| 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 | 32.1 | Very low | 37.3 | Very low | 229 Ų | 229 | 161.3 Ų | 161.3 | 100% | 1.128 | 83% | 0.83 | S | S | * | * | 0 | 108.8 | 0 | -154.4 | 143.5 | -179.3 | 0 | 0 | 106.6 | |||||
| 2 | E | 33.5 | Very low | 37.4 | Very low | 173 Ų | 173 | 158.6 Ų | 158.6 | 81% | 0.808 | 81% | 0.811 | S | S | * | * | trans | 43.5 | 111.3 | 159.9 | -66.8 | 166.9 | 127.5 | 0 | 0 | 121.7 | ||||
| 3 | T | 41.6 | Very low | 37.7 | Very low | 138 Ų | 138 | 158.5 Ų | 158.5 | 85% | 0.847 | 81% | 0.805 | S | S | * | * | trans | -94 | 144.9 | 148.3 | 42.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 4 | P | 45.3 | Very low | 37.8 | Very low | 120 Ų | 120 | 158.7 Ų | 158.7 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | trans | -127.7 | 110 | 152.4 | 26.7 | -8.7 | 0 | 0 | 0 | 110.8 | ||||
| 5 | Q | 34.5 | Very low | 38.5 | Very low | 184 Ų | 184 | 156.7 Ų | 156.7 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | 89.8 | 80.1 | 82.3 | -168.3 | 158.7 | -3.8 | 0 | 0 | 112.4 | |||||
| 6 | E | 39.8 | Very low | 38.4 | Very low | 194 Ų | 194 | 158.5 Ų | 158.5 | 91% | 0.907 | 79% | 0.785 | S | S | * | * | trans | -83.7 | 119.3 | 155.2 | -69 | -165.8 | 121.4 | 0 | 0 | 108.4 | ||||
| 7 | D | 37.8 | Very low | 38.7 | Very low | 141 Ų | 141 | 161.1 Ų | 161.1 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | trans | -173.2 | 107.9 | 158.1 | -120.8 | -21.8 | 0 | 0 | 0 | 112.5 | ||||
| 8 | H | 37.5 | Very low | 38.4 | Very low | 173 Ų | 173 | 155.2 Ų | 155.2 | 80% | 0.801 | 78% | 0.778 | S | S | * | * | trans | -179.7 | 43.1 | 137.7 | -107.1 | 79.7 | 0 | 0 | 0 | 115 | R10 | H8-R10 VanDerWaalsContact C-N 3.32Å; H8-R10 PolarHBondContact O-N 3.41Å | ||
| 9 | L | 39.3 | Very low | 38.5 | Very low | 186 Ų | 186 | 157 Ų | 157 | 97% | 0.974 | 78% | 0.784 | S | S | * | * | trans | -93.4 | 64.7 | 161.8 | -74 | 168.9 | 0 | 0 | 0 | 109.7 | G11 | L9-G11 PolarHBondContact O-N 3.36Š| ||
| 10 | R | 34.5 | Very low | 38.7 | Very low | 177 Ų | 177 | 157.7 Ų | 157.7 | 67% | 0.668 | 79% | 0.79 | S | S | * | * | trans | -86.1 | 110.6 | 176.2 | -150.8 | 175 | -150 | -95.8 | 2.4 | 110.4 | H8 | H8-R10 VanDerWaalsContact C-N 3.32Å; H8-R10 PolarHBondContact O-N 3.41Å | ||
| 11 | G | 34.5 | Very low | 38.9 | Very low | 59 Ų | 59 | 152.4 Ų | 152.4 | 61% | 0.608 | 78% | 0.775 | S | S | * | * | trans | -45.2 | 132 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | L9 H13 | L9-G11 PolarHBondContact O-N 3.36Å; G11-H13 PolarHBondContact O-N 3.13Å | ||
| 12 | Q | 38.7 | Very low | 39.9 | Very low | 129 Ų | 129 | 147.3 Ų | 147.3 | 60% | 0.603 | 76% | 0.762 | S | S | * | * | trans | -82.5 | 93.7 | 174.1 | -61.8 | -171.5 | 15.2 | 0 | 0 | 109.2 | Y14 | Q12-Y14 HydrophobicContact CB-CD2 4.31Å; Q12-Y14 HydrophobicContact CB-CE2 4.14Å; Q12-Y14 PolarHBondContact O-N 3.25Å; Q12-Y14 VanDerWaalsContact O-N 3.13Å | ||
| 13 | H | 41.4 | Very low | 41 | Very low | 158 Ų | 158 | 145 Ų | 145 | 73% | 0.731 | 75% | 0.75 | S | S | * | * | trans | -74.6 | 102.8 | 167.3 | -77.8 | -83.3 | 0 | 0 | 0 | 109.4 | G11 H15 | G11-H13 PolarHBondContact O-N 3.13Å; H13-H15 PolarHBondContact O-N 2.75Å | ||
| 14 | Y | 38.5 | Very low | 41.4 | Very low | 161 Ų | 161 | 146 Ų | 146 | 63% | 0.631 | 75% | 0.75 | S | S | * | * | trans | -77.5 | 103 | 166.6 | -75.4 | -95.7 | 0 | 0 | 0 | 108.4 | Q12 Q16 R36 | Q12-Y14 HydrophobicContact CB-CD2 4.31Å; Q12-Y14 HydrophobicContact CB-CE2 4.14Å; Q12-Y14 PolarHBondContact O-N 3.25Å; Q12-Y14 VanDerWaalsContact O-N 3.13Å; Y14-Q16 PolarHBondContact O-N 3.36Å; Y14-R36 PolarHBondContact OH-NH1 3.39Å | ||
| 15 | H | 48.4 | Very low | 41.9 | Very low | 128 Ų | 128 | 143.2 Ų | 143.2 | 59% | 0.593 | 74% | 0.737 | S | S | * | * | trans | -90.3 | 98.4 | 170.8 | -76.8 | -73.6 | 0 | 0 | 0 | 109.7 | H13 F23 | H13-H15 PolarHBondContact O-N 2.75Å; H15-F23 AromaticContact ND1-CE1 3.68Å; H15-F23 AromaticContact ND1-CZ 3.94Å | ||
| 16 | Q | 36.8 | Very low | 43.1 | Very low | 186 Ų | 186 | 138 Ų | 138 | 87% | 0.869 | 72% | 0.719 | S | S | * | * | trans | -68.5 | 127.5 | 168.3 | -160.6 | -173.1 | 45.1 | 0 | 0 | 108.4 | Y14 G18 | Y14-Q16 PolarHBondContact O-N 3.36Å; Q16-G18 PolarHBondContact O-N 3.48Å | ||
| 17 | K | 42.8 | Very low | 43.9 | Very low | 203 Ų | 203 | 136.8 Ų | 136.8 | 88% | 0.883 | 72% | 0.719 | S | S | * | * | trans | -74.5 | 94.5 | -175.2 | -175.7 | 175.3 | -179.5 | -177.5 | 0 | 110.5 | ||||
| 18 | G | 33.6 | Very low | 44.9 | Very low | 55 Ų | 55 | 138.7 Ų | 138.7 | 57% | 0.567 | 72% | 0.723 | S | S | * | * | trans | -74.1 | 134.2 | 157.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q16 N20 | Q16-G18 PolarHBondContact O-N 3.48Å; G18-N20 PolarHBondContact O-N 2.88Å | ||
| 19 | Q | 40.6 | Very low | 46.3 | Very low | 189 Ų | 189 | 137.5 Ų | 137.5 | 88% | 0.883 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.4 | 119.8 | 168.7 | -69.3 | 167.3 | -9.3 | 0 | 0 | 107.6 | ||
| 20 | N | 42.8 | Very low | 47.8 | Very low | 171 Ų | 171 | 134.3 Ų | 134.3 | 91% | 0.914 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 87.6 | 29.7 | 174 | -47.2 | -16.8 | 0 | 0 | 0 | 119 | G18 | G18-N20 PolarHBondContact O-N 2.88Š|
| 21 | G | 42.3 | Very low | 49.9 | Very low | 46 Ų | 46 | 133.1 Ų | 133.1 | 47% | 0.474 | 70% | 0.699 | S | S | . | * | trans | -93.2 | 102.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F23 | G21-F23 WeakPolarHBondContact O-CD2 3.37Š| ||
| 22 | S | 54.1 | Low | 52.1 | Low | 122 Ų | 122 | 135.8 Ų | 135.8 | 85% | 0.853 | 71% | 0.708 | S | S | * | * | trans | -72.9 | 124.4 | 158.2 | -175.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 23 | F | 56.6 | Low | 54.4 | Low | 125 Ų | 125 | 136.5 Ų | 136.5 | 55% | 0.548 | 72% | 0.715 | S | S | . | * | trans | -105 | 130.3 | 177.6 | -70.1 | -83.5 | 0 | 0 | 0 | 108.8 | H15 G21 A25 | H15-F23 AromaticContact ND1-CE1 3.68Å; H15-F23 AromaticContact ND1-CZ 3.94Å; G21-F23 WeakPolarHBondContact O-CD2 3.37Å; F23-A25 PolarHBondContact O-N 3.13Å | ||
| 24 | D | 49.3 | Very low | 56.6 | Low | 160 Ų | 160 | 136.9 Ų | 136.9 | 86% | 0.856 | 72% | 0.715 | S | S | * | * | trans | -57.6 | 135.4 | 174 | -70.6 | -45.4 | 0 | 0 | 0 | 110.8 | ||||
| 25 | A | 56.1 | Low | 58.9 | Low | 60 Ų | 60 | 131.9 Ų | 131.9 | 50% | 0.496 | 70% | 0.698 | S | S | . | * | trans | -60.5 | 131.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | F23 N27 Y31 | F23-A25 PolarHBondContact O-N 3.13Å; A25-N27 PolarHBondContact O-N 3.06Å; A25-N27 VanDerWaalsContact O-N 3.13Å; A25-Y31 WeakPolarHBondContact CA-OH 2.93Å; A25-Y31 WeakPolarHBondContact CB-OH 3.16Å | ||
| 26 | P | 58.9 | Low | 60.9 | Low | 76 Ų | 76 | 130.3 Ų | 130.3 | 49% | 0.494 | 69% | 0.687 | S | S | . | * | trans | -66.1 | 114.7 | 162.4 | -7.1 | 21.8 | 0 | 0 | 0 | 107.8 | E28 | P26-E28 PolarHBondContact O-N 3.19Š| ||
| 27 | N | 57 | Low | 63.4 | Low | 167 Ų | 167 | 128.9 Ų | 128.9 | 89% | 0.893 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -5 | -172.7 | -137.2 | -8.4 | 0 | 0 | 0 | 114.6 | A25 | A25-N27 PolarHBondContact O-N 3.06Å; A25-N27 VanDerWaalsContact O-N 3.13Å |
| 28 | E | 59.3 | Low | 65.5 | Low | 182 Ų | 182 | 122.5 Ų | 122.5 | 85% | 0.85 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136 | -3.6 | -168.7 | -65.6 | -178.8 | 171 | 0 | 0 | 115.3 | P26 | P26-E28 PolarHBondContact O-N 3.19Š|
| 29 | R | 65.8 | Low | 68.2 | Low | 148 Ų | 148 | 123.1 Ų | 123.1 | 56% | 0.558 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -133.4 | 140 | -176.9 | -67.4 | -173.7 | -174.4 | -164.2 | -2.4 | 113 | Y31 | R29-Y31 PolarHBondContact O-N 3.46Š|
| 30 | P | 71.9 | Confident | 70.4 | Confident | 119 Ų | 119 | 116.6 Ų | 116.6 | 77% | 0.773 | 63% | 0.632 | S | S | * | * | trans | -61.2 | 138.7 | 172.6 | 26.1 | -33 | 0 | 0 | 0 | 110.3 | S32 | P30-S32 PolarHBondContact O-N 3.34Š| ||
| 31 | Y | 77.4 | Confident | 72.5 | Confident | 151 Ų | 151 | 113.6 Ų | 113.6 | 59% | 0.592 | 62% | 0.623 | S | S | * | * | trans | -57.5 | 131.2 | 173.1 | -66.3 | -82.8 | 0 | 0 | 0 | 110.3 | A25 R29 | A25-Y31 WeakPolarHBondContact CA-OH 2.93Å; A25-Y31 WeakPolarHBondContact CB-OH 3.16Å; R29-Y31 PolarHBondContact O-N 3.46Å | ||
| 32 | S | 81.9 | Confident | 74.7 | Confident | 115 Ų | 115 | 113.6 Ų | 113.6 | 80% | 0.804 | 61% | 0.612 | S | S | * | * | trans | -129.7 | 136.5 | 179.9 | 62 | 0 | 0 | 0 | 0 | 111.4 | P30 | P30-S32 PolarHBondContact O-N 3.34Š| ||
| 33 | L | 85.8 | Confident | 76.5 | Confident | 144 Ų | 144 | 110 Ų | 110 | 75% | 0.754 | 59% | 0.587 | S | S | * | * | trans | -103.1 | 118.4 | 172.8 | 177.2 | 65.6 | 0 | 0 | 0 | 108.7 | I35 Y46 | L33-I35 HydrophobicContact CG-CG1 4.39Å; L33-Y46 HydrophobicContact CD2-CD1 4.37Å | ||
| 34 | K | 88.2 | Confident | 78.2 | Confident | 166 Ų | 166 | 105.6 Ų | 105.6 | 72% | 0.722 | 58% | 0.577 | S | S | * | * | trans | -112.5 | 111.9 | 176.4 | -171.7 | 172.7 | -176.5 | 173.3 | 0 | 110.6 | ||||
| 35 | I | 88.2 | Confident | 80.5 | Confident | 56 Ų | 56 | 102.6 Ų | 102.6 | 29% | 0.287 | 56% | 0.564 | S | S | . | * | trans | -93.4 | 117.4 | 172.4 | -52.2 | 174 | 0 | 0 | 0 | 107.4 | L33 T38 Y46 L65 | L33-I35 HydrophobicContact CG-CG1 4.39Å; I35-T38 HydrophobicContact CB-CG2 3.98Å; I35-T38 HydrophobicContact CG2-CG2 3.69Å; I35-Y46 HydrophobicContact CD1-CE1 3.82Å; I35-L65 HydrophobicContact CD1-CD2 3.96Å | ||
| 36 | R | 89.5 | Confident | 82.2 | Confident | 95 Ų | 95 | 103.5 Ų | 103.5 | 36% | 0.358 | 56% | 0.555 | S | S | . | * | S | Bend | trans | -90.3 | 152.2 | 177.1 | -58.8 | -175.3 | -170.2 | -148 | 6.6 | 109.8 | Y14 T38 | Y14-R36 PolarHBondContact OH-NH1 3.39Å; R36-T38 PolarHBondContact O-N 3.36Å |
| 37 | N | 88.3 | Confident | 83.8 | Confident | 157 Ų | 157 | 108.4 Ų | 108.4 | 84% | 0.84 | 56% | 0.564 | S | S | * | * | S | Bend | trans | 50.5 | 52.4 | 177.8 | -58.2 | -23 | 0 | 0 | 0 | 113 | T39 | N37-T39 PolarHBondContact O-N 3.4Š|
| 38 | T | 88.1 | Confident | 85.2 | Confident | 69 Ų | 69 | 104.2 Ų | 104.2 | 42% | 0.423 | 55% | 0.547 | S | S | . | . | trans | -61.7 | 126 | -179 | 38.6 | 0 | 0 | 0 | 0 | 112 | I35 R36 N42 | I35-T38 HydrophobicContact CB-CG2 3.98Å; I35-T38 HydrophobicContact CG2-CG2 3.69Å; R36-T38 PolarHBondContact O-N 3.36Å; T38-N42 HydrophobicContact CG2-CB 4.36Å | ||
| 39 | T | 89.3 | Confident | 86.5 | Confident | 68 Ų | 68 | 99.1 Ų | 99.1 | 42% | 0.417 | 53% | 0.528 | S | S | . | . | trans | -108.2 | 171.6 | 173.6 | 67.1 | 0 | 0 | 0 | 0 | 110.2 | N37 C41 N42 V67 | N37-T39 PolarHBondContact O-N 3.4Å; T39-C41 PolarHBondContact O-N 3.46Å; T39-C41 VanDerWaalsContact O-N 3.09Å; T39-C41 PolarHBondContact OG1-N 2.81Å; T39-N42 PolarHBondContact N-OD1 3.09Å; T39-N42 WeakPolarHBondContact O-CB 3.42Å; T39-N42 PolarHBondContact O-N 2.95Å; T39-N42 PolarHBondContact O-OD1 2.67Å; T39-N42 PolarHBondContact OG1-OD1 2.79Å; T39-N42 VanDerWaalsContact OG1-OD1 3.07Å; T39-V67 WeakPolarHBondContact O-CG2 3.46Å | ||
| 40 | S | 86.7 | Confident | 87.5 | Confident | 52 Ų | 52 | 96.6 Ų | 96.6 | 36% | 0.364 | 53% | 0.525 | S | S | . | . | G | 310 helix | trans | -52.6 | -32.8 | 174 | 59.2 | 0 | 0 | 0 | 0 | 112.9 | N42 S43 | S40-N42 PolarHBondContact O-N 3.26Å; S40-S43 VanDerWaalsContact O-CB 3.29Å; S40-S43 WeakPolarHBondContact O-CB 3.45Å; S40-S43 PolarHBondContact O-N 3.21Å; S40-S43 VanDerWaalsContact O-N 3.07Å; S40-S43 PolarHBondContact O-OG 3.07Å; S40-S43 VanDerWaalsContact O-OG 3.13Å |
| 41 | C | 87.5 | Confident | 88.1 | Confident | 108 Ų | 108 | 97.7 Ų | 97.7 | 73% | 0.73 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -67.1 | -18 | 179.4 | -57.8 | 0 | 0 | 0 | 0 | 113.8 | T39 S43 | T39-C41 PolarHBondContact O-N 3.46Å; T39-C41 VanDerWaalsContact O-N 3.09Å; T39-C41 PolarHBondContact OG1-N 2.81Å; C41-S43 VanDerWaalsContact C-N 3.3Å |
| 42 | N | 89.4 | Confident | 88.2 | Confident | 45 Ų | 45 | 93.2 Ų | 93.2 | 24% | 0.241 | 51% | 0.507 | C | S | . | . | G | 310 helix | trans | -82.6 | -10.7 | 175 | -58.9 | 109.2 | 0 | 0 | 0 | 112.3 | T38 T39 S40 Y46 L65 | T38-N42 HydrophobicContact CG2-CB 4.36Å; T39-N42 PolarHBondContact N-OD1 3.09Å; T39-N42 WeakPolarHBondContact O-CB 3.42Å; T39-N42 PolarHBondContact O-N 2.95Å; T39-N42 PolarHBondContact O-OD1 2.67Å; T39-N42 PolarHBondContact OG1-OD1 2.79Å; T39-N42 VanDerWaalsContact OG1-OD1 3.07Å; S40-N42 PolarHBondContact O-N 3.26Å; N42-Y46 WeakPolarHBondContact O-CE2 3.33Å; N42-Y46 PolarHBondContact O-OH 3.41Å; N42-L65 WeakPolarHBondContact O-CD2 3.46Å |
| 43 | S | 92.1 | Very high | 88 | Confident | 48 Ų | 48 | 94 Ų | 94 | 34% | 0.336 | 51% | 0.509 | S | S | . | . | trans | -65.4 | 140.9 | 174.7 | -56.5 | 0 | 0 | 0 | 0 | 110.6 | S40 C41 L65 V67 | S40-S43 VanDerWaalsContact O-CB 3.29Å; S40-S43 WeakPolarHBondContact O-CB 3.45Å; S40-S43 PolarHBondContact O-N 3.21Å; S40-S43 VanDerWaalsContact O-N 3.07Å; S40-S43 PolarHBondContact O-OG 3.07Å; S40-S43 VanDerWaalsContact O-OG 3.13Å; C41-S43 VanDerWaalsContact C-N 3.3Å; S43-L65 CarbonylContact C-O 3.53Å; S43-L65 VanDerWaalsContact CA-O 3.22Å; S43-L65 WeakPolarHBondContact CA-O 3.18Å; S43-L65 WeakPolarHBondContact CB-O 3.32Å; S43-V67 WeakPolarHBondContact OG-CB 3.37Å; S43-V67 PolarHBondContact OG-N 3.17Å | ||
| 44 | G | 92.5 | Very high | 87.6 | Confident | 31 Ų | 31 | 93.9 Ų | 93.9 | 32% | 0.32 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 158 | -174 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y46 L65 | G44-Y46 WeakPolarHBondContact O-CD2 3.38Å; G44-L65 PolarHBondContact N-O 2.96Å; G44-L65 PolarHBondContact O-N 2.8Å |
| 45 | T | 95.7 | Very high | 86.8 | Confident | 98 Ų | 98 | 87.5 Ų | 87.5 | 60% | 0.601 | 49% | 0.49 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 115.3 | 178.4 | -56.7 | 0 | 0 | 0 | 0 | 109.8 | K62 | T45-K62 HydrophobicContact CG2-CB 4.27Å; T45-K62 HydrophobicContact CG2-CD 4.33Å; T45-K62 HydrophobicContact CG2-CG 4.47Å |
| 46 | Y | 93.2 | Very high | 85.7 | Confident | 78 Ų | 78 | 92.6 Ų | 92.6 | 31% | 0.306 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 145 | 175.7 | -70 | -102 | 0 | 0 | 0 | 109.6 | L33 I35 N42 G44 K62 V63 L65 | L33-Y46 HydrophobicContact CD2-CD1 4.37Å; I35-Y46 HydrophobicContact CD1-CE1 3.82Å; N42-Y46 WeakPolarHBondContact O-CE2 3.33Å; N42-Y46 PolarHBondContact O-OH 3.41Å; G44-Y46 WeakPolarHBondContact O-CD2 3.38Å; Y46-K62 CarbonylContact O-C 3.54Å; Y46-K62 VanDerWaalsContact O-CA 3.28Å; Y46-K62 WeakPolarHBondContact O-CA 3.42Å; Y46-V63 PolarHBondContact N-O 3.35Å; Y46-V63 PolarHBondContact O-N 2.85Å; Y46-L65 HydrophobicContact CD2-CB 3.74Å; Y46-L65 HydrophobicContact CD2-CD2 4.38Å; Y46-L65 HydrophobicContact CE2-CB 3.58Å; Y46-L65 HydrophobicContact CE2-CD2 3.63Å; Y46-L65 HydrophobicContact CE2-CG 4.22Å |
| 47 | R | 92.1 | Very high | 84.7 | Confident | 180 Ų | 180 | 97.1 Ų | 97.1 | 68% | 0.679 | 53% | 0.53 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 122.8 | 175.6 | -175.3 | 170.7 | 62.9 | -113.5 | 4.9 | 108.9 | S60 G61 | R47-S60 WeakPolarHBondContact CD-OG 3.46Å; R47-S60 VanDerWaalsContact CG-OG 3.25Å; R47-S60 WeakPolarHBondContact CG-OG 3.29Å; R47-G61 CarbonylContact C-O 3.57Å; R47-G61 WeakPolarHBondContact CA-O 3.25Å |
| 48 | C | 87.4 | Confident | 84.4 | Confident | 79 Ų | 79 | 94 Ų | 94 | 53% | 0.534 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 129.3 | 168.1 | -177.4 | 0 | 0 | 0 | 0 | 107.6 | S60 G61 | C48-S60 CarbonylContact O-C 3.5Å; C48-S60 WeakPolarHBondContact O-CA 3.39Å; C48-S60 PolarHBondContact O-OG 2.78Å; C48-G61 PolarHBondContact N-O 2.86Å; C48-G61 PolarHBondContact O-N 2.86Å |
| 49 | T | 86.7 | Confident | 84.2 | Confident | 74 Ų | 74 | 96.6 Ų | 96.6 | 45% | 0.454 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 123.4 | 177.4 | -56.1 | 0 | 0 | 0 | 0 | 108.4 | L59 | T49-L59 CarbonylContact C-O 3.49Å; T49-L59 VanDerWaalsContact CA-O 3.32Å; T49-L59 WeakPolarHBondContact CA-O 3.34Å |
| 50 | L | 85.3 | Confident | 84.2 | Confident | 95 Ų | 95 | 96.9 Ų | 96.9 | 50% | 0.497 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 125.7 | 168.5 | -64.1 | 173 | 0 | 0 | 0 | 107.3 | N58 L59 | L50-N58 WeakPolarHBondContact O-CA 3.22Å; L50-L59 HydrophobicContact CB-CB 4.35Å; L50-L59 PolarHBondContact N-O 2.83Å; L50-L59 PolarHBondContact O-N 3.47Å |
| 51 | Q | 84.4 | Confident | 84.3 | Confident | 143 Ų | 143 | 96.1 Ų | 96.1 | 67% | 0.668 | 53% | 0.529 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 124.7 | 179.6 | 176.8 | 162.3 | 61.2 | 0 | 0 | 108.3 | N58 | Q51-N58 WeakPolarHBondContact CG-OD1 3.49Å; Q51-N58 PolarHBondContact NE2-OD1 2.91Å |
| 52 | D | 79.9 | Confident | 84.7 | Confident | 57 Ų | 57 | 98.7 Ų | 98.7 | 31% | 0.305 | 53% | 0.528 | S | S | . | . | trans | -64.2 | 142.7 | 169.9 | -163.7 | -59 | 0 | 0 | 0 | 109.7 | D54 G55 R57 | D52-D54 PolarHBondContact O-N 3.14Å; D52-D54 VanDerWaalsContact O-N 3.14Å; D52-D54 PolarHBondContact OD1-N 3.25Å; D52-G55 WeakPolarHBondContact O-CA 3.28Å; D52-G55 PolarHBondContact O-N 3.01Å; D52-R57 HydrophobicContact CB-CB 4.2Å; D52-R57 PolarHBondContact N-O 3.13Å | ||
| 53 | P | 76.9 | Confident | 84.8 | Confident | 131 Ų | 131 | 101 Ų | 101 | 85% | 0.851 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | -33.1 | 176.1 | 11.4 | -26.2 | 0 | 0 | 0 | 114.6 | G55 | P53-G55 VanDerWaalsContact C-N 3.28Å; P53-G55 PolarHBondContact O-N 3.14Å |
| 54 | D | 78.8 | Confident | 85 | Confident | 141 Ų | 141 | 104.4 Ų | 104.4 | 75% | 0.754 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | 3.1 | 175.8 | -73.9 | -36.5 | 0 | 0 | 0 | 113.5 | D52 Q56 | D52-D54 PolarHBondContact O-N 3.14Å; D52-D54 VanDerWaalsContact O-N 3.14Å; D52-D54 PolarHBondContact OD1-N 3.25Å; D54-Q56 HydrophobicContact CB-CG 4.14Å; D54-Q56 PolarHBondContact O-N 2.64Å |
| 55 | G | 70.6 | Confident | 85 | Confident | 32 Ų | 32 | 105.6 Ų | 105.6 | 33% | 0.33 | 56% | 0.556 | S | S | . | * | S | Bend | trans | 69.2 | -2.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | D52 P53 R57 N58 | D52-G55 WeakPolarHBondContact O-CA 3.28Å; D52-G55 PolarHBondContact O-N 3.01Å; P53-G55 VanDerWaalsContact C-N 3.28Å; P53-G55 PolarHBondContact O-N 3.14Å; G55-R57 PolarHBondContact O-N 3.02Å; G55-N58 PolarHBondContact O-ND2 3.07Å |
| 56 | Q | 66.1 | Low | 84.8 | Confident | 163 Ų | 163 | 110.7 Ų | 110.7 | 76% | 0.762 | 56% | 0.564 | S | S | * | * | trans | -70.3 | -29.8 | -172.2 | -71.7 | -84.4 | 18.6 | 0 | 0 | 113.5 | D54 | D54-Q56 HydrophobicContact CB-CG 4.14Å; D54-Q56 PolarHBondContact O-N 2.64Å | ||
| 57 | R | 67 | Low | 84.7 | Confident | 191 Ų | 191 | 108.5 Ų | 108.5 | 72% | 0.721 | 56% | 0.559 | S | S | * | * | trans | -127.2 | 109.8 | -175.6 | -64.2 | 178.9 | -177.8 | 168.4 | 1.7 | 109.9 | D52 G55 | D52-R57 HydrophobicContact CB-CB 4.2Å; D52-R57 PolarHBondContact N-O 3.13Å; G55-R57 PolarHBondContact O-N 3.02Å | ||
| 58 | N | 82.2 | Confident | 84.5 | Confident | 91 Ų | 91 | 106 Ų | 106 | 49% | 0.487 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.4 | 116.2 | 177 | -62 | -53.2 | 0 | 0 | 0 | 109.2 | L50 Q51 G55 | L50-N58 WeakPolarHBondContact O-CA 3.22Å; Q51-N58 WeakPolarHBondContact CG-OD1 3.49Å; Q51-N58 PolarHBondContact NE2-OD1 2.91Å; G55-N58 PolarHBondContact O-ND2 3.07Å |
| 59 | L | 84.7 | Confident | 84.3 | Confident | 123 Ų | 123 | 106.2 Ų | 106.2 | 64% | 0.644 | 58% | 0.579 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.3 | 127.6 | 171.4 | -66.2 | 170.9 | 0 | 0 | 0 | 108.4 | T49 L50 | T49-L59 CarbonylContact C-O 3.49Å; T49-L59 VanDerWaalsContact CA-O 3.32Å; T49-L59 WeakPolarHBondContact CA-O 3.34Å; L50-L59 HydrophobicContact CB-CB 4.35Å; L50-L59 PolarHBondContact N-O 2.83Å; L50-L59 PolarHBondContact O-N 3.47Å |
| 60 | S | 89 | Confident | 83.8 | Confident | 74 Ų | 74 | 105 Ų | 105 | 52% | 0.517 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -130.6 | 130.8 | 179.6 | 177.9 | 0 | 0 | 0 | 0 | 111.7 | R47 C48 | R47-S60 WeakPolarHBondContact CD-OG 3.46Å; R47-S60 VanDerWaalsContact CG-OG 3.25Å; R47-S60 WeakPolarHBondContact CG-OG 3.29Å; C48-S60 CarbonylContact O-C 3.5Å; C48-S60 WeakPolarHBondContact O-CA 3.39Å; C48-S60 PolarHBondContact O-OG 2.78Å |
| 61 | G | 89.8 | Confident | 83.3 | Confident | 37 Ų | 37 | 106.4 Ų | 106.4 | 38% | 0.381 | 59% | 0.588 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.7 | 150.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | R47 C48 | R47-G61 CarbonylContact C-O 3.57Å; R47-G61 WeakPolarHBondContact CA-O 3.25Å; C48-G61 PolarHBondContact N-O 2.86Å; C48-G61 PolarHBondContact O-N 2.86Å |
| 62 | K | 94.5 | Very high | 82.2 | Confident | 161 Ų | 161 | 103.6 Ų | 103.6 | 70% | 0.7 | 59% | 0.589 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.6 | 139.1 | 172.1 | -68.3 | -179.6 | -177.7 | 175.1 | 0 | 109.9 | T45 Y46 | T45-K62 HydrophobicContact CG2-CB 4.27Å; T45-K62 HydrophobicContact CG2-CD 4.33Å; T45-K62 HydrophobicContact CG2-CG 4.47Å; Y46-K62 CarbonylContact O-C 3.54Å; Y46-K62 VanDerWaalsContact O-CA 3.28Å; Y46-K62 WeakPolarHBondContact O-CA 3.42Å |
| 63 | V | 93.2 | Very high | 81.2 | Confident | 95 Ų | 95 | 106.2 Ų | 106.2 | 58% | 0.576 | 60% | 0.599 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -129.3 | 134.3 | 176.3 | -179.6 | 0 | 0 | 0 | 0 | 108.4 | Y46 | Y46-V63 PolarHBondContact N-O 3.35Å; Y46-V63 PolarHBondContact O-N 2.85Å |
| 64 | I | 95.2 | Very high | 80.1 | Confident | 119 Ų | 119 | 109.8 Ų | 109.8 | 61% | 0.61 | 60% | 0.596 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.9 | 112.7 | 175.5 | -57.1 | 174.7 | 0 | 0 | 0 | 107.9 | R66 | I64-R66 HydrophobicContact CG2-CG 4.29Å |
| 65 | L | 92.9 | Very high | 78.9 | Confident | 56 Ų | 56 | 108.7 Ų | 108.7 | 29% | 0.293 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.4 | 120.8 | 173.9 | -178.8 | 59.8 | 0 | 0 | 0 | 109.2 | I35 N42 S43 G44 Y46 | I35-L65 HydrophobicContact CD1-CD2 3.96Å; N42-L65 WeakPolarHBondContact O-CD2 3.46Å; S43-L65 CarbonylContact C-O 3.53Å; S43-L65 VanDerWaalsContact CA-O 3.22Å; S43-L65 WeakPolarHBondContact CA-O 3.18Å; S43-L65 WeakPolarHBondContact CB-O 3.32Å; G44-L65 PolarHBondContact N-O 2.96Å; G44-L65 PolarHBondContact O-N 2.8Å; Y46-L65 HydrophobicContact CD2-CB 3.74Å; Y46-L65 HydrophobicContact CD2-CD2 4.38Å; Y46-L65 HydrophobicContact CE2-CB 3.58Å; Y46-L65 HydrophobicContact CE2-CD2 3.63Å; Y46-L65 HydrophobicContact CE2-CG 4.22Å |
| 66 | R | 92.1 | Very high | 78.1 | Confident | 204 Ų | 204 | 114.2 Ų | 114.2 | 77% | 0.77 | 60% | 0.601 | S | S | * | * | trans | -115.1 | 123.2 | 172.1 | -72 | -179.6 | 177.6 | -96.5 | 1.5 | 109.4 | I64 | I64-R66 HydrophobicContact CG2-CG 4.29Š| ||
| 67 | V | 90.6 | Very high | 77.5 | Confident | 33 Ų | 33 | 113 Ų | 113 | 20% | 0.2 | 60% | 0.595 | C | S | . | * | trans | -94.6 | 119.2 | 173.1 | -179.9 | 0 | 0 | 0 | 0 | 108.7 | T39 S43 | T39-V67 WeakPolarHBondContact O-CG2 3.46Å; S43-V67 WeakPolarHBondContact OG-CB 3.37Å; S43-V67 PolarHBondContact OG-N 3.17Å | ||
| 68 | T | 87.9 | Confident | 77 | Confident | 128 Ų | 128 | 106.1 Ų | 106.1 | 79% | 0.785 | 58% | 0.575 | S | S | * | * | trans | -99.9 | 165.3 | 179 | 55.8 | 0 | 0 | 0 | 0 | 110.9 | C70 | T68-C70 PolarHBondContact O-N 3.44Š| ||
| 69 | G | 82.9 | Confident | 75.9 | Confident | 82 Ų | 82 | 108.5 Ų | 108.5 | 85% | 0.845 | 58% | 0.581 | S | S | * | * | S | Bend | trans | 76.4 | -1.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 70 | C | 76.6 | Confident | 74.7 | Confident | 50 Ų | 50 | 110.5 Ų | 110.5 | 34% | 0.338 | 59% | 0.585 | S | S | . | * | S | Bend | trans | -72.6 | 132.4 | 162.7 | -68.6 | 0 | 0 | 0 | 0 | 108.3 | T68 A72 | T68-C70 PolarHBondContact O-N 3.44Å; C70-A72 PolarHBondContact O-N 3.3Å |
| 71 | P | 74.3 | Confident | 73.6 | Confident | 124 Ų | 124 | 114 Ų | 114 | 81% | 0.805 | 59% | 0.591 | S | S | * | * | trans | -54.4 | 120.8 | 169.4 | 22.7 | -30.4 | 0 | 0 | 0 | 106.6 | Q73 | P71-Q73 PolarHBondContact O-N 3.01Å; P71-Q73 VanDerWaalsContact O-N 3.14Å | ||
| 72 | A | 61 | Low | 72.8 | Confident | 83 Ų | 83 | 118.4 Ų | 118.4 | 69% | 0.686 | 60% | 0.597 | S | S | * | * | trans | -45.9 | 128.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | C70 R74 | C70-A72 PolarHBondContact O-N 3.3Å; A72-R74 PolarHBondContact O-N 3.47Å | ||
| 73 | Q | 58.3 | Low | 72.1 | Confident | 113 Ų | 113 | 119.6 Ų | 119.6 | 53% | 0.528 | 60% | 0.597 | S | S | . | * | trans | -61.3 | 86.8 | 169.4 | -101.4 | -143.3 | 23.8 | 0 | 0 | 107.1 | P71 K75 E76 | P71-Q73 PolarHBondContact O-N 3.01Å; P71-Q73 VanDerWaalsContact O-N 3.14Å; Q73-K75 HydrophobicContact CB-CB 4.2Å; Q73-K75 HydrophobicContact CG-CB 4.34Å; Q73-K75 HydrophobicContact CG-CD 4.45Å; Q73-K75 PolarHBondContact O-N 2.85Å; Q73-E76 PolarHBondContact O-N 3.01Å | ||
| 74 | R | 54.4 | Low | 71.7 | Confident | 205 Ų | 205 | 118.3 Ų | 118.3 | 77% | 0.774 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.3 | -16.4 | 164.2 | -129 | 179.7 | -173.9 | 171.2 | 1.9 | 111.6 | A72 T78 | A72-R74 PolarHBondContact O-N 3.47Å; R74-T78 WeakPolarHBondContact O-CG2 3.19Å; R74-T78 PolarHBondContact O-N 2.85Å; R74-T78 PolarHBondContact O-OG1 2.97Å |
| 75 | K | 53.7 | Low | 71.4 | Confident | 118 Ų | 118 | 117.3 Ų | 117.3 | 51% | 0.513 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -55.7 | -45.6 | 175.9 | -80.2 | -175.7 | 179.2 | -178.6 | 0 | 113.6 | Q73 E77 T78 F79 | Q73-K75 HydrophobicContact CB-CB 4.2Å; Q73-K75 HydrophobicContact CG-CB 4.34Å; Q73-K75 HydrophobicContact CG-CD 4.45Å; Q73-K75 PolarHBondContact O-N 2.85Å; K75-E77 VanDerWaalsContact C-N 3.32Å; K75-E77 PolarHBondContact O-N 3.21Å; K75-T78 WeakPolarHBondContact CA-OG1 2.94Å; K75-T78 PolarHBondContact O-N 3.48Å; K75-T78 PolarHBondContact O-OG1 3.24Å; K75-F79 HydrophobicContact CB-CD2 4.08Å; K75-F79 HydrophobicContact CB-CE2 3.74Å; K75-F79 HydrophobicContact CD-CE2 4.36Å; K75-F79 HydrophobicContact CG-CE2 4.17Å; K75-F79 WeakPolarHBondContact O-CD2 3.44Å; K75-F79 WeakPolarHBondContact O-CG 3.45Å; K75-F79 PolarHBondContact O-N 3.21Å |
| 76 | E | 53.6 | Low | 71.2 | Confident | 148 Ų | 148 | 119.9 Ų | 119.9 | 69% | 0.692 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -69.4 | -31.1 | -172.1 | -157.3 | 161.7 | -169.8 | 0 | 0 | 113.1 | Q73 | Q73-E76 PolarHBondContact O-N 3.01Å |
| 77 | E | 54.4 | Low | 71.3 | Confident | 137 Ų | 137 | 114.3 Ų | 114.3 | 64% | 0.64 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -75.5 | -41.5 | 174 | -25 | -172.7 | -149.3 | 0 | 0 | 110.9 | K75 K80 K81 | K75-E77 VanDerWaalsContact C-N 3.32Å; K75-E77 PolarHBondContact O-N 3.21Å; E77-K80 PolarHBondContact O-N 2.85Å; E77-K81 WeakPolarHBondContact O-CB 3.37Å; E77-K81 PolarHBondContact O-N 3.21Å |
| 78 | T | 56.1 | Low | 71.4 | Confident | 47 Ų | 47 | 118.3 Ų | 118.3 | 29% | 0.288 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -68.1 | -36.4 | 177.7 | 51.4 | 0 | 0 | 0 | 0 | 113.1 | R74 K75 K80 K81 Y82 | R74-T78 WeakPolarHBondContact O-CG2 3.19Å; R74-T78 PolarHBondContact O-N 2.85Å; R74-T78 PolarHBondContact O-OG1 2.97Å; K75-T78 WeakPolarHBondContact CA-OG1 2.94Å; K75-T78 PolarHBondContact O-N 3.48Å; K75-T78 PolarHBondContact O-OG1 3.24Å; T78-K80 PolarHBondContact O-N 3.04Å; T78-K81 WeakPolarHBondContact O-CB 3.43Å; T78-K81 PolarHBondContact O-N 3.34Å; T78-K81 VanDerWaalsContact O-N 3.17Å; T78-Y82 WeakPolarHBondContact O-CD2 3.41Å; T78-Y82 PolarHBondContact O-N 3.46Å |
| 79 | F | 57.9 | Low | 71.7 | Confident | 142 Ų | 142 | 117 Ų | 117 | 62% | 0.623 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -65.2 | -38.3 | 177.8 | -76.5 | -61.6 | 0 | 0 | 0 | 112.1 | K75 R83 | K75-F79 HydrophobicContact CB-CD2 4.08Å; K75-F79 HydrophobicContact CB-CE2 3.74Å; K75-F79 HydrophobicContact CD-CE2 4.36Å; K75-F79 HydrophobicContact CG-CE2 4.17Å; K75-F79 WeakPolarHBondContact O-CD2 3.44Å; K75-F79 WeakPolarHBondContact O-CG 3.45Å; K75-F79 PolarHBondContact O-N 3.21Å; F79-R83 PolarHBondContact O-N 3.17Å |
| 80 | K | 61 | Low | 72.3 | Confident | 165 Ų | 165 | 118.1 Ų | 118.1 | 72% | 0.717 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -67.1 | -38.6 | 171.5 | -80.2 | -177.7 | 176.1 | 176.5 | 0 | 112.2 | E77 T78 R83 | E77-K80 PolarHBondContact O-N 2.85Å; T78-K80 PolarHBondContact O-N 3.04Å; K80-R83 WeakPolarHBondContact O-CB 2.97Å; K80-R83 PolarHBondContact O-N 3.22Å |
| 81 | K | 65.6 | Low | 73.2 | Confident | 147 Ų | 147 | 118.2 Ų | 118.2 | 64% | 0.639 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -61.5 | -48.9 | 179 | -172.1 | 176.9 | 176.4 | -179 | 0 | 112.1 | E77 T78 R83 A84 | E77-K81 WeakPolarHBondContact O-CB 3.37Å; E77-K81 PolarHBondContact O-N 3.21Å; T78-K81 WeakPolarHBondContact O-CB 3.43Å; T78-K81 PolarHBondContact O-N 3.34Å; T78-K81 VanDerWaalsContact O-N 3.17Å; K81-R83 VanDerWaalsContact C-N 3.29Å; K81-R83 PolarHBondContact O-N 3.44Å; K81-A84 PolarHBondContact O-N 2.88Å |
| 82 | Y | 71.9 | Confident | 74.3 | Confident | 130 Ų | 130 | 117.3 Ų | 117.3 | 51% | 0.51 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -70.3 | -23.9 | 178.5 | -64.6 | -62.7 | 0 | 0 | 0 | 113.1 | T78 A84 E85 I86 | T78-Y82 WeakPolarHBondContact O-CD2 3.41Å; T78-Y82 PolarHBondContact O-N 3.46Å; Y82-A84 PolarHBondContact O-N 2.87Å; Y82-E85 PolarHBondContact O-N 3.46Å; Y82-I86 WeakPolarHBondContact O-CB 3.32Å; Y82-I86 WeakPolarHBondContact O-CD1 3.36Å; Y82-I86 WeakPolarHBondContact O-CG1 3.16Å; Y82-I86 PolarHBondContact O-N 2.92Å |
| 83 | R | 80.3 | Confident | 76.1 | Confident | 186 Ų | 186 | 117.2 Ų | 117.2 | 70% | 0.702 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -62.5 | -42.5 | 176.7 | -167.6 | -179.4 | -172.7 | -95.3 | 1.8 | 112.2 | F79 K80 K81 V87 | F79-R83 PolarHBondContact O-N 3.17Å; K80-R83 WeakPolarHBondContact O-CB 2.97Å; K80-R83 PolarHBondContact O-N 3.22Å; K81-R83 VanDerWaalsContact C-N 3.29Å; K81-R83 PolarHBondContact O-N 3.44Å; R83-V87 WeakPolarHBondContact O-CG2 3.47Å; R83-V87 PolarHBondContact O-N 3.37Å; R83-V87 VanDerWaalsContact O-N 3.15Å |
| 84 | A | 85.3 | Confident | 78 | Confident | 67 Ų | 67 | 116.3 Ų | 116.3 | 55% | 0.554 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.8 | -41.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | K81 Y82 V87 L88 | K81-A84 PolarHBondContact O-N 2.88Å; Y82-A84 PolarHBondContact O-N 2.87Å; A84-V87 PolarHBondContact O-N 3.39Å; A84-L88 WeakPolarHBondContact O-CB 3.43Å; A84-L88 PolarHBondContact O-N 3.48Å |
| 85 | E | 87.8 | Confident | 80 | Confident | 99 Ų | 99 | 112.5 Ų | 112.5 | 46% | 0.463 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.3 | -44.9 | 178.1 | -170.1 | 173.3 | -176.7 | 0 | 0 | 112 | Y82 V87 L88 L89 | Y82-E85 PolarHBondContact O-N 3.46Å; E85-V87 VanDerWaalsContact C-N 3.34Å; E85-V87 PolarHBondContact O-N 3.38Å; E85-L88 PolarHBondContact O-N 3.31Å; E85-L89 HydrophobicContact CG-CD1 4.42Å; E85-L89 VanDerWaalsContact O-CG 3.32Å; E85-L89 WeakPolarHBondContact O-CG 3.39Å; E85-L89 PolarHBondContact O-N 3.15Å |
| 86 | I | 90.5 | Very high | 82.1 | Confident | 109 Ų | 109 | 114.1 Ų | 114.1 | 56% | 0.559 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62.2 | -42.1 | 176 | -68.6 | 164.7 | 0 | 0 | 0 | 111 | Y82 L88 L89 L90 | Y82-I86 WeakPolarHBondContact O-CB 3.32Å; Y82-I86 WeakPolarHBondContact O-CD1 3.36Å; Y82-I86 WeakPolarHBondContact O-CG1 3.16Å; Y82-I86 PolarHBondContact O-N 2.92Å; I86-L88 VanDerWaalsContact C-N 3.34Å; I86-L89 PolarHBondContact O-N 3.44Å; I86-L90 WeakPolarHBondContact O-CB 3.33Å; I86-L90 PolarHBondContact O-N 2.93Å |
| 87 | V | 92.6 | Very high | 84.1 | Confident | 87 Ų | 87 | 111.5 Ų | 111.5 | 53% | 0.527 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 176.6 | 170 | 0 | 0 | 0 | 0 | 111 | R83 A84 E85 L90 A91 | R83-V87 WeakPolarHBondContact O-CG2 3.47Å; R83-V87 PolarHBondContact O-N 3.37Å; R83-V87 VanDerWaalsContact O-N 3.15Å; A84-V87 PolarHBondContact O-N 3.39Å; E85-V87 VanDerWaalsContact C-N 3.34Å; E85-V87 PolarHBondContact O-N 3.38Å; V87-L90 PolarHBondContact O-N 3.36Å; V87-A91 WeakPolarHBondContact O-CB 3.2Å; V87-A91 PolarHBondContact O-N 3.28Å |
| 88 | L | 92.5 | Very high | 86.1 | Confident | 118 Ų | 118 | 108.4 Ų | 108.4 | 62% | 0.618 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.6 | -45.8 | 177.2 | -178 | 64 | 0 | 0 | 0 | 111.8 | A84 E85 I86 L90 A91 L92 | A84-L88 WeakPolarHBondContact O-CB 3.43Å; A84-L88 PolarHBondContact O-N 3.48Å; E85-L88 PolarHBondContact O-N 3.31Å; I86-L88 VanDerWaalsContact C-N 3.34Å; L88-L90 PolarHBondContact O-N 3.03Å; L88-A91 PolarHBondContact O-N 2.91Å; L88-L92 WeakPolarHBondContact O-CB 3.33Å; L88-L92 PolarHBondContact O-N 3.03Å |
| 89 | L | 94.9 | Very high | 87.9 | Confident | 101 Ų | 101 | 109.5 Ų | 109.5 | 53% | 0.529 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 176.5 | -70.8 | 175.2 | 0 | 0 | 0 | 111.3 | E85 I86 L92 V93 | E85-L89 HydrophobicContact CG-CD1 4.42Å; E85-L89 VanDerWaalsContact O-CG 3.32Å; E85-L89 WeakPolarHBondContact O-CG 3.39Å; E85-L89 PolarHBondContact O-N 3.15Å; I86-L89 PolarHBondContact O-N 3.44Å; L89-L92 PolarHBondContact O-N 3.5Å; L89-V93 WeakPolarHBondContact O-CG2 3.33Å; L89-V93 PolarHBondContact O-N 3.47Å |
| 90 | L | 96 | Very high | 89.6 | Confident | 104 Ų | 104 | 106.1 Ų | 106.1 | 55% | 0.545 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 176.8 | -176.9 | 63.8 | 0 | 0 | 0 | 111.6 | I86 V87 L88 L92 V93 I94 | I86-L90 WeakPolarHBondContact O-CB 3.33Å; I86-L90 PolarHBondContact O-N 2.93Å; V87-L90 PolarHBondContact O-N 3.36Å; L88-L90 PolarHBondContact O-N 3.03Å; L90-L92 VanDerWaalsContact C-N 3.32Å; L90-L92 PolarHBondContact O-N 3.45Å; L90-V93 PolarHBondContact O-N 2.9Å; L90-I94 HydrophobicContact CD1-CD1 4.31Å; L90-I94 HydrophobicContact CG-CD1 4.05Å; L90-I94 WeakPolarHBondContact O-CG1 3.42Å; L90-I94 PolarHBondContact O-N 3.46Å |
| 91 | A | 96.2 | Very high | 91.1 | Very high | 52 Ų | 52 | 103.3 Ų | 103.3 | 43% | 0.43 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.9 | -40.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V87 L88 I94 F95 | V87-A91 WeakPolarHBondContact O-CB 3.2Å; V87-A91 PolarHBondContact O-N 3.28Å; L88-A91 PolarHBondContact O-N 2.91Å; A91-I94 PolarHBondContact O-N 3.32Å; A91-F95 VanDerWaalsContact O-CB 3.22Å; A91-F95 WeakPolarHBondContact O-CB 3.42Å; A91-F95 PolarHBondContact O-N 2.9Å |
| 92 | L | 96.9 | Very high | 92.3 | Very high | 106 Ų | 106 | 102.9 Ų | 102.9 | 56% | 0.555 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.4 | -42.8 | 177.7 | -171.6 | 149.1 | 0 | 0 | 0 | 111.8 | L88 L89 L90 F95 Y96 | L88-L92 WeakPolarHBondContact O-CB 3.33Å; L88-L92 PolarHBondContact O-N 3.03Å; L89-L92 PolarHBondContact O-N 3.5Å; L90-L92 VanDerWaalsContact C-N 3.32Å; L90-L92 PolarHBondContact O-N 3.45Å; L92-F95 PolarHBondContact O-N 2.99Å; L92-Y96 WeakPolarHBondContact O-CB 3.47Å; L92-Y96 PolarHBondContact O-N 2.83Å |
| 93 | V | 97.8 | Very high | 93.1 | Very high | 81 Ų | 81 | 100.8 Ų | 100.8 | 49% | 0.491 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.6 | -48.9 | 175.5 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | L89 L90 F95 Y96 L97 | L89-V93 WeakPolarHBondContact O-CG2 3.33Å; L89-V93 PolarHBondContact O-N 3.47Å; L90-V93 PolarHBondContact O-N 2.9Å; V93-F95 VanDerWaalsContact C-N 3.35Å; V93-F95 PolarHBondContact O-N 3.43Å; V93-Y96 PolarHBondContact O-N 3.41Å; V93-L97 HydrophobicContact CG1-CD1 4.08Å; V93-L97 WeakPolarHBondContact O-CG 3.23Å; V93-L97 PolarHBondContact O-N 3.34Å |
| 94 | I | 97.8 | Very high | 93.3 | Very high | 94 Ų | 94 | 95.2 Ų | 95.2 | 48% | 0.482 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.7 | -46.7 | 178.3 | -66.4 | 167.5 | 0 | 0 | 0 | 110.2 | L90 A91 Y96 L97 T98 | L90-I94 HydrophobicContact CD1-CD1 4.31Å; L90-I94 HydrophobicContact CG-CD1 4.05Å; L90-I94 WeakPolarHBondContact O-CG1 3.42Å; L90-I94 PolarHBondContact O-N 3.46Å; A91-I94 PolarHBondContact O-N 3.32Å; I94-Y96 PolarHBondContact O-N 3.19Å; I94-L97 PolarHBondContact O-N 3.36Å; I94-T98 HydrophobicContact CG2-CG2 4.41Å; I94-T98 WeakPolarHBondContact O-CG2 3.45Å; I94-T98 PolarHBondContact O-N 2.86Å; I94-T98 PolarHBondContact O-OG1 2.89Å |
| 95 | F | 97.7 | Very high | 93.1 | Very high | 125 Ų | 125 | 97.1 Ų | 97.1 | 55% | 0.548 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57.8 | -47.8 | 178.2 | -179.4 | -109.5 | 0 | 0 | 0 | 111.6 | A91 L92 V93 L97 T98 L99 | A91-F95 VanDerWaalsContact O-CB 3.22Å; A91-F95 WeakPolarHBondContact O-CB 3.42Å; A91-F95 PolarHBondContact O-N 2.9Å; L92-F95 PolarHBondContact O-N 2.99Å; V93-F95 VanDerWaalsContact C-N 3.35Å; V93-F95 PolarHBondContact O-N 3.43Å; F95-L97 PolarHBondContact O-N 2.67Å; F95-T98 WeakPolarHBondContact CA-OG1 3.32Å; F95-T98 PolarHBondContact O-N 3.16Å; F95-T98 VanDerWaalsContact O-N 3.16Å; F95-T98 PolarHBondContact O-OG1 3.44Å; F95-L99 HydrophobicContact CD1-CD1 3.92Å; F95-L99 HydrophobicContact CD1-CG 4.38Å; F95-L99 HydrophobicContact CE1-CD1 3.37Å; F95-L99 HydrophobicContact CE1-CG 4.05Å; F95-L99 HydrophobicContact CE2-CD1 4.43Å; F95-L99 HydrophobicContact CE2-CD2 4.34Å; F95-L99 HydrophobicContact CE2-CG 4.3Å; F95-L99 HydrophobicContact CZ-CD1 3.66Å; F95-L99 HydrophobicContact CZ-CD2 4.13Å; F95-L99 HydrophobicContact CZ-CG 4.01Å; F95-L99 WeakPolarHBondContact O-CG 3.45Å; F95-L99 PolarHBondContact O-N 3.41Å |
| 96 | Y | 97.1 | Very high | 92.4 | Very high | 152 Ų | 152 | 97.4 Ų | 97.4 | 60% | 0.596 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.9 | -41.8 | 178.8 | -164 | -105.5 | 0 | 0 | 0 | 112.4 | L92 V93 I94 T98 L99 I100 | L92-Y96 WeakPolarHBondContact O-CB 3.47Å; L92-Y96 PolarHBondContact O-N 2.83Å; V93-Y96 PolarHBondContact O-N 3.41Å; I94-Y96 PolarHBondContact O-N 3.19Å; Y96-T98 VanDerWaalsContact C-N 3.34Å; Y96-T98 PolarHBondContact O-N 2.88Å; Y96-L99 PolarHBondContact O-N 3.4Å; Y96-I100 HydrophobicContact CD1-CD1 3.39Å; Y96-I100 HydrophobicContact CD1-CG1 4.12Å; Y96-I100 HydrophobicContact CE1-CD1 3.34Å; Y96-I100 HydrophobicContact CE1-CG1 3.97Å; Y96-I100 HydrophobicContact CG-CD1 4.38Å; Y96-I100 WeakPolarHBondContact O-CG1 3.16Å; Y96-I100 PolarHBondContact O-N 3.26Å |
| 97 | L | 97.1 | Very high | 91.3 | Very high | 93 Ų | 93 | 95 Ų | 95 | 49% | 0.487 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.1 | -42 | 173.7 | -69.7 | 172.3 | 0 | 0 | 0 | 111.8 | V93 I94 F95 I100 I101 | V93-L97 HydrophobicContact CG1-CD1 4.08Å; V93-L97 WeakPolarHBondContact O-CG 3.23Å; V93-L97 PolarHBondContact O-N 3.34Å; I94-L97 PolarHBondContact O-N 3.36Å; F95-L97 PolarHBondContact O-N 2.67Å; L97-I100 PolarHBondContact O-N 3.46Å; L97-I101 WeakPolarHBondContact O-CB 3.22Å; L97-I101 WeakPolarHBondContact O-CD1 3.5Å; L97-I101 VanDerWaalsContact O-CG1 3.23Å; L97-I101 WeakPolarHBondContact O-CG1 3.32Å; L97-I101 PolarHBondContact O-N 2.9Å |
| 98 | T | 95.2 | Very high | 90 | Very high | 71 Ų | 71 | 99.2 Ų | 99.2 | 44% | 0.436 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.7 | -40.3 | 175.9 | 61.5 | 0 | 0 | 0 | 0 | 112 | I94 F95 Y96 I101 F102 | I94-T98 HydrophobicContact CG2-CG2 4.41Å; I94-T98 WeakPolarHBondContact O-CG2 3.45Å; I94-T98 PolarHBondContact O-N 2.86Å; I94-T98 PolarHBondContact O-OG1 2.89Å; F95-T98 WeakPolarHBondContact CA-OG1 3.32Å; F95-T98 PolarHBondContact O-N 3.16Å; F95-T98 VanDerWaalsContact O-N 3.16Å; F95-T98 PolarHBondContact O-OG1 3.44Å; Y96-T98 VanDerWaalsContact C-N 3.34Å; Y96-T98 PolarHBondContact O-N 2.88Å; T98-I101 PolarHBondContact O-N 3.28Å; T98-F102 WeakPolarHBondContact O-CB 3.23Å; T98-F102 PolarHBondContact O-N 3.46Å |
| 99 | L | 94.3 | Very high | 88.5 | Confident | 71 Ų | 71 | 100.5 Ų | 100.5 | 37% | 0.372 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 174.7 | -71.2 | -176 | 0 | 0 | 0 | 111.9 | F95 Y96 F102 T103 | F95-L99 HydrophobicContact CD1-CD1 3.92Å; F95-L99 HydrophobicContact CD1-CG 4.38Å; F95-L99 HydrophobicContact CE1-CD1 3.37Å; F95-L99 HydrophobicContact CE1-CG 4.05Å; F95-L99 HydrophobicContact CE2-CD1 4.43Å; F95-L99 HydrophobicContact CE2-CD2 4.34Å; F95-L99 HydrophobicContact CE2-CG 4.3Å; F95-L99 HydrophobicContact CZ-CD1 3.66Å; F95-L99 HydrophobicContact CZ-CD2 4.13Å; F95-L99 HydrophobicContact CZ-CG 4.01Å; F95-L99 WeakPolarHBondContact O-CG 3.45Å; F95-L99 PolarHBondContact O-N 3.41Å; Y96-L99 PolarHBondContact O-N 3.4Å; L99-F102 PolarHBondContact O-N 3.18Å; L99-T103 VanDerWaalsContact O-CB 3.23Å; L99-T103 WeakPolarHBondContact O-CB 3.18Å; L99-T103 PolarHBondContact O-N 2.9Å; L99-T103 PolarHBondContact O-OG1 3.47Å |
| 100 | I | 94.3 | Very high | 86.8 | Confident | 71 Ų | 71 | 101.9 Ų | 101.9 | 36% | 0.364 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.2 | -52.3 | 174.4 | -69.2 | 162.6 | 0 | 0 | 0 | 109.7 | Y96 L97 F102 T103 C104 | Y96-I100 HydrophobicContact CD1-CD1 3.39Å; Y96-I100 HydrophobicContact CD1-CG1 4.12Å; Y96-I100 HydrophobicContact CE1-CD1 3.34Å; Y96-I100 HydrophobicContact CE1-CG1 3.97Å; Y96-I100 HydrophobicContact CG-CD1 4.38Å; Y96-I100 WeakPolarHBondContact O-CG1 3.16Å; Y96-I100 PolarHBondContact O-N 3.26Å; L97-I100 PolarHBondContact O-N 3.46Å; I100-F102 VanDerWaalsContact C-N 3.31Å; I100-F102 PolarHBondContact O-N 3.44Å; I100-T103 PolarHBondContact O-N 3.41Å; I100-C104 WeakPolarHBondContact O-CB 3.35Å; I100-C104 PolarHBondContact O-N 3.25Å; I100-C104 PolarHBondContact O-SG 3.46Å |
| 101 | I | 91.3 | Very high | 84.7 | Confident | 105 Ų | 105 | 99.6 Ų | 99.6 | 54% | 0.538 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.8 | -43.5 | -178.8 | -68.1 | 164.6 | 0 | 0 | 0 | 110.5 | L97 T98 C104 K105 | L97-I101 WeakPolarHBondContact O-CB 3.22Å; L97-I101 WeakPolarHBondContact O-CD1 3.5Å; L97-I101 VanDerWaalsContact O-CG1 3.23Å; L97-I101 WeakPolarHBondContact O-CG1 3.32Å; L97-I101 PolarHBondContact O-N 2.9Å; T98-I101 PolarHBondContact O-N 3.28Å; I101-C104 PolarHBondContact O-N 2.81Å; I101-K105 HydrophobicContact CG2-CG 4.12Å; I101-K105 WeakPolarHBondContact O-CB 3.1Å; I101-K105 WeakPolarHBondContact O-CG 3.23Å; I101-K105 PolarHBondContact O-N 2.79Å |
| 102 | F | 90.9 | Very high | 82.6 | Confident | 139 Ų | 139 | 105.2 Ų | 105.2 | 61% | 0.61 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.4 | -43.6 | 178.5 | -177.2 | -100.7 | 0 | 0 | 0 | 111.3 | T98 L99 I100 K105 F106 | T98-F102 WeakPolarHBondContact O-CB 3.23Å; T98-F102 PolarHBondContact O-N 3.46Å; L99-F102 PolarHBondContact O-N 3.18Å; I100-F102 VanDerWaalsContact C-N 3.31Å; I100-F102 PolarHBondContact O-N 3.44Å; F102-K105 PolarHBondContact O-N 3.16Å; F102-F106 WeakPolarHBondContact O-CA 3.19Å; F102-F106 WeakPolarHBondContact O-CB 3.18Å; F102-F106 PolarHBondContact O-N 2.69Å |
| 103 | T | 88.6 | Confident | 80.4 | Confident | 86 Ų | 86 | 107.9 Ų | 107.9 | 53% | 0.528 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.2 | -42.5 | 175.9 | -55.1 | 0 | 0 | 0 | 0 | 110.8 | L99 I100 F106 A107 | L99-T103 VanDerWaalsContact O-CB 3.23Å; L99-T103 WeakPolarHBondContact O-CB 3.18Å; L99-T103 PolarHBondContact O-N 2.9Å; L99-T103 PolarHBondContact O-OG1 3.47Å; I100-T103 PolarHBondContact O-N 3.41Å; T103-F106 PolarHBondContact O-N 2.78Å; T103-A107 WeakPolarHBondContact O-CB 3.32Å; T103-A107 PolarHBondContact O-N 2.77Å |
| 104 | C | 84.7 | Confident | 78.2 | Confident | 68 Ų | 68 | 108.1 Ų | 108.1 | 46% | 0.459 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.6 | -41.3 | 174.3 | -68.6 | 0 | 0 | 0 | 0 | 111.8 | I100 I101 R108 | I100-C104 WeakPolarHBondContact O-CB 3.35Å; I100-C104 PolarHBondContact O-N 3.25Å; I100-C104 PolarHBondContact O-SG 3.46Å; I101-C104 PolarHBondContact O-N 2.81Å; C104-R108 VanDerWaalsContact O-CB 3.23Å; C104-R108 WeakPolarHBondContact O-CB 3.12Å; C104-R108 WeakPolarHBondContact O-CG 3.5Å; C104-R108 PolarHBondContact O-N 3.38Å |
| 105 | K | 81.2 | Confident | 75.8 | Confident | 108 Ų | 108 | 109.4 Ų | 109.4 | 47% | 0.47 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -66.9 | -42.4 | 176.4 | -80.5 | -78.9 | -173.7 | 166.5 | 0 | 110.9 | I101 F102 R108 L109 | I101-K105 HydrophobicContact CG2-CG 4.12Å; I101-K105 WeakPolarHBondContact O-CB 3.1Å; I101-K105 WeakPolarHBondContact O-CG 3.23Å; I101-K105 PolarHBondContact O-N 2.79Å; F102-K105 PolarHBondContact O-N 3.16Å; K105-R108 CarbonylContact O-C 3.55Å; K105-R108 PolarHBondContact O-N 2.73Å; K105-L109 WeakPolarHBondContact O-CB 3.34Å; K105-L109 WeakPolarHBondContact O-CD1 3.14Å; K105-L109 WeakPolarHBondContact O-CG 3.48Å; K105-L109 PolarHBondContact O-N 3.14Å |
| 106 | F | 73.6 | Confident | 73.6 | Confident | 104 Ų | 104 | 112.7 Ų | 112.7 | 46% | 0.456 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.9 | -44.6 | 176.7 | -178.2 | -103.1 | 0 | 0 | 0 | 111 | F102 T103 R108 L109 Q110 | F102-F106 WeakPolarHBondContact O-CA 3.19Å; F102-F106 WeakPolarHBondContact O-CB 3.18Å; F102-F106 PolarHBondContact O-N 2.69Å; T103-F106 PolarHBondContact O-N 2.78Å; F106-R108 VanDerWaalsContact C-N 3.28Å; F106-R108 PolarHBondContact O-N 2.9Å; F106-L109 CarbonylContact O-C 3.53Å; F106-L109 PolarHBondContact O-N 3.35Å; F106-Q110 VanDerWaalsContact O-CB 3.27Å; F106-Q110 WeakPolarHBondContact O-CB 3.33Å; F106-Q110 PolarHBondContact O-N 3.42Å |
| 107 | A | 67.4 | Low | 71.4 | Confident | 58 Ų | 58 | 110.6 Ų | 110.6 | 48% | 0.479 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61 | -37.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | T103 S111 | T103-A107 WeakPolarHBondContact O-CB 3.32Å; T103-A107 PolarHBondContact O-N 2.77Å; A107-S111 WeakPolarHBondContact O-CB 3.27Å; A107-S111 PolarHBondContact O-N 3.14Å |
| 108 | R | 64.1 | Low | 68.8 | Low | 176 Ų | 176 | 115.5 Ų | 115.5 | 66% | 0.664 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -72.7 | -22.1 | 172.6 | -74.8 | 177.7 | 67 | -162.4 | 0.3 | 114.3 | C104 K105 F106 S111 | C104-R108 VanDerWaalsContact O-CB 3.23Å; C104-R108 WeakPolarHBondContact O-CB 3.12Å; C104-R108 WeakPolarHBondContact O-CG 3.5Å; C104-R108 PolarHBondContact O-N 3.38Å; K105-R108 CarbonylContact O-C 3.55Å; K105-R108 PolarHBondContact O-N 2.73Å; F106-R108 VanDerWaalsContact C-N 3.28Å; F106-R108 PolarHBondContact O-N 2.9Å; R108-S111 PolarHBondContact O-OG 3.16Å |
| 109 | L | 62.7 | Low | 66.5 | Low | 145 Ų | 145 | 117.3 Ų | 117.3 | 76% | 0.759 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -90.9 | -31.8 | 176.9 | -74.5 | 167.1 | 0 | 0 | 0 | 111.4 | K105 F106 | K105-L109 WeakPolarHBondContact O-CB 3.34Å; K105-L109 WeakPolarHBondContact O-CD1 3.14Å; K105-L109 WeakPolarHBondContact O-CG 3.48Å; K105-L109 PolarHBondContact O-N 3.14Å; F106-L109 CarbonylContact O-C 3.53Å; F106-L109 PolarHBondContact O-N 3.35Å |
| 110 | Q | 57.8 | Low | 64.1 | Low | 131 Ų | 131 | 117.2 Ų | 117.2 | 61% | 0.612 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -86.4 | -10.3 | 175.7 | -157.3 | 176.9 | 18.4 | 0 | 0 | 112 | F106 I112 | F106-Q110 VanDerWaalsContact O-CB 3.27Å; F106-Q110 WeakPolarHBondContact O-CB 3.33Å; F106-Q110 PolarHBondContact O-N 3.42Å; Q110-I112 VanDerWaalsContact C-N 3.33Å; Q110-I112 PolarHBondContact O-N 2.71Å |
| 111 | S | 51.7 | Low | 62 | Low | 55 Ų | 55 | 122.3 Ų | 122.3 | 39% | 0.385 | 65% | 0.652 | S | S | . | * | trans | -68.3 | 93.4 | 165.9 | 65.5 | 0 | 0 | 0 | 0 | 110 | A107 R108 F113 | A107-S111 WeakPolarHBondContact O-CB 3.27Å; A107-S111 PolarHBondContact O-N 3.14Å; R108-S111 PolarHBondContact O-OG 3.16Å; S111-F113 PolarHBondContact O-N 3.29Å | ||
| 112 | I | 53.2 | Low | 59.5 | Low | 171 Ų | 171 | 126.5 Ų | 126.5 | 88% | 0.877 | 67% | 0.67 | S | S | * | * | -39.9 | 89.6 | 127.3 | -63.7 | 162.7 | 0 | 0 | 0 | 107.1 | Q110 | Q110-I112 VanDerWaalsContact C-N 3.33Å; Q110-I112 PolarHBondContact O-N 2.71Å | |||
| 113 | F | 50.1 | Low | 57.3 | Low | 162 Ų | 162 | 129.3 Ų | 129.3 | 71% | 0.711 | 68% | 0.676 | S | S | * | * | trans | -10.1 | 150.8 | -176.6 | -79.1 | -82.8 | 0 | 0 | 0 | 121.8 | S111 | S111-F113 PolarHBondContact O-N 3.29Š| ||
| 114 | P | 50.7 | Low | 55.1 | Low | 85 Ų | 85 | 130.1 Ų | 130.1 | 55% | 0.552 | 69% | 0.691 | S | S | * | * | -144.7 | 158.1 | 56.9 | 37.4 | -16.4 | 0 | 0 | 0 | 118.6 | F116 | P114-F116 HydrophobicContact CG-CE2 4.49Å; P114-F116 HydrophobicContact CG-CZ 4.35Å; P114-F116 PolarHBondContact O-N 2.96Å | |||
| 115 | D | 49.1 | Very low | 53.2 | Low | 122 Ų | 122 | 134.6 Ų | 134.6 | 65% | 0.652 | 70% | 0.703 | S | S | * | * | trans | -63.5 | 115.2 | 162 | -73.9 | -59.7 | 0 | 0 | 0 | 110.6 | S117 | D115-S117 PolarHBondContact O-N 3.37Å; D115-S117 VanDerWaalsContact O-N 3.16Å | ||
| 116 | F | 50.9 | Low | 51.4 | Low | 193 Ų | 193 | 136.8 Ų | 136.8 | 85% | 0.846 | 72% | 0.719 | S | S | * | * | trans | -78.5 | 19 | 174.2 | -72.3 | -79.9 | 0 | 0 | 0 | 113.9 | P114 K118 | P114-F116 HydrophobicContact CG-CE2 4.49Å; P114-F116 HydrophobicContact CG-CZ 4.35Å; P114-F116 PolarHBondContact O-N 2.96Å; F116-K118 VanDerWaalsContact C-N 3.32Å; F116-K118 PolarHBondContact O-N 2.95Å | ||
| 117 | S | 51.7 | Low | 49.8 | Very low | 109 Ų | 109 | 137.6 Ų | 137.6 | 76% | 0.762 | 74% | 0.735 | S | S | * | * | trans | -90.6 | 18.5 | -179.4 | 61.5 | 0 | 0 | 0 | 0 | 114.4 | D115 | D115-S117 PolarHBondContact O-N 3.37Å; D115-S117 VanDerWaalsContact O-N 3.16Å | ||
| 118 | K | 40.7 | Very low | 48.3 | Very low | 195 Ų | 195 | 141 Ų | 141 | 85% | 0.848 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -121.9 | 110.8 | 169.4 | -141.4 | 172.1 | -174.1 | -179.1 | 0 | 110.8 | F116 G120 | F116-K118 VanDerWaalsContact C-N 3.32Å; F116-K118 PolarHBondContact O-N 2.95Å; K118-G120 PolarHBondContact O-N 3.31Å |
| 119 | A | 47.6 | Very low | 47.2 | Very low | 110 Ų | 110 | 139 Ų | 139 | 91% | 0.909 | 76% | 0.757 | S | S | * | * | trans | -48.8 | 117.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 120 | G | 44 | Very low | 46.1 | Very low | 68 Ų | 68 | 137 Ų | 137 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | trans | 174.8 | 83.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | K118 E122 | K118-G120 PolarHBondContact O-N 3.31Å; G120-E122 PolarHBondContact O-N 3.04Å; G120-E122 VanDerWaalsContact O-N 3.14Å | ||
| 121 | M | 49.3 | Very low | 45.5 | Very low | 178 Ų | 178 | 136.6 Ų | 136.6 | 88% | 0.877 | 76% | 0.764 | S | S | * | * | trans | -63.5 | 105.8 | 178.1 | -52.8 | 144.6 | 65.2 | 0 | 0 | 109.2 | ||||
| 122 | E | 40.5 | Very low | 44.5 | Very low | 194 Ų | 194 | 141.5 Ų | 141.5 | 91% | 0.907 | 79% | 0.786 | S | S | * | * | trans | -133.2 | 111 | 153 | -74.1 | -145.8 | 162.6 | 0 | 0 | 110.4 | G120 A124 | G120-E122 PolarHBondContact O-N 3.04Å; G120-E122 VanDerWaalsContact O-N 3.14Å; E122-A124 PolarHBondContact O-N 2.84Å | ||
| 123 | R | 43.3 | Very low | 43.7 | Very low | 198 Ų | 198 | 142.4 Ų | 142.4 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | trans | -70.8 | 118 | 176 | -64.8 | 178.5 | 174.8 | 131.2 | -7.2 | 107.7 | F125 | R123-F125 HydrophobicContact CB-CD2 3.65Å; R123-F125 HydrophobicContact CB-CE2 3.56Å; R123-F125 HydrophobicContact CB-CZ 4.33Å; R123-F125 HydrophobicContact CG-CE2 4.04Å; R123-F125 PolarHBondContact O-N 2.73Å | ||
| 124 | A | 42.5 | Very low | 42.9 | Very low | 102 Ų | 102 | 143.6 Ų | 143.6 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | -69.6 | 84.8 | 163.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | E122 | E122-A124 PolarHBondContact O-N 2.84Š| ||
| 125 | F | 45.4 | Very low | 42.1 | Very low | 163 Ų | 163 | 147.3 Ų | 147.3 | 72% | 0.715 | 81% | 0.805 | S | S | * | * | trans | -85 | 113.1 | 160.9 | -71.7 | -70.7 | 0 | 0 | 0 | 108 | R123 | R123-F125 HydrophobicContact CB-CD2 3.65Å; R123-F125 HydrophobicContact CB-CE2 3.56Å; R123-F125 HydrophobicContact CB-CZ 4.33Å; R123-F125 HydrophobicContact CG-CE2 4.04Å; R123-F125 PolarHBondContact O-N 2.73Å | ||
| 126 | L | 42.8 | Very low | 41.2 | Very low | 153 Ų | 153 | 144.8 Ų | 144.8 | 80% | 0.801 | 81% | 0.808 | S | S | * | * | trans | -58.2 | 129.9 | 169.3 | -61.6 | 169.9 | 0 | 0 | 0 | 109.3 | V128 | L126-V128 PolarHBondContact O-N 3.24Å; L126-V128 VanDerWaalsContact O-N 3.16Å | ||
| 127 | P | 40.8 | Very low | 40.1 | Very low | 121 Ų | 121 | 143.6 Ų | 143.6 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | trans | -80.7 | 98.3 | 166 | 30.7 | -26.3 | 0 | 0 | 0 | 107.9 | T129 | P127-T129 PolarHBondContact O-N 2.9Š| ||
| 128 | V | 36 | Very low | 39.1 | Very low | 129 Ų | 129 | 143.8 Ų | 143.8 | 78% | 0.782 | 81% | 0.806 | S | S | * | * | trans | -73 | 104.2 | 158.9 | 175.6 | 0 | 0 | 0 | 0 | 106.3 | L126 S130 | L126-V128 PolarHBondContact O-N 3.24Å; L126-V128 VanDerWaalsContact O-N 3.16Å; V128-S130 PolarHBondContact O-N 2.92Å; V128-S130 VanDerWaalsContact O-N 3.14Å | ||
| 129 | T | 41.4 | Very low | 38.7 | Very low | 136 Ų | 136 | 139.8 Ų | 139.8 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | trans | -68 | 106.1 | 171 | 33.8 | 0 | 0 | 0 | 0 | 109.3 | P127 | P127-T129 PolarHBondContact O-N 2.9Š| ||
| 130 | S | 39.6 | Very low | 38.3 | Very low | 103 Ų | 103 | 140.3 Ų | 140.3 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | trans | -102.9 | 128.1 | 167.6 | 173.2 | 0 | 0 | 0 | 0 | 108.8 | V128 | V128-S130 PolarHBondContact O-N 2.92Å; V128-S130 VanDerWaalsContact O-N 3.14Å | ||
| 131 | P | 44.6 | Very low | 37.8 | Very low | 121 Ų | 121 | 145.7 Ų | 145.7 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | trans | -90.7 | 120 | 179.5 | 33.4 | -26.8 | 0 | 0 | 0 | 109.7 | ||||
| 132 | N | 30.8 | Very low | 37.3 | Very low | 158 Ų | 158 | 145.9 Ų | 145.9 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | trans | -148.6 | 132.5 | 153.8 | -149.7 | -32.5 | 0 | 0 | 0 | 112.4 | ||||
| 133 | K | 35.7 | Very low | 37 | Very low | 190 Ų | 190 | 143.4 Ų | 143.4 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | trans | -79.7 | 136.4 | -176 | -59.1 | 179.5 | 176.2 | -176.5 | 0 | 109.3 | ||||
| 134 | H | 32.5 | Very low | 36.7 | Very low | 187 Ų | 187 | 141.7 Ų | 141.7 | 87% | 0.866 | 79% | 0.793 | S | S | * | * | trans | -151.2 | 110.9 | 142 | -146.1 | -87.7 | 0 | 0 | 0 | 112.6 | ||||
| 135 | L | 35.1 | Very low | 36.3 | Very low | 164 Ų | 164 | 143.9 Ų | 143.9 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | trans | -9.9 | 139.4 | 153 | -133.5 | 72 | 0 | 0 | 0 | 119.6 | ||||
| 136 | G | 30.6 | Very low | 35.8 | Very low | 69 Ų | 69 | 146 Ų | 146 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | trans | 149.5 | 78.7 | 157.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 137 | L | 28 | Very low | 35.5 | Very low | 168 Ų | 168 | 145.6 Ų | 145.6 | 88% | 0.88 | 82% | 0.816 | S | S | * | * | 49.1 | 112.7 | 104.1 | -153.4 | 78.5 | 0 | 0 | 0 | 112 | |||||
| 138 | V | 29.4 | Very low | 35.2 | Very low | 113 Ų | 113 | 146.9 Ų | 146.9 | 69% | 0.685 | 82% | 0.818 | S | S | * | * | -175.9 | 125.4 | 87.2 | 158 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 139 | T | 33 | Very low | 35.2 | Very low | 111 Ų | 111 | 147.9 Ų | 147.9 | 68% | 0.681 | 82% | 0.82 | S | S | * | * | trans | 35.4 | 136.2 | 154.8 | 57.3 | 0 | 0 | 0 | 0 | 124 | ||||
| 140 | P | 38.5 | Very low | 34.8 | Very low | 121 Ų | 121 | 148.6 Ų | 148.6 | 79% | 0.786 | 82% | 0.819 | S | S | * | * | trans | -95 | 132 | 157.3 | 35.1 | -24.7 | 0 | 0 | 0 | 111.1 | ||||
| 141 | H | 33.9 | Very low | 34.5 | Very low | 181 Ų | 181 | 151.4 Ų | 151.4 | 84% | 0.838 | 83% | 0.825 | S | S | * | * | trans | -128.6 | 110.4 | 159 | -92.4 | -78.5 | 0 | 0 | 0 | 111 | ||||
| 142 | K | 39 | Very low | 33.8 | Very low | 182 Ų | 182 | 153.5 Ų | 153.5 | 79% | 0.791 | 83% | 0.828 | S | S | * | * | trans | -23.3 | 138.7 | 150.8 | 174.8 | 175.5 | 178.7 | 169.8 | 0 | 114.3 | ||||
| 143 | T | 35 | Very low | 34.1 | Very low | 141 Ų | 141 | 153.1 Ų | 153.1 | 87% | 0.865 | 83% | 0.827 | S | S | * | * | trans | -163.5 | 121.2 | 134.9 | -65.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 144 | E | 35.2 | Very low | 33.9 | Very low | 162 Ų | 162 | 150.3 Ų | 150.3 | 76% | 0.757 | 83% | 0.827 | S | S | * | * | trans | -82.6 | 161.4 | 161.7 | -99 | -175 | 114.5 | 0 | 0 | 110.3 | ||||
| 145 | L | 35.3 | Very low | 34 | Very low | 149 Ų | 149 | 147.3 Ų | 147.3 | 78% | 0.78 | 82% | 0.823 | S | S | * | * | trans | 88.2 | 110.8 | 150.3 | -113.2 | 150.3 | 0 | 0 | 0 | 118.9 | ||||
| 146 | V | 35.6 | Very low | 34 | Very low | 206 Ų | 206 | 145.7 Ų | 145.7 | 100% | 1.248 | 82% | 0.82 | S | S | * | * | -139.9 | 0 | 120.9 | 164.4 | 0 | 0 | 0 | 0 | 107.7 |
Retrieved 146 of 146 residues in 82.4 ms
(Link to these results)