157.2 Ų | 157.2 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | trans | -63.4 | 107.9 | 156.8 | -76.1 | 0 | 0 | 0 | 0 | 107.4 | H54 | H54-C56 PolarHBondContact O-N 3.46Å; H54-C56 VanDerWaalsContact O-N 3.08Å | ||
| 57 | R | 49.5 | Very low | 43.1 | Very low | 225 Ų | 225 | 160.1 Ų | 160.1 | 85% | 0.849 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 131 | 173.6 | -95 | -179.9 | 167.1 | -174.1 | -2.5 | 109.9 | R55 V59 | R55-R57 PolarHBondContact O-N 3.33Å; R57-V59 PolarHBondContact O-N 3.19Å |
| 58 | P | 44.9 | Very low | 43.5 | Very low | 117 Ų | 117 | 160.6 Ų | 160.6 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 118.7 | 164.2 | 28.1 | -28.8 | 0 | 0 | 0 | 108.8 | R60 | P58-R60 PolarHBondContact O-N 3.42Š|
| 59 | V | 47.6 | Very low | 43.6 | Very low | 125 Ų | 125 | 165.4 Ų | 165.4 | 76% | 0.758 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 120 | 163.8 | 169.3 | 0 | 0 | 0 | 0 | 107.2 | R57 R61 | R57-V59 PolarHBondContact O-N 3.19Å; V59-R61 PolarHBondContact O-N 3.28Å; V59-R61 VanDerWaalsContact O-N 3.11Å |
| 60 | R | 46.1 | Very low | 43.5 | Very low | 239 Ų | 239 | 161.7 Ų | 161.7 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | trans | -59.3 | 111.4 | 171.4 | -66 | 177.2 | 113.2 | 120.5 | -0.9 | 108.3 | P58 | P58-R60 PolarHBondContact O-N 3.42Š| ||
| 61 | R | 41.2 | Very low | 43.4 | Very low | 237 Ų | 237 | 159.5 Ų | 159.5 | 89% | 0.894 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 125.1 | 160.9 | -74.9 | -163.5 | -176.4 | -176.8 | 2.8 | 108.6 | V59 | V59-R61 PolarHBondContact O-N 3.28Å; V59-R61 VanDerWaalsContact O-N 3.11Å |
| 62 | I | 47 | Very low | 43.2 | Very low | 154 Ų | 154 | 155.1 Ų | 155.1 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 143.1 | 179 | -62.9 | 155.5 | 0 | 0 | 0 | 109.1 | ||
| 63 | P | 48.7 | Very low | 43.5 | Very low | 115 Ų | 115 | 153.3 Ų | 153.3 | 75% | 0.747 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 134.9 | 173.3 | 31.8 | -29.6 | 0 | 0 | 0 | 110.6 | ||
| 64 | P | 43.4 | Very low | 43.6 | Very low | 119 Ų | 119 | 151.4 Ų | 151.4 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | trans | -103.4 | 102.1 | 163.8 | 33.7 | -20.5 | 0 | 0 | 0 | 108.8 | ||||
| 65 | D | 44.8 | Very low | 43.7 | Very low | 157 Ų | 157 | 148.2 Ų | 148.2 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | trans | -118.7 | 127.2 | 145.3 | -86.5 | -32.9 | 0 | 0 | 0 | 106.5 | ||||
| 66 | L | 41.7 | Very low | 43.9 | Very low | 168 Ų | 168 | 147.4 Ų | 147.4 | 88% | 0.88 | 82% | 0.818 | S | S | * | * | trans | 153 | 93.2 | 153.2 | -78.7 | 164.4 | 0 | 0 | 0 | 110.4 | ||||
| 67 | H | 40.7 | Very low | 43.8 | Very low | 177 Ų | 177 | 147.6 Ų | 147.6 | 82% | 0.819 | 82% | 0.819 | S | S | * | * | trans | 13.5 | 146.6 | 141.4 | -74.5 | -78.9 | 0 | 0 | 0 | 120.4 | ||||
| 68 | P | 46 | Very low | 43.3 | Very low | 121 Ų | 121 | 139.8 Ų | 139.8 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | -146.4 | 163.8 | 69.1 | 36.1 | -15.3 | 0 | 0 | 0 | 117.6 | |||||
| 69 | M | 48.8 | Very low | 43.1 | Very low | 179 Ų | 179 | 143.2 Ų | 143.2 | 88% | 0.882 | 82% | 0.815 | S | S | * | * | trans | -48.8 | 131.9 | 162.7 | -74 | -158.3 | 162.9 | 0 | 0 | 111.3 | ||||
| 70 | A | 37.4 | Very low | 43 | Very low | 93 Ų | 93 | 142.8 Ų | 142.8 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | trans | -120.6 | 94.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 71 | T | 43.8 | Very low | 42.5 | Very low | 124 Ų | 124 | 135.6 Ų | 135.6 | 76% | 0.761 | 82% | 0.818 | S | S | * | * | trans | -56.3 | 124.6 | 157.5 | -35.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 72 | C | 31.2 | Very low | 42.4 | Very low | 117 Ų | 117 | 128.2 Ų | 128.2 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | trans | -136.6 | 91.4 | 158 | 47.4 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 73 | S | 43 | Very low | 42.2 | Very low | 112 Ų | 112 | 125.5 Ų | 125.5 | 78% | 0.783 | 82% | 0.816 | S | S | * | * | 36.5 | 107.1 | 81.4 | -91.1 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 74 | G | 42.7 | Very low | 42.1 | Very low | 82 Ų | 82 | 125.3 Ų | 125.3 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | trans | -74.9 | 167.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 75 | S | 48 | Very low | 42.2 | Very low | 116 Ų | 116 | 131.2 Ų | 131.2 | 81% | 0.811 | 82% | 0.824 | S | S | * | * | trans | -147.6 | 124.6 | 150 | 69.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 76 | E | 43 | Very low | 42.2 | Very low | 196 Ų | 196 | 129.6 Ų | 129.6 | 92% | 0.916 | 83% | 0.825 | S | S | * | * | trans | -72.2 | 140.4 | 173.8 | -64.7 | 165.1 | 95.3 | 0 | 0 | 110.8 | ||||
| 77 | C | 40.7 | Very low | 41.9 | Very low | 126 Ų | 126 | 125.3 Ų | 125.3 | 85% | 0.851 | 82% | 0.822 | S | S | * | * | trans | -153.9 | 100.6 | 147.7 | 44 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 78 | G | 38.4 | Very low | 42.5 | Very low | 61 Ų | 61 | 122 Ų | 122 | 63% | 0.629 | 82% | 0.819 | S | S | * | * | trans | 58 | 112.1 | 133.2 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 79 | E | 41.4 | Very low | 42.3 | Very low | 189 Ų | 189 | 123.9 Ų | 123.9 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | 56.5 | 118.3 | 129.8 | -77.7 | 154.3 | 103 | 0 | 0 | 118.5 | |||||
| 80 | S | 44.7 | Very low | 42 | Very low | 117 Ų | 117 | 125.1 Ų | 125.1 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | -174 | 140.3 | 52.2 | -59.5 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 81 | G | 36 | Very low | 42.6 | Very low | 88 Ų | 88 | 124.7 Ų | 124.7 | 91% | 0.907 | 82% | 0.816 | S | S | * | * | trans | 90.6 | 98.4 | 142.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 82 | G | 39.2 | Very low | 42.5 | Very low | 82 Ų | 82 | 123.3 Ų | 123.3 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | trans | 151.5 | 93.9 | 157.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 83 | A | 42.4 | Very low | 43.3 | Very low | 97 Ų | 97 | 127.2 Ų | 127.2 | 80% | 0.802 | 82% | 0.82 | S | S | * | * | trans | -76.2 | 131.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 84 | S | 45.7 | Very low | 43.9 | Very low | 111 Ų | 111 | 127.5 Ų | 127.5 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | trans | 53.7 | 129.6 | 134 | -45.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 85 | R | 46.1 | Very low | 44.2 | Very low | 242 Ų | 242 | 132.5 Ų | 132.5 | 91% | 0.913 | 81% | 0.814 | S | S | * | * | -154.4 | 148.7 | 56.5 | -75.2 | 168 | 79.3 | -171.3 | 4.4 | 112.7 | |||||
| 86 | S | 44.2 | Very low | 44.9 | Very low | 124 Ų | 124 | 129.4 Ų | 129.4 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | trans | -62.8 | 145.4 | -176.8 | 54.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 87 | G | 35.4 | Very low | 45.8 | Very low | 78 Ų | 78 | 130.4 Ų | 130.4 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -168.2 | 75.8 | 159.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | E89 | G87-E89 PolarHBondContact O-N 3.01Š| ||
| 88 | S | 54.3 | Low | 46.6 | Very low | 108 Ų | 108 | 132.4 Ų | 132.4 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | -70.4 | 116.4 | 167.1 | 149.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 89 | E | 41.3 | Very low | 48.2 | Very low | 159 Ų | 159 | 134.3 Ų | 134.3 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | trans | -156 | 113.9 | 151.5 | -113.7 | 160.8 | -178.8 | 0 | 0 | 112.4 | G87 | G87-E89 PolarHBondContact O-N 3.01Š| ||
| 90 | R | 43.5 | Very low | 49.4 | Very low | 206 Ų | 206 | 131.2 Ų | 131.2 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | trans | 23.7 | 132.4 | 138.9 | -76.3 | 169.7 | -91 | -98.7 | -0.1 | 117.9 | ||||
| 91 | G | 49.4 | Very low | 50.5 | Low | 83 Ų | 83 | 128.3 Ų | 128.3 | 86% | 0.856 | 75% | 0.754 | S | S | * | * | trans | -49.4 | 146.6 | -172 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 92 | C | 42.2 | Very low | 52.1 | Low | 96 Ų | 96 | 127.5 Ų | 127.5 | 65% | 0.649 | 73% | 0.732 | S | S | * | * | trans | -145.2 | 118.6 | 154.7 | -146 | 0 | 0 | 0 | 0 | 105.5 | D94 | C92-D94 HydrophobicContact CB-CB 4.15Å; C92-D94 PolarHBondContact O-N 2.98Å; C92-D94 PolarHBondContact SG-OD2 2.9Å | ||
| 93 | M | 47.6 | Very low | 53.3 | Low | 199 Ų | 199 | 128.8 Ų | 128.8 | 98% | 0.98 | 73% | 0.726 | S | S | * | * | trans | -69.6 | 61.9 | 165 | -78.8 | -112.1 | 155.5 | 0 | 0 | 108.7 | ||||
| 94 | D | 55.1 | Low | 54 | Low | 117 Ų | 117 | 129.1 Ų | 129.1 | 63% | 0.626 | 72% | 0.721 | S | S | * | * | trans | -132.4 | 50 | -176 | -90.5 | -73.1 | 0 | 0 | 0 | 110.7 | C92 | C92-D94 HydrophobicContact CB-CB 4.15Å; C92-D94 PolarHBondContact O-N 2.98Å; C92-D94 PolarHBondContact SG-OD2 2.9Å | ||
| 95 | E | 50 | Low | 54.7 | Low | 188 Ų | 188 | 131.4 Ų | 131.4 | 88% | 0.879 | 72% | 0.717 | S | S | * | * | trans | -109.8 | 64 | 147.4 | -55.5 | -164.5 | 138.6 | 0 | 0 | 104.9 | W97 | E95-W97 PolarHBondContact O-N 2.78Š| ||
| 96 | S | 62.3 | Low | 55.3 | Low | 50 Ų | 50 | 124.9 Ų | 124.9 | 35% | 0.35 | 70% | 0.704 | S | S | . | * | 35.5 | 90 | 96.3 | -172.1 | 0 | 0 | 0 | 0 | 108 | F98 | S96-F98 VanDerWaalsContact CB-CE2 3.42Å; S96-F98 WeakPolarHBondContact O-CD2 3.15Å; S96-F98 PolarHBondContact O-N 3.17Å; S96-F98 WeakPolarHBondContact OG-CE2 3.13Å; S96-F98 WeakPolarHBondContact OG-CZ 3.41Å | |||
| 97 | W | 61.5 | Low | 56 | Low | 217 Ų | 217 | 122.8 Ų | 122.8 | 82% | 0.822 | 70% | 0.695 | S | S | * | * | trans | -56.9 | 77.1 | 172.9 | 52.5 | -78.1 | 0 | 0 | 0 | 108.1 | E95 V99 | E95-W97 PolarHBondContact O-N 2.78Å; W97-V99 HydrophobicContact CE3-CB 4.36Å; W97-V99 HydrophobicContact CE3-CG2 3.69Å; W97-V99 HydrophobicContact CZ3-CG2 4.13Å; W97-V99 PolarHBondContact O-N 3.24Å | ||
| 98 | F | 58.2 | Low | 57.1 | Low | 168 Ų | 168 | 128.6 Ų | 128.6 | 74% | 0.737 | 70% | 0.701 | S | S | * | * | trans | -71.8 | 84.4 | 170.9 | -68.5 | -72.7 | 0 | 0 | 0 | 106 | S96 T100 | S96-F98 VanDerWaalsContact CB-CE2 3.42Å; S96-F98 WeakPolarHBondContact O-CD2 3.15Å; S96-F98 PolarHBondContact O-N 3.17Å; S96-F98 WeakPolarHBondContact OG-CE2 3.13Å; S96-F98 WeakPolarHBondContact OG-CZ 3.41Å; F98-T100 VanDerWaalsContact C-N 3.3Å; F98-T100 PolarHBondContact O-N 3.11Å | ||
| 99 | V | 72.3 | Confident | 57.5 | Low | 102 Ų | 102 | 127 Ų | 127 | 62% | 0.618 | 70% | 0.702 | S | S | * | * | trans | -59.6 | 104.7 | 160.1 | 169.6 | 0 | 0 | 0 | 0 | 104.2 | W97 P101 | W97-V99 HydrophobicContact CE3-CB 4.36Å; W97-V99 HydrophobicContact CE3-CG2 3.69Å; W97-V99 HydrophobicContact CZ3-CG2 4.13Å; W97-V99 PolarHBondContact O-N 3.24Å; V99-P101 VanDerWaalsContact O-CD 3.23Å; V99-P101 WeakPolarHBondContact O-CD 2.99Å | ||
| 100 | T | 66.9 | Low | 57.9 | Low | 124 Ų | 124 | 124.3 Ų | 124.3 | 76% | 0.761 | 71% | 0.707 | S | S | * | * | trans | -54.6 | 113 | 168.4 | -48.3 | 0 | 0 | 0 | 0 | 105.8 | F98 | F98-T100 VanDerWaalsContact C-N 3.3Å; F98-T100 PolarHBondContact O-N 3.11Å | ||
| 101 | P | 66.1 | Low | 58.2 | Low | 56 Ų | 56 | 119.9 Ų | 119.9 | 36% | 0.364 | 70% | 0.703 | S | S | . | * | trans | -62.9 | 142.8 | -177.6 | 29.3 | -35 | 0 | 0 | 0 | 106.9 | V99 F105 T106 | V99-P101 VanDerWaalsContact O-CD 3.23Å; V99-P101 WeakPolarHBondContact O-CD 2.99Å; P101-F105 HydrophobicContact CB-CB 3.71Å; P101-F105 HydrophobicContact CB-CD2 4.28Å; P101-F105 HydrophobicContact CB-CG 4.02Å; P101-F105 HydrophobicContact CG-CB 3.99Å; P101-T106 HydrophobicContact CG-CG2 4.39Å | ||
| 102 | P | 69.7 | Low | 58.7 | Low | 70 Ų | 70 | 120.3 Ų | 120.3 | 46% | 0.455 | 70% | 0.698 | S | S | . | * | trans | -53.5 | 149.3 | -175.7 | 18.2 | -28.1 | 0 | 0 | 0 | 109.6 | C104 F105 | P102-C104 CarbonylContact O-C 3.5Å; P102-C104 PolarHBondContact O-N 2.94Å; P102-F105 HydrophobicContact CG-CD2 4.2Å; P102-F105 PolarHBondContact O-N 3Å | ||
| 103 | P | 64.2 | Low | 59.6 | Low | 109 Ų | 109 | 123.2 Ų | 123.2 | 71% | 0.708 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | -8 | -168.4 | 19.3 | -32.3 | 0 | 0 | 0 | 115.3 | F105 | P103-F105 PolarHBondContact O-N 3.35Š|
| 104 | C | 57.9 | Low | 60.2 | Low | 104 Ų | 104 | 118.6 Ų | 118.6 | 70% | 0.703 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -6.1 | 165.7 | 42.9 | 0 | 0 | 0 | 0 | 115.2 | P102 | P102-C104 CarbonylContact O-C 3.5Å; P102-C104 PolarHBondContact O-N 2.94Å |
| 105 | F | 60.8 | Low | 60.5 | Low | 159 Ų | 159 | 116.3 Ų | 116.3 | 70% | 0.697 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -105.9 | -14.2 | 178.3 | -87.3 | -90.2 | 0 | 0 | 0 | 114.6 | P101 P102 P103 | P101-F105 HydrophobicContact CB-CB 3.71Å; P101-F105 HydrophobicContact CB-CD2 4.28Å; P101-F105 HydrophobicContact CB-CG 4.02Å; P101-F105 HydrophobicContact CG-CB 3.99Å; P102-F105 HydrophobicContact CG-CD2 4.2Å; P102-F105 PolarHBondContact O-N 3Å; P103-F105 PolarHBondContact O-N 3.35Å |
| 106 | T | 57.7 | Low | 61.3 | Low | 105 Ų | 105 | 113.6 Ų | 113.6 | 64% | 0.644 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -113.9 | 6.7 | -176.7 | 52.2 | 0 | 0 | 0 | 0 | 114.1 | P101 E108 | P101-T106 HydrophobicContact CG-CG2 4.39Å; T106-E108 PolarHBondContact O-N 2.89Å |
| 107 | A | 59.6 | Low | 61 | Low | 81 Ų | 81 | 118 Ų | 118 | 67% | 0.669 | 69% | 0.694 | S | S | * | * | trans | -89.2 | 103.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | G109 | A107-G109 PolarHBondContact O-N 3.45Å; A107-G109 VanDerWaalsContact O-N 3.09Å | ||
| 108 | E | 59 | Low | 61 | Low | 200 Ų | 200 | 113 Ų | 113 | 94% | 0.935 | 68% | 0.679 | S | S | * | * | trans | -54.7 | 105.7 | 159.6 | -174.3 | 171.8 | 175.5 | 0 | 0 | 109.4 | T106 | T106-E108 PolarHBondContact O-N 2.89Š| ||
| 109 | G | 61.2 | Low | 61.3 | Low | 74 Ų | 74 | 110.8 Ų | 110.8 | 76% | 0.763 | 68% | 0.675 | S | S | * | * | trans | 81.8 | 101.9 | 156.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | A107 | A107-G109 PolarHBondContact O-N 3.45Å; A107-G109 VanDerWaalsContact O-N 3.09Å | ||
| 110 | A | 49.8 | Very low | 60.8 | Low | 103 Ų | 103 | 112.4 Ų | 112.4 | 85% | 0.851 | 68% | 0.68 | S | S | * | * | trans | -150.6 | 124.2 | 137.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | A112 | A110-A112 PolarHBondContact O-N 3.24Š| ||
| 111 | T | 51.3 | Low | 60.4 | Low | 113 Ų | 113 | 113.2 Ų | 113.2 | 69% | 0.693 | 68% | 0.679 | S | S | * | * | trans | -56.9 | 127.1 | -176.9 | 42.9 | 0 | 0 | 0 | 0 | 111.3 | E113 | T111-E113 VanDerWaalsContact C-N 3.33Å; T111-E113 PolarHBondContact O-N 3.31Å; T111-E113 PolarHBondContact OG1-OE1 2.86Å | ||
| 112 | A | 59.9 | Low | 60.2 | Low | 91 Ų | 91 | 116 Ų | 116 | 75% | 0.752 | 69% | 0.689 | S | S | * | * | trans | -71.3 | 96.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 107 | A110 T114 | A110-A112 PolarHBondContact O-N 3.24Å; A112-T114 VanDerWaalsContact C-N 3.29Å; A112-T114 PolarHBondContact O-N 3.47Å | ||
| 113 | E | 60.1 | Low | 59.7 | Low | 157 Ų | 157 | 120.6 Ų | 120.6 | 73% | 0.734 | 71% | 0.705 | S | S | * | * | trans | -61 | 94.1 | 168.1 | -54.9 | -69.1 | 127.4 | 0 | 0 | 107.6 | T111 S115 | T111-E113 VanDerWaalsContact C-N 3.33Å; T111-E113 PolarHBondContact O-N 3.31Å; T111-E113 PolarHBondContact OG1-OE1 2.86Å; E113-S115 VanDerWaalsContact C-N 3.3Å; E113-S115 PolarHBondContact O-N 2.97Å | ||
| 114 | T | 61.2 | Low | 59.3 | Low | 103 Ų | 103 | 122.3 Ų | 122.3 | 63% | 0.632 | 70% | 0.703 | S | S | * | * | trans | -64.6 | 92 | 171.5 | 49.4 | 0 | 0 | 0 | 0 | 107.9 | A112 E118 | A112-T114 VanDerWaalsContact C-N 3.29Å; A112-T114 PolarHBondContact O-N 3.47Å; T114-E118 WeakPolarHBondContact CA-OE1 3.34Å; T114-E118 WeakPolarHBondContact CB-OE1 3.26Å; T114-E118 VanDerWaalsContact CG2-OE1 3.26Å; T114-E118 WeakPolarHBondContact CG2-OE1 3.43Å | ||
| 115 | S | 60.4 | Low | 59.6 | Low | 68 Ų | 68 | 123.2 Ų | 123.2 | 48% | 0.476 | 71% | 0.707 | S | S | . | * | trans | -60.8 | 129.2 | -177.1 | -178.3 | 0 | 0 | 0 | 0 | 109.1 | E113 M117 E118 | E113-S115 VanDerWaalsContact C-N 3.3Å; E113-S115 PolarHBondContact O-N 2.97Å; S115-M117 PolarHBondContact O-N 2.76Å; S115-E118 WeakPolarHBondContact O-CG 3.27Å; S115-E118 PolarHBondContact O-N 3Å | ||
| 116 | P | 68.1 | Low | 59.4 | Low | 131 Ų | 131 | 120.5 Ų | 120.5 | 85% | 0.851 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | 18.1 | -176.3 | 26.6 | -34.6 | 0 | 0 | 0 | 114.9 | ||
| 117 | M | 55.5 | Low | 59.3 | Low | 143 Ų | 143 | 123.3 Ų | 123.3 | 70% | 0.704 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.6 | -2.5 | 173.9 | -123.5 | 170.9 | 62.5 | 0 | 0 | 112.7 | S115 | S115-M117 PolarHBondContact O-N 2.76Š|
| 118 | E | 61.6 | Low | 59 | Low | 112 Ų | 112 | 124.4 Ų | 124.4 | 52% | 0.523 | 72% | 0.719 | S | S | . | * | S | Bend | trans | -86.4 | -16.9 | -179.9 | 73.7 | -171.5 | 177 | 0 | 0 | 114 | T114 S115 L120 | T114-E118 WeakPolarHBondContact CA-OE1 3.34Å; T114-E118 WeakPolarHBondContact CB-OE1 3.26Å; T114-E118 VanDerWaalsContact CG2-OE1 3.26Å; T114-E118 WeakPolarHBondContact CG2-OE1 3.43Å; S115-E118 WeakPolarHBondContact O-CG 3.27Å; S115-E118 PolarHBondContact O-N 3Å; E118-L120 VanDerWaalsContact C-N 3.29Å; E118-L120 PolarHBondContact O-N 3.32Å |
| 119 | D | 64.7 | Low | 58.8 | Low | 121 Ų | 121 | 120.7 Ų | 120.7 | 65% | 0.647 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -86.5 | 3.6 | 178.9 | -157.7 | 29.3 | 0 | 0 | 0 | 113.7 | L121 I122 | D119-L121 VanDerWaalsContact C-N 3.28Å; D119-I122 WeakPolarHBondContact OD1-CD1 3.45Å |
| 120 | L | 61.3 | Low | 58.6 | Low | 136 Ų | 136 | 126.5 Ų | 126.5 | 71% | 0.712 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -86.2 | -1.9 | 170.6 | -61.1 | 178.2 | 0 | 0 | 0 | 112.6 | E118 | E118-L120 VanDerWaalsContact C-N 3.29Å; E118-L120 PolarHBondContact O-N 3.32Å |
| 121 | L | 59.2 | Low | 58.9 | Low | 142 Ų | 142 | 127.8 Ų | 127.8 | 74% | 0.743 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -105.2 | 18.1 | -178.1 | -64.4 | 178.4 | 0 | 0 | 0 | 113.7 | D119 E123 | D119-L121 VanDerWaalsContact C-N 3.28Å; L121-E123 PolarHBondContact O-N 3.32Å |
| 122 | I | 61 | Low | 59 | Low | 114 Ų | 114 | 126.5 Ų | 126.5 | 59% | 0.585 | 70% | 0.702 | S | S | * | * | trans | -87.2 | 54.1 | 155.3 | -35.4 | 179.7 | 0 | 0 | 0 | 108.3 | D119 H124 | D119-I122 WeakPolarHBondContact OD1-CD1 3.45Å; I122-H124 VanDerWaalsContact C-N 3.34Å; I122-H124 PolarHBondContact O-N 3.49Å | ||
| 123 | E | 60 | Low | 58.9 | Low | 166 Ų | 166 | 127.1 Ų | 127.1 | 78% | 0.776 | 70% | 0.699 | S | S | * | * | trans | -71.5 | 93.7 | 170.3 | -171.2 | 177.8 | 177.4 | 0 | 0 | 107.9 | L121 | L121-E123 PolarHBondContact O-N 3.32Š| ||
| 124 | H | 55.6 | Low | 58.5 | Low | 145 Ų | 145 | 126.6 Ų | 126.6 | 67% | 0.671 | 70% | 0.701 | S | S | * | * | trans | -66.3 | 137.7 | 164.8 | -80.2 | -84.6 | 0 | 0 | 0 | 109.4 | I122 S126 | I122-H124 VanDerWaalsContact C-N 3.34Å; I122-H124 PolarHBondContact O-N 3.49Å; H124-S126 PolarHBondContact O-N 2.71Å | ||
| 125 | P | 63.5 | Low | 58.3 | Low | 123 Ų | 123 | 129.2 Ų | 129.2 | 80% | 0.799 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | 28.2 | -173.9 | 29.5 | -36.6 | 0 | 0 | 0 | 115.6 | ||
| 126 | S | 56.9 | Low | 58.3 | Low | 103 Ų | 103 | 133.3 Ų | 133.3 | 72% | 0.72 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -151.1 | 24.5 | -174.9 | -53.3 | 0 | 0 | 0 | 0 | 117.2 | H124 | H124-S126 PolarHBondContact O-N 2.71Š|
| 127 | M | 56 | Low | 57.5 | Low | 164 Ų | 164 | 134 Ų | 134 | 81% | 0.808 | 72% | 0.722 | S | S | * | * | trans | -153.9 | 79.5 | 175.5 | -155.5 | 78.2 | 64.9 | 0 | 0 | 113.6 | ||||
| 128 | S | 52.7 | Low | 57.3 | Low | 103 Ų | 103 | 133.8 Ų | 133.8 | 72% | 0.72 | 73% | 0.733 | S | S | * | * | trans | -99.5 | 76 | 163.4 | 55.4 | 0 | 0 | 0 | 0 | 110.7 | Y130 | S128-Y130 VanDerWaalsContact C-N 3.34Å; S128-Y130 PolarHBondContact O-N 3.44Å | ||
| 129 | V | 54.6 | Low | 56.8 | Low | 122 Ų | 122 | 133.7 Ų | 133.7 | 74% | 0.739 | 75% | 0.745 | S | S | * | * | trans | -89.7 | 86.5 | 149.5 | -178.7 | 0 | 0 | 0 | 0 | 105.2 | V131 | V129-V131 PolarHBondContact O-N 3.14Š| ||
| 130 | Y | 56.3 | Low | 55.8 | Low | 196 Ų | 196 | 138.6 Ų | 138.6 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | trans | -58.8 | 111.7 | 168.2 | -94.4 | -90.7 | 0 | 0 | 0 | 107.7 | S128 S132 | S128-Y130 VanDerWaalsContact C-N 3.34Å; S128-Y130 PolarHBondContact O-N 3.44Å; Y130-S132 PolarHBondContact O-N 2.95Å | ||
| 131 | V | 57.3 | Low | 55 | Low | 131 Ų | 131 | 139 Ų | 139 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | trans | -55.8 | 101.3 | 152.6 | 173.6 | 0 | 0 | 0 | 0 | 105.2 | V129 P133 | V129-V131 PolarHBondContact O-N 3.14Å; V131-P133 WeakPolarHBondContact O-CD 3.42Å | ||
| 132 | S | 53.5 | Low | 54 | Low | 85 Ų | 85 | 138.6 Ų | 138.6 | 59% | 0.594 | 77% | 0.765 | S | S | * | * | trans | -65.7 | 119.5 | 178.8 | -73.8 | 0 | 0 | 0 | 0 | 108.7 | Y130 N134 | Y130-S132 PolarHBondContact O-N 2.95Å; S132-N134 PolarHBondContact O-N 2.88Å | ||
| 133 | P | 57.1 | Low | 53 | Low | 104 Ų | 104 | 140.4 Ų | 140.4 | 68% | 0.675 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -78.4 | 29.4 | 179.9 | 33.5 | -34.4 | 0 | 0 | 0 | 112.7 | V131 N135 | V131-P133 WeakPolarHBondContact O-CD 3.42Å; P133-N135 VanDerWaalsContact C-N 3.31Å; P133-N135 PolarHBondContact O-N 3.2Å |
| 134 | N | 51.5 | Low | 52.2 | Low | 147 Ų | 147 | 137.5 Ų | 137.5 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -87.1 | 4.2 | 177.6 | -81 | 30.4 | 0 | 0 | 0 | 113.7 | S132 | S132-N134 PolarHBondContact O-N 2.88Š|
| 135 | N | 57.7 | Low | 51.3 | Low | 157 Ų | 157 | 134.5 Ų | 134.5 | 84% | 0.84 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -96 | 11.7 | 177.8 | -88.5 | 2.1 | 0 | 0 | 0 | 115.2 | P133 | P133-N135 VanDerWaalsContact C-N 3.31Å; P133-N135 PolarHBondContact O-N 3.2Å |
| 136 | L | 59.6 | Low | 50.2 | Low | 154 Ų | 154 | 133.5 Ų | 133.5 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -115.8 | 14.9 | -176.8 | -78.9 | 169.7 | 0 | 0 | 0 | 116.3 | ||
| 137 | I | 52.9 | Low | 49.7 | Very low | 146 Ų | 146 | 134.2 Ų | 134.2 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | trans | -136.2 | 60.8 | 174.2 | -43 | 176.1 | 0 | 0 | 0 | 111 | ||||
| 138 | C | 49.9 | Very low | 49.3 | Very low | 138 Ų | 138 | 132.4 Ų | 132.4 | 93% | 0.932 | 77% | 0.772 | S | S | * | * | trans | -98.7 | 77.4 | 148.7 | -170.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 139 | S | 52.1 | Low | 48.7 | Very low | 110 Ų | 110 | 132.2 Ų | 132.2 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | -169.5 | 78.7 | 156.1 | -166.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 140 | R | 44 | Very low | 48.4 | Very low | 225 Ų | 225 | 132.8 Ų | 132.8 | 85% | 0.849 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -168.2 | 105.1 | 139.1 | 51.8 | -176.1 | -171.5 | 171.1 | 2.6 | 109.1 | ||
| 141 | V | 43.3 | Very low | 48 | Very low | 143 Ų | 143 | 134.7 Ų | 134.7 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | 0.6 | 113.6 | 154.4 | -174.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 142 | T | 38.1 | Very low | 47.5 | Very low | 134 Ų | 134 | 133.4 Ų | 133.4 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | -170.8 | 106.8 | 133.5 | -66.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 143 | E | 40.4 | Very low | 47.3 | Very low | 152 Ų | 152 | 135.7 Ų | 135.7 | 71% | 0.71 | 79% | 0.793 | S | S | * | * | trans | -74.9 | 141.2 | 160.4 | -161.1 | -89 | 144.8 | 0 | 0 | 106.7 | A145 | E143-A145 PolarHBondContact OE1-N 3.38Š| ||
| 144 | P | 42.6 | Very low | 47.7 | Very low | 106 Ų | 106 | 137.4 Ų | 137.4 | 69% | 0.688 | 79% | 0.794 | S | S | * | * | -148.7 | 154.3 | 66.7 | 34.7 | -11.1 | 0 | 0 | 0 | 121.5 | |||||
| 145 | A | 37.6 | Very low | 47.6 | Very low | 81 Ų | 81 | 136.6 Ų | 136.6 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | trans | 41.1 | 108.1 | 144.6 | 0 | 0 | 0 | 0 | 0 | 124.5 | E143 | E143-A145 PolarHBondContact OE1-N 3.38Š| ||
| 146 | A | 39.2 | Very low | 47.5 | Very low | 102 Ų | 102 | 135.1 Ų | 135.1 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | 63.4 | 143.7 | 135.5 | 0 | 0 | 0 | 0 | 0 | 125 | ||||
| 147 | P | 47.4 | Very low | 47.4 | Very low | 119 Ų | 119 | 138.7 Ų | 138.7 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -113.4 | -166.6 | -179.8 | 45 | -34.5 | 0 | 0 | 0 | 113.8 | ||||
| 148 | P | 47.6 | Very low | 47.5 | Very low | 126 Ų | 126 | 138 Ų | 138 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | cis | -126.1 | 159.8 | -28.5 | 31.4 | -12.6 | 0 | 0 | 0 | 113.8 | ||||
| 149 | A | 40.4 | Very low | 47.8 | Very low | 98 Ų | 98 | 137.2 Ų | 137.2 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | -133.8 | 129.1 | 167 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 150 | T | 47.8 | Very low | 48.3 | Very low | 135 Ų | 135 | 143.9 Ų | 143.9 | 83% | 0.828 | 80% | 0.803 | S | S | * | * | trans | -37.5 | 136.1 | 168.2 | 37.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 151 | R | 47.5 | Very low | 49.1 | Very low | 236 Ų | 236 | 136 Ų | 136 | 89% | 0.891 | 79% | 0.792 | S | S | * | * | -171.3 | 121.7 | 119.6 | -103 | 170.4 | 89.8 | 177.2 | 5.7 | 112.7 | |||||
| 152 | S | 48.4 | Very low | 49.7 | Very low | 103 Ų | 103 | 133.1 Ų | 133.1 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | trans | -39.4 | 131.3 | 158.9 | 173.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 153 | T | 48.6 | Very low | 50.5 | Low | 133 Ų | 133 | 131.1 Ų | 131.1 | 82% | 0.816 | 78% | 0.78 | S | S | * | * | trans | -139.7 | 100.5 | 153.8 | -59.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 154 | M | 64.3 | Low | 51.3 | Low | 140 Ų | 140 | 128.6 Ų | 128.6 | 69% | 0.69 | 79% | 0.786 | S | S | * | * | trans | -61.1 | 142.5 | 169.5 | -68.2 | -69.9 | -76.2 | 0 | 0 | 109.7 | T156 | M154-T156 VanDerWaalsContact C-N 3.33Å; M154-T156 PolarHBondContact O-N 3.27Å | ||
| 155 | P | 50 | Low | 52 | Low | 130 Ų | 130 | 130.4 Ų | 130.4 | 84% | 0.844 | 79% | 0.785 | S | S | * | * | trans | -75.6 | 90.4 | 169 | 30.7 | -30 | 0 | 0 | 0 | 108.6 | ||||
| 156 | T | 55.5 | Low | 52.9 | Low | 127 Ų | 127 | 129.4 Ų | 129.4 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | trans | -96.2 | 88.2 | 164.3 | -55.6 | 0 | 0 | 0 | 0 | 109.2 | M154 | M154-T156 VanDerWaalsContact C-N 3.33Å; M154-T156 PolarHBondContact O-N 3.27Å | ||
| 157 | R | 57.4 | Low | 53.7 | Low | 228 Ų | 228 | 126.9 Ų | 126.9 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | trans | -157 | 98.7 | 137 | -155.7 | 178.2 | -84.4 | -145.5 | 0.2 | 109 | S159 | R157-S159 PolarHBondContact O-N 2.7Å; R157-S159 VanDerWaalsContact O-N 3.17Å | ||
| 158 | V | 55.2 | Low | 54.3 | Low | 133 Ų | 133 | 124.3 Ų | 124.3 | 81% | 0.806 | 75% | 0.749 | S | S | * | * | trans | -57 | 117.3 | 165.7 | -145.9 | 0 | 0 | 0 | 0 | 106.8 | R160 | V158-R160 PolarHBondContact O-N 3.45Š| ||
| 159 | S | 57.3 | Low | 54.8 | Low | 120 Ų | 120 | 123.6 Ų | 123.6 | 84% | 0.839 | 74% | 0.738 | S | S | * | * | trans | -67.1 | 80.5 | 172.2 | -68.8 | 0 | 0 | 0 | 0 | 109.4 | R157 G161 | R157-S159 PolarHBondContact O-N 2.7Å; R157-S159 VanDerWaalsContact O-N 3.17Å; S159-G161 PolarHBondContact O-N 3.04Å; S159-G161 VanDerWaalsContact O-N 3.08Å | ||
| 160 | R | 61.9 | Low | 55.9 | Low | 250 Ų | 250 | 121.7 Ų | 121.7 | 94% | 0.943 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 92.9 | 169.8 | -177.8 | -179.8 | -76.9 | -166.2 | -3.3 | 107.6 | V158 | V158-R160 PolarHBondContact O-N 3.45Š|
| 161 | G | 60.2 | Low | 56.6 | Low | 59 Ų | 59 | 122.5 Ų | 122.5 | 61% | 0.608 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -175.9 | 3.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | S159 | S159-G161 PolarHBondContact O-N 3.04Å; S159-G161 VanDerWaalsContact O-N 3.08Å |
| 162 | A | 56.3 | Low | 57.4 | Low | 84 Ų | 84 | 115.8 Ų | 115.8 | 69% | 0.694 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -84.5 | -22.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | A164 | A162-A164 PolarHBondContact O-N 3.44Š|
| 163 | A | 55.3 | Low | 58.7 | Low | 91 Ų | 91 | 113.4 Ų | 113.4 | 75% | 0.752 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -73.5 | -27.1 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q165 A166 | A163-Q165 VanDerWaalsContact C-N 3.34Å; A163-Q165 PolarHBondContact O-N 3.16Å; A163-A166 WeakPolarHBondContact O-CB 3.21Å; A163-A166 PolarHBondContact O-N 3.34Å |
| 164 | A | 56.7 | Low | 60 | Low | 100 Ų | 100 | 113.4 Ų | 113.4 | 83% | 0.826 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -76.3 | -19.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | A162 | A162-A164 PolarHBondContact O-N 3.44Š|
| 165 | Q | 57.5 | Low | 61 | Low | 144 Ų | 144 | 110.6 Ų | 110.6 | 67% | 0.673 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -91.2 | -5.3 | 176.3 | -66.8 | -165.2 | -12.6 | 0 | 0 | 113.4 | A163 G167 A168 L169 | A163-Q165 VanDerWaalsContact C-N 3.34Å; A163-Q165 PolarHBondContact O-N 3.16Å; Q165-G167 VanDerWaalsContact C-N 3.32Å; Q165-G167 PolarHBondContact O-N 3.06Å; Q165-A168 PolarHBondContact O-N 3.19Å; Q165-L169 VanDerWaalsContact O-CB 3.24Å; Q165-L169 WeakPolarHBondContact O-CB 3.22Å; Q165-L169 PolarHBondContact O-N 3.18Å |
| 166 | A | 55.7 | Low | 62.8 | Low | 60 Ų | 60 | 105.4 Ų | 105.4 | 50% | 0.496 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -60.2 | -39.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A163 A170 | A163-A166 WeakPolarHBondContact O-CB 3.21Å; A163-A166 PolarHBondContact O-N 3.34Å; A166-A170 VanDerWaalsContact O-CB 3.22Å; A166-A170 WeakPolarHBondContact O-CB 3.39Å; A166-A170 PolarHBondContact O-N 2.81Å |
| 167 | G | 56.8 | Low | 64.4 | Low | 48 Ų | 48 | 107.7 Ų | 107.7 | 50% | 0.495 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -73.8 | -38.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q165 K171 | Q165-G167 VanDerWaalsContact C-N 3.32Å; Q165-G167 PolarHBondContact O-N 3.06Å; G167-K171 PolarHBondContact O-N 3.39Å |
| 168 | A | 59.3 | Low | 66.1 | Low | 65 Ų | 65 | 101.1 Ų | 101.1 | 54% | 0.537 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -69.4 | -43.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q165 A170 K171 V172 | Q165-A168 PolarHBondContact O-N 3.19Å; A168-A170 PolarHBondContact O-N 3.26Å; A168-K171 PolarHBondContact O-N 3.06Å; A168-V172 VanDerWaalsContact O-CG2 3.3Å; A168-V172 WeakPolarHBondContact O-CG2 3.37Å; A168-V172 PolarHBondContact O-N 2.87Å |
| 169 | L | 58.7 | Low | 67.9 | Low | 112 Ų | 112 | 100.9 Ų | 100.9 | 59% | 0.586 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.6 | -36.5 | 177.4 | -170.2 | 66.5 | 0 | 0 | 0 | 112.1 | Q165 V172 T173 | Q165-L169 VanDerWaalsContact O-CB 3.24Å; Q165-L169 WeakPolarHBondContact O-CB 3.22Å; Q165-L169 PolarHBondContact O-N 3.18Å; L169-V172 PolarHBondContact O-N 2.79Å; L169-T173 WeakPolarHBondContact O-CB 3.24Å; L169-T173 PolarHBondContact O-N 3.5Å; L169-T173 PolarHBondContact O-OG1 3.5Å |
| 170 | A | 63.1 | Low | 69.5 | Low | 58 Ų | 58 | 101.7 Ų | 101.7 | 48% | 0.479 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63 | -44 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A166 A168 T173 Q174 | A166-A170 VanDerWaalsContact O-CB 3.22Å; A166-A170 WeakPolarHBondContact O-CB 3.39Å; A166-A170 PolarHBondContact O-N 2.81Å; A168-A170 PolarHBondContact O-N 3.26Å; A170-T173 WeakPolarHBondContact O-CB 3.36Å; A170-T173 PolarHBondContact O-N 2.86Å; A170-Q174 PolarHBondContact O-N 2.95Å |
| 171 | K | 62.8 | Low | 70.9 | Confident | 151 Ų | 151 | 96 Ų | 96 | 66% | 0.657 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.5 | -42.4 | 175.5 | -69.5 | -178.4 | -179.1 | -177.7 | 0 | 111.9 | G167 A168 T173 Q174 V175 | G167-K171 PolarHBondContact O-N 3.39Å; A168-K171 PolarHBondContact O-N 3.06Å; K171-T173 VanDerWaalsContact C-N 3.25Å; K171-T173 PolarHBondContact O-N 3.38Å; K171-Q174 PolarHBondContact O-N 3.45Å; K171-V175 WeakPolarHBondContact O-CG2 3.39Å; K171-V175 PolarHBondContact O-N 3.2Å |
| 172 | V | 64.7 | Low | 72.5 | Confident | 95 Ų | 95 | 99.8 Ų | 99.8 | 58% | 0.576 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.8 | -35 | 173.7 | 172 | 0 | 0 | 0 | 0 | 111.2 | A168 L169 A176 | A168-V172 VanDerWaalsContact O-CG2 3.3Å; A168-V172 WeakPolarHBondContact O-CG2 3.37Å; A168-V172 PolarHBondContact O-N 2.87Å; L169-V172 PolarHBondContact O-N 2.79Å; V172-A176 VanDerWaalsContact O-CB 3.23Å; V172-A176 WeakPolarHBondContact O-CB 3.38Å; V172-A176 PolarHBondContact O-N 3.4Å |
| 173 | T | 75.1 | Confident | 74 | Confident | 54 Ų | 54 | 98.3 Ų | 98.3 | 33% | 0.331 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -69.2 | -39.1 | 176.5 | -54.4 | 0 | 0 | 0 | 0 | 112 | L169 A170 K171 A176 R177 | L169-T173 WeakPolarHBondContact O-CB 3.24Å; L169-T173 PolarHBondContact O-N 3.5Å; L169-T173 PolarHBondContact O-OG1 3.5Å; A170-T173 WeakPolarHBondContact O-CB 3.36Å; A170-T173 PolarHBondContact O-N 2.86Å; K171-T173 VanDerWaalsContact C-N 3.25Å; K171-T173 PolarHBondContact O-N 3.38Å; T173-A176 PolarHBondContact O-N 2.85Å; T173-R177 VanDerWaalsContact O-CG 3.26Å; T173-R177 WeakPolarHBondContact O-CG 3.49Å; T173-R177 PolarHBondContact O-N 3.04Å |
| 174 | Q | 76.5 | Confident | 75.6 | Confident | 133 Ų | 133 | 101.2 Ų | 101.2 | 62% | 0.621 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65 | -47.1 | 175.1 | -173.7 | -179.3 | -4.9 | 0 | 0 | 111.5 | A170 K171 A176 R177 V178 | A170-Q174 PolarHBondContact O-N 2.95Å; K171-Q174 PolarHBondContact O-N 3.45Å; Q174-A176 VanDerWaalsContact C-N 3.33Å; Q174-A176 PolarHBondContact O-N 3.12Å; Q174-R177 WeakPolarHBondContact O-CB 3.48Å; Q174-R177 PolarHBondContact O-N 3.37Å; Q174-R177 VanDerWaalsContact O-N 3.13Å; Q174-V178 WeakPolarHBondContact O-CG2 3.39Å; Q174-V178 PolarHBondContact O-N 3.2Å |
| 175 | V | 84.2 | Confident | 77 | Confident | 80 Ų | 80 | 99.4 Ų | 99.4 | 49% | 0.485 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 176.3 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | K171 R177 V178 Q179 | K171-V175 WeakPolarHBondContact O-CG2 3.39Å; K171-V175 PolarHBondContact O-N 3.2Å; V175-R177 VanDerWaalsContact C-N 3.3Å; V175-R177 PolarHBondContact O-N 3.41Å; V175-V178 PolarHBondContact O-N 3.11Å; V175-Q179 HydrophobicContact CG1-CG 4.26Å; V175-Q179 WeakPolarHBondContact O-CB 3.28Å; V175-Q179 WeakPolarHBondContact O-CG 3.44Å; V175-Q179 PolarHBondContact O-N 2.89Å |
| 176 | A | 87.6 | Confident | 78.4 | Confident | 22 Ų | 22 | 97.5 Ų | 97.5 | 18% | 0.182 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -64 | -33.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V172 T173 Q174 R180 | V172-A176 VanDerWaalsContact O-CB 3.23Å; V172-A176 WeakPolarHBondContact O-CB 3.38Å; V172-A176 PolarHBondContact O-N 3.4Å; T173-A176 PolarHBondContact O-N 2.85Å; Q174-A176 VanDerWaalsContact C-N 3.33Å; Q174-A176 PolarHBondContact O-N 3.12Å; A176-R180 VanDerWaalsContact O-CB 3.25Å; A176-R180 WeakPolarHBondContact O-CB 3.35Å; A176-R180 WeakPolarHBondContact O-CG 3.41Å; A176-R180 PolarHBondContact O-N 3.47Å |
| 177 | R | 90.9 | Very high | 79.5 | Confident | 175 Ų | 175 | 104.2 Ų | 104.2 | 66% | 0.66 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.7 | -46.4 | 174 | -76.7 | 172.5 | -179.4 | -173 | 0.9 | 111.4 | T173 Q174 V175 R180 Y181 | T173-R177 VanDerWaalsContact O-CG 3.26Å; T173-R177 WeakPolarHBondContact O-CG 3.49Å; T173-R177 PolarHBondContact O-N 3.04Å; Q174-R177 WeakPolarHBondContact O-CB 3.48Å; Q174-R177 PolarHBondContact O-N 3.37Å; Q174-R177 VanDerWaalsContact O-N 3.13Å; V175-R177 VanDerWaalsContact C-N 3.3Å; V175-R177 PolarHBondContact O-N 3.41Å; R177-R180 PolarHBondContact O-N 3.45Å; R177-Y181 WeakPolarHBondContact O-CB 3.28Å; R177-Y181 PolarHBondContact O-N 2.94Å |
| 178 | V | 92.8 | Very high | 80.6 | Confident | 90 Ų | 90 | 109.7 Ų | 109.7 | 55% | 0.545 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.4 | -44.6 | 178 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | Q174 V175 R180 Y181 K182 | Q174-V178 WeakPolarHBondContact O-CG2 3.39Å; Q174-V178 PolarHBondContact O-N 3.2Å; V175-V178 PolarHBondContact O-N 3.11Å; V178-R180 PolarHBondContact O-N 3.39Å; V178-Y181 PolarHBondContact O-N 2.97Å; V178-K182 WeakPolarHBondContact O-CB 3.21Å; V178-K182 PolarHBondContact O-N 3.07Å |
| 179 | Q | 92.7 | Very high | 81.5 | Confident | 127 Ų | 127 | 111.9 Ų | 111.9 | 59% | 0.593 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65 | -39.7 | 177 | -72.6 | 179 | -5.1 | 0 | 0 | 112.3 | V175 K182 A183 | V175-Q179 HydrophobicContact CG1-CG 4.26Å; V175-Q179 WeakPolarHBondContact O-CB 3.28Å; V175-Q179 WeakPolarHBondContact O-CG 3.44Å; V175-Q179 PolarHBondContact O-N 2.89Å; Q179-K182 PolarHBondContact O-N 2.99Å; Q179-A183 WeakPolarHBondContact O-CB 3.27Å; Q179-A183 PolarHBondContact O-N 2.9Å |
| 180 | R | 90.3 | Very high | 82.1 | Confident | 138 Ų | 138 | 112 Ų | 112 | 52% | 0.521 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.3 | -37.1 | 173.6 | -74.5 | 177.9 | -166.8 | 119.7 | -4.6 | 112.2 | A176 R177 V178 R184 | A176-R180 VanDerWaalsContact O-CB 3.25Å; A176-R180 WeakPolarHBondContact O-CB 3.35Å; A176-R180 WeakPolarHBondContact O-CG 3.41Å; A176-R180 PolarHBondContact O-N 3.47Å; R177-R180 PolarHBondContact O-N 3.45Å; V178-R180 PolarHBondContact O-N 3.39Å; R180-R184 VanDerWaalsContact O-CG 3.25Å; R180-R184 WeakPolarHBondContact O-CG 3.33Å; R180-R184 PolarHBondContact O-N 3.13Å |
| 181 | Y | 92.4 | Very high | 83 | Confident | 130 Ų | 130 | 111.7 Ų | 111.7 | 51% | 0.51 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.9 | -48.8 | 173.1 | 175.6 | -94.1 | 0 | 0 | 0 | 110.8 | R177 V178 A183 R184 M185 | R177-Y181 WeakPolarHBondContact O-CB 3.28Å; R177-Y181 PolarHBondContact O-N 2.94Å; V178-Y181 PolarHBondContact O-N 2.97Å; Y181-A183 PolarHBondContact O-N 2.9Å; Y181-R184 WeakPolarHBondContact O-CB 3.43Å; Y181-R184 PolarHBondContact O-N 3.38Å; Y181-R184 VanDerWaalsContact O-N 3.12Å; Y181-M185 HydrophobicContact CD1-CG 4.31Å; Y181-M185 HydrophobicContact CE1-CG 3.88Å; Y181-M185 HydrophobicContact CE2-CG 4.38Å; Y181-M185 PolarHBondContact O-N 3.03Å |
| 182 | K | 92.4 | Very high | 84.1 | Confident | 138 Ų | 138 | 112.6 Ų | 112.6 | 60% | 0.6 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59 | -45 | 176.4 | -171.3 | 177.1 | 176.5 | 176.1 | 0 | 112.2 | V178 Q179 R184 M185 E186 | V178-K182 WeakPolarHBondContact O-CB 3.21Å; V178-K182 PolarHBondContact O-N 3.07Å; Q179-K182 PolarHBondContact O-N 2.99Å; K182-R184 VanDerWaalsContact C-N 3.3Å; K182-R184 PolarHBondContact O-N 2.92Å; K182-M185 PolarHBondContact O-N 2.87Å; K182-E186 WeakPolarHBondContact O-CB 3.49Å; K182-E186 WeakPolarHBondContact O-CG 3.34Å; K182-E186 PolarHBondContact O-N 3.49Å |
| 183 | A | 89 | Confident | 85.3 | Confident | 53 Ų | 53 | 110 Ų | 110 | 44% | 0.438 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.8 | -34.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q179 Y181 R187 | Q179-A183 WeakPolarHBondContact O-CB 3.27Å; Q179-A183 PolarHBondContact O-N 2.9Å; Y181-A183 PolarHBondContact O-N 2.9Å; A183-R187 WeakPolarHBondContact O-CG 3.49Å; A183-R187 PolarHBondContact O-N 3.5Å; A183-R187 VanDerWaalsContact O-N 3.16Å |
| 184 | R | 87.7 | Confident | 85.8 | Confident | 152 Ų | 152 | 113.1 Ų | 113.1 | 57% | 0.574 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -69.1 | -40.6 | 173.9 | -74.2 | 176 | -173.2 | 116.8 | -3.8 | 111.8 | R180 Y181 K182 R187 R188 | R180-R184 VanDerWaalsContact O-CG 3.25Å; R180-R184 WeakPolarHBondContact O-CG 3.33Å; R180-R184 PolarHBondContact O-N 3.13Å; Y181-R184 WeakPolarHBondContact O-CB 3.43Å; Y181-R184 PolarHBondContact O-N 3.38Å; Y181-R184 VanDerWaalsContact O-N 3.12Å; K182-R184 VanDerWaalsContact C-N 3.3Å; K182-R184 PolarHBondContact O-N 2.92Å; R184-R187 PolarHBondContact O-N 2.95Å; R184-R188 WeakPolarHBondContact O-CG 3.21Å; R184-R188 PolarHBondContact O-N 3.26Å; R184-R188 VanDerWaalsContact O-N 3.11Å |
| 185 | M | 86.4 | Confident | 86.3 | Confident | 63 Ų | 63 | 110.9 Ų | 110.9 | 31% | 0.31 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.6 | -42.9 | 177.1 | -73.2 | -50.7 | -50 | 0 | 0 | 112.4 | Y181 K182 R187 R188 H189 | Y181-M185 HydrophobicContact CD1-CG 4.31Å; Y181-M185 HydrophobicContact CE1-CG 3.88Å; Y181-M185 HydrophobicContact CE2-CG 4.38Å; Y181-M185 PolarHBondContact O-N 3.03Å; K182-M185 PolarHBondContact O-N 2.87Å; M185-R187 VanDerWaalsContact C-N 3.35Å; M185-R187 PolarHBondContact O-N 3.01Å; M185-R188 CarbonylContact O-C 3.53Å; M185-R188 WeakPolarHBondContact O-CA 3.3Å; M185-R188 PolarHBondContact O-N 2.84Å; M185-R188 VanDerWaalsContact O-N 3.07Å; M185-H189 PolarHBondContact O-N 2.93Å |
| 186 | E | 86.4 | Confident | 86.4 | Confident | 103 Ų | 103 | 111.9 Ų | 111.9 | 48% | 0.481 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.4 | -44.4 | 173.9 | -78.9 | -66.1 | 142 | 0 | 0 | 112 | K182 R188 H189 L190 | K182-E186 WeakPolarHBondContact O-CB 3.49Å; K182-E186 WeakPolarHBondContact O-CG 3.34Å; K182-E186 PolarHBondContact O-N 3.49Å; E186-R188 VanDerWaalsContact C-N 3.28Å; E186-R188 PolarHBondContact O-N 2.88Å; E186-H189 PolarHBondContact O-N 3.29Å; E186-L190 PolarHBondContact O-N 3.01Å |
| 187 | R | 80.4 | Confident | 86.5 | Confident | 202 Ų | 202 | 118.3 Ų | 118.3 | 76% | 0.762 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.1 | -37.4 | 174.1 | -76.2 | -176 | -178.8 | -138.9 | 1.5 | 112.4 | A183 R184 M185 S191 | A183-R187 WeakPolarHBondContact O-CG 3.49Å; A183-R187 PolarHBondContact O-N 3.5Å; A183-R187 VanDerWaalsContact O-N 3.16Å; R184-R187 PolarHBondContact O-N 2.95Å; M185-R187 VanDerWaalsContact C-N 3.35Å; M185-R187 PolarHBondContact O-N 3.01Å; R187-S191 WeakPolarHBondContact O-CB 3.25Å; R187-S191 PolarHBondContact O-N 3.03Å; R187-S191 PolarHBondContact O-OG 2.84Å |
| 188 | R | 79.6 | Confident | 86.3 | Confident | 162 Ų | 162 | 114.9 Ų | 114.9 | 61% | 0.611 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -74.4 | -32.5 | 176.2 | -70.7 | -179.6 | -174.1 | -94.4 | 5 | 112.8 | R184 M185 E186 S191 R192 | R184-R188 WeakPolarHBondContact O-CG 3.21Å; R184-R188 PolarHBondContact O-N 3.26Å; R184-R188 VanDerWaalsContact O-N 3.11Å; M185-R188 CarbonylContact O-C 3.53Å; M185-R188 WeakPolarHBondContact O-CA 3.3Å; M185-R188 PolarHBondContact O-N 2.84Å; M185-R188 VanDerWaalsContact O-N 3.07Å; E186-R188 VanDerWaalsContact C-N 3.28Å; E186-R188 PolarHBondContact O-N 2.88Å; R188-S191 WeakPolarHBondContact CA-OG 3.47Å; R188-S191 PolarHBondContact O-OG 3.48Å; R188-S191 VanDerWaalsContact O-OG 3.06Å; R188-R192 WeakPolarHBondContact O-CB 3.23Å; R188-R192 WeakPolarHBondContact O-CG 3.13Å; R188-R192 PolarHBondContact O-N 3.37Å |
| 189 | H | 78.2 | Confident | 86 | Confident | 111 Ų | 111 | 113.1 Ų | 113.1 | 51% | 0.514 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.4 | -47.2 | 178.1 | -124.5 | -80.9 | 0 | 0 | 0 | 111.1 | M185 E186 S191 R192 S193 | M185-H189 PolarHBondContact O-N 2.93Å; E186-H189 PolarHBondContact O-N 3.29Å; H189-S191 PolarHBondContact O-N 2.66Å; H189-R192 PolarHBondContact O-N 3.25Å; H189-S193 PolarHBondContact O-N 3.34Å; H189-S193 PolarHBondContact O-OG 3.22Å |
| 190 | L | 71.5 | Confident | 85.7 | Confident | 114 Ų | 114 | 113.6 Ų | 113.6 | 60% | 0.597 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.5 | -39.4 | 175.8 | -65.7 | 172.9 | 0 | 0 | 0 | 112 | E186 S193 H194 | E186-L190 PolarHBondContact O-N 3.01Å; L190-S193 PolarHBondContact O-N 3.41Å; L190-H194 WeakPolarHBondContact O-CB 3.25Å; L190-H194 PolarHBondContact O-N 3.3Å |
| 191 | S | 81.9 | Confident | 85.2 | Confident | 53 Ų | 53 | 111.9 Ų | 111.9 | 37% | 0.371 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.4 | -39 | 176.1 | 73.4 | 0 | 0 | 0 | 0 | 112.7 | R187 R188 H189 H194 I195 | R187-S191 WeakPolarHBondContact O-CB 3.25Å; R187-S191 PolarHBondContact O-N 3.03Å; R187-S191 PolarHBondContact O-OG 2.84Å; R188-S191 WeakPolarHBondContact CA-OG 3.47Å; R188-S191 PolarHBondContact O-OG 3.48Å; R188-S191 VanDerWaalsContact O-OG 3.06Å; H189-S191 PolarHBondContact O-N 2.66Å; S191-H194 PolarHBondContact O-N 2.91Å; S191-I195 WeakPolarHBondContact O-CB 3.46Å; S191-I195 WeakPolarHBondContact O-CD1 3.37Å; S191-I195 VanDerWaalsContact O-CG1 3.28Å; S191-I195 WeakPolarHBondContact O-CG1 3.36Å; S191-I195 PolarHBondContact O-N 3.45Å |
| 192 | R | 86.2 | Confident | 84.4 | Confident | 169 Ų | 169 | 113.6 Ų | 113.6 | 64% | 0.638 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.7 | -46.3 | 172.1 | -82.6 | 176.7 | 163.3 | -179.4 | -3.5 | 111.7 | R188 H189 H194 I195 Q196 | R188-R192 WeakPolarHBondContact O-CB 3.23Å; R188-R192 WeakPolarHBondContact O-CG 3.13Å; R188-R192 PolarHBondContact O-N 3.37Å; H189-R192 PolarHBondContact O-N 3.25Å; R192-H194 VanDerWaalsContact C-N 3.33Å; R192-H194 PolarHBondContact O-N 3.11Å; R192-I195 PolarHBondContact O-N 3.48Å; R192-Q196 VanDerWaalsContact O-CB 3.28Å; R192-Q196 WeakPolarHBondContact O-CB 3.46Å; R192-Q196 PolarHBondContact O-N 3.01Å |
| 193 | S | 88.3 | Confident | 83.6 | Confident | 41 Ų | 41 | 112.7 Ų | 112.7 | 29% | 0.287 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.7 | -32.8 | 176.6 | -61.1 | 0 | 0 | 0 | 0 | 112.9 | H189 L190 R197 | H189-S193 PolarHBondContact O-N 3.34Å; H189-S193 PolarHBondContact O-OG 3.22Å; L190-S193 PolarHBondContact O-N 3.41Å; S193-R197 WeakPolarHBondContact O-CB 3.24Å; S193-R197 WeakPolarHBondContact O-CG 3.26Å; S193-R197 PolarHBondContact O-N 3.38Å; S193-R197 PolarHBondContact O-NE 2.97Å |
| 194 | H | 86.5 | Confident | 82.4 | Confident | 120 Ų | 120 | 117.5 Ų | 117.5 | 56% | 0.556 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68.4 | -46.2 | 173.5 | -170.5 | -135.2 | 0 | 0 | 0 | 111.7 | L190 S191 R192 Q196 R197 Q198 | L190-H194 WeakPolarHBondContact O-CB 3.25Å; L190-H194 PolarHBondContact O-N 3.3Å; S191-H194 PolarHBondContact O-N 2.91Å; R192-H194 VanDerWaalsContact C-N 3.33Å; R192-H194 PolarHBondContact O-N 3.11Å; H194-Q196 VanDerWaalsContact C-N 3.33Å; H194-Q196 PolarHBondContact O-N 3.38Å; H194-R197 PolarHBondContact O-N 2.89Å; H194-Q198 WeakPolarHBondContact O-CB 3.44Å; H194-Q198 PolarHBondContact O-N 3.48Å |
| 195 | I | 85.9 | Confident | 81.2 | Confident | 85 Ų | 85 | 114.8 Ų | 114.8 | 44% | 0.436 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60 | -42.6 | 173.1 | -73.6 | 163.1 | 0 | 0 | 0 | 111 | S191 R192 R197 Q198 N199 | S191-I195 WeakPolarHBondContact O-CB 3.46Å; S191-I195 WeakPolarHBondContact O-CD1 3.37Å; S191-I195 VanDerWaalsContact O-CG1 3.28Å; S191-I195 WeakPolarHBondContact O-CG1 3.36Å; S191-I195 PolarHBondContact O-N 3.45Å; R192-I195 PolarHBondContact O-N 3.48Å; I195-R197 PolarHBondContact O-N 3.3Å; I195-Q198 PolarHBondContact O-N 2.89Å; I195-N199 VanDerWaalsContact O-CB 3.27Å; I195-N199 WeakPolarHBondContact O-CB 3.46Å; I195-N199 VanDerWaalsContact O-CG 3.24Å; I195-N199 PolarHBondContact O-N 3.35Å |
| 196 | Q | 87.4 | Confident | 80 | Confident | 102 Ų | 102 | 115.8 Ų | 115.8 | 48% | 0.477 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 177.7 | -170.5 | 179.8 | 28.7 | 0 | 0 | 111.4 | R192 H194 R200 | R192-Q196 VanDerWaalsContact O-CB 3.28Å; R192-Q196 WeakPolarHBondContact O-CB 3.46Å; R192-Q196 PolarHBondContact O-N 3.01Å; H194-Q196 VanDerWaalsContact C-N 3.33Å; H194-Q196 PolarHBondContact O-N 3.38Å; Q196-R200 WeakPolarHBondContact O-CB 3.38Å; Q196-R200 VanDerWaalsContact O-CG 3.24Å; Q196-R200 WeakPolarHBondContact O-CG 3.4Å; Q196-R200 PolarHBondContact O-N 3.17Å |
| 197 | R | 88.5 | Confident | 78.7 | Confident | 156 Ų | 156 | 120.2 Ų | 120.2 | 59% | 0.589 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.4 | -45.2 | 173.8 | -79.6 | -177.2 | -79.4 | -145.8 | 2.3 | 111.8 | S193 H194 I195 R200 V201 | S193-R197 WeakPolarHBondContact O-CB 3.24Å; S193-R197 WeakPolarHBondContact O-CG 3.26Å; S193-R197 PolarHBondContact O-N 3.38Å; S193-R197 PolarHBondContact O-NE 2.97Å; H194-R197 PolarHBondContact O-N 2.89Å; I195-R197 PolarHBondContact O-N 3.3Å; R197-R200 PolarHBondContact O-N 3.43Å; R197-V201 WeakPolarHBondContact O-CG2 3.22Å; R197-V201 PolarHBondContact O-N 3.17Å |
| 198 | Q | 88.4 | Confident | 77.6 | Confident | 103 Ų | 103 | 117.1 Ų | 117.1 | 48% | 0.481 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 176.9 | -171.9 | -178.1 | 3 | 0 | 0 | 111.7 | H194 I195 V201 R202 | H194-Q198 WeakPolarHBondContact O-CB 3.44Å; H194-Q198 PolarHBondContact O-N 3.48Å; I195-Q198 PolarHBondContact O-N 2.89Å; Q198-V201 PolarHBondContact O-N 2.77Å; Q198-R202 VanDerWaalsContact O-CG 3.27Å; Q198-R202 WeakPolarHBondContact O-CG 3.49Å; Q198-R202 PolarHBondContact O-N 3.41Å |
| 199 | N | 86.6 | Confident | 76.5 | Confident | 53 Ų | 53 | 113.4 Ų | 113.4 | 28% | 0.283 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.6 | -39.6 | 176.6 | -74 | -12.2 | 0 | 0 | 0 | 111.4 | I195 V201 R202 E203 | I195-N199 VanDerWaalsContact O-CB 3.27Å; I195-N199 WeakPolarHBondContact O-CB 3.46Å; I195-N199 VanDerWaalsContact O-CG 3.24Å; I195-N199 PolarHBondContact O-N 3.35Å; N199-V201 VanDerWaalsContact C-N 3.33Å; N199-V201 PolarHBondContact O-N 3.08Å; N199-R202 CarbonylContact O-C 3.58Å; N199-R202 PolarHBondContact O-N 2.95Å; N199-R202 VanDerWaalsContact O-N 3.14Å; N199-E203 WeakPolarHBondContact O-CB 3.44Å; N199-E203 WeakPolarHBondContact O-CG 3.32Å; N199-E203 PolarHBondContact O-N 2.85Å |
| 200 | R | 85.1 | Confident | 75.5 | Confident | 138 Ų | 138 | 112.1 Ų | 112.1 | 52% | 0.521 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59.7 | -41.8 | 172 | -77.2 | 175.4 | -175.2 | -167.4 | 4.4 | 112.1 | Q196 R197 R202 E203 Q204 | Q196-R200 WeakPolarHBondContact O-CB 3.38Å; Q196-R200 VanDerWaalsContact O-CG 3.24Å; Q196-R200 WeakPolarHBondContact O-CG 3.4Å; Q196-R200 PolarHBondContact O-N 3.17Å; R197-R200 PolarHBondContact O-N 3.43Å; R200-R202 VanDerWaalsContact C-N 3.34Å; R200-E203 PolarHBondContact O-N 3.14Å; R200-Q204 WeakPolarHBondContact O-CB 3.48Å; R200-Q204 WeakPolarHBondContact O-CG 3.44Å; R200-Q204 PolarHBondContact O-N 3.2Å |
| 201 | V | 80.6 | Confident | 74.8 | Confident | 102 Ų | 102 | 113.3 Ų | 113.3 | 62% | 0.618 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.5 | -42.5 | 174.5 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | R197 Q198 N199 V205 | R197-V201 WeakPolarHBondContact O-CG2 3.22Å; R197-V201 PolarHBondContact O-N 3.17Å; Q198-V201 PolarHBondContact O-N 2.77Å; N199-V201 VanDerWaalsContact C-N 3.33Å; N199-V201 PolarHBondContact O-N 3.08Å; V201-V205 PolarHBondContact O-N 3.02Å |
| 202 | R | 76.2 | Confident | 73.6 | Confident | 165 Ų | 165 | 113.8 Ų | 113.8 | 62% | 0.623 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -70.6 | -29.6 | 178.4 | -68.4 | 173.4 | 72.7 | -149.3 | 4.4 | 113.9 | Q198 N199 R200 V205 | Q198-R202 VanDerWaalsContact O-CG 3.27Å; Q198-R202 WeakPolarHBondContact O-CG 3.49Å; Q198-R202 PolarHBondContact O-N 3.41Å; N199-R202 CarbonylContact O-C 3.58Å; N199-R202 PolarHBondContact O-N 2.95Å; N199-R202 VanDerWaalsContact O-N 3.14Å; R200-R202 VanDerWaalsContact C-N 3.34Å; R202-V205 WeakPolarHBondContact O-CB 3.39Å |
| 203 | E | 74 | Confident | 72.4 | Confident | 119 Ų | 119 | 116.2 Ų | 116.2 | 56% | 0.556 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -87.6 | -25.6 | 177.7 | -72.3 | 171.8 | -175.2 | 0 | 0 | 112 | N199 R200 V205 | N199-E203 WeakPolarHBondContact O-CB 3.44Å; N199-E203 WeakPolarHBondContact O-CG 3.32Å; N199-E203 PolarHBondContact O-N 2.85Å; R200-E203 PolarHBondContact O-N 3.14Å; E203-V205 VanDerWaalsContact C-N 3.25Å |
| 204 | Q | 65.4 | Low | 71 | Confident | 154 Ų | 154 | 119.8 Ų | 119.8 | 72% | 0.72 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -74 | -15.1 | 167.3 | -77.5 | -170.5 | 54.4 | 0 | 0 | 112.5 | R200 P206 | R200-Q204 WeakPolarHBondContact O-CB 3.48Å; R200-Q204 WeakPolarHBondContact O-CG 3.44Å; R200-Q204 PolarHBondContact O-N 3.2Å; Q204-P206 WeakPolarHBondContact O-CD 3.28Å; Q204-P206 VanDerWaalsContact O-N 3.11Å |
| 205 | V | 60.8 | Low | 69.7 | Low | 95 Ų | 95 | 118.7 Ų | 118.7 | 58% | 0.576 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | 113.8 | 159.6 | 179 | 0 | 0 | 0 | 0 | 106.4 | V201 R202 E203 R207 | V201-V205 PolarHBondContact O-N 3.02Å; R202-V205 WeakPolarHBondContact O-CB 3.39Å; E203-V205 VanDerWaalsContact C-N 3.25Å; V205-R207 PolarHBondContact O-N 3.09Å |
| 206 | P | 61.5 | Low | 68.7 | Low | 84 Ų | 84 | 123.9 Ų | 123.9 | 55% | 0.545 | 60% | 0.604 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -49.8 | 106.2 | -169.2 | -35.9 | 41.5 | 0 | 0 | 0 | 113.8 | Q204 H208 | Q204-P206 WeakPolarHBondContact O-CD 3.28Å; Q204-P206 VanDerWaalsContact O-N 3.11Å; P206-H208 HydrophobicContact CB-CB 3.99Å; P206-H208 PolarHBondContact O-N 3.05Å |
| 207 | R | 59.9 | Low | 67.7 | Low | 197 Ų | 197 | 126.1 Ų | 126.1 | 74% | 0.743 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -72.1 | 33.1 | 150.9 | -70.6 | -158.1 | 173.1 | 111.3 | -3.1 | 111.1 | V205 A209 S210 | V205-R207 PolarHBondContact O-N 3.09Å; R207-A209 VanDerWaalsContact C-N 3.28Å; R207-S210 PolarHBondContact O-OG 3.35Å |
| 208 | H | 56.8 | Low | 66.7 | Low | 137 Ų | 137 | 126.7 Ų | 126.7 | 63% | 0.634 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -81.3 | -8.8 | 172.4 | -66.1 | -50.2 | 0 | 0 | 0 | 112.3 | P206 S210 H211 A212 | P206-H208 HydrophobicContact CB-CB 3.99Å; P206-H208 PolarHBondContact O-N 3.05Å; H208-S210 PolarHBondContact O-N 3.29Å; H208-H211 PolarHBondContact O-N 3.36Å; H208-A212 PolarHBondContact O-N 3.24Å; H208-A212 VanDerWaalsContact O-N 3.11Å |
| 209 | A | 57.3 | Low | 65.9 | Low | 83 Ų | 83 | 129.6 Ų | 129.6 | 69% | 0.686 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -60.5 | -28 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | R207 | R207-A209 VanDerWaalsContact C-N 3.28Š|
| 210 | S | 57.2 | Low | 64.9 | Low | 84 Ų | 84 | 133 Ų | 133 | 59% | 0.587 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -24.8 | 176.7 | 60.2 | 0 | 0 | 0 | 0 | 113.6 | R207 H208 | R207-S210 PolarHBondContact O-OG 3.35Å; H208-S210 PolarHBondContact O-N 3.29Å |
| 211 | H | 56.8 | Low | 64.1 | Low | 140 Ų | 140 | 130.9 Ų | 130.9 | 65% | 0.648 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -87 | -14 | 177.6 | -129.1 | 62 | 0 | 0 | 0 | 113.3 | H208 R213 | H208-H211 PolarHBondContact O-N 3.36Å; H211-R213 PolarHBondContact O-N 2.99Å |
| 212 | A | 57 | Low | 63.5 | Low | 62 Ų | 62 | 135.2 Ų | 135.2 | 51% | 0.512 | 68% | 0.684 | S | S | . | * | G | 310 helix | trans | -69.5 | -8.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | H208 T215 | H208-A212 PolarHBondContact O-N 3.24Å; H208-A212 VanDerWaalsContact O-N 3.11Å; A212-T215 PolarHBondContact O-OG1 3.41Å |
| 213 | R | 59.7 | Low | 63.1 | Low | 221 Ų | 221 | 137.6 Ų | 137.6 | 83% | 0.834 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -81.1 | -11.1 | 179.8 | -69.1 | -173.3 | 126.7 | 142.6 | -0.3 | 114.5 | H211 | H211-R213 PolarHBondContact O-N 2.99Š|
| 214 | N | 58.7 | Low | 62.6 | Low | 116 Ų | 116 | 139.1 Ų | 139.1 | 62% | 0.62 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -118.6 | 9.4 | -179.4 | -65.1 | -12.7 | 0 | 0 | 0 | 113.5 | F216 | N214-F216 WeakPolarHBondContact O-CD2 3.41Å; N214-F216 PolarHBondContact O-N 3.22Å |
| 215 | T | 61 | Low | 62.4 | Low | 96 Ų | 96 | 140.4 Ų | 140.4 | 59% | 0.589 | 71% | 0.708 | S | S | * | * | trans | -76.5 | 85.1 | 165.6 | 57.9 | 0 | 0 | 0 | 0 | 107.2 | A212 L217 | A212-T215 PolarHBondContact O-OG1 3.41Å; T215-L217 PolarHBondContact O-N 3.44Å | ||
| 216 | F | 63.3 | Low | 62.4 | Low | 194 Ų | 194 | 141.9 Ų | 141.9 | 85% | 0.851 | 72% | 0.721 | S | S | * | * | trans | -57.6 | 92.8 | 166.4 | -71.9 | -89 | 0 | 0 | 0 | 107.5 | N214 H218 | N214-F216 WeakPolarHBondContact O-CD2 3.41Å; N214-F216 PolarHBondContact O-N 3.22Å; F216-H218 PolarHBondContact O-N 3.36Å | ||
| 217 | L | 66.3 | Low | 62.3 | Low | 150 Ų | 150 | 150.3 Ų | 150.3 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | trans | -61.3 | 104.8 | 167.7 | -68.5 | 174.9 | 0 | 0 | 0 | 105.8 | T215 Q219 | T215-L217 PolarHBondContact O-N 3.44Å; L217-Q219 VanDerWaalsContact C-N 3.34Å; L217-Q219 PolarHBondContact O-N 2.9Å | ||
| 218 | H | 68.1 | Low | 62.4 | Low | 167 Ų | 167 | 148 Ų | 148 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | trans | -64.3 | 101 | 171.5 | -173.1 | 46.9 | 0 | 0 | 0 | 107.2 | F216 | F216-H218 PolarHBondContact O-N 3.36Š| ||
| 219 | Q | 71.3 | Confident | 62.7 | Low | 165 Ų | 165 | 148.6 Ų | 148.6 | 77% | 0.771 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 130.7 | 173.3 | -76.4 | -170.7 | -31.6 | 0 | 0 | 108.1 | L217 S221 | L217-Q219 VanDerWaalsContact C-N 3.34Å; L217-Q219 PolarHBondContact O-N 2.9Å; Q219-S221 PolarHBondContact O-N 3.24Å |
| 220 | P | 65.6 | Low | 63 | Low | 123 Ų | 123 | 152.2 Ų | 152.2 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 117.6 | 175.1 | -22.3 | 31.7 | 0 | 0 | 0 | 109.2 | ||
| 221 | S | 69.7 | Low | 63.3 | Low | 95 Ų | 95 | 156.2 Ų | 156.2 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 138.4 | 180 | 68.9 | 0 | 0 | 0 | 0 | 109.6 | Q219 R223 | Q219-S221 PolarHBondContact O-N 3.24Å; S221-R223 PolarHBondContact O-N 3.37Å; S221-R223 VanDerWaalsContact O-N 3.13Å |
| 222 | K | 67.1 | Low | 63.7 | Low | 193 Ų | 193 | 157.3 Ų | 157.3 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 118.9 | 178.6 | -66.9 | -145 | 176.9 | -171.2 | 0 | 109.3 | N224 | K222-N224 PolarHBondContact O-N 3.47Š|
| 223 | R | 67.4 | Low | 64.2 | Low | 215 Ų | 215 | 163.6 Ų | 163.6 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | -70.3 | 109.5 | 169.7 | -65.3 | 176.2 | 75.9 | 165.5 | 2.7 | 107 | S221 F225 | S221-R223 PolarHBondContact O-N 3.37Å; S221-R223 VanDerWaalsContact O-N 3.13Å; R223-F225 PolarHBondContact O-N 3.21Å | ||
| 224 | N | 63.4 | Low | 64.5 | Low | 150 Ų | 150 | 159.5 Ų | 159.5 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | -65.9 | 114.8 | 169.7 | -65.5 | -52.6 | 0 | 0 | 0 | 107.5 | K222 C226 | K222-N224 PolarHBondContact O-N 3.47Å; N224-C226 PolarHBondContact O-N 3.37Å | ||
| 225 | F | 62.6 | Low | 64.9 | Low | 182 Ų | 182 | 162.8 Ų | 162.8 | 80% | 0.798 | 81% | 0.811 | S | S | * | * | trans | -81.5 | 109.8 | 166.3 | -73.4 | -87.3 | 0 | 0 | 0 | 107 | R223 | R223-F225 PolarHBondContact O-N 3.21Š| ||
| 226 | C | 59.8 | Low | 65.3 | Low | 125 Ų | 125 | 168.4 Ų | 168.4 | 85% | 0.845 | 83% | 0.829 | S | S | * | * | trans | -79.1 | 126.3 | 165.6 | -63.4 | 0 | 0 | 0 | 0 | 108 | N224 | N224-C226 PolarHBondContact O-N 3.37Š| ||
| 227 | H | 58.7 | Low | 65.4 | Low | 262 Ų | 262 | 166.1 Ų | 166.1 | 100% | 1.213 | 83% | 0.827 | S | S | * | * | trans | -81.2 | 0 | 168.8 | -87 | -72.9 | 0 | 0 | 0 | 110.9 |
Retrieved 227 of 227 residues in 275.5 ms
(Link to these results)