| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 32.3 | Very low | 34.3 | Very low | 223 Ų | 223 | 119.8 Ų | 119.8 | 100% | 1.099 | 66% | 0.658 | S | S | * | * | 0 | 109.9 | 0 | -68.8 | -153.5 | -78.5 | 0 | 0 | 107.4 | |||||
| 2 | A | 30.8 | Very low | 34.5 | Very low | 93 Ų | 93 | 113.4 Ų | 113.4 | 77% | 0.769 | 64% | 0.64 | S | S | * | * | trans | -82.9 | 114 | 175.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 3 | A | 36.1 | Very low | 34.7 | Very low | 67 Ų | 67 | 111.4 Ų | 111.4 | 55% | 0.554 | 64% | 0.638 | S | S | * | * | trans | -89.5 | 119.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 4 | S | 35.4 | Very low | 34.9 | Very low | 80 Ų | 80 | 114.9 Ų | 114.9 | 56% | 0.559 | 66% | 0.661 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.8 | 116.7 | 171.4 | -66.8 | 0 | 0 | 0 | 0 | 108.4 | L25 | S4-L25 PolarHBondContact O-N 3.31Å |
| 5 | I | 38.7 | Very low | 35 | Very low | 107 Ų | 107 | 112.5 Ų | 112.5 | 55% | 0.549 | 67% | 0.672 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.8 | 112.2 | 171.2 | -59.6 | 173.6 | 0 | 0 | 0 | 106.8 | V22 | I5-V22 HydrophobicContact CG2-CG1 4.15Å |
| 6 | M | 35.1 | Very low | 35.1 | Very low | 129 Ų | 129 | 114.2 Ų | 114.2 | 64% | 0.635 | 67% | 0.671 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -97.9 | 116.3 | 170.3 | -81.1 | -71.5 | -124.2 | 0 | 0 | 108.6 | S23 | M6-S23 PolarHBondContact N-O 2.9Å; M6-S23 VanDerWaalsContact N-O 3.12Å; M6-S23 PolarHBondContact O-N 2.93Å; M6-S23 VanDerWaalsContact O-N 3.1Å |
| 7 | L | 33.6 | Very low | 35 | Very low | 119 Ų | 119 | 113.1 Ų | 113.1 | 62% | 0.623 | 67% | 0.668 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -92.7 | 107.1 | 169 | -90.4 | 140.7 | 0 | 0 | 0 | 108.2 | V22 | L7-V22 HydrophobicContact CD2-CG2 4.2Å |
| 8 | S | 33.5 | Very low | 35 | Very low | 54 Ų | 54 | 110.9 Ų | 110.9 | 38% | 0.378 | 66% | 0.657 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.1 | 121.9 | 172.9 | 43.7 | 0 | 0 | 0 | 0 | 109.8 | V21 | S8-V21 PolarHBondContact N-O 3.39Å |
| 9 | I | 34.6 | Very low | 35.1 | Very low | 128 Ų | 128 | 108.4 Ų | 108.4 | 66% | 0.656 | 65% | 0.65 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.7 | 113.2 | 175.2 | -57.6 | 170.7 | 0 | 0 | 0 | 107.8 | ||
| 10 | C | 32.6 | Very low | 35.1 | Very low | 73 Ų | 73 | 110.3 Ų | 110.3 | 49% | 0.493 | 65% | 0.646 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.3 | 115.1 | 168.4 | -69.4 | 0 | 0 | 0 | 0 | 108.4 | G12 | C10-G12 PolarHBondContact O-N 3.23Å; C10-G12 VanDerWaalsContact O-N 3.15Å |
| 11 | R | 34.5 | Very low | 35.2 | Very low | 245 Ų | 245 | 107.5 Ų | 107.5 | 93% | 0.925 | 63% | 0.63 | S | S | * | * | trans | -67.9 | 109.8 | 170.5 | -83.9 | -177.3 | 173.6 | 170.7 | -1.9 | 108.5 | ||||
| 12 | G | 37.5 | Very low | 35.3 | Very low | 43 Ų | 43 | 100.1 Ų | 100.1 | 44% | 0.443 | 60% | 0.598 | S | S | . | * | trans | -66 | 154.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | C10 | C10-G12 PolarHBondContact O-N 3.23Å; C10-G12 VanDerWaalsContact O-N 3.15Å | ||
| 13 | S | 36.7 | Very low | 35.5 | Very low | 87 Ų | 87 | 97.6 Ų | 97.6 | 61% | 0.608 | 57% | 0.574 | S | S | * | * | trans | -58.1 | 151.2 | 170.2 | 42.1 | 0 | 0 | 0 | 0 | 111.5 | G15 Q16 | S13-G15 PolarHBondContact O-N 3.41Å; S13-G15 VanDerWaalsContact O-N 3.16Å; S13-Q16 PolarHBondContact O-N 2.94Å | ||
| 14 | V | 36.7 | Very low | 35.5 | Very low | 160 Ų | 160 | 97.9 Ų | 97.9 | 97% | 0.97 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -45.5 | 118.6 | -178.9 | -178.5 | 0 | 0 | 0 | 0 | 110.8 | ||
| 15 | G | 37.8 | Very low | 35.6 | Very low | 79 Ų | 79 | 99 Ų | 99 | 81% | 0.814 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 112.7 | -7.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | S13 | S13-G15 PolarHBondContact O-N 3.41Å; S13-G15 VanDerWaalsContact O-N 3.16Å |
| 16 | Q | 35.1 | Very low | 35.5 | Very low | 140 Ų | 140 | 98.3 Ų | 98.3 | 65% | 0.654 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -110.7 | 144.2 | 175.5 | -74.5 | -179.7 | -30.7 | 0 | 0 | 112.9 | S13 | S13-Q16 PolarHBondContact O-N 2.94Š|
| 17 | P | 33.6 | Very low | 35.4 | Very low | 96 Ų | 96 | 99.3 Ų | 99.3 | 62% | 0.623 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 149 | 172 | 26.7 | -32.6 | 0 | 0 | 0 | 110.8 | A19 | P17-A19 PolarHBondContact O-N 3.31Š|
| 18 | P | 36.4 | Very low | 35.7 | Very low | 73 Ų | 73 | 97.2 Ų | 97.2 | 47% | 0.474 | 57% | 0.565 | S | S | . | * | P | Polyproline II helix | trans | -63.1 | 127.7 | -178.2 | 25.3 | -33.2 | 0 | 0 | 0 | 111.4 | Y20 | P18-Y20 HydrophobicContact CG-CE2 4.47Š|
| 19 | A | 35.5 | Very low | 35.7 | Very low | 63 Ų | 63 | 100.3 Ų | 100.3 | 52% | 0.521 | 58% | 0.582 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.4 | 133.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | P17 | P17-A19 PolarHBondContact O-N 3.31Å |
| 20 | Y | 36.2 | Very low | 35.7 | Very low | 147 Ų | 147 | 104.3 Ų | 104.3 | 58% | 0.576 | 59% | 0.59 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.1 | 125.7 | 178.3 | -59.4 | -86.4 | 0 | 0 | 0 | 109.8 | P18 | P18-Y20 HydrophobicContact CG-CE2 4.47Å |
| 21 | V | 36.8 | Very low | 35.7 | Very low | 52 Ų | 52 | 112.3 Ų | 112.3 | 32% | 0.315 | 61% | 0.61 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110 | 115.3 | 172 | -177.5 | 0 | 0 | 0 | 0 | 108.3 | S8 | S8-V21 PolarHBondContact N-O 3.39Å |
| 22 | V | 34.1 | Very low | 35.4 | Very low | 68 Ų | 68 | 105.9 Ų | 105.9 | 41% | 0.412 | 60% | 0.601 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.5 | 112.2 | 175.8 | -176.7 | 0 | 0 | 0 | 0 | 108.3 | I5 L7 V24 | I5-V22 HydrophobicContact CG2-CG1 4.15Å; L7-V22 HydrophobicContact CD2-CG2 4.2Å; V22-V24 HydrophobicContact CG1-CG2 4.22Å |
| 23 | S | 36 | Very low | 35.2 | Very low | 40 Ų | 40 | 114.7 Ų | 114.7 | 28% | 0.28 | 62% | 0.621 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.9 | 110.6 | 176.3 | -52.5 | 0 | 0 | 0 | 0 | 109.1 | M6 | M6-S23 PolarHBondContact N-O 2.9Å; M6-S23 VanDerWaalsContact N-O 3.12Å; M6-S23 PolarHBondContact O-N 2.93Å; M6-S23 VanDerWaalsContact O-N 3.1Å |
| 24 | V | 35.4 | Very low | 35.2 | Very low | 73 Ų | 73 | 114.2 Ų | 114.2 | 44% | 0.442 | 62% | 0.618 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.8 | 104.9 | 172.9 | -173.7 | 0 | 0 | 0 | 0 | 108.6 | V22 I26 | V22-V24 HydrophobicContact CG1-CG2 4.22Å; V24-I26 HydrophobicContact CG1-CG1 3.9Å; V24-I26 PolarHBondContact O-N 3.39Å |
| 25 | L | 36.7 | Very low | 35.1 | Very low | 103 Ų | 103 | 111 Ų | 111 | 54% | 0.539 | 60% | 0.598 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.5 | 101.5 | 171.1 | -104 | 128.7 | 0 | 0 | 0 | 108.7 | S4 | S4-L25 PolarHBondContact O-N 3.31Å |
| 26 | I | 37.1 | Very low | 34.7 | Very low | 92 Ų | 92 | 110.3 Ų | 110.3 | 47% | 0.472 | 59% | 0.585 | S | S | . | * | trans | -86.9 | 111.2 | 169.4 | -54 | 178.6 | 0 | 0 | 0 | 106.7 | V24 T28 | V24-I26 HydrophobicContact CG1-CG1 3.9Å; V24-I26 PolarHBondContact O-N 3.39Å; I26-T28 HydrophobicContact CG2-CG2 3.77Å; I26-T28 PolarHBondContact O-N 2.92Å | ||
| 27 | N | 33.1 | Very low | 34.7 | Very low | 150 Ų | 150 | 108.7 Ų | 108.7 | 80% | 0.802 | 58% | 0.584 | S | S | * | * | trans | -75.3 | 68.5 | 171.9 | -163 | 12.6 | 0 | 0 | 0 | 109.5 | ||||
| 28 | T | 39.4 | Very low | 34.7 | Very low | 75 Ų | 75 | 107.6 Ų | 107.6 | 46% | 0.46 | 58% | 0.579 | S | S | . | * | trans | -103.9 | 126.5 | 160.4 | 46.7 | 0 | 0 | 0 | 0 | 106.4 | I26 Y30 | I26-T28 HydrophobicContact CG2-CG2 3.77Å; I26-T28 PolarHBondContact O-N 2.92Å; T28-Y30 PolarHBondContact O-N 3.29Å | ||
| 29 | T | 34.4 | Very low | 34.6 | Very low | 119 Ų | 119 | 108 Ų | 108 | 73% | 0.73 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -42 | 133.3 | 158.9 | 41.3 | 0 | 0 | 0 | 0 | 107.8 | ||
| 30 | Y | 33.4 | Very low | 34.5 | Very low | 213 Ų | 213 | 110.4 Ų | 110.4 | 84% | 0.835 | 59% | 0.593 | S | S | * | * | S | Bend | trans | 89.8 | 97.4 | -172 | -47.5 | -73.1 | 0 | 0 | 0 | 117 | T28 | T28-Y30 PolarHBondContact O-N 3.29Š|
| 31 | R | 32.9 | Very low | 34.4 | Very low | 240 Ų | 240 | 110.9 Ų | 110.9 | 91% | 0.906 | 61% | 0.605 | S | S | * | * | trans | 57.3 | 110.9 | 156.3 | -65.5 | -176.7 | 178.7 | 178.7 | -0.3 | 118 | R33 | R31-R33 PolarHBondContact O-N 3.46Š| ||
| 32 | C | 28.6 | Very low | 34.2 | Very low | 111 Ų | 111 | 112.5 Ų | 112.5 | 75% | 0.75 | 63% | 0.632 | S | S | * | * | trans | -51.5 | 120.2 | 163.2 | -81.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 33 | R | 34.1 | Very low | 34.2 | Very low | 228 Ų | 228 | 116.4 Ų | 116.4 | 86% | 0.86 | 65% | 0.646 | S | S | * | * | trans | -109.6 | 108.3 | 160.2 | -90.8 | -179.2 | 170.6 | 179.3 | -2.9 | 107.5 | R31 | R31-R33 PolarHBondContact O-N 3.46Š| ||
| 34 | S | 35.2 | Very low | 34 | Very low | 76 Ų | 76 | 122.2 Ų | 122.2 | 53% | 0.531 | 67% | 0.673 | S | S | . | * | trans | -89.2 | 131 | 163.1 | 31.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 35 | V | 35 | Very low | 33.8 | Very low | 93 Ų | 93 | 125.2 Ų | 125.2 | 56% | 0.564 | 69% | 0.686 | S | S | * | * | trans | -110.4 | 119.1 | 172.2 | -179.5 | 0 | 0 | 0 | 0 | 106.4 | V37 | V35-V37 HydrophobicContact CG1-CG2 4.03Š| ||
| 36 | A | 31 | Very low | 33.6 | Very low | 64 Ų | 64 | 132.2 Ų | 132.2 | 53% | 0.529 | 71% | 0.705 | S | S | . | * | trans | -92.9 | 128.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 37 | V | 33.5 | Very low | 33.3 | Very low | 106 Ų | 106 | 132.7 Ų | 132.7 | 64% | 0.642 | 71% | 0.713 | S | S | * | * | trans | -119.4 | 119.9 | 172.4 | -174.6 | 0 | 0 | 0 | 0 | 106.8 | V35 | V35-V37 HydrophobicContact CG1-CG2 4.03Š| ||
| 38 | S | 34.1 | Very low | 33.1 | Very low | 74 Ų | 74 | 129.2 Ų | 129.2 | 52% | 0.517 | 71% | 0.712 | S | S | . | * | trans | -89.1 | 122 | 172.1 | 178.9 | 0 | 0 | 0 | 0 | 108.7 | N40 | S38-N40 PolarHBondContact O-N 2.85Å; S38-N40 VanDerWaalsContact O-N 3.13Å | ||
| 39 | A | 34.4 | Very low | 32.6 | Very low | 82 Ų | 82 | 130.9 Ų | 130.9 | 68% | 0.678 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -83.5 | 73.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||
| 40 | N | 33 | Very low | 32.4 | Very low | 113 Ų | 113 | 130.5 Ų | 130.5 | 60% | 0.604 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -161.6 | 121.4 | 159.2 | -90.6 | -16.7 | 0 | 0 | 0 | 106.8 | S38 | S38-N40 PolarHBondContact O-N 2.85Å; S38-N40 VanDerWaalsContact O-N 3.13Å |
| 41 | D | 34.6 | Very low | 32.1 | Very low | 156 Ų | 156 | 129.9 Ų | 129.9 | 83% | 0.834 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64 | 33.3 | 168.8 | -57.8 | -22.5 | 0 | 0 | 0 | 119.8 | Q43 | D41-Q43 PolarHBondContact O-N 2.87Š|
| 42 | G | 33.3 | Very low | 31.9 | Very low | 86 Ų | 86 | 123.5 Ų | 123.5 | 89% | 0.887 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 61.1 | 9.6 | 159.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 43 | Q | 32.5 | Very low | 31.8 | Very low | 151 Ų | 151 | 128.2 Ų | 128.2 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | trans | -98.3 | 117.2 | 179.7 | -75.6 | -168.3 | 1 | 0 | 0 | 111.8 | D41 L45 | D41-Q43 PolarHBondContact O-N 2.87Å; Q43-L45 PolarHBondContact O-N 3.48Å | ||
| 44 | L | 33.4 | Very low | 31.4 | Very low | 162 Ų | 162 | 124.8 Ų | 124.8 | 85% | 0.848 | 73% | 0.73 | S | S | * | * | trans | -73.4 | 105.7 | 169.1 | -101.3 | 142.9 | 0 | 0 | 0 | 110.1 | ||||
| 45 | L | 30.7 | Very low | 31 | Very low | 135 Ų | 135 | 126.4 Ų | 126.4 | 71% | 0.707 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -80 | 128.2 | 170.3 | -71.9 | 166.4 | 0 | 0 | 0 | 110.5 | Q43 | Q43-L45 PolarHBondContact O-N 3.48Š|
| 46 | R | 32.3 | Very low | 30.6 | Very low | 251 Ų | 251 | 130.5 Ų | 130.5 | 95% | 0.947 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 138.2 | -178.9 | -90.4 | -177.7 | 177.3 | -174.6 | 0.1 | 112.6 | ||
| 47 | T | 31.3 | Very low | 30.2 | Very low | 102 Ų | 102 | 133 Ų | 133 | 63% | 0.626 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 136.2 | 176.6 | 51 | 0 | 0 | 0 | 0 | 112.5 | ||
| 48 | G | 29.1 | Very low | 29.7 | Very low | 77 Ų | 77 | 136.6 Ų | 136.6 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | trans | -141.2 | 117.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 49 | C | 28.2 | Very low | 29.1 | Very low | 109 Ų | 109 | 138.9 Ų | 138.9 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | trans | -89.8 | 120.5 | 175.2 | -79.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 50 | S | 29.9 | Very low | 28.7 | Very low | 112 Ų | 112 | 141.1 Ų | 141.1 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | trans | -113.6 | 127 | 163.2 | 158.1 | 0 | 0 | 0 | 0 | 108.3 | S52 | S50-S52 PolarHBondContact O-N 3.25Š| ||
| 51 | Q | 27.7 | Very low | 28.2 | Very low | 199 Ų | 199 | 140.9 Ų | 140.9 | 93% | 0.93 | 80% | 0.799 | S | S | * | * | trans | -70 | 119.7 | -179.5 | -66 | -176.3 | -8.7 | 0 | 0 | 110.7 | ||||
| 52 | S | 29.1 | Very low | 27.8 | Very low | 106 Ų | 106 | 142.1 Ų | 142.1 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | trans | -144.7 | 120.8 | 160.9 | 58.6 | 0 | 0 | 0 | 0 | 111.3 | S50 | S50-S52 PolarHBondContact O-N 3.25Š| ||
| 53 | K | 25 | Very low | 27.5 | Very low | 211 Ų | 211 | 144.9 Ų | 144.9 | 92% | 0.917 | 80% | 0.799 | S | S | * | * | trans | -52.6 | 132.6 | 173.7 | -67.8 | 167.2 | 173.1 | 174.8 | 0 | 111.4 | ||||
| 54 | L | 27.2 | Very low | 27.2 | Very low | 156 Ų | 156 | 142.3 Ų | 142.3 | 82% | 0.817 | 80% | 0.804 | S | S | * | * | trans | -135.1 | 139.5 | 152.3 | -89 | 165.9 | 0 | 0 | 0 | 109.2 | ||||
| 55 | P | 26.2 | Very low | 27 | Very low | 109 Ų | 109 | 139.3 Ų | 139.3 | 71% | 0.708 | 80% | 0.803 | S | S | * | * | trans | -93.2 | 125.9 | -170.6 | 35.1 | -28.9 | 0 | 0 | 0 | 111.2 | ||||
| 56 | F | 26.8 | Very low | 27 | Very low | 179 Ų | 179 | 138.5 Ų | 138.5 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | -138.7 | 113 | 156.2 | -79.3 | -77.3 | 0 | 0 | 0 | 108.7 | F58 | F56-F58 HydrophobicContact CB-CE2 4.13Š| ||
| 57 | S | 21.7 | Very low | 27.1 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -76.2 | 121.4 | 168.5 | 49.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 58 | F | 24.2 | Very low | 27.3 | Very low | 181 Ų | 181 | 138.4 Ų | 138.4 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | trans | -115.6 | 112.2 | 158.5 | -71.6 | -83.1 | 0 | 0 | 0 | 107.8 | F56 | F56-F58 HydrophobicContact CB-CE2 4.13Š| ||
| 59 | S | 21.2 | Very low | 27.2 | Very low | 122 Ų | 122 | 146.4 Ų | 146.4 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | trans | -78.2 | 120.2 | 170.3 | 48.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 60 | V | 25.2 | Very low | 27.4 | Very low | 130 Ų | 130 | 150.7 Ų | 150.7 | 79% | 0.788 | 83% | 0.826 | S | S | * | * | trans | -91.4 | 110.7 | 168 | 177.4 | 0 | 0 | 0 | 0 | 107.3 | Q62 | V60-Q62 PolarHBondContact O-N 3.47Š| ||
| 61 | S | 23 | Very low | 27.5 | Very low | 108 Ų | 108 | 152.3 Ų | 152.3 | 76% | 0.755 | 83% | 0.825 | S | S | * | * | trans | -77.2 | 111.6 | 169.4 | 56.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 62 | Q | 26.7 | Very low | 27.8 | Very low | 181 Ų | 181 | 150 Ų | 150 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | trans | -79.7 | 116.1 | 164.6 | -79.1 | 176.8 | -4.8 | 0 | 0 | 108.9 | V60 A64 | V60-Q62 PolarHBondContact O-N 3.47Å; Q62-A64 PolarHBondContact O-N 3.43Å | ||
| 63 | T | 26.3 | Very low | 27.8 | Very low | 145 Ų | 145 | 149.7 Ų | 149.7 | 89% | 0.89 | 82% | 0.822 | S | S | * | * | trans | -84.4 | 101.8 | 161.9 | 38.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 64 | A | 26.6 | Very low | 28.2 | Very low | 97 Ų | 97 | 146.8 Ų | 146.8 | 80% | 0.802 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 123 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | Q62 | Q62-A64 PolarHBondContact O-N 3.43Š|
| 65 | A | 28.7 | Very low | 28.4 | Very low | 99 Ų | 99 | 143.3 Ų | 143.3 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -102 | 140.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||
| 66 | P | 31.3 | Very low | 28.6 | Very low | 117 Ų | 117 | 144.5 Ų | 144.5 | 76% | 0.76 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 144.7 | -159.8 | 37.3 | -29.2 | 0 | 0 | 0 | 112.5 | ||
| 67 | D | 34.8 | Very low | 28.8 | Very low | 163 Ų | 163 | 139.4 Ų | 139.4 | 87% | 0.872 | 82% | 0.819 | S | S | * | * | -170.6 | 152.8 | 128.5 | -121.3 | -29.1 | 0 | 0 | 0 | 113.4 | |||||
| 68 | Q | 33.6 | Very low | 29.1 | Very low | 189 Ų | 189 | 138.1 Ų | 138.1 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | trans | 87.1 | 73.5 | 179.2 | -54.6 | -151.8 | -34.4 | 0 | 0 | 118.3 | ||||
| 69 | R | 26.9 | Very low | 29.3 | Very low | 245 Ų | 245 | 139.3 Ų | 139.3 | 93% | 0.925 | 82% | 0.821 | S | S | * | * | trans | -89.7 | 125.1 | 143.8 | -86.4 | -178.7 | 174.3 | 173.2 | -0.8 | 109.4 | ||||
| 70 | K | 33.3 | Very low | 29.7 | Very low | 199 Ų | 199 | 137.2 Ų | 137.2 | 87% | 0.865 | 81% | 0.811 | S | S | * | * | trans | -171.8 | 135.7 | 134.7 | -109.8 | 168.5 | -173.2 | -179.5 | 0 | 111.9 | ||||
| 71 | L | 32.7 | Very low | 29.8 | Very low | 145 Ų | 145 | 137 Ų | 137 | 76% | 0.759 | 82% | 0.815 | S | S | * | * | trans | 101.8 | 102.3 | 152.7 | -63.7 | 154.8 | 0 | 0 | 0 | 118.5 | ||||
| 72 | L | 32.6 | Very low | 30.1 | Very low | 152 Ų | 152 | 138.9 Ų | 138.9 | 80% | 0.796 | 82% | 0.816 | S | S | * | * | trans | 91.3 | 89 | 130.1 | -61.5 | 164.8 | 0 | 0 | 0 | 117.7 | ||||
| 73 | A | 29.1 | Very low | 30.2 | Very low | 98 Ų | 98 | 140.9 Ų | 140.9 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | trans | -98.9 | 109.7 | 143.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 74 | N | 34.1 | Very low | 30.5 | Very low | 150 Ų | 150 | 140.1 Ų | 140.1 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | trans | -150 | 95.6 | 152.7 | -102.4 | -7.9 | 0 | 0 | 0 | 104 | ||||
| 75 | A | 30.9 | Very low | 30.6 | Very low | 84 Ų | 84 | 143.2 Ų | 143.2 | 69% | 0.694 | 82% | 0.815 | S | S | * | * | 88.6 | 137.9 | 83.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 76 | S | 32.1 | Very low | 30.7 | Very low | 133 Ų | 133 | 145.4 Ų | 145.4 | 93% | 0.93 | 81% | 0.813 | S | S | * | * | trans | 80.3 | 130.7 | 169.9 | 79.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 77 | G | 30.3 | Very low | 30.7 | Very low | 72 Ų | 72 | 145.9 Ų | 145.9 | 74% | 0.742 | 82% | 0.816 | S | S | * | * | trans | 130.7 | 70.2 | 155 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 78 | A | 28.6 | Very low | 30.3 | Very low | 91 Ų | 91 | 147 Ų | 147 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | trans | 75.1 | 136.3 | 137.5 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 79 | K | 27.4 | Very low | 30 | Very low | 205 Ų | 205 | 149 Ų | 149 | 89% | 0.891 | 81% | 0.813 | S | S | * | * | trans | 78.4 | 130.6 | 142 | -76.2 | 173.5 | -179.8 | 179.1 | 0 | 120.2 | ||||
| 80 | A | 30.2 | Very low | 30 | Very low | 78 Ų | 78 | 144.2 Ų | 144.2 | 65% | 0.645 | 81% | 0.81 | S | S | * | * | trans | 92 | 111.7 | 135 | 0 | 0 | 0 | 0 | 0 | 118.3 | L82 | A80-L82 HydrophobicContact CB-CD1 4.12Å; A80-L82 PolarHBondContact O-N 3.27Å; A80-L82 VanDerWaalsContact O-N 3.15Å | ||
| 81 | S | 26.7 | Very low | 29.7 | Very low | 126 Ų | 126 | 141.2 Ų | 141.2 | 88% | 0.881 | 81% | 0.808 | S | S | * | * | trans | -36.3 | 110.8 | 144.4 | 176.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 82 | L | 29 | Very low | 29.5 | Very low | 148 Ų | 148 | 140.6 Ų | 140.6 | 78% | 0.775 | 81% | 0.81 | S | S | * | * | trans | -147.3 | 122.8 | 165 | -100.4 | 128.3 | 0 | 0 | 0 | 109.5 | A80 | A80-L82 HydrophobicContact CB-CD1 4.12Å; A80-L82 PolarHBondContact O-N 3.27Å; A80-L82 VanDerWaalsContact O-N 3.15Å | ||
| 83 | R | 28.6 | Very low | 29.3 | Very low | 222 Ų | 222 | 136 Ų | 136 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | trans | -44.2 | 144.4 | 175 | -60.8 | 171.8 | -171.1 | -159.1 | 0.5 | 111.3 | L85 | R83-L85 PolarHBondContact O-N 3.03Š| ||
| 84 | P | 33.3 | Very low | 29.4 | Very low | 129 Ų | 129 | 138 Ų | 138 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | trans | -68.7 | 113.5 | 170.3 | 29.8 | -30.3 | 0 | 0 | 0 | 108.2 | L86 | P84-L86 PolarHBondContact O-N 3.47Š| ||
| 85 | L | 28.8 | Very low | 29.4 | Very low | 162 Ų | 162 | 136.5 Ų | 136.5 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | trans | -56.4 | 117.9 | 174.9 | -74.3 | 154.8 | 0 | 0 | 0 | 110 | R83 | R83-L85 PolarHBondContact O-N 3.03Š| ||
| 86 | L | 30.2 | Very low | 29.3 | Very low | 145 Ų | 145 | 136.9 Ų | 136.9 | 76% | 0.759 | 81% | 0.813 | S | S | * | * | trans | -60.9 | 134.7 | 164.3 | -76 | 153.9 | 0 | 0 | 0 | 109.6 | P84 K88 | P84-L86 PolarHBondContact O-N 3.47Å; L86-K88 VanDerWaalsContact C-N 3.34Å; L86-K88 PolarHBondContact O-N 3.41Å | ||
| 87 | P | 31.2 | Very low | 29.3 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -71 | 98.8 | 153.9 | 29.2 | -27.1 | 0 | 0 | 0 | 107.6 | R89 | P87-R89 PolarHBondContact O-N 2.9Š| ||
| 88 | K | 27.7 | Very low | 29.3 | Very low | 187 Ų | 187 | 140.3 Ų | 140.3 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | trans | -69.2 | 107.9 | 162.9 | -73.8 | 179.8 | 175.4 | -179 | 0 | 108.1 | L86 | L86-K88 VanDerWaalsContact C-N 3.34Å; L86-K88 PolarHBondContact O-N 3.41Å | ||
| 89 | R | 26 | Very low | 29.2 | Very low | 232 Ų | 232 | 143.5 Ų | 143.5 | 88% | 0.875 | 81% | 0.81 | S | S | * | * | trans | 147.8 | 112.1 | 148.8 | -87.1 | 174.3 | -173.4 | -168.1 | 2.3 | 110.2 | P87 | P87-R89 PolarHBondContact O-N 2.9Š| ||
| 90 | V | 27.4 | Very low | 29.4 | Very low | 144 Ų | 144 | 141.8 Ų | 141.8 | 87% | 0.873 | 81% | 0.808 | S | S | * | * | trans | -133.4 | 122.7 | 146.5 | 179.6 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 91 | V | 26.7 | Very low | 29.4 | Very low | 135 Ų | 135 | 142.9 Ų | 142.9 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -72.6 | 139.6 | -171.6 | 174.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 92 | V | 27.7 | Very low | 29.7 | Very low | 132 Ų | 132 | 140.6 Ų | 140.6 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | trans | -116.3 | 127.8 | 179.5 | 178.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 93 | G | 28.7 | Very low | 30 | Very low | 56 Ų | 56 | 141 Ų | 141 | 58% | 0.577 | 77% | 0.773 | S | S | * | * | trans | 61.5 | 155.4 | 146 | 0 | 0 | 0 | 0 | 0 | 120.7 | T95 | G93-T95 PolarHBondContact O-N 3.44Å; G93-T95 VanDerWaalsContact O-N 3.08Å | ||
| 94 | P | 30.9 | Very low | 30.7 | Very low | 139 Ų | 139 | 139.3 Ų | 139.3 | 90% | 0.903 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -77.7 | 8.8 | -171.5 | -0.3 | 17.8 | 0 | 0 | 0 | 115.2 | ||
| 95 | T | 35.1 | Very low | 31 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -140.1 | 106.8 | -179.5 | 47.3 | 0 | 0 | 0 | 0 | 109 | G93 A97 | G93-T95 PolarHBondContact O-N 3.44Å; G93-T95 VanDerWaalsContact O-N 3.08Å; T95-A97 VanDerWaalsContact C-N 3.27Å; T95-A97 PolarHBondContact O-N 2.83Å |
| 96 | G | 28.4 | Very low | 31.8 | Very low | 92 Ų | 92 | 134.2 Ų | 134.2 | 95% | 0.948 | 73% | 0.73 | S | S | * | * | trans | -72.5 | 64.7 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 97 | A | 32.2 | Very low | 32.6 | Very low | 80 Ų | 80 | 135.7 Ų | 135.7 | 66% | 0.661 | 73% | 0.726 | S | S | * | * | trans | -115.2 | 97 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | T95 M99 | T95-A97 VanDerWaalsContact C-N 3.27Å; T95-A97 PolarHBondContact O-N 2.83Å; A97-M99 PolarHBondContact O-N 3.49Å; A97-M99 VanDerWaalsContact O-N 3.1Å | ||
| 98 | E | 30.9 | Very low | 33.7 | Very low | 197 Ų | 197 | 133.5 Ų | 133.5 | 92% | 0.921 | 71% | 0.712 | S | S | * | * | trans | -69.6 | 99.1 | 167.5 | -77.2 | -168 | 155.3 | 0 | 0 | 109.5 | ||||
| 99 | M | 26.1 | Very low | 35.2 | Very low | 158 Ų | 158 | 128.8 Ų | 128.8 | 78% | 0.778 | 70% | 0.695 | S | S | * | * | trans | -92.7 | 109.6 | 162.5 | -102.6 | -167.3 | -81.2 | 0 | 0 | 109.4 | A97 I101 | A97-M99 PolarHBondContact O-N 3.49Å; A97-M99 VanDerWaalsContact O-N 3.1Å; M99-I101 HydrophobicContact CB-CG1 4.3Å; M99-I101 PolarHBondContact O-N 3.42Å | ||
| 100 | I | 30.9 | Very low | 36.7 | Very low | 168 Ų | 168 | 125 Ų | 125 | 86% | 0.862 | 69% | 0.685 | S | S | * | * | trans | -76.2 | 97.4 | 167.9 | -59.4 | 173.1 | 0 | 0 | 0 | 107.4 | ||||
| 101 | I | 31.2 | Very low | 38.4 | Very low | 101 Ų | 101 | 123.2 Ų | 123.2 | 52% | 0.518 | 67% | 0.666 | S | S | . | * | trans | -90.9 | 120.4 | 174.7 | -55.9 | 177.9 | 0 | 0 | 0 | 108.7 | M99 Y103 A106 | M99-I101 HydrophobicContact CB-CG1 4.3Å; M99-I101 PolarHBondContact O-N 3.42Å; I101-Y103 PolarHBondContact O-N 2.97Å; I101-A106 HydrophobicContact CG2-CB 3.99Å | ||
| 102 | D | 32.2 | Very low | 40 | Very low | 78 Ų | 78 | 123 Ų | 123 | 42% | 0.417 | 65% | 0.654 | S | S | . | * | trans | -53.7 | 125.6 | 172 | -173.4 | -14.4 | 0 | 0 | 0 | 110.4 | R104 K105 A106 | D102-R104 PolarHBondContact O-N 3.28Å; D102-R104 PolarHBondContact OD1-N 3.43Å; D102-K105 HydrophobicContact CB-CG 4.47Å; D102-K105 WeakPolarHBondContact O-CA 3.47Å; D102-K105 PolarHBondContact O-N 3.35Å; D102-A106 PolarHBondContact O-N 3Å; D102-A106 VanDerWaalsContact O-N 3.1Å | ||
| 103 | Y | 35.9 | Very low | 41.4 | Very low | 157 Ų | 157 | 124 Ų | 124 | 62% | 0.616 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -57.5 | -24.4 | -176.2 | 61.7 | -85.7 | 0 | 0 | 0 | 113 | I101 K105 W107 | I101-Y103 PolarHBondContact O-N 2.97Å; Y103-K105 VanDerWaalsContact C-N 3.35Å; Y103-W107 PolarHBondContact O-N 3.44Å |
| 104 | R | 42.9 | Very low | 42.9 | Very low | 187 Ų | 187 | 125 Ų | 125 | 71% | 0.706 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -72.7 | -25.6 | 173.6 | -65 | -168.4 | -174 | -157.8 | 3.3 | 113.4 | D102 | D102-R104 PolarHBondContact O-N 3.28Å; D102-R104 PolarHBondContact OD1-N 3.43Å |
| 105 | K | 40.3 | Very low | 44.1 | Very low | 149 Ų | 149 | 122 Ų | 122 | 65% | 0.648 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -93.1 | -22.2 | 177.2 | -64 | -173.7 | -179.2 | -178.6 | 0 | 113 | D102 Y103 P108 | D102-K105 HydrophobicContact CB-CG 4.47Å; D102-K105 WeakPolarHBondContact O-CA 3.47Å; D102-K105 PolarHBondContact O-N 3.35Å; Y103-K105 VanDerWaalsContact C-N 3.35Å; K105-P108 WeakPolarHBondContact O-CD 3.26Å |
| 106 | A | 44.5 | Very low | 45 | Very low | 34 Ų | 34 | 120.5 Ų | 120.5 | 28% | 0.281 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -79.3 | -25.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | I101 D102 I109 F110 | I101-A106 HydrophobicContact CG2-CB 3.99Å; D102-A106 PolarHBondContact O-N 3Å; D102-A106 VanDerWaalsContact O-N 3.1Å; A106-I109 PolarHBondContact O-N 3.49Å; A106-F110 WeakPolarHBondContact O-CB 3.26Å; A106-F110 PolarHBondContact O-N 2.96Å |
| 107 | W | 48.3 | Very low | 46.1 | Very low | 176 Ų | 176 | 118.6 Ų | 118.6 | 67% | 0.667 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -58.8 | -47.3 | -180 | -107.6 | 70.6 | 0 | 0 | 0 | 114.4 | Y103 I109 F110 F111 | Y103-W107 PolarHBondContact O-N 3.44Å; W107-I109 VanDerWaalsContact C-N 3.27Å; W107-I109 PolarHBondContact O-N 3.47Å; W107-F110 PolarHBondContact O-N 3.38Å; W107-F111 WeakPolarHBondContact O-CB 3.24Å; W107-F111 PolarHBondContact O-N 3.11Å |
| 108 | P | 54 | Low | 47 | Very low | 82 Ų | 82 | 118.9 Ų | 118.9 | 53% | 0.532 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -60.7 | -37.5 | 175.6 | -21.9 | 31.5 | 0 | 0 | 0 | 112.5 | K105 F112 | K105-P108 WeakPolarHBondContact O-CD 3.26Å; P108-F112 VanDerWaalsContact O-CB 3.3Å; P108-F112 WeakPolarHBondContact O-CB 3.5Å; P108-F112 PolarHBondContact O-N 3.35Å |
| 109 | I | 59.1 | Low | 47.7 | Very low | 88 Ų | 88 | 115.7 Ų | 115.7 | 45% | 0.451 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69.5 | -47.6 | 179.8 | -59.9 | 172.4 | 0 | 0 | 0 | 110 | A106 W107 F111 F112 Y113 | A106-I109 PolarHBondContact O-N 3.49Å; W107-I109 VanDerWaalsContact C-N 3.27Å; W107-I109 PolarHBondContact O-N 3.47Å; I109-F111 VanDerWaalsContact C-N 3.33Å; I109-F111 PolarHBondContact O-N 2.96Å; I109-F112 WeakPolarHBondContact O-CB 3.32Å; I109-F112 PolarHBondContact O-N 3.42Å; I109-Y113 HydrophobicContact CG2-CD2 3.74Å; I109-Y113 HydrophobicContact CG2-CE2 3.45Å; I109-Y113 VanDerWaalsContact CG2-CE2 3.45Å; I109-Y113 WeakPolarHBondContact O-CD2 3.49Å; I109-Y113 PolarHBondContact O-N 3.33Å |
| 110 | F | 56.7 | Low | 48.5 | Very low | 151 Ų | 151 | 113.8 Ų | 113.8 | 66% | 0.662 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.8 | -37.9 | 177.6 | -161.6 | -88.4 | 0 | 0 | 0 | 111.9 | A106 W107 Y113 L114 | A106-F110 WeakPolarHBondContact O-CB 3.26Å; A106-F110 PolarHBondContact O-N 2.96Å; W107-F110 PolarHBondContact O-N 3.38Å; F110-Y113 PolarHBondContact O-N 3.04Å; F110-L114 VanDerWaalsContact O-CB 3.31Å; F110-L114 WeakPolarHBondContact O-CB 3.47Å; F110-L114 PolarHBondContact O-N 3.14Å |
| 111 | F | 63.6 | Low | 49.2 | Very low | 108 Ų | 108 | 109.5 Ų | 109.5 | 47% | 0.474 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67 | -39.2 | 174.6 | -172.9 | -105.4 | 0 | 0 | 0 | 111.8 | W107 I109 L114 L115 | W107-F111 WeakPolarHBondContact O-CB 3.24Å; W107-F111 PolarHBondContact O-N 3.11Å; I109-F111 VanDerWaalsContact C-N 3.33Å; I109-F111 PolarHBondContact O-N 2.96Å; F111-L114 PolarHBondContact O-N 3.46Å; F111-L115 HydrophobicContact CD1-CD1 3.62Å; F111-L115 HydrophobicContact CD1-CG 4.22Å; F111-L115 HydrophobicContact CE1-CD1 3.26Å; F111-L115 HydrophobicContact CE1-CG 3.91Å; F111-L115 HydrophobicContact CZ-CD1 3.89Å; F111-L115 HydrophobicContact CZ-CD2 4.39Å; F111-L115 HydrophobicContact CZ-CG 4.1Å; F111-L115 WeakPolarHBondContact O-CB 3.46Å; F111-L115 WeakPolarHBondContact O-CG 3.31Å; F111-L115 PolarHBondContact O-N 2.89Å |
| 112 | F | 60.4 | Low | 49.7 | Very low | 130 Ų | 130 | 112.7 Ų | 112.7 | 57% | 0.57 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61 | -48.4 | 172.9 | -171.7 | -91.6 | 0 | 0 | 0 | 111.1 | P108 I109 L114 L115 Q116 | P108-F112 VanDerWaalsContact O-CB 3.3Å; P108-F112 WeakPolarHBondContact O-CB 3.5Å; P108-F112 PolarHBondContact O-N 3.35Å; I109-F112 WeakPolarHBondContact O-CB 3.32Å; I109-F112 PolarHBondContact O-N 3.42Å; F112-L114 VanDerWaalsContact C-N 3.33Å; F112-L114 PolarHBondContact O-N 3.09Å; F112-L115 PolarHBondContact O-N 3.03Å; F112-Q116 WeakPolarHBondContact O-CB 3.23Å; F112-Q116 PolarHBondContact O-N 3.49Å |
| 113 | Y | 57.5 | Low | 50.1 | Low | 152 Ų | 152 | 113.2 Ų | 113.2 | 60% | 0.596 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.1 | -34.5 | 175.5 | -75.9 | -65.9 | 0 | 0 | 0 | 113.4 | I109 F110 A117 | I109-Y113 HydrophobicContact CG2-CD2 3.74Å; I109-Y113 HydrophobicContact CG2-CE2 3.45Å; I109-Y113 VanDerWaalsContact CG2-CE2 3.45Å; I109-Y113 WeakPolarHBondContact O-CD2 3.49Å; I109-Y113 PolarHBondContact O-N 3.33Å; F110-Y113 PolarHBondContact O-N 3.04Å; Y113-A117 VanDerWaalsContact O-CB 3.32Å; Y113-A117 WeakPolarHBondContact O-CB 3.07Å; Y113-A117 PolarHBondContact O-N 2.9Å |
| 114 | L | 59.4 | Low | 51 | Low | 78 Ų | 78 | 113.9 Ų | 113.9 | 41% | 0.408 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69.3 | -40.6 | 175.2 | -168.3 | 80.1 | 0 | 0 | 0 | 111.6 | F110 F111 F112 A117 L118 | F110-L114 VanDerWaalsContact O-CB 3.31Å; F110-L114 WeakPolarHBondContact O-CB 3.47Å; F110-L114 PolarHBondContact O-N 3.14Å; F111-L114 PolarHBondContact O-N 3.46Å; F112-L114 VanDerWaalsContact C-N 3.33Å; F112-L114 PolarHBondContact O-N 3.09Å; L114-A117 PolarHBondContact O-N 2.98Å; L114-L118 HydrophobicContact CG-CD1 4.3Å; L114-L118 WeakPolarHBondContact O-CB 3.31Å; L114-L118 WeakPolarHBondContact O-CG 2.97Å; L114-L118 PolarHBondContact O-N 2.88Å |
| 115 | L | 55.9 | Low | 51.9 | Low | 75 Ų | 75 | 109.5 Ų | 109.5 | 39% | 0.393 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.6 | -44 | 172.8 | -82.7 | 173.3 | 0 | 0 | 0 | 110.9 | F111 F112 A117 L118 E119 | F111-L115 HydrophobicContact CD1-CD1 3.62Å; F111-L115 HydrophobicContact CD1-CG 4.22Å; F111-L115 HydrophobicContact CE1-CD1 3.26Å; F111-L115 HydrophobicContact CE1-CG 3.91Å; F111-L115 HydrophobicContact CZ-CD1 3.89Å; F111-L115 HydrophobicContact CZ-CD2 4.39Å; F111-L115 HydrophobicContact CZ-CG 4.1Å; F111-L115 WeakPolarHBondContact O-CB 3.46Å; F111-L115 WeakPolarHBondContact O-CG 3.31Å; F111-L115 PolarHBondContact O-N 2.89Å; F112-L115 PolarHBondContact O-N 3.03Å; L115-A117 VanDerWaalsContact C-N 3.31Å; L115-A117 PolarHBondContact O-N 3.47Å; L115-L118 CarbonylContact O-C 3.51Å; L115-L118 WeakPolarHBondContact O-CA 3.25Å; L115-L118 WeakPolarHBondContact O-CB 3.39Å; L115-L118 PolarHBondContact O-N 2.97Å; L115-E119 PolarHBondContact O-N 2.96Å |
| 116 | Q | 55.1 | Low | 53.8 | Low | 89 Ų | 89 | 105.3 Ų | 105.3 | 42% | 0.416 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.1 | -40.9 | 175.6 | -137.6 | 174 | -15.1 | 0 | 0 | 111.3 | F112 L118 E119 D120 | F112-Q116 WeakPolarHBondContact O-CB 3.23Å; F112-Q116 PolarHBondContact O-N 3.49Å; Q116-L118 VanDerWaalsContact C-N 3.34Å; Q116-L118 PolarHBondContact O-N 2.89Å; Q116-E119 PolarHBondContact O-N 2.99Å; Q116-D120 PolarHBondContact O-N 2.77Å |
| 117 | A | 51.7 | Low | 55.7 | Low | 53 Ų | 53 | 109.4 Ų | 109.4 | 44% | 0.438 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.7 | -31.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y113 L114 L115 T121 | Y113-A117 VanDerWaalsContact O-CB 3.32Å; Y113-A117 WeakPolarHBondContact O-CB 3.07Å; Y113-A117 PolarHBondContact O-N 2.9Å; L114-A117 PolarHBondContact O-N 2.98Å; L115-A117 VanDerWaalsContact C-N 3.31Å; L115-A117 PolarHBondContact O-N 3.47Å; A117-T121 WeakPolarHBondContact O-CG2 3.32Å; A117-T121 PolarHBondContact O-N 3.43Å |
| 118 | L | 49.9 | Very low | 57.7 | Low | 86 Ų | 86 | 106 Ų | 106 | 45% | 0.45 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -75.3 | -38.3 | 174.9 | -78.2 | 161.9 | 0 | 0 | 0 | 111.8 | L114 L115 Q116 D120 T121 Q122 | L114-L118 HydrophobicContact CG-CD1 4.3Å; L114-L118 WeakPolarHBondContact O-CB 3.31Å; L114-L118 WeakPolarHBondContact O-CG 2.97Å; L114-L118 PolarHBondContact O-N 2.88Å; L115-L118 CarbonylContact O-C 3.51Å; L115-L118 WeakPolarHBondContact O-CA 3.25Å; L115-L118 WeakPolarHBondContact O-CB 3.39Å; L115-L118 PolarHBondContact O-N 2.97Å; Q116-L118 VanDerWaalsContact C-N 3.34Å; Q116-L118 PolarHBondContact O-N 2.89Å; L118-D120 VanDerWaalsContact C-N 3.34Å; L118-T121 WeakPolarHBondContact CA-OG1 3.49Å; L118-T121 PolarHBondContact O-N 3.47Å; L118-T121 VanDerWaalsContact O-N 3.08Å; L118-T121 PolarHBondContact O-OG1 2.98Å; L118-Q122 PolarHBondContact O-N 3.4Å |
| 119 | E | 46 | Very low | 59.5 | Low | 129 Ų | 129 | 104.7 Ų | 104.7 | 60% | 0.603 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.9 | -40 | 170.9 | -95.8 | 166.5 | 149 | 0 | 0 | 111.5 | L115 Q116 T121 Q122 S123 | L115-E119 PolarHBondContact O-N 2.96Å; Q116-E119 PolarHBondContact O-N 2.99Å; E119-T121 PolarHBondContact O-N 3.04Å; E119-Q122 PolarHBondContact O-N 2.7Å; E119-Q122 VanDerWaalsContact O-N 3.11Å; E119-S123 PolarHBondContact O-N 2.85Å |
| 120 | D | 43.4 | Very low | 61 | Low | 119 Ų | 119 | 104.2 Ų | 104.2 | 64% | 0.636 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.6 | -28.4 | 171.3 | -85.5 | -19 | 0 | 0 | 0 | 112.7 | Q116 L118 | Q116-D120 PolarHBondContact O-N 2.77Å; L118-D120 VanDerWaalsContact C-N 3.34Å |
| 121 | T | 44.7 | Very low | 62.7 | Low | 78 Ų | 78 | 97.1 Ų | 97.1 | 48% | 0.479 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -76.9 | -29.1 | 172.3 | 58.2 | 0 | 0 | 0 | 0 | 113.7 | A117 L118 E119 S123 | A117-T121 WeakPolarHBondContact O-CG2 3.32Å; A117-T121 PolarHBondContact O-N 3.43Å; L118-T121 WeakPolarHBondContact CA-OG1 3.49Å; L118-T121 PolarHBondContact O-N 3.47Å; L118-T121 VanDerWaalsContact O-N 3.08Å; L118-T121 PolarHBondContact O-OG1 2.98Å; E119-T121 PolarHBondContact O-N 3.04Å; T121-S123 VanDerWaalsContact C-N 3.35Å |
| 122 | Q | 42.7 | Very low | 64 | Low | 167 Ų | 167 | 94.5 Ų | 94.5 | 78% | 0.78 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -77.1 | -22.5 | 175 | -114.9 | 178 | -10.4 | 0 | 0 | 112.5 | L118 E119 | L118-Q122 PolarHBondContact O-N 3.4Å; E119-Q122 PolarHBondContact O-N 2.7Å; E119-Q122 VanDerWaalsContact O-N 3.11Å |
| 123 | S | 40.7 | Very low | 65.3 | Low | 90 Ų | 90 | 92 Ų | 92 | 63% | 0.629 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | 25.6 | 173.2 | -177.1 | 0 | 0 | 0 | 0 | 113.8 | E119 T121 S125 | E119-S123 PolarHBondContact O-N 2.85Å; T121-S123 VanDerWaalsContact C-N 3.35Å; S123-S125 PolarHBondContact O-N 2.74Å |
| 124 | R | 55.1 | Low | 66.6 | Low | 170 Ų | 170 | 89.6 Ų | 89.6 | 64% | 0.642 | 48% | 0.478 | S | S | * | . | trans | -73.8 | 83.4 | 162.6 | -85.5 | -176.7 | 175 | -179.6 | -0.4 | 108.8 | V126 | R124-V126 PolarHBondContact O-N 2.73Š| ||
| 125 | S | 61.5 | Low | 68 | Low | 95 Ų | 95 | 88.3 Ų | 88.3 | 66% | 0.664 | 47% | 0.474 | S | S | * | . | trans | -58.6 | 99.4 | 176.6 | 65.3 | 0 | 0 | 0 | 0 | 109.3 | S123 K127 | S123-S125 PolarHBondContact O-N 2.74Å; S125-K127 PolarHBondContact O-N 3.08Å; S125-K127 VanDerWaalsContact O-N 3.1Å | ||
| 126 | V | 78.8 | Confident | 69.6 | Low | 62 Ų | 62 | 88.6 Ų | 88.6 | 38% | 0.376 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 116.1 | 170.6 | 177 | 0 | 0 | 0 | 0 | 106.3 | R124 E128 V215 R217 | R124-V126 PolarHBondContact O-N 2.73Å; V126-E128 PolarHBondContact O-N 2.9Å; V126-E128 VanDerWaalsContact O-N 3.16Å; V126-V215 HydrophobicContact CG1-CG1 4.19Å; V126-R217 HydrophobicContact CG1-CB 3.57Å |
| 127 | K | 85.4 | Confident | 71.2 | Confident | 119 Ų | 119 | 85.3 Ų | 85.3 | 52% | 0.517 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 116.8 | -178.7 | -176.9 | 176.9 | -179 | 178.7 | 0 | 108.1 | S125 V215 V216 R217 | S125-K127 PolarHBondContact O-N 3.08Å; S125-K127 VanDerWaalsContact O-N 3.1Å; K127-V215 PolarHBondContact N-O 2.92Å; K127-V216 HydrophobicContact CB-CG2 4.49Å; K127-V216 CarbonylContact O-C 3.59Å; K127-V216 WeakPolarHBondContact O-CA 3.41Å; K127-V216 WeakPolarHBondContact O-CG1 3.41Å; K127-R217 PolarHBondContact O-N 2.73Å |
| 128 | E | 89.6 | Confident | 73 | Confident | 106 Ų | 106 | 85.8 Ų | 85.8 | 50% | 0.495 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 132.8 | 173.7 | -60 | -152.7 | 152.7 | 0 | 0 | 110.4 | V126 R217 R219 | V126-E128 PolarHBondContact O-N 2.9Å; V126-E128 VanDerWaalsContact O-N 3.16Å; E128-R217 CarbonylContact C-O 3.53Å; E128-R217 WeakPolarHBondContact CA-O 3.08Å; E128-R217 HydrophobicContact CG-CB 4.48Å; E128-R219 IonicContact OE2-NH1 3.28Å |
| 129 | L | 91.6 | Very high | 74.8 | Confident | 54 Ų | 54 | 82.2 Ų | 82.2 | 28% | 0.283 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 114.9 | 175 | -179.9 | 63.9 | 0 | 0 | 0 | 108.9 | V137 L139 V216 R217 V218 R219 | L129-V137 HydrophobicContact CD2-CG1 3.5Å; L129-V137 VanDerWaalsContact CD2-CG1 3.5Å; L129-V137 HydrophobicContact CD2-CG2 4.42Å; L129-L139 HydrophobicContact CD2-CD2 3.95Å; L129-V216 HydrophobicContact CB-CG1 4.04Å; L129-R217 PolarHBondContact N-O 2.83Å; L129-V218 HydrophobicContact CD2-CG2 4.46Å; L129-V218 WeakPolarHBondContact O-CA 3.49Å; L129-R219 PolarHBondContact O-N 3.37Å |
| 130 | L | 92.5 | Very high | 76.7 | Confident | 78 Ų | 78 | 78.9 Ų | 78.9 | 41% | 0.408 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 123.7 | 173.8 | -61.4 | -174.4 | 0 | 0 | 0 | 109.2 | R219 V221 F252 | L130-R219 WeakPolarHBondContact CA-O 3.4Å; L130-R219 HydrophobicContact CD2-CB 3.87Å; L130-V221 HydrophobicContact CB-CG1 3.75Å; L130-V221 HydrophobicContact CD1-CG1 4.29Å; L130-V221 HydrophobicContact CD2-CG1 3.88Å; L130-V221 HydrophobicContact CG-CG1 4.17Å; L130-F252 HydrophobicContact CD2-CE1 4.05Å |
| 131 | A | 92.1 | Very high | 78.7 | Confident | 2 Ų | 2 | 73.7 Ų | 73.7 | 2% | 0.017 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 123.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111 | V137 L196 V218 R219 I220 V221 | A131-V137 HydrophobicContact CB-CG2 3.56Å; A131-L196 HydrophobicContact CB-CD1 3.5Å; A131-V218 HydrophobicContact CB-CG1 4.46Å; A131-R219 PolarHBondContact N-O 3.04Å; A131-I220 HydrophobicContact CB-CD1 4.25Å; A131-I220 CarbonylContact O-C 3.57Å; A131-I220 VanDerWaalsContact O-CA 3.25Å; A131-I220 WeakPolarHBondContact O-CA 3.23Å; A131-V221 PolarHBondContact O-N 2.97Å |
| 132 | P | 91 | Very high | 80.4 | Confident | 52 Ų | 52 | 75.9 Ų | 75.9 | 34% | 0.338 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 147.8 | -178.4 | -19.7 | 30.2 | 0 | 0 | 0 | 112.7 | T135 V221 | P132-T135 HydrophobicContact CB-CG2 3.76Å; P132-T135 HydrophobicContact CG-CG2 4.14Å; P132-T135 WeakPolarHBondContact O-CB 3.27Å; P132-T135 PolarHBondContact O-N 2.84Å; P132-T135 PolarHBondContact O-OG1 2.72Å; P132-V221 CarbonylContact C-O 3.6Å; P132-V221 VanDerWaalsContact CA-CG2 3.48Å; P132-V221 VanDerWaalsContact CA-O 3.31Å; P132-V221 WeakPolarHBondContact CA-O 3.28Å; P132-V221 HydrophobicContact CB-CG2 4.03Å; P132-V221 HydrophobicContact CG-CG2 3.87Å |
| 133 | Q | 87.3 | Confident | 82 | Confident | 77 Ų | 77 | 68.7 Ų | 68.7 | 36% | 0.36 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 149.3 | 171.3 | -168.5 | 174.8 | 6.1 | 0 | 0 | 110.6 | T135 L196 I220 V221 | Q133-T135 PolarHBondContact O-N 3.38Å; Q133-L196 WeakPolarHBondContact CG-O 3.22Å; Q133-I220 HydrophobicContact CB-CG2 4.09Å; Q133-V221 PolarHBondContact N-O 3.13Å |
| 134 | S | 85.1 | Confident | 83.2 | Confident | 102 Ų | 102 | 69.2 Ų | 69.2 | 71% | 0.713 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 5.9 | -176.5 | 65.4 | 0 | 0 | 0 | 0 | 116.5 | L196 | S134-L196 PolarHBondContact N-O 2.96Š|
| 135 | T | 87.8 | Confident | 83.6 | Confident | 52 Ų | 52 | 67.7 Ų | 67.7 | 32% | 0.319 | 38% | 0.383 | S | S | . | . | trans | -87.2 | 176.9 | 169.9 | 68.7 | 0 | 0 | 0 | 0 | 111.8 | P132 Q133 G195 L196 | P132-T135 HydrophobicContact CB-CG2 3.76Å; P132-T135 HydrophobicContact CG-CG2 4.14Å; P132-T135 WeakPolarHBondContact O-CB 3.27Å; P132-T135 PolarHBondContact O-N 2.84Å; P132-T135 PolarHBondContact O-OG1 2.72Å; Q133-T135 PolarHBondContact O-N 3.38Å; T135-G195 CarbonylContact O-C 3.55Å; T135-G195 WeakPolarHBondContact O-CA 3.39Å; T135-G195 PolarHBondContact O-N 2.9Å; T135-G195 VanDerWaalsContact O-N 3.1Å; T135-L196 WeakPolarHBondContact O-CG 3.34Å; T135-L196 PolarHBondContact O-N 2.75Å | ||
| 136 | S | 88.9 | Confident | 83.7 | Confident | 81 Ų | 81 | 68 Ų | 68 | 57% | 0.566 | 38% | 0.376 | S | S | * | . | trans | -118.8 | 147.8 | 171.9 | 56.7 | 0 | 0 | 0 | 0 | 111.1 | L193 | S136-L193 CarbonylContact C-O 3.51Å; S136-L193 WeakPolarHBondContact CA-O 3.4Å; S136-L193 WeakPolarHBondContact CB-O 3.28Å | ||
| 137 | V | 89.4 | Confident | 82.8 | Confident | 19 Ų | 19 | 71.5 Ų | 71.5 | 12% | 0.115 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 136.5 | 178.9 | 165.8 | 0 | 0 | 0 | 0 | 109.2 | L129 A131 L139 Q192 L193 L196 | L129-V137 HydrophobicContact CD2-CG1 3.5Å; L129-V137 VanDerWaalsContact CD2-CG1 3.5Å; L129-V137 HydrophobicContact CD2-CG2 4.42Å; A131-V137 HydrophobicContact CB-CG2 3.56Å; V137-L139 HydrophobicContact CG1-CD2 3.89Å; V137-L139 HydrophobicContact CG1-CG 4.21Å; V137-Q192 WeakPolarHBondContact O-CA 3.42Å; V137-L193 PolarHBondContact N-O 3.36Å; V137-L193 PolarHBondContact O-N 3.04Å; V137-L196 HydrophobicContact CB-CD1 4.24Å; V137-L196 HydrophobicContact CG2-CD1 3.69Å |
| 138 | S | 89.3 | Confident | 81.9 | Confident | 63 Ų | 63 | 71.6 Ų | 71.6 | 44% | 0.441 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 125.3 | 172.4 | -58.2 | 0 | 0 | 0 | 0 | 109.9 | L191 Q192 | S138-L191 CarbonylContact C-O 3.59Å; S138-L191 WeakPolarHBondContact CA-O 3.44Å; S138-Q192 PolarHBondContact OG-NE2 3.39Å |
| 139 | L | 89.1 | Confident | 80.9 | Confident | 12 Ų | 12 | 75.1 Ų | 75.1 | 6% | 0.063 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 130.9 | 175.3 | -59.1 | 179.1 | 0 | 0 | 0 | 109.2 | L129 V137 W155 L190 L191 F204 V216 V218 | L129-L139 HydrophobicContact CD2-CD2 3.95Å; V137-L139 HydrophobicContact CG1-CD2 3.89Å; V137-L139 HydrophobicContact CG1-CG 4.21Å; L139-W155 HydrophobicContact CB-CH2 3.58Å; L139-W155 HydrophobicContact CB-CZ2 4.38Å; L139-W155 HydrophobicContact CB-CZ3 3.91Å; L139-W155 HydrophobicContact CD1-CZ3 4.38Å; L139-W155 VanDerWaalsContact O-CZ2 3.29Å; L139-W155 WeakPolarHBondContact O-CZ2 3.41Å; L139-L190 WeakPolarHBondContact O-CA 3.38Å; L139-L190 WeakPolarHBondContact O-CD2 3.43Å; L139-L191 HydrophobicContact CB-CB 4.35Å; L139-L191 HydrophobicContact CD1-CD2 4.27Å; L139-L191 PolarHBondContact N-O 2.92Å; L139-L191 PolarHBondContact O-N 3.34Å; L139-F204 HydrophobicContact CD1-CB 3.58Å; L139-F204 HydrophobicContact CD1-CD1 4.18Å; L139-F204 HydrophobicContact CD1-CD2 4.35Å; L139-F204 HydrophobicContact CD1-CG 3.79Å; L139-V216 HydrophobicContact CD2-CG1 4.18Å; L139-V218 HydrophobicContact CD1-CG2 4.18Å |
| 140 | S | 84.9 | Confident | 80.1 | Confident | 58 Ų | 58 | 72.8 Ų | 72.8 | 41% | 0.406 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 137.1 | 173.5 | 44.3 | 0 | 0 | 0 | 0 | 110.5 | K142 | S140-K142 PolarHBondContact O-N 3.44Å; S140-K142 WeakPolarHBondContact OG-CE 3.49Å |
| 141 | C | 84.9 | Confident | 79.3 | Confident | 10 Ų | 10 | 76.1 Ų | 76.1 | 7% | 0.068 | 42% | 0.418 | C | S | . | . | trans | -73.8 | 113.3 | 175.5 | -174.8 | 0 | 0 | 0 | 0 | 109.7 | P143 A153 W155 C206 | C141-P143 WeakPolarHBondContact O-CD 3.25Å; C141-A153 HydrophobicContact CB-CB 3.68Å; C141-W155 HydrophobicContact CB-CH2 4.35Å; C141-W155 HydrophobicContact CB-CZ2 3.93Å; C141-C206 WeakPolarHBondContact CA-SG 3.39Å; C141-C206 HydrophobicContact CB-CB 3.79Å; C141-C206 WeakPolarHBondContact CB-SG 3.26Å; C141-C206 WeakPolarHBondContact SG-CB 3.19Å; C141-C206 CovalentContact SG-SG 2.03Å; C141-C206 PolarHBondContact SG-SG 3.47Å | ||
| 142 | K | 81.2 | Confident | 78.9 | Confident | 124 Ų | 124 | 79 Ų | 79 | 54% | 0.539 | 44% | 0.438 | S | S | . | . | trans | -116.9 | 90.7 | 177.7 | -62.8 | -173.4 | -177.6 | -171.8 | 0 | 109.8 | S140 G213 Q214 | S140-K142 PolarHBondContact O-N 3.44Å; S140-K142 WeakPolarHBondContact OG-CE 3.49Å; K142-G213 WeakPolarHBondContact O-CA 3.49Å; K142-Q214 PolarHBondContact O-N 2.8Å | ||
| 143 | P | 76.5 | Confident | 78.7 | Confident | 17 Ų | 17 | 76.5 Ų | 76.5 | 11% | 0.11 | 42% | 0.422 | C | S | . | . | B | Isolated β-bridge | trans | -58 | 139.3 | 171.8 | -19.3 | 32.9 | 0 | 0 | 0 | 111 | C141 L145 M146 C208 V211 | C141-P143 WeakPolarHBondContact O-CD 3.25Å; P143-L145 VanDerWaalsContact C-N 3.27Å; P143-L145 PolarHBondContact O-N 3.23Å; P143-M146 HydrophobicContact CB-CG 3.77Å; P143-M146 HydrophobicContact CG-CE 3.65Å; P143-M146 HydrophobicContact CG-CG 3.83Å; P143-M146 HydrophobicContact CG-SD 4.43Å; P143-C208 HydrophobicContact CG-CB 3.95Å; P143-V211 HydrophobicContact CB-CB 4.26Å; P143-V211 HydrophobicContact CB-CG1 3.88Å |
| 144 | L | 65.8 | Low | 78.8 | Confident | 100 Ų | 100 | 75.3 Ų | 75.3 | 52% | 0.524 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -70 | -25.3 | -176.8 | -65 | 171.4 | 0 | 0 | 0 | 112.9 | Q214 | L144-Q214 HydrophobicContact CD2-CB 4.47Š|
| 145 | L | 62.1 | Low | 79.1 | Confident | 139 Ų | 139 | 70.8 Ų | 70.8 | 73% | 0.728 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -132.7 | 90.1 | 178.3 | -68.6 | 164.1 | 0 | 0 | 0 | 107.9 | P143 | P143-L145 VanDerWaalsContact C-N 3.27Å; P143-L145 PolarHBondContact O-N 3.23Å |
| 146 | M | 63.8 | Low | 79.2 | Confident | 102 Ų | 102 | 69.7 Ų | 69.7 | 50% | 0.502 | 38% | 0.38 | S | S | . | . | trans | -91.1 | 106.1 | 176.4 | -84.7 | -168.8 | 146.7 | 0 | 0 | 110.2 | P143 C150 | P143-M146 HydrophobicContact CB-CG 3.77Å; P143-M146 HydrophobicContact CG-CE 3.65Å; P143-M146 HydrophobicContact CG-CG 3.83Å; P143-M146 HydrophobicContact CG-SD 4.43Å; M146-C150 HydrophobicContact CE-CB 3.62Å | ||
| 147 | V | 59.7 | Low | 79.3 | Confident | 134 Ų | 134 | 67.9 Ų | 67.9 | 81% | 0.812 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -91.2 | -27.2 | 167 | -173.7 | 0 | 0 | 0 | 0 | 110.8 | ||
| 148 | N | 66.6 | Low | 79.4 | Confident | 122 Ų | 122 | 70.9 Ų | 70.9 | 65% | 0.652 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -134.9 | 155.8 | -177.5 | -70.5 | -32.2 | 0 | 0 | 0 | 111.3 | C150 | N148-C150 PolarHBondContact O-N 2.79Š|
| 149 | K | 70 | Confident | 79.2 | Confident | 179 Ų | 179 | 70.5 Ų | 70.5 | 78% | 0.778 | 38% | 0.384 | S | S | * | . | trans | -59.8 | 129.8 | 173 | -67.2 | -175.8 | -179.9 | 179.3 | 0 | 109.6 | Q151 | K149-Q151 PolarHBondContact O-N 2.93Š| ||
| 150 | C | 74.9 | Confident | 79.2 | Confident | 6 Ų | 6 | 76.9 Ų | 76.9 | 4% | 0.041 | 41% | 0.413 | C | S | . | . | trans | -64.6 | 124.2 | 176.4 | 179.5 | 0 | 0 | 0 | 0 | 109.9 | M146 N148 I188 C208 | M146-C150 HydrophobicContact CE-CB 3.62Å; N148-C150 PolarHBondContact O-N 2.79Å; C150-I188 HydrophobicContact CB-CG2 3.81Å; C150-I188 WeakPolarHBondContact O-CG2 3.5Å; C150-C208 WeakPolarHBondContact CA-SG 3.26Å; C150-C208 HydrophobicContact CB-CB 4.05Å; C150-C208 WeakPolarHBondContact CB-SG 3.49Å; C150-C208 WeakPolarHBondContact SG-CB 3.31Å; C150-C208 CovalentContact SG-SG 2Å; C150-C208 PolarHBondContact SG-SG 2.95Å | ||
| 151 | Q | 76.1 | Confident | 79.5 | Confident | 148 Ų | 148 | 78.9 Ų | 78.9 | 69% | 0.692 | 42% | 0.423 | S | S | * | . | trans | -95.7 | -42.3 | -179.3 | -71.7 | -177.5 | -13.5 | 0 | 0 | 111.7 | K149 | K149-Q151 PolarHBondContact O-N 2.93Š| ||
| 152 | S | 83.1 | Confident | 79.6 | Confident | 61 Ų | 61 | 80.6 Ų | 80.6 | 43% | 0.427 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 143.2 | 173.9 | 63 | 0 | 0 | 0 | 0 | 110.5 | S165 C208 | S152-S165 CarbonylContact C-O 3.56Å; S152-S165 WeakPolarHBondContact CA-O 3.37Å; S152-C208 PolarHBondContact O-SG 2.85Å |
| 153 | A | 87.1 | Confident | 79.8 | Confident | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 121.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | C141 S164 S165 C206 I207 C208 | C141-A153 HydrophobicContact CB-CB 3.68Å; A153-S164 CarbonylContact O-C 3.55Å; A153-S164 WeakPolarHBondContact O-CA 3.13Å; A153-S165 PolarHBondContact N-O 3.19Å; A153-S165 PolarHBondContact O-N 2.91Å; A153-S165 PolarHBondContact O-OG 2.83Å; A153-C206 HydrophobicContact CB-CB 4.43Å; A153-I207 WeakPolarHBondContact CA-O 3.25Å; A153-C208 HydrophobicContact CB-CB 4.48Å |
| 154 | S | 89.1 | Confident | 80.2 | Confident | 52 Ų | 52 | 78.8 Ų | 78.8 | 36% | 0.364 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 125 | 170.8 | -57.3 | 0 | 0 | 0 | 0 | 109.4 | F156 C206 I207 | S154-F156 WeakPolarHBondContact O-CD2 3.29Å; S154-F156 WeakPolarHBondContact O-CE2 3.24Å; S154-C206 CarbonylContact O-C 3.53Å; S154-C206 WeakPolarHBondContact O-CA 3.43Å; S154-I207 PolarHBondContact N-O 3.33Å; S154-I207 PolarHBondContact O-N 2.8Å |
| 155 | W | 90.4 | Very high | 80.9 | Confident | 8 Ų | 8 | 74.1 Ų | 74.1 | 3% | 0.03 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 143.7 | -176.5 | -75.1 | 97.4 | 0 | 0 | 0 | 112.5 | L139 C141 L162 G163 S165 L171 G189 L191 C206 | L139-W155 HydrophobicContact CB-CH2 3.58Å; L139-W155 HydrophobicContact CB-CZ2 4.38Å; L139-W155 HydrophobicContact CB-CZ3 3.91Å; L139-W155 HydrophobicContact CD1-CZ3 4.38Å; L139-W155 VanDerWaalsContact O-CZ2 3.29Å; L139-W155 WeakPolarHBondContact O-CZ2 3.41Å; C141-W155 HydrophobicContact CB-CH2 4.35Å; C141-W155 HydrophobicContact CB-CZ2 3.93Å; W155-L162 HydrophobicContact CB-CB 4.24Å; W155-L162 HydrophobicContact CB-CD1 4.46Å; W155-L162 PolarHBondContact O-N 3.4Å; W155-G163 PolarHBondContact N-O 3.35Å; W155-S165 PolarHBondContact NE1-OG 2.72Å; W155-L171 HydrophobicContact CB-CD2 4.15Å; W155-L171 HydrophobicContact CG-CD2 4.46Å; W155-G189 WeakPolarHBondContact CZ2-O 3.38Å; W155-L191 HydrophobicContact CB-CD2 4.24Å; W155-L191 HydrophobicContact CD2-CB 3.56Å; W155-L191 HydrophobicContact CD2-CD2 3.75Å; W155-L191 HydrophobicContact CD2-CG 4.25Å; W155-L191 VanDerWaalsContact CE2-CB 3.42Å; W155-L191 HydrophobicContact CE3-CB 4.01Å; W155-L191 HydrophobicContact CE3-CD2 3.57Å; W155-L191 HydrophobicContact CE3-CG 4.45Å; W155-L191 HydrophobicContact CG-CB 3.96Å; W155-L191 HydrophobicContact CG-CD2 4.06Å; W155-L191 HydrophobicContact CG-CG 4.47Å; W155-L191 HydrophobicContact CH2-CB 4.18Å; W155-L191 HydrophobicContact CZ2-CB 3.75Å; W155-L191 HydrophobicContact CZ3-CB 4.29Å; W155-L191 HydrophobicContact CZ3-CD2 4.16Å; W155-C206 HydrophobicContact CD2-CB 4.05Å; W155-C206 HydrophobicContact CE3-CB 3.98Å; W155-C206 HydrophobicContact CH2-CB 4.39Å; W155-C206 HydrophobicContact CZ2-CB 4.44Å; W155-C206 HydrophobicContact CZ3-CB 4.16Å |
| 156 | F | 90.9 | Very high | 81.6 | Confident | 29 Ų | 29 | 68.6 Ų | 68.6 | 13% | 0.127 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 141.4 | -178.2 | -59.9 | -99 | 0 | 0 | 0 | 110.4 | S154 Q160 T161 F204 W205 I207 | S154-F156 WeakPolarHBondContact O-CD2 3.29Å; S154-F156 WeakPolarHBondContact O-CE2 3.24Å; F156-Q160 CarbonylContact C-O 3.46Å; F156-Q160 WeakPolarHBondContact CA-O 3.23Å; F156-T161 HydrophobicContact CD1-CG2 3.89Å; F156-T161 HydrophobicContact CE1-CG2 3.48Å; F156-T161 VanDerWaalsContact CE1-CG2 3.48Å; F156-T161 HydrophobicContact CZ-CG2 4.31Å; F156-F204 VanDerWaalsContact O-CA 3.31Å; F156-F204 WeakPolarHBondContact O-CA 3.5Å; F156-W205 HydrophobicContact CB-CD2 3.87Å; F156-W205 HydrophobicContact CB-CG 4.17Å; F156-W205 HydrophobicContact CB-CH2 4.44Å; F156-W205 HydrophobicContact CB-CZ2 3.67Å; F156-W205 HydrophobicContact CD1-CH2 4.07Å; F156-W205 AromaticContact CD1-CZ2 3.76Å; F156-W205 HydrophobicContact CD1-CZ2 3.76Å; F156-W205 HydrophobicContact CD2-CD2 4.11Å; F156-W205 AromaticContact CD2-CE3 3.98Å; F156-W205 HydrophobicContact CD2-CE3 3.98Å; F156-W205 AromaticContact CD2-CH2 3.83Å; F156-W205 HydrophobicContact CD2-CH2 3.83Å; F156-W205 AromaticContact CD2-CZ2 3.93Å; F156-W205 HydrophobicContact CD2-CZ2 3.93Å; F156-W205 AromaticContact CD2-CZ3 3.88Å; F156-W205 HydrophobicContact CD2-CZ3 3.88Å; F156-W205 HydrophobicContact CE1-CH2 4.25Å; F156-W205 HydrophobicContact CE1-CZ2 4.37Å; F156-W205 HydrophobicContact CE2-CH2 4.06Å; F156-W205 HydrophobicContact CE2-CZ3 4.11Å; F156-W205 HydrophobicContact CG-CD2 4.17Å; F156-W205 AromaticContact CG-CE2 3.7Å; F156-W205 HydrophobicContact CG-CE3 4.44Å; F156-W205 AromaticContact CG-CH2 3.86Å; F156-W205 HydrophobicContact CG-CH2 3.86Å; F156-W205 AromaticContact CG-CZ2 3.52Å; F156-W205 HydrophobicContact CG-CZ2 3.52Å; F156-W205 HydrophobicContact CG-CZ3 4.33Å; F156-W205 HydrophobicContact CZ-CH2 4.26Å; F156-W205 PolarHBondContact N-O 2.87Å; F156-W205 PolarHBondContact O-N 3Å; F156-W205 VanDerWaalsContact O-N 3.08Å; F156-I207 HydrophobicContact CD2-CG1 4.44Å; F156-I207 HydrophobicContact CE2-CB 4.26Å; F156-I207 HydrophobicContact CE2-CD1 3.7Å; F156-I207 HydrophobicContact CE2-CG1 3.72Å; F156-I207 HydrophobicContact CZ-CD1 3.83Å; F156-I207 HydrophobicContact CZ-CG1 4.37Å |
| 157 | K | 91.4 | Very high | 81.9 | Confident | 42 Ų | 42 | 66.3 Ų | 66.3 | 18% | 0.183 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 118.5 | 169.3 | -176.3 | -168.7 | 179.3 | -161.8 | 0 | 108.6 | G159 Q160 L162 G199 D200 D201 R203 F204 | K157-G159 PolarHBondContact O-N 2.93Å; K157-Q160 PolarHBondContact N-O 2.76Å; K157-Q160 WeakPolarHBondContact O-CB 3.47Å; K157-Q160 PolarHBondContact O-N 2.78Å; K157-L162 HydrophobicContact CB-CD1 3.76Å; K157-L162 HydrophobicContact CB-CD2 3.92Å; K157-L162 HydrophobicContact CB-CG 3.96Å; K157-G199 PolarHBondContact NZ-O 2.78Å; K157-D200 WeakPolarHBondContact CE-O 3.19Å; K157-D201 WeakPolarHBondContact CE-O 3.35Å; K157-D201 PolarHBondContact NZ-O 3.25Å; K157-D201 VanDerWaalsContact NZ-O 3.14Å; K157-R203 WeakPolarHBondContact CA-O 3.32Å; K157-F204 HydrophobicContact CB-CD1 4.14Å; K157-F204 HydrophobicContact CB-CE1 3.9Å; K157-F204 HydrophobicContact CB-CZ 4.35Å; K157-F204 HydrophobicContact CD-CE1 3.99Å; K157-F204 HydrophobicContact CD-CE2 4.39Å; K157-F204 HydrophobicContact CD-CZ 3.69Å; K157-F204 HydrophobicContact CG-CD1 4.3Å; K157-F204 HydrophobicContact CG-CE1 3.82Å; K157-F204 HydrophobicContact CG-CE2 4.16Å; K157-F204 HydrophobicContact CG-CZ 3.74Å |
| 158 | D | 90 | Very high | 82.3 | Confident | 83 Ų | 83 | 67.6 Ų | 67.6 | 44% | 0.444 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 30.8 | 177.8 | -60.9 | -51.3 | 0 | 0 | 0 | 114.6 | G202 R203 | D158-G202 WeakPolarHBondContact OD2-CA 3.32Å; D158-R203 PolarHBondContact N-O 2.85Å; D158-R203 PolarHBondContact OD1-N 2.92Å; D158-R203 IonicContact OD1-NE 3.4Å |
| 159 | G | 86.3 | Confident | 82.7 | Confident | 55 Ų | 55 | 65.7 Ų | 65.7 | 57% | 0.567 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.9 | -12.6 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | K157 | K157-G159 PolarHBondContact O-N 2.93Š|
| 160 | Q | 88.9 | Confident | 83 | Confident | 145 Ų | 145 | 57.8 Ų | 57.8 | 68% | 0.678 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 136.8 | 174.1 | -169.3 | 176.8 | 16.9 | 0 | 0 | 111 | F156 K157 | F156-Q160 CarbonylContact C-O 3.46Å; F156-Q160 WeakPolarHBondContact CA-O 3.23Å; K157-Q160 PolarHBondContact N-O 2.76Å; K157-Q160 WeakPolarHBondContact O-CB 3.47Å; K157-Q160 PolarHBondContact O-N 2.78Å |
| 161 | T | 89.6 | Confident | 83.2 | Confident | 101 Ų | 101 | 58.5 Ų | 58.5 | 62% | 0.62 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 128.2 | 175 | 52.7 | 0 | 0 | 0 | 0 | 110.7 | F156 | F156-T161 HydrophobicContact CD1-CG2 3.89Å; F156-T161 HydrophobicContact CE1-CG2 3.48Å; F156-T161 VanDerWaalsContact CE1-CG2 3.48Å; F156-T161 HydrophobicContact CZ-CG2 4.31Å |
| 162 | L | 87.9 | Confident | 83.3 | Confident | 45 Ų | 45 | 52.2 Ų | 52.2 | 24% | 0.236 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | -37.5 | 174.6 | -65.3 | 175.8 | 0 | 0 | 0 | 112.3 | W155 K157 L171 L173 L191 F204 | W155-L162 HydrophobicContact CB-CB 4.24Å; W155-L162 HydrophobicContact CB-CD1 4.46Å; W155-L162 PolarHBondContact O-N 3.4Å; K157-L162 HydrophobicContact CB-CD1 3.76Å; K157-L162 HydrophobicContact CB-CD2 3.92Å; K157-L162 HydrophobicContact CB-CG 3.96Å; L162-L171 HydrophobicContact CB-CD2 4.16Å; L162-L173 HydrophobicContact CB-CD2 4.35Å; L162-L173 HydrophobicContact CD1-CD1 3.79Å; L162-L173 HydrophobicContact CD2-CD1 3.95Å; L162-L173 HydrophobicContact CD2-CD2 4.5Å; L162-L173 HydrophobicContact CG-CD1 4.35Å; L162-L191 HydrophobicContact CD1-CD2 3.89Å; L162-F204 HydrophobicContact CD1-CD1 3.87Å; L162-F204 HydrophobicContact CD1-CE1 3.78Å |
| 163 | G | 85.7 | Confident | 82.8 | Confident | 30 Ų | 30 | 51.2 Ų | 51.2 | 31% | 0.309 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 150.1 | -171.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | W155 | W155-G163 PolarHBondContact N-O 3.35Å |
| 164 | S | 84 | Confident | 82.1 | Confident | 73 Ų | 73 | 55.8 Ų | 55.8 | 51% | 0.51 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 146.7 | 176.8 | 52.6 | 0 | 0 | 0 | 0 | 111.6 | A153 | A153-S164 CarbonylContact O-C 3.55Å; A153-S164 WeakPolarHBondContact O-CA 3.13Å |
| 165 | S | 81.8 | Confident | 80.7 | Confident | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.014 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 152.3 | 171.5 | 61.6 | 0 | 0 | 0 | 0 | 109.5 | S152 A153 W155 Q169 G189 | S152-S165 CarbonylContact C-O 3.56Å; S152-S165 WeakPolarHBondContact CA-O 3.37Å; A153-S165 PolarHBondContact N-O 3.19Å; A153-S165 PolarHBondContact O-N 2.91Å; A153-S165 PolarHBondContact O-OG 2.83Å; W155-S165 PolarHBondContact NE1-OG 2.72Å; S165-Q169 CarbonylContact C-O 3.58Å; S165-Q169 WeakPolarHBondContact CA-O 3.5Å; S165-G189 VanDerWaalsContact OG-C 3.23Å; S165-G189 VanDerWaalsContact OG-CA 3.25Å; S165-G189 WeakPolarHBondContact OG-CA 3.23Å; S165-G189 PolarHBondContact OG-O 3.38Å |
| 166 | S | 76.7 | Confident | 79.3 | Confident | 23 Ų | 23 | 66.8 Ų | 66.8 | 16% | 0.161 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 177.9 | 177.5 | 73.8 | 0 | 0 | 0 | 0 | 110.1 | Q168 Q169 G189 | S166-Q168 PolarHBondContact O-N 3Å; S166-Q168 PolarHBondContact OG-N 2.85Å; S166-Q168 VanDerWaalsContact OG-N 3.16Å; S166-Q169 PolarHBondContact N-O 2.86Å; S166-Q169 PolarHBondContact O-N 2.86Å; S166-Q169 PolarHBondContact OG-N 2.91Å; S166-G189 PolarHBondContact O-N 2.96Å |
| 167 | A | 69.1 | Low | 77.8 | Confident | 55 Ų | 55 | 68.5 Ų | 68.5 | 46% | 0.455 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -61.7 | -19.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 168 | Q | 69 | Low | 76.4 | Confident | 160 Ų | 160 | 69.4 Ų | 69.4 | 75% | 0.748 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -101.7 | -14.4 | -178.5 | -67 | 171.8 | -24.9 | 0 | 0 | 112.8 | S166 P180 V181 | S166-Q168 PolarHBondContact O-N 3Å; S166-Q168 PolarHBondContact OG-N 2.85Å; S166-Q168 VanDerWaalsContact OG-N 3.16Å; Q168-P180 VanDerWaalsContact O-CA 3.29Å; Q168-P180 WeakPolarHBondContact O-CA 3.49Å; Q168-V181 PolarHBondContact O-N 3.33Å; Q168-V181 VanDerWaalsContact O-N 3.12Å |
| 169 | Q | 74 | Confident | 75.1 | Confident | 82 Ų | 82 | 68.5 Ų | 68.5 | 38% | 0.383 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 109.5 | -165.3 | -169.4 | -179.9 | 19.1 | 0 | 0 | 110.6 | S165 S166 S178 | S165-Q169 CarbonylContact C-O 3.58Å; S165-Q169 WeakPolarHBondContact CA-O 3.5Å; S166-Q169 PolarHBondContact N-O 2.86Å; S166-Q169 PolarHBondContact O-N 2.86Å; S166-Q169 PolarHBondContact OG-N 2.91Å; Q169-S178 VanDerWaalsContact CG-CB 3.46Å; Q169-S178 PolarHBondContact NE2-OG 2.89Å |
| 170 | N | 76.4 | Confident | 73.9 | Confident | 13 Ų | 13 | 70.7 Ų | 70.7 | 7% | 0.07 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 146.4 | 172.2 | -72 | -24.9 | 0 | 0 | 0 | 110.3 | S178 V179 V181 L190 | N170-S178 WeakPolarHBondContact O-CA 3.21Å; N170-V179 PolarHBondContact N-O 3.12Å; N170-V179 VanDerWaalsContact N-O 3.16Å; N170-V179 PolarHBondContact O-N 2.91Å; N170-V181 HydrophobicContact CB-CG2 4.42Å; N170-L190 WeakPolarHBondContact OD1-CB 3.32Å; N170-L190 PolarHBondContact OD1-N 3.1Å |
| 171 | L | 79.3 | Confident | 72.7 | Confident | 22 Ų | 22 | 64.7 Ų | 64.7 | 12% | 0.115 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 113.8 | 173.5 | -179 | 60.5 | 0 | 0 | 0 | 108.9 | W155 L162 L173 L190 L191 Q192 | W155-L171 HydrophobicContact CB-CD2 4.15Å; W155-L171 HydrophobicContact CG-CD2 4.46Å; L162-L171 HydrophobicContact CB-CD2 4.16Å; L171-L173 HydrophobicContact CG-CD2 4.32Å; L171-L190 PolarHBondContact N-O 3.25Å; L171-L191 HydrophobicContact CB-CD1 4.2Å; L171-L191 HydrophobicContact CD2-CD1 3.92Å; L171-L191 HydrophobicContact CG-CD1 3.92Å; L171-L191 CarbonylContact O-C 3.55Å; L171-L191 WeakPolarHBondContact O-CA 3.34Å; L171-Q192 PolarHBondContact O-N 2.86Å |
| 172 | I | 78.6 | Confident | 71.5 | Confident | 15 Ų | 15 | 64 Ų | 64 | 8% | 0.077 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 113.3 | 177.1 | -46.7 | -167.8 | 0 | 0 | 0 | 110.1 | F175 T177 V179 Q192 V194 | I172-F175 HydrophobicContact CG2-CD2 3.72Å; I172-F175 HydrophobicContact CG2-CE2 4.48Å; I172-T177 WeakPolarHBondContact CB-O 3.09Å; I172-T177 PolarHBondContact N-O 3.3Å; I172-V179 HydrophobicContact CD1-CB 3.81Å; I172-V179 HydrophobicContact CD1-CG2 3.38Å; I172-V179 HydrophobicContact CG1-CG2 4.23Å; I172-Q192 WeakPolarHBondContact CA-O 3.17Å; I172-Q192 HydrophobicContact CG1-CB 4.21Å; I172-Q192 HydrophobicContact CG2-CB 4.27Å; I172-V194 HydrophobicContact CG2-CG2 3.64Å |
| 173 | L | 73.5 | Confident | 70.3 | Confident | 41 Ų | 41 | 69.8 Ų | 69.8 | 22% | 0.215 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 147.9 | 176 | -60.8 | -171.9 | 0 | 0 | 0 | 111.3 | L162 L171 F175 L191 Q192 L193 | L162-L173 HydrophobicContact CB-CD2 4.35Å; L162-L173 HydrophobicContact CD1-CD1 3.79Å; L162-L173 HydrophobicContact CD2-CD1 3.95Å; L162-L173 HydrophobicContact CD2-CD2 4.5Å; L162-L173 HydrophobicContact CG-CD1 4.35Å; L171-L173 HydrophobicContact CG-CD2 4.32Å; L173-F175 VanDerWaalsContact C-N 3.29Å; L173-F175 PolarHBondContact O-N 3.24Å; L173-L191 HydrophobicContact CD1-CD1 4.07Å; L173-L191 HydrophobicContact CD2-CD1 4.33Å; L173-L191 HydrophobicContact CG-CD1 3.78Å; L173-Q192 PolarHBondContact N-O 2.8Å; L173-L193 HydrophobicContact CB-CD2 4.16Å; L173-L193 HydrophobicContact CD1-CD2 3.36Å; L173-L193 HydrophobicContact CG-CD2 3.94Å |
| 174 | R | 72.1 | Confident | 69.3 | Low | 95 Ų | 95 | 75.6 Ų | 75.6 | 36% | 0.358 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | -24.7 | -176.6 | -56.5 | -170.2 | -178.2 | -177.9 | 5.5 | 118.2 | N176 V194 G195 D200 | R174-N176 VanDerWaalsContact C-N 3.28Å; R174-V194 VanDerWaalsContact CD-O 3.32Å; R174-V194 WeakPolarHBondContact CD-O 3.34Å; R174-G195 PolarHBondContact NH1-O 3.09Å; R174-G195 PolarHBondContact NH2-O 3.02Å; R174-D200 IonicContact CZ-OD2 3.54Å; R174-D200 IonicContact NE-OD2 3.8Å; R174-D200 IonicContact NH2-OD1 3.52Å; R174-D200 IonicContact NH2-OD2 2.59Å; R174-D200 PolarHBondContact NH2-OD2 2.79Å |
| 175 | F | 59.2 | Low | 68 | Low | 130 Ų | 130 | 74.9 Ų | 74.9 | 57% | 0.57 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -16 | 164.4 | -64.1 | -75.8 | 0 | 0 | 0 | 111.1 | I172 L173 T177 V194 | I172-F175 HydrophobicContact CG2-CD2 3.72Å; I172-F175 HydrophobicContact CG2-CE2 4.48Å; L173-F175 VanDerWaalsContact C-N 3.29Å; L173-F175 PolarHBondContact O-N 3.24Å; F175-T177 HydrophobicContact CB-CG2 4.01Å; F175-T177 WeakPolarHBondContact CB-OG1 3.34Å; F175-T177 WeakPolarHBondContact O-CG2 3.41Å; F175-T177 PolarHBondContact O-N 3.35Å; F175-V194 HydrophobicContact CD2-CB 4.35Å; F175-V194 HydrophobicContact CD2-CG2 4.45Å; F175-V194 HydrophobicContact CE2-CB 3.71Å; F175-V194 HydrophobicContact CE2-CG1 3.66Å; F175-V194 HydrophobicContact CE2-CG2 4.04Å; F175-V194 HydrophobicContact CZ-CG1 4.27Å |
| 176 | N | 60.4 | Low | 66.7 | Low | 162 Ų | 162 | 80.6 Ų | 80.6 | 87% | 0.866 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.4 | 29.2 | -167.5 | -161.7 | 33.4 | 0 | 0 | 0 | 111 | R174 | R174-N176 VanDerWaalsContact C-N 3.28Š|
| 177 | T | 60 | Low | 65.9 | Low | 64 Ų | 64 | 84.1 Ų | 84.1 | 39% | 0.393 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 141.2 | -178.4 | 55.8 | 0 | 0 | 0 | 0 | 108.4 | I172 F175 | I172-T177 WeakPolarHBondContact CB-O 3.09Å; I172-T177 PolarHBondContact N-O 3.3Å; F175-T177 HydrophobicContact CB-CG2 4.01Å; F175-T177 WeakPolarHBondContact CB-OG1 3.34Å; F175-T177 WeakPolarHBondContact O-CG2 3.41Å; F175-T177 PolarHBondContact O-N 3.35Å |
| 178 | S | 60.9 | Low | 65.6 | Low | 62 Ų | 62 | 84.4 Ų | 84.4 | 43% | 0.434 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 115.3 | 167.4 | 63.5 | 0 | 0 | 0 | 0 | 107.4 | Q169 N170 | Q169-S178 VanDerWaalsContact CG-CB 3.46Å; Q169-S178 PolarHBondContact NE2-OG 2.89Å; N170-S178 WeakPolarHBondContact O-CA 3.21Å |
| 179 | V | 63.6 | Low | 65.5 | Low | 63 Ų | 63 | 76.9 Ų | 76.9 | 38% | 0.382 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 129.7 | -175.7 | 179.7 | 0 | 0 | 0 | 0 | 108.5 | N170 I172 | N170-V179 PolarHBondContact N-O 3.12Å; N170-V179 VanDerWaalsContact N-O 3.16Å; N170-V179 PolarHBondContact O-N 2.91Å; I172-V179 HydrophobicContact CD1-CB 3.81Å; I172-V179 HydrophobicContact CD1-CG2 3.38Å; I172-V179 HydrophobicContact CG1-CG2 4.23Å |
| 180 | P | 61.7 | Low | 65.8 | Low | 101 Ų | 101 | 73.5 Ų | 73.5 | 66% | 0.656 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 139.4 | 176.4 | 23.1 | -30.2 | 0 | 0 | 0 | 110.9 | Q168 | Q168-P180 VanDerWaalsContact O-CA 3.29Å; Q168-P180 WeakPolarHBondContact O-CA 3.49Å |
| 181 | V | 62.2 | Low | 66.4 | Low | 19 Ų | 19 | 72.9 Ų | 72.9 | 12% | 0.115 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -82.7 | 127.9 | -180 | -174 | 0 | 0 | 0 | 0 | 108.9 | Q168 N170 D183 V185 | Q168-V181 PolarHBondContact O-N 3.33Å; Q168-V181 VanDerWaalsContact O-N 3.12Å; N170-V181 HydrophobicContact CB-CG2 4.42Å; V181-D183 PolarHBondContact O-N 2.91Å; V181-V185 WeakPolarHBondContact CG1-O 3.47Å |
| 182 | P | 66.2 | Low | 66.8 | Low | 88 Ų | 88 | 74.4 Ų | 74.4 | 57% | 0.571 | 41% | 0.408 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 135.5 | 172.6 | -21.8 | 32.6 | 0 | 0 | 0 | 110.8 | D184 V185 | P182-D184 PolarHBondContact O-N 3.12Å; P182-V185 PolarHBondContact O-N 2.77Å; P182-V185 VanDerWaalsContact O-N 3.11Å |
| 183 | D | 62.3 | Low | 67.2 | Low | 166 Ų | 166 | 74 Ų | 74 | 89% | 0.888 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -22.2 | -174.1 | -67 | -47.3 | 0 | 0 | 0 | 113.6 | V181 V185 | V181-D183 PolarHBondContact O-N 2.91Å; D183-V185 PolarHBondContact O-N 2.75Å |
| 184 | D | 63.4 | Low | 67.8 | Low | 152 Ų | 152 | 74.1 Ų | 74.1 | 81% | 0.813 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -6.2 | -178.8 | -56.2 | -38.1 | 0 | 0 | 0 | 114 | P182 | P182-D184 PolarHBondContact O-N 3.12Š|
| 185 | V | 57.2 | Low | 68.4 | Low | 57 Ų | 57 | 70.9 Ų | 70.9 | 35% | 0.345 | 40% | 0.404 | S | S | . | . | trans | -132.5 | 101.3 | -176.3 | -174.1 | 0 | 0 | 0 | 0 | 110.5 | V181 P182 D183 Q187 | V181-V185 WeakPolarHBondContact CG1-O 3.47Å; P182-V185 PolarHBondContact O-N 2.77Å; P182-V185 VanDerWaalsContact O-N 3.11Å; D183-V185 PolarHBondContact O-N 2.75Å; V185-Q187 HydrophobicContact CG1-CB 4.04Å; V185-Q187 HydrophobicContact CG1-CG 3.49Å; V185-Q187 VanDerWaalsContact CG1-CG 3.49Å; V185-Q187 PolarHBondContact O-N 2.86Å | ||
| 186 | P | 54.2 | Low | 69.8 | Low | 123 Ų | 123 | 64.7 Ų | 64.7 | 80% | 0.799 | 38% | 0.377 | S | S | * | . | trans | -79.4 | 68 | 177.2 | 33.6 | -32.9 | 0 | 0 | 0 | 109.6 | I188 | P186-I188 PolarHBondContact O-N 2.97Š| ||
| 187 | Q | 60.6 | Low | 71.2 | Confident | 96 Ų | 96 | 64.6 Ų | 64.6 | 45% | 0.449 | 37% | 0.365 | S | S | . | . | trans | -92.3 | 94.9 | 172.9 | -83.9 | 171 | 10.2 | 0 | 0 | 108.6 | V185 G189 L190 | V185-Q187 HydrophobicContact CG1-CB 4.04Å; V185-Q187 HydrophobicContact CG1-CG 3.49Å; V185-Q187 VanDerWaalsContact CG1-CG 3.49Å; V185-Q187 PolarHBondContact O-N 2.86Å; Q187-G189 PolarHBondContact O-N 3.48Å; Q187-G189 VanDerWaalsContact O-N 3.13Å; Q187-L190 HydrophobicContact CB-CD1 3.69Å; Q187-L190 HydrophobicContact CB-CG 4.02Å; Q187-L190 HydrophobicContact CG-CD1 4.03Å | ||
| 188 | I | 61.7 | Low | 72.4 | Confident | 62 Ų | 62 | 65.1 Ų | 65.1 | 32% | 0.318 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | 113.2 | 179.2 | -59.2 | 173.2 | 0 | 0 | 0 | 109.6 | C150 P186 | C150-I188 HydrophobicContact CB-CG2 3.81Å; C150-I188 WeakPolarHBondContact O-CG2 3.5Å; P186-I188 PolarHBondContact O-N 2.97Å |
| 189 | G | 68 | Low | 73.6 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.01 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 62 | 161.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | W155 S165 S166 Q187 | W155-G189 WeakPolarHBondContact CZ2-O 3.38Å; S165-G189 VanDerWaalsContact OG-C 3.23Å; S165-G189 VanDerWaalsContact OG-CA 3.25Å; S165-G189 WeakPolarHBondContact OG-CA 3.23Å; S165-G189 PolarHBondContact OG-O 3.38Å; S166-G189 PolarHBondContact O-N 2.96Å; Q187-G189 PolarHBondContact O-N 3.48Å; Q187-G189 VanDerWaalsContact O-N 3.13Å |
| 190 | L | 81.1 | Confident | 74.8 | Confident | 12 Ų | 12 | 63.7 Ų | 63.7 | 6% | 0.063 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 141.4 | 176.7 | -64.3 | 177 | 0 | 0 | 0 | 112.8 | L139 N170 L171 Q187 | L139-L190 WeakPolarHBondContact O-CA 3.38Å; L139-L190 WeakPolarHBondContact O-CD2 3.43Å; N170-L190 WeakPolarHBondContact OD1-CB 3.32Å; N170-L190 PolarHBondContact OD1-N 3.1Å; L171-L190 PolarHBondContact N-O 3.25Å; Q187-L190 HydrophobicContact CB-CD1 3.69Å; Q187-L190 HydrophobicContact CB-CG 4.02Å; Q187-L190 HydrophobicContact CG-CD1 4.03Å |
| 191 | L | 87.3 | Confident | 76.3 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 117.6 | 161.5 | 170.4 | 63.1 | 0 | 0 | 0 | 109 | S138 L139 W155 L162 L171 L173 L193 F204 | S138-L191 CarbonylContact C-O 3.59Å; S138-L191 WeakPolarHBondContact CA-O 3.44Å; L139-L191 HydrophobicContact CB-CB 4.35Å; L139-L191 HydrophobicContact CD1-CD2 4.27Å; L139-L191 PolarHBondContact N-O 2.92Å; L139-L191 PolarHBondContact O-N 3.34Å; W155-L191 HydrophobicContact CB-CD2 4.24Å; W155-L191 HydrophobicContact CD2-CB 3.56Å; W155-L191 HydrophobicContact CD2-CD2 3.75Å; W155-L191 HydrophobicContact CD2-CG 4.25Å; W155-L191 VanDerWaalsContact CE2-CB 3.42Å; W155-L191 HydrophobicContact CE3-CB 4.01Å; W155-L191 HydrophobicContact CE3-CD2 3.57Å; W155-L191 HydrophobicContact CE3-CG 4.45Å; W155-L191 HydrophobicContact CG-CB 3.96Å; W155-L191 HydrophobicContact CG-CD2 4.06Å; W155-L191 HydrophobicContact CG-CG 4.47Å; W155-L191 HydrophobicContact CH2-CB 4.18Å; W155-L191 HydrophobicContact CZ2-CB 3.75Å; W155-L191 HydrophobicContact CZ3-CB 4.29Å; W155-L191 HydrophobicContact CZ3-CD2 4.16Å; L162-L191 HydrophobicContact CD1-CD2 3.89Å; L171-L191 HydrophobicContact CB-CD1 4.2Å; L171-L191 HydrophobicContact CD2-CD1 3.92Å; L171-L191 HydrophobicContact CG-CD1 3.92Å; L171-L191 CarbonylContact O-C 3.55Å; L171-L191 WeakPolarHBondContact O-CA 3.34Å; L173-L191 HydrophobicContact CD1-CD1 4.07Å; L173-L191 HydrophobicContact CD2-CD1 4.33Å; L173-L191 HydrophobicContact CG-CD1 3.78Å; L191-L193 HydrophobicContact CD1-CD2 4.28Å; L191-L193 HydrophobicContact CD2-CD2 4.35Å; L191-L193 HydrophobicContact CG-CD2 4.19Å; L191-F204 HydrophobicContact CD2-CD1 3.69Å; L191-F204 HydrophobicContact CD2-CE1 4.19Å |
| 192 | Q | 87.6 | Confident | 77.7 | Confident | 54 Ų | 54 | 61.5 Ų | 61.5 | 25% | 0.252 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 120.7 | 175.3 | -60.5 | -168.6 | -51.3 | 0 | 0 | 110.6 | V137 S138 L171 I172 L173 | V137-Q192 WeakPolarHBondContact O-CA 3.42Å; S138-Q192 PolarHBondContact OG-NE2 3.39Å; L171-Q192 PolarHBondContact O-N 2.86Å; I172-Q192 WeakPolarHBondContact CA-O 3.17Å; I172-Q192 HydrophobicContact CG1-CB 4.21Å; I172-Q192 HydrophobicContact CG2-CB 4.27Å; L173-Q192 PolarHBondContact N-O 2.8Å |
| 193 | L | 87.4 | Confident | 79 | Confident | 5 Ų | 5 | 63.1 Ų | 63.1 | 3% | 0.026 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 115 | 172.4 | -53.6 | 176.4 | 0 | 0 | 0 | 107.3 | S136 V137 L173 L191 L196 F204 V218 | S136-L193 CarbonylContact C-O 3.51Å; S136-L193 WeakPolarHBondContact CA-O 3.4Å; S136-L193 WeakPolarHBondContact CB-O 3.28Å; V137-L193 PolarHBondContact N-O 3.36Å; V137-L193 PolarHBondContact O-N 3.04Å; L173-L193 HydrophobicContact CB-CD2 4.16Å; L173-L193 HydrophobicContact CD1-CD2 3.36Å; L173-L193 HydrophobicContact CG-CD2 3.94Å; L191-L193 HydrophobicContact CD1-CD2 4.28Å; L191-L193 HydrophobicContact CD2-CD2 4.35Å; L191-L193 HydrophobicContact CG-CD2 4.19Å; L193-L196 HydrophobicContact CB-CD2 3.55Å; L193-L196 HydrophobicContact CB-CG 4.5Å; L193-L196 HydrophobicContact CD1-CD2 4.06Å; L193-L196 HydrophobicContact CG-CD2 4.43Å; L193-F204 HydrophobicContact CD1-CE1 4.07Å; L193-F204 HydrophobicContact CD1-CE2 4.29Å; L193-F204 HydrophobicContact CD1-CZ 3.85Å; L193-F204 HydrophobicContact CD2-CE1 3.95Å; L193-F204 HydrophobicContact CD2-CZ 4.3Å; L193-V218 HydrophobicContact CD1-CG2 4.46Å |
| 194 | V | 86.5 | Confident | 80.4 | Confident | 45 Ų | 45 | 55.4 Ų | 55.4 | 27% | 0.273 | 30% | 0.298 | S | S | . | . | trans | -109.7 | 135.5 | -176.9 | -173.9 | 0 | 0 | 0 | 0 | 111.6 | I172 R174 F175 | I172-V194 HydrophobicContact CG2-CG2 3.64Å; R174-V194 VanDerWaalsContact CD-O 3.32Å; R174-V194 WeakPolarHBondContact CD-O 3.34Å; F175-V194 HydrophobicContact CD2-CB 4.35Å; F175-V194 HydrophobicContact CD2-CG2 4.45Å; F175-V194 HydrophobicContact CE2-CB 3.71Å; F175-V194 HydrophobicContact CE2-CG1 3.66Å; F175-V194 HydrophobicContact CE2-CG2 4.04Å; F175-V194 HydrophobicContact CZ-CG1 4.27Å | ||
| 195 | G | 85.2 | Confident | 81.7 | Confident | 26 Ų | 26 | 50.9 Ų | 50.9 | 27% | 0.268 | 27% | 0.27 | S | S | . | . | S | Bend | trans | 69.5 | 41.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | T135 R174 R197 | T135-G195 CarbonylContact O-C 3.55Å; T135-G195 WeakPolarHBondContact O-CA 3.39Å; T135-G195 PolarHBondContact O-N 2.9Å; T135-G195 VanDerWaalsContact O-N 3.1Å; R174-G195 PolarHBondContact NH1-O 3.09Å; R174-G195 PolarHBondContact NH2-O 3.02Å; G195-R197 PolarHBondContact O-N 3.01Å |
| 196 | L | 88.9 | Confident | 83.2 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | trans | -41.1 | 134.5 | -169.5 | -68.2 | 169.2 | 0 | 0 | 0 | 114.6 | A131 Q133 S134 T135 V137 L193 D200 I220 | A131-L196 HydrophobicContact CB-CD1 3.5Å; Q133-L196 WeakPolarHBondContact CG-O 3.22Å; S134-L196 PolarHBondContact N-O 2.96Å; T135-L196 WeakPolarHBondContact O-CG 3.34Å; T135-L196 PolarHBondContact O-N 2.75Å; V137-L196 HydrophobicContact CB-CD1 4.24Å; V137-L196 HydrophobicContact CG2-CD1 3.69Å; L193-L196 HydrophobicContact CB-CD2 3.55Å; L193-L196 HydrophobicContact CB-CG 4.5Å; L193-L196 HydrophobicContact CD1-CD2 4.06Å; L193-L196 HydrophobicContact CG-CD2 4.43Å; L196-D200 VanDerWaalsContact CA-OD2 3.32Å; L196-D200 WeakPolarHBondContact CA-OD2 3.4Å; L196-D200 HydrophobicContact CD2-CB 4.04Å; L196-I220 HydrophobicContact CB-CD1 3.88Å; L196-I220 HydrophobicContact CD1-CD1 3.86Å; L196-I220 HydrophobicContact CD2-CD1 3.95Å; L196-I220 HydrophobicContact CG-CD1 4.11Å | ||
| 197 | R | 89.7 | Confident | 84.8 | Confident | 160 Ų | 160 | 44.8 Ų | 44.8 | 60% | 0.604 | 23% | 0.228 | S | C | * | . | trans | -118.6 | 157.9 | 176.4 | -71.8 | 164.2 | -164.5 | -179.9 | 4.5 | 108.5 | G195 G199 D200 I220 | G195-R197 PolarHBondContact O-N 3.01Å; R197-G199 PolarHBondContact O-N 2.93Å; R197-D200 PolarHBondContact N-OD2 3.48Å; R197-D200 WeakPolarHBondContact O-CB 3.29Å; R197-D200 PolarHBondContact O-N 2.82Å; R197-I220 WeakPolarHBondContact O-CG1 3.3Å | ||
| 198 | K | 85 | Confident | 86.1 | Confident | 74 Ų | 74 | 40.4 Ų | 40.4 | 32% | 0.322 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -48.1 | -34.4 | 178.5 | -60.1 | -176.6 | -177.5 | -177.2 | 0 | 113.8 | D200 Y222 D224 | K198-D200 VanDerWaalsContact C-N 3.29Å; K198-D200 PolarHBondContact O-N 3.09Å; K198-Y222 HydrophobicContact CD-CD1 4.13Å; K198-Y222 HydrophobicContact CD-CD2 4.47Å; K198-Y222 HydrophobicContact CD-CE1 3.91Å; K198-Y222 HydrophobicContact CD-CE2 4.29Å; K198-Y222 HydrophobicContact CD-CG 4.4Å; K198-Y222 VanDerWaalsContact CE-CE2 3.47Å; K198-Y222 HydrophobicContact CG-CD1 4.05Å; K198-Y222 HydrophobicContact CG-CE1 4.14Å; K198-D224 IonicContact NZ-OD1 3.78Å; K198-D224 PolarHBondContact NZ-OD1 3.16Å; K198-D224 IonicContact NZ-OD2 2.72Å; K198-D224 PolarHBondContact NZ-OD2 3.45Å |
| 199 | G | 85.5 | Confident | 87 | Confident | 60 Ų | 60 | 41.7 Ų | 41.7 | 62% | 0.619 | 22% | 0.216 | S | C | * | . | G | 310 helix | trans | -74.4 | -6.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | K157 R197 D201 | K157-G199 PolarHBondContact NZ-O 2.78Å; R197-G199 PolarHBondContact O-N 2.93Å; G199-D201 PolarHBondContact O-N 2.91Å |
| 200 | D | 89.9 | Confident | 87.6 | Confident | 35 Ų | 35 | 44.9 Ų | 44.9 | 19% | 0.187 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -79.2 | -7.7 | 176.8 | -62.8 | -28.1 | 0 | 0 | 0 | 112.9 | K157 R174 L196 R197 K198 G202 I220 | K157-D200 WeakPolarHBondContact CE-O 3.19Å; R174-D200 IonicContact CZ-OD2 3.54Å; R174-D200 IonicContact NE-OD2 3.8Å; R174-D200 IonicContact NH2-OD1 3.52Å; R174-D200 IonicContact NH2-OD2 2.59Å; R174-D200 PolarHBondContact NH2-OD2 2.79Å; L196-D200 VanDerWaalsContact CA-OD2 3.32Å; L196-D200 WeakPolarHBondContact CA-OD2 3.4Å; L196-D200 HydrophobicContact CD2-CB 4.04Å; R197-D200 PolarHBondContact N-OD2 3.48Å; R197-D200 WeakPolarHBondContact O-CB 3.29Å; R197-D200 PolarHBondContact O-N 2.82Å; K198-D200 VanDerWaalsContact C-N 3.29Å; K198-D200 PolarHBondContact O-N 3.09Å; D200-G202 PolarHBondContact O-N 2.99Å; D200-I220 HydrophobicContact CB-CD1 4.47Å; D200-I220 HydrophobicContact CB-CG1 4.35Å |
| 201 | D | 91.5 | Very high | 87.8 | Confident | 66 Ų | 66 | 47 Ų | 47 | 35% | 0.353 | 26% | 0.262 | S | S | . | . | trans | -47.2 | 135 | 169.2 | -78.3 | -12.7 | 0 | 0 | 0 | 110.9 | K157 G199 R219 I220 | K157-D201 WeakPolarHBondContact CE-O 3.35Å; K157-D201 PolarHBondContact NZ-O 3.25Å; K157-D201 VanDerWaalsContact NZ-O 3.14Å; G199-D201 PolarHBondContact O-N 2.91Å; D201-R219 VanDerWaalsContact OD1-CA 3.27Å; D201-R219 WeakPolarHBondContact OD1-CA 3.42Å; D201-I220 WeakPolarHBondContact OD1-CG1 3.14Å; D201-I220 PolarHBondContact OD1-N 3.37Å | ||
| 202 | G | 92.3 | Very high | 87.7 | Confident | 8 Ų | 8 | 50 Ų | 50 | 8% | 0.082 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.8 | 172.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | D158 D200 F204 R217 V218 | D158-G202 WeakPolarHBondContact OD2-CA 3.32Å; D200-G202 PolarHBondContact O-N 2.99Å; G202-F204 WeakPolarHBondContact O-CD2 3.42Å; G202-R217 WeakPolarHBondContact O-CA 3.48Å; G202-V218 PolarHBondContact N-O 2.77Å; G202-V218 PolarHBondContact O-N 3.33Å |
| 203 | R | 93.5 | Very high | 87.6 | Confident | 123 Ų | 123 | 47.6 Ų | 47.6 | 46% | 0.464 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 115.8 | 173.4 | -67.9 | 177.8 | -65.9 | 176.2 | 0.3 | 110 | K157 D158 V215 R217 | K157-R203 WeakPolarHBondContact CA-O 3.32Å; D158-R203 PolarHBondContact N-O 2.85Å; D158-R203 PolarHBondContact OD1-N 2.92Å; D158-R203 IonicContact OD1-NE 3.4Å; R203-V215 HydrophobicContact CB-CG1 4.02Å; R203-V215 HydrophobicContact CG-CG1 4.41Å; R203-R217 HydrophobicContact CG-CB 4.29Å; R203-R217 HydrophobicContact CG-CG 4.29Å |
| 204 | F | 91.9 | Very high | 87.5 | Confident | 3 Ų | 3 | 50.7 Ų | 50.7 | 1% | 0.013 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 134.9 | 177.4 | -65.3 | -96.9 | 0 | 0 | 0 | 109.9 | L139 F156 K157 L162 L191 L193 G202 V216 V218 | L139-F204 HydrophobicContact CD1-CB 3.58Å; L139-F204 HydrophobicContact CD1-CD1 4.18Å; L139-F204 HydrophobicContact CD1-CD2 4.35Å; L139-F204 HydrophobicContact CD1-CG 3.79Å; F156-F204 VanDerWaalsContact O-CA 3.31Å; F156-F204 WeakPolarHBondContact O-CA 3.5Å; K157-F204 HydrophobicContact CB-CD1 4.14Å; K157-F204 HydrophobicContact CB-CE1 3.9Å; K157-F204 HydrophobicContact CB-CZ 4.35Å; K157-F204 HydrophobicContact CD-CE1 3.99Å; K157-F204 HydrophobicContact CD-CE2 4.39Å; K157-F204 HydrophobicContact CD-CZ 3.69Å; K157-F204 HydrophobicContact CG-CD1 4.3Å; K157-F204 HydrophobicContact CG-CE1 3.82Å; K157-F204 HydrophobicContact CG-CE2 4.16Å; K157-F204 HydrophobicContact CG-CZ 3.74Å; L162-F204 HydrophobicContact CD1-CD1 3.87Å; L162-F204 HydrophobicContact CD1-CE1 3.78Å; L191-F204 HydrophobicContact CD2-CD1 3.69Å; L191-F204 HydrophobicContact CD2-CE1 4.19Å; L193-F204 HydrophobicContact CD1-CE1 4.07Å; L193-F204 HydrophobicContact CD1-CE2 4.29Å; L193-F204 HydrophobicContact CD1-CZ 3.85Å; L193-F204 HydrophobicContact CD2-CE1 3.95Å; L193-F204 HydrophobicContact CD2-CZ 4.3Å; G202-F204 WeakPolarHBondContact O-CD2 3.42Å; F204-V216 PolarHBondContact N-O 2.02Å; F204-V216 PolarHBondContact O-N 2.8Å; F204-V218 HydrophobicContact CD2-CB 3.97Å; F204-V218 HydrophobicContact CD2-CG2 3.56Å; F204-V218 HydrophobicContact CE2-CB 3.81Å; F204-V218 HydrophobicContact CE2-CG2 3.82Å; F204-V218 HydrophobicContact CG-CG2 4.44Å |
| 205 | W | 90.8 | Very high | 87.6 | Confident | 57 Ų | 57 | 50.9 Ų | 50.9 | 22% | 0.216 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 163.9 | 175.8 | 60.9 | -78.5 | 0 | 0 | 0 | 109.5 | F156 I207 V212 V215 | F156-W205 HydrophobicContact CB-CD2 3.87Å; F156-W205 HydrophobicContact CB-CG 4.17Å; F156-W205 HydrophobicContact CB-CH2 4.44Å; F156-W205 HydrophobicContact CB-CZ2 3.67Å; F156-W205 HydrophobicContact CD1-CH2 4.07Å; F156-W205 AromaticContact CD1-CZ2 3.76Å; F156-W205 HydrophobicContact CD1-CZ2 3.76Å; F156-W205 HydrophobicContact CD2-CD2 4.11Å; F156-W205 AromaticContact CD2-CE3 3.98Å; F156-W205 HydrophobicContact CD2-CE3 3.98Å; F156-W205 AromaticContact CD2-CH2 3.83Å; F156-W205 HydrophobicContact CD2-CH2 3.83Å; F156-W205 AromaticContact CD2-CZ2 3.93Å; F156-W205 HydrophobicContact CD2-CZ2 3.93Å; F156-W205 AromaticContact CD2-CZ3 3.88Å; F156-W205 HydrophobicContact CD2-CZ3 3.88Å; F156-W205 HydrophobicContact CE1-CH2 4.25Å; F156-W205 HydrophobicContact CE1-CZ2 4.37Å; F156-W205 HydrophobicContact CE2-CH2 4.06Å; F156-W205 HydrophobicContact CE2-CZ3 4.11Å; F156-W205 HydrophobicContact CG-CD2 4.17Å; F156-W205 AromaticContact CG-CE2 3.7Å; F156-W205 HydrophobicContact CG-CE3 4.44Å; F156-W205 AromaticContact CG-CH2 3.86Å; F156-W205 HydrophobicContact CG-CH2 3.86Å; F156-W205 AromaticContact CG-CZ2 3.52Å; F156-W205 HydrophobicContact CG-CZ2 3.52Å; F156-W205 HydrophobicContact CG-CZ3 4.33Å; F156-W205 HydrophobicContact CZ-CH2 4.26Å; F156-W205 PolarHBondContact N-O 2.87Å; F156-W205 PolarHBondContact O-N 3Å; F156-W205 VanDerWaalsContact O-N 3.08Å; W205-I207 HydrophobicContact CE3-CG1 4.11Å; W205-I207 HydrophobicContact CH2-CD1 4.01Å; W205-I207 HydrophobicContact CH2-CG1 4.23Å; W205-I207 HydrophobicContact CZ3-CD1 3.65Å; W205-I207 HydrophobicContact CZ3-CG1 3.4Å; W205-I207 VanDerWaalsContact CZ3-CG1 3.4Å; W205-V212 HydrophobicContact CE3-CG1 3.91Å; W205-V212 HydrophobicContact CZ3-CG1 4.23Å; W205-V212 HydrophobicContact CZ3-CG2 4.49Å; W205-V215 HydrophobicContact CB-CG2 4.06Å |
| 206 | C | 88.9 | Confident | 87.9 | Confident | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.014 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 158.9 | -178.8 | 63.5 | 0 | 0 | 0 | 0 | 111.5 | C141 A153 S154 W155 G213 | C141-C206 WeakPolarHBondContact CA-SG 3.39Å; C141-C206 HydrophobicContact CB-CB 3.79Å; C141-C206 WeakPolarHBondContact CB-SG 3.26Å; C141-C206 WeakPolarHBondContact SG-CB 3.19Å; C141-C206 CovalentContact SG-SG 2.03Å; C141-C206 PolarHBondContact SG-SG 3.47Å; A153-C206 HydrophobicContact CB-CB 4.43Å; S154-C206 CarbonylContact O-C 3.53Å; S154-C206 WeakPolarHBondContact O-CA 3.43Å; W155-C206 HydrophobicContact CD2-CB 4.05Å; W155-C206 HydrophobicContact CE3-CB 3.98Å; W155-C206 HydrophobicContact CH2-CB 4.39Å; W155-C206 HydrophobicContact CZ2-CB 4.44Å; W155-C206 HydrophobicContact CZ3-CB 4.16Å; C206-G213 PolarHBondContact O-N 3.14Å |
| 207 | I | 88.5 | Confident | 88.1 | Confident | 50 Ų | 50 | 55.8 Ų | 55.8 | 26% | 0.256 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 126.4 | 163.5 | -59.4 | 176.5 | 0 | 0 | 0 | 107.2 | A153 S154 F156 W205 V211 V212 | A153-I207 WeakPolarHBondContact CA-O 3.25Å; S154-I207 PolarHBondContact N-O 3.33Å; S154-I207 PolarHBondContact O-N 2.8Å; F156-I207 HydrophobicContact CD2-CG1 4.44Å; F156-I207 HydrophobicContact CE2-CB 4.26Å; F156-I207 HydrophobicContact CE2-CD1 3.7Å; F156-I207 HydrophobicContact CE2-CG1 3.72Å; F156-I207 HydrophobicContact CZ-CD1 3.83Å; F156-I207 HydrophobicContact CZ-CG1 4.37Å; W205-I207 HydrophobicContact CE3-CG1 4.11Å; W205-I207 HydrophobicContact CH2-CD1 4.01Å; W205-I207 HydrophobicContact CH2-CG1 4.23Å; W205-I207 HydrophobicContact CZ3-CD1 3.65Å; W205-I207 HydrophobicContact CZ3-CG1 3.4Å; W205-I207 VanDerWaalsContact CZ3-CG1 3.4Å; I207-V211 WeakPolarHBondContact CA-O 3.47Å; I207-V212 HydrophobicContact CG1-CG2 4.43Å |
| 208 | C | 86.5 | Confident | 88.3 | Confident | 4 Ų | 4 | 48.1 Ų | 48.1 | 3% | 0.027 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 124.9 | 172.2 | -174.9 | 0 | 0 | 0 | 0 | 111 | P143 C150 S152 A153 G210 V211 | P143-C208 HydrophobicContact CG-CB 3.95Å; C150-C208 WeakPolarHBondContact CA-SG 3.26Å; C150-C208 HydrophobicContact CB-CB 4.05Å; C150-C208 WeakPolarHBondContact CB-SG 3.49Å; C150-C208 WeakPolarHBondContact SG-CB 3.31Å; C150-C208 CovalentContact SG-SG 2Å; C150-C208 PolarHBondContact SG-SG 2.95Å; S152-C208 PolarHBondContact O-SG 2.85Å; A153-C208 HydrophobicContact CB-CB 4.48Å; C208-G210 PolarHBondContact O-N 3.5Å; C208-G210 VanDerWaalsContact O-N 3.14Å; C208-V211 PolarHBondContact N-O 3.35Å; C208-V211 WeakPolarHBondContact O-CA 3.42Å; C208-V211 WeakPolarHBondContact O-CB 3.28Å; C208-V211 PolarHBondContact O-N 2.73Å |
| 209 | N | 82 | Confident | 88.7 | Confident | 89 Ų | 89 | 48.3 Ų | 48.3 | 48% | 0.476 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 38.5 | -177.4 | -61.7 | -9.4 | 0 | 0 | 0 | 113.1 | V211 | N209-V211 VanDerWaalsContact C-N 3.26Å; N209-V211 PolarHBondContact O-N 2.79Å |
| 210 | G | 80.6 | Confident | 89.1 | Confident | 69 Ų | 69 | 45.4 Ų | 45.4 | 71% | 0.711 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | -3.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | C208 | C208-G210 PolarHBondContact O-N 3.5Å; C208-G210 VanDerWaalsContact O-N 3.14Å |
| 211 | V | 83.9 | Confident | 89.3 | Confident | 55 Ų | 55 | 43.9 Ų | 43.9 | 33% | 0.333 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 129.4 | 178.2 | -172.7 | 0 | 0 | 0 | 0 | 110.4 | P143 I207 C208 N209 | P143-V211 HydrophobicContact CB-CB 4.26Å; P143-V211 HydrophobicContact CB-CG1 3.88Å; I207-V211 WeakPolarHBondContact CA-O 3.47Å; C208-V211 PolarHBondContact N-O 3.35Å; C208-V211 WeakPolarHBondContact O-CA 3.42Å; C208-V211 WeakPolarHBondContact O-CB 3.28Å; C208-V211 PolarHBondContact O-N 2.73Å; N209-V211 VanDerWaalsContact C-N 3.26Å; N209-V211 PolarHBondContact O-N 2.79Å |
| 212 | V | 86.5 | Confident | 89.3 | Confident | 65 Ų | 65 | 43 Ų | 43 | 39% | 0.394 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 131.5 | 178.4 | -178.7 | 0 | 0 | 0 | 0 | 110.5 | W205 I207 | W205-V212 HydrophobicContact CE3-CG1 3.91Å; W205-V212 HydrophobicContact CZ3-CG1 4.23Å; W205-V212 HydrophobicContact CZ3-CG2 4.49Å; I207-V212 HydrophobicContact CG1-CG2 4.43Å |
| 213 | G | 84.5 | Confident | 89.2 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | B | Isolated β-bridge | trans | -77.9 | 169.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | K142 C206 | K142-G213 WeakPolarHBondContact O-CA 3.49Å; C206-G213 PolarHBondContact O-N 3.14Å |
| 214 | Q | 84.7 | Confident | 88.9 | Confident | 70 Ų | 70 | 39.3 Ų | 39.3 | 33% | 0.327 | 21% | 0.21 | S | C | . | . | P | Polyproline II helix | trans | -57.1 | 138.9 | 170.4 | -173.7 | 175.6 | 13.4 | 0 | 0 | 111.2 | K142 L144 | K142-Q214 PolarHBondContact O-N 2.8Å; L144-Q214 HydrophobicContact CD2-CB 4.47Å |
| 215 | V | 89.5 | Confident | 88.2 | Confident | 49 Ų | 49 | 44.4 Ų | 44.4 | 30% | 0.297 | 24% | 0.241 | S | C | . | . | P | Polyproline II helix | trans | -85.7 | 124.4 | 173.1 | -173.2 | 0 | 0 | 0 | 0 | 109.3 | V126 K127 R203 W205 | V126-V215 HydrophobicContact CG1-CG1 4.19Å; K127-V215 PolarHBondContact N-O 2.92Å; R203-V215 HydrophobicContact CB-CG1 4.02Å; R203-V215 HydrophobicContact CG-CG1 4.41Å; W205-V215 HydrophobicContact CB-CG2 4.06Å |
| 216 | V | 91.1 | Very high | 86.9 | Confident | 23 Ų | 23 | 49.7 Ų | 49.7 | 14% | 0.139 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 125.3 | 176.1 | -178.1 | 0 | 0 | 0 | 0 | 108.8 | K127 L129 L139 F204 V218 | K127-V216 HydrophobicContact CB-CG2 4.49Å; K127-V216 CarbonylContact O-C 3.59Å; K127-V216 WeakPolarHBondContact O-CA 3.41Å; K127-V216 WeakPolarHBondContact O-CG1 3.41Å; L129-V216 HydrophobicContact CB-CG1 4.04Å; L139-V216 HydrophobicContact CD2-CG1 4.18Å; F204-V216 PolarHBondContact N-O 2.02Å; F204-V216 PolarHBondContact O-N 2.8Å; V216-V218 HydrophobicContact CG1-CG2 4.43Å |
| 217 | R | 93.5 | Very high | 85.5 | Confident | 107 Ų | 107 | 51 Ų | 51 | 40% | 0.404 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 110.9 | 172.3 | -174.6 | 177.2 | -167 | 129.3 | 4.8 | 109.1 | V126 K127 E128 L129 G202 R203 R219 | V126-R217 HydrophobicContact CG1-CB 3.57Å; K127-R217 PolarHBondContact O-N 2.73Å; E128-R217 CarbonylContact C-O 3.53Å; E128-R217 WeakPolarHBondContact CA-O 3.08Å; E128-R217 HydrophobicContact CG-CB 4.48Å; L129-R217 PolarHBondContact N-O 2.83Å; G202-R217 WeakPolarHBondContact O-CA 3.48Å; R203-R217 HydrophobicContact CG-CB 4.29Å; R203-R217 HydrophobicContact CG-CG 4.29Å; R217-R219 HydrophobicContact CG-CG 4.18Å |
| 218 | V | 93 | Very high | 84 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 128.7 | 173.7 | -178.9 | 0 | 0 | 0 | 0 | 108.1 | L129 A131 L139 L193 G202 F204 V216 I220 | L129-V218 HydrophobicContact CD2-CG2 4.46Å; L129-V218 WeakPolarHBondContact O-CA 3.49Å; A131-V218 HydrophobicContact CB-CG1 4.46Å; L139-V218 HydrophobicContact CD1-CG2 4.18Å; L193-V218 HydrophobicContact CD1-CG2 4.46Å; G202-V218 PolarHBondContact N-O 2.77Å; G202-V218 PolarHBondContact O-N 3.33Å; F204-V218 HydrophobicContact CD2-CB 3.97Å; F204-V218 HydrophobicContact CD2-CG2 3.56Å; F204-V218 HydrophobicContact CE2-CB 3.81Å; F204-V218 HydrophobicContact CE2-CG2 3.82Å; F204-V218 HydrophobicContact CG-CG2 4.44Å; V216-V218 HydrophobicContact CG1-CG2 4.43Å; V218-I220 HydrophobicContact CG1-CD1 3.83Å |
| 219 | R | 94.5 | Very high | 83 | Confident | 77 Ų | 77 | 58.9 Ų | 58.9 | 29% | 0.291 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 126 | 173.4 | -52.8 | -175.4 | 71.4 | 172.2 | 4.5 | 109.6 | E128 L129 L130 A131 D201 R217 V221 F252 | E128-R219 IonicContact OE2-NH1 3.28Å; L129-R219 PolarHBondContact O-N 3.37Å; L130-R219 WeakPolarHBondContact CA-O 3.4Å; L130-R219 HydrophobicContact CD2-CB 3.87Å; A131-R219 PolarHBondContact N-O 3.04Å; D201-R219 VanDerWaalsContact OD1-CA 3.27Å; D201-R219 WeakPolarHBondContact OD1-CA 3.42Å; R217-R219 HydrophobicContact CG-CG 4.18Å; R219-V221 PolarHBondContact O-N 3.33Å; R219-F252 HydrophobicContact CB-CD1 4.44Å; R219-F252 HydrophobicContact CB-CE1 3.73Å; R219-F252 VanDerWaalsContact CZ-CE2 3.48Å |
| 220 | I | 93.3 | Very high | 82.6 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 115.4 | -175.8 | -56.4 | -44.6 | 0 | 0 | 0 | 109 | A131 Q133 L196 R197 D200 D201 V218 F252 | A131-I220 HydrophobicContact CB-CD1 4.25Å; A131-I220 CarbonylContact O-C 3.57Å; A131-I220 VanDerWaalsContact O-CA 3.25Å; A131-I220 WeakPolarHBondContact O-CA 3.23Å; Q133-I220 HydrophobicContact CB-CG2 4.09Å; L196-I220 HydrophobicContact CB-CD1 3.88Å; L196-I220 HydrophobicContact CD1-CD1 3.86Å; L196-I220 HydrophobicContact CD2-CD1 3.95Å; L196-I220 HydrophobicContact CG-CD1 4.11Å; R197-I220 WeakPolarHBondContact O-CG1 3.3Å; D200-I220 HydrophobicContact CB-CD1 4.47Å; D200-I220 HydrophobicContact CB-CG1 4.35Å; D201-I220 WeakPolarHBondContact OD1-CG1 3.14Å; D201-I220 PolarHBondContact OD1-N 3.37Å; V218-I220 HydrophobicContact CG1-CD1 3.83Å; I220-F252 WeakPolarHBondContact O-CD1 3.32Å |
| 221 | V | 93.6 | Very high | 82.5 | Confident | 3 Ų | 3 | 55.9 Ų | 55.9 | 2% | 0.018 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 134.8 | 177.6 | -58 | 0 | 0 | 0 | 0 | 110.1 | L130 A131 P132 Q133 R219 F252 V300 V301 | L130-V221 HydrophobicContact CB-CG1 3.75Å; L130-V221 HydrophobicContact CD1-CG1 4.29Å; L130-V221 HydrophobicContact CD2-CG1 3.88Å; L130-V221 HydrophobicContact CG-CG1 4.17Å; A131-V221 PolarHBondContact O-N 2.97Å; P132-V221 CarbonylContact C-O 3.6Å; P132-V221 VanDerWaalsContact CA-CG2 3.48Å; P132-V221 VanDerWaalsContact CA-O 3.31Å; P132-V221 WeakPolarHBondContact CA-O 3.28Å; P132-V221 HydrophobicContact CB-CG2 4.03Å; P132-V221 HydrophobicContact CG-CG2 3.87Å; Q133-V221 PolarHBondContact N-O 3.13Å; R219-V221 PolarHBondContact O-N 3.33Å; V221-F252 CarbonylContact C-O 3.51Å; V221-F252 WeakPolarHBondContact CA-O 2.76Å; V221-F252 WeakPolarHBondContact CB-O 2.85Å; V221-F252 HydrophobicContact CG1-CD1 4.09Å; V221-F252 HydrophobicContact CG1-CE1 4.26Å; V221-V300 HydrophobicContact CB-CG2 3.81Å; V221-V300 HydrophobicContact CG1-CG2 3.93Å; V221-V300 HydrophobicContact CG2-CG2 3.86Å; V221-V301 HydrophobicContact CB-CG2 3.85Å; V221-V301 HydrophobicContact CG2-CG2 3.66Å |
| 222 | Y | 91.8 | Very high | 82.6 | Confident | 48 Ų | 48 | 56.9 Ų | 56.9 | 19% | 0.188 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 157.9 | -177.1 | 67.2 | -90.4 | 0 | 0 | 0 | 110.5 | K198 D224 G251 F252 N299 | K198-Y222 HydrophobicContact CD-CD1 4.13Å; K198-Y222 HydrophobicContact CD-CD2 4.47Å; K198-Y222 HydrophobicContact CD-CE1 3.91Å; K198-Y222 HydrophobicContact CD-CE2 4.29Å; K198-Y222 HydrophobicContact CD-CG 4.4Å; K198-Y222 VanDerWaalsContact CE-CE2 3.47Å; K198-Y222 HydrophobicContact CG-CD1 4.05Å; K198-Y222 HydrophobicContact CG-CE1 4.14Å; Y222-D224 WeakPolarHBondContact CD2-OD1 3.23Å; Y222-G251 CarbonylContact O-C 3.43Å; Y222-G251 WeakPolarHBondContact O-CA 3.49Å; Y222-F252 HydrophobicContact CD1-CB 3.91Å; Y222-F252 HydrophobicContact CE1-CB 3.55Å; Y222-F252 PolarHBondContact N-O 2.99Å; Y222-F252 VanDerWaalsContact N-O 3.1Å; Y222-F252 PolarHBondContact O-N 2.89Å; Y222-N299 PolarHBondContact O-ND2 2.89Å |
| 223 | L | 90.8 | Very high | 82.9 | Confident | 9 Ų | 9 | 57.7 Ų | 57.7 | 5% | 0.047 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 110.1 | 169.4 | -171.6 | 62.3 | 0 | 0 | 0 | 107.1 | T225 P249 P255 V301 G302 R304 | L223-T225 PolarHBondContact O-N 3.28Å; L223-P249 HydrophobicContact CD1-CB 4.3Å; L223-P249 HydrophobicContact CD1-CG 3.88Å; L223-P249 HydrophobicContact CG-CG 4.35Å; L223-P255 HydrophobicContact CD1-CB 3.98Å; L223-P255 HydrophobicContact CD1-CG 4.3Å; L223-V301 HydrophobicContact CB-CB 4.36Å; L223-G302 WeakPolarHBondContact CD2-O 3.27Å; L223-R304 HydrophobicContact CD2-CG 3.7Å; L223-R304 HydrophobicContact CG-CG 4.04Å; L223-R304 PolarHBondContact O-NH2 3.34Å |
| 224 | D | 87.2 | Confident | 83.3 | Confident | 44 Ų | 44 | 58.6 Ų | 58.6 | 24% | 0.235 | 30% | 0.299 | C | S | . | . | trans | -59 | 137.6 | -169.4 | -79.6 | -15.4 | 0 | 0 | 0 | 111.5 | K198 Y222 P249 A250 | K198-D224 IonicContact NZ-OD1 3.78Å; K198-D224 PolarHBondContact NZ-OD1 3.16Å; K198-D224 IonicContact NZ-OD2 2.72Å; K198-D224 PolarHBondContact NZ-OD2 3.45Å; Y222-D224 WeakPolarHBondContact CD2-OD1 3.23Å; D224-P249 HydrophobicContact CB-CB 4.44Å; D224-P249 WeakPolarHBondContact O-CB 3.29Å; D224-A250 WeakPolarHBondContact CB-O 3.18Å; D224-A250 PolarHBondContact N-O 2.88Å | ||
| 225 | T | 76.4 | Confident | 83.8 | Confident | 109 Ų | 109 | 60.8 Ų | 60.8 | 67% | 0.669 | 31% | 0.309 | S | S | * | . | trans | -91.5 | -14.3 | 178.8 | 54.8 | 0 | 0 | 0 | 0 | 112.5 | L223 F227 | L223-T225 PolarHBondContact O-N 3.28Å; T225-F227 PolarHBondContact O-N 2.82Å | ||
| 226 | L | 63.1 | Low | 84 | Confident | 168 Ų | 168 | 59.3 Ų | 59.3 | 88% | 0.88 | 30% | 0.301 | S | S | * | . | trans | -75 | 62.5 | 179.3 | -70.1 | 174.6 | 0 | 0 | 0 | 110.6 | ||||
| 227 | F | 61.6 | Low | 84.2 | Confident | 31 Ų | 31 | 60.7 Ų | 60.7 | 14% | 0.136 | 31% | 0.311 | C | S | . | . | trans | -129.7 | 125.8 | -179.4 | -157.4 | -67.3 | 0 | 0 | 0 | 108.6 | T225 T229 R247 P249 F306 | T225-F227 PolarHBondContact O-N 2.82Å; F227-T229 PolarHBondContact O-N 2.96Å; F227-T229 PolarHBondContact O-OG1 3.4Å; F227-R247 HydrophobicContact CD2-CB 4.44Å; F227-R247 HydrophobicContact CE1-CB 3.98Å; F227-R247 HydrophobicContact CE2-CB 3.33Å; F227-R247 WeakPolarHBondContact CE2-O 2.99Å; F227-R247 HydrophobicContact CZ-CB 3.12Å; F227-R247 HydrophobicContact CZ-CG 4.34Å; F227-R247 WeakPolarHBondContact CZ-O 3.34Å; F227-P249 HydrophobicContact CD2-CB 3.85Å; F227-P249 HydrophobicContact CD2-CG 4.22Å; F227-F306 HydrophobicContact CB-CE1 3.88Å; F227-F306 HydrophobicContact CB-CZ 3.94Å; F227-F306 AromaticContact CD1-CD1 3.2Å; F227-F306 HydrophobicContact CD1-CD1 3.2Å; F227-F306 HydrophobicContact CD1-CD2 4.43Å; F227-F306 AromaticContact CD1-CE1 2.75Å; F227-F306 HydrophobicContact CD1-CE1 2.75Å; F227-F306 HydrophobicContact CD1-CE2 4.06Å; F227-F306 HydrophobicContact CD1-CG 4.04Å; F227-F306 AromaticContact CD1-CZ 3.21Å; F227-F306 HydrophobicContact CD1-CZ 3.21Å; F227-F306 AromaticContact CD2-CE1 3.94Å; F227-F306 HydrophobicContact CD2-CE1 3.94Å; F227-F306 HydrophobicContact CD2-CE2 4Å; F227-F306 AromaticContact CD2-CZ 3.43Å; F227-F306 HydrophobicContact CD2-CZ 3.43Å; F227-F306 VanDerWaalsContact CD2-CZ 3.43Å; F227-F306 HydrophobicContact CE1-CB 4.3Å; F227-F306 AromaticContact CE1-CD1 2.9Å; F227-F306 HydrophobicContact CE1-CD1 2.9Å; F227-F306 AromaticContact CE1-CD2 3.71Å; F227-F306 HydrophobicContact CE1-CD2 3.71Å; F227-F306 AromaticContact CE1-CE1 2.97Å; F227-F306 HydrophobicContact CE1-CE1 2.97Å; F227-F306 AromaticContact CE1-CE2 3.69Å; F227-F306 HydrophobicContact CE1-CE2 3.69Å; F227-F306 AromaticContact CE1-CG 3.32Å; F227-F306 HydrophobicContact CE1-CG 3.32Å; F227-F306 AromaticContact CE1-CZ 3.31Å; F227-F306 HydrophobicContact CE1-CZ 3.31Å; F227-F306 HydrophobicContact CE2-CD2 4.16Å; F227-F306 HydrophobicContact CE2-CE1 4.05Å; F227-F306 AromaticContact CE2-CE2 3.56Å; F227-F306 HydrophobicContact CE2-CE2 3.56Å; F227-F306 AromaticContact CE2-CZ 3.47Å; F227-F306 HydrophobicContact CE2-CZ 3.47Å; F227-F306 VanDerWaalsContact CE2-CZ 3.47Å; F227-F306 HydrophobicContact CG-CD1 4.09Å; F227-F306 AromaticContact CG-CE1 3.22Å; F227-F306 HydrophobicContact CG-CE1 3.22Å; F227-F306 HydrophobicContact CG-CE2 4.13Å; F227-F306 AromaticContact CG-CZ 3.19Å; F227-F306 HydrophobicContact CG-CZ 3.19Å; F227-F306 AromaticContact CZ-CD1 3.56Å; F227-F306 HydrophobicContact CZ-CD1 3.56Å; F227-F306 AromaticContact CZ-CD2 3.41Å; F227-F306 HydrophobicContact CZ-CD2 3.41Å; F227-F306 VanDerWaalsContact CZ-CD2 3.41Å; F227-F306 AromaticContact CZ-CE1 3.5Å; F227-F306 HydrophobicContact CZ-CE1 3.5Å; F227-F306 AromaticContact CZ-CE2 3.26Å; F227-F306 HydrophobicContact CZ-CE2 3.26Å; F227-F306 AromaticContact CZ-CG 3.53Å; F227-F306 HydrophobicContact CZ-CG 3.53Å; F227-F306 AromaticContact CZ-CZ 3.29Å; F227-F306 HydrophobicContact CZ-CZ 3.29Å | ||
| 228 | K | 56.5 | Low | 84.2 | Confident | 147 Ų | 147 | 58 Ų | 58 | 64% | 0.639 | 31% | 0.307 | S | S | * | . | trans | -66.8 | 102 | 173.8 | -74.4 | -170.9 | 174.6 | -169.8 | 0 | 109.5 | T230 | K228-T230 PolarHBondContact O-N 3Š| ||
| 229 | T | 65.8 | Low | 84.3 | Confident | 72 Ų | 72 | 59.9 Ų | 59.9 | 44% | 0.442 | 33% | 0.326 | S | S | . | . | trans | -73.8 | -1.3 | 173.2 | -31.8 | 0 | 0 | 0 | 0 | 112.1 | F227 P231 | F227-T229 PolarHBondContact O-N 2.96Å; F227-T229 PolarHBondContact O-OG1 3.4Å; T229-P231 VanDerWaalsContact O-CD 3.25Å; T229-P231 WeakPolarHBondContact O-CD 3.42Å | ||
| 230 | T | 72.5 | Confident | 84.3 | Confident | 57 Ų | 57 | 61.9 Ų | 61.9 | 35% | 0.35 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 117.7 | -179.7 | 53.3 | 0 | 0 | 0 | 0 | 110.5 | K228 Q232 E461 | K228-T230 PolarHBondContact O-N 3Å; T230-Q232 PolarHBondContact O-N 2.79Å; T230-E461 WeakPolarHBondContact CG2-OE1 3.47Å |
| 231 | P | 79.7 | Confident | 84.3 | Confident | 38 Ų | 38 | 64.8 Ų | 64.8 | 25% | 0.247 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -53.3 | 129 | 174.6 | -25.6 | 33.1 | 0 | 0 | 0 | 111.3 | T229 Y307 Y476 | T229-P231 VanDerWaalsContact O-CD 3.25Å; T229-P231 WeakPolarHBondContact O-CD 3.42Å; P231-Y307 VanDerWaalsContact CA-O 3.32Å; P231-Y307 WeakPolarHBondContact CA-O 3.25Å; P231-Y476 VanDerWaalsContact CD-OH 3.3Å; P231-Y476 WeakPolarHBondContact CD-OH 3.38Å; P231-Y476 WeakPolarHBondContact CG-OH 3.49Å |
| 232 | Q | 85.8 | Confident | 84.4 | Confident | 75 Ų | 75 | 65.1 Ų | 65.1 | 35% | 0.35 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 123.2 | 178 | -176.2 | -179.9 | -41.3 | 0 | 0 | 109.7 | T230 V234 Y307 N308 H309 | T230-Q232 PolarHBondContact O-N 2.79Å; Q232-V234 HydrophobicContact CG-CG2 4.1Å; Q232-Y307 PolarHBondContact N-O 2.84Å; Q232-N308 CarbonylContact O-C 3.52Å; Q232-N308 VanDerWaalsContact O-CA 3.29Å; Q232-N308 WeakPolarHBondContact O-CA 3.43Å; Q232-H309 PolarHBondContact O-N 2.96Å |
| 233 | V | 91.8 | Very high | 84.5 | Confident | 83 Ų | 83 | 65.7 Ų | 65.7 | 50% | 0.503 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 128.4 | 171.9 | -175.2 | 0 | 0 | 0 | 0 | 109 | H309 I311 | V233-H309 CarbonylContact C-O 3.57Å; V233-H309 WeakPolarHBondContact CA-O 3.43Å; V233-H309 HydrophobicContact CG2-CB 4.44Å; V233-I311 HydrophobicContact CG1-CD1 3.78Å; V233-I311 HydrophobicContact CG1-CG1 4.42Å |
| 234 | V | 93.5 | Very high | 84.7 | Confident | 20 Ų | 20 | 65.2 Ų | 65.2 | 12% | 0.121 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 124 | -179 | -175.8 | 0 | 0 | 0 | 0 | 108.6 | Q232 V242 L244 H309 L310 I311 | Q232-V234 HydrophobicContact CG-CG2 4.1Å; V234-V242 HydrophobicContact CG1-CG2 3.53Å; V234-L244 HydrophobicContact CB-CD2 4.22Å; V234-L244 HydrophobicContact CG1-CD2 4.34Å; V234-L244 HydrophobicContact CG2-CD2 4.1Å; V234-H309 PolarHBondContact N-O 2.89Å; V234-L310 HydrophobicContact CB-CD1 4.26Å; V234-L310 HydrophobicContact CG1-CD1 4.18Å; V234-L310 WeakPolarHBondContact O-CA 3.45Å; V234-I311 PolarHBondContact O-N 3.45Å |
| 235 | H | 94.4 | Very high | 84.8 | Confident | 117 Ų | 117 | 69.3 Ų | 69.3 | 54% | 0.542 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 139 | 175.3 | -68.5 | -95 | 0 | 0 | 0 | 110.2 | I311 | H235-I311 WeakPolarHBondContact CA-O 3.44Å |
| 236 | T | 94.8 | Very high | 85.4 | Confident | 18 Ų | 18 | 64.2 Ų | 64.2 | 11% | 0.11 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 158.2 | 171.3 | -169.4 | 0 | 0 | 0 | 0 | 110.2 | V242 A285 L310 I311 V312 Q313 | T236-V242 HydrophobicContact CG2-CB 4.2Å; T236-V242 HydrophobicContact CG2-CG1 4.13Å; T236-A285 HydrophobicContact CG2-CB 3.82Å; T236-L310 HydrophobicContact CG2-CD1 3.8Å; T236-I311 PolarHBondContact N-O 3.28Å; T236-V312 HydrophobicContact CG2-CB 4.16Å; T236-V312 HydrophobicContact CG2-CG1 4.08Å; T236-V312 HydrophobicContact CG2-CG2 3.68Å; T236-V312 CarbonylContact O-C 3.59Å; T236-V312 WeakPolarHBondContact O-CA 3.38Å; T236-Q313 PolarHBondContact O-N 2.77Å |
| 237 | S | 94.7 | Very high | 86.3 | Confident | 52 Ų | 52 | 63.5 Ų | 63.5 | 36% | 0.364 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 152.7 | 173.2 | -58.9 | 0 | 0 | 0 | 0 | 111.2 | G239 Q240 Q313 | S237-G239 PolarHBondContact O-N 2.73Å; S237-Q240 WeakPolarHBondContact O-CB 3.01Å; S237-Q240 PolarHBondContact O-N 2.84Å; S237-Q313 CarbonylContact C-O 3.53Å; S237-Q313 WeakPolarHBondContact CA-O 3.48Å |
| 238 | V | 94.5 | Very high | 87.3 | Confident | 51 Ų | 51 | 64.7 Ų | 64.7 | 31% | 0.309 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 134.8 | 172.8 | 176.9 | 0 | 0 | 0 | 0 | 110 | Q240 A285 E287 V312 Q313 Q314 | V238-Q240 VanDerWaalsContact C-N 3.26Å; V238-Q240 PolarHBondContact O-N 2.83Å; V238-A285 CarbonylContact C-O 3.58Å; V238-A285 WeakPolarHBondContact CA-O 3.5Å; V238-E287 HydrophobicContact CG2-CG 3.85Å; V238-V312 HydrophobicContact CB-CG1 4.49Å; V238-V312 HydrophobicContact CG2-CG1 3.75Å; V238-Q313 PolarHBondContact N-O 2.85Å; V238-Q314 HydrophobicContact CB-CG 4.47Å; V238-Q314 HydrophobicContact CG2-CG 3.78Å |
| 239 | G | 93.1 | Very high | 88.8 | Confident | 39 Ų | 39 | 58 Ų | 58 | 40% | 0.402 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | -11.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | S237 A285 | S237-G239 PolarHBondContact O-N 2.73Å; G239-A285 PolarHBondContact N-O 3.44Å |
| 240 | Q | 94.4 | Very high | 89.9 | Confident | 119 Ų | 119 | 57.1 Ų | 57.1 | 56% | 0.556 | 32% | 0.32 | S | S | * | . | trans | -83.5 | 149.3 | 175 | -64.3 | -62.6 | -50.5 | 0 | 0 | 111.3 | S237 V238 A285 | S237-Q240 WeakPolarHBondContact O-CB 3.01Å; S237-Q240 PolarHBondContact O-N 2.84Å; V238-Q240 VanDerWaalsContact C-N 3.26Å; V238-Q240 PolarHBondContact O-N 2.83Å; Q240-A285 WeakPolarHBondContact O-CB 3.49Å; Q240-A285 PolarHBondContact O-N 2.99Å | ||
| 241 | S | 94.8 | Very high | 90.8 | Very high | 60 Ų | 60 | 55 Ų | 55 | 42% | 0.42 | 31% | 0.31 | S | S | . | . | trans | -89.1 | 137.4 | 173.2 | -57.8 | 0 | 0 | 0 | 0 | 110.5 | I282 I283 S284 | S241-I282 CarbonylContact C-O 3.58Å; S241-I282 VanDerWaalsContact CA-O 3.23Å; S241-I282 WeakPolarHBondContact CA-O 3.45Å; S241-I283 WeakPolarHBondContact OG-CA 3.38Å; S241-S284 PolarHBondContact OG-N 2.85Å | ||
| 242 | V | 95.3 | Very high | 91.4 | Very high | 11 Ų | 11 | 55.2 Ų | 55.2 | 7% | 0.067 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 141.4 | -177 | 62.7 | 0 | 0 | 0 | 0 | 110.8 | V234 T236 M281 I282 A285 L310 | V234-V242 HydrophobicContact CG1-CG2 3.53Å; T236-V242 HydrophobicContact CG2-CB 4.2Å; T236-V242 HydrophobicContact CG2-CG1 4.13Å; V242-M281 CarbonylContact O-C 3.55Å; V242-M281 VanDerWaalsContact O-CA 3.32Å; V242-M281 WeakPolarHBondContact O-CA 3.48Å; V242-I282 HydrophobicContact CG1-CB 3.91Å; V242-I282 HydrophobicContact CG1-CD1 4.32Å; V242-I282 PolarHBondContact N-O 3.39Å; V242-I282 PolarHBondContact O-N 3.32Å; V242-A285 HydrophobicContact CG1-CB 4.5Å; V242-L310 HydrophobicContact CG1-CD1 4.02Å; V242-L310 HydrophobicContact CG1-CD2 4.1Å; V242-L310 HydrophobicContact CG2-CD1 4.05Å |
| 243 | V | 94.7 | Very high | 91.7 | Very high | 59 Ų | 59 | 53.7 Ų | 53.7 | 36% | 0.358 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 114.8 | 176.3 | -177.5 | 0 | 0 | 0 | 0 | 109.7 | D279 L280 M281 | V243-D279 HydrophobicContact CG1-CB 4.01Å; V243-L280 CarbonylContact C-O 3.48Å; V243-L280 WeakPolarHBondContact CA-O 3.3Å; V243-M281 HydrophobicContact CG2-CB 4.13Å; V243-M281 HydrophobicContact CG2-CG 4.07Å |
| 244 | L | 93.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 111.4 | 171.4 | -57.2 | 179.9 | 0 | 0 | 0 | 108.6 | V234 W259 D279 L280 I282 Y293 N308 L310 | V234-L244 HydrophobicContact CB-CD2 4.22Å; V234-L244 HydrophobicContact CG1-CD2 4.34Å; V234-L244 HydrophobicContact CG2-CD2 4.1Å; L244-W259 HydrophobicContact CB-CH2 3.73Å; L244-W259 HydrophobicContact CB-CZ2 4.32Å; L244-W259 HydrophobicContact CB-CZ3 4.2Å; L244-W259 WeakPolarHBondContact O-CZ2 3.42Å; L244-D279 WeakPolarHBondContact O-CA 3.45Å; L244-L280 HydrophobicContact CB-CB 4.43Å; L244-L280 HydrophobicContact CD1-CD2 4.37Å; L244-L280 PolarHBondContact N-O 3.02Å; L244-L280 PolarHBondContact O-N 3.41Å; L244-I282 HydrophobicContact CD1-CD1 4.03Å; L244-Y293 HydrophobicContact CD1-CD1 3.61Å; L244-Y293 HydrophobicContact CD1-CD2 3.66Å; L244-Y293 HydrophobicContact CD1-CE1 4.12Å; L244-Y293 HydrophobicContact CD1-CE2 4.16Å; L244-Y293 HydrophobicContact CD1-CG 3.35Å; L244-N308 HydrophobicContact CD2-CB 4.41Å; L244-L310 HydrophobicContact CD2-CB 4.46Å; L244-L310 HydrophobicContact CD2-CD1 4.37Å |
| 245 | K | 90.8 | Very high | 91.5 | Very high | 129 Ų | 129 | 53 Ų | 53 | 56% | 0.561 | 31% | 0.312 | S | S | * | . | trans | -80.4 | 128.1 | -178.8 | -66 | -172.5 | 178.1 | -177.2 | 0 | 109.9 | D279 N308 | K245-D279 VanDerWaalsContact CA-OD1 3.28Å; K245-D279 WeakPolarHBondContact CA-OD1 3.47Å; K245-N308 PolarHBondContact O-ND2 2.9Å | ||
| 246 | C | 88.8 | Confident | 91.4 | Very high | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.02 | 31% | 0.308 | C | S | . | . | trans | -107.6 | 111.6 | 162.5 | -174.6 | 0 | 0 | 0 | 0 | 107.1 | S248 L257 W259 S278 D279 C295 | C246-S248 PolarHBondContact O-N 2.67Å; C246-L257 HydrophobicContact CB-CD1 4.27Å; C246-W259 HydrophobicContact CB-CH2 4.04Å; C246-W259 HydrophobicContact CB-CZ2 3.51Å; C246-S278 VanDerWaalsContact CB-O 3.23Å; C246-S278 WeakPolarHBondContact CB-O 3.38Å; C246-S278 WeakPolarHBondContact O-CB 3.25Å; C246-S278 PolarHBondContact O-OG 3.45Å; C246-D279 PolarHBondContact N-OD1 3.06Å; C246-C295 HydrophobicContact CB-CB 3.59Å; C246-C295 WeakPolarHBondContact CB-SG 3.4Å; C246-C295 WeakPolarHBondContact SG-CB 3.43Å; C246-C295 CovalentContact SG-SG 2.02Å; C246-C295 PolarHBondContact SG-SG 2.87Å | ||
| 247 | R | 80.6 | Confident | 91.2 | Very high | 153 Ų | 153 | 52.8 Ų | 52.8 | 58% | 0.577 | 31% | 0.314 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 133.2 | 161.8 | -60.4 | 166 | -161.2 | -154.5 | 1.8 | 103.6 | F227 | F227-R247 HydrophobicContact CD2-CB 4.44Å; F227-R247 HydrophobicContact CE1-CB 3.98Å; F227-R247 HydrophobicContact CE2-CB 3.33Å; F227-R247 WeakPolarHBondContact CE2-O 2.99Å; F227-R247 HydrophobicContact CZ-CB 3.12Å; F227-R247 HydrophobicContact CZ-CG 4.34Å; F227-R247 WeakPolarHBondContact CZ-O 3.34Å |
| 248 | S | 84 | Confident | 91.2 | Very high | 55 Ų | 55 | 54.7 Ų | 54.7 | 39% | 0.385 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -100 | 127 | 171.1 | -178.8 | 0 | 0 | 0 | 0 | 107.7 | C246 V297 | C246-S248 PolarHBondContact O-N 2.67Å; S248-V297 WeakPolarHBondContact OG-CG1 3.36Å |
| 249 | P | 87.2 | Confident | 91.2 | Very high | 7 Ų | 7 | 52.5 Ų | 52.5 | 5% | 0.045 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 145 | 170.8 | 25.1 | -34.6 | 0 | 0 | 0 | 109.1 | L223 D224 F227 P255 V297 R304 F306 | L223-P249 HydrophobicContact CD1-CB 4.3Å; L223-P249 HydrophobicContact CD1-CG 3.88Å; L223-P249 HydrophobicContact CG-CG 4.35Å; D224-P249 HydrophobicContact CB-CB 4.44Å; D224-P249 WeakPolarHBondContact O-CB 3.29Å; F227-P249 HydrophobicContact CD2-CB 3.85Å; F227-P249 HydrophobicContact CD2-CG 4.22Å; P249-P255 WeakPolarHBondContact O-CG 3.24Å; P249-V297 HydrophobicContact CG-CB 4.16Å; P249-V297 HydrophobicContact CG-CG1 3.85Å; P249-R304 HydrophobicContact CG-CB 4.28Å; P249-R304 HydrophobicContact CG-CG 4.18Å; P249-F306 VanDerWaalsContact CD-CE2 3.48Å; P249-F306 HydrophobicContact CG-CE2 4.27Å; P249-F306 HydrophobicContact CG-CZ 4.15Å |
| 250 | A | 88.6 | Confident | 91.2 | Very high | 53 Ų | 53 | 51.7 Ų | 51.7 | 44% | 0.438 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 145.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | D224 | D224-A250 WeakPolarHBondContact CB-O 3.18Å; D224-A250 PolarHBondContact N-O 2.88Å |
| 251 | G | 90.7 | Very high | 91.2 | Very high | 14 Ų | 14 | 48.1 Ų | 48.1 | 14% | 0.144 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 157.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | Y222 P253 | Y222-G251 CarbonylContact O-C 3.43Å; Y222-G251 WeakPolarHBondContact O-CA 3.49Å; G251-P253 CarbonylContact C-O 3.49Å; G251-P253 CarbonylContact O-C 3.6Å |
| 252 | F | 92.5 | Very high | 90.9 | Very high | 42 Ų | 42 | 49.9 Ų | 49.9 | 18% | 0.184 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 129.2 | 171.4 | -177.2 | -96 | 0 | 0 | 0 | 110.1 | L130 R219 I220 V221 Y222 | L130-F252 HydrophobicContact CD2-CE1 4.05Å; R219-F252 HydrophobicContact CB-CD1 4.44Å; R219-F252 HydrophobicContact CB-CE1 3.73Å; R219-F252 VanDerWaalsContact CZ-CE2 3.48Å; I220-F252 WeakPolarHBondContact O-CD1 3.32Å; V221-F252 CarbonylContact C-O 3.51Å; V221-F252 WeakPolarHBondContact CA-O 2.76Å; V221-F252 WeakPolarHBondContact CB-O 2.85Å; V221-F252 HydrophobicContact CG1-CD1 4.09Å; V221-F252 HydrophobicContact CG1-CE1 4.26Å; Y222-F252 HydrophobicContact CD1-CB 3.91Å; Y222-F252 HydrophobicContact CE1-CB 3.55Å; Y222-F252 PolarHBondContact N-O 2.99Å; Y222-F252 VanDerWaalsContact N-O 3.1Å; Y222-F252 PolarHBondContact O-N 2.89Å |
| 253 | P | 91.8 | Very high | 90.7 | Very high | 42 Ų | 42 | 52.1 Ų | 52.1 | 27% | 0.273 | 30% | 0.297 | S | S | . | . | S | Bend | cis | -54.2 | 160.3 | -14.1 | -21.3 | 34.9 | 0 | 0 | 0 | 111.7 | G251 N299 | G251-P253 CarbonylContact C-O 3.49Å; G251-P253 CarbonylContact O-C 3.6Å; P253-N299 PolarHBondContact O-ND2 3.18Å |
| 254 | G | 90.8 | Very high | 90.6 | Very high | 57 Ų | 57 | 57.2 Ų | 57.2 | 59% | 0.588 | 32% | 0.315 | S | S | * | . | P | Polyproline II helix | trans | -50.1 | 128.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 255 | P | 91.1 | Very high | 90.6 | Very high | 33 Ų | 33 | 61.4 Ų | 61.4 | 21% | 0.214 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -75.3 | 149.9 | -171.4 | 31.3 | -35.3 | 0 | 0 | 0 | 111.6 | L223 P249 V297 W298 N299 | L223-P255 HydrophobicContact CD1-CB 3.98Å; L223-P255 HydrophobicContact CD1-CG 4.3Å; P249-P255 WeakPolarHBondContact O-CG 3.24Å; P255-V297 HydrophobicContact CB-CG1 3.49Å; P255-V297 VanDerWaalsContact CB-CG1 3.49Å; P255-V297 HydrophobicContact CG-CG1 3.73Å; P255-W298 CarbonylContact C-O 3.58Å; P255-W298 VanDerWaalsContact CA-O 3.29Å; P255-W298 WeakPolarHBondContact CA-O 3.27Å; P255-W298 WeakPolarHBondContact CB-O 3.33Å; P255-N299 HydrophobicContact CB-CB 4.28Å |
| 256 | N | 92.2 | Very high | 90.7 | Very high | 83 Ų | 83 | 56.6 Ų | 56.6 | 44% | 0.444 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 155.3 | 170.9 | -66.9 | -52.6 | 0 | 0 | 0 | 110 | V297 W298 | N256-V297 CarbonylContact O-C 3.58Å; N256-V297 VanDerWaalsContact O-CA 3.27Å; N256-V297 WeakPolarHBondContact O-CA 3.31Å; N256-W298 HydrophobicContact CB-CD2 4.22Å; N256-W298 HydrophobicContact CB-CG 4.38Å; N256-W298 HydrophobicContact CB-CZ2 3.93Å; N256-W298 VanDerWaalsContact CB-NE1 3.33Å; N256-W298 PolarHBondContact N-O 2.88Å; N256-W298 WeakPolarHBondContact ND2-CZ2 3.37Å; N256-W298 PolarHBondContact O-N 2.95Å |
| 257 | L | 91.9 | Very high | 90.7 | Very high | 46 Ų | 46 | 65.2 Ų | 65.2 | 24% | 0.241 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 139 | -176.7 | -174.2 | 149.1 | 0 | 0 | 0 | 110.8 | C246 M274 S278 C295 I296 V297 | C246-L257 HydrophobicContact CB-CD1 4.27Å; L257-M274 HydrophobicContact CD2-CE 4.13Å; L257-S278 VanDerWaalsContact CD1-CA 3.46Å; L257-S278 VanDerWaalsContact CD1-CB 3.5Å; L257-C295 VanDerWaalsContact CD1-SG 3.53Å; L257-I296 CarbonylContact C-O 3.59Å; L257-I296 WeakPolarHBondContact CA-O 3.16Å; L257-V297 HydrophobicContact CB-CG2 4.49Å; L257-V297 HydrophobicContact CD1-CG2 3.81Å; L257-V297 HydrophobicContact CG-CG2 4.1Å |
| 258 | R | 92.9 | Very high | 91.1 | Very high | 92 Ų | 92 | 62.2 Ų | 62.2 | 35% | 0.347 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 154.5 | 168.8 | 70.2 | 179.4 | -164.9 | -136.1 | 3.2 | 111.2 | E260 I296 | R258-E260 IonicContact CZ-OE1 2.89Å; R258-E260 VanDerWaalsContact CZ-OE1 3.3Å; R258-E260 IonicContact NE-OE1 3.85Å; R258-E260 PolarHBondContact NE-OE1 3.19Å; R258-E260 IonicContact NH2-OE1 2.78Å; R258-E260 PolarHBondContact NH2-OE1 3.35Å; R258-I296 HydrophobicContact CG-CB 3.93Å; R258-I296 PolarHBondContact N-O 3.29Å; R258-I296 PolarHBondContact O-N 3.41Å |
| 259 | W | 94.4 | Very high | 91.4 | Very high | 6 Ų | 6 | 63 Ų | 63 | 2% | 0.023 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 140.4 | 174.2 | -77.2 | 95.1 | 0 | 0 | 0 | 110.8 | L244 C246 I265 V266 S278 L280 T294 C295 | L244-W259 HydrophobicContact CB-CH2 3.73Å; L244-W259 HydrophobicContact CB-CZ2 4.32Å; L244-W259 HydrophobicContact CB-CZ3 4.2Å; L244-W259 WeakPolarHBondContact O-CZ2 3.42Å; C246-W259 HydrophobicContact CB-CH2 4.04Å; C246-W259 HydrophobicContact CB-CZ2 3.51Å; W259-I265 WeakPolarHBondContact O-CA 3.39Å; W259-V266 HydrophobicContact CB-CB 4.02Å; W259-V266 HydrophobicContact CB-CG2 4.36Å; W259-V266 PolarHBondContact O-N 2.91Å; W259-S278 WeakPolarHBondContact CZ2-O 3.43Å; W259-S278 PolarHBondContact NE1-O 2.84Å; W259-L280 HydrophobicContact CB-CD2 4.18Å; W259-L280 HydrophobicContact CD2-CB 3.91Å; W259-L280 HydrophobicContact CD2-CD2 3.95Å; W259-L280 HydrophobicContact CE3-CD2 4.22Å; W259-L280 HydrophobicContact CG-CB 4.15Å; W259-L280 HydrophobicContact CG-CD2 3.95Å; W259-L280 HydrophobicContact CZ2-CB 3.84Å; W259-T294 WeakPolarHBondContact CA-O 3.31Å; W259-C295 HydrophobicContact CD2-CB 4.11Å; W259-C295 HydrophobicContact CE3-CB 3.97Å; W259-C295 HydrophobicContact CH2-CB 3.88Å; W259-C295 HydrophobicContact CZ2-CB 4Å; W259-C295 HydrophobicContact CZ3-CB 3.84Å |
| 260 | E | 94.8 | Very high | 91.4 | Very high | 21 Ų | 21 | 65.9 Ų | 65.9 | 10% | 0.098 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 134.4 | 171.4 | -72.4 | 176.3 | -168.9 | 0 | 0 | 109.3 | R258 K264 I265 Y293 T294 I296 R305 | R258-E260 IonicContact CZ-OE1 2.89Å; R258-E260 VanDerWaalsContact CZ-OE1 3.3Å; R258-E260 IonicContact NE-OE1 3.85Å; R258-E260 PolarHBondContact NE-OE1 3.19Å; R258-E260 IonicContact NH2-OE1 2.78Å; R258-E260 PolarHBondContact NH2-OE1 3.35Å; E260-K264 CarbonylContact C-O 3.59Å; E260-K264 WeakPolarHBondContact CA-O 3.27Å; E260-I265 HydrophobicContact CG-CG1 4.17Å; E260-Y293 CarbonylContact O-C 3.58Å; E260-Y293 VanDerWaalsContact O-CA 3.31Å; E260-Y293 WeakPolarHBondContact O-CA 3.47Å; E260-T294 PolarHBondContact N-O 3.35Å; E260-T294 PolarHBondContact O-N 3.12Å; E260-I296 HydrophobicContact CG-CD1 3.94Å; E260-I296 WeakPolarHBondContact OE1-CD1 3.43Å; E260-I296 VanDerWaalsContact OE2-CD1 3.24Å; E260-I296 WeakPolarHBondContact OE2-CD1 3.29Å; E260-R305 IonicContact OE2-NH1 3.78Å |
| 261 | K | 94.1 | Very high | 91.5 | Very high | 45 Ų | 45 | 65.8 Ų | 65.8 | 20% | 0.196 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 120.3 | 169.3 | -176.6 | -169.8 | -169.7 | -77.8 | 0 | 107.4 | G263 K264 V266 E288 D289 T290 E292 Y293 | K261-G263 PolarHBondContact O-N 3.15Å; K261-G263 VanDerWaalsContact O-N 3.09Å; K261-K264 PolarHBondContact N-O 3.08Å; K261-K264 PolarHBondContact O-N 2.94Å; K261-V266 HydrophobicContact CB-CG2 3.67Å; K261-E288 PolarHBondContact NZ-O 2.06Å; K261-D289 VanDerWaalsContact CE-O 3.29Å; K261-D289 WeakPolarHBondContact CE-O 3.39Å; K261-T290 PolarHBondContact NZ-O 2.78Å; K261-E292 WeakPolarHBondContact CA-O 3.28Å; K261-Y293 HydrophobicContact CB-CD1 4.03Å; K261-Y293 HydrophobicContact CB-CE1 3.88Å; K261-Y293 HydrophobicContact CD-CE1 3.94Å; K261-Y293 HydrophobicContact CD-CE2 4.2Å; K261-Y293 WeakPolarHBondContact CD-OH 3.38Å; K261-Y293 VanDerWaalsContact CE-OH 3.22Å; K261-Y293 WeakPolarHBondContact CE-OH 3.47Å; K261-Y293 HydrophobicContact CG-CD1 4.27Å; K261-Y293 HydrophobicContact CG-CD2 4.48Å; K261-Y293 HydrophobicContact CG-CE1 3.9Å; K261-Y293 HydrophobicContact CG-CE2 4.11Å |
| 262 | D | 89.1 | Confident | 91.6 | Very high | 96 Ų | 96 | 68 Ų | 68 | 51% | 0.513 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 38.6 | 178.2 | -48.8 | -45.5 | 0 | 0 | 0 | 112.5 | K264 E292 | D262-K264 PolarHBondContact O-N 3.08Å; D262-E292 PolarHBondContact N-O 2.89Å; D262-E292 PolarHBondContact OD1-N 2.93Å |
| 263 | G | 89.6 | Confident | 91.5 | Very high | 58 Ų | 58 | 71.3 Ų | 71.3 | 60% | 0.598 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.3 | 0.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | K261 | K261-G263 PolarHBondContact O-N 3.15Å; K261-G263 VanDerWaalsContact O-N 3.09Å |
| 264 | K | 93.8 | Very high | 91.4 | Very high | 167 Ų | 167 | 72.8 Ų | 72.8 | 73% | 0.726 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 134.2 | 177.3 | -64.8 | 178.4 | -177.6 | 173.8 | 0 | 111 | E260 K261 D262 V266 | E260-K264 CarbonylContact C-O 3.59Å; E260-K264 WeakPolarHBondContact CA-O 3.27Å; K261-K264 PolarHBondContact N-O 3.08Å; K261-K264 PolarHBondContact O-N 2.94Å; D262-K264 PolarHBondContact O-N 3.08Å; K264-V266 PolarHBondContact O-N 3.1Å |
| 265 | I | 93.7 | Very high | 91.2 | Very high | 88 Ų | 88 | 74.4 Ų | 74.4 | 45% | 0.451 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 124 | 179 | -62 | 172.6 | 0 | 0 | 0 | 110.2 | W259 E260 | W259-I265 WeakPolarHBondContact O-CA 3.39Å; E260-I265 HydrophobicContact CG-CG1 4.17Å |
| 266 | V | 92.4 | Very high | 90.9 | Very high | 27 Ų | 27 | 74.4 Ų | 74.4 | 16% | 0.164 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -81 | 119.9 | 172.2 | -177.2 | 0 | 0 | 0 | 0 | 108.1 | W259 K261 K264 R272 L280 Y293 | W259-V266 HydrophobicContact CB-CB 4.02Å; W259-V266 HydrophobicContact CB-CG2 4.36Å; W259-V266 PolarHBondContact O-N 2.91Å; K261-V266 HydrophobicContact CB-CG2 3.67Å; K264-V266 PolarHBondContact O-N 3.1Å; V266-R272 HydrophobicContact CG1-CB 4.37Å; V266-R272 HydrophobicContact CG1-CG 4.24Å; V266-L280 HydrophobicContact CG1-CD1 4.43Å; V266-L280 HydrophobicContact CG1-CD2 4.13Å; V266-Y293 HydrophobicContact CG2-CD1 4.4Å; V266-Y293 HydrophobicContact CG2-CE1 4.36Å |
| 267 | R | 89.3 | Confident | 90.5 | Very high | 184 Ų | 184 | 76.3 Ų | 76.3 | 69% | 0.694 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -98.2 | 140.5 | 171.2 | -68.9 | -171.4 | 172.7 | 86.6 | -1.3 | 109.1 | D269 | R267-D269 PolarHBondContact O-N 2.83Š|
| 268 | P | 87.4 | Confident | 90.3 | Very high | 90 Ų | 90 | 75.1 Ų | 75.1 | 58% | 0.584 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 133.8 | 170.4 | -23.1 | 33.5 | 0 | 0 | 0 | 110.6 | R272 M274 | P268-R272 CarbonylContact C-O 3.53Å; P268-R272 VanDerWaalsContact CA-O 3.24Å; P268-R272 WeakPolarHBondContact CA-O 3.39Å; P268-M274 HydrophobicContact CG-CG 4.21Å |
| 269 | D | 90.2 | Very high | 90.2 | Very high | 71 Ų | 71 | 72.4 Ų | 72.4 | 38% | 0.38 | 40% | 0.398 | S | S | . | . | trans | -142.4 | -165.2 | 177.6 | 66.5 | 22.7 | 0 | 0 | 0 | 109.5 | R267 Q271 R272 | R267-D269 PolarHBondContact O-N 2.83Å; D269-Q271 PolarHBondContact O-N 3.24Å; D269-Q271 WeakPolarHBondContact OD1-CA 3.5Å; D269-Q271 WeakPolarHBondContact OD1-CB 3.49Å; D269-Q271 PolarHBondContact OD1-N 3.39Å; D269-R272 PolarHBondContact N-O 2.82Å; D269-R272 WeakPolarHBondContact OD1-CD 3.35Å; D269-R272 PolarHBondContact OD1-N 3.32Å; D269-R272 IonicContact OD1-NH1 3.99Å; D269-R272 VanDerWaalsContact OD2-CD 3.29Å; D269-R272 WeakPolarHBondContact OD2-CD 3.29Å; D269-R272 IonicContact OD2-CZ 2.9Å; D269-R272 IonicContact OD2-NE 3.23Å; D269-R272 IonicContact OD2-NH1 2.79Å; D269-R272 PolarHBondContact OD2-NH1 3.46Å | ||
| 270 | G | 87.2 | Confident | 90.2 | Very high | 69 Ų | 69 | 72.2 Ų | 72.2 | 71% | 0.711 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -62.3 | -30.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 271 | Q | 90.6 | Very high | 90.2 | Very high | 50 Ų | 50 | 73.7 Ų | 73.7 | 23% | 0.234 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -95.2 | -31.5 | -177 | -161.5 | -170.8 | 0.2 | 0 | 0 | 112.1 | D269 I282 I283 S284 D289 | D269-Q271 PolarHBondContact O-N 3.24Å; D269-Q271 WeakPolarHBondContact OD1-CA 3.5Å; D269-Q271 WeakPolarHBondContact OD1-CB 3.49Å; D269-Q271 PolarHBondContact OD1-N 3.39Å; Q271-I282 CarbonylContact O-C 3.54Å; Q271-I282 WeakPolarHBondContact O-CA 3.47Å; Q271-I283 WeakPolarHBondContact CG-O 3.25Å; Q271-I283 PolarHBondContact O-N 2.88Å; Q271-S284 PolarHBondContact NE2-O 3.1Å; Q271-D289 PolarHBondContact NE2-OD2 3.26Å |
| 272 | R | 92.8 | Very high | 90.3 | Very high | 62 Ų | 62 | 71.5 Ų | 71.5 | 23% | 0.234 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 118.8 | -178.2 | -63.6 | 99.5 | -175.1 | 172.9 | 9.5 | 111 | V266 P268 D269 L280 M281 I282 D289 | V266-R272 HydrophobicContact CG1-CB 4.37Å; V266-R272 HydrophobicContact CG1-CG 4.24Å; P268-R272 CarbonylContact C-O 3.53Å; P268-R272 VanDerWaalsContact CA-O 3.24Å; P268-R272 WeakPolarHBondContact CA-O 3.39Å; D269-R272 PolarHBondContact N-O 2.82Å; D269-R272 WeakPolarHBondContact OD1-CD 3.35Å; D269-R272 PolarHBondContact OD1-N 3.32Å; D269-R272 IonicContact OD1-NH1 3.99Å; D269-R272 VanDerWaalsContact OD2-CD 3.29Å; D269-R272 WeakPolarHBondContact OD2-CD 3.29Å; D269-R272 IonicContact OD2-CZ 2.9Å; D269-R272 IonicContact OD2-NE 3.23Å; D269-R272 IonicContact OD2-NH1 2.79Å; D269-R272 PolarHBondContact OD2-NH1 3.46Å; R272-L280 HydrophobicContact CB-CD1 4.19Å; R272-M281 CarbonylContact C-O 3.37Å; R272-M281 VanDerWaalsContact CA-O 3.32Å; R272-M281 WeakPolarHBondContact CA-O 3.3Å; R272-I282 HydrophobicContact CG-CG1 4.3Å; R272-D289 IonicContact CZ-OD1 3.96Å; R272-D289 IonicContact NE-OD1 2.67Å; R272-D289 IonicContact NH2-OD1 3.77Å; R272-D289 PolarHBondContact NH2-OD1 2.86Å |
| 273 | K | 91.1 | Very high | 90.5 | Very high | 110 Ų | 110 | 69.3 Ų | 69.3 | 48% | 0.478 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 144.7 | 179.8 | -63.1 | -169.7 | -174.4 | 174.4 | 0 | 111.9 | M281 I283 | K273-M281 PolarHBondContact N-O 2.83Å; K273-M281 PolarHBondContact O-N 3.11Å; K273-I283 HydrophobicContact CD-CD1 3.74Å; K273-I283 HydrophobicContact CG-CD1 4.03Å |
| 274 | M | 90.9 | Very high | 90.8 | Very high | 74 Ų | 74 | 69.5 Ų | 69.5 | 37% | 0.365 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 115.3 | 168.1 | -63.7 | -59.2 | -59.6 | 0 | 0 | 108.6 | L257 P268 S276 D279 L280 | L257-M274 HydrophobicContact CD2-CE 4.13Å; P268-M274 HydrophobicContact CG-CG 4.21Å; M274-S276 WeakPolarHBondContact CE-O 3.34Å; M274-D279 WeakPolarHBondContact CA-O 3.42Å; M274-L280 HydrophobicContact SD-CB 4.44Å; M274-L280 HydrophobicContact SD-CD1 4.01Å |
| 275 | V | 86.4 | Confident | 90.8 | Very high | 91 Ų | 91 | 61.6 Ų | 61.6 | 55% | 0.552 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -85 | -32.5 | 179.1 | 177 | 0 | 0 | 0 | 0 | 111.1 | D279 M281 | V275-D279 PolarHBondContact N-O 2.64Å; V275-M281 HydrophobicContact CG2-CB 3.36Å; V275-M281 HydrophobicContact CG2-CG 4.16Å; V275-M281 HydrophobicContact CG2-SD 3.75Å |
| 276 | S | 84.8 | Confident | 90.9 | Very high | 33 Ų | 33 | 59.8 Ų | 59.8 | 23% | 0.231 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -131.7 | 173.9 | 171.9 | 73.3 | 0 | 0 | 0 | 0 | 108.2 | M274 S278 D279 | M274-S276 WeakPolarHBondContact CE-O 3.34Å; S276-S278 PolarHBondContact O-N 3.4Å; S276-S278 PolarHBondContact OG-N 2.78Å; S276-S278 PolarHBondContact OG-OG 3.02Å; S276-D279 VanDerWaalsContact OG-CB 3.3Å; S276-D279 WeakPolarHBondContact OG-CB 3.28Å; S276-D279 PolarHBondContact OG-N 3.08Å; S276-D279 PolarHBondContact OG-OD2 3.27Å |
| 277 | P | 82.4 | Confident | 90.9 | Very high | 123 Ų | 123 | 63.2 Ų | 63.2 | 80% | 0.799 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -54.9 | -16.7 | 173.5 | -24.7 | 34.4 | 0 | 0 | 0 | 113.6 | ||
| 278 | S | 87.7 | Confident | 91.1 | Very high | 21 Ų | 21 | 62.6 Ų | 62.6 | 15% | 0.147 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -118.6 | -32 | -176.9 | 60.7 | 0 | 0 | 0 | 0 | 115.5 | C246 L257 W259 S276 | C246-S278 VanDerWaalsContact CB-O 3.23Å; C246-S278 WeakPolarHBondContact CB-O 3.38Å; C246-S278 WeakPolarHBondContact O-CB 3.25Å; C246-S278 PolarHBondContact O-OG 3.45Å; L257-S278 VanDerWaalsContact CD1-CA 3.46Å; L257-S278 VanDerWaalsContact CD1-CB 3.5Å; W259-S278 WeakPolarHBondContact CZ2-O 3.43Å; W259-S278 PolarHBondContact NE1-O 2.84Å; S276-S278 PolarHBondContact O-N 3.4Å; S276-S278 PolarHBondContact OG-N 2.78Å; S276-S278 PolarHBondContact OG-OG 3.02Å |
| 279 | D | 91.3 | Very high | 91.4 | Very high | 34 Ų | 34 | 58.4 Ų | 58.4 | 18% | 0.182 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -94 | 133.5 | -168.2 | -54.7 | -37.1 | 0 | 0 | 0 | 112.7 | V243 L244 K245 C246 M274 V275 S276 | V243-D279 HydrophobicContact CG1-CB 4.01Å; L244-D279 WeakPolarHBondContact O-CA 3.45Å; K245-D279 VanDerWaalsContact CA-OD1 3.28Å; K245-D279 WeakPolarHBondContact CA-OD1 3.47Å; C246-D279 PolarHBondContact N-OD1 3.06Å; M274-D279 WeakPolarHBondContact CA-O 3.42Å; V275-D279 PolarHBondContact N-O 2.64Å; S276-D279 VanDerWaalsContact OG-CB 3.3Å; S276-D279 WeakPolarHBondContact OG-CB 3.28Å; S276-D279 PolarHBondContact OG-N 3.08Å; S276-D279 PolarHBondContact OG-OD2 3.27Å |
| 280 | L | 93.9 | Very high | 91.6 | Very high | 3 Ų | 3 | 57.4 Ų | 57.4 | 2% | 0.016 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 122.9 | -180 | 179.4 | 67.8 | 0 | 0 | 0 | 110.1 | V243 L244 W259 V266 R272 M274 Y293 | V243-L280 CarbonylContact C-O 3.48Å; V243-L280 WeakPolarHBondContact CA-O 3.3Å; L244-L280 HydrophobicContact CB-CB 4.43Å; L244-L280 HydrophobicContact CD1-CD2 4.37Å; L244-L280 PolarHBondContact N-O 3.02Å; L244-L280 PolarHBondContact O-N 3.41Å; W259-L280 HydrophobicContact CB-CD2 4.18Å; W259-L280 HydrophobicContact CD2-CB 3.91Å; W259-L280 HydrophobicContact CD2-CD2 3.95Å; W259-L280 HydrophobicContact CE3-CD2 4.22Å; W259-L280 HydrophobicContact CG-CB 4.15Å; W259-L280 HydrophobicContact CG-CD2 3.95Å; W259-L280 HydrophobicContact CZ2-CB 3.84Å; V266-L280 HydrophobicContact CG1-CD1 4.43Å; V266-L280 HydrophobicContact CG1-CD2 4.13Å; R272-L280 HydrophobicContact CB-CD1 4.19Å; M274-L280 HydrophobicContact SD-CB 4.44Å; M274-L280 HydrophobicContact SD-CD1 4.01Å; L280-Y293 HydrophobicContact CD2-CD1 3.96Å; L280-Y293 HydrophobicContact CD2-CE1 4.19Å |
| 281 | M | 95.4 | Very high | 91.9 | Very high | 51 Ų | 51 | 54.6 Ų | 54.6 | 25% | 0.251 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 131.2 | 172.1 | -180 | 178.7 | -173 | 0 | 0 | 110.6 | V242 V243 R272 K273 V275 I283 | V242-M281 CarbonylContact O-C 3.55Å; V242-M281 VanDerWaalsContact O-CA 3.32Å; V242-M281 WeakPolarHBondContact O-CA 3.48Å; V243-M281 HydrophobicContact CG2-CB 4.13Å; V243-M281 HydrophobicContact CG2-CG 4.07Å; R272-M281 CarbonylContact C-O 3.37Å; R272-M281 VanDerWaalsContact CA-O 3.32Å; R272-M281 WeakPolarHBondContact CA-O 3.3Å; K273-M281 PolarHBondContact N-O 2.83Å; K273-M281 PolarHBondContact O-N 3.11Å; V275-M281 HydrophobicContact CG2-CB 3.36Å; V275-M281 HydrophobicContact CG2-CG 4.16Å; V275-M281 HydrophobicContact CG2-SD 3.75Å; M281-I283 HydrophobicContact CE-CG1 4.2Å; M281-I283 HydrophobicContact CG-CG1 4.29Å; M281-I283 HydrophobicContact SD-CG1 4.4Å |
| 282 | I | 95.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 116 | 170.1 | -58.8 | 163.1 | 0 | 0 | 0 | 106.6 | S241 V242 L244 Q271 R272 A285 D289 Y293 L310 | S241-I282 CarbonylContact C-O 3.58Å; S241-I282 VanDerWaalsContact CA-O 3.23Å; S241-I282 WeakPolarHBondContact CA-O 3.45Å; V242-I282 HydrophobicContact CG1-CB 3.91Å; V242-I282 HydrophobicContact CG1-CD1 4.32Å; V242-I282 PolarHBondContact N-O 3.39Å; V242-I282 PolarHBondContact O-N 3.32Å; L244-I282 HydrophobicContact CD1-CD1 4.03Å; Q271-I282 CarbonylContact O-C 3.54Å; Q271-I282 WeakPolarHBondContact O-CA 3.47Å; R272-I282 HydrophobicContact CG-CG1 4.3Å; I282-A285 HydrophobicContact CG2-CB 4.41Å; I282-D289 HydrophobicContact CG2-CB 4.47Å; I282-Y293 HydrophobicContact CD1-CE1 3.89Å; I282-Y293 HydrophobicContact CD1-CE2 4.24Å; I282-Y293 WeakPolarHBondContact CD1-OH 3.11Å; I282-L310 HydrophobicContact CD1-CD2 3.57Å |
| 283 | I | 94.9 | Very high | 92.2 | Very high | 50 Ų | 50 | 52.7 Ų | 52.7 | 26% | 0.256 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -86 | 131.7 | 179.9 | -59.5 | 170.1 | 0 | 0 | 0 | 108 | S241 Q271 K273 M281 | S241-I283 WeakPolarHBondContact OG-CA 3.38Å; Q271-I283 WeakPolarHBondContact CG-O 3.25Å; Q271-I283 PolarHBondContact O-N 2.88Å; K273-I283 HydrophobicContact CD-CD1 3.74Å; K273-I283 HydrophobicContact CG-CD1 4.03Å; M281-I283 HydrophobicContact CE-CG1 4.2Å; M281-I283 HydrophobicContact CG-CG1 4.29Å; M281-I283 HydrophobicContact SD-CG1 4.4Å |
| 284 | S | 94.4 | Very high | 92.2 | Very high | 62 Ų | 62 | 47.9 Ų | 47.9 | 43% | 0.434 | 27% | 0.268 | S | S | . | . | S | Bend | trans | 50.7 | 67.7 | 178.8 | -175 | 0 | 0 | 0 | 0 | 112.4 | S241 Q271 | S241-S284 PolarHBondContact OG-N 2.85Å; Q271-S284 PolarHBondContact NE2-O 3.1Å |
| 285 | A | 94.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.25 | C | S | . | . | trans | -58.5 | 139.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T236 V238 G239 Q240 V242 I282 V312 | T236-A285 HydrophobicContact CG2-CB 3.82Å; V238-A285 CarbonylContact C-O 3.58Å; V238-A285 WeakPolarHBondContact CA-O 3.5Å; G239-A285 PolarHBondContact N-O 3.44Å; Q240-A285 WeakPolarHBondContact O-CB 3.49Å; Q240-A285 PolarHBondContact O-N 2.99Å; V242-A285 HydrophobicContact CG1-CB 4.5Å; I282-A285 HydrophobicContact CG2-CB 4.41Å; A285-V312 HydrophobicContact CB-CG1 4.11Å; A285-V312 HydrophobicContact CB-CG2 4.14Å | ||
| 286 | T | 94.6 | Very high | 92.6 | Very high | 51 Ų | 51 | 40 Ų | 40 | 31% | 0.313 | 22% | 0.224 | S | C | . | . | trans | -111.9 | 162.9 | 175.9 | 63.4 | 0 | 0 | 0 | 0 | 110.1 | E288 D289 V312 | T286-E288 PolarHBondContact O-N 2.83Å; T286-D289 PolarHBondContact N-OD2 2.9Å; T286-D289 WeakPolarHBondContact O-CB 3.42Å; T286-D289 PolarHBondContact O-N 2.87Å; T286-D289 PolarHBondContact OG1-OD2 3.4Å; T286-V312 WeakPolarHBondContact O-CB 3.13Å; T286-V312 WeakPolarHBondContact O-CG1 3.2Å; T286-V312 WeakPolarHBondContact O-CG2 3.1Å | ||
| 287 | E | 93 | Very high | 92.9 | Very high | 99 Ų | 99 | 38.5 Ų | 38.5 | 46% | 0.463 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -58 | -31.9 | 177.4 | -66.8 | -170.4 | 156.8 | 0 | 0 | 112.7 | V238 D289 T290 Q314 | V238-E287 HydrophobicContact CG2-CG 3.85Å; E287-D289 PolarHBondContact O-N 3.44Å; E287-T290 WeakPolarHBondContact O-CB 3.33Å; E287-T290 PolarHBondContact O-N 2.72Å; E287-T290 VanDerWaalsContact O-N 3.12Å; E287-T290 PolarHBondContact O-OG1 2.75Å; E287-Q314 VanDerWaalsContact OE1-CD 3.28Å; E287-Q314 VanDerWaalsContact OE1-CG 3.23Å; E287-Q314 WeakPolarHBondContact OE1-CG 3.46Å; E287-Q314 PolarHBondContact OE1-NE2 2.68Å |
| 288 | E | 92.7 | Very high | 93.3 | Very high | 170 Ų | 170 | 37.8 Ų | 37.8 | 79% | 0.794 | 19% | 0.194 | S | C | * | . | G | 310 helix | trans | -66.1 | -23 | 176.9 | -60.1 | -179.2 | -172.7 | 0 | 0 | 113.5 | K261 T286 T290 | K261-E288 PolarHBondContact NZ-O 2.06Å; T286-E288 PolarHBondContact O-N 2.83Å; E288-T290 PolarHBondContact O-N 3.22Å |
| 289 | D | 94.1 | Very high | 93.5 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.011 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -72.8 | -13.3 | 176.1 | -65.3 | -58.4 | 0 | 0 | 0 | 111.8 | K261 Q271 R272 I282 T286 E287 Y293 L310 V312 | K261-D289 VanDerWaalsContact CE-O 3.29Å; K261-D289 WeakPolarHBondContact CE-O 3.39Å; Q271-D289 PolarHBondContact NE2-OD2 3.26Å; R272-D289 IonicContact CZ-OD1 3.96Å; R272-D289 IonicContact NE-OD1 2.67Å; R272-D289 IonicContact NH2-OD1 3.77Å; R272-D289 PolarHBondContact NH2-OD1 2.86Å; I282-D289 HydrophobicContact CG2-CB 4.47Å; T286-D289 PolarHBondContact N-OD2 2.9Å; T286-D289 WeakPolarHBondContact O-CB 3.42Å; T286-D289 PolarHBondContact O-N 2.87Å; T286-D289 PolarHBondContact OG1-OD2 3.4Å; E287-D289 PolarHBondContact O-N 3.44Å; D289-Y293 WeakPolarHBondContact O-CE2 3.01Å; D289-Y293 PolarHBondContact O-OH 3.41Å; D289-L310 HydrophobicContact CB-CD2 4.35Å; D289-V312 HydrophobicContact CB-CG2 4.34Å |
| 290 | T | 95.2 | Very high | 93.5 | Very high | 51 Ų | 51 | 40.4 Ų | 40.4 | 31% | 0.313 | 21% | 0.21 | S | C | . | . | trans | -56.2 | 136.4 | 171 | -60.2 | 0 | 0 | 0 | 0 | 110.5 | K261 E287 E288 L310 V312 | K261-T290 PolarHBondContact NZ-O 2.78Å; E287-T290 WeakPolarHBondContact O-CB 3.33Å; E287-T290 PolarHBondContact O-N 2.72Å; E287-T290 VanDerWaalsContact O-N 3.12Å; E287-T290 PolarHBondContact O-OG1 2.75Å; E288-T290 PolarHBondContact O-N 3.22Å; T290-L310 WeakPolarHBondContact CA-O 3.22Å; T290-L310 WeakPolarHBondContact CG2-O 3.43Å; T290-V312 PolarHBondContact OG1-N 3.32Å; T290-V312 VanDerWaalsContact OG1-N 3.12Å | ||
| 291 | G | 93.9 | Very high | 93.2 | Very high | 10 Ų | 10 | 43.1 Ų | 43.1 | 10% | 0.103 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 155.1 | -172.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | H309 L310 | G291-H309 PolarHBondContact O-ND1 3.45Å; G291-L310 PolarHBondContact N-O 3.1Å; G291-L310 VanDerWaalsContact N-O 3.09Å; G291-L310 PolarHBondContact O-N 3.29Å |
| 292 | E | 94 | Very high | 93 | Very high | 70 Ų | 70 | 42.2 Ų | 42.2 | 33% | 0.327 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 112.6 | 177.6 | -170.1 | 178.1 | -80.9 | 0 | 0 | 110.8 | K261 D262 Y307 | K261-E292 WeakPolarHBondContact CA-O 3.28Å; D262-E292 PolarHBondContact N-O 2.89Å; D262-E292 PolarHBondContact OD1-N 2.93Å; E292-Y307 HydrophobicContact CG-CD1 4.44Å; E292-Y307 WeakPolarHBondContact OE2-CD1 3.35Å |
| 293 | Y | 94 | Very high | 92.8 | Very high | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.008 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 115.8 | 173.3 | -69.7 | -99.7 | 0 | 0 | 0 | 110 | L244 E260 K261 V266 L280 I282 D289 N308 L310 | L244-Y293 HydrophobicContact CD1-CD1 3.61Å; L244-Y293 HydrophobicContact CD1-CD2 3.66Å; L244-Y293 HydrophobicContact CD1-CE1 4.12Å; L244-Y293 HydrophobicContact CD1-CE2 4.16Å; L244-Y293 HydrophobicContact CD1-CG 3.35Å; E260-Y293 CarbonylContact O-C 3.58Å; E260-Y293 VanDerWaalsContact O-CA 3.31Å; E260-Y293 WeakPolarHBondContact O-CA 3.47Å; K261-Y293 HydrophobicContact CB-CD1 4.03Å; K261-Y293 HydrophobicContact CB-CE1 3.88Å; K261-Y293 HydrophobicContact CD-CE1 3.94Å; K261-Y293 HydrophobicContact CD-CE2 4.2Å; K261-Y293 WeakPolarHBondContact CD-OH 3.38Å; K261-Y293 VanDerWaalsContact CE-OH 3.22Å; K261-Y293 WeakPolarHBondContact CE-OH 3.47Å; K261-Y293 HydrophobicContact CG-CD1 4.27Å; K261-Y293 HydrophobicContact CG-CD2 4.48Å; K261-Y293 HydrophobicContact CG-CE1 3.9Å; K261-Y293 HydrophobicContact CG-CE2 4.11Å; V266-Y293 HydrophobicContact CG2-CD1 4.4Å; V266-Y293 HydrophobicContact CG2-CE1 4.36Å; L280-Y293 HydrophobicContact CD2-CD1 3.96Å; L280-Y293 HydrophobicContact CD2-CE1 4.19Å; I282-Y293 HydrophobicContact CD1-CE1 3.89Å; I282-Y293 HydrophobicContact CD1-CE2 4.24Å; I282-Y293 WeakPolarHBondContact CD1-OH 3.11Å; D289-Y293 WeakPolarHBondContact O-CE2 3.01Å; D289-Y293 PolarHBondContact O-OH 3.41Å; Y293-N308 PolarHBondContact N-O 3.21Å; Y293-N308 PolarHBondContact O-N 3.48Å; Y293-L310 HydrophobicContact CD2-CB 3.96Å; Y293-L310 HydrophobicContact CE2-CB 3.83Å; Y293-L310 HydrophobicContact CE2-CD2 3.83Å; Y293-L310 HydrophobicContact CE2-CG 4.47Å |
| 294 | T | 93 | Very high | 92.5 | Very high | 9 Ų | 9 | 47.3 Ų | 47.3 | 6% | 0.055 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 119.2 | 176.2 | -55.7 | 0 | 0 | 0 | 0 | 110.2 | W259 E260 I296 R305 F306 Y307 | W259-T294 WeakPolarHBondContact CA-O 3.31Å; E260-T294 PolarHBondContact N-O 3.35Å; E260-T294 PolarHBondContact O-N 3.12Å; T294-I296 HydrophobicContact CG2-CD1 4.47Å; T294-I296 HydrophobicContact CG2-CG1 3.83Å; T294-R305 HydrophobicContact CG2-CB 3.92Å; T294-R305 HydrophobicContact CG2-CG 4.34Å; T294-F306 CarbonylContact C-O 3.44Å; T294-F306 WeakPolarHBondContact CA-O 3.46Å; T294-Y307 HydrophobicContact CG2-CD1 4.07Å; T294-Y307 HydrophobicContact CG2-CE1 3.92Å; T294-Y307 WeakPolarHBondContact OG1-CD1 3.32Å |
| 295 | C | 91.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 123.3 | 165.6 | 179.2 | 0 | 0 | 0 | 0 | 109.2 | C246 L257 W259 R305 F306 | C246-C295 HydrophobicContact CB-CB 3.59Å; C246-C295 WeakPolarHBondContact CB-SG 3.4Å; C246-C295 WeakPolarHBondContact SG-CB 3.43Å; C246-C295 CovalentContact SG-SG 2.02Å; C246-C295 PolarHBondContact SG-SG 2.87Å; L257-C295 VanDerWaalsContact CD1-SG 3.53Å; W259-C295 HydrophobicContact CD2-CB 4.11Å; W259-C295 HydrophobicContact CE3-CB 3.97Å; W259-C295 HydrophobicContact CH2-CB 3.88Å; W259-C295 HydrophobicContact CZ2-CB 4Å; W259-C295 HydrophobicContact CZ3-CB 3.84Å; C295-R305 CarbonylContact O-C 3.56Å; C295-R305 WeakPolarHBondContact O-CA 3.41Å; C295-F306 HydrophobicContact CB-CB 4.26Å; C295-F306 HydrophobicContact CB-CD2 4.44Å; C295-F306 PolarHBondContact N-O 3.45Å; C295-F306 PolarHBondContact O-N 3.05Å |
| 296 | I | 91.9 | Very high | 92 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 115.3 | -179.3 | -54.7 | 176.3 | 0 | 0 | 0 | 108.5 | L257 R258 E260 T294 E303 R304 R305 | L257-I296 CarbonylContact C-O 3.59Å; L257-I296 WeakPolarHBondContact CA-O 3.16Å; R258-I296 HydrophobicContact CG-CB 3.93Å; R258-I296 PolarHBondContact N-O 3.29Å; R258-I296 PolarHBondContact O-N 3.41Å; E260-I296 HydrophobicContact CG-CD1 3.94Å; E260-I296 WeakPolarHBondContact OE1-CD1 3.43Å; E260-I296 VanDerWaalsContact OE2-CD1 3.24Å; E260-I296 WeakPolarHBondContact OE2-CD1 3.29Å; T294-I296 HydrophobicContact CG2-CD1 4.47Å; T294-I296 HydrophobicContact CG2-CG1 3.83Å; I296-E303 HydrophobicContact CG2-CB 4.35Å; I296-R304 CarbonylContact C-O 3.59Å; I296-R304 WeakPolarHBondContact CA-O 3.34Å; I296-R305 VanDerWaalsContact CD1-NH1 3.31Å; I296-R305 HydrophobicContact CG1-CG 4.26Å |
| 297 | V | 91.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 128.5 | -179.9 | -176.5 | 0 | 0 | 0 | 0 | 109.3 | S248 P249 P255 N256 L257 E303 R304 F306 | S248-V297 WeakPolarHBondContact OG-CG1 3.36Å; P249-V297 HydrophobicContact CG-CB 4.16Å; P249-V297 HydrophobicContact CG-CG1 3.85Å; P255-V297 HydrophobicContact CB-CG1 3.49Å; P255-V297 VanDerWaalsContact CB-CG1 3.49Å; P255-V297 HydrophobicContact CG-CG1 3.73Å; N256-V297 CarbonylContact O-C 3.58Å; N256-V297 VanDerWaalsContact O-CA 3.27Å; N256-V297 WeakPolarHBondContact O-CA 3.31Å; L257-V297 HydrophobicContact CB-CG2 4.49Å; L257-V297 HydrophobicContact CD1-CG2 3.81Å; L257-V297 HydrophobicContact CG-CG2 4.1Å; V297-E303 CarbonylContact O-C 3.47Å; V297-E303 VanDerWaalsContact O-CA 3.28Å; V297-E303 WeakPolarHBondContact O-CA 3.22Å; V297-R304 PolarHBondContact N-O 2.89Å; V297-R304 PolarHBondContact O-N 3.45Å; V297-F306 HydrophobicContact CB-CE2 4.34Å; V297-F306 HydrophobicContact CG2-CD2 4.28Å; V297-F306 HydrophobicContact CG2-CE2 3.9Å |
| 298 | W | 92.1 | Very high | 91.7 | Very high | 108 Ų | 108 | 45.5 Ų | 45.5 | 41% | 0.409 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 151.6 | -172.7 | 70.3 | -79.7 | 0 | 0 | 0 | 113.9 | P255 N256 G302 E303 | P255-W298 CarbonylContact C-O 3.58Å; P255-W298 VanDerWaalsContact CA-O 3.29Å; P255-W298 WeakPolarHBondContact CA-O 3.27Å; P255-W298 WeakPolarHBondContact CB-O 3.33Å; N256-W298 HydrophobicContact CB-CD2 4.22Å; N256-W298 HydrophobicContact CB-CG 4.38Å; N256-W298 HydrophobicContact CB-CZ2 3.93Å; N256-W298 VanDerWaalsContact CB-NE1 3.33Å; N256-W298 PolarHBondContact N-O 2.88Å; N256-W298 WeakPolarHBondContact ND2-CZ2 3.37Å; N256-W298 PolarHBondContact O-N 2.95Å; W298-G302 CarbonylContact C-O 3.52Å; W298-G302 VanDerWaalsContact CA-O 3.25Å; W298-G302 WeakPolarHBondContact CA-O 3.49Å; W298-E303 HydrophobicContact CB-CB 3.8Å |
| 299 | N | 91.8 | Very high | 91.8 | Very high | 11 Ų | 11 | 40.9 Ų | 40.9 | 6% | 0.059 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | -167.8 | 167.9 | 71.9 | 3.2 | 0 | 0 | 0 | 109.8 | Y222 P253 P255 V301 G302 | Y222-N299 PolarHBondContact O-ND2 2.89Å; P253-N299 PolarHBondContact O-ND2 3.18Å; P255-N299 HydrophobicContact CB-CB 4.28Å; N299-V301 PolarHBondContact O-N 2.95Å; N299-V301 VanDerWaalsContact O-N 3.08Å; N299-V301 VanDerWaalsContact OD1-CB 3.28Å; N299-V301 WeakPolarHBondContact OD1-CB 3.49Å; N299-V301 PolarHBondContact OD1-N 3.38Å; N299-G302 PolarHBondContact N-O 2.9Å; N299-G302 PolarHBondContact O-N 3.5Å; N299-G302 VanDerWaalsContact O-N 3.08Å |
| 300 | V | 90 | Very high | 91.8 | Very high | 99 Ų | 99 | 40.8 Ų | 40.8 | 60% | 0.6 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -17.7 | -179.4 | -59.2 | 0 | 0 | 0 | 0 | 114.5 | V221 | V221-V300 HydrophobicContact CB-CG2 3.81Å; V221-V300 HydrophobicContact CG1-CG2 3.93Å; V221-V300 HydrophobicContact CG2-CG2 3.86Å |
| 301 | V | 89 | Confident | 91.9 | Very high | 61 Ų | 61 | 40.4 Ų | 40.4 | 37% | 0.37 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -29.1 | 178 | -177.4 | 0 | 0 | 0 | 0 | 111.4 | V221 L223 N299 | V221-V301 HydrophobicContact CB-CG2 3.85Å; V221-V301 HydrophobicContact CG2-CG2 3.66Å; L223-V301 HydrophobicContact CB-CB 4.36Å; N299-V301 PolarHBondContact O-N 2.95Å; N299-V301 VanDerWaalsContact O-N 3.08Å; N299-V301 VanDerWaalsContact OD1-CB 3.28Å; N299-V301 WeakPolarHBondContact OD1-CB 3.49Å; N299-V301 PolarHBondContact OD1-N 3.38Å |
| 302 | G | 90.5 | Very high | 91.9 | Very high | 31 Ų | 31 | 40.4 Ų | 40.4 | 32% | 0.32 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 150.4 | -159 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L223 W298 N299 | L223-G302 WeakPolarHBondContact CD2-O 3.27Å; W298-G302 CarbonylContact C-O 3.52Å; W298-G302 VanDerWaalsContact CA-O 3.25Å; W298-G302 WeakPolarHBondContact CA-O 3.49Å; N299-G302 PolarHBondContact N-O 2.9Å; N299-G302 PolarHBondContact O-N 3.5Å; N299-G302 VanDerWaalsContact O-N 3.08Å |
| 303 | E | 90.9 | Very high | 91.9 | Very high | 84 Ų | 84 | 42.1 Ų | 42.1 | 39% | 0.393 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 159.6 | -178.5 | 65.4 | 174 | -139.6 | 0 | 0 | 113.3 | I296 V297 W298 R305 | I296-E303 HydrophobicContact CG2-CB 4.35Å; V297-E303 CarbonylContact O-C 3.47Å; V297-E303 VanDerWaalsContact O-CA 3.28Å; V297-E303 WeakPolarHBondContact O-CA 3.22Å; W298-E303 HydrophobicContact CB-CB 3.8Å; E303-R305 IonicContact OE1-CZ 3.86Å; E303-R305 VanDerWaalsContact OE1-CZ 3.28Å; E303-R305 IonicContact OE1-NE 2.96Å; E303-R305 PolarHBondContact OE1-NE 2.83Å; E303-R305 IonicContact OE1-NH2 3.3Å; E303-R305 PolarHBondContact OE1-NH2 3.16Å; E303-R305 IonicContact OE2-NH2 2.82Å |
| 304 | R | 89.5 | Confident | 91.5 | Very high | 74 Ų | 74 | 47.9 Ų | 47.9 | 28% | 0.279 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 143.2 | 173.1 | -62.6 | -66.5 | -179.4 | -91.4 | -2.7 | 108.7 | L223 P249 I296 V297 F306 | L223-R304 HydrophobicContact CD2-CG 3.7Å; L223-R304 HydrophobicContact CG-CG 4.04Å; L223-R304 PolarHBondContact O-NH2 3.34Å; P249-R304 HydrophobicContact CG-CB 4.28Å; P249-R304 HydrophobicContact CG-CG 4.18Å; I296-R304 CarbonylContact C-O 3.59Å; I296-R304 WeakPolarHBondContact CA-O 3.34Å; V297-R304 PolarHBondContact N-O 2.89Å; V297-R304 PolarHBondContact O-N 3.45Å; R304-F306 HydrophobicContact CB-CE1 4.3Å; R304-F306 HydrophobicContact CB-CE2 4.14Å; R304-F306 HydrophobicContact CB-CZ 3.63Å |
| 305 | R | 90.1 | Very high | 90.8 | Very high | 80 Ų | 80 | 51 Ų | 51 | 30% | 0.302 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 134.6 | -175.2 | -61.1 | -176.5 | 172.2 | -107.6 | -5.5 | 110 | E260 T294 C295 I296 E303 Y307 | E260-R305 IonicContact OE2-NH1 3.78Å; T294-R305 HydrophobicContact CG2-CB 3.92Å; T294-R305 HydrophobicContact CG2-CG 4.34Å; C295-R305 CarbonylContact O-C 3.56Å; C295-R305 WeakPolarHBondContact O-CA 3.41Å; I296-R305 VanDerWaalsContact CD1-NH1 3.31Å; I296-R305 HydrophobicContact CG1-CG 4.26Å; E303-R305 IonicContact OE1-CZ 3.86Å; E303-R305 VanDerWaalsContact OE1-CZ 3.28Å; E303-R305 IonicContact OE1-NE 2.96Å; E303-R305 PolarHBondContact OE1-NE 2.83Å; E303-R305 IonicContact OE1-NH2 3.3Å; E303-R305 PolarHBondContact OE1-NH2 3.16Å; E303-R305 IonicContact OE2-NH2 2.82Å; R305-Y307 HydrophobicContact CB-CE2 4.17Å |
| 306 | F | 87.9 | Confident | 89.8 | Confident | 12 Ų | 12 | 59.5 Ų | 59.5 | 5% | 0.053 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 118.5 | 177.5 | -51 | -54.9 | 0 | 0 | 0 | 110.5 | F227 P249 T294 C295 V297 R304 | F227-F306 HydrophobicContact CB-CE1 3.88Å; F227-F306 HydrophobicContact CB-CZ 3.94Å; F227-F306 AromaticContact CD1-CD1 3.2Å; F227-F306 HydrophobicContact CD1-CD1 3.2Å; F227-F306 HydrophobicContact CD1-CD2 4.43Å; F227-F306 AromaticContact CD1-CE1 2.75Å; F227-F306 HydrophobicContact CD1-CE1 2.75Å; F227-F306 HydrophobicContact CD1-CE2 4.06Å; F227-F306 HydrophobicContact CD1-CG 4.04Å; F227-F306 AromaticContact CD1-CZ 3.21Å; F227-F306 HydrophobicContact CD1-CZ 3.21Å; F227-F306 AromaticContact CD2-CE1 3.94Å; F227-F306 HydrophobicContact CD2-CE1 3.94Å; F227-F306 HydrophobicContact CD2-CE2 4Å; F227-F306 AromaticContact CD2-CZ 3.43Å; F227-F306 HydrophobicContact CD2-CZ 3.43Å; F227-F306 VanDerWaalsContact CD2-CZ 3.43Å; F227-F306 HydrophobicContact CE1-CB 4.3Å; F227-F306 AromaticContact CE1-CD1 2.9Å; F227-F306 HydrophobicContact CE1-CD1 2.9Å; F227-F306 AromaticContact CE1-CD2 3.71Å; F227-F306 HydrophobicContact CE1-CD2 3.71Å; F227-F306 AromaticContact CE1-CE1 2.97Å; F227-F306 HydrophobicContact CE1-CE1 2.97Å; F227-F306 AromaticContact CE1-CE2 3.69Å; F227-F306 HydrophobicContact CE1-CE2 3.69Å; F227-F306 AromaticContact CE1-CG 3.32Å; F227-F306 HydrophobicContact CE1-CG 3.32Å; F227-F306 AromaticContact CE1-CZ 3.31Å; F227-F306 HydrophobicContact CE1-CZ 3.31Å; F227-F306 HydrophobicContact CE2-CD2 4.16Å; F227-F306 HydrophobicContact CE2-CE1 4.05Å; F227-F306 AromaticContact CE2-CE2 3.56Å; F227-F306 HydrophobicContact CE2-CE2 3.56Å; F227-F306 AromaticContact CE2-CZ 3.47Å; F227-F306 HydrophobicContact CE2-CZ 3.47Å; F227-F306 VanDerWaalsContact CE2-CZ 3.47Å; F227-F306 HydrophobicContact CG-CD1 4.09Å; F227-F306 AromaticContact CG-CE1 3.22Å; F227-F306 HydrophobicContact CG-CE1 3.22Å; F227-F306 HydrophobicContact CG-CE2 4.13Å; F227-F306 AromaticContact CG-CZ 3.19Å; F227-F306 HydrophobicContact CG-CZ 3.19Å; F227-F306 AromaticContact CZ-CD1 3.56Å; F227-F306 HydrophobicContact CZ-CD1 3.56Å; F227-F306 AromaticContact CZ-CD2 3.41Å; F227-F306 HydrophobicContact CZ-CD2 3.41Å; F227-F306 VanDerWaalsContact CZ-CD2 3.41Å; F227-F306 AromaticContact CZ-CE1 3.5Å; F227-F306 HydrophobicContact CZ-CE1 3.5Å; F227-F306 AromaticContact CZ-CE2 3.26Å; F227-F306 HydrophobicContact CZ-CE2 3.26Å; F227-F306 AromaticContact CZ-CG 3.53Å; F227-F306 HydrophobicContact CZ-CG 3.53Å; F227-F306 AromaticContact CZ-CZ 3.29Å; F227-F306 HydrophobicContact CZ-CZ 3.29Å; P249-F306 VanDerWaalsContact CD-CE2 3.48Å; P249-F306 HydrophobicContact CG-CE2 4.27Å; P249-F306 HydrophobicContact CG-CZ 4.15Å; T294-F306 CarbonylContact C-O 3.44Å; T294-F306 WeakPolarHBondContact CA-O 3.46Å; C295-F306 HydrophobicContact CB-CB 4.26Å; C295-F306 HydrophobicContact CB-CD2 4.44Å; C295-F306 PolarHBondContact N-O 3.45Å; C295-F306 PolarHBondContact O-N 3.05Å; V297-F306 HydrophobicContact CB-CE2 4.34Å; V297-F306 HydrophobicContact CG2-CD2 4.28Å; V297-F306 HydrophobicContact CG2-CE2 3.9Å; R304-F306 HydrophobicContact CB-CE1 4.3Å; R304-F306 HydrophobicContact CB-CE2 4.14Å; R304-F306 HydrophobicContact CB-CZ 3.63Å |
| 307 | Y | 90.3 | Very high | 88.3 | Confident | 77 Ų | 77 | 67.7 Ų | 67.7 | 30% | 0.302 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 126.3 | -172.8 | -54.4 | -83.1 | 0 | 0 | 0 | 110.1 | P231 Q232 E292 T294 R305 | P231-Y307 VanDerWaalsContact CA-O 3.32Å; P231-Y307 WeakPolarHBondContact CA-O 3.25Å; Q232-Y307 PolarHBondContact N-O 2.84Å; E292-Y307 HydrophobicContact CG-CD1 4.44Å; E292-Y307 WeakPolarHBondContact OE2-CD1 3.35Å; T294-Y307 HydrophobicContact CG2-CD1 4.07Å; T294-Y307 HydrophobicContact CG2-CE1 3.92Å; T294-Y307 WeakPolarHBondContact OG1-CD1 3.32Å; R305-Y307 HydrophobicContact CB-CE2 4.17Å |
| 308 | N | 91.9 | Very high | 86.3 | Confident | 4 Ų | 4 | 70.8 Ų | 70.8 | 2% | 0.021 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 125.5 | 170.9 | -70.9 | -83.9 | 0 | 0 | 0 | 108.2 | Q232 L244 K245 Y293 | Q232-N308 CarbonylContact O-C 3.52Å; Q232-N308 VanDerWaalsContact O-CA 3.29Å; Q232-N308 WeakPolarHBondContact O-CA 3.43Å; L244-N308 HydrophobicContact CD2-CB 4.41Å; K245-N308 PolarHBondContact O-ND2 2.9Å; Y293-N308 PolarHBondContact N-O 3.21Å; Y293-N308 PolarHBondContact O-N 3.48Å |
| 309 | H | 93.6 | Very high | 84.2 | Confident | 74 Ų | 74 | 73.6 Ų | 73.6 | 34% | 0.343 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 111.3 | 173.7 | -171.9 | 62.5 | 0 | 0 | 0 | 109.1 | Q232 V233 V234 G291 | Q232-H309 PolarHBondContact O-N 2.96Å; V233-H309 CarbonylContact C-O 3.57Å; V233-H309 WeakPolarHBondContact CA-O 3.43Å; V233-H309 HydrophobicContact CG2-CB 4.44Å; V234-H309 PolarHBondContact N-O 2.89Å; G291-H309 PolarHBondContact O-ND1 3.45Å |
| 310 | L | 95.4 | Very high | 81.8 | Confident | 0 Ų | 0 | 80.5 Ų | 80.5 | 0% | 0 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 127.1 | 178.6 | 178.9 | 61.5 | 0 | 0 | 0 | 109.6 | V234 T236 V242 L244 I282 D289 T290 G291 Y293 V312 | V234-L310 HydrophobicContact CB-CD1 4.26Å; V234-L310 HydrophobicContact CG1-CD1 4.18Å; V234-L310 WeakPolarHBondContact O-CA 3.45Å; T236-L310 HydrophobicContact CG2-CD1 3.8Å; V242-L310 HydrophobicContact CG1-CD1 4.02Å; V242-L310 HydrophobicContact CG1-CD2 4.1Å; V242-L310 HydrophobicContact CG2-CD1 4.05Å; L244-L310 HydrophobicContact CD2-CB 4.46Å; L244-L310 HydrophobicContact CD2-CD1 4.37Å; I282-L310 HydrophobicContact CD1-CD2 3.57Å; D289-L310 HydrophobicContact CB-CD2 4.35Å; T290-L310 WeakPolarHBondContact CA-O 3.22Å; T290-L310 WeakPolarHBondContact CG2-O 3.43Å; G291-L310 PolarHBondContact N-O 3.1Å; G291-L310 VanDerWaalsContact N-O 3.09Å; G291-L310 PolarHBondContact O-N 3.29Å; Y293-L310 HydrophobicContact CD2-CB 3.96Å; Y293-L310 HydrophobicContact CE2-CB 3.83Å; Y293-L310 HydrophobicContact CE2-CD2 3.83Å; Y293-L310 HydrophobicContact CE2-CG 4.47Å; L310-V312 HydrophobicContact CD1-CG2 4.5Å; L310-V312 HydrophobicContact CD2-CG2 4.14Å; L310-V312 HydrophobicContact CG-CG2 4.01Å |
| 311 | I | 95.6 | Very high | 79.9 | Confident | 42 Ų | 42 | 81.4 Ų | 81.4 | 22% | 0.215 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 113.7 | 174.1 | -58.2 | 174.4 | 0 | 0 | 0 | 108.1 | V233 V234 H235 T236 Q313 | V233-I311 HydrophobicContact CG1-CD1 3.78Å; V233-I311 HydrophobicContact CG1-CG1 4.42Å; V234-I311 PolarHBondContact O-N 3.45Å; H235-I311 WeakPolarHBondContact CA-O 3.44Å; T236-I311 PolarHBondContact N-O 3.28Å; I311-Q313 HydrophobicContact CG2-CG 3.98Å |
| 312 | V | 95.9 | Very high | 77.9 | Confident | 10 Ų | 10 | 88.1 Ų | 88.1 | 6% | 0.061 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 122.2 | 175.7 | -170.5 | 0 | 0 | 0 | 0 | 108.9 | T236 V238 A285 T286 D289 T290 L310 | T236-V312 HydrophobicContact CG2-CB 4.16Å; T236-V312 HydrophobicContact CG2-CG1 4.08Å; T236-V312 HydrophobicContact CG2-CG2 3.68Å; T236-V312 CarbonylContact O-C 3.59Å; T236-V312 WeakPolarHBondContact O-CA 3.38Å; V238-V312 HydrophobicContact CB-CG1 4.49Å; V238-V312 HydrophobicContact CG2-CG1 3.75Å; A285-V312 HydrophobicContact CB-CG1 4.11Å; A285-V312 HydrophobicContact CB-CG2 4.14Å; T286-V312 WeakPolarHBondContact O-CB 3.13Å; T286-V312 WeakPolarHBondContact O-CG1 3.2Å; T286-V312 WeakPolarHBondContact O-CG2 3.1Å; D289-V312 HydrophobicContact CB-CG2 4.34Å; T290-V312 PolarHBondContact OG1-N 3.32Å; T290-V312 VanDerWaalsContact OG1-N 3.12Å; L310-V312 HydrophobicContact CD1-CG2 4.5Å; L310-V312 HydrophobicContact CD2-CG2 4.14Å; L310-V312 HydrophobicContact CG-CG2 4.01Å |
| 313 | Q | 92.4 | Very high | 76.2 | Confident | 107 Ų | 107 | 90.7 Ų | 90.7 | 50% | 0.5 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 139.5 | -179.3 | -64.4 | 178.8 | -22.9 | 0 | 0 | 110.4 | T236 S237 V238 I311 | T236-Q313 PolarHBondContact O-N 2.77Å; S237-Q313 CarbonylContact C-O 3.53Å; S237-Q313 WeakPolarHBondContact CA-O 3.48Å; V238-Q313 PolarHBondContact N-O 2.85Å; I311-Q313 HydrophobicContact CG2-CG 3.98Å |
| 314 | Q | 86.5 | Confident | 74.3 | Confident | 123 Ų | 123 | 91.7 Ų | 91.7 | 58% | 0.575 | 46% | 0.464 | S | S | * | . | trans | -62.8 | 141.2 | 166.6 | -78.3 | 175.9 | 32.6 | 0 | 0 | 109.7 | V238 E287 L316 | V238-Q314 HydrophobicContact CB-CG 4.47Å; V238-Q314 HydrophobicContact CG2-CG 3.78Å; E287-Q314 VanDerWaalsContact OE1-CD 3.28Å; E287-Q314 VanDerWaalsContact OE1-CG 3.23Å; E287-Q314 WeakPolarHBondContact OE1-CG 3.46Å; E287-Q314 PolarHBondContact OE1-NE2 2.68Å; Q314-L316 PolarHBondContact O-N 2.95Å | ||
| 315 | P | 78.2 | Confident | 72.1 | Confident | 74 Ų | 74 | 95.6 Ų | 95.6 | 48% | 0.481 | 49% | 0.488 | S | S | . | . | trans | -53.4 | 134.8 | 164.1 | -15.6 | 27.9 | 0 | 0 | 0 | 107.9 | E317 | P315-E317 PolarHBondContact O-N 3.12Š| ||
| 316 | L | 70.1 | Confident | 70 | Confident | 179 Ų | 179 | 96.8 Ų | 96.8 | 94% | 0.937 | 51% | 0.508 | S | S | * | . | trans | -67.5 | 82.8 | 169.3 | -70.2 | 168.8 | 0 | 0 | 0 | 107.5 | Q314 G318 | Q314-L316 PolarHBondContact O-N 2.95Å; L316-G318 PolarHBondContact O-N 3.19Å; L316-G318 VanDerWaalsContact O-N 3.08Å | ||
| 317 | E | 61.6 | Low | 67.9 | Low | 172 Ų | 172 | 101.6 Ų | 101.6 | 80% | 0.804 | 54% | 0.543 | S | S | * | . | trans | -58.2 | 112.6 | 164 | -158.4 | 89 | -145.2 | 0 | 0 | 104.8 | P315 Q319 | P315-E317 PolarHBondContact O-N 3.12Å; E317-Q319 PolarHBondContact O-N 3.34Å | ||
| 318 | G | 49.6 | Very low | 65.8 | Low | 64 Ų | 64 | 103.3 Ų | 103.3 | 66% | 0.66 | 56% | 0.557 | S | S | * | * | trans | -46.2 | 114 | -171.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | L316 N320 | L316-G318 PolarHBondContact O-N 3.19Å; L316-G318 VanDerWaalsContact O-N 3.08Å; G318-N320 PolarHBondContact O-N 3.36Å | ||
| 319 | Q | 47.8 | Very low | 63.3 | Low | 167 Ų | 167 | 106.4 Ų | 106.4 | 78% | 0.78 | 59% | 0.59 | S | S | * | * | trans | -57 | 102 | 164.9 | -73.5 | -175.4 | -10.6 | 0 | 0 | 104.7 | E317 I321 | E317-Q319 PolarHBondContact O-N 3.34Å; Q319-I321 HydrophobicContact CB-CD1 4.42Å; Q319-I321 HydrophobicContact CB-CG1 3.63Å; Q319-I321 PolarHBondContact O-N 3.45Å | ||
| 320 | N | 40.7 | Very low | 61 | Low | 157 Ų | 157 | 113.1 Ų | 113.1 | 84% | 0.84 | 62% | 0.618 | S | S | * | * | trans | -59.7 | 75.9 | 145.5 | -83.8 | -51.1 | 0 | 0 | 0 | 105 | G318 R322 | G318-N320 PolarHBondContact O-N 3.36Å; N320-R322 PolarHBondContact O-N 2.91Å | ||
| 321 | I | 51.3 | Low | 58.6 | Low | 117 Ų | 117 | 117.4 Ų | 117.4 | 60% | 0.6 | 65% | 0.653 | S | S | * | * | trans | -62.7 | 85.5 | 154.1 | -51.2 | 178.4 | 0 | 0 | 0 | 102.3 | Q319 P323 | Q319-I321 HydrophobicContact CB-CD1 4.42Å; Q319-I321 HydrophobicContact CB-CG1 3.63Å; Q319-I321 PolarHBondContact O-N 3.45Å; I321-P323 VanDerWaalsContact C-N 3.34Å; I321-P323 WeakPolarHBondContact O-CD 3.41Å; I321-P323 VanDerWaalsContact O-N 3.11Å | ||
| 322 | R | 47.1 | Very low | 56.2 | Low | 202 Ų | 202 | 122.2 Ų | 122.2 | 76% | 0.762 | 68% | 0.675 | S | S | * | * | trans | -58.2 | 113.4 | 148.7 | -79.9 | -170.6 | -126.8 | -126 | 0.8 | 102.9 | N320 | N320-R322 PolarHBondContact O-N 2.91Š| ||
| 323 | P | 53 | Low | 53.6 | Low | 85 Ų | 85 | 131.4 Ų | 131.4 | 55% | 0.552 | 71% | 0.714 | S | S | * | * | trans | -52.4 | 149 | 171.5 | 23.5 | -32.6 | 0 | 0 | 0 | 107.6 | I321 M325 | I321-P323 VanDerWaalsContact C-N 3.34Å; I321-P323 WeakPolarHBondContact O-CD 3.41Å; I321-P323 VanDerWaalsContact O-N 3.11Å; P323-M325 VanDerWaalsContact C-N 3.29Å; P323-M325 PolarHBondContact O-N 2.85Å | ||
| 324 | P | 51.5 | Low | 51.6 | Low | 105 Ų | 105 | 135.6 Ų | 135.6 | 68% | 0.682 | 73% | 0.734 | S | S | * | * | trans | -58.2 | 98.1 | 176.1 | 23.6 | -30.4 | 0 | 0 | 0 | 108.1 | S326 | P324-S326 PolarHBondContact O-N 3.12Š| ||
| 325 | M | 43 | Very low | 49.9 | Very low | 157 Ų | 157 | 133.2 Ų | 133.2 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | trans | -75.4 | 67 | 175.2 | -89 | -167.1 | -84.8 | 0 | 0 | 108 | P323 | P323-M325 VanDerWaalsContact C-N 3.29Å; P323-M325 PolarHBondContact O-N 2.85Å | ||
| 326 | S | 45.6 | Very low | 48.6 | Very low | 105 Ų | 105 | 136 Ų | 136 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -157.6 | 48.1 | 173 | 65.3 | 0 | 0 | 0 | 0 | 111 | P324 | P324-S326 PolarHBondContact O-N 3.12Š|
| 327 | S | 45.5 | Very low | 47.9 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 79% | 0.79 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -175.5 | -15 | 157.7 | 58.7 | 0 | 0 | 0 | 0 | 112.9 | G329 | S327-G329 PolarHBondContact O-N 3.08Š|
| 328 | L | 45.6 | Very low | 47.5 | Very low | 113 Ų | 113 | 129.5 Ų | 129.5 | 59% | 0.592 | 72% | 0.723 | S | S | * | * | trans | -82.4 | 44.2 | 174.6 | -137.7 | 81.3 | 0 | 0 | 0 | 112.6 | Q332 | L328-Q332 HydrophobicContact CD2-CB 3.78Å; L328-Q332 HydrophobicContact CD2-CG 3.87Å; L328-Q332 HydrophobicContact CG-CB 4.29Å | ||
| 329 | G | 39.8 | Very low | 47.7 | Very low | 69 Ų | 69 | 131.3 Ų | 131.3 | 71% | 0.711 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -87.9 | -6.2 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | S327 | S327-G329 PolarHBondContact O-N 3.08Š|
| 330 | K | 44.3 | Very low | 47.9 | Very low | 215 Ų | 215 | 127.3 Ų | 127.3 | 94% | 0.935 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -147.2 | 8.9 | -173.1 | -73.7 | -170.8 | 179.5 | 174.6 | 0 | 117.3 | ||
| 331 | A | 45.8 | Very low | 48.8 | Very low | 89 Ų | 89 | 124.5 Ų | 124.5 | 74% | 0.736 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -131.4 | 1.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 332 | Q | 44.8 | Very low | 49.3 | Very low | 143 Ų | 143 | 123.6 Ų | 123.6 | 67% | 0.668 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -122.7 | 30.4 | -169.9 | -154.7 | 95.8 | -12.7 | 0 | 0 | 113.5 | L328 | L328-Q332 HydrophobicContact CD2-CB 3.78Å; L328-Q332 HydrophobicContact CD2-CG 3.87Å; L328-Q332 HydrophobicContact CG-CB 4.29Å |
| 333 | K | 42.5 | Very low | 50.1 | Low | 204 Ų | 204 | 115.6 Ų | 115.6 | 89% | 0.887 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -118 | 16.4 | -178.2 | -143.7 | -179.4 | -177.7 | -177.7 | 0 | 114.3 | ||
| 334 | E | 49.6 | Very low | 51 | Low | 195 Ų | 195 | 116.5 Ų | 116.5 | 91% | 0.911 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -130.5 | 5.1 | -175 | -121.8 | 170.2 | -174.4 | 0 | 0 | 114.5 | ||
| 335 | A | 50.1 | Low | 52.1 | Low | 73 Ų | 73 | 113.7 Ų | 113.7 | 60% | 0.603 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -117.1 | -15.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 336 | D | 52.1 | Low | 53.7 | Low | 133 Ų | 133 | 109.9 Ų | 109.9 | 71% | 0.711 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -93.3 | -23.2 | -170.6 | -133.6 | 0.6 | 0 | 0 | 0 | 113.9 | S338 | D336-S338 VanDerWaalsContact C-N 3.32Å; D336-S338 PolarHBondContact O-N 3.44Å |
| 337 | D | 53.9 | Low | 55.3 | Low | 139 Ų | 139 | 113.5 Ų | 113.5 | 74% | 0.743 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -77.5 | -18.9 | 175.3 | -71.2 | -22.7 | 0 | 0 | 0 | 112.5 | V341 | D337-V341 WeakPolarHBondContact O-CB 3.12Å; D337-V341 WeakPolarHBondContact O-CG2 3.06Å; D337-V341 PolarHBondContact O-N 3.08Å |
| 338 | S | 53 | Low | 57.2 | Low | 74 Ų | 74 | 113.4 Ų | 113.4 | 52% | 0.517 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -74.6 | -39.7 | 179.9 | 170.8 | 0 | 0 | 0 | 0 | 112.5 | D336 V341 V342 | D336-S338 VanDerWaalsContact C-N 3.32Å; D336-S338 PolarHBondContact O-N 3.44Å; S338-V341 PolarHBondContact O-N 2.95Å; S338-V342 VanDerWaalsContact O-CG2 3.27Å; S338-V342 WeakPolarHBondContact O-CG2 3.39Å; S338-V342 PolarHBondContact O-N 3.24Å; S338-V342 VanDerWaalsContact O-N 3.11Å |
| 339 | V | 55.2 | Low | 59.1 | Low | 103 Ų | 103 | 113.8 Ų | 113.8 | 62% | 0.624 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -74.4 | -37.3 | -172.8 | -176.5 | 0 | 0 | 0 | 0 | 111.7 | G343 | V339-G343 PolarHBondContact O-N 3.1Å; V339-G343 VanDerWaalsContact O-N 3.14Å |
| 340 | C | 52.1 | Low | 61.2 | Low | 83 Ų | 83 | 113.7 Ų | 113.7 | 56% | 0.561 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -71.1 | -35.9 | 174.7 | -77.6 | 0 | 0 | 0 | 0 | 112.7 | G343 I344 | C340-G343 PolarHBondContact O-N 2.82Å; C340-I344 VanDerWaalsContact O-CG1 3.26Å; C340-I344 WeakPolarHBondContact O-CG1 3.39Å; C340-I344 PolarHBondContact O-N 3.49Å |
| 341 | V | 58 | Low | 63.3 | Low | 98 Ų | 98 | 105.7 Ų | 105.7 | 59% | 0.594 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -68.1 | -37.7 | 177.6 | 174.3 | 0 | 0 | 0 | 0 | 111 | D337 S338 A345 | D337-V341 WeakPolarHBondContact O-CB 3.12Å; D337-V341 WeakPolarHBondContact O-CG2 3.06Å; D337-V341 PolarHBondContact O-N 3.08Å; S338-V341 PolarHBondContact O-N 2.95Å; V341-A345 VanDerWaalsContact O-CB 3.23Å; V341-A345 WeakPolarHBondContact O-CB 3.37Å; V341-A345 PolarHBondContact O-N 3.18Å |
| 342 | V | 63.7 | Low | 65.4 | Low | 98 Ų | 98 | 105.2 Ų | 105.2 | 59% | 0.594 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -67.3 | -40.2 | 174.9 | 175.9 | 0 | 0 | 0 | 0 | 111.6 | S338 S346 | S338-V342 VanDerWaalsContact O-CG2 3.27Å; S338-V342 WeakPolarHBondContact O-CG2 3.39Å; S338-V342 PolarHBondContact O-N 3.24Å; S338-V342 VanDerWaalsContact O-N 3.11Å; V342-S346 WeakPolarHBondContact O-CB 3.11Å; V342-S346 PolarHBondContact O-N 3.26Å |
| 343 | G | 63 | Low | 67.4 | Low | 34 Ų | 34 | 102.2 Ų | 102.2 | 35% | 0.351 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.6 | -47.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | V339 C340 S346 Y347 | V339-G343 PolarHBondContact O-N 3.1Å; V339-G343 VanDerWaalsContact O-N 3.14Å; C340-G343 PolarHBondContact O-N 2.82Å; G343-S346 PolarHBondContact O-N 2.82Å; G343-Y347 WeakPolarHBondContact O-CD2 3.34Å; G343-Y347 PolarHBondContact O-N 2.8Å; G343-Y347 VanDerWaalsContact O-N 3.09Å |
| 344 | I | 72 | Confident | 69.6 | Low | 104 Ų | 104 | 97.6 Ų | 97.6 | 53% | 0.533 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.4 | -41.1 | 179 | -65 | 165.5 | 0 | 0 | 0 | 110.8 | C340 S346 Y347 L348 | C340-I344 VanDerWaalsContact O-CG1 3.26Å; C340-I344 WeakPolarHBondContact O-CG1 3.39Å; C340-I344 PolarHBondContact O-N 3.49Å; I344-S346 VanDerWaalsContact C-N 3.32Å; I344-S346 PolarHBondContact O-N 2.85Å; I344-Y347 PolarHBondContact O-N 3.05Å; I344-L348 HydrophobicContact CG2-CD1 3.79Å; I344-L348 HydrophobicContact CG2-CG 4.21Å; I344-L348 WeakPolarHBondContact O-CB 3.48Å; I344-L348 VanDerWaalsContact O-CG 3.28Å; I344-L348 WeakPolarHBondContact O-CG 3.45Å; I344-L348 PolarHBondContact O-N 2.61Å |
| 345 | A | 74.3 | Confident | 71.4 | Confident | 45 Ų | 45 | 93.5 Ų | 93.5 | 37% | 0.372 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.2 | -38.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V341 L348 L349 | V341-A345 VanDerWaalsContact O-CB 3.23Å; V341-A345 WeakPolarHBondContact O-CB 3.37Å; V341-A345 PolarHBondContact O-N 3.18Å; A345-L348 PolarHBondContact O-N 2.77Å; A345-L349 WeakPolarHBondContact O-CB 3.05Å; A345-L349 PolarHBondContact O-N 2.88Å |
| 346 | S | 77.7 | Confident | 73.1 | Confident | 77 Ų | 77 | 95.4 Ų | 95.4 | 54% | 0.538 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.5 | -43.6 | 176.4 | -174.5 | 0 | 0 | 0 | 0 | 112.5 | V342 G343 I344 L349 S350 | V342-S346 WeakPolarHBondContact O-CB 3.11Å; V342-S346 PolarHBondContact O-N 3.26Å; G343-S346 PolarHBondContact O-N 2.82Å; I344-S346 VanDerWaalsContact C-N 3.32Å; I344-S346 PolarHBondContact O-N 2.85Å; S346-L349 PolarHBondContact O-N 3.02Å; S346-S350 PolarHBondContact O-N 3.3Å; S346-S350 PolarHBondContact O-OG 2.88Å |
| 347 | Y | 79.2 | Confident | 74.6 | Confident | 182 Ų | 182 | 94 Ų | 94 | 71% | 0.714 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.7 | -40.4 | 175 | -88.8 | -78.9 | 0 | 0 | 0 | 112.3 | G343 I344 S350 A351 | G343-Y347 WeakPolarHBondContact O-CD2 3.34Å; G343-Y347 PolarHBondContact O-N 2.8Å; G343-Y347 VanDerWaalsContact O-N 3.09Å; I344-Y347 PolarHBondContact O-N 3.05Å; Y347-S350 WeakPolarHBondContact CA-OG 2.94Å; Y347-S350 PolarHBondContact O-N 2.78Å; Y347-S350 PolarHBondContact O-OG 3.43Å; Y347-A351 WeakPolarHBondContact O-CB 3.31Å; Y347-A351 PolarHBondContact O-N 2.84Å |
| 348 | L | 84.5 | Confident | 75.9 | Confident | 111 Ų | 111 | 92 Ų | 92 | 58% | 0.581 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.6 | -41.6 | 175.7 | -69.7 | 174.5 | 0 | 0 | 0 | 111.9 | I344 A345 A351 V352 | I344-L348 HydrophobicContact CG2-CD1 3.79Å; I344-L348 HydrophobicContact CG2-CG 4.21Å; I344-L348 WeakPolarHBondContact O-CB 3.48Å; I344-L348 VanDerWaalsContact O-CG 3.28Å; I344-L348 WeakPolarHBondContact O-CG 3.45Å; I344-L348 PolarHBondContact O-N 2.61Å; A345-L348 PolarHBondContact O-N 2.77Å; L348-A351 PolarHBondContact O-N 2.92Å; L348-V352 WeakPolarHBondContact O-CB 3.32Å; L348-V352 VanDerWaalsContact O-CG2 3.24Å; L348-V352 WeakPolarHBondContact O-CG2 3.46Å; L348-V352 PolarHBondContact O-N 3.18Å |
| 349 | L | 84.7 | Confident | 77 | Confident | 121 Ų | 121 | 93.3 Ų | 93.3 | 63% | 0.634 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.6 | -46.3 | 175 | -111.2 | 88.7 | 0 | 0 | 0 | 111.6 | A345 S346 A351 V352 V353 | A345-L349 WeakPolarHBondContact O-CB 3.05Å; A345-L349 PolarHBondContact O-N 2.88Å; S346-L349 PolarHBondContact O-N 3.02Å; L349-A351 PolarHBondContact O-N 3.14Å; L349-V352 PolarHBondContact O-N 2.84Å; L349-V353 WeakPolarHBondContact O-CB 3.35Å; L349-V353 VanDerWaalsContact O-CG2 3.26Å; L349-V353 WeakPolarHBondContact O-CG2 3.35Å; L349-V353 PolarHBondContact O-N 2.87Å |
| 350 | S | 85.2 | Confident | 78 | Confident | 66 Ų | 66 | 93 Ų | 93 | 46% | 0.462 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.3 | -38.1 | 179.1 | 56.6 | 0 | 0 | 0 | 0 | 112.6 | S346 Y347 L354 | S346-S350 PolarHBondContact O-N 3.3Å; S346-S350 PolarHBondContact O-OG 2.88Å; Y347-S350 WeakPolarHBondContact CA-OG 2.94Å; Y347-S350 PolarHBondContact O-N 2.78Å; Y347-S350 PolarHBondContact O-OG 3.43Å; S350-L354 WeakPolarHBondContact O-CB 3.21Å; S350-L354 PolarHBondContact O-N 2.89Å |
| 351 | A | 88.4 | Confident | 78.8 | Confident | 47 Ų | 47 | 93.6 Ų | 93.6 | 39% | 0.388 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.6 | -40.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y347 L348 L349 L354 L355 | Y347-A351 WeakPolarHBondContact O-CB 3.31Å; Y347-A351 PolarHBondContact O-N 2.84Å; L348-A351 PolarHBondContact O-N 2.92Å; L349-A351 PolarHBondContact O-N 3.14Å; A351-L354 PolarHBondContact O-N 2.86Å; A351-L355 WeakPolarHBondContact O-CB 3.46Å; A351-L355 PolarHBondContact O-N 3.46Å |
| 352 | V | 90.1 | Very high | 79.2 | Confident | 80 Ų | 80 | 90.7 Ų | 90.7 | 49% | 0.485 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.3 | -43.1 | 176.3 | 171.7 | 0 | 0 | 0 | 0 | 111 | L348 L349 L354 L355 L356 | L348-V352 WeakPolarHBondContact O-CB 3.32Å; L348-V352 VanDerWaalsContact O-CG2 3.24Å; L348-V352 WeakPolarHBondContact O-CG2 3.46Å; L348-V352 PolarHBondContact O-N 3.18Å; L349-V352 PolarHBondContact O-N 2.84Å; V352-L354 VanDerWaalsContact C-N 3.33Å; V352-L354 PolarHBondContact O-N 2.99Å; V352-L355 PolarHBondContact O-N 2.99Å; V352-L356 HydrophobicContact CG1-CD1 4Å; V352-L356 HydrophobicContact CG1-CG 4.37Å; V352-L356 WeakPolarHBondContact O-CB 3.37Å; V352-L356 WeakPolarHBondContact O-CG 3.45Å; V352-L356 PolarHBondContact O-N 3.1Å |
| 353 | V | 87.1 | Confident | 79.2 | Confident | 80 Ų | 80 | 94.3 Ų | 94.3 | 49% | 0.485 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.9 | -43.1 | 175 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | L349 L356 L357 | L349-V353 WeakPolarHBondContact O-CB 3.35Å; L349-V353 VanDerWaalsContact O-CG2 3.26Å; L349-V353 WeakPolarHBondContact O-CG2 3.35Å; L349-V353 PolarHBondContact O-N 2.87Å; V353-L356 PolarHBondContact O-N 3.09Å; V353-L357 HydrophobicContact CG1-CD1 4.03Å; V353-L357 HydrophobicContact CG1-CG 4.47Å; V353-L357 WeakPolarHBondContact O-CB 3.02Å; V353-L357 VanDerWaalsContact O-CG 3.26Å; V353-L357 WeakPolarHBondContact O-CG 3.45Å; V353-L357 PolarHBondContact O-N 2.93Å |
| 354 | L | 88.4 | Confident | 79.1 | Confident | 107 Ų | 107 | 97.9 Ų | 97.9 | 56% | 0.56 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64 | -42 | 176.8 | -173.4 | 63.5 | 0 | 0 | 0 | 112.3 | S350 A351 V352 L357 I358 | S350-L354 WeakPolarHBondContact O-CB 3.21Å; S350-L354 PolarHBondContact O-N 2.89Å; A351-L354 PolarHBondContact O-N 2.86Å; V352-L354 VanDerWaalsContact C-N 3.33Å; V352-L354 PolarHBondContact O-N 2.99Å; L354-L357 PolarHBondContact O-N 2.8Å; L354-I358 HydrophobicContact CG-CD1 4.16Å; L354-I358 WeakPolarHBondContact O-CD1 3.48Å; L354-I358 VanDerWaalsContact O-CG1 3.25Å; L354-I358 WeakPolarHBondContact O-CG1 3.44Å; L354-I358 PolarHBondContact O-N 2.71Å |
| 355 | L | 86.8 | Confident | 78.5 | Confident | 108 Ų | 108 | 96 Ų | 96 | 57% | 0.565 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64 | -42.4 | 175.7 | -87.6 | 159.8 | 0 | 0 | 0 | 112.4 | A351 V352 I358 M359 | A351-L355 WeakPolarHBondContact O-CB 3.46Å; A351-L355 PolarHBondContact O-N 3.46Å; V352-L355 PolarHBondContact O-N 2.99Å; L355-I358 PolarHBondContact O-N 3.18Å; L355-M359 WeakPolarHBondContact O-CB 3.45Å; L355-M359 VanDerWaalsContact O-CG 3.31Å; L355-M359 WeakPolarHBondContact O-CG 3.37Å; L355-M359 PolarHBondContact O-N 3.36Å |
| 356 | L | 85.1 | Confident | 77.7 | Confident | 113 Ų | 113 | 101.9 Ų | 101.9 | 59% | 0.592 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.5 | -41.3 | 176.3 | -71.2 | 173.4 | 0 | 0 | 0 | 111.4 | V352 V353 I358 M359 D360 | V352-L356 HydrophobicContact CG1-CD1 4Å; V352-L356 HydrophobicContact CG1-CG 4.37Å; V352-L356 WeakPolarHBondContact O-CB 3.37Å; V352-L356 WeakPolarHBondContact O-CG 3.45Å; V352-L356 PolarHBondContact O-N 3.1Å; V353-L356 PolarHBondContact O-N 3.09Å; L356-I358 VanDerWaalsContact C-N 3.35Å; L356-I358 PolarHBondContact O-N 2.94Å; L356-M359 PolarHBondContact O-N 2.72Å; L356-D360 WeakPolarHBondContact O-CB 3.29Å; L356-D360 PolarHBondContact O-N 3.47Å |
| 357 | L | 83.3 | Confident | 76.6 | Confident | 104 Ų | 104 | 101.8 Ų | 101.8 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.1 | -40.8 | 174.2 | -71.5 | 170.5 | 0 | 0 | 0 | 112 | V353 L354 D360 V361 | V353-L357 HydrophobicContact CG1-CD1 4.03Å; V353-L357 HydrophobicContact CG1-CG 4.47Å; V353-L357 WeakPolarHBondContact O-CB 3.02Å; V353-L357 VanDerWaalsContact O-CG 3.26Å; V353-L357 WeakPolarHBondContact O-CG 3.45Å; V353-L357 PolarHBondContact O-N 2.93Å; L354-L357 PolarHBondContact O-N 2.8Å; L357-D360 PolarHBondContact O-N 3.08Å; L357-V361 VanDerWaalsContact O-CG2 3.25Å; L357-V361 WeakPolarHBondContact O-CG2 3.37Å; L357-V361 PolarHBondContact O-N 2.67Å |
| 358 | I | 82.9 | Confident | 75.4 | Confident | 98 Ų | 98 | 97.4 Ų | 97.4 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.9 | -41.5 | 175.6 | -67.6 | 163.5 | 0 | 0 | 0 | 110.8 | L354 L355 L356 A362 | L354-I358 HydrophobicContact CG-CD1 4.16Å; L354-I358 WeakPolarHBondContact O-CD1 3.48Å; L354-I358 VanDerWaalsContact O-CG1 3.25Å; L354-I358 WeakPolarHBondContact O-CG1 3.44Å; L354-I358 PolarHBondContact O-N 2.71Å; L355-I358 PolarHBondContact O-N 3.18Å; L356-I358 VanDerWaalsContact C-N 3.35Å; L356-I358 PolarHBondContact O-N 2.94Å; I358-A362 VanDerWaalsContact O-CB 3.25Å; I358-A362 WeakPolarHBondContact O-CB 3.35Å; I358-A362 PolarHBondContact O-N 2.76Å |
| 359 | M | 75.2 | Confident | 73.9 | Confident | 101 Ų | 101 | 97.7 Ų | 97.7 | 50% | 0.498 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.7 | -38.4 | 178.5 | -72.9 | -62 | -64.3 | 0 | 0 | 112.4 | L355 L356 A362 W363 | L355-M359 WeakPolarHBondContact O-CB 3.45Å; L355-M359 VanDerWaalsContact O-CG 3.31Å; L355-M359 WeakPolarHBondContact O-CG 3.37Å; L355-M359 PolarHBondContact O-N 3.36Å; L356-M359 PolarHBondContact O-N 2.72Å; M359-A362 PolarHBondContact O-N 3.1Å; M359-W363 WeakPolarHBondContact O-CB 3.45Å; M359-W363 PolarHBondContact O-N 2.94Å |
| 360 | D | 75.6 | Confident | 72.3 | Confident | 95 Ų | 95 | 95.2 Ų | 95.2 | 51% | 0.508 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.9 | -39.3 | 178.2 | -150 | 1.9 | 0 | 0 | 0 | 111.2 | L356 L357 W363 N364 | L356-D360 WeakPolarHBondContact O-CB 3.29Å; L356-D360 PolarHBondContact O-N 3.47Å; L357-D360 PolarHBondContact O-N 3.08Å; D360-W363 PolarHBondContact O-N 3.19Å; D360-N364 VanDerWaalsContact O-CB 3.31Å; D360-N364 WeakPolarHBondContact O-CB 3.43Å; D360-N364 PolarHBondContact O-N 2.87Å; D360-N364 PolarHBondContact O-ND2 2.88Å |
| 361 | V | 69 | Low | 70.7 | Confident | 96 Ų | 96 | 102.8 Ų | 102.8 | 58% | 0.582 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.2 | -43.5 | 169.7 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | L357 W363 N364 V365 | L357-V361 VanDerWaalsContact O-CG2 3.25Å; L357-V361 WeakPolarHBondContact O-CG2 3.37Å; L357-V361 PolarHBondContact O-N 2.67Å; V361-W363 VanDerWaalsContact C-N 3.33Å; V361-W363 PolarHBondContact O-N 3.23Å; V361-N364 PolarHBondContact O-N 2.59Å; V361-V365 HydrophobicContact CG1-CG2 4.2Å; V361-V365 WeakPolarHBondContact O-CB 3.06Å; V361-V365 WeakPolarHBondContact O-CG2 3.14Å; V361-V365 PolarHBondContact O-N 3.49Å |
| 362 | A | 66.4 | Low | 68.8 | Low | 37 Ų | 37 | 107.2 Ų | 107.2 | 31% | 0.306 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.8 | -33.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | I358 M359 R366 | I358-A362 VanDerWaalsContact O-CB 3.25Å; I358-A362 WeakPolarHBondContact O-CB 3.35Å; I358-A362 PolarHBondContact O-N 2.76Å; M359-A362 PolarHBondContact O-N 3.1Å; A362-R366 WeakPolarHBondContact O-CD 3.42Å; A362-R366 VanDerWaalsContact O-CG 3.23Å; A362-R366 WeakPolarHBondContact O-CG 3.47Å; A362-R366 PolarHBondContact O-N 3.45Å |
| 363 | W | 64.2 | Low | 66.6 | Low | 175 Ų | 175 | 106.4 Ų | 106.4 | 66% | 0.663 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -80.3 | -37.1 | 176.5 | -111.1 | -27.7 | 0 | 0 | 0 | 113.1 | M359 D360 V361 V365 R366 P367 | M359-W363 WeakPolarHBondContact O-CB 3.45Å; M359-W363 PolarHBondContact O-N 2.94Å; D360-W363 PolarHBondContact O-N 3.19Å; V361-W363 VanDerWaalsContact C-N 3.33Å; V361-W363 PolarHBondContact O-N 3.23Å; W363-V365 VanDerWaalsContact C-N 3.28Å; W363-V365 PolarHBondContact O-N 2.86Å; W363-R366 PolarHBondContact O-N 3.22Å; W363-P367 WeakPolarHBondContact O-CD 3.32Å |
| 364 | N | 61.9 | Low | 64.5 | Low | 108 Ų | 108 | 109.8 Ų | 109.8 | 58% | 0.578 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -71.4 | -22 | 175.6 | -83.7 | -33.8 | 0 | 0 | 0 | 113.3 | D360 V361 | D360-N364 VanDerWaalsContact O-CB 3.31Å; D360-N364 WeakPolarHBondContact O-CB 3.43Å; D360-N364 PolarHBondContact O-N 2.87Å; D360-N364 PolarHBondContact O-ND2 2.88Å; V361-N364 PolarHBondContact O-N 2.59Å |
| 365 | V | 58.8 | Low | 62.2 | Low | 65 Ų | 65 | 115.5 Ų | 115.5 | 39% | 0.394 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -86.7 | -23.4 | 176.8 | 177.9 | 0 | 0 | 0 | 0 | 112.4 | V361 W363 V368 L369 | V361-V365 HydrophobicContact CG1-CG2 4.2Å; V361-V365 WeakPolarHBondContact O-CB 3.06Å; V361-V365 WeakPolarHBondContact O-CG2 3.14Å; V361-V365 PolarHBondContact O-N 3.49Å; W363-V365 VanDerWaalsContact C-N 3.28Å; W363-V365 PolarHBondContact O-N 2.86Å; V365-V368 PolarHBondContact O-N 2.59Å; V365-L369 HydrophobicContact CG1-CD1 3.43Å; V365-L369 VanDerWaalsContact CG1-CD1 3.43Å; V365-L369 HydrophobicContact CG1-CG 3.8Å; V365-L369 PolarHBondContact O-N 2.72Å |
| 366 | R | 57.1 | Low | 59.8 | Low | 169 Ų | 169 | 118.4 Ų | 118.4 | 64% | 0.638 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -62.2 | -41.5 | 179.4 | -84.9 | 171.5 | -175.4 | -164.7 | 2.6 | 115.3 | A362 W363 V368 A370 | A362-R366 WeakPolarHBondContact O-CD 3.42Å; A362-R366 VanDerWaalsContact O-CG 3.23Å; A362-R366 WeakPolarHBondContact O-CG 3.47Å; A362-R366 PolarHBondContact O-N 3.45Å; W363-R366 PolarHBondContact O-N 3.22Å; R366-V368 VanDerWaalsContact C-N 3.33Å; R366-A370 VanDerWaalsContact O-CB 3.26Å; R366-A370 WeakPolarHBondContact O-CB 3.17Å; R366-A370 PolarHBondContact O-N 2.86Å |
| 367 | P | 54.2 | Low | 57.4 | Low | 74 Ų | 74 | 119.3 Ų | 119.3 | 48% | 0.481 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -78.5 | -16.1 | 176.5 | 28.3 | -31.7 | 0 | 0 | 0 | 113.4 | W363 | W363-P367 WeakPolarHBondContact O-CD 3.32Å |
| 368 | V | 55 | Low | 55.2 | Low | 91 Ų | 91 | 122.5 Ų | 122.5 | 55% | 0.552 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -86.3 | -38.4 | 177.8 | -177.2 | 0 | 0 | 0 | 0 | 111.3 | V365 R366 | V365-V368 PolarHBondContact O-N 2.59Å; R366-V368 VanDerWaalsContact C-N 3.33Å |
| 369 | L | 52.1 | Low | 52.9 | Low | 117 Ų | 117 | 122.9 Ų | 122.9 | 61% | 0.613 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -76.3 | -27.5 | 174.4 | -71.5 | 175.3 | 0 | 0 | 0 | 113.3 | V365 R371 L372 | V365-L369 HydrophobicContact CG1-CD1 3.43Å; V365-L369 VanDerWaalsContact CG1-CD1 3.43Å; V365-L369 HydrophobicContact CG1-CG 3.8Å; V365-L369 PolarHBondContact O-N 2.72Å; L369-R371 VanDerWaalsContact C-N 3.29Å; L369-R371 PolarHBondContact O-N 3.32Å; L369-L372 PolarHBondContact O-N 3.35Å |
| 370 | A | 52.6 | Low | 51.1 | Low | 68 Ų | 68 | 128.5 Ų | 128.5 | 56% | 0.562 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | -18.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | R366 | R366-A370 VanDerWaalsContact O-CB 3.26Å; R366-A370 WeakPolarHBondContact O-CB 3.17Å; R366-A370 PolarHBondContact O-N 2.86Å |
| 371 | R | 51.5 | Low | 49 | Very low | 226 Ų | 226 | 133.2 Ų | 133.2 | 85% | 0.853 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | -9.4 | 177.8 | -68 | -173.3 | -168.9 | -171.6 | 4.1 | 114.5 | L369 | L369-R371 VanDerWaalsContact C-N 3.29Å; L369-R371 PolarHBondContact O-N 3.32Å |
| 372 | L | 47.4 | Very low | 47.2 | Very low | 140 Ų | 140 | 138.9 Ų | 138.9 | 73% | 0.733 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.8 | -9 | -177.7 | -87.9 | 141.7 | 0 | 0 | 0 | 114 | L369 | L369-L372 PolarHBondContact O-N 3.35Š|
| 373 | G | 43 | Very low | 45.5 | Very low | 63 Ų | 63 | 143.1 Ų | 143.1 | 65% | 0.649 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -94.2 | -0.6 | -169.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||
| 374 | I | 44.3 | Very low | 44.2 | Very low | 150 Ų | 150 | 141.1 Ų | 141.1 | 77% | 0.769 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -91.8 | -5.5 | -168.9 | -68.5 | 174.4 | 0 | 0 | 0 | 114.9 | ||
| 375 | R | 39.2 | Very low | 42.7 | Very low | 227 Ų | 227 | 147.1 Ų | 147.1 | 86% | 0.857 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -143.3 | 24.7 | -170.5 | -81.9 | -167.1 | -174.8 | 178.2 | 2 | 119.2 | ||
| 376 | L | 37.6 | Very low | 41.4 | Very low | 169 Ų | 169 | 155.7 Ų | 155.7 | 89% | 0.885 | 76% | 0.761 | S | S | * | * | trans | -142.3 | 69.4 | 173.9 | -72.8 | 166 | 0 | 0 | 0 | 111.8 | ||||
| 377 | C | 34.1 | Very low | 40.3 | Very low | 132 Ų | 132 | 151 Ų | 151 | 89% | 0.892 | 77% | 0.765 | S | S | * | * | trans | -117.2 | 71.6 | 164.5 | -94.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 378 | H | 36.7 | Very low | 39.1 | Very low | 171 Ų | 171 | 152.4 Ų | 152.4 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | trans | -151.2 | 144.2 | 160.9 | -125.2 | -100.5 | 0 | 0 | 0 | 108.5 | ||||
| 379 | T | 35.8 | Very low | 38.3 | Very low | 107 Ų | 107 | 158.4 Ų | 158.4 | 66% | 0.656 | 79% | 0.791 | S | S | * | * | trans | 70.7 | 87.2 | 156.3 | 55.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 380 | F | 36.1 | Very low | 37.4 | Very low | 219 Ų | 219 | 159.3 Ų | 159.3 | 96% | 0.961 | 80% | 0.796 | S | S | * | * | trans | -146.7 | 88.8 | 133.2 | -97.2 | -73.5 | 0 | 0 | 0 | 111.1 | ||||
| 381 | Y | 32.3 | Very low | 36.6 | Very low | 193 Ų | 193 | 164.4 Ų | 164.4 | 76% | 0.757 | 81% | 0.808 | S | S | * | * | trans | -78.2 | 140.1 | 157.5 | -102.7 | -98.6 | 0 | 0 | 0 | 109.6 | ||||
| 382 | R | 30.2 | Very low | 35.5 | Very low | 216 Ų | 216 | 163.8 Ų | 163.8 | 82% | 0.815 | 81% | 0.806 | S | S | * | * | trans | 65.2 | 115.5 | 141.5 | -75.7 | 175.6 | 179.7 | 165.9 | -1 | 122.9 | ||||
| 383 | C | 30.9 | Very low | 34.8 | Very low | 125 Ų | 125 | 165.3 Ų | 165.3 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | 36.1 | 142.6 | 127.8 | -88.3 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 384 | P | 37 | Very low | 34.3 | Very low | 133 Ų | 133 | 167.8 Ų | 167.8 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | -147.9 | 170.6 | 105.8 | 34.6 | -15.3 | 0 | 0 | 0 | 117.6 | |||||
| 385 | R | 31.8 | Very low | 33.7 | Very low | 235 Ų | 235 | 166 Ų | 166 | 89% | 0.887 | 82% | 0.815 | S | S | * | * | trans | -67.4 | 164.3 | -173.1 | -62 | 171.1 | 171.1 | 175.3 | -4 | 116.3 | ||||
| 386 | R | 30.9 | Very low | 33.7 | Very low | 244 Ų | 244 | 160.6 Ų | 160.6 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | 122.3 | 129.5 | 121.1 | -131.6 | 177.6 | -164.1 | 174.9 | 1.7 | 116.7 | |||||
| 387 | G | 33.5 | Very low | 33.7 | Very low | 70 Ų | 70 | 157.5 Ų | 157.5 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | trans | 112 | 89.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 388 | S | 30 | Very low | 33.8 | Very low | 104 Ų | 104 | 157 Ų | 157 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | 56.3 | 104.1 | 85.5 | -176.6 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 389 | Y | 37.6 | Very low | 33.6 | Very low | 217 Ų | 217 | 159.4 Ų | 159.4 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | trans | -168.1 | 118.4 | 130.5 | -94.7 | -70.1 | 0 | 0 | 0 | 110.1 | ||||
| 390 | D | 31.9 | Very low | 33.1 | Very low | 136 Ų | 136 | 162 Ų | 162 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | -56.7 | 132.5 | 166.4 | -100.4 | -47.8 | 0 | 0 | 0 | 111.5 | ||||
| 391 | H | 36.5 | Very low | 32.8 | Very low | 175 Ų | 175 | 158 Ų | 158 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | -135.9 | 89.6 | 152 | -85.4 | -72.1 | 0 | 0 | 0 | 110.1 | L393 | H391-L393 PolarHBondContact O-N 3.05Š| ||
| 392 | R | 29.4 | Very low | 32.5 | Very low | 214 Ų | 214 | 154.1 Ų | 154.1 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | trans | -59 | 109.1 | 158.8 | -71.3 | 177.8 | 175.8 | -174.1 | -2.7 | 109 | V394 | R392-V394 HydrophobicContact CB-CG2 4.17Å; R392-V394 PolarHBondContact O-N 3.15Å | ||
| 393 | L | 31.5 | Very low | 32.5 | Very low | 172 Ų | 172 | 150.7 Ų | 150.7 | 90% | 0.901 | 79% | 0.794 | S | S | * | * | trans | -83.9 | 92.2 | 159.4 | -86.6 | 152.3 | 0 | 0 | 0 | 107.5 | H391 C395 | H391-L393 PolarHBondContact O-N 3.05Å; L393-C395 PolarHBondContact O-N 2.84Å | ||
| 394 | V | 33 | Very low | 32.4 | Very low | 115 Ų | 115 | 152.1 Ų | 152.1 | 70% | 0.697 | 79% | 0.793 | S | S | * | * | trans | -72.7 | 113 | 172.3 | 175.3 | 0 | 0 | 0 | 0 | 107.7 | R392 | R392-V394 HydrophobicContact CB-CG2 4.17Å; R392-V394 PolarHBondContact O-N 3.15Å | ||
| 395 | C | 31.1 | Very low | 32 | Very low | 111 Ų | 111 | 153.7 Ų | 153.7 | 75% | 0.75 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 132.5 | 160.3 | -63.9 | 0 | 0 | 0 | 0 | 108.5 | L393 | L393-C395 PolarHBondContact O-N 2.84Š|
| 396 | P | 39.6 | Very low | 31.8 | Very low | 114 Ų | 114 | 147.1 Ų | 147.1 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 138.8 | 171.7 | 28.8 | -33.2 | 0 | 0 | 0 | 109.1 | ||
| 397 | P | 37.6 | Very low | 31.6 | Very low | 105 Ų | 105 | 140.6 Ų | 140.6 | 68% | 0.682 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 154.6 | 176.1 | 29.9 | -33 | 0 | 0 | 0 | 110.2 | ||
| 398 | P | 36.1 | Very low | 31.3 | Very low | 122 Ų | 122 | 147.5 Ų | 147.5 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 137.3 | 171.5 | 30.1 | -31.1 | 0 | 0 | 0 | 108.7 | D400 | P398-D400 PolarHBondContact O-N 3.08Å; P398-D400 VanDerWaalsContact O-N 3.1Å |
| 399 | Y | 32.4 | Very low | 31 | Very low | 220 Ų | 220 | 149.4 Ų | 149.4 | 86% | 0.863 | 78% | 0.782 | S | S | * | * | trans | -63.1 | 110.3 | 171.5 | -83.7 | -93.5 | 0 | 0 | 0 | 109.5 | ||||
| 400 | D | 26.4 | Very low | 30.5 | Very low | 161 Ų | 161 | 143.4 Ų | 143.4 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | trans | -71.7 | 117.6 | 157.5 | -108.8 | -31 | 0 | 0 | 0 | 108.4 | P398 | P398-D400 PolarHBondContact O-N 3.08Å; P398-D400 VanDerWaalsContact O-N 3.1Å | ||
| 401 | L | 29.9 | Very low | 30.2 | Very low | 137 Ų | 137 | 146.9 Ų | 146.9 | 72% | 0.717 | 78% | 0.781 | S | S | * | * | trans | -125.1 | 81.9 | 164.4 | -106 | 151.6 | 0 | 0 | 0 | 107.1 | I403 | L401-I403 HydrophobicContact CD2-CD1 3.78Å; L401-I403 HydrophobicContact CD2-CG1 3.98Å; L401-I403 PolarHBondContact O-N 3.39Å | ||
| 402 | S | 24.3 | Very low | 29.7 | Very low | 110 Ų | 110 | 147.9 Ų | 147.9 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -65.9 | 112.7 | 154.8 | 65.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 403 | I | 30.9 | Very low | 29.8 | Very low | 145 Ų | 145 | 145 Ų | 145 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | trans | -130.1 | 113.9 | 155.5 | -62.3 | -178.3 | 0 | 0 | 0 | 107.3 | L401 H405 | L401-I403 HydrophobicContact CD2-CD1 3.78Å; L401-I403 HydrophobicContact CD2-CG1 3.98Å; L401-I403 PolarHBondContact O-N 3.39Å; I403-H405 PolarHBondContact O-N 3.25Å | ||
| 404 | D | 29.2 | Very low | 29.8 | Very low | 155 Ų | 155 | 142.1 Ų | 142.1 | 83% | 0.829 | 78% | 0.777 | S | S | * | * | trans | -48.5 | 125.8 | 175.4 | -90.1 | -45.1 | 0 | 0 | 0 | 113.5 | ||||
| 405 | H | 28.6 | Very low | 29.8 | Very low | 165 Ų | 165 | 142.3 Ų | 142.3 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | trans | 15.9 | 109.2 | 131.8 | -94.1 | -82.5 | 0 | 0 | 0 | 119.7 | I403 | I403-H405 PolarHBondContact O-N 3.25Š| ||
| 406 | S | 27.8 | Very low | 30 | Very low | 97 Ų | 97 | 141.9 Ų | 141.9 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | 63.1 | 105.5 | 117.3 | 63.9 | 0 | 0 | 0 | 0 | 120 | |||||
| 407 | S | 26.1 | Very low | 29.6 | Very low | 108 Ų | 108 | 142.4 Ų | 142.4 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | -165.2 | 93.4 | 131.6 | 53.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 408 | F | 27 | Very low | 29.3 | Very low | 215 Ų | 215 | 147.8 Ų | 147.8 | 94% | 0.943 | 79% | 0.788 | S | S | * | * | trans | -128.2 | 109.9 | 161.1 | -87.8 | -79.9 | 0 | 0 | 0 | 109.9 | ||||
| 409 | I | 24.7 | Very low | 29 | Very low | 144 Ų | 144 | 147.8 Ų | 147.8 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 116.2 | 169.3 | -64.3 | 167.3 | 0 | 0 | 0 | 106.5 | Y411 | I409-Y411 HydrophobicContact CG2-CE2 4.21Š|
| 410 | A | 26.7 | Very low | 28.9 | Very low | 90 Ų | 90 | 145.8 Ų | 145.8 | 74% | 0.744 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 118.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 411 | Y | 25.9 | Very low | 29.1 | Very low | 209 Ų | 209 | 143.1 Ų | 143.1 | 82% | 0.82 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 121.1 | 166.4 | -73.7 | -89.1 | 0 | 0 | 0 | 109.2 | I409 | I409-Y411 HydrophobicContact CG2-CE2 4.21Š|
| 412 | Q | 25.6 | Very low | 29.1 | Very low | 197 Ų | 197 | 140.3 Ų | 140.3 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 119.8 | 171.8 | -85.7 | 174.8 | -21.7 | 0 | 0 | 110.3 | ||
| 413 | I | 31.7 | Very low | 29.3 | Very low | 153 Ų | 153 | 141.7 Ų | 141.7 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | -110.6 | 129.1 | 163.4 | -58.2 | 174.7 | 0 | 0 | 0 | 106.7 | ||||
| 414 | P | 31.3 | Very low | 29.2 | Very low | 112 Ų | 112 | 146 Ų | 146 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 148.9 | -176.2 | 29.8 | -33.3 | 0 | 0 | 0 | 112.7 | ||
| 415 | P | 33.8 | Very low | 29.2 | Very low | 119 Ų | 119 | 146.6 Ų | 146.6 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 155.2 | 177.9 | 33 | -33.8 | 0 | 0 | 0 | 112.7 | ||
| 416 | P | 33.4 | Very low | 29 | Very low | 101 Ų | 101 | 147.3 Ų | 147.3 | 66% | 0.656 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 157 | 174.6 | 33.8 | -32.9 | 0 | 0 | 0 | 112.1 | ||
| 417 | P | 33 | Very low | 29 | Very low | 126 Ų | 126 | 152.1 Ų | 152.1 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 140.8 | -178 | 35.1 | -30.2 | 0 | 0 | 0 | 111.9 | ||
| 418 | Y | 30.7 | Very low | 29.1 | Very low | 218 Ų | 218 | 154.7 Ų | 154.7 | 86% | 0.855 | 84% | 0.835 | S | S | * | * | trans | -120.6 | 134.6 | 164 | -75.4 | -76 | 0 | 0 | 0 | 110.8 | ||||
| 419 | S | 29.7 | Very low | 29.2 | Very low | 121 Ų | 121 | 154.2 Ų | 154.2 | 85% | 0.846 | 83% | 0.827 | S | S | * | * | trans | -81 | 131.9 | 179.1 | 56.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 420 | L | 30.1 | Very low | 29.6 | Very low | 179 Ų | 179 | 152.9 Ų | 152.9 | 94% | 0.937 | 83% | 0.827 | S | S | * | * | trans | -93.6 | 127.8 | 168.6 | -93.1 | 125.8 | 0 | 0 | 0 | 110.7 | ||||
| 421 | A | 30.2 | Very low | 30.1 | Very low | 105 Ų | 105 | 151.9 Ų | 151.9 | 87% | 0.868 | 81% | 0.809 | S | S | * | * | trans | -134.5 | 129.9 | 160.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 422 | G | 31.3 | Very low | 30.7 | Very low | 78 Ų | 78 | 144.8 Ų | 144.8 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | 118.1 | 69 | 150.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 423 | T | 26.6 | Very low | 31.4 | Very low | 138 Ų | 138 | 142 Ų | 142 | 85% | 0.847 | 79% | 0.785 | S | S | * | * | trans | -65 | 135.9 | 150.4 | 35.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 424 | R | 30.2 | Very low | 31.8 | Very low | 235 Ų | 235 | 137.6 Ų | 137.6 | 89% | 0.887 | 76% | 0.762 | S | S | * | * | trans | -165.5 | 114.7 | 143.5 | -106.8 | 177.2 | -161.9 | -165.5 | 5 | 113.6 | ||||
| 425 | L | 28.6 | Very low | 32.5 | Very low | 168 Ų | 168 | 135.8 Ų | 135.8 | 88% | 0.88 | 75% | 0.749 | S | S | * | * | trans | 62.9 | 128.1 | 134.1 | -69.5 | 163.9 | 0 | 0 | 0 | 122 | ||||
| 426 | M | 23.9 | Very low | 33.1 | Very low | 181 Ų | 181 | 133.4 Ų | 133.4 | 89% | 0.892 | 72% | 0.724 | S | S | * | * | trans | -69.9 | 146.3 | 177.2 | -60.9 | -136 | -135.9 | 0 | 0 | 113.7 | ||||
| 427 | Q | 28.5 | Very low | 33.5 | Very low | 198 Ų | 198 | 133.7 Ų | 133.7 | 93% | 0.925 | 73% | 0.726 | S | S | * | * | trans | -143 | 130.6 | 151.1 | -112.8 | 176.2 | 0.7 | 0 | 0 | 110 | ||||
| 428 | N | 27.2 | Very low | 34 | Very low | 161 Ų | 161 | 132.1 Ų | 132.1 | 86% | 0.861 | 71% | 0.711 | S | S | * | * | trans | -61.4 | 124.3 | -175.9 | -78.2 | -30.7 | 0 | 0 | 0 | 113.8 | ||||
| 429 | R | 29.5 | Very low | 34.6 | Very low | 206 Ų | 206 | 124.6 Ų | 124.6 | 78% | 0.777 | 70% | 0.7 | S | S | * | * | trans | -163.5 | 140 | 149.8 | -110.2 | -178.7 | -172 | 168.6 | 2.5 | 109.6 | D431 | R429-D431 VanDerWaalsContact C-N 3.25Å; R429-D431 PolarHBondContact O-N 2.93Å | ||
| 430 | P | 33.7 | Very low | 34.9 | Very low | 115 Ų | 115 | 125.8 Ų | 125.8 | 75% | 0.747 | 69% | 0.692 | S | S | * | * | trans | -80.4 | 77.4 | 179.6 | 33.8 | -30.5 | 0 | 0 | 0 | 109.1 | ||||
| 431 | D | 38.3 | Very low | 35.1 | Very low | 69 Ų | 69 | 129.1 Ų | 129.1 | 37% | 0.369 | 69% | 0.692 | S | S | . | * | trans | -97.1 | 109 | 178.8 | -63.4 | -24.4 | 0 | 0 | 0 | 109.1 | R429 K433 | R429-D431 VanDerWaalsContact C-N 3.25Å; R429-D431 PolarHBondContact O-N 2.93Å; D431-K433 PolarHBondContact O-N 2.8Å | ||
| 432 | G | 36.8 | Very low | 35.2 | Very low | 60 Ų | 60 | 131.4 Ų | 131.4 | 62% | 0.619 | 68% | 0.682 | S | S | * | * | trans | -65.4 | 127.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 433 | K | 41 | Very low | 35 | Very low | 139 Ų | 139 | 137 Ų | 137 | 60% | 0.604 | 69% | 0.69 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -117.7 | 133.2 | -178 | -68 | 177.8 | -175.2 | 172.1 | 0 | 110.5 | D431 | D431-K433 PolarHBondContact O-N 2.8Å |
| 434 | I | 40.2 | Very low | 35.4 | Very low | 61 Ų | 61 | 134 Ų | 134 | 31% | 0.313 | 67% | 0.672 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.3 | 122.8 | 169.9 | -61.3 | 175.3 | 0 | 0 | 0 | 107.7 | Y462 | I434-Y462 HydrophobicContact CG2-CD1 3.39Å; I434-Y462 HydrophobicContact CG2-CE1 4.03Å; I434-Y462 HydrophobicContact CG2-CG 4.32Å |
| 435 | V | 46.5 | Very low | 35.4 | Very low | 73 Ų | 73 | 126 Ų | 126 | 44% | 0.442 | 65% | 0.652 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.7 | 127.9 | -179.7 | -175.5 | 0 | 0 | 0 | 0 | 109.7 | ||
| 436 | R | 45.7 | Very low | 35.6 | Very low | 69 Ų | 69 | 123.7 Ų | 123.7 | 26% | 0.26 | 65% | 0.646 | S | S | . | * | trans | -79.2 | 155.4 | 172.6 | -78.8 | -174.4 | -169.7 | -151.1 | -6.3 | 111.5 | D438 G439 D458 Y462 | R436-D438 VanDerWaalsContact CB-OD1 3.27Å; R436-D438 WeakPolarHBondContact CB-OD1 3.45Å; R436-D438 PolarHBondContact O-N 3.26Å; R436-D438 VanDerWaalsContact O-N 3.12Å; R436-G439 PolarHBondContact O-N 2.82Å; R436-D458 IonicContact CZ-OD1 3.1Å; R436-D458 IonicContact NH1-OD1 2.8Å; R436-D458 PolarHBondContact NH1-OD1 3.22Å; R436-D458 IonicContact NH2-OD1 2.67Å; R436-D458 PolarHBondContact NH2-OD1 3.3Å; R436-Y462 HydrophobicContact CG-CE1 3.88Å | ||
| 437 | P | 42 | Very low | 36.3 | Very low | 107 Ų | 107 | 119.4 Ų | 119.4 | 70% | 0.695 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -16.1 | 178.5 | -20.6 | 31.4 | 0 | 0 | 0 | 115.6 | ||
| 438 | D | 44.3 | Very low | 36.8 | Very low | 93 Ų | 93 | 115.2 Ų | 115.2 | 50% | 0.497 | 62% | 0.618 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.2 | 1.3 | -173.2 | 65.9 | -4.3 | 0 | 0 | 0 | 114.3 | R436 Q440 | R436-D438 VanDerWaalsContact CB-OD1 3.27Å; R436-D438 WeakPolarHBondContact CB-OD1 3.45Å; R436-D438 PolarHBondContact O-N 3.26Å; R436-D438 VanDerWaalsContact O-N 3.12Å; D438-Q440 PolarHBondContact O-N 2.83Å; D438-Q440 VanDerWaalsContact O-N 3.08Å; D438-Q440 PolarHBondContact OD1-N 2.77Å; D438-Q440 VanDerWaalsContact OD1-N 3.08Å |
| 439 | G | 43.2 | Very low | 37.8 | Very low | 61 Ų | 61 | 109.8 Ų | 109.8 | 63% | 0.629 | 59% | 0.593 | S | S | * | * | trans | 66.8 | 3.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | R436 R441 | R436-G439 PolarHBondContact O-N 2.82Å; G439-R441 PolarHBondContact O-N 3.36Å | ||
| 440 | Q | 34.6 | Very low | 38.5 | Very low | 146 Ų | 146 | 106.8 Ų | 106.8 | 68% | 0.682 | 59% | 0.586 | S | S | * | * | trans | -81.2 | 118.7 | 177.4 | -70 | -157.7 | -0.4 | 0 | 0 | 111 | D438 K442 | D438-Q440 PolarHBondContact O-N 2.83Å; D438-Q440 VanDerWaalsContact O-N 3.08Å; D438-Q440 PolarHBondContact OD1-N 2.77Å; D438-Q440 VanDerWaalsContact OD1-N 3.08Å; Q440-K442 PolarHBondContact O-N 2.86Å | ||
| 441 | R | 34.3 | Very low | 39.3 | Very low | 249 Ų | 249 | 103.5 Ų | 103.5 | 94% | 0.94 | 56% | 0.561 | S | S | * | * | trans | -77.4 | 97.9 | 177.9 | -63.6 | -179.1 | -176.7 | -175.2 | 1.5 | 109.8 | G439 | G439-R441 PolarHBondContact O-N 3.36Š| ||
| 442 | K | 32.7 | Very low | 39.6 | Very low | 152 Ų | 152 | 107.7 Ų | 107.7 | 66% | 0.661 | 58% | 0.582 | S | S | * | * | trans | -86.8 | 121.4 | 153.3 | -106.5 | 180 | 177.1 | 174.1 | 0 | 108.1 | Q440 V444 | Q440-K442 PolarHBondContact O-N 2.86Å; K442-V444 PolarHBondContact O-N 2.87Å; K442-V444 VanDerWaalsContact O-N 3.09Å | ||
| 443 | M | 28.2 | Very low | 40 | Very low | 195 Ų | 195 | 109.5 Ų | 109.5 | 96% | 0.961 | 59% | 0.585 | S | S | * | * | trans | -52.9 | 111.4 | -179.7 | -79.4 | 169.9 | 68.5 | 0 | 0 | 110.6 | ||||
| 444 | V | 34.1 | Very low | 40.6 | Very low | 77 Ų | 77 | 103.3 Ų | 103.3 | 47% | 0.467 | 56% | 0.56 | S | S | . | * | trans | -100.2 | 130.1 | 161.4 | -177.9 | 0 | 0 | 0 | 0 | 106 | K442 | K442-V444 PolarHBondContact O-N 2.87Å; K442-V444 VanDerWaalsContact O-N 3.09Å | ||
| 445 | S | 31.2 | Very low | 41.4 | Very low | 67 Ų | 67 | 102.2 Ų | 102.2 | 47% | 0.469 | 56% | 0.558 | S | S | . | * | trans | -54.3 | 138.4 | 179.2 | -177.4 | 0 | 0 | 0 | 0 | 110.5 | S447 D448 | S445-S447 PolarHBondContact O-N 2.03Å; S445-S447 PolarHBondContact OG-OG 2.81Å; S445-D448 PolarHBondContact O-N 2.88Å | ||
| 446 | P | 31.9 | Very low | 41.8 | Very low | 118 Ų | 118 | 103.4 Ų | 103.4 | 77% | 0.766 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -4.2 | -177.6 | -18 | 30.2 | 0 | 0 | 0 | 115.1 | ||
| 447 | S | 38 | Very low | 42.3 | Very low | 91 Ų | 91 | 108.8 Ų | 108.8 | 64% | 0.636 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123 | -8.3 | -171.6 | 55.1 | 0 | 0 | 0 | 0 | 115.1 | S445 | S445-S447 PolarHBondContact O-N 2.03Å; S445-S447 PolarHBondContact OG-OG 2.81Å |
| 448 | D | 39 | Very low | 43 | Very low | 110 Ų | 110 | 104.5 Ų | 104.5 | 59% | 0.588 | 56% | 0.558 | S | S | * | * | trans | -143.1 | 99.1 | -176.8 | -70.7 | -60.9 | 0 | 0 | 0 | 110.3 | S445 K450 | S445-D448 PolarHBondContact O-N 2.88Å; D448-K450 PolarHBondContact O-N 2.94Å | ||
| 449 | S | 48.4 | Very low | 43.7 | Very low | 48 Ų | 48 | 104.5 Ų | 104.5 | 34% | 0.336 | 55% | 0.553 | S | S | . | * | trans | -72.8 | 57.9 | 173.7 | 50.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 450 | K | 44.1 | Very low | 44.6 | Very low | 143 Ų | 143 | 102.3 Ų | 102.3 | 62% | 0.622 | 53% | 0.53 | S | S | * | . | trans | -118.3 | 119.9 | -177.7 | -156.9 | 172.7 | -173.9 | 175.8 | 0 | 110.4 | D448 I452 | D448-K450 PolarHBondContact O-N 2.94Å; K450-I452 PolarHBondContact O-N 3.02Å | ||
| 451 | I | 50.7 | Low | 45.6 | Very low | 45 Ų | 45 | 98 Ų | 98 | 23% | 0.231 | 51% | 0.511 | C | S | . | . | trans | -79 | 115.2 | 169.6 | -59.5 | 176.1 | 0 | 0 | 0 | 106.8 | S453 A454 L479 L510 | I451-S453 WeakPolarHBondContact CG2-O 3.36Å; I451-A454 HydrophobicContact CG2-CB 4.23Å; I451-L479 HydrophobicContact CD1-CD1 4.19Å; I451-L479 HydrophobicContact CD1-CD2 4.02Å; I451-L510 HydrophobicContact CB-CD1 4.47Å; I451-L510 HydrophobicContact CG2-CD1 4.33Å; I451-L510 WeakPolarHBondContact O-CD1 3.46Å | ||
| 452 | I | 45.9 | Very low | 46.7 | Very low | 158 Ų | 158 | 87.4 Ų | 87.4 | 81% | 0.81 | 47% | 0.471 | S | S | * | . | trans | -88 | -23.9 | -173.9 | -58.7 | 172.5 | 0 | 0 | 0 | 111.6 | K450 | K450-I452 PolarHBondContact O-N 3.02Š| ||
| 453 | S | 43.9 | Very low | 47.5 | Very low | 97 Ų | 97 | 81.6 Ų | 81.6 | 68% | 0.678 | 45% | 0.448 | S | S | * | . | trans | -156.8 | 145.6 | 172.1 | 57.6 | 0 | 0 | 0 | 0 | 109.6 | I451 | I451-S453 WeakPolarHBondContact CG2-O 3.36Š| ||
| 454 | A | 53.4 | Low | 48.7 | Very low | 9 Ų | 9 | 72.9 Ų | 72.9 | 7% | 0.074 | 41% | 0.406 | C | S | . | . | trans | -132.3 | 141.3 | 178 | 0 | 0 | 0 | 0 | 0 | 109.9 | I451 D458 L479 V481 Y508 | I451-A454 HydrophobicContact CG2-CB 4.23Å; A454-D458 HydrophobicContact CB-CB 4.38Å; A454-L479 HydrophobicContact CB-CD2 4.26Å; A454-V481 HydrophobicContact CB-CG2 3.77Å; A454-Y508 WeakPolarHBondContact O-CB 3.42Å; A454-Y508 WeakPolarHBondContact O-CD2 3.48Å | ||
| 455 | S | 57.1 | Low | 49.5 | Very low | 38 Ų | 38 | 70.6 Ų | 70.6 | 27% | 0.266 | 39% | 0.391 | S | S | . | . | trans | -109 | 170.6 | 174.8 | 67.3 | 0 | 0 | 0 | 0 | 110.6 | E457 D458 | S455-E457 PolarHBondContact O-N 2.82Å; S455-D458 WeakPolarHBondContact CB-OD2 2.99Å; S455-D458 PolarHBondContact N-OD2 3.32Å; S455-D458 WeakPolarHBondContact O-CB 2.86Å; S455-D458 PolarHBondContact O-N 2.87Å; S455-D458 PolarHBondContact OG-OD2 3.37Å | ||
| 456 | E | 56.2 | Low | 50.5 | Low | 98 Ų | 98 | 69.1 Ų | 69.1 | 46% | 0.458 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -60.4 | -25.8 | 175.7 | -169.9 | 136.4 | -141.3 | 0 | 0 | 112.7 | D458 K459 | E456-D458 VanDerWaalsContact C-N 3.27Å; E456-D458 PolarHBondContact O-N 3.37Å; E456-K459 HydrophobicContact CG-CD 4.3Å; E456-K459 WeakPolarHBondContact O-CG 3.36Å; E456-K459 IonicContact OE1-NZ 2.72Å; E456-K459 PolarHBondContact OE1-NZ 3.34Å |
| 457 | E | 55.7 | Low | 51.2 | Low | 182 Ų | 182 | 70.3 Ų | 70.3 | 85% | 0.85 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -73 | -16.5 | 174.2 | -58.1 | -178.7 | 174 | 0 | 0 | 113.3 | S455 | S455-E457 PolarHBondContact O-N 2.82Š|
| 458 | D | 55.9 | Low | 51.4 | Low | 17 Ų | 17 | 69.6 Ų | 69.6 | 9% | 0.091 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -90.5 | -0.1 | -179.7 | -59.1 | -56.6 | 0 | 0 | 0 | 112.7 | R436 A454 S455 E456 G460 Y462 L479 | R436-D458 IonicContact CZ-OD1 3.1Å; R436-D458 IonicContact NH1-OD1 2.8Å; R436-D458 PolarHBondContact NH1-OD1 3.22Å; R436-D458 IonicContact NH2-OD1 2.67Å; R436-D458 PolarHBondContact NH2-OD1 3.3Å; A454-D458 HydrophobicContact CB-CB 4.38Å; S455-D458 WeakPolarHBondContact CB-OD2 2.99Å; S455-D458 PolarHBondContact N-OD2 3.32Å; S455-D458 WeakPolarHBondContact O-CB 2.86Å; S455-D458 PolarHBondContact O-N 2.87Å; S455-D458 PolarHBondContact OG-OD2 3.37Å; E456-D458 VanDerWaalsContact C-N 3.27Å; E456-D458 PolarHBondContact O-N 3.37Å; D458-G460 PolarHBondContact O-N 3.41Å; D458-Y462 PolarHBondContact O-OH 3.13Å; D458-L479 HydrophobicContact CB-CD2 4.43Å; D458-L479 WeakPolarHBondContact O-CD2 3.4Å |
| 459 | K | 58.7 | Low | 51.6 | Low | 94 Ų | 94 | 71.8 Ų | 71.8 | 41% | 0.409 | 37% | 0.374 | S | S | . | . | trans | -63.5 | 123.8 | 174.6 | -70.4 | 176.4 | -179.9 | 177.1 | 0 | 110 | E456 V481 | E456-K459 HydrophobicContact CG-CD 4.3Å; E456-K459 WeakPolarHBondContact O-CG 3.36Å; E456-K459 IonicContact OE1-NZ 2.72Å; E456-K459 PolarHBondContact OE1-NZ 3.34Å; K459-V481 WeakPolarHBondContact CE-O 3.1Å; K459-V481 HydrophobicContact CG-CB 4.05Å; K459-V481 HydrophobicContact CG-CG2 4.07Å; K459-V481 PolarHBondContact NZ-O 3.47Å | ||
| 460 | G | 62.6 | Low | 51.3 | Low | 14 Ų | 14 | 75.5 Ų | 75.5 | 14% | 0.144 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.7 | 175.8 | 180 | 0 | 0 | 0 | 0 | 0 | 114.6 | D458 Y462 L479 | D458-G460 PolarHBondContact O-N 3.41Å; G460-Y462 WeakPolarHBondContact O-CD2 3.25Å; G460-L479 PolarHBondContact O-N 2.95Å |
| 461 | E | 55.6 | Low | 51.2 | Low | 57 Ų | 57 | 70.6 Ų | 70.6 | 27% | 0.266 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 128.2 | 172.2 | -169.5 | 172.1 | -157.2 | 0 | 0 | 109.3 | T230 | T230-E461 WeakPolarHBondContact CG2-OE1 3.47Å |
| 462 | Y | 57.4 | Low | 51.3 | Low | 25 Ų | 25 | 72.3 Ų | 72.3 | 10% | 0.098 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 133.4 | -179.7 | -73.2 | -87.1 | 0 | 0 | 0 | 109.2 | I434 R436 D458 G460 N477 L479 | I434-Y462 HydrophobicContact CG2-CD1 3.39Å; I434-Y462 HydrophobicContact CG2-CE1 4.03Å; I434-Y462 HydrophobicContact CG2-CG 4.32Å; R436-Y462 HydrophobicContact CG-CE1 3.88Å; D458-Y462 PolarHBondContact O-OH 3.13Å; G460-Y462 WeakPolarHBondContact O-CD2 3.25Å; Y462-N477 PolarHBondContact N-O 3.37Å; Y462-N477 PolarHBondContact O-N 3.29Å; Y462-L479 HydrophobicContact CD2-CB 3.71Å; Y462-L479 HydrophobicContact CE2-CB 3.39Å; Y462-L479 HydrophobicContact CE2-CD2 3.71Å; Y462-L479 HydrophobicContact CE2-CG 4.17Å |
| 463 | T | 49.9 | Very low | 51.4 | Low | 30 Ų | 30 | 73.7 Ų | 73.7 | 18% | 0.184 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 125.3 | 178.6 | -52.5 | 0 | 0 | 0 | 0 | 110.2 | I465 R474 F475 Y476 | T463-I465 HydrophobicContact CG2-CG1 3.96Å; T463-R474 HydrophobicContact CG2-CB 4.22Å; T463-R474 HydrophobicContact CG2-CG 4.5Å; T463-F475 CarbonylContact C-O 3.51Å; T463-F475 WeakPolarHBondContact CA-O 3.33Å; T463-Y476 HydrophobicContact CG2-CD1 4.38Å; T463-Y476 HydrophobicContact CG2-CE1 4.17Å |
| 464 | C | 53.9 | Low | 51.9 | Low | 12 Ų | 12 | 73.9 Ų | 73.9 | 8% | 0.081 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 114.7 | 169.3 | -107.9 | 0 | 0 | 0 | 0 | 107.7 | R474 F475 C518 | C464-R474 CarbonylContact O-C 3.51Å; C464-R474 WeakPolarHBondContact O-CA 3.23Å; C464-F475 HydrophobicContact CB-CB 3.95Å; C464-F475 PolarHBondContact N-O 3.02Å; C464-F475 PolarHBondContact O-N 3.05Å; C464-C518 WeakPolarHBondContact CB-SG 3.47Å; C464-C518 WeakPolarHBondContact SG-CB 3.29Å; C464-C518 CovalentContact SG-SG 2.06Å; C464-C518 PolarHBondContact SG-SG 2.99Å |
| 465 | I | 50.6 | Low | 51.9 | Low | 29 Ų | 29 | 77.3 Ų | 77.3 | 15% | 0.149 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 123.7 | 176.5 | -53.1 | 179.1 | 0 | 0 | 0 | 109 | T463 W467 E472 R474 | T463-I465 HydrophobicContact CG2-CG1 3.96Å; I465-W467 HydrophobicContact CB-CZ2 4.37Å; I465-W467 HydrophobicContact CG2-CD2 4.14Å; I465-W467 HydrophobicContact CG2-CE3 4.42Å; I465-W467 HydrophobicContact CG2-CH2 3.92Å; I465-W467 HydrophobicContact CG2-CZ2 3.58Å; I465-W467 HydrophobicContact CG2-CZ3 4.32Å; I465-E472 HydrophobicContact CG2-CG 3.64Å; I465-E472 VanDerWaalsContact CG2-OE1 3.29Å; I465-E472 WeakPolarHBondContact CG2-OE1 3.42Å; I465-R474 HydrophobicContact CG1-CG 4.35Å |
| 466 | V | 51.6 | Low | 51.6 | Low | 37 Ų | 37 | 79.6 Ų | 79.6 | 22% | 0.224 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 128.4 | 176.7 | -173.5 | 0 | 0 | 0 | 0 | 108.8 | R473 F475 W521 | V466-R473 PolarHBondContact N-O 2.9Å; V466-R473 PolarHBondContact O-N 2.98Å; V466-F475 HydrophobicContact CG2-CD2 4.21Å; V466-F475 HydrophobicContact CG2-CE2 3.99Å; V466-W521 HydrophobicContact CG1-CZ2 4.32Å |
| 467 | W | 46.2 | Very low | 51.4 | Low | 143 Ų | 143 | 77.2 Ų | 77.2 | 54% | 0.542 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 133.7 | 179.5 | -38.4 | 86.5 | 0 | 0 | 0 | 109 | I465 E472 | I465-W467 HydrophobicContact CB-CZ2 4.37Å; I465-W467 HydrophobicContact CG2-CD2 4.14Å; I465-W467 HydrophobicContact CG2-CE3 4.42Å; I465-W467 HydrophobicContact CG2-CH2 3.92Å; I465-W467 HydrophobicContact CG2-CZ2 3.58Å; I465-W467 HydrophobicContact CG2-CZ3 4.32Å; W467-E472 HydrophobicContact CE3-CB 4.46Å; W467-E472 HydrophobicContact CE3-CG 4.16Å; W467-E472 HydrophobicContact CZ3-CG 4.12Å |
| 468 | N | 43.3 | Very low | 51.2 | Low | 75 Ų | 75 | 74.3 Ų | 74.3 | 40% | 0.401 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 176.5 | 161.2 | 81.4 | -0.1 | 0 | 0 | 0 | 110.5 | V470 G471 W521 | N468-V470 PolarHBondContact O-N 3.18Å; N468-V470 VanDerWaalsContact O-N 3.14Å; N468-V470 VanDerWaalsContact OD1-CA 3.28Å; N468-V470 WeakPolarHBondContact OD1-CA 3.37Å; N468-V470 WeakPolarHBondContact OD1-CB 3.09Å; N468-V470 PolarHBondContact OD1-N 2Å; N468-G471 PolarHBondContact N-O 3.44Å; N468-G471 PolarHBondContact O-N 3.14Å; N468-G471 PolarHBondContact OD1-N 2.79Å; N468-G471 PolarHBondContact OD1-O 3.25Å; N468-G471 VanDerWaalsContact OD1-O 3.04Å; N468-W521 HydrophobicContact CB-CH2 4.39Å |
| 469 | V | 41.6 | Very low | 51.1 | Low | 156 Ų | 156 | 74.2 Ų | 74.2 | 95% | 0.945 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -9 | 178.8 | -64.7 | 0 | 0 | 0 | 0 | 114.4 | ||
| 470 | V | 43.5 | Very low | 50.9 | Low | 127 Ų | 127 | 75.8 Ų | 75.8 | 77% | 0.77 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.6 | -14.8 | -177 | -170.2 | 0 | 0 | 0 | 0 | 111.9 | N468 | N468-V470 PolarHBondContact O-N 3.18Å; N468-V470 VanDerWaalsContact O-N 3.14Å; N468-V470 VanDerWaalsContact OD1-CA 3.28Å; N468-V470 WeakPolarHBondContact OD1-CA 3.37Å; N468-V470 WeakPolarHBondContact OD1-CB 3.09Å; N468-V470 PolarHBondContact OD1-N 2Å |
| 471 | G | 40.9 | Very low | 50.5 | Low | 40 Ų | 40 | 75.7 Ų | 75.7 | 41% | 0.412 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 154.9 | -176.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115 | N468 | N468-G471 PolarHBondContact N-O 3.44Å; N468-G471 PolarHBondContact O-N 3.14Å; N468-G471 PolarHBondContact OD1-N 2.79Å; N468-G471 PolarHBondContact OD1-O 3.25Å; N468-G471 VanDerWaalsContact OD1-O 3.04Å |
| 472 | E | 52.9 | Low | 50.2 | Low | 80 Ų | 80 | 79.4 Ų | 79.4 | 37% | 0.374 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 132.8 | 178.1 | -175.1 | -174.1 | 163.5 | 0 | 0 | 110 | I465 W467 R474 | I465-E472 HydrophobicContact CG2-CG 3.64Å; I465-E472 VanDerWaalsContact CG2-OE1 3.29Å; I465-E472 WeakPolarHBondContact CG2-OE1 3.42Å; W467-E472 HydrophobicContact CE3-CB 4.46Å; W467-E472 HydrophobicContact CE3-CG 4.16Å; W467-E472 HydrophobicContact CZ3-CG 4.12Å; E472-R474 HydrophobicContact CG-CG 4.47Å; E472-R474 IonicContact OE1-CZ 2.93Å; E472-R474 VanDerWaalsContact OE1-CZ 3.23Å; E472-R474 IonicContact OE1-NE 3.8Å; E472-R474 PolarHBondContact OE1-NE 2.81Å; E472-R474 IonicContact OE1-NH2 3.92Å; E472-R474 PolarHBondContact OE1-NH2 3.3Å; E472-R474 IonicContact OE2-NH2 3.4Å; E472-R474 PolarHBondContact OE2-NH2 3.27Å |
| 473 | R | 47.7 | Very low | 49.9 | Very low | 188 Ų | 188 | 84.4 Ų | 84.4 | 71% | 0.709 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116 | 133.4 | 165.7 | -75.3 | -162.9 | -177.4 | -147.2 | 4.2 | 110.3 | V466 F475 | V466-R473 PolarHBondContact N-O 2.9Å; V466-R473 PolarHBondContact O-N 2.98Å; R473-F475 HydrophobicContact CB-CE2 4.31Å |
| 474 | R | 56.2 | Low | 49.8 | Very low | 100 Ų | 100 | 86.4 Ų | 86.4 | 38% | 0.377 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 134.5 | 176.8 | -61 | -174.5 | 178.6 | 163.9 | 8 | 110.5 | T463 C464 I465 E472 Y476 | T463-R474 HydrophobicContact CG2-CB 4.22Å; T463-R474 HydrophobicContact CG2-CG 4.5Å; C464-R474 CarbonylContact O-C 3.51Å; C464-R474 WeakPolarHBondContact O-CA 3.23Å; I465-R474 HydrophobicContact CG1-CG 4.35Å; E472-R474 HydrophobicContact CG-CG 4.47Å; E472-R474 IonicContact OE1-CZ 2.93Å; E472-R474 VanDerWaalsContact OE1-CZ 3.23Å; E472-R474 IonicContact OE1-NE 3.8Å; E472-R474 PolarHBondContact OE1-NE 2.81Å; E472-R474 IonicContact OE1-NH2 3.92Å; E472-R474 PolarHBondContact OE1-NH2 3.3Å; E472-R474 IonicContact OE2-NH2 3.4Å; E472-R474 PolarHBondContact OE2-NH2 3.27Å; R474-Y476 HydrophobicContact CB-CE2 4.29Å |
| 475 | F | 51.5 | Low | 49.1 | Very low | 81 Ų | 81 | 93.4 Ų | 93.4 | 36% | 0.355 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 133.1 | 172 | -60.9 | -89.6 | 0 | 0 | 0 | 109.3 | T463 C464 V466 R473 | T463-F475 CarbonylContact C-O 3.51Å; T463-F475 WeakPolarHBondContact CA-O 3.33Å; C464-F475 HydrophobicContact CB-CB 3.95Å; C464-F475 PolarHBondContact N-O 3.02Å; C464-F475 PolarHBondContact O-N 3.05Å; V466-F475 HydrophobicContact CG2-CD2 4.21Å; V466-F475 HydrophobicContact CG2-CE2 3.99Å; R473-F475 HydrophobicContact CB-CE2 4.31Å |
| 476 | Y | 52.1 | Low | 48.4 | Very low | 87 Ų | 87 | 102 Ų | 102 | 34% | 0.341 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 122.1 | -179.1 | -57.2 | -86.9 | 0 | 0 | 0 | 109.6 | P231 T463 R474 | P231-Y476 VanDerWaalsContact CD-OH 3.3Å; P231-Y476 WeakPolarHBondContact CD-OH 3.38Å; P231-Y476 WeakPolarHBondContact CG-OH 3.49Å; T463-Y476 HydrophobicContact CG2-CD1 4.38Å; T463-Y476 HydrophobicContact CG2-CE1 4.17Å; R474-Y476 HydrophobicContact CB-CE2 4.29Å |
| 477 | N | 50.6 | Low | 47.8 | Very low | 47 Ų | 47 | 104 Ų | 104 | 25% | 0.251 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 147.7 | 177.6 | -71.7 | -14.8 | 0 | 0 | 0 | 109.8 | Y462 A515 | Y462-N477 PolarHBondContact N-O 3.37Å; Y462-N477 PolarHBondContact O-N 3.29Å; N477-A515 PolarHBondContact ND2-O 3.44Å; N477-A515 VanDerWaalsContact ND2-O 3.12Å |
| 478 | H | 52.5 | Low | 47.4 | Very low | 121 Ų | 121 | 104.9 Ų | 104.9 | 56% | 0.56 | 54% | 0.542 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 123.1 | 179.2 | -149.4 | -69.2 | 0 | 0 | 0 | 110.1 | ||
| 479 | L | 54.7 | Low | 46.8 | Very low | 16 Ų | 16 | 109.8 Ų | 109.8 | 8% | 0.084 | 57% | 0.569 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.7 | 127.9 | 173.8 | -169.8 | 69 | 0 | 0 | 0 | 109.6 | I451 A454 D458 G460 Y462 V481 L510 | I451-L479 HydrophobicContact CD1-CD1 4.19Å; I451-L479 HydrophobicContact CD1-CD2 4.02Å; A454-L479 HydrophobicContact CB-CD2 4.26Å; D458-L479 HydrophobicContact CB-CD2 4.43Å; D458-L479 WeakPolarHBondContact O-CD2 3.4Å; G460-L479 PolarHBondContact O-N 2.95Å; Y462-L479 HydrophobicContact CD2-CB 3.71Å; Y462-L479 HydrophobicContact CE2-CB 3.39Å; Y462-L479 HydrophobicContact CE2-CD2 3.71Å; Y462-L479 HydrophobicContact CE2-CG 4.17Å; L479-V481 HydrophobicContact CD2-CG2 4.4Å; L479-V481 HydrophobicContact CG-CG2 4.43Å; L479-L510 HydrophobicContact CD1-CD2 4.42Å |
| 480 | I | 54.5 | Low | 46.8 | Very low | 126 Ų | 126 | 108.1 Ų | 108.1 | 65% | 0.646 | 55% | 0.553 | S | S | * | * | trans | -118 | 122.5 | 175.6 | -55.2 | 175.4 | 0 | 0 | 0 | 107.4 | Q482 | I480-Q482 HydrophobicContact CG2-CG 4.29Š| ||
| 481 | V | 53.2 | Low | 46.2 | Very low | 12 Ų | 12 | 113.2 Ų | 113.2 | 7% | 0.073 | 56% | 0.559 | C | S | . | * | trans | -106 | 117.6 | 174.6 | -176.6 | 0 | 0 | 0 | 0 | 108.3 | A454 K459 L479 Y508 | A454-V481 HydrophobicContact CB-CG2 3.77Å; K459-V481 WeakPolarHBondContact CE-O 3.1Å; K459-V481 HydrophobicContact CG-CB 4.05Å; K459-V481 HydrophobicContact CG-CG2 4.07Å; K459-V481 PolarHBondContact NZ-O 3.47Å; L479-V481 HydrophobicContact CD2-CG2 4.4Å; L479-V481 HydrophobicContact CG-CG2 4.43Å; V481-Y508 HydrophobicContact CG1-CD1 3.51Å; V481-Y508 HydrophobicContact CG1-CE1 3.99Å; V481-Y508 HydrophobicContact CG1-CG 3.8Å | ||
| 482 | Q | 49.8 | Very low | 45.9 | Very low | 136 Ų | 136 | 116.2 Ų | 116.2 | 64% | 0.636 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 137.4 | 176.4 | -69.7 | -176 | -28.4 | 0 | 0 | 110 | I480 Y508 | I480-Q482 HydrophobicContact CG2-CG 4.29Å; Q482-Y508 WeakPolarHBondContact O-CD1 3.32Å |
| 483 | Q | 50.3 | Low | 44.9 | Very low | 130 Ų | 130 | 118.2 Ų | 118.2 | 61% | 0.607 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 137.5 | 168.9 | -73.2 | 176.4 | -2.6 | 0 | 0 | 108.9 | L485 Y508 | Q483-L485 PolarHBondContact O-N 2.79Å; Q483-Y508 HydrophobicContact CG-CE1 3.88Å |
| 484 | P | 47.5 | Very low | 44 | Very low | 72 Ų | 72 | 117.2 Ų | 117.2 | 47% | 0.468 | 60% | 0.597 | S | S | . | * | P | Polyproline II helix | trans | -62.5 | 131.7 | 175.2 | 25.3 | -31.3 | 0 | 0 | 0 | 109.5 | E486 | P484-E486 PolarHBondContact O-N 3.45Š|
| 485 | L | 40.2 | Very low | 42.9 | Very low | 159 Ų | 159 | 118.5 Ų | 118.5 | 83% | 0.832 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 127 | 172.2 | -73.4 | 161.4 | 0 | 0 | 0 | 108.9 | Q483 G487 | Q483-L485 PolarHBondContact O-N 2.79Å; L485-G487 PolarHBondContact O-N 3.36Å |
| 486 | E | 36.2 | Very low | 41.7 | Very low | 210 Ų | 210 | 119.3 Ų | 119.3 | 98% | 0.981 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | 100.7 | 179.6 | -155.6 | 158.3 | -155.4 | 0 | 0 | 109.2 | P484 | P484-E486 PolarHBondContact O-N 3.45Š|
| 487 | G | 38.4 | Very low | 40.5 | Very low | 79 Ų | 79 | 123.4 Ų | 123.4 | 81% | 0.814 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 150.1 | -7.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | L485 | L485-G487 PolarHBondContact O-N 3.36Š|
| 488 | Q | 37.4 | Very low | 39.3 | Very low | 161 Ų | 161 | 124.6 Ų | 124.6 | 75% | 0.752 | 68% | 0.683 | S | S | * | * | trans | -106.5 | 113.3 | 178.5 | -75.7 | -173.2 | -8.7 | 0 | 0 | 113.2 | I490 | Q488-I490 HydrophobicContact CB-CG1 4.29Å; Q488-I490 PolarHBondContact O-N 2.87Å | ||
| 489 | N | 32 | Very low | 38.1 | Very low | 178 Ų | 178 | 129 Ų | 129 | 95% | 0.952 | 70% | 0.7 | S | S | * | * | trans | -69.6 | 88.4 | 169.7 | -94.7 | -37.7 | 0 | 0 | 0 | 110.6 | ||||
| 490 | I | 40.7 | Very low | 37 | Very low | 120 Ų | 120 | 133 Ų | 133 | 62% | 0.615 | 74% | 0.736 | S | S | * | * | trans | -95.4 | 105.6 | 173 | -53.9 | 177.9 | 0 | 0 | 0 | 108.6 | Q488 | Q488-I490 HydrophobicContact CB-CG1 4.29Å; Q488-I490 PolarHBondContact O-N 2.87Å | ||
| 491 | R | 31.6 | Very low | 35.6 | Very low | 235 Ų | 235 | 136.7 Ų | 136.7 | 89% | 0.887 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 121.5 | 174.1 | -165.3 | -176.5 | -68.7 | -127.8 | 2.5 | 108.5 | ||
| 492 | P | 34.8 | Very low | 34.5 | Very low | 102 Ų | 102 | 145.9 Ų | 145.9 | 66% | 0.662 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 149.4 | -179.4 | 29.2 | -32.7 | 0 | 0 | 0 | 111.5 | ||
| 493 | P | 30.7 | Very low | 33.4 | Very low | 122 Ų | 122 | 149.5 Ų | 149.5 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -73 | 139.2 | 175.9 | 31.4 | -32.8 | 0 | 0 | 0 | 110.5 | ||
| 494 | I | 28.9 | Very low | 32.3 | Very low | 167 Ų | 167 | 147 Ų | 147 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 116.8 | -178.6 | -61.2 | 164.4 | 0 | 0 | 0 | 108.2 | ||
| 495 | T | 32.7 | Very low | 31.5 | Very low | 128 Ų | 128 | 149.6 Ų | 149.6 | 79% | 0.785 | 83% | 0.826 | S | S | * | * | trans | -151.1 | 99 | 158.2 | -7.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 496 | S | 26.6 | Very low | 31.2 | Very low | 97 Ų | 97 | 147.9 Ų | 147.9 | 68% | 0.678 | 82% | 0.817 | S | S | * | * | trans | 17.2 | 142.4 | 153.2 | 71.1 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 497 | L | 27.4 | Very low | 31.1 | Very low | 174 Ų | 174 | 143.2 Ų | 143.2 | 91% | 0.911 | 81% | 0.805 | S | S | * | * | trans | 82.1 | 104.2 | 161.1 | -77.5 | 111.7 | 0 | 0 | 0 | 119.9 | ||||
| 498 | G | 26 | Very low | 30.9 | Very low | 72 Ų | 72 | 142.4 Ų | 142.4 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | 120.8 | 78.4 | 117.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 499 | K | 27.9 | Very low | 30.8 | Very low | 213 Ų | 213 | 138 Ų | 138 | 93% | 0.926 | 77% | 0.768 | S | S | * | * | trans | 74.3 | 130.9 | 146.4 | -65.9 | -179 | 178 | 177.3 | 0 | 120.7 | ||||
| 500 | A | 29.6 | Very low | 30.9 | Very low | 101 Ų | 101 | 132.8 Ų | 132.8 | 84% | 0.835 | 74% | 0.74 | S | S | * | * | trans | 83.9 | 88.2 | 154.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 501 | Q | 26.3 | Very low | 30.5 | Very low | 203 Ų | 203 | 133.6 Ų | 133.6 | 95% | 0.949 | 75% | 0.745 | S | S | * | * | trans | -55 | 128.7 | 156.9 | -78.5 | 175.8 | -53.3 | 0 | 0 | 111.5 | ||||
| 502 | K | 29.4 | Very low | 30.5 | Very low | 205 Ų | 205 | 131.7 Ų | 131.7 | 89% | 0.891 | 75% | 0.746 | S | S | * | * | trans | -129.7 | 134.5 | 149.6 | -135.8 | 176.3 | -175 | 179.8 | 0 | 108.1 | ||||
| 503 | K | 27.7 | Very low | 30.3 | Very low | 212 Ų | 212 | 129.2 Ų | 129.2 | 92% | 0.922 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -43.8 | 133.6 | -169 | -77.3 | 170.6 | 167.2 | 176.6 | 0 | 115.1 | ||
| 504 | G | 27.7 | Very low | 30.5 | Very low | 77 Ų | 77 | 129.4 Ų | 129.4 | 79% | 0.794 | 73% | 0.733 | S | S | * | * | trans | 84.3 | 74.5 | 144.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 505 | T | 30.4 | Very low | 30.8 | Very low | 126 Ų | 126 | 123.3 Ų | 123.3 | 77% | 0.773 | 71% | 0.707 | S | S | * | * | trans | -142.2 | 113.7 | 164.6 | -35 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 506 | I | 33.6 | Very low | 31.1 | Very low | 123 Ų | 123 | 118.6 Ų | 118.6 | 63% | 0.631 | 68% | 0.678 | S | S | * | * | trans | -66.7 | 127.9 | 174.6 | -59.8 | 169.8 | 0 | 0 | 0 | 107.2 | Y508 | I506-Y508 PolarHBondContact O-N 3.22Š| ||
| 507 | P | 33.8 | Very low | 31.7 | Very low | 112 Ų | 112 | 120.1 Ų | 120.1 | 73% | 0.727 | 67% | 0.673 | S | S | * | * | trans | -71.8 | 115.3 | 179.2 | 27.8 | -30.8 | 0 | 0 | 0 | 109.5 | ||||
| 508 | Y | 34.6 | Very low | 32.3 | Very low | 62 Ų | 62 | 113.7 Ų | 113.7 | 24% | 0.243 | 64% | 0.642 | C | S | . | * | trans | -74.2 | 123.2 | 165.4 | -67.1 | -86.6 | 0 | 0 | 0 | 108.5 | A454 V481 Q482 Q483 I506 | A454-Y508 WeakPolarHBondContact O-CB 3.42Å; A454-Y508 WeakPolarHBondContact O-CD2 3.48Å; V481-Y508 HydrophobicContact CG1-CD1 3.51Å; V481-Y508 HydrophobicContact CG1-CE1 3.99Å; V481-Y508 HydrophobicContact CG1-CG 3.8Å; Q482-Y508 WeakPolarHBondContact O-CD1 3.32Å; Q483-Y508 HydrophobicContact CG-CE1 3.88Å; I506-Y508 PolarHBondContact O-N 3.22Å | ||
| 509 | A | 35.1 | Very low | 33.2 | Very low | 68 Ų | 68 | 114.2 Ų | 114.2 | 56% | 0.562 | 63% | 0.632 | S | S | * | * | trans | -75.9 | 123 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | L511 | A509-L511 PolarHBondContact O-N 3.16Š| ||
| 510 | L | 33.6 | Very low | 33.7 | Very low | 70 Ų | 70 | 109.7 Ų | 109.7 | 37% | 0.366 | 63% | 0.625 | S | S | . | * | trans | -73.3 | 110.8 | 165.2 | -87.1 | 150.8 | 0 | 0 | 0 | 107.6 | I451 L479 E512 | I451-L510 HydrophobicContact CB-CD1 4.47Å; I451-L510 HydrophobicContact CG2-CD1 4.33Å; I451-L510 WeakPolarHBondContact O-CD1 3.46Å; L479-L510 HydrophobicContact CD1-CD2 4.42Å; L510-E512 PolarHBondContact O-N 3.34Å | ||
| 511 | L | 31.4 | Very low | 34 | Very low | 137 Ų | 137 | 112.8 Ų | 112.8 | 72% | 0.717 | 62% | 0.615 | S | S | * | * | trans | -62.3 | 126.2 | 156.4 | -100.6 | 100.1 | 0 | 0 | 0 | 106.8 | A509 S513 | A509-L511 PolarHBondContact O-N 3.16Å; L511-S513 PolarHBondContact O-N 3.21Å | ||
| 512 | E | 32.8 | Very low | 34.1 | Very low | 195 Ų | 195 | 108.5 Ų | 108.5 | 91% | 0.911 | 61% | 0.607 | S | S | * | * | trans | -60.1 | 83.9 | 170.6 | -70.5 | -177.2 | 159.7 | 0 | 0 | 109.2 | L510 | L510-E512 PolarHBondContact O-N 3.34Š| ||
| 513 | S | 29.4 | Very low | 33.9 | Very low | 50 Ų | 50 | 107.4 Ų | 107.4 | 35% | 0.35 | 60% | 0.603 | S | S | . | * | trans | -89.1 | 144.1 | 170.1 | 78.6 | 0 | 0 | 0 | 0 | 108.5 | L511 A515 T516 | L511-S513 PolarHBondContact O-N 3.21Å; S513-A515 PolarHBondContact O-N 3.16Å; S513-A515 WeakPolarHBondContact OG-CB 3.38Å; S513-T516 PolarHBondContact O-N 2.79Å; S513-T516 PolarHBondContact O-OG1 3.11Å | ||
| 514 | P | 35.3 | Very low | 33.7 | Very low | 126 Ų | 126 | 103.3 Ų | 103.3 | 82% | 0.818 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -59.9 | -8.3 | 175.2 | 22.3 | -30.9 | 0 | 0 | 0 | 113.4 | T516 | P514-T516 PolarHBondContact O-N 3.22Š|
| 515 | A | 35.4 | Very low | 33.6 | Very low | 38 Ų | 38 | 109.6 Ų | 109.6 | 31% | 0.314 | 63% | 0.629 | S | S | . | * | G | 310 helix | trans | -72.6 | -9.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | N477 S513 | N477-A515 PolarHBondContact ND2-O 3.44Å; N477-A515 VanDerWaalsContact ND2-O 3.12Å; S513-A515 PolarHBondContact O-N 3.16Å; S513-A515 WeakPolarHBondContact OG-CB 3.38Å |
| 516 | T | 38.4 | Very low | 33.8 | Very low | 30 Ų | 30 | 108.8 Ų | 108.8 | 18% | 0.184 | 62% | 0.622 | C | S | . | * | G | 310 helix | trans | -88.1 | -8.6 | -176.6 | -13 | 0 | 0 | 0 | 0 | 114.1 | S513 P514 | S513-T516 PolarHBondContact O-N 2.79Å; S513-T516 PolarHBondContact O-OG1 3.11Å; P514-T516 PolarHBondContact O-N 3.22Å |
| 517 | F | 39.9 | Very low | 33.8 | Very low | 129 Ų | 129 | 108 Ų | 108 | 57% | 0.566 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -119 | 131.9 | -177.1 | -77.7 | -88.8 | 0 | 0 | 0 | 111.6 | ||
| 518 | C | 41.2 | Very low | 33.8 | Very low | 39 Ų | 39 | 107.8 Ų | 107.8 | 26% | 0.264 | 62% | 0.615 | S | S | . | * | P | Polyproline II helix | trans | -71.1 | 123.9 | 160.8 | -125.4 | 0 | 0 | 0 | 0 | 106.4 | C464 | C464-C518 WeakPolarHBondContact CB-SG 3.47Å; C464-C518 WeakPolarHBondContact SG-CB 3.29Å; C464-C518 CovalentContact SG-SG 2.06Å; C464-C518 PolarHBondContact SG-SG 2.99Å |
| 519 | P | 43 | Very low | 33.7 | Very low | 82 Ų | 82 | 110.5 Ų | 110.5 | 53% | 0.532 | 64% | 0.637 | S | S | . | * | P | Polyproline II helix | trans | -65.8 | 135.9 | -172.2 | 23.3 | -31.9 | 0 | 0 | 0 | 112 | ||
| 520 | P | 39 | Very low | 33.6 | Very low | 119 Ų | 119 | 113.1 Ų | 113.1 | 77% | 0.773 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 143.2 | 168.7 | 28.7 | -30.9 | 0 | 0 | 0 | 109.9 | S522 | P520-S522 PolarHBondContact O-N 3.47Š|
| 521 | W | 35.7 | Very low | 33.6 | Very low | 165 Ų | 165 | 116 Ų | 116 | 63% | 0.625 | 66% | 0.66 | S | S | * | * | trans | -64.8 | 115.5 | -178.5 | -73.3 | 41.1 | 0 | 0 | 0 | 110.6 | V466 N468 | V466-W521 HydrophobicContact CG1-CZ2 4.32Å; N468-W521 HydrophobicContact CB-CH2 4.39Å | ||
| 522 | S | 28.6 | Very low | 33.8 | Very low | 113 Ų | 113 | 114.5 Ų | 114.5 | 79% | 0.79 | 66% | 0.656 | S | S | * | * | trans | -89 | 107.7 | 154.8 | 57.8 | 0 | 0 | 0 | 0 | 108 | P520 C524 | P520-S522 PolarHBondContact O-N 3.47Å; S522-C524 PolarHBondContact O-N 3.12Å | ||
| 523 | F | 25 | Very low | 33.9 | Very low | 183 Ų | 183 | 108.3 Ų | 108.3 | 80% | 0.803 | 64% | 0.637 | S | S | * | * | trans | -58.8 | 119.3 | 167 | -83.5 | -96.8 | 0 | 0 | 0 | 109.1 | ||||
| 524 | C | 23.5 | Very low | 34.3 | Very low | 126 Ų | 126 | 113.2 Ų | 113.2 | 85% | 0.851 | 66% | 0.66 | S | S | * | * | trans | -120.8 | 128.9 | 154.2 | -101.4 | 0 | 0 | 0 | 0 | 107.1 | S522 | S522-C524 PolarHBondContact O-N 3.12Š| ||
| 525 | C | 26 | Very low | 34.2 | Very low | 208 Ų | 208 | 112 Ų | 112 | 100% | 1.405 | 65% | 0.646 | S | S | * | * | trans | -53.3 | 0 | -169.7 | -67.6 | 0 | 0 | 0 | 0 | 115.5 |
Retrieved 525 of 525 residues in 947.9 ms
(Link to these results)