| 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 | 35.6 | Very low | 39.6 | Very low | 243 Ų | 243 | 130.7 Ų | 130.7 | 100% | 1.197 | 81% | 0.806 | S | S | * | * | 0 | 121.1 | 0 | -72.8 | 156.5 | 86.6 | 0 | 0 | 108.1 | |||||
| 2 | S | 37.5 | Very low | 39.8 | Very low | 114 Ų | 114 | 131.3 Ų | 131.3 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | 4.6 | 132.5 | 159 | -47.8 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 3 | N | 37.7 | Very low | 40 | Very low | 159 Ų | 159 | 136.2 Ų | 136.2 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | trans | 21.3 | 140.9 | 134 | -62.7 | -15.5 | 0 | 0 | 0 | 120.2 | ||||
| 4 | K | 42.3 | Very low | 40.4 | Very low | 177 Ų | 177 | 136.9 Ų | 136.9 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | 172.8 | 130.8 | 101.1 | -165.3 | 145.2 | -179 | 172.8 | 0 | 114.7 | |||||
| 5 | D | 41.9 | Very low | 41.4 | Very low | 119 Ų | 119 | 140.7 Ų | 140.7 | 64% | 0.636 | 81% | 0.805 | S | S | * | * | trans | 67.9 | 115.1 | 148.8 | -61.5 | -15.5 | 0 | 0 | 0 | 122.3 | ||||
| 6 | S | 42.6 | Very low | 42.4 | Very low | 103 Ų | 103 | 138.6 Ų | 138.6 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | 86.2 | 121.6 | 89.9 | -56.7 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 7 | S | 37.6 | Very low | 43.1 | Very low | 109 Ų | 109 | 135.8 Ų | 135.8 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | -170.1 | 134.6 | 59.5 | -62.3 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 8 | S | 45.2 | Very low | 44.8 | Very low | 114 Ų | 114 | 131.7 Ų | 131.7 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | trans | -60.6 | 139 | 151.5 | 50.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 9 | S | 38 | Very low | 46.3 | Very low | 116 Ų | 116 | 130.5 Ų | 130.5 | 81% | 0.811 | 75% | 0.749 | S | S | * | * | trans | -149.8 | 101.9 | 153.1 | -72.6 | 0 | 0 | 0 | 0 | 109.2 | A11 | S9-A11 PolarHBondContact O-N 3.32Š| ||
| 10 | A | 39 | Very low | 47.7 | Very low | 83 Ų | 83 | 128.1 Ų | 128.1 | 69% | 0.686 | 73% | 0.733 | S | S | * | * | trans | -45.6 | 133.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | N12 | A10-N12 VanDerWaalsContact C-N 3.31Å; A10-N12 PolarHBondContact O-N 3.07Å | ||
| 11 | A | 38.4 | Very low | 48.8 | Very low | 101 Ų | 101 | 126.5 Ų | 126.5 | 84% | 0.835 | 72% | 0.722 | S | S | * | * | trans | -56.9 | 101.4 | 162.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | S9 K13 | S9-A11 PolarHBondContact O-N 3.32Å; A11-K13 PolarHBondContact O-N 3.49Å | ||
| 12 | N | 41.1 | Very low | 50.8 | Low | 137 Ų | 137 | 119.1 Ų | 119.1 | 73% | 0.733 | 69% | 0.69 | S | S | * | * | trans | -58.4 | 105.6 | 172.5 | -80.2 | -60.7 | 0 | 0 | 0 | 107.1 | A10 D14 | A10-N12 VanDerWaalsContact C-N 3.31Å; A10-N12 PolarHBondContact O-N 3.07Å; N12-D14 PolarHBondContact O-N 3.34Å | ||
| 13 | K | 43.5 | Very low | 52.2 | Low | 196 Ų | 196 | 120 Ų | 120 | 85% | 0.852 | 68% | 0.679 | S | S | * | * | trans | -72.1 | 83.8 | 163.6 | -160.3 | 169.5 | -175.5 | 172.3 | 0 | 104.8 | A11 K15 | A11-K13 PolarHBondContact O-N 3.49Å; K13-K15 PolarHBondContact O-N 3.05Å | ||
| 14 | D | 45.3 | Very low | 54 | Low | 145 Ų | 145 | 119 Ų | 119 | 78% | 0.775 | 68% | 0.675 | S | S | * | * | trans | -50.8 | 104.9 | 173 | -79.3 | -67.4 | 0 | 0 | 0 | 107.4 | N12 D16 | N12-D14 PolarHBondContact O-N 3.34Å; D14-D16 PolarHBondContact O-N 3.03Å | ||
| 15 | K | 54.5 | Low | 55.6 | Low | 195 Ų | 195 | 114 Ų | 114 | 85% | 0.848 | 67% | 0.673 | S | S | * | * | trans | -64.5 | 104.2 | 169.4 | -66.1 | 175.7 | 179.4 | 176.1 | 0 | 104.5 | K13 S17 | K13-K15 PolarHBondContact O-N 3.05Å; K15-S17 PolarHBondContact O-N 3.49Å | ||
| 16 | D | 57.7 | Low | 56.8 | Low | 107 Ų | 107 | 112.9 Ų | 112.9 | 57% | 0.572 | 66% | 0.664 | S | S | * | * | trans | -51.6 | 104.7 | 171.6 | -160.8 | -84.9 | 0 | 0 | 0 | 107.2 | D14 T18 | D14-D16 PolarHBondContact O-N 3.03Å; D16-T18 VanDerWaalsContact C-N 3.26Å; D16-T18 PolarHBondContact O-N 3.43Å; D16-T18 PolarHBondContact O-OG1 3.05Å; D16-T18 PolarHBondContact OD1-OG1 3.41Å | ||
| 17 | S | 54.7 | Low | 58.6 | Low | 90 Ų | 90 | 113.8 Ų | 113.8 | 63% | 0.629 | 65% | 0.652 | S | S | * | * | trans | -78.3 | 86.7 | -176.4 | -167.1 | 0 | 0 | 0 | 0 | 106.8 | K15 | K15-S17 PolarHBondContact O-N 3.49Š| ||
| 18 | T | 73.7 | Confident | 60.4 | Low | 63 Ų | 63 | 112.5 Ų | 112.5 | 39% | 0.387 | 63% | 0.631 | S | S | . | * | trans | -81.5 | 117.1 | 178 | -46.3 | 0 | 0 | 0 | 0 | 109 | D16 F29 | D16-T18 VanDerWaalsContact C-N 3.26Å; D16-T18 PolarHBondContact O-N 3.43Å; D16-T18 PolarHBondContact O-OG1 3.05Å; D16-T18 PolarHBondContact OD1-OG1 3.41Å; T18-F29 HydrophobicContact CG2-CB 3.66Å; T18-F29 HydrophobicContact CG2-CD1 3.67Å; T18-F29 HydrophobicContact CG2-CG 4.14Å | ||
| 19 | L | 72.6 | Confident | 61.9 | Low | 108 Ų | 108 | 110.8 Ų | 110.8 | 57% | 0.565 | 61% | 0.609 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.6 | 123.1 | 178.5 | -164 | 157.5 | 0 | 0 | 0 | 108.9 | L21 V30 | L19-L21 HydrophobicContact CD2-CB 4.46Å; L19-V30 PolarHBondContact N-O 3.47Å; L19-V30 PolarHBondContact O-N 3.23Å |
| 20 | L | 74.9 | Confident | 63.4 | Low | 83 Ų | 83 | 106.8 Ų | 106.8 | 44% | 0.435 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.9 | 115.5 | 177.6 | -166.8 | 147.9 | 0 | 0 | 0 | 109.7 | R27 Y28 F29 | L20-R27 HydrophobicContact CD2-CB 4.33Å; L20-R27 HydrophobicContact CD2-CG 4.32Å; L20-Y28 WeakPolarHBondContact CA-O 3.33Å; L20-F29 HydrophobicContact CD1-CD1 4.36Å; L20-F29 HydrophobicContact CD1-CE1 3.66Å; L20-F29 HydrophobicContact CD1-CZ 3.8Å; L20-F29 HydrophobicContact CG-CE1 4.42Å |
| 21 | L | 70.8 | Confident | 65.1 | Low | 95 Ų | 95 | 105 Ų | 105 | 50% | 0.497 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.1 | 126.7 | 178.7 | -166.1 | 67 | 0 | 0 | 0 | 109.5 | L19 Y28 | L19-L21 HydrophobicContact CD2-CB 4.46Å; L21-Y28 PolarHBondContact N-O 3.41Å; L21-Y28 PolarHBondContact O-N 3.42Å |
| 22 | T | 76.9 | Confident | 66.4 | Low | 87 Ų | 87 | 109.2 Ų | 109.2 | 53% | 0.534 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.9 | 119 | 175.7 | -53.4 | 0 | 0 | 0 | 0 | 108.8 | Q26 | T22-Q26 WeakPolarHBondContact CA-O 3.25Å |
| 23 | K | 68.3 | Low | 67.6 | Low | 132 Ų | 132 | 107.5 Ų | 107.5 | 57% | 0.574 | 56% | 0.56 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -134.9 | 132.5 | 175.2 | -165.9 | -172.3 | 169.7 | -176.9 | 0 | 108.4 | G25 Q26 Y28 | K23-G25 PolarHBondContact O-N 3.22Å; K23-G25 VanDerWaalsContact O-N 3.13Å; K23-Q26 PolarHBondContact N-O 3.21Å; K23-Q26 PolarHBondContact O-N 3.44Å; K23-Y28 HydrophobicContact CB-CE2 4.25Å |
| 24 | D | 75.9 | Confident | 68.2 | Low | 140 Ų | 140 | 101 Ų | 101 | 75% | 0.749 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 26.1 | 178 | -50.2 | -47.4 | 0 | 0 | 0 | 114.5 | Q26 | D24-Q26 VanDerWaalsContact C-N 3.29Å; D24-Q26 PolarHBondContact O-N 2.99Å |
| 25 | G | 74.2 | Confident | 68.8 | Low | 72 Ų | 72 | 97 Ų | 97 | 74% | 0.742 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.2 | -0.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | K23 | K23-G25 PolarHBondContact O-N 3.22Å; K23-G25 VanDerWaalsContact O-N 3.13Å |
| 26 | Q | 68.9 | Low | 69 | Low | 94 Ų | 94 | 92.7 Ų | 92.7 | 44% | 0.439 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 139.4 | 175.4 | -75.3 | 170.6 | -3.8 | 0 | 0 | 110.9 | T22 K23 D24 Y28 | T22-Q26 WeakPolarHBondContact CA-O 3.25Å; K23-Q26 PolarHBondContact N-O 3.21Å; K23-Q26 PolarHBondContact O-N 3.44Å; D24-Q26 VanDerWaalsContact C-N 3.29Å; D24-Q26 PolarHBondContact O-N 2.99Å; Q26-Y28 HydrophobicContact CB-CE2 3.84Å; Q26-Y28 WeakPolarHBondContact O-CD2 3.41Å; Q26-Y28 WeakPolarHBondContact O-CE2 3.5Å; Q26-Y28 PolarHBondContact OE1-OH 3.14Å; Q26-Y28 VanDerWaalsContact OE1-OH 3.06Å |
| 27 | R | 78.5 | Confident | 69 | Low | 123 Ų | 123 | 92 Ų | 92 | 46% | 0.464 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 129.8 | 179.5 | -58 | -168.4 | -55.8 | -126.6 | 1.1 | 109.9 | L20 | L20-R27 HydrophobicContact CD2-CB 4.33Å; L20-R27 HydrophobicContact CD2-CG 4.32Å |
| 28 | Y | 75.6 | Confident | 69.1 | Low | 82 Ų | 82 | 93.2 Ų | 93.2 | 32% | 0.322 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 136.5 | 177.8 | -57.9 | -87.8 | 0 | 0 | 0 | 109.8 | L20 L21 K23 Q26 V41 | L20-Y28 WeakPolarHBondContact CA-O 3.33Å; L21-Y28 PolarHBondContact N-O 3.41Å; L21-Y28 PolarHBondContact O-N 3.42Å; K23-Y28 HydrophobicContact CB-CE2 4.25Å; Q26-Y28 HydrophobicContact CB-CE2 3.84Å; Q26-Y28 WeakPolarHBondContact O-CD2 3.41Å; Q26-Y28 WeakPolarHBondContact O-CE2 3.5Å; Q26-Y28 PolarHBondContact OE1-OH 3.14Å; Q26-Y28 VanDerWaalsContact OE1-OH 3.06Å; Y28-V41 HydrophobicContact CD1-CG2 4.37Å; Y28-V41 HydrophobicContact CE1-CG2 4Å |
| 29 | F | 76.5 | Confident | 68.4 | Low | 77 Ų | 77 | 100.8 Ų | 100.8 | 34% | 0.338 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.6 | 124.8 | 173.6 | -70 | -84 | 0 | 0 | 0 | 109 | T18 L20 | T18-F29 HydrophobicContact CG2-CB 3.66Å; T18-F29 HydrophobicContact CG2-CD1 3.67Å; T18-F29 HydrophobicContact CG2-CG 4.14Å; L20-F29 HydrophobicContact CD1-CD1 4.36Å; L20-F29 HydrophobicContact CD1-CE1 3.66Å; L20-F29 HydrophobicContact CD1-CZ 3.8Å; L20-F29 HydrophobicContact CG-CE1 4.42Å |
| 30 | V | 69.4 | Low | 67.7 | Low | 33 Ų | 33 | 99.3 Ų | 99.3 | 20% | 0.2 | 54% | 0.544 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 116.4 | 179.1 | -171.7 | 0 | 0 | 0 | 0 | 109 | L19 V36 | L19-V30 PolarHBondContact N-O 3.47Å; L19-V30 PolarHBondContact O-N 3.23Å; V30-V36 HydrophobicContact CG1-CG1 4.38Å; V30-V36 HydrophobicContact CG2-CG1 4.06Å |
| 31 | S | 76.1 | Confident | 66.5 | Low | 44 Ų | 44 | 98.3 Ų | 98.3 | 31% | 0.308 | 54% | 0.541 | S | S | . | . | trans | -73.6 | 152.7 | 171.5 | -61.7 | 0 | 0 | 0 | 0 | 110.4 | S33 G34 | S31-S33 PolarHBondContact O-N 3.43Å; S31-G34 PolarHBondContact O-N 3.33Å | ||
| 32 | K | 65.9 | Low | 65.6 | Low | 191 Ų | 191 | 98 Ų | 98 | 83% | 0.83 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -14.6 | -176.8 | -158.7 | 176.8 | -179.2 | -172.7 | 0 | 114.2 | G34 | K32-G34 PolarHBondContact O-N 3.01Š|
| 33 | S | 65.2 | Low | 64.1 | Low | 100 Ų | 100 | 98.4 Ų | 98.4 | 70% | 0.699 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -0.5 | 171.9 | 38.9 | 0 | 0 | 0 | 0 | 114.5 | S31 A35 | S31-S33 PolarHBondContact O-N 3.43Å; S33-A35 PolarHBondContact O-N 3.32Å |
| 34 | G | 57.4 | Low | 62.8 | Low | 59 Ų | 59 | 97.1 Ų | 97.1 | 61% | 0.608 | 55% | 0.551 | S | S | * | * | trans | 72.2 | 5.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | S31 K32 | S31-G34 PolarHBondContact O-N 3.33Å; K32-G34 PolarHBondContact O-N 3.01Å | ||
| 35 | A | 58.1 | Low | 60.8 | Low | 61 Ų | 61 | 98.1 Ų | 98.1 | 50% | 0.504 | 55% | 0.551 | S | S | . | * | trans | -81.7 | 118.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | S33 | S33-A35 PolarHBondContact O-N 3.32Š| ||
| 36 | V | 58.2 | Low | 59 | Low | 106 Ų | 106 | 102.9 Ų | 102.9 | 64% | 0.642 | 55% | 0.554 | S | S | * | * | trans | -91 | 94.5 | 169 | -69.3 | 0 | 0 | 0 | 0 | 108.3 | V30 S38 | V30-V36 HydrophobicContact CG1-CG1 4.38Å; V30-V36 HydrophobicContact CG2-CG1 4.06Å; V36-S38 PolarHBondContact O-N 3.09Å | ||
| 37 | D | 56.4 | Low | 57.4 | Low | 93 Ų | 93 | 103.3 Ų | 103.3 | 50% | 0.497 | 57% | 0.568 | S | S | . | * | trans | -74.4 | 121.2 | 175.4 | -159 | -94.9 | 0 | 0 | 0 | 109.2 | R39 N40 | D37-R39 PolarHBondContact O-N 3.38Å; D37-R39 WeakPolarHBondContact OD1-CB 3.27Å; D37-R39 WeakPolarHBondContact OD1-CD 3.4Å; D37-R39 VanDerWaalsContact OD1-CG 3.28Å; D37-R39 WeakPolarHBondContact OD1-CG 3.47Å; D37-R39 PolarHBondContact OD1-N 2.89Å; D37-N40 PolarHBondContact O-N 3.48Å | ||
| 38 | S | 58.4 | Low | 55.4 | Low | 114 Ų | 114 | 106.6 Ų | 106.6 | 80% | 0.797 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -3.6 | -175.7 | -59.9 | 0 | 0 | 0 | 0 | 113.1 | V36 | V36-S38 PolarHBondContact O-N 3.09Š|
| 39 | R | 58.2 | Low | 53.6 | Low | 223 Ų | 223 | 110.1 Ų | 110.1 | 84% | 0.842 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -7.8 | 179.2 | -62.9 | 172.9 | 159 | 163.9 | -6.1 | 113.9 | D37 | D37-R39 PolarHBondContact O-N 3.38Å; D37-R39 WeakPolarHBondContact OD1-CB 3.27Å; D37-R39 WeakPolarHBondContact OD1-CD 3.4Å; D37-R39 VanDerWaalsContact OD1-CG 3.28Å; D37-R39 WeakPolarHBondContact OD1-CG 3.47Å; D37-R39 PolarHBondContact OD1-N 2.89Å |
| 40 | N | 57.2 | Low | 51.8 | Low | 77 Ų | 77 | 113.5 Ų | 113.5 | 41% | 0.412 | 63% | 0.634 | S | S | . | * | trans | -96.4 | 16.5 | -170.3 | -64.6 | 57.3 | 0 | 0 | 0 | 114.6 | D37 T42 | D37-N40 PolarHBondContact O-N 3.48Å; N40-T42 PolarHBondContact O-N 3.28Å; N40-T42 VanDerWaalsContact O-N 3.1Å | ||
| 41 | V | 50 | Low | 50 | Low | 61 Ų | 61 | 118.6 Ų | 118.6 | 37% | 0.37 | 67% | 0.665 | S | S | . | * | trans | -76.6 | 96.1 | 174.5 | 180 | 0 | 0 | 0 | 0 | 109 | Y28 T43 | Y28-V41 HydrophobicContact CD1-CG2 4.37Å; Y28-V41 HydrophobicContact CE1-CG2 4Å; V41-T43 HydrophobicContact CG1-CG2 4.49Å; V41-T43 PolarHBondContact O-N 3.47Å | ||
| 42 | T | 52.8 | Low | 48.4 | Very low | 90 Ų | 90 | 121.6 Ų | 121.6 | 55% | 0.552 | 69% | 0.686 | S | S | * | * | trans | -87.7 | 99.8 | 171.1 | -36.2 | 0 | 0 | 0 | 0 | 109.1 | N40 | N40-T42 PolarHBondContact O-N 3.28Å; N40-T42 VanDerWaalsContact O-N 3.1Å | ||
| 43 | T | 44.7 | Very low | 47 | Very low | 94 Ų | 94 | 117.7 Ų | 117.7 | 58% | 0.577 | 68% | 0.683 | S | S | * | * | trans | -70.5 | 134.9 | 162.4 | 47.6 | 0 | 0 | 0 | 0 | 108.9 | V41 H45 | V41-T43 HydrophobicContact CG1-CG2 4.49Å; V41-T43 PolarHBondContact O-N 3.47Å; T43-H45 PolarHBondContact O-N 2.9Å; T43-H45 VanDerWaalsContact O-N 3.09Å | ||
| 44 | P | 40.4 | Very low | 45.6 | Very low | 105 Ų | 105 | 122 Ų | 122 | 68% | 0.682 | 69% | 0.689 | S | S | * | * | trans | -61.3 | 115 | 169.1 | -15.3 | 28.8 | 0 | 0 | 0 | 109 | E46 | P44-E46 PolarHBondContact O-N 3Š| ||
| 45 | H | 35.7 | Very low | 44.8 | Very low | 162 Ų | 162 | 124.6 Ų | 124.6 | 75% | 0.75 | 70% | 0.698 | S | S | * | * | trans | -83.1 | 96.8 | 170.2 | -180 | -73.9 | 0 | 0 | 0 | 107.1 | T43 S47 | T43-H45 PolarHBondContact O-N 2.9Å; T43-H45 VanDerWaalsContact O-N 3.09Å; H45-S47 PolarHBondContact O-N 3.37Å | ||
| 46 | E | 34.9 | Very low | 44.7 | Very low | 171 Ų | 171 | 128.2 Ų | 128.2 | 80% | 0.799 | 71% | 0.714 | S | S | * | * | trans | -67.6 | 127 | 174.2 | -55.4 | -139.5 | 115.2 | 0 | 0 | 108.5 | P44 E48 | P44-E46 PolarHBondContact O-N 3Å; E46-E48 PolarHBondContact O-N 2.96Å | ||
| 47 | S | 36.3 | Very low | 43.8 | Very low | 104 Ų | 104 | 130 Ų | 130 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | trans | -88.4 | 105.4 | -172.9 | -52.1 | 0 | 0 | 0 | 0 | 108.1 | H45 N49 | H45-S47 PolarHBondContact O-N 3.37Å; S47-N49 PolarHBondContact O-N 3.33Å | ||
| 48 | E | 35.3 | Very low | 43.3 | Very low | 192 Ų | 192 | 132 Ų | 132 | 90% | 0.897 | 73% | 0.73 | S | S | * | * | trans | -77.2 | 99.8 | 174 | 49.3 | -169.8 | 98.2 | 0 | 0 | 110.1 | E46 | E46-E48 PolarHBondContact O-N 2.96Š| ||
| 49 | N | 39 | Very low | 43 | Very low | 155 Ų | 155 | 131.1 Ų | 131.1 | 83% | 0.829 | 72% | 0.721 | S | S | * | * | trans | -139.8 | 121.7 | 167.2 | -137.9 | -12 | 0 | 0 | 0 | 108.3 | S47 | S47-N49 PolarHBondContact O-N 3.33Š| ||
| 50 | N | 37.5 | Very low | 41.9 | Very low | 148 Ų | 148 | 127 Ų | 127 | 79% | 0.791 | 72% | 0.716 | S | S | * | * | trans | 78.7 | 93.5 | 166.4 | -156.8 | -12.4 | 0 | 0 | 0 | 118.7 | ||||
| 51 | V | 32.7 | Very low | 41.4 | Very low | 141 Ų | 141 | 129.2 Ų | 129.2 | 86% | 0.855 | 72% | 0.724 | S | S | * | * | -145.3 | 108.5 | 129.7 | 63.5 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 52 | S | 41.2 | Very low | 41.1 | Very low | 107 Ų | 107 | 133.1 Ų | 133.1 | 75% | 0.748 | 74% | 0.738 | S | S | * | * | trans | -83.9 | 157.9 | 166.6 | -169.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 53 | S | 37.2 | Very low | 40.6 | Very low | 108 Ų | 108 | 135 Ų | 135 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | trans | 105.8 | 85.4 | 160 | -165.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 54 | F | 37 | Very low | 40.8 | Very low | 192 Ų | 192 | 136.6 Ų | 136.6 | 84% | 0.842 | 76% | 0.76 | S | S | * | * | -163.9 | 133.6 | 98.8 | 62.5 | -88.3 | 0 | 0 | 0 | 110.6 | |||||
| 55 | S | 40.1 | Very low | 41.6 | Very low | 113 Ų | 113 | 138.4 Ų | 138.4 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | trans | -106.3 | 139.8 | -175.6 | -152.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 56 | V | 55.8 | Low | 42.2 | Very low | 137 Ų | 137 | 137.9 Ų | 137.9 | 83% | 0.83 | 77% | 0.771 | S | S | * | * | trans | -140.5 | 113.5 | 158.3 | -118.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 57 | D | 38.6 | Very low | 42.6 | Very low | 144 Ų | 144 | 137.3 Ų | 137.3 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | trans | -59.5 | 132.7 | 171.6 | -129.6 | -135.4 | 0 | 0 | 0 | 110.5 | ||||
| 58 | D | 46.6 | Very low | 43.1 | Very low | 135 Ų | 135 | 136.5 Ų | 136.5 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | 92.7 | 166 | 80.1 | -153 | -116.5 | 0 | 0 | 0 | 111.8 | |||||
| 59 | P | 52.6 | Low | 43.6 | Very low | 94 Ų | 94 | 132.5 Ų | 132.5 | 61% | 0.61 | 77% | 0.766 | S | S | * | * | -131.1 | -175.6 | -56.3 | 42.1 | -30.7 | 0 | 0 | 0 | 114.8 | |||||
| 60 | D | 34.7 | Very low | 43.9 | Very low | 136 Ų | 136 | 132 Ų | 132 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | 86.5 | 150.5 | 134.3 | -162.9 | -153.5 | 0 | 0 | 0 | 122.3 | ||||
| 61 | E | 45.9 | Very low | 45 | Very low | 124 Ų | 124 | 129.8 Ų | 129.8 | 58% | 0.579 | 76% | 0.757 | S | S | * | * | trans | 96.2 | 104.6 | 159.1 | -75.9 | -65.3 | 47 | 0 | 0 | 121.3 | ||||
| 62 | E | 44 | Very low | 45.8 | Very low | 144 Ų | 144 | 135 Ų | 135 | 67% | 0.673 | 76% | 0.762 | S | S | * | * | 58.9 | 115.7 | 125.7 | 79.2 | -154.2 | 134.3 | 0 | 0 | 122.9 | |||||
| 63 | S | 43 | Very low | 46 | Very low | 129 Ų | 129 | 139.6 Ų | 139.6 | 90% | 0.902 | 77% | 0.771 | S | S | * | * | trans | -158 | 86 | 137.4 | -85.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 64 | D | 47.7 | Very low | 46.3 | Very low | 127 Ų | 127 | 138.1 Ų | 138.1 | 68% | 0.679 | 77% | 0.773 | S | S | * | * | trans | -84.4 | 121.7 | 159.8 | 178.1 | 36.9 | 0 | 0 | 0 | 108.7 | ||||
| 65 | V | 56.8 | Low | 46 | Very low | 144 Ų | 144 | 134.1 Ų | 134.1 | 87% | 0.873 | 78% | 0.775 | S | S | * | * | trans | -145.7 | 95.7 | 154.2 | -76.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 66 | L | 49.2 | Very low | 46.3 | Very low | 151 Ų | 151 | 133.3 Ų | 133.3 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | -61.8 | 127.4 | 157.9 | -57.7 | 167.1 | 0 | 0 | 0 | 109.1 | ||||
| 67 | D | 43.4 | Very low | 46 | Very low | 158 Ų | 158 | 132.2 Ų | 132.2 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | trans | -128.3 | 98 | 152.2 | -168.5 | 47 | 0 | 0 | 0 | 108.6 | ||||
| 68 | A | 47.7 | Very low | 46.6 | Very low | 87 Ų | 87 | 130.6 Ų | 130.6 | 72% | 0.719 | 77% | 0.771 | S | S | * | * | trans | -118 | 114.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 69 | S | 45.7 | Very low | 46.5 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | trans | 167.4 | 137.4 | 151.7 | -70.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 70 | D | 44.4 | Very low | 46.1 | Very low | 144 Ų | 144 | 136.2 Ų | 136.2 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | cis | -164 | 158.2 | 27.3 | -166.5 | -104.4 | 0 | 0 | 0 | 111.7 | ||||
| 71 | P | 60.7 | Low | 46.5 | Very low | 102 Ų | 102 | 136.8 Ų | 136.8 | 66% | 0.662 | 79% | 0.787 | S | S | * | * | trans | -92.5 | 152 | -176.9 | 18.4 | 0.5 | 0 | 0 | 0 | 114 | ||||
| 72 | R | 49.8 | Very low | 46 | Very low | 251 Ų | 251 | 137.1 Ų | 137.1 | 95% | 0.947 | 79% | 0.793 | S | S | * | * | trans | -132.8 | 132.1 | 163.9 | -87.2 | -173.8 | 139.4 | -145.5 | -5.4 | 113.3 | ||||
| 73 | E | 44.1 | Very low | 45.8 | Very low | 202 Ų | 202 | 137.2 Ų | 137.2 | 94% | 0.944 | 79% | 0.794 | S | S | * | * | trans | -79.6 | 164.9 | -170.5 | -62.1 | 166.8 | 99.2 | 0 | 0 | 115.6 | ||||
| 74 | G | 43.5 | Very low | 46 | Very low | 78 Ų | 78 | 139.9 Ų | 139.9 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | 117.3 | 129.3 | 147.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 75 | A | 32.2 | Very low | 45.6 | Very low | 107 Ų | 107 | 142.5 Ų | 142.5 | 88% | 0.884 | 80% | 0.8 | S | S | * | * | cis | -166.6 | 166.8 | 3.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 76 | A | 45.8 | Very low | 45 | Very low | 96 Ų | 96 | 140.1 Ų | 140.1 | 79% | 0.793 | 79% | 0.786 | S | S | * | * | trans | -49.8 | 143.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 77 | S | 49.3 | Very low | 44.7 | Very low | 114 Ų | 114 | 137.8 Ų | 137.8 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | 64 | 160.8 | 131.7 | -137.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 78 | P | 51.4 | Low | 44.9 | Very low | 110 Ų | 110 | 138.9 Ų | 138.9 | 71% | 0.714 | 78% | 0.782 | S | S | * | * | cis | -133.4 | 165.3 | -1.8 | 30 | -6.8 | 0 | 0 | 0 | 116.6 | ||||
| 79 | E | 45.3 | Very low | 44.7 | Very low | 152 Ų | 152 | 136.8 Ų | 136.8 | 71% | 0.71 | 77% | 0.769 | S | S | * | * | trans | 23.8 | 116.5 | 140.1 | -138.4 | 168.3 | 120.3 | 0 | 0 | 120 | L81 | E79-L81 HydrophobicContact CG-CG 4.34Š| ||
| 80 | E | 43.8 | Very low | 45 | Very low | 196 Ų | 196 | 137.1 Ų | 137.1 | 92% | 0.916 | 76% | 0.762 | S | S | * | * | trans | -131.8 | 107.4 | 139.6 | -77.5 | -78 | 89.9 | 0 | 0 | 106.8 | N82 | E80-N82 PolarHBondContact O-N 3.46Š| ||
| 81 | L | 42.1 | Very low | 45.4 | Very low | 147 Ų | 147 | 136.1 Ų | 136.1 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | trans | -50.3 | 123.8 | 166.8 | -68.2 | 153.2 | 0 | 0 | 0 | 109.7 | E79 | E79-L81 HydrophobicContact CG-CG 4.34Š| ||
| 82 | N | 36.5 | Very low | 45.5 | Very low | 131 Ų | 131 | 134.2 Ų | 134.2 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | trans | -123.5 | 93.7 | 153.7 | -156.5 | 61 | 0 | 0 | 0 | 109 | E80 | E80-N82 PolarHBondContact O-N 3.46Š| ||
| 83 | E | 39.8 | Very low | 46.5 | Very low | 146 Ų | 146 | 125.4 Ų | 125.4 | 68% | 0.682 | 73% | 0.725 | S | S | * | * | trans | 35.7 | 105 | 146.3 | 70.1 | -157.5 | 155.8 | 0 | 0 | 117.7 | E85 | E83-E85 PolarHBondContact O-N 2.91Š| ||
| 84 | E | 46.5 | Very low | 48.1 | Very low | 186 Ų | 186 | 118.8 Ų | 118.8 | 87% | 0.869 | 69% | 0.693 | S | S | * | * | 11.3 | 87.8 | 121.9 | -162.6 | 168.9 | 99.3 | 0 | 0 | 115.7 | |||||
| 85 | E | 38.8 | Very low | 50.1 | Low | 182 Ų | 182 | 121.8 Ų | 121.8 | 85% | 0.85 | 69% | 0.687 | S | S | * | * | trans | -129.1 | 99.2 | 143.6 | -103.5 | -92.3 | 104.9 | 0 | 0 | 106.3 | E83 S87 | E83-E85 PolarHBondContact O-N 2.91Å; E85-S87 PolarHBondContact O-N 3.32Å | ||
| 86 | T | 44.6 | Very low | 52.9 | Low | 94 Ų | 94 | 116.9 Ų | 116.9 | 58% | 0.577 | 65% | 0.646 | S | S | * | * | trans | -47.7 | 79.5 | 167.7 | -47.4 | 0 | 0 | 0 | 0 | 110.8 | E88 | T86-E88 HydrophobicContact CG2-CB 4.14Å; T86-E88 HydrophobicContact CG2-CG 3.66Å; T86-E88 WeakPolarHBondContact CG2-OE2 3.39Å; T86-E88 PolarHBondContact O-N 3.49Å; T86-E88 VanDerWaalsContact O-N 3.07Å | ||
| 87 | S | 42.5 | Very low | 54.9 | Low | 101 Ų | 101 | 116.5 Ų | 116.5 | 71% | 0.706 | 63% | 0.634 | S | S | * | * | trans | -85 | 57.9 | 164.7 | -153.6 | 0 | 0 | 0 | 0 | 109.5 | E85 G89 | E85-S87 PolarHBondContact O-N 3.32Å; S87-G89 PolarHBondContact O-N 3.04Å | ||
| 88 | E | 47.5 | Very low | 56.8 | Low | 181 Ų | 181 | 116 Ų | 116 | 85% | 0.846 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | 78.5 | 157.2 | -76.7 | -176.1 | 107.3 | 0 | 0 | 107.9 | T86 | T86-E88 HydrophobicContact CG2-CB 4.14Å; T86-E88 HydrophobicContact CG2-CG 3.66Å; T86-E88 WeakPolarHBondContact CG2-OE2 3.39Å; T86-E88 PolarHBondContact O-N 3.49Å; T86-E88 VanDerWaalsContact O-N 3.07Å |
| 89 | G | 44.8 | Very low | 58.4 | Low | 43 Ų | 43 | 119.3 Ų | 119.3 | 44% | 0.443 | 62% | 0.621 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -180 | -15.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | S87 N91 A92 | S87-G89 PolarHBondContact O-N 3.04Å; G89-N91 PolarHBondContact O-N 3.09Å; G89-A92 VanDerWaalsContact O-CB 3.24Å; G89-A92 WeakPolarHBondContact O-CB 3.25Å; G89-A92 PolarHBondContact O-N 3.36Å |
| 90 | D | 52.3 | Low | 60.3 | Low | 116 Ų | 116 | 116.2 Ų | 116.2 | 62% | 0.62 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | 9.3 | -173.9 | -152.4 | -110.7 | 0 | 0 | 0 | 114.6 | ||
| 91 | N | 51.7 | Low | 62.4 | Low | 123 Ų | 123 | 107.7 Ų | 107.7 | 66% | 0.658 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | 18.6 | 162.7 | -71.3 | -78.5 | 0 | 0 | 0 | 111.9 | G89 | G89-N91 PolarHBondContact O-N 3.09Š|
| 92 | A | 62.9 | Low | 64.5 | Low | 63 Ų | 63 | 107 Ų | 107 | 52% | 0.521 | 59% | 0.593 | S | S | . | * | trans | -62.3 | 128.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | G89 K94 | G89-A92 VanDerWaalsContact O-CB 3.24Å; G89-A92 WeakPolarHBondContact O-CB 3.25Å; G89-A92 PolarHBondContact O-N 3.36Å; A92-K94 PolarHBondContact O-N 3.36Å; A92-K94 VanDerWaalsContact O-N 3.08Å | ||
| 93 | P | 70.9 | Confident | 67 | Low | 65 Ų | 65 | 104.2 Ų | 104.2 | 42% | 0.422 | 58% | 0.576 | S | S | . | * | trans | -64.2 | 118.3 | -178 | 30.4 | -36.8 | 0 | 0 | 0 | 108.5 | Q95 T105 | P93-Q95 PolarHBondContact O-N 3.34Å; P93-Q95 VanDerWaalsContact O-N 3.08Å; P93-T105 CarbonylContact C-O 3.56Å; P93-T105 WeakPolarHBondContact CA-O 3.4Å | ||
| 94 | K | 77.9 | Confident | 69.2 | Low | 63 Ų | 63 | 101 Ų | 101 | 27% | 0.274 | 57% | 0.566 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -65.9 | 112.5 | -178.4 | -67.2 | -169.5 | 179.4 | -171 | 0 | 109.1 | A92 T104 T105 A109 W115 | A92-K94 PolarHBondContact O-N 3.36Å; A92-K94 VanDerWaalsContact O-N 3.08Å; K94-T104 CarbonylContact O-C 3.46Å; K94-T104 VanDerWaalsContact O-CA 3.23Å; K94-T104 WeakPolarHBondContact O-CA 3.44Å; K94-T105 HydrophobicContact CB-CG2 3.9Å; K94-T105 PolarHBondContact N-O 3.31Å; K94-T105 PolarHBondContact O-N 2.85Å; K94-A109 HydrophobicContact CD-CB 4.02Å; K94-A109 PolarHBondContact NZ-O 3.34Å; K94-W115 HydrophobicContact CB-CB 4.18Å; K94-W115 HydrophobicContact CD-CB 4.46Å; K94-W115 VanDerWaalsContact O-CE3 3.29Å |
| 95 | Q | 85.3 | Confident | 71 | Confident | 142 Ų | 142 | 93.4 Ų | 93.4 | 66% | 0.664 | 53% | 0.533 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 145.8 | 173.8 | 61.5 | -175.5 | -50.7 | 0 | 0 | 111.6 | P93 T97 E103 T104 | P93-Q95 PolarHBondContact O-N 3.34Å; P93-Q95 VanDerWaalsContact O-N 3.08Å; Q95-T97 PolarHBondContact O-N 3.2Å; Q95-E103 WeakPolarHBondContact CA-O 3.31Å; Q95-T104 HydrophobicContact CB-CG2 3.95Å |
| 96 | C | 90.1 | Very high | 72.6 | Confident | 4 Ų | 4 | 89.1 Ų | 89.1 | 3% | 0.027 | 52% | 0.519 | C | S | . | . | trans | -59.4 | 126.8 | 173.5 | 178.7 | 0 | 0 | 0 | 0 | 109.5 | Y98 C101 E103 W115 C117 H120 | C96-Y98 PolarHBondContact O-N 2.99Å; C96-C101 HydrophobicContact CB-CB 3.82Å; C96-C101 VanDerWaalsContact CB-SG 3.5Å; C96-E103 HydrophobicContact CB-CB 4.43Å; C96-E103 PolarHBondContact N-O 3.03Å; C96-W115 WeakPolarHBondContact CA-O 3.46Å; C96-W115 HydrophobicContact CB-CE3 4.13Å; C96-W115 HydrophobicContact CB-CZ3 3.81Å; C96-C117 HydrophobicContact CB-CB 4.03Å; C96-C117 PolarHBondContact SG-N 3.46Å; C96-C117 VanDerWaalsContact SG-N 3.38Å; C96-H120 PolarHBondContact SG-ND1 3.16Å | ||
| 97 | T | 88.4 | Confident | 73.8 | Confident | 88 Ų | 88 | 92.4 Ų | 92.4 | 54% | 0.54 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -66.3 | 4 | -179.4 | -41.6 | 0 | 0 | 0 | 0 | 114.5 | Q95 P114 W115 | Q95-T97 PolarHBondContact O-N 3.2Å; T97-P114 HydrophobicContact CG2-CB 4.08Å; T97-P114 VanDerWaalsContact OG1-CB 3.23Å; T97-P114 WeakPolarHBondContact OG1-CB 3.29Å; T97-W115 PolarHBondContact N-O 2.97Å; T97-W115 PolarHBondContact OG1-O 2.96Å |
| 98 | Y | 90.1 | Very high | 74.7 | Confident | 102 Ų | 102 | 94.1 Ų | 94.1 | 40% | 0.4 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -90.1 | 130 | -179.8 | -173.8 | -87.2 | 0 | 0 | 0 | 110.1 | C96 G100 C101 H120 K123 | C96-Y98 PolarHBondContact O-N 2.99Å; Y98-G100 PolarHBondContact O-N 2.93Å; Y98-C101 HydrophobicContact CD1-CB 4.4Å; Y98-C101 VanDerWaalsContact O-CB 3.25Å; Y98-C101 WeakPolarHBondContact O-CB 3.2Å; Y98-C101 PolarHBondContact O-N 3.05Å; Y98-H120 WeakPolarHBondContact CB-ND1 3.35Å; Y98-H120 AromaticContact CD1-CD2 3.54Å; Y98-H120 AromaticContact CD1-CE1 3.33Å; Y98-H120 WeakPolarHBondContact CD1-CE1 3.42Å; Y98-H120 AromaticContact CD1-CG 3.92Å; Y98-H120 AromaticContact CD1-ND1 3.79Å; Y98-H120 AromaticContact CD1-NE2 3.2Å; Y98-H120 WeakPolarHBondContact CD1-NE2 3.42Å; Y98-H120 HydrophobicContact CD2-CB 4.44Å; Y98-H120 AromaticContact CD2-CD2 3.76Å; Y98-H120 AromaticContact CD2-CG 3.98Å; Y98-H120 AromaticContact CE1-CD2 3.9Å; Y98-H120 AromaticContact CE1-NE2 3.51Å; Y98-H120 HydrophobicContact CG-CB 4.3Å; Y98-H120 AromaticContact CG-CD2 3.47Å; Y98-H120 VanDerWaalsContact CG-CD2 3.47Å; Y98-H120 AromaticContact CG-CE1 3.7Å; Y98-H120 AromaticContact CG-CG 3.52Å; Y98-H120 AromaticContact CG-ND1 3.66Å; Y98-H120 AromaticContact CG-NE2 3.65Å; Y98-K123 PolarHBondContact OH-NZ 3.22Å |
| 99 | E | 83.8 | Confident | 75.3 | Confident | 181 Ų | 181 | 87.3 Ų | 87.3 | 85% | 0.846 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 128.4 | -178.7 | -66.4 | -166.6 | 170.8 | 0 | 0 | 112.2 | C101 | E99-C101 VanDerWaalsContact C-N 3.35Š|
| 100 | G | 86.1 | Confident | 76.1 | Confident | 87 Ų | 87 | 94.7 Ų | 94.7 | 90% | 0.897 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.8 | 9 | -177 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y98 | Y98-G100 PolarHBondContact O-N 2.93Š|
| 101 | C | 88.1 | Confident | 76.7 | Confident | 16 Ų | 16 | 96.8 Ų | 96.8 | 11% | 0.108 | 54% | 0.535 | C | S | . | . | trans | -94.5 | 118.9 | 172.1 | -166.6 | 0 | 0 | 0 | 0 | 111.7 | C96 Y98 E99 E103 H120 | C96-C101 HydrophobicContact CB-CB 3.82Å; C96-C101 VanDerWaalsContact CB-SG 3.5Å; Y98-C101 HydrophobicContact CD1-CB 4.4Å; Y98-C101 VanDerWaalsContact O-CB 3.25Å; Y98-C101 WeakPolarHBondContact O-CB 3.2Å; Y98-C101 PolarHBondContact O-N 3.05Å; E99-C101 VanDerWaalsContact C-N 3.35Å; C101-E103 VanDerWaalsContact C-N 3.33Å; C101-H120 WeakPolarHBondContact CB-CE1 3.33Å; C101-H120 PolarHBondContact SG-CE1 3.36Å; C101-H120 PolarHBondContact SG-ND1 3.35Å | ||
| 102 | T | 85.5 | Confident | 77.5 | Confident | 132 Ų | 132 | 102.3 Ų | 102.3 | 81% | 0.81 | 55% | 0.546 | S | S | * | . | trans | -91.7 | 7.6 | 176.4 | 55.4 | 0 | 0 | 0 | 0 | 113.4 | T104 | T102-T104 PolarHBondContact O-N 3.41Š| ||
| 103 | E | 89.2 | Confident | 78.2 | Confident | 74 Ų | 74 | 107.5 Ų | 107.5 | 35% | 0.346 | 56% | 0.557 | S | S | . | * | trans | -70.8 | 129.3 | 177.7 | -64.6 | 177.8 | -142.3 | 0 | 0 | 109.2 | Q95 C96 C101 W115 C117 | Q95-E103 WeakPolarHBondContact CA-O 3.31Å; C96-E103 HydrophobicContact CB-CB 4.43Å; C96-E103 PolarHBondContact N-O 3.03Å; C101-E103 VanDerWaalsContact C-N 3.33Å; E103-W115 HydrophobicContact CB-CH2 4.35Å; E103-W115 HydrophobicContact CB-CZ3 4.44Å; E103-W115 WeakPolarHBondContact O-CZ3 3.31Å; E103-C117 HydrophobicContact CB-CB 3.92Å; E103-C117 VanDerWaalsContact CD-SG 3.51Å; E103-C117 HydrophobicContact CG-CB 4.43Å; E103-C117 WeakPolarHBondContact OE2-CB 3.44Å; E103-C117 PolarHBondContact OE2-SG 3.43Å | ||
| 104 | T | 87.1 | Confident | 78.8 | Confident | 77 Ų | 77 | 109.3 Ų | 109.3 | 47% | 0.472 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -127.4 | 149.7 | 178 | 66.1 | 0 | 0 | 0 | 0 | 110.6 | K94 Q95 T102 | K94-T104 CarbonylContact O-C 3.46Å; K94-T104 VanDerWaalsContact O-CA 3.23Å; K94-T104 WeakPolarHBondContact O-CA 3.44Å; Q95-T104 HydrophobicContact CB-CG2 3.95Å; T102-T104 PolarHBondContact O-N 3.41Å |
| 105 | T | 82.6 | Confident | 79.1 | Confident | 28 Ų | 28 | 109.6 Ų | 109.6 | 17% | 0.172 | 57% | 0.569 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -127.1 | 128.1 | 176.5 | -175.4 | 0 | 0 | 0 | 0 | 111.5 | P93 K94 W115 | P93-T105 CarbonylContact C-O 3.56Å; P93-T105 WeakPolarHBondContact CA-O 3.4Å; K94-T105 HydrophobicContact CB-CG2 3.9Å; K94-T105 PolarHBondContact N-O 3.31Å; K94-T105 PolarHBondContact O-N 2.85Å; T105-W115 HydrophobicContact CG2-CB 4.44Å; T105-W115 HydrophobicContact CG2-CD2 3.32Å; T105-W115 HydrophobicContact CG2-CE3 3.78Å; T105-W115 HydrophobicContact CG2-CG 3.62Å; T105-W115 HydrophobicContact CG2-CH2 4.11Å; T105-W115 HydrophobicContact CG2-CZ2 3.71Å; T105-W115 HydrophobicContact CG2-CZ3 4.15Å |
| 106 | T | 73.9 | Confident | 79.3 | Confident | 91 Ų | 91 | 106.3 Ų | 106.3 | 56% | 0.558 | 55% | 0.554 | S | S | * | * | trans | -91.2 | -9.4 | 179.4 | -42.7 | 0 | 0 | 0 | 0 | 112.8 | V108 | T106-V108 PolarHBondContact O-N 3.4Š| ||
| 107 | Q | 69.9 | Low | 79.3 | Confident | 163 Ų | 163 | 106.1 Ų | 106.1 | 76% | 0.762 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -66.4 | 131.4 | 179.4 | -68.7 | -166.8 | 28.3 | 0 | 0 | 111.7 | A109 | Q107-A109 VanDerWaalsContact C-N 3.33Å; Q107-A109 PolarHBondContact O-N 2.88Å |
| 108 | V | 60.2 | Low | 79.5 | Confident | 138 Ų | 138 | 109.8 Ų | 109.8 | 84% | 0.836 | 56% | 0.561 | S | S | * | * | trans | -53 | 91.2 | 179.4 | -174.5 | 0 | 0 | 0 | 0 | 110.1 | T106 | T106-V108 PolarHBondContact O-N 3.4Š| ||
| 109 | A | 59.6 | Low | 79.6 | Confident | 38 Ų | 38 | 111.5 Ų | 111.5 | 31% | 0.314 | 57% | 0.571 | S | S | . | * | trans | -96.7 | 128.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | K94 Q107 Q111 | K94-A109 HydrophobicContact CD-CB 4.02Å; K94-A109 PolarHBondContact NZ-O 3.34Å; Q107-A109 VanDerWaalsContact C-N 3.33Å; Q107-A109 PolarHBondContact O-N 2.88Å; A109-Q111 PolarHBondContact O-N 3.24Å; A109-Q111 VanDerWaalsContact O-N 3.12Å | ||
| 110 | K | 62.7 | Low | 80.1 | Confident | 198 Ų | 198 | 103.7 Ų | 103.7 | 86% | 0.861 | 53% | 0.534 | S | S | * | . | trans | -35.6 | 115.3 | 173.2 | -149.7 | 163.4 | -173 | 166.7 | 0 | 111.2 | R112 | K110-R112 PolarHBondContact O-N 2.93Š| ||
| 111 | Q | 64.5 | Low | 80.5 | Confident | 159 Ų | 159 | 105.8 Ų | 105.8 | 74% | 0.743 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -12.7 | -161 | -146.4 | 177.1 | -0.5 | 0 | 0 | 116 | A109 | A109-Q111 PolarHBondContact O-N 3.24Å; A109-Q111 VanDerWaalsContact O-N 3.12Å |
| 112 | R | 68.4 | Low | 80.8 | Confident | 239 Ų | 239 | 108.8 Ų | 108.8 | 90% | 0.902 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | -2 | -167.8 | -66 | -163.5 | 168 | -158.3 | -3.3 | 116.7 | K110 | K110-R112 PolarHBondContact O-N 2.93Š|
| 113 | K | 78.6 | Confident | 81.2 | Confident | 172 Ų | 172 | 106.6 Ų | 106.6 | 75% | 0.748 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -131.3 | 129.8 | -178 | -73.7 | 151.1 | -177.9 | 176.3 | 0 | 111.3 | W115 | K113-W115 PolarHBondContact O-N 3.44Š|
| 114 | P | 82.3 | Confident | 81.4 | Confident | 103 Ų | 103 | 106 Ų | 106 | 67% | 0.669 | 51% | 0.507 | S | S | * | . | trans | -56.2 | 134 | 171.6 | -22.2 | 31.9 | 0 | 0 | 0 | 110.6 | T97 | T97-P114 HydrophobicContact CG2-CB 4.08Å; T97-P114 VanDerWaalsContact OG1-CB 3.23Å; T97-P114 WeakPolarHBondContact OG1-CB 3.29Å | ||
| 115 | W | 85.3 | Confident | 81.7 | Confident | 70 Ų | 70 | 107.9 Ų | 107.9 | 27% | 0.265 | 51% | 0.506 | S | S | . | . | trans | -81.9 | 132.5 | 179.2 | -179.5 | 83.4 | 0 | 0 | 0 | 110.2 | K94 C96 T97 E103 T105 K113 C117 | K94-W115 HydrophobicContact CB-CB 4.18Å; K94-W115 HydrophobicContact CD-CB 4.46Å; K94-W115 VanDerWaalsContact O-CE3 3.29Å; C96-W115 WeakPolarHBondContact CA-O 3.46Å; C96-W115 HydrophobicContact CB-CE3 4.13Å; C96-W115 HydrophobicContact CB-CZ3 3.81Å; T97-W115 PolarHBondContact N-O 2.97Å; T97-W115 PolarHBondContact OG1-O 2.96Å; E103-W115 HydrophobicContact CB-CH2 4.35Å; E103-W115 HydrophobicContact CB-CZ3 4.44Å; E103-W115 WeakPolarHBondContact O-CZ3 3.31Å; T105-W115 HydrophobicContact CG2-CB 4.44Å; T105-W115 HydrophobicContact CG2-CD2 3.32Å; T105-W115 HydrophobicContact CG2-CE3 3.78Å; T105-W115 HydrophobicContact CG2-CG 3.62Å; T105-W115 HydrophobicContact CG2-CH2 4.11Å; T105-W115 HydrophobicContact CG2-CZ2 3.71Å; T105-W115 HydrophobicContact CG2-CZ3 4.15Å; K113-W115 PolarHBondContact O-N 3.44Å; W115-C117 HydrophobicContact CH2-CB 3.47Å; W115-C117 VanDerWaalsContact CH2-CB 3.47Å; W115-C117 HydrophobicContact CZ2-CB 3.99Å; W115-C117 HydrophobicContact CZ3-CB 3.85Å | ||
| 116 | M | 88.7 | Confident | 82.4 | Confident | 72 Ų | 72 | 113.5 Ų | 113.5 | 36% | 0.355 | 53% | 0.528 | S | S | . | . | trans | -116 | 134.7 | 167.8 | -69.6 | -172 | -72 | 0 | 0 | 108.4 | M124 | M116-M124 HydrophobicContact CE-CE 4.34Å; M116-M124 HydrophobicContact CE-SD 4.24Å | ||
| 117 | C | 91.1 | Very high | 83.3 | Confident | 0 Ų | 0 | 112.7 Ų | 112.7 | 0% | 0 | 52% | 0.521 | C | S | . | . | trans | -63.3 | 160.5 | 176 | 75.8 | 0 | 0 | 0 | 0 | 111.9 | C96 E103 W115 K119 H120 R121 | C96-C117 HydrophobicContact CB-CB 4.03Å; C96-C117 PolarHBondContact SG-N 3.46Å; C96-C117 VanDerWaalsContact SG-N 3.38Å; E103-C117 HydrophobicContact CB-CB 3.92Å; E103-C117 VanDerWaalsContact CD-SG 3.51Å; E103-C117 HydrophobicContact CG-CB 4.43Å; E103-C117 WeakPolarHBondContact OE2-CB 3.44Å; E103-C117 PolarHBondContact OE2-SG 3.43Å; W115-C117 HydrophobicContact CH2-CB 3.47Å; W115-C117 VanDerWaalsContact CH2-CB 3.47Å; W115-C117 HydrophobicContact CZ2-CB 3.99Å; W115-C117 HydrophobicContact CZ3-CB 3.85Å; C117-K119 PolarHBondContact O-N 3.37Å; C117-H120 PolarHBondContact O-N 3.05Å; C117-H120 PolarHBondContact SG-N 3.36Å; C117-H120 VanDerWaalsContact SG-N 3.38Å; C117-H120 PolarHBondContact SG-ND1 3.02Å; C117-R121 VanDerWaalsContact O-CB 3.28Å; C117-R121 WeakPolarHBondContact O-CB 3.34Å; C117-R121 PolarHBondContact O-N 2.93Å | ||
| 118 | K | 91.8 | Very high | 84.5 | Confident | 165 Ų | 165 | 111.9 Ų | 111.9 | 72% | 0.717 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -57.6 | -37 | -178.6 | -172.1 | 171.4 | -178.7 | 176.4 | 0 | 111.8 | N122 | K118-N122 WeakPolarHBondContact O-CB 3.38Å; K118-N122 PolarHBondContact O-N 2.6Å |
| 119 | K | 93.3 | Very high | 86.1 | Confident | 138 Ų | 138 | 112.7 Ų | 112.7 | 60% | 0.6 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.8 | -51.5 | 177.7 | -176.6 | -174.2 | 174.9 | -173.7 | 0 | 111.7 | C117 N122 K123 | C117-K119 PolarHBondContact O-N 3.37Å; K119-N122 PolarHBondContact O-N 2.88Å; K119-K123 WeakPolarHBondContact O-CB 3.38Å; K119-K123 PolarHBondContact O-N 3.32Å |
| 120 | H | 94.3 | Very high | 87.8 | Confident | 17 Ų | 17 | 117.6 Ų | 117.6 | 8% | 0.079 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -72.9 | -34.3 | -179.2 | -72.6 | 124 | 0 | 0 | 0 | 113.2 | C96 Y98 C101 C117 K123 M124 | C96-H120 PolarHBondContact SG-ND1 3.16Å; Y98-H120 WeakPolarHBondContact CB-ND1 3.35Å; Y98-H120 AromaticContact CD1-CD2 3.54Å; Y98-H120 AromaticContact CD1-CE1 3.33Å; Y98-H120 WeakPolarHBondContact CD1-CE1 3.42Å; Y98-H120 AromaticContact CD1-CG 3.92Å; Y98-H120 AromaticContact CD1-ND1 3.79Å; Y98-H120 AromaticContact CD1-NE2 3.2Å; Y98-H120 WeakPolarHBondContact CD1-NE2 3.42Å; Y98-H120 HydrophobicContact CD2-CB 4.44Å; Y98-H120 AromaticContact CD2-CD2 3.76Å; Y98-H120 AromaticContact CD2-CG 3.98Å; Y98-H120 AromaticContact CE1-CD2 3.9Å; Y98-H120 AromaticContact CE1-NE2 3.51Å; Y98-H120 HydrophobicContact CG-CB 4.3Å; Y98-H120 AromaticContact CG-CD2 3.47Å; Y98-H120 VanDerWaalsContact CG-CD2 3.47Å; Y98-H120 AromaticContact CG-CE1 3.7Å; Y98-H120 AromaticContact CG-CG 3.52Å; Y98-H120 AromaticContact CG-ND1 3.66Å; Y98-H120 AromaticContact CG-NE2 3.65Å; C101-H120 WeakPolarHBondContact CB-CE1 3.33Å; C101-H120 PolarHBondContact SG-CE1 3.36Å; C101-H120 PolarHBondContact SG-ND1 3.35Å; C117-H120 PolarHBondContact O-N 3.05Å; C117-H120 PolarHBondContact SG-N 3.36Å; C117-H120 VanDerWaalsContact SG-N 3.38Å; C117-H120 PolarHBondContact SG-ND1 3.02Å; H120-K123 PolarHBondContact O-N 2.79Å; H120-M124 WeakPolarHBondContact O-CB 3.25Å; H120-M124 PolarHBondContact O-N 3.46Å |
| 121 | R | 92.9 | Very high | 89.2 | Confident | 132 Ų | 132 | 114.4 Ų | 114.4 | 50% | 0.498 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.6 | -45.7 | 171.4 | -160.6 | 177 | 177.6 | 173.2 | -0.7 | 111 | C117 M124 Y125 | C117-R121 VanDerWaalsContact O-CB 3.28Å; C117-R121 WeakPolarHBondContact O-CB 3.34Å; C117-R121 PolarHBondContact O-N 2.93Å; R121-M124 HydrophobicContact CG-CE 4.27Å; R121-Y125 HydrophobicContact CG-CD2 4.24Å; R121-Y125 HydrophobicContact CG-CE2 3.58Å; R121-Y125 PolarHBondContact NE-OH 3.36Å; R121-Y125 VanDerWaalsContact NE-OH 3.16Å; R121-Y125 PolarHBondContact NH2-OH 2.95Å; R121-Y125 WeakPolarHBondContact O-CD2 3.39Å; R121-Y125 PolarHBondContact O-N 2.9Å |
| 122 | N | 94.7 | Very high | 90.6 | Very high | 79 Ų | 79 | 114.3 Ų | 114.3 | 42% | 0.422 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.3 | -38.9 | 174.9 | -77.1 | -5.6 | 0 | 0 | 0 | 113.2 | K118 K119 Y125 K126 | K118-N122 WeakPolarHBondContact O-CB 3.38Å; K118-N122 PolarHBondContact O-N 2.6Å; K119-N122 PolarHBondContact O-N 2.88Å; N122-Y125 PolarHBondContact O-N 3.42Å; N122-K126 WeakPolarHBondContact O-CG 3.36Å; N122-K126 PolarHBondContact O-N 3.42Å |
| 123 | K | 94.3 | Very high | 91.7 | Very high | 86 Ų | 86 | 109 Ų | 109 | 37% | 0.374 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.2 | -53.1 | 175.5 | -177.9 | -175.7 | 173.8 | -167 | 0 | 110.2 | Y98 K119 H120 Y125 K126 D127 | Y98-K123 PolarHBondContact OH-NZ 3.22Å; K119-K123 WeakPolarHBondContact O-CB 3.38Å; K119-K123 PolarHBondContact O-N 3.32Å; H120-K123 PolarHBondContact O-N 2.79Å; K123-Y125 VanDerWaalsContact C-N 3.28Å; K123-Y125 PolarHBondContact O-N 2.58Å; K123-K126 PolarHBondContact O-N 2.94Å; K123-K126 VanDerWaalsContact O-N 3.1Å; K123-D127 WeakPolarHBondContact CE-OD2 3.4Å; K123-D127 WeakPolarHBondContact CG-OD2 3.31Å; K123-D127 WeakPolarHBondContact O-CB 3.26Å; K123-D127 VanDerWaalsContact O-CG 3.26Å; K123-D127 PolarHBondContact O-N 3.27Å |
| 124 | M | 93.2 | Very high | 92.1 | Very high | 61 Ų | 61 | 104 Ų | 104 | 30% | 0.3 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -55.7 | -42.5 | 175.9 | 177.2 | -152 | 51.5 | 0 | 0 | 111.6 | M116 H120 R121 D127 K128 | M116-M124 HydrophobicContact CE-CE 4.34Å; M116-M124 HydrophobicContact CE-SD 4.24Å; H120-M124 WeakPolarHBondContact O-CB 3.25Å; H120-M124 PolarHBondContact O-N 3.46Å; R121-M124 HydrophobicContact CG-CE 4.27Å; M124-D127 PolarHBondContact O-N 3.04Å; M124-K128 WeakPolarHBondContact O-CB 3.34Å; M124-K128 WeakPolarHBondContact O-CG 3.29Å; M124-K128 PolarHBondContact O-N 3.41Å |
| 125 | Y | 94.6 | Very high | 92.3 | Very high | 117 Ų | 117 | 102.4 Ų | 102.4 | 46% | 0.459 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.5 | -46.1 | 175.8 | -71.7 | -46.4 | 0 | 0 | 0 | 112.6 | R121 N122 K123 K128 Y129 | R121-Y125 HydrophobicContact CG-CD2 4.24Å; R121-Y125 HydrophobicContact CG-CE2 3.58Å; R121-Y125 PolarHBondContact NE-OH 3.36Å; R121-Y125 VanDerWaalsContact NE-OH 3.16Å; R121-Y125 PolarHBondContact NH2-OH 2.95Å; R121-Y125 WeakPolarHBondContact O-CD2 3.39Å; R121-Y125 PolarHBondContact O-N 2.9Å; N122-Y125 PolarHBondContact O-N 3.42Å; K123-Y125 VanDerWaalsContact C-N 3.28Å; K123-Y125 PolarHBondContact O-N 2.58Å; Y125-K128 PolarHBondContact O-N 2.88Å; Y125-Y129 WeakPolarHBondContact O-CB 3.46Å; Y125-Y129 PolarHBondContact O-N 3.48Å |
| 126 | K | 95.6 | Very high | 92.3 | Very high | 145 Ų | 145 | 105 Ų | 105 | 63% | 0.63 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -64.2 | -40.8 | 176.9 | -75.8 | -173.1 | 177.2 | -174.9 | 0 | 112 | N122 K123 Y129 K130 | N122-K126 WeakPolarHBondContact O-CG 3.36Å; N122-K126 PolarHBondContact O-N 3.42Å; K123-K126 PolarHBondContact O-N 2.94Å; K123-K126 VanDerWaalsContact O-N 3.1Å; K126-Y129 PolarHBondContact O-N 3.36Å; K126-K130 WeakPolarHBondContact O-CB 3.34Å; K126-K130 WeakPolarHBondContact O-CG 3.29Å; K126-K130 PolarHBondContact O-N 3.34Å |
| 127 | D | 94.7 | Very high | 91.7 | Very high | 75 Ų | 75 | 105.1 Ų | 105.1 | 40% | 0.401 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.7 | -43.2 | 179.7 | -69 | -12.6 | 0 | 0 | 0 | 110.5 | K123 M124 Y129 K130 K131 | K123-D127 WeakPolarHBondContact CE-OD2 3.4Å; K123-D127 WeakPolarHBondContact CG-OD2 3.31Å; K123-D127 WeakPolarHBondContact O-CB 3.26Å; K123-D127 VanDerWaalsContact O-CG 3.26Å; K123-D127 PolarHBondContact O-N 3.27Å; M124-D127 PolarHBondContact O-N 3.04Å; D127-Y129 VanDerWaalsContact C-N 3.32Å; D127-Y129 PolarHBondContact O-N 2.82Å; D127-K130 PolarHBondContact O-N 2.9Å; D127-K131 WeakPolarHBondContact O-CB 3.41Å; D127-K131 PolarHBondContact O-N 3.28Å |
| 128 | K | 93.4 | Very high | 90.7 | Very high | 145 Ų | 145 | 112 Ų | 112 | 63% | 0.63 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.1 | -40.6 | 171.5 | -81.2 | -166.6 | 177.1 | -172.4 | 0 | 112.3 | M124 Y125 K132 | M124-K128 WeakPolarHBondContact O-CB 3.34Å; M124-K128 WeakPolarHBondContact O-CG 3.29Å; M124-K128 PolarHBondContact O-N 3.41Å; Y125-K128 PolarHBondContact O-N 2.88Å; K128-K132 WeakPolarHBondContact O-CB 3.46Å; K128-K132 PolarHBondContact O-N 2.88Å |
| 129 | Y | 94.5 | Very high | 89.2 | Confident | 155 Ų | 155 | 107.9 Ų | 107.9 | 61% | 0.608 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.4 | -46.9 | 177 | 179.6 | -95.1 | 0 | 0 | 0 | 112 | Y125 K126 D127 K132 K133 | Y125-Y129 WeakPolarHBondContact O-CB 3.46Å; Y125-Y129 PolarHBondContact O-N 3.48Å; K126-Y129 PolarHBondContact O-N 3.36Å; D127-Y129 VanDerWaalsContact C-N 3.32Å; D127-Y129 PolarHBondContact O-N 2.82Å; Y129-K132 PolarHBondContact O-N 3.35Å; Y129-K133 HydrophobicContact CE1-CD 4.3Å; Y129-K133 WeakPolarHBondContact O-CB 3.4Å; Y129-K133 PolarHBondContact O-N 2.87Å |
| 130 | K | 94.5 | Very high | 87.6 | Confident | 141 Ų | 141 | 106 Ų | 106 | 61% | 0.613 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62 | -44.7 | 176.4 | -75.8 | -179.6 | 176.3 | -176.4 | 0 | 111.6 | K126 D127 K133 S134 | K126-K130 WeakPolarHBondContact O-CB 3.34Å; K126-K130 WeakPolarHBondContact O-CG 3.29Å; K126-K130 PolarHBondContact O-N 3.34Å; D127-K130 PolarHBondContact O-N 2.9Å; K130-K133 PolarHBondContact O-N 3.24Å; K130-S134 WeakPolarHBondContact O-CB 3.48Å; K130-S134 PolarHBondContact O-N 3.47Å |
| 131 | K | 93.1 | Very high | 85.8 | Confident | 132 Ų | 132 | 108.2 Ų | 108.2 | 57% | 0.574 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -58.4 | -51.3 | 174.2 | -177 | 79 | -172.7 | 177.5 | 0 | 110.2 | D127 K133 S134 D135 | D127-K131 WeakPolarHBondContact O-CB 3.41Å; D127-K131 PolarHBondContact O-N 3.28Å; K131-K133 VanDerWaalsContact C-N 3.32Å; K131-K133 PolarHBondContact O-N 2.81Å; K131-S134 PolarHBondContact O-N 2.88Å; K131-D135 VanDerWaalsContact CE-OD2 3.32Å; K131-D135 WeakPolarHBondContact CE-OD2 3.39Å; K131-D135 WeakPolarHBondContact CG-OD2 3.48Å; K131-D135 WeakPolarHBondContact O-CB 3.21Å; K131-D135 PolarHBondContact O-N 3.41Å |
| 132 | K | 92.7 | Very high | 83.4 | Confident | 156 Ų | 156 | 110.5 Ų | 110.5 | 68% | 0.678 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -59.9 | -39.2 | 176.6 | -176 | 171 | -178.4 | 172.7 | 0 | 112.8 | K128 Y129 Q136 | K128-K132 WeakPolarHBondContact O-CB 3.46Å; K128-K132 PolarHBondContact O-N 2.88Å; Y129-K132 PolarHBondContact O-N 3.35Å; K132-Q136 VanDerWaalsContact O-CB 3.22Å; K132-Q136 WeakPolarHBondContact O-CB 3.37Å; K132-Q136 PolarHBondContact O-N 2.96Å |
| 133 | K | 91.8 | Very high | 81.3 | Confident | 128 Ų | 128 | 114.9 Ų | 114.9 | 56% | 0.557 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -69 | -40 | 176.8 | -171.2 | 174.2 | -178.7 | 178.2 | 0 | 112.1 | Y129 K130 K131 A137 | Y129-K133 HydrophobicContact CE1-CD 4.3Å; Y129-K133 WeakPolarHBondContact O-CB 3.4Å; Y129-K133 PolarHBondContact O-N 2.87Å; K130-K133 PolarHBondContact O-N 3.24Å; K131-K133 VanDerWaalsContact C-N 3.32Å; K131-K133 PolarHBondContact O-N 2.81Å; K133-A137 PolarHBondContact O-N 3.48Å; K133-A137 VanDerWaalsContact O-N 3.17Å |
| 134 | S | 88.7 | Confident | 79.2 | Confident | 68 Ų | 68 | 117.4 Ų | 117.4 | 48% | 0.476 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66.5 | -47.9 | 174.2 | -174.1 | 0 | 0 | 0 | 0 | 111.4 | K130 K131 Q136 A137 M138 | K130-S134 WeakPolarHBondContact O-CB 3.48Å; K130-S134 PolarHBondContact O-N 3.47Å; K131-S134 PolarHBondContact O-N 2.88Å; S134-Q136 VanDerWaalsContact C-N 3.26Å; S134-Q136 PolarHBondContact O-N 3.45Å; S134-A137 WeakPolarHBondContact O-CB 3.46Å; S134-A137 PolarHBondContact O-N 3.19Å; S134-M138 WeakPolarHBondContact O-CG 3.43Å; S134-M138 PolarHBondContact O-N 3.47Å |
| 135 | D | 86.1 | Confident | 77.2 | Confident | 69 Ų | 69 | 123 Ų | 123 | 37% | 0.369 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -65.2 | -33 | 178.5 | -65.4 | -16.6 | 0 | 0 | 0 | 110.5 | K131 M138 S139 | K131-D135 VanDerWaalsContact CE-OD2 3.32Å; K131-D135 WeakPolarHBondContact CE-OD2 3.39Å; K131-D135 WeakPolarHBondContact CG-OD2 3.48Å; K131-D135 WeakPolarHBondContact O-CB 3.21Å; K131-D135 PolarHBondContact O-N 3.41Å; D135-M138 PolarHBondContact O-N 3.19Å; D135-S139 WeakPolarHBondContact O-CA 3.41Å; D135-S139 WeakPolarHBondContact O-CB 3.22Å; D135-S139 PolarHBondContact O-N 3.43Å; D135-S139 PolarHBondContact O-OG 3.21Å |
| 136 | Q | 85.6 | Confident | 74.7 | Confident | 124 Ų | 124 | 125.1 Ų | 125.1 | 58% | 0.579 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -61.2 | -44.2 | 169.8 | 178.4 | 174.3 | 72.8 | 0 | 0 | 111.4 | K132 S134 M138 S140 | K132-Q136 VanDerWaalsContact O-CB 3.22Å; K132-Q136 WeakPolarHBondContact O-CB 3.37Å; K132-Q136 PolarHBondContact O-N 2.96Å; S134-Q136 VanDerWaalsContact C-N 3.26Å; S134-Q136 PolarHBondContact O-N 3.45Å; Q136-M138 VanDerWaalsContact C-N 3.3Å; Q136-M138 PolarHBondContact O-N 2.83Å; Q136-S140 WeakPolarHBondContact O-CB 3.24Å; Q136-S140 PolarHBondContact O-N 3.4Å; Q136-S140 VanDerWaalsContact O-N 3.17Å; Q136-S140 PolarHBondContact O-OG 3.45Å |
| 137 | A | 75.3 | Confident | 72.4 | Confident | 75 Ų | 75 | 123.6 Ų | 123.6 | 62% | 0.62 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -64.5 | -33.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | K133 S134 | K133-A137 PolarHBondContact O-N 3.48Å; K133-A137 VanDerWaalsContact O-N 3.17Å; S134-A137 WeakPolarHBondContact O-CB 3.46Å; S134-A137 PolarHBondContact O-N 3.19Å |
| 138 | M | 69.2 | Low | 69.7 | Low | 144 Ų | 144 | 129.1 Ų | 129.1 | 71% | 0.709 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -90.7 | -26.1 | -178.2 | -56.8 | -56.8 | -75.2 | 0 | 0 | 114.2 | S134 D135 Q136 | S134-M138 WeakPolarHBondContact O-CG 3.43Å; S134-M138 PolarHBondContact O-N 3.47Å; D135-M138 PolarHBondContact O-N 3.19Å; Q136-M138 VanDerWaalsContact C-N 3.3Å; Q136-M138 PolarHBondContact O-N 2.83Å |
| 139 | S | 61 | Low | 67.4 | Low | 79 Ų | 79 | 131.8 Ų | 131.8 | 55% | 0.552 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -86.6 | -16.1 | 177.2 | 62.2 | 0 | 0 | 0 | 0 | 113.3 | D135 G141 | D135-S139 WeakPolarHBondContact O-CA 3.41Å; D135-S139 WeakPolarHBondContact O-CB 3.22Å; D135-S139 PolarHBondContact O-N 3.43Å; D135-S139 PolarHBondContact O-OG 3.21Å; S139-G141 PolarHBondContact O-N 2.96Å |
| 140 | S | 58.8 | Low | 64.7 | Low | 98 Ų | 98 | 134.6 Ų | 134.6 | 69% | 0.685 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -6 | 170.2 | -54.9 | 0 | 0 | 0 | 0 | 113.4 | Q136 | Q136-S140 WeakPolarHBondContact O-CB 3.24Å; Q136-S140 PolarHBondContact O-N 3.4Å; Q136-S140 VanDerWaalsContact O-N 3.17Å; Q136-S140 PolarHBondContact O-OG 3.45Å |
| 141 | G | 56.6 | Low | 62.5 | Low | 63 Ų | 63 | 134 Ų | 134 | 65% | 0.649 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.8 | -5.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116 | S139 | S139-G141 PolarHBondContact O-N 2.96Š|
| 142 | K | 43.6 | Very low | 60.1 | Low | 180 Ų | 180 | 133 Ų | 133 | 78% | 0.783 | 71% | 0.711 | S | S | * | * | trans | -143.7 | 89.9 | 174.2 | -76.9 | -160 | 170.5 | -162.9 | 0 | 109.9 | ||||
| 143 | L | 50.2 | Low | 57.8 | Low | 171 Ų | 171 | 130 Ų | 130 | 90% | 0.895 | 71% | 0.71 | S | S | * | * | trans | -63.7 | 131.9 | 145.9 | -98.6 | 170.3 | 0 | 0 | 0 | 107.3 | ||||
| 144 | D | 50.3 | Low | 55.8 | Low | 140 Ų | 140 | 130.8 Ų | 130.8 | 75% | 0.749 | 73% | 0.725 | S | S | * | * | S | Bend | trans | 83.8 | 146.2 | 155.5 | -140.1 | -118 | 0 | 0 | 0 | 119 | ||
| 145 | E | 51.2 | Low | 53.5 | Low | 177 Ų | 177 | 135.2 Ų | 135.2 | 83% | 0.827 | 74% | 0.743 | S | S | * | * | trans | 97.9 | 42 | 163.9 | -149.4 | 146 | 83.2 | 0 | 0 | 119.6 | ||||
| 146 | N | 42.6 | Very low | 51.9 | Low | 162 Ų | 162 | 140.2 Ų | 140.2 | 87% | 0.866 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -160.5 | 61.9 | 153.9 | -162.7 | 38.1 | 0 | 0 | 0 | 115.6 | ||
| 147 | S | 45.8 | Very low | 50.3 | Low | 114 Ų | 114 | 142.8 Ų | 142.8 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -146.6 | -4.5 | 163.1 | -155.4 | 0 | 0 | 0 | 0 | 118.9 | ||
| 148 | E | 39.4 | Very low | 48.9 | Very low | 191 Ų | 191 | 150.7 Ų | 150.7 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | trans | -136.8 | 87.1 | 177.3 | -69.3 | -178.8 | 94.8 | 0 | 0 | 112 | R150 | E148-R150 VanDerWaalsContact C-N 3.3Å; E148-R150 PolarHBondContact O-N 3.47Å | ||
| 149 | E | 44.6 | Very low | 48.1 | Very low | 200 Ų | 200 | 152.2 Ų | 152.2 | 94% | 0.935 | 80% | 0.798 | S | S | * | * | trans | -56.8 | 89.3 | 155.4 | -177.3 | -175.2 | 150.8 | 0 | 0 | 109.5 | ||||
| 150 | R | 38.2 | Very low | 47.4 | Very low | 215 Ų | 215 | 150.5 Ų | 150.5 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | -159 | 109.2 | 155.2 | -153.6 | 175.2 | -170.9 | 139.4 | 2.4 | 112 | E148 V152 | E148-R150 VanDerWaalsContact C-N 3.3Å; E148-R150 PolarHBondContact O-N 3.47Å; R150-V152 HydrophobicContact CG-CG2 4.31Å; R150-V152 PolarHBondContact O-N 3.37Å | ||
| 151 | P | 48.9 | Very low | 46.8 | Very low | 128 Ų | 128 | 151.1 Ų | 151.1 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | trans | -85.5 | 110.4 | 173.9 | 31.5 | -27.6 | 0 | 0 | 0 | 109.6 | ||||
| 152 | V | 40.9 | Very low | 46.5 | Very low | 111 Ų | 111 | 156.3 Ų | 156.3 | 67% | 0.673 | 81% | 0.813 | S | S | * | * | trans | -135.5 | 103.9 | 164.2 | -171.2 | 0 | 0 | 0 | 0 | 110.6 | R150 | R150-V152 HydrophobicContact CG-CG2 4.31Å; R150-V152 PolarHBondContact O-N 3.37Å | ||
| 153 | S | 45.9 | Very low | 47.1 | Very low | 94 Ų | 94 | 151.1 Ų | 151.1 | 66% | 0.657 | 81% | 0.811 | S | S | * | * | trans | 47 | 113.6 | 146.4 | 78.1 | 0 | 0 | 0 | 0 | 120.9 | N155 | S153-N155 PolarHBondContact O-N 3.13Š| ||
| 154 | V | 48.1 | Very low | 47.2 | Very low | 143 Ų | 143 | 150.6 Ų | 150.6 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | 8.1 | 105.8 | 128.9 | -80.8 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 155 | N | 40.4 | Very low | 47.9 | Very low | 161 Ų | 161 | 151.9 Ų | 151.9 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | -163.3 | 151.1 | 127.7 | -146.8 | -17 | 0 | 0 | 0 | 112.2 | S153 | S153-N155 PolarHBondContact O-N 3.13Š| |||
| 156 | K | 54.1 | Low | 48.5 | Very low | 174 Ų | 174 | 147.5 Ų | 147.5 | 76% | 0.757 | 79% | 0.79 | S | S | * | * | trans | -55.2 | 157.4 | -176.2 | -156.3 | 177.9 | 169.3 | 178.9 | 0 | 114.3 | ||||
| 157 | Q | 50.6 | Low | 49.7 | Very low | 178 Ų | 178 | 145.3 Ų | 145.3 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | 80.7 | 108.3 | 161.5 | -50.8 | -173.7 | -99.9 | 0 | 0 | 117.5 | ||||
| 158 | R | 47.1 | Very low | 51.1 | Low | 241 Ų | 241 | 149.9 Ų | 149.9 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | -166.2 | 120.8 | 111.1 | -150.5 | 158.2 | 156.5 | -137.1 | -4 | 110.7 | G160 | R158-G160 PolarHBondContact O-N 3.47Š| |||
| 159 | L | 52.2 | Low | 53.1 | Low | 177 Ų | 177 | 143.4 Ų | 143.4 | 93% | 0.927 | 77% | 0.769 | S | S | * | * | trans | -55.2 | 129.6 | 161 | -72.3 | 159.8 | 0 | 0 | 0 | 108.6 | ||||
| 160 | G | 46.4 | Very low | 55.3 | Low | 43 Ų | 43 | 137.1 Ų | 137.1 | 44% | 0.443 | 75% | 0.746 | S | S | . | * | trans | 104.1 | 90.1 | 165.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | R158 M162 | R158-G160 PolarHBondContact O-N 3.47Å; G160-M162 PolarHBondContact O-N 3.42Å | ||
| 161 | A | 45.9 | Very low | 58 | Low | 110 Ų | 110 | 132.8 Ų | 132.8 | 91% | 0.909 | 74% | 0.739 | S | S | * | * | trans | -64.8 | 61.8 | 140.6 | 0 | 0 | 0 | 0 | 0 | 109 | G163 | A161-G163 VanDerWaalsContact C-N 3.28Š| ||
| 162 | M | 50.2 | Low | 60.2 | Low | 173 Ų | 173 | 132.4 Ų | 132.4 | 85% | 0.852 | 73% | 0.729 | S | S | * | * | trans | -103.9 | 41.3 | 170.9 | -52.6 | -59.5 | 165.9 | 0 | 0 | 107.8 | G160 | G160-M162 PolarHBondContact O-N 3.42Š| ||
| 163 | G | 55.9 | Low | 62.7 | Low | 71 Ų | 71 | 129.6 Ų | 129.6 | 73% | 0.732 | 71% | 0.708 | S | S | * | * | trans | -110.6 | -17.3 | -172 | 0 | 0 | 0 | 0 | 0 | 114.2 | A161 R165 | A161-G163 VanDerWaalsContact C-N 3.28Å; G163-R165 PolarHBondContact O-N 3.36Å | ||
| 164 | D | 53.3 | Low | 65.1 | Low | 159 Ų | 159 | 129.5 Ų | 129.5 | 85% | 0.85 | 70% | 0.697 | S | S | * | * | trans | -103 | 46.7 | -179.3 | -164.9 | 41 | 0 | 0 | 0 | 111.4 | ||||
| 165 | R | 65 | Low | 67.5 | Low | 167 Ų | 167 | 125.8 Ų | 125.8 | 63% | 0.63 | 68% | 0.675 | S | S | * | * | trans | -100.1 | 109 | 163.7 | -168 | 155.3 | 177.6 | -179.3 | -8.5 | 107 | G163 A167 E173 | G163-R165 PolarHBondContact O-N 3.36Å; R165-A167 PolarHBondContact O-N 3.06Å; R165-E173 IonicContact CZ-OE1 3.99Å; R165-E173 IonicContact NE-OE1 3.78Å; R165-E173 IonicContact NE-OE2 3.21Å; R165-E173 IonicContact NH1-OE1 3.97Å; R165-E173 IonicContact NH2-OE1 2.58Å; R165-E173 PolarHBondContact NH2-OE1 3.09Å; R165-E173 IonicContact NH2-OE2 3.69Å | ||
| 166 | P | 62.1 | Low | 70.2 | Confident | 86 Ų | 86 | 122.4 Ų | 122.4 | 56% | 0.558 | 66% | 0.656 | S | S | * | * | trans | -52.6 | 131.6 | 171.8 | 20.6 | -30.6 | 0 | 0 | 0 | 107.9 | R168 | P166-R168 CarbonylContact O-C 3.5Å; P166-R168 PolarHBondContact O-N 3.07Å | ||
| 167 | A | 67.9 | Low | 72.2 | Confident | 115 Ų | 115 | 116.7 Ų | 116.7 | 95% | 0.95 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -55.7 | -10.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | R165 | R165-A167 PolarHBondContact O-N 3.06Š|
| 168 | R | 76.2 | Confident | 74.4 | Confident | 210 Ų | 210 | 114.1 Ų | 114.1 | 79% | 0.792 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -115.8 | 121.6 | 175.3 | -133.2 | 176.6 | -179.4 | -168.7 | -0.7 | 110.3 | P166 S170 | P166-R168 CarbonylContact O-C 3.5Å; P166-R168 PolarHBondContact O-N 3.07Å; R168-S170 PolarHBondContact O-N 3.02Å |
| 169 | P | 80.4 | Confident | 76.8 | Confident | 56 Ų | 56 | 109.4 Ų | 109.4 | 36% | 0.364 | 61% | 0.608 | S | S | . | * | trans | -63.7 | 134 | 177.3 | 25.2 | -31.8 | 0 | 0 | 0 | 110 | E173 Q174 | P169-E173 HydrophobicContact CB-CB 4.38Å; P169-E173 HydrophobicContact CB-CG 4.18Å; P169-Q174 HydrophobicContact CB-CG 4.09Å; P169-Q174 HydrophobicContact CG-CG 4.01Å; P169-Q174 PolarHBondContact O-NE2 2.62Å | ||
| 170 | S | 92.2 | Very high | 79 | Confident | 67 Ų | 67 | 108.4 Ų | 108.4 | 47% | 0.469 | 59% | 0.592 | S | S | . | * | trans | -57.9 | 152.5 | 172.9 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | R168 I172 E173 Q174 | R168-S170 PolarHBondContact O-N 3.02Å; S170-I172 PolarHBondContact O-N 3.46Å; S170-I172 PolarHBondContact OG-N 3.16Å; S170-E173 WeakPolarHBondContact O-CA 3.21Å; S170-E173 WeakPolarHBondContact O-CB 3.12Å; S170-E173 PolarHBondContact O-N 2.75Å; S170-Q174 WeakPolarHBondContact O-CG 3.28Å; S170-Q174 PolarHBondContact O-N 2.89Å | ||
| 171 | L | 94.5 | Very high | 81.4 | Confident | 124 Ų | 124 | 110.2 Ų | 110.2 | 65% | 0.649 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -52.9 | -39.4 | 175.2 | -179.4 | 62.1 | 0 | 0 | 0 | 112.1 | E173 Q174 V175 | L171-E173 VanDerWaalsContact C-N 3.33Å; L171-E173 PolarHBondContact O-N 3.12Å; L171-Q174 WeakPolarHBondContact O-CB 3.42Å; L171-Q174 PolarHBondContact O-N 3.06Å; L171-V175 HydrophobicContact CD1-CG2 4.42Å; L171-V175 WeakPolarHBondContact O-CG2 3.06Å; L171-V175 PolarHBondContact O-N 2.72Å |
| 172 | I | 95 | Very high | 83.8 | Confident | 121 Ų | 121 | 108.4 Ų | 108.4 | 62% | 0.621 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -61.7 | -45.4 | 176.9 | -64.1 | 165.5 | 0 | 0 | 0 | 110.2 | S170 Q174 V175 L176 | S170-I172 PolarHBondContact O-N 3.46Å; S170-I172 PolarHBondContact OG-N 3.16Å; I172-Q174 VanDerWaalsContact C-N 3.33Å; I172-Q174 PolarHBondContact O-N 2.87Å; I172-V175 PolarHBondContact O-N 3.41Å; I172-L176 HydrophobicContact CG2-CD1 3.92Å; I172-L176 HydrophobicContact CG2-CG 4.35Å; I172-L176 WeakPolarHBondContact O-CB 3.49Å; I172-L176 VanDerWaalsContact O-CG 3.24Å; I172-L176 WeakPolarHBondContact O-CG 3.39Å; I172-L176 PolarHBondContact O-N 2.6Å |
| 173 | E | 94.3 | Very high | 86.1 | Confident | 52 Ų | 52 | 105.2 Ų | 105.2 | 24% | 0.243 | 56% | 0.558 | C | S | . | * | H | α-helix | trans | -65.3 | -38.6 | 178.5 | 179.9 | 167 | -150.4 | 0 | 0 | 111.8 | R165 P169 S170 L171 L176 N177 | R165-E173 IonicContact CZ-OE1 3.99Å; R165-E173 IonicContact NE-OE1 3.78Å; R165-E173 IonicContact NE-OE2 3.21Å; R165-E173 IonicContact NH1-OE1 3.97Å; R165-E173 IonicContact NH2-OE1 2.58Å; R165-E173 PolarHBondContact NH2-OE1 3.09Å; R165-E173 IonicContact NH2-OE2 3.69Å; P169-E173 HydrophobicContact CB-CB 4.38Å; P169-E173 HydrophobicContact CB-CG 4.18Å; S170-E173 WeakPolarHBondContact O-CA 3.21Å; S170-E173 WeakPolarHBondContact O-CB 3.12Å; S170-E173 PolarHBondContact O-N 2.75Å; L171-E173 VanDerWaalsContact C-N 3.33Å; L171-E173 PolarHBondContact O-N 3.12Å; E173-L176 PolarHBondContact O-N 3.17Å; E173-N177 WeakPolarHBondContact CG-ND2 3.45Å; E173-N177 VanDerWaalsContact O-CB 3.29Å; E173-N177 WeakPolarHBondContact O-CB 3.34Å; E173-N177 PolarHBondContact O-N 3.39Å; E173-N177 PolarHBondContact O-ND2 3.1Å |
| 174 | Q | 96.1 | Very high | 88 | Confident | 92 Ų | 92 | 107 Ų | 107 | 43% | 0.43 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.1 | -48.5 | 174.4 | -66.9 | 173.9 | 10.7 | 0 | 0 | 111.4 | P169 S170 L171 I172 N177 Q178 | P169-Q174 HydrophobicContact CB-CG 4.09Å; P169-Q174 HydrophobicContact CG-CG 4.01Å; P169-Q174 PolarHBondContact O-NE2 2.62Å; S170-Q174 WeakPolarHBondContact O-CG 3.28Å; S170-Q174 PolarHBondContact O-N 2.89Å; L171-Q174 WeakPolarHBondContact O-CB 3.42Å; L171-Q174 PolarHBondContact O-N 3.06Å; I172-Q174 VanDerWaalsContact C-N 3.33Å; I172-Q174 PolarHBondContact O-N 2.87Å; Q174-N177 PolarHBondContact O-N 3.31Å; Q174-Q178 WeakPolarHBondContact O-CB 3.37Å; Q174-Q178 PolarHBondContact O-N 2.82Å |
| 175 | V | 97.5 | Very high | 90.1 | Very high | 65 Ų | 65 | 107.7 Ų | 107.7 | 39% | 0.394 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 179.3 | 173 | 0 | 0 | 0 | 0 | 111 | L171 I172 Q178 K179 | L171-V175 HydrophobicContact CD1-CG2 4.42Å; L171-V175 WeakPolarHBondContact O-CG2 3.06Å; L171-V175 PolarHBondContact O-N 2.72Å; I172-V175 PolarHBondContact O-N 3.41Å; V175-Q178 PolarHBondContact O-N 2.86Å; V175-K179 HydrophobicContact CG1-CG 4.38Å; V175-K179 WeakPolarHBondContact O-CB 3.43Å; V175-K179 VanDerWaalsContact O-CG 3.29Å; V175-K179 WeakPolarHBondContact O-CG 3.34Å; V175-K179 PolarHBondContact O-N 2.74Å |
| 176 | L | 97.3 | Very high | 91.7 | Very high | 90 Ų | 90 | 101 Ų | 101 | 47% | 0.471 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 176.6 | -71.7 | 175.4 | 0 | 0 | 0 | 111.5 | I172 E173 K179 R180 | I172-L176 HydrophobicContact CG2-CD1 3.92Å; I172-L176 HydrophobicContact CG2-CG 4.35Å; I172-L176 WeakPolarHBondContact O-CB 3.49Å; I172-L176 VanDerWaalsContact O-CG 3.24Å; I172-L176 WeakPolarHBondContact O-CG 3.39Å; I172-L176 PolarHBondContact O-N 2.6Å; E173-L176 PolarHBondContact O-N 3.17Å; L176-K179 PolarHBondContact O-N 2.85Å; L176-R180 WeakPolarHBondContact O-CB 3.23Å; L176-R180 WeakPolarHBondContact O-CG 3.09Å; L176-R180 PolarHBondContact O-N 3.43Å |
| 177 | N | 95.8 | Very high | 93.4 | Very high | 54 Ų | 54 | 100.7 Ų | 100.7 | 29% | 0.289 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.4 | -39.1 | 177.5 | -75.9 | -29.8 | 0 | 0 | 0 | 111.8 | E173 Q174 R180 L181 | E173-N177 WeakPolarHBondContact CG-ND2 3.45Å; E173-N177 VanDerWaalsContact O-CB 3.29Å; E173-N177 WeakPolarHBondContact O-CB 3.34Å; E173-N177 PolarHBondContact O-N 3.39Å; E173-N177 PolarHBondContact O-ND2 3.1Å; Q174-N177 PolarHBondContact O-N 3.31Å; N177-R180 PolarHBondContact O-N 3.19Å; N177-L181 WeakPolarHBondContact O-CB 3.47Å; N177-L181 VanDerWaalsContact O-CG 3.25Å; N177-L181 WeakPolarHBondContact O-CG 3.34Å; N177-L181 PolarHBondContact O-N 3.43Å |
| 178 | Q | 97.5 | Very high | 94.8 | Very high | 123 Ų | 123 | 100.4 Ų | 100.4 | 58% | 0.575 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.3 | -51 | 172.9 | -173.9 | -173.3 | 61.1 | 0 | 0 | 110.6 | Q174 V175 R180 L181 S182 | Q174-Q178 WeakPolarHBondContact O-CB 3.37Å; Q174-Q178 PolarHBondContact O-N 2.82Å; V175-Q178 PolarHBondContact O-N 2.86Å; Q178-R180 PolarHBondContact O-N 3.38Å; Q178-L181 PolarHBondContact O-N 2.78Å; Q178-S182 WeakPolarHBondContact O-CB 3.38Å; Q178-S182 PolarHBondContact O-N 3.29Å; Q178-S182 PolarHBondContact O-OG 2.88Å; Q178-S182 VanDerWaalsContact O-OG 3.05Å |
| 179 | K | 97.9 | Very high | 95.8 | Very high | 142 Ų | 142 | 92 Ų | 92 | 62% | 0.617 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -61 | -41.8 | 178.9 | -70.2 | -70.1 | -176 | -179.1 | 0 | 112.2 | V175 L176 S182 L183 | V175-K179 HydrophobicContact CG1-CG 4.38Å; V175-K179 WeakPolarHBondContact O-CB 3.43Å; V175-K179 VanDerWaalsContact O-CG 3.29Å; V175-K179 WeakPolarHBondContact O-CG 3.34Å; V175-K179 PolarHBondContact O-N 2.74Å; L176-K179 PolarHBondContact O-N 2.85Å; K179-S182 PolarHBondContact O-N 3.45Å; K179-L183 VanDerWaalsContact O-CB 3.31Å; K179-L183 WeakPolarHBondContact O-CB 3.43Å; K179-L183 PolarHBondContact O-N 3.28Å |
| 180 | R | 97.2 | Very high | 96.7 | Very high | 157 Ų | 157 | 93.1 Ų | 93.1 | 59% | 0.592 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -59.8 | -49.7 | 174.9 | -75.6 | 170 | 176.3 | 178.3 | -3.1 | 111.7 | L176 N177 Q178 L183 L184 | L176-R180 WeakPolarHBondContact O-CB 3.23Å; L176-R180 WeakPolarHBondContact O-CG 3.09Å; L176-R180 PolarHBondContact O-N 3.43Å; N177-R180 PolarHBondContact O-N 3.19Å; Q178-R180 PolarHBondContact O-N 3.38Å; R180-L183 PolarHBondContact O-N 2.97Å; R180-L184 PolarHBondContact O-N 3.41Å |
| 181 | L | 96.8 | Very high | 96.9 | Very high | 81 Ų | 81 | 97.4 Ų | 97.4 | 42% | 0.424 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.9 | -39.7 | 179.5 | -71.5 | 175.3 | 0 | 0 | 0 | 112 | N177 Q178 L183 L184 R185 | N177-L181 WeakPolarHBondContact O-CB 3.47Å; N177-L181 VanDerWaalsContact O-CG 3.25Å; N177-L181 WeakPolarHBondContact O-CG 3.34Å; N177-L181 PolarHBondContact O-N 3.43Å; Q178-L181 PolarHBondContact O-N 2.78Å; L181-L183 VanDerWaalsContact C-N 3.34Å; L181-L184 PolarHBondContact O-N 3.02Å; L181-R185 WeakPolarHBondContact O-CB 3.39Å; L181-R185 VanDerWaalsContact O-CG 3.31Å; L181-R185 WeakPolarHBondContact O-CG 3.42Å; L181-R185 PolarHBondContact O-N 2.84Å |
| 182 | S | 97.5 | Very high | 97.1 | Very high | 71 Ų | 71 | 97 Ų | 97 | 50% | 0.497 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.7 | -41.5 | 173.5 | -68 | 0 | 0 | 0 | 0 | 111.6 | Q178 K179 R185 S186 | Q178-S182 WeakPolarHBondContact O-CB 3.38Å; Q178-S182 PolarHBondContact O-N 3.29Å; Q178-S182 PolarHBondContact O-OG 2.88Å; Q178-S182 VanDerWaalsContact O-OG 3.05Å; K179-S182 PolarHBondContact O-N 3.45Å; S182-R185 PolarHBondContact O-N 3.1Å; S182-S186 PolarHBondContact O-N 3.35Å |
| 183 | L | 97.6 | Very high | 97.2 | Very high | 107 Ų | 107 | 95.6 Ų | 95.6 | 56% | 0.56 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -62.5 | -47.3 | 176.8 | -175.4 | 71.9 | 0 | 0 | 0 | 111.2 | K179 R180 L181 R185 S186 V189 | K179-L183 VanDerWaalsContact O-CB 3.31Å; K179-L183 WeakPolarHBondContact O-CB 3.43Å; K179-L183 PolarHBondContact O-N 3.28Å; R180-L183 PolarHBondContact O-N 2.97Å; L181-L183 VanDerWaalsContact C-N 3.34Å; L183-R185 VanDerWaalsContact C-N 3.26Å; L183-R185 PolarHBondContact O-N 3.49Å; L183-S186 WeakPolarHBondContact O-CB 3.47Å; L183-S186 PolarHBondContact O-N 2.85Å; L183-V189 HydrophobicContact CD1-CG2 3.68Å; L183-V189 HydrophobicContact CG-CG2 4.13Å; L183-V189 VanDerWaalsContact O-CB 3.26Å; L183-V189 WeakPolarHBondContact O-CB 3.32Å; L183-V189 WeakPolarHBondContact O-CG2 3.45Å |
| 184 | L | 96.3 | Very high | 97.3 | Very high | 107 Ų | 107 | 98.2 Ų | 98.2 | 56% | 0.56 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -71.1 | -19.8 | -179.8 | -68.6 | 176 | 0 | 0 | 0 | 113.9 | R180 L181 I190 | R180-L184 PolarHBondContact O-N 3.41Å; L181-L184 PolarHBondContact O-N 3.02Å; L184-I190 WeakPolarHBondContact O-CG1 3.49Å |
| 185 | R | 96.8 | Very high | 97.4 | Very high | 174 Ų | 174 | 99.1 Ų | 99.1 | 66% | 0.657 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -94 | -4.7 | 174.2 | -68.5 | -175.6 | -175.8 | 117.8 | 1.9 | 113.6 | L181 S182 L183 | L181-R185 WeakPolarHBondContact O-CB 3.39Å; L181-R185 VanDerWaalsContact O-CG 3.31Å; L181-R185 WeakPolarHBondContact O-CG 3.42Å; L181-R185 PolarHBondContact O-N 2.84Å; S182-R185 PolarHBondContact O-N 3.1Å; L183-R185 VanDerWaalsContact C-N 3.26Å; L183-R185 PolarHBondContact O-N 3.49Å |
| 186 | S | 98.1 | Very high | 97.4 | Very high | 27 Ų | 27 | 99.9 Ų | 99.9 | 19% | 0.189 | 48% | 0.478 | C | S | . | . | trans | -67.1 | 128.3 | 177.8 | 148.1 | 0 | 0 | 0 | 0 | 109.6 | S182 L183 E188 V189 I190 | S182-S186 PolarHBondContact O-N 3.35Å; L183-S186 WeakPolarHBondContact O-CB 3.47Å; L183-S186 PolarHBondContact O-N 2.85Å; S186-E188 PolarHBondContact O-N 3.3Å; S186-E188 PolarHBondContact OG-N 2.75Å; S186-E188 PolarHBondContact OG-OE2 3.18Å; S186-V189 PolarHBondContact O-N 3.36Å; S186-V189 VanDerWaalsContact O-N 3.16Å; S186-V189 PolarHBondContact OG-N 2.77Å; S186-I190 VanDerWaalsContact O-CG1 3.29Å; S186-I190 WeakPolarHBondContact O-CG1 3.18Å; S186-I190 PolarHBondContact O-N 2.84Å | ||
| 187 | P | 97.9 | Very high | 97.3 | Very high | 79 Ų | 79 | 102.5 Ų | 102.5 | 51% | 0.513 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.3 | -26.2 | 179.4 | 22.2 | -30.7 | 0 | 0 | 0 | 112.6 | R191 | P187-R191 WeakPolarHBondContact O-CB 3.44Å; P187-R191 WeakPolarHBondContact O-CG 3.23Å; P187-R191 PolarHBondContact O-N 3.34Å; P187-R191 PolarHBondContact O-NE 2.92Å |
| 188 | E | 97.9 | Very high | 97.3 | Very high | 109 Ų | 109 | 105.6 Ų | 105.6 | 51% | 0.509 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.1 | -50.4 | 174.5 | -59.7 | 68.5 | -152.8 | 0 | 0 | 111 | S186 I190 R191 F192 | S186-E188 PolarHBondContact O-N 3.3Å; S186-E188 PolarHBondContact OG-N 2.75Å; S186-E188 PolarHBondContact OG-OE2 3.18Å; E188-I190 VanDerWaalsContact C-N 3.35Å; E188-R191 PolarHBondContact O-N 3.05Å; E188-F192 WeakPolarHBondContact O-CB 2.9Å; E188-F192 PolarHBondContact O-N 2.93Å |
| 189 | V | 98.1 | Very high | 97.3 | Very high | 33 Ų | 33 | 104.5 Ų | 104.5 | 20% | 0.2 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -64.9 | -41.8 | 178.3 | 176.3 | 0 | 0 | 0 | 0 | 110.6 | L183 S186 F192 L193 | L183-V189 HydrophobicContact CD1-CG2 3.68Å; L183-V189 HydrophobicContact CG-CG2 4.13Å; L183-V189 VanDerWaalsContact O-CB 3.26Å; L183-V189 WeakPolarHBondContact O-CB 3.32Å; L183-V189 WeakPolarHBondContact O-CG2 3.45Å; S186-V189 PolarHBondContact O-N 3.36Å; S186-V189 VanDerWaalsContact O-N 3.16Å; S186-V189 PolarHBondContact OG-N 2.77Å; V189-F192 PolarHBondContact O-N 2.84Å; V189-L193 HydrophobicContact CG1-CD1 3.84Å; V189-L193 HydrophobicContact CG1-CG 4.26Å; V189-L193 WeakPolarHBondContact O-CB 3.4Å; V189-L193 VanDerWaalsContact O-CG 3.31Å; V189-L193 WeakPolarHBondContact O-CG 3.21Å; V189-L193 PolarHBondContact O-N 3.17Å |
| 190 | I | 97.7 | Very high | 97.1 | Very high | 80 Ų | 80 | 102.9 Ų | 102.9 | 41% | 0.41 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.9 | -49.7 | 177.1 | -66.9 | 165.7 | 0 | 0 | 0 | 110.5 | L184 S186 E188 F192 L193 Q194 | L184-I190 WeakPolarHBondContact O-CG1 3.49Å; S186-I190 VanDerWaalsContact O-CG1 3.29Å; S186-I190 WeakPolarHBondContact O-CG1 3.18Å; S186-I190 PolarHBondContact O-N 2.84Å; E188-I190 VanDerWaalsContact C-N 3.35Å; I190-F192 VanDerWaalsContact C-N 3.31Å; I190-F192 PolarHBondContact O-N 3.05Å; I190-L193 PolarHBondContact O-N 3Å; I190-Q194 VanDerWaalsContact O-CB 3.27Å; I190-Q194 WeakPolarHBondContact O-CB 3.43Å; I190-Q194 PolarHBondContact O-N 3.28Å |
| 191 | R | 97.8 | Very high | 97 | Very high | 158 Ų | 158 | 97.4 Ų | 97.4 | 60% | 0.596 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -58.9 | -43.4 | 177.4 | -77.6 | -175.8 | -60.8 | 156.3 | -1.9 | 111.8 | P187 E188 Q194 Q195 | P187-R191 WeakPolarHBondContact O-CB 3.44Å; P187-R191 WeakPolarHBondContact O-CG 3.23Å; P187-R191 PolarHBondContact O-N 3.34Å; P187-R191 PolarHBondContact O-NE 2.92Å; E188-R191 PolarHBondContact O-N 3.05Å; R191-Q194 PolarHBondContact O-N 3.4Å; R191-Q195 WeakPolarHBondContact O-CB 3.24Å; R191-Q195 PolarHBondContact O-N 2.82Å |
| 192 | F | 98.2 | Very high | 96.7 | Very high | 115 Ų | 115 | 96 Ų | 96 | 50% | 0.504 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.9 | -50.8 | 177.2 | 173.5 | -99 | 0 | 0 | 0 | 111.8 | E188 V189 I190 Q194 Q195 Q196 | E188-F192 WeakPolarHBondContact O-CB 2.9Å; E188-F192 PolarHBondContact O-N 2.93Å; V189-F192 PolarHBondContact O-N 2.84Å; I190-F192 VanDerWaalsContact C-N 3.31Å; I190-F192 PolarHBondContact O-N 3.05Å; F192-Q194 VanDerWaalsContact C-N 3.33Å; F192-Q194 PolarHBondContact O-N 3.36Å; F192-Q195 PolarHBondContact O-N 3.08Å; F192-Q196 HydrophobicContact CD1-CG 4.43Å; F192-Q196 HydrophobicContact CE1-CG 3.98Å; F192-Q196 HydrophobicContact CE2-CG 4.11Å; F192-Q196 HydrophobicContact CZ-CG 3.81Å; F192-Q196 WeakPolarHBondContact O-CG 3.46Å; F192-Q196 PolarHBondContact O-N 3.03Å |
| 193 | L | 97.3 | Very high | 96.3 | Very high | 91 Ų | 91 | 98.3 Ų | 98.3 | 48% | 0.476 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.2 | -40.1 | 179.4 | -70.6 | 174.8 | 0 | 0 | 0 | 111.9 | V189 I190 Q196 Q197 | V189-L193 HydrophobicContact CG1-CD1 3.84Å; V189-L193 HydrophobicContact CG1-CG 4.26Å; V189-L193 WeakPolarHBondContact O-CB 3.4Å; V189-L193 VanDerWaalsContact O-CG 3.31Å; V189-L193 WeakPolarHBondContact O-CG 3.21Å; V189-L193 PolarHBondContact O-N 3.17Å; I190-L193 PolarHBondContact O-N 3Å; L193-Q196 PolarHBondContact O-N 3.17Å; L193-Q197 WeakPolarHBondContact O-CB 3.16Å; L193-Q197 PolarHBondContact O-N 3.38Å |
| 194 | Q | 96.9 | Very high | 95.7 | Very high | 107 Ų | 107 | 96.3 Ų | 96.3 | 50% | 0.5 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 175.9 | -172.8 | 177.5 | 17.4 | 0 | 0 | 111.5 | I190 R191 F192 Q197 Q198 | I190-Q194 VanDerWaalsContact O-CB 3.27Å; I190-Q194 WeakPolarHBondContact O-CB 3.43Å; I190-Q194 PolarHBondContact O-N 3.28Å; R191-Q194 PolarHBondContact O-N 3.4Å; F192-Q194 VanDerWaalsContact C-N 3.33Å; F192-Q194 PolarHBondContact O-N 3.36Å; Q194-Q197 PolarHBondContact O-N 2.76Å; Q194-Q198 WeakPolarHBondContact O-CG 3.41Å; Q194-Q198 PolarHBondContact O-N 3.08Å |
| 195 | Q | 97.6 | Very high | 95.1 | Very high | 112 Ų | 112 | 99.7 Ų | 99.7 | 52% | 0.523 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.6 | -45.4 | 175.9 | -174.7 | 179.5 | 29.7 | 0 | 0 | 111.5 | R191 F192 Q197 Q198 L199 | R191-Q195 WeakPolarHBondContact O-CB 3.24Å; R191-Q195 PolarHBondContact O-N 2.82Å; F192-Q195 PolarHBondContact O-N 3.08Å; Q195-Q197 VanDerWaalsContact C-N 3.31Å; Q195-Q197 PolarHBondContact O-N 3.38Å; Q195-Q198 PolarHBondContact O-N 3.36Å; Q195-L199 HydrophobicContact CG-CD1 4.49Å; Q195-L199 WeakPolarHBondContact O-CG 3.41Å; Q195-L199 PolarHBondContact O-N 3.33Å; Q195-L199 VanDerWaalsContact O-N 3.09Å |
| 196 | Q | 96.9 | Very high | 94.1 | Very high | 80 Ų | 80 | 94.9 Ų | 94.9 | 37% | 0.374 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.5 | -42.2 | 176.4 | -68.7 | -60.3 | -51.3 | 0 | 0 | 111.4 | F192 L193 Q198 L199 L200 | F192-Q196 HydrophobicContact CD1-CG 4.43Å; F192-Q196 HydrophobicContact CE1-CG 3.98Å; F192-Q196 HydrophobicContact CE2-CG 4.11Å; F192-Q196 HydrophobicContact CZ-CG 3.81Å; F192-Q196 WeakPolarHBondContact O-CG 3.46Å; F192-Q196 PolarHBondContact O-N 3.03Å; L193-Q196 PolarHBondContact O-N 3.17Å; Q196-Q198 PolarHBondContact O-N 3.21Å; Q196-L199 PolarHBondContact O-N 2.92Å; Q196-L200 WeakPolarHBondContact O-CG 3.28Å; Q196-L200 PolarHBondContact O-N 3.32Å |
| 197 | Q | 96.3 | Very high | 93.1 | Very high | 145 Ų | 145 | 99.8 Ų | 99.8 | 68% | 0.678 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.7 | -39.1 | 177.8 | -175.1 | 167.9 | 71.2 | 0 | 0 | 112.6 | L193 Q194 Q195 L200 A201 | L193-Q197 WeakPolarHBondContact O-CB 3.16Å; L193-Q197 PolarHBondContact O-N 3.38Å; Q194-Q197 PolarHBondContact O-N 2.76Å; Q195-Q197 VanDerWaalsContact C-N 3.31Å; Q195-Q197 PolarHBondContact O-N 3.38Å; Q197-L200 PolarHBondContact O-N 3.23Å; Q197-A201 VanDerWaalsContact O-CB 3.25Å; Q197-A201 WeakPolarHBondContact O-CB 3.49Å; Q197-A201 PolarHBondContact O-N 2.82Å |
| 198 | Q | 95.9 | Very high | 91.9 | Very high | 119 Ų | 119 | 99.2 Ų | 99.2 | 56% | 0.556 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.9 | -42.6 | 175.1 | -73.7 | 174.8 | -1 | 0 | 0 | 112.1 | Q194 Q195 Q196 A201 A202 | Q194-Q198 WeakPolarHBondContact O-CG 3.41Å; Q194-Q198 PolarHBondContact O-N 3.08Å; Q195-Q198 PolarHBondContact O-N 3.36Å; Q196-Q198 PolarHBondContact O-N 3.21Å; Q198-A201 PolarHBondContact O-N 2.88Å; Q198-A202 WeakPolarHBondContact O-CB 3.25Å; Q198-A202 PolarHBondContact O-N 2.88Å |
| 199 | L | 96 | Very high | 90.6 | Very high | 100 Ų | 100 | 100 Ų | 100 | 52% | 0.524 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.4 | -45.5 | 177.8 | -70.3 | 172.2 | 0 | 0 | 0 | 111.7 | Q195 Q196 A202 Q203 | Q195-L199 HydrophobicContact CG-CD1 4.49Å; Q195-L199 WeakPolarHBondContact O-CG 3.41Å; Q195-L199 PolarHBondContact O-N 3.33Å; Q195-L199 VanDerWaalsContact O-N 3.09Å; Q196-L199 PolarHBondContact O-N 2.92Å; L199-A202 PolarHBondContact O-N 3.07Å; L199-Q203 PolarHBondContact O-N 3.08Å |
| 200 | L | 95.1 | Very high | 88.8 | Confident | 109 Ų | 109 | 105 Ų | 105 | 57% | 0.571 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.7 | -42.2 | 176.5 | -68.8 | 173.5 | 0 | 0 | 0 | 111.6 | Q196 Q197 A202 Q203 S204 | Q196-L200 WeakPolarHBondContact O-CG 3.28Å; Q196-L200 PolarHBondContact O-N 3.32Å; Q197-L200 PolarHBondContact O-N 3.23Å; L200-A202 PolarHBondContact O-N 3.31Å; L200-Q203 PolarHBondContact O-N 3Å; L200-S204 PolarHBondContact O-N 2.89Å; L200-S204 PolarHBondContact O-OG 3.48Å |
| 201 | A | 94 | Very high | 87 | Confident | 41 Ų | 41 | 108.7 Ų | 108.7 | 34% | 0.339 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.8 | -36.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q197 Q198 S204 R205 | Q197-A201 VanDerWaalsContact O-CB 3.25Å; Q197-A201 WeakPolarHBondContact O-CB 3.49Å; Q197-A201 PolarHBondContact O-N 2.82Å; Q198-A201 PolarHBondContact O-N 2.88Å; A201-S204 WeakPolarHBondContact CA-OG 3.31Å; A201-S204 PolarHBondContact O-OG 3.37Å; A201-R205 WeakPolarHBondContact O-CB 3.2Å; A201-R205 VanDerWaalsContact O-CG 3.25Å; A201-R205 WeakPolarHBondContact O-CG 3.33Å; A201-R205 PolarHBondContact O-N 2.93Å |
| 202 | A | 90.9 | Very high | 85 | Confident | 53 Ų | 53 | 109.7 Ų | 109.7 | 44% | 0.438 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.1 | -46.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q198 L199 L200 S204 R205 S206 | Q198-A202 WeakPolarHBondContact O-CB 3.25Å; Q198-A202 PolarHBondContact O-N 2.88Å; L199-A202 PolarHBondContact O-N 3.07Å; L200-A202 PolarHBondContact O-N 3.31Å; A202-S204 PolarHBondContact O-N 3.34Å; A202-R205 PolarHBondContact O-N 3.18Å; A202-S206 PolarHBondContact O-N 2.94Å; A202-S206 PolarHBondContact O-OG 3.03Å; A202-S206 VanDerWaalsContact O-OG 3.04Å |
| 203 | Q | 88.8 | Confident | 83.1 | Confident | 118 Ų | 118 | 111.3 Ų | 111.3 | 55% | 0.551 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -60.7 | -44.1 | 177.2 | -173.4 | -175.7 | 80.5 | 0 | 0 | 112.1 | L199 L200 R205 S206 Q207 | L199-Q203 PolarHBondContact O-N 3.08Å; L200-Q203 PolarHBondContact O-N 3Å; Q203-R205 PolarHBondContact O-N 2.91Å; Q203-S206 PolarHBondContact O-N 3.45Å; Q203-Q207 PolarHBondContact O-N 3.31Å; Q203-Q207 VanDerWaalsContact O-N 3.09Å |
| 204 | S | 85.1 | Confident | 81.2 | Confident | 66 Ų | 66 | 110.2 Ų | 110.2 | 46% | 0.462 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.7 | -38.3 | 179.2 | 65.2 | 0 | 0 | 0 | 0 | 112.3 | L200 A201 A202 Q207 S208 | L200-S204 PolarHBondContact O-N 2.89Å; L200-S204 PolarHBondContact O-OG 3.48Å; A201-S204 WeakPolarHBondContact CA-OG 3.31Å; A201-S204 PolarHBondContact O-OG 3.37Å; A202-S204 PolarHBondContact O-N 3.34Å; S204-Q207 PolarHBondContact O-N 2.79Å; S204-S208 PolarHBondContact O-N 3.06Å |
| 205 | R | 84.2 | Confident | 78.6 | Confident | 178 Ų | 178 | 113.9 Ų | 113.9 | 67% | 0.672 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -65.1 | -38.9 | 175.7 | -77.3 | 175.4 | 178.2 | -112 | 1.2 | 112.1 | A201 A202 Q203 S208 Q209 | A201-R205 WeakPolarHBondContact O-CB 3.2Å; A201-R205 VanDerWaalsContact O-CG 3.25Å; A201-R205 WeakPolarHBondContact O-CG 3.33Å; A201-R205 PolarHBondContact O-N 2.93Å; A202-R205 PolarHBondContact O-N 3.18Å; Q203-R205 PolarHBondContact O-N 2.91Å; R205-S208 PolarHBondContact O-N 2.88Å; R205-S208 PolarHBondContact O-OG 2.86Å; R205-Q209 WeakPolarHBondContact O-CG 3.49Å; R205-Q209 PolarHBondContact O-N 2.99Å |
| 206 | S | 76.5 | Confident | 77.6 | Confident | 73 Ų | 73 | 114 Ų | 114 | 51% | 0.51 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -63.5 | -43.1 | 174.7 | -55.9 | 0 | 0 | 0 | 0 | 111.5 | A202 Q203 Q209 Q210 | A202-S206 PolarHBondContact O-N 2.94Å; A202-S206 PolarHBondContact O-OG 3.03Å; A202-S206 VanDerWaalsContact O-OG 3.04Å; Q203-S206 PolarHBondContact O-N 3.45Å; S206-Q209 PolarHBondContact O-N 2.85Å; S206-Q210 WeakPolarHBondContact O-CG 3.39Å; S206-Q210 PolarHBondContact O-N 2.84Å |
| 207 | Q | 76.6 | Confident | 76.6 | Confident | 129 Ų | 129 | 115.7 Ų | 115.7 | 60% | 0.603 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -64.2 | -40.8 | 176.1 | -72.2 | -174.5 | 41.5 | 0 | 0 | 112.5 | Q203 S204 Q209 Q210 H211 | Q203-Q207 PolarHBondContact O-N 3.31Å; Q203-Q207 VanDerWaalsContact O-N 3.09Å; S204-Q207 PolarHBondContact O-N 2.79Å; Q207-Q209 PolarHBondContact O-N 3.44Å; Q207-Q210 PolarHBondContact O-N 3.29Å; Q207-H211 PolarHBondContact O-N 3.31Å |
| 208 | S | 73.2 | Confident | 75.5 | Confident | 68 Ų | 68 | 114.1 Ų | 114.1 | 48% | 0.476 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -68.6 | -33.5 | 179 | 73.5 | 0 | 0 | 0 | 0 | 113 | S204 R205 H211 F212 | S204-S208 PolarHBondContact O-N 3.06Å; R205-S208 PolarHBondContact O-N 2.88Å; R205-S208 PolarHBondContact O-OG 2.86Å; S208-H211 PolarHBondContact O-N 3.35Å; S208-F212 PolarHBondContact O-N 2.88Å |
| 209 | Q | 69.7 | Low | 74.3 | Confident | 124 Ų | 124 | 113.8 Ų | 113.8 | 58% | 0.579 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -69.6 | -38.2 | 175.9 | -77 | -170.5 | 31.2 | 0 | 0 | 112.6 | R205 S206 Q207 H211 F212 Q213 | R205-Q209 WeakPolarHBondContact O-CG 3.49Å; R205-Q209 PolarHBondContact O-N 2.99Å; S206-Q209 PolarHBondContact O-N 2.85Å; Q207-Q209 PolarHBondContact O-N 3.44Å; Q209-H211 VanDerWaalsContact C-N 3.27Å; Q209-H211 PolarHBondContact O-N 2.92Å; Q209-F212 PolarHBondContact O-N 2.94Å; Q209-F212 VanDerWaalsContact O-N 3.14Å; Q209-Q213 PolarHBondContact O-N 2.85Å |
| 210 | Q | 61.4 | Low | 73 | Confident | 140 Ų | 140 | 114.7 Ų | 114.7 | 65% | 0.654 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -65.3 | -32.3 | 175.5 | -64.8 | -65.3 | -12.5 | 0 | 0 | 112.1 | S206 Q207 F212 | S206-Q210 WeakPolarHBondContact O-CG 3.39Å; S206-Q210 PolarHBondContact O-N 2.84Å; Q207-Q210 PolarHBondContact O-N 3.29Å; Q210-F212 VanDerWaalsContact C-N 3.27Å; Q210-F212 PolarHBondContact O-N 3.5Å |
| 211 | H | 59.3 | Low | 71.5 | Confident | 156 Ų | 156 | 115.1 Ų | 115.1 | 72% | 0.722 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -68.4 | -26.1 | 174.5 | -168.7 | 55.7 | 0 | 0 | 0 | 113 | Q207 S208 Q209 | Q207-H211 PolarHBondContact O-N 3.31Å; S208-H211 PolarHBondContact O-N 3.35Å; Q209-H211 VanDerWaalsContact C-N 3.27Å; Q209-H211 PolarHBondContact O-N 2.92Å |
| 212 | F | 56.3 | Low | 69.9 | Low | 180 Ų | 180 | 120.4 Ų | 120.4 | 79% | 0.789 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -91.9 | -16.8 | -178 | -122 | -90.5 | 0 | 0 | 0 | 114.4 | S208 Q209 Q210 | S208-F212 PolarHBondContact O-N 2.88Å; Q209-F212 PolarHBondContact O-N 2.94Å; Q209-F212 VanDerWaalsContact O-N 3.14Å; Q210-F212 VanDerWaalsContact C-N 3.27Å; Q210-F212 PolarHBondContact O-N 3.5Å |
| 213 | Q | 57.8 | Low | 68.3 | Low | 149 Ų | 149 | 125.5 Ų | 125.5 | 70% | 0.696 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -94.1 | 1.8 | 178 | -71.1 | -174.8 | 1.2 | 0 | 0 | 113.9 | Q209 | Q209-Q213 PolarHBondContact O-N 2.85Š|
| 214 | G | 56.2 | Low | 66.6 | Low | 67 Ų | 67 | 126.2 Ų | 126.2 | 69% | 0.691 | 68% | 0.675 | S | S | * | * | trans | -101.8 | 20.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 215 | C | 42.6 | Very low | 64.9 | Low | 184 Ų | 184 | 131.6 Ų | 131.6 | 100% | 1.243 | 69% | 0.694 | S | S | * | * | trans | -126.1 | 0 | 176.4 | -67.6 | 0 | 0 | 0 | 0 | 110.8 |
Retrieved 215 of 215 residues in 36.1 ms
(Link to these results)