| 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 | 43.4 | Very low | 66.3 | Low | 247 Ų | 247 | 126.1 Ų | 126.1 | 100% | 1.217 | 66% | 0.658 | S | S | * | * | 0 | 107.1 | 0 | -71.6 | 178 | -170.4 | 0 | 0 | 108.2 | Q3 | M1-Q3 PolarHBondContact O-N 3.24Š| |||
| 2 | S | 51.4 | Low | 66.6 | Low | 126 Ų | 126 | 123 Ų | 123 | 88% | 0.881 | 65% | 0.648 | S | S | * | * | trans | -83.9 | 106.8 | 179.8 | -171.3 | 0 | 0 | 0 | 0 | 109 | N4 | S2-N4 PolarHBondContact O-N 3.4Š| ||
| 3 | Q | 59.3 | Low | 66.6 | Low | 85 Ų | 85 | 123.9 Ų | 123.9 | 40% | 0.397 | 66% | 0.661 | S | S | . | * | trans | -64.9 | 121.4 | 170.7 | -83.4 | 179.4 | 18.6 | 0 | 0 | 109 | M1 | M1-Q3 PolarHBondContact O-N 3.24Š| ||
| 4 | N | 76.2 | Confident | 66.9 | Low | 117 Ų | 117 | 124.9 Ų | 124.9 | 63% | 0.626 | 67% | 0.673 | S | S | * | * | trans | -66.9 | 143.4 | -176.4 | -160.4 | -15.8 | 0 | 0 | 0 | 109.9 | S2 A6 E7 R8 | S2-N4 PolarHBondContact O-N 3.4Å; N4-A6 PolarHBondContact O-N 3.35Å; N4-E7 WeakPolarHBondContact O-CB 3.35Å; N4-E7 PolarHBondContact O-N 2.75Å; N4-R8 PolarHBondContact O-N 3.25Å | ||
| 5 | A | 71.9 | Confident | 67.6 | Low | 60 Ų | 60 | 120.8 Ų | 120.8 | 50% | 0.496 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -58.2 | -24.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | K9 | A5-K9 WeakPolarHBondContact O-CG 3.1Å; A5-K9 PolarHBondContact O-N 3.17Å |
| 6 | A | 73.4 | Confident | 68.2 | Low | 66 Ų | 66 | 125.1 Ų | 125.1 | 55% | 0.545 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -65.6 | -39.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | N4 K9 S10 | N4-A6 PolarHBondContact O-N 3.35Å; A6-K9 PolarHBondContact O-N 2.94Å; A6-S10 PolarHBondContact O-N 3.2Å |
| 7 | E | 76.2 | Confident | 68.8 | Low | 98 Ų | 98 | 124.2 Ų | 124.2 | 46% | 0.458 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -69 | -34.3 | 177.8 | -114.9 | -176.3 | 153 | 0 | 0 | 112.1 | N4 S10 R11 | N4-E7 WeakPolarHBondContact O-CB 3.35Å; N4-E7 PolarHBondContact O-N 2.75Å; E7-S10 PolarHBondContact O-OG 3.45Å; E7-R11 PolarHBondContact O-N 3.31Å |
| 8 | R | 67.9 | Low | 69.4 | Low | 162 Ų | 162 | 124.1 Ų | 124.1 | 61% | 0.611 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -66.2 | -39.5 | 172.7 | -76.4 | -178 | 165.2 | 130.6 | -8.3 | 111.5 | N4 R11 | N4-R8 PolarHBondContact O-N 3.25Å; R8-R11 PolarHBondContact O-N 2.97Å |
| 9 | K | 68.5 | Low | 69.9 | Low | 161 Ų | 161 | 125.1 Ų | 125.1 | 70% | 0.7 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -68.3 | -33.7 | 177.8 | -73.6 | 179.4 | 178.7 | -175.2 | 0 | 112.7 | A5 A6 R11 V12 | A5-K9 WeakPolarHBondContact O-CG 3.1Å; A5-K9 PolarHBondContact O-N 3.17Å; A6-K9 PolarHBondContact O-N 2.94Å; K9-R11 PolarHBondContact O-N 3.31Å; K9-V12 WeakPolarHBondContact O-CB 3.48Å; K9-V12 PolarHBondContact O-N 3.44Å |
| 10 | S | 73.8 | Confident | 70.3 | Confident | 94 Ų | 94 | 123.5 Ų | 123.5 | 66% | 0.657 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -72.6 | -13.8 | 176.5 | 66.6 | 0 | 0 | 0 | 0 | 114 | A6 E7 | A6-S10 PolarHBondContact O-N 3.2Å; E7-S10 PolarHBondContact O-OG 3.45Å |
| 11 | R | 67.5 | Low | 70.5 | Confident | 171 Ų | 171 | 122.6 Ų | 122.6 | 65% | 0.645 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -3.5 | 172.1 | -69.2 | -177.3 | -175.8 | -165.3 | 0.4 | 113.5 | E7 R8 K9 V13 | E7-R11 PolarHBondContact O-N 3.31Å; R8-R11 PolarHBondContact O-N 2.97Å; K9-R11 PolarHBondContact O-N 3.31Å; R11-V13 PolarHBondContact O-N 3.46Å |
| 12 | V | 69.4 | Low | 72 | Confident | 89 Ų | 89 | 118.4 Ų | 118.4 | 54% | 0.539 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -72.5 | 113.1 | 173.1 | -179.1 | 0 | 0 | 0 | 0 | 107.2 | K9 V14 | K9-V12 WeakPolarHBondContact O-CB 3.48Å; K9-V12 PolarHBondContact O-N 3.44Å; V12-V14 VanDerWaalsContact C-N 3.34Å; V12-V14 HydrophobicContact CG1-CG2 4.4Å; V12-V14 WeakPolarHBondContact O-CG2 3.29Å; V12-V14 PolarHBondContact O-N 3.22Å |
| 13 | V | 67.2 | Low | 73.4 | Confident | 135 Ų | 135 | 121.4 Ų | 121.4 | 82% | 0.818 | 63% | 0.632 | S | S | * | * | trans | -70.4 | 95.5 | 171.7 | 178.9 | 0 | 0 | 0 | 0 | 107.2 | R11 | R11-V13 PolarHBondContact O-N 3.46Š| ||
| 14 | V | 71 | Confident | 73.9 | Confident | 138 Ų | 138 | 124.9 Ų | 124.9 | 84% | 0.836 | 65% | 0.653 | S | S | * | * | trans | -91 | 108.4 | 169.7 | -130.5 | 0 | 0 | 0 | 0 | 106.7 | V12 | V12-V14 VanDerWaalsContact C-N 3.34Å; V12-V14 HydrophobicContact CG1-CG2 4.4Å; V12-V14 WeakPolarHBondContact O-CG2 3.29Å; V12-V14 PolarHBondContact O-N 3.22Å | ||
| 15 | G | 77.6 | Confident | 73.4 | Confident | 63 Ų | 63 | 124.5 Ų | 124.5 | 65% | 0.649 | 66% | 0.657 | S | S | * | * | S | Bend | trans | 173.5 | -178.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L17 | G15-L17 PolarHBondContact O-N 2.9Š|
| 16 | Q | 77.2 | Confident | 72.7 | Confident | 190 Ų | 190 | 129.6 Ų | 129.6 | 89% | 0.888 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -64.8 | 128.6 | 172 | -160.2 | 164.6 | 7.2 | 0 | 0 | 108.7 | Q18 | Q16-Q18 PolarHBondContact O-N 3.33Š|
| 17 | L | 78.5 | Confident | 71.8 | Confident | 110 Ų | 110 | 131.9 Ų | 131.9 | 58% | 0.576 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 135.2 | 178.8 | -164.3 | 69.4 | 0 | 0 | 0 | 109.1 | G15 F21 | G15-L17 PolarHBondContact O-N 2.9Å; L17-F21 HydrophobicContact CD1-CB 3.92Å; L17-F21 HydrophobicContact CD1-CD1 3.61Å; L17-F21 HydrophobicContact CD1-CD2 3.65Å; L17-F21 HydrophobicContact CD1-CE1 3.92Å; L17-F21 HydrophobicContact CD1-CE2 3.97Å; L17-F21 HydrophobicContact CD1-CG 3.45Å; L17-F21 VanDerWaalsContact CD1-CG 3.45Å; L17-F21 HydrophobicContact CD1-CZ 4.08Å; L17-F21 HydrophobicContact CD2-CB 3.77Å; L17-F21 HydrophobicContact CD2-CD1 3.57Å; L17-F21 HydrophobicContact CD2-CE1 4.35Å; L17-F21 HydrophobicContact CD2-CG 3.85Å; L17-F21 HydrophobicContact CG-CB 3.52Å; L17-F21 HydrophobicContact CG-CD1 3.86Å; L17-F21 HydrophobicContact CG-CD2 4.25Å; L17-F21 HydrophobicContact CG-CG 3.63Å |
| 18 | Q | 79.6 | Confident | 70.4 | Confident | 121 Ų | 121 | 133.9 Ų | 133.9 | 57% | 0.565 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 140.7 | 174.7 | 59.1 | -177.6 | 36 | 0 | 0 | 110.5 | Q16 D20 F21 | Q16-Q18 PolarHBondContact O-N 3.33Å; Q18-D20 VanDerWaalsContact CB-OD1 3.29Å; Q18-D20 WeakPolarHBondContact CB-OD1 3.3Å; Q18-D20 VanDerWaalsContact CD-OD1 3.23Å; Q18-D20 WeakPolarHBondContact CG-OD1 3.47Å; Q18-D20 PolarHBondContact NE2-OD1 3.21Å; Q18-D20 PolarHBondContact O-N 2.98Å; Q18-F21 HydrophobicContact CG-CB 3.8Å; Q18-F21 HydrophobicContact CG-CD2 4.21Å; Q18-F21 VanDerWaalsContact O-CB 3.3Å; Q18-F21 WeakPolarHBondContact O-CB 3.44Å; Q18-F21 PolarHBondContact O-N 2.85Å |
| 19 | D | 78.3 | Confident | 69 | Low | 143 Ų | 143 | 134.1 Ų | 134.1 | 77% | 0.765 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | -20.9 | -171.7 | -68.5 | -35.3 | 0 | 0 | 0 | 113.6 | R23 | D19-R23 PolarHBondContact O-NE 2.94Å; D19-R23 PolarHBondContact O-NH2 3.5Å |
| 20 | D | 78.5 | Confident | 67.9 | Low | 93 Ų | 93 | 132 Ų | 132 | 50% | 0.497 | 72% | 0.716 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.8 | 7.2 | 179.9 | 66.6 | -20.8 | 0 | 0 | 0 | 113.9 | Q18 L22 R23 | Q18-D20 VanDerWaalsContact CB-OD1 3.29Å; Q18-D20 WeakPolarHBondContact CB-OD1 3.3Å; Q18-D20 VanDerWaalsContact CD-OD1 3.23Å; Q18-D20 WeakPolarHBondContact CG-OD1 3.47Å; Q18-D20 PolarHBondContact NE2-OD1 3.21Å; Q18-D20 PolarHBondContact O-N 2.98Å; D20-L22 PolarHBondContact O-N 3.05Å; D20-R23 WeakPolarHBondContact O-CB 3.28Å; D20-R23 PolarHBondContact O-N 3.45Å |
| 21 | F | 73.7 | Confident | 66.4 | Low | 105 Ų | 105 | 131.8 Ų | 131.8 | 46% | 0.461 | 71% | 0.714 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.2 | 124.2 | 178 | -167.3 | -97.7 | 0 | 0 | 0 | 110.7 | L17 Q18 R23 | L17-F21 HydrophobicContact CD1-CB 3.92Å; L17-F21 HydrophobicContact CD1-CD1 3.61Å; L17-F21 HydrophobicContact CD1-CD2 3.65Å; L17-F21 HydrophobicContact CD1-CE1 3.92Å; L17-F21 HydrophobicContact CD1-CE2 3.97Å; L17-F21 HydrophobicContact CD1-CG 3.45Å; L17-F21 VanDerWaalsContact CD1-CG 3.45Å; L17-F21 HydrophobicContact CD1-CZ 4.08Å; L17-F21 HydrophobicContact CD2-CB 3.77Å; L17-F21 HydrophobicContact CD2-CD1 3.57Å; L17-F21 HydrophobicContact CD2-CE1 4.35Å; L17-F21 HydrophobicContact CD2-CG 3.85Å; L17-F21 HydrophobicContact CG-CB 3.52Å; L17-F21 HydrophobicContact CG-CD1 3.86Å; L17-F21 HydrophobicContact CG-CD2 4.25Å; L17-F21 HydrophobicContact CG-CG 3.63Å; Q18-F21 HydrophobicContact CG-CB 3.8Å; Q18-F21 HydrophobicContact CG-CD2 4.21Å; Q18-F21 VanDerWaalsContact O-CB 3.3Å; Q18-F21 WeakPolarHBondContact O-CB 3.44Å; Q18-F21 PolarHBondContact O-N 2.85Å; F21-R23 PolarHBondContact O-N 3.16Å |
| 22 | L | 75.7 | Confident | 65 | Low | 160 Ų | 160 | 131.3 Ų | 131.3 | 84% | 0.838 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.6 | 8.3 | -172 | -56.9 | 172.3 | 0 | 0 | 0 | 115.9 | D20 | D20-L22 PolarHBondContact O-N 3.05Š|
| 23 | R | 79.3 | Confident | 63.7 | Low | 189 Ų | 189 | 133.6 Ų | 133.6 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 131.4 | 168.7 | -59.6 | -167 | -168.1 | -147.6 | 0.5 | 109.2 | D19 D20 F21 | D19-R23 PolarHBondContact O-NE 2.94Å; D19-R23 PolarHBondContact O-NH2 3.5Å; D20-R23 WeakPolarHBondContact O-CB 3.28Å; D20-R23 PolarHBondContact O-N 3.45Å; F21-R23 PolarHBondContact O-N 3.16Å |
| 24 | L | 71.2 | Confident | 62.5 | Low | 158 Ų | 158 | 131 Ų | 131 | 83% | 0.827 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -74 | 141.7 | 168.1 | -64.5 | 168.3 | 0 | 0 | 0 | 107.9 | D26 | L24-D26 PolarHBondContact O-N 3.25Š|
| 25 | P | 66 | Low | 60.9 | Low | 108 Ų | 108 | 130 Ų | 130 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -59 | 129.5 | 174.4 | 23.8 | -31.5 | 0 | 0 | 0 | 109.2 | V27 | P25-V27 PolarHBondContact O-N 3.16Š|
| 26 | D | 57.1 | Low | 59.3 | Low | 168 Ų | 168 | 133.2 Ų | 133.2 | 90% | 0.898 | 74% | 0.736 | S | S | * | * | trans | -57.4 | 107.6 | 168.5 | -87.7 | -39.2 | 0 | 0 | 0 | 107.5 | L24 D28 | L24-D26 PolarHBondContact O-N 3.25Å; D26-D28 PolarHBondContact O-N 3.3Å | ||
| 27 | V | 54.3 | Low | 57.5 | Low | 114 Ų | 114 | 127 Ų | 127 | 69% | 0.691 | 72% | 0.723 | S | S | * | * | trans | -74.9 | 116.9 | 171.4 | -179.9 | 0 | 0 | 0 | 0 | 106.3 | P25 N29 | P25-V27 PolarHBondContact O-N 3.16Å; V27-N29 PolarHBondContact O-N 2.99Å | ||
| 28 | D | 46.2 | Very low | 55.3 | Low | 140 Ų | 140 | 126.8 Ų | 126.8 | 75% | 0.749 | 74% | 0.738 | S | S | * | * | trans | -41.7 | 126.2 | 176 | -91.1 | -39.4 | 0 | 0 | 0 | 110.9 | D26 S30 | D26-D28 PolarHBondContact O-N 3.3Å; D28-S30 PolarHBondContact O-N 2.99Å | ||
| 29 | N | 39 | Very low | 53.6 | Low | 167 Ų | 167 | 127.6 Ų | 127.6 | 89% | 0.893 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | 38 | -165.5 | -141.7 | 8.7 | 0 | 0 | 0 | 113.6 | V27 | V27-N29 PolarHBondContact O-N 2.99Š|
| 30 | S | 44 | Very low | 51.6 | Low | 117 Ų | 117 | 128.8 Ų | 128.8 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.4 | -0.4 | -177.2 | -48.6 | 0 | 0 | 0 | 0 | 113.6 | D28 | D28-S30 PolarHBondContact O-N 2.99Š|
| 31 | S | 43.4 | Very low | 50.1 | Low | 88 Ų | 88 | 129.5 Ų | 129.5 | 62% | 0.615 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -135.1 | 109.6 | 176.3 | 46.3 | 0 | 0 | 0 | 0 | 109.1 | V33 | S31-V33 PolarHBondContact O-N 3.24Š|
| 32 | N | 37.4 | Very low | 48.5 | Very low | 162 Ų | 162 | 131.2 Ų | 131.2 | 87% | 0.866 | 78% | 0.777 | S | S | * | * | trans | -39.9 | 123.1 | 176.4 | -62.5 | -64.8 | 0 | 0 | 0 | 112.4 | ||||
| 33 | V | 42.2 | Very low | 47.4 | Very low | 136 Ų | 136 | 128.2 Ų | 128.2 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | 151.7 | 112.2 | 119.4 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | S31 | S31-V33 PolarHBondContact O-N 3.24Š| |||
| 34 | A | 41.6 | Very low | 45.7 | Very low | 82 Ų | 82 | 124 Ų | 124 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | trans | 71.1 | 75.9 | 147.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 35 | S | 38.3 | Very low | 44.5 | Very low | 115 Ų | 115 | 126.5 Ų | 126.5 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -59.2 | 118.4 | 136.6 | 53.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 36 | V | 44.3 | Very low | 43.8 | Very low | 131 Ų | 131 | 125.2 Ų | 125.2 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | trans | -138.7 | 81.4 | 155.9 | -171.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 37 | G | 39.2 | Very low | 43.3 | Very low | 60 Ų | 60 | 121.9 Ų | 121.9 | 62% | 0.619 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -74.6 | 148.7 | 142.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | I39 | G37-I39 PolarHBondContact O-N 3.32Š|
| 38 | A | 32.6 | Very low | 42.7 | Very low | 106 Ų | 106 | 125.1 Ų | 125.1 | 88% | 0.876 | 77% | 0.77 | S | S | * | * | trans | -45.3 | 124.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 39 | I | 42.5 | Very low | 42.4 | Very low | 137 Ų | 137 | 125 Ų | 125 | 70% | 0.703 | 77% | 0.768 | S | S | * | * | trans | -126.5 | 110.8 | 166.6 | -55.6 | 178.1 | 0 | 0 | 0 | 107.7 | G37 V41 | G37-I39 PolarHBondContact O-N 3.32Å; I39-V41 HydrophobicContact CB-CG2 4.46Å; I39-V41 HydrophobicContact CG2-CG2 3.72Å; I39-V41 PolarHBondContact O-N 3.22Å | ||
| 40 | N | 38 | Very low | 42.4 | Very low | 168 Ų | 168 | 123.2 Ų | 123.2 | 90% | 0.898 | 76% | 0.763 | S | S | * | * | trans | -64.7 | 110.7 | 164.4 | -83.5 | -13.8 | 0 | 0 | 0 | 108.4 | ||||
| 41 | V | 46.2 | Very low | 42.1 | Very low | 109 Ų | 109 | 122.3 Ų | 122.3 | 66% | 0.661 | 76% | 0.756 | S | S | * | * | trans | -110.8 | 111.8 | 171.6 | -176.7 | 0 | 0 | 0 | 0 | 108.8 | I39 V43 | I39-V41 HydrophobicContact CB-CG2 4.46Å; I39-V41 HydrophobicContact CG2-CG2 3.72Å; I39-V41 PolarHBondContact O-N 3.22Å; V41-V43 PolarHBondContact O-N 3.48Å | ||
| 42 | T | 39.5 | Very low | 41.7 | Very low | 140 Ų | 140 | 122.9 Ų | 122.9 | 86% | 0.859 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 118.6 | 167.3 | -51.5 | 0 | 0 | 0 | 0 | 108.6 | ||
| 43 | V | 53.2 | Low | 41.6 | Very low | 97 Ų | 97 | 118.6 Ų | 118.6 | 59% | 0.588 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -95.5 | 129.4 | 179.3 | -162.8 | 0 | 0 | 0 | 0 | 109.4 | V41 V47 | V41-V43 PolarHBondContact O-N 3.48Å; V43-V47 HydrophobicContact CG1-CB 4.4Å |
| 44 | P | 44.6 | Very low | 41.3 | Very low | 102 Ų | 102 | 116.7 Ų | 116.7 | 66% | 0.662 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 147.6 | 175.9 | -15.9 | 28.9 | 0 | 0 | 0 | 112.5 | G46 | P44-G46 PolarHBondContact O-N 3.36Š|
| 45 | E | 45.2 | Very low | 41 | Very low | 210 Ų | 210 | 120.9 Ų | 120.9 | 98% | 0.981 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.9 | 126.4 | 175.1 | -80.6 | 178.9 | 143.4 | 0 | 0 | 111.6 | ||
| 46 | G | 50.8 | Low | 41 | Very low | 81 Ų | 81 | 123.8 Ų | 123.8 | 84% | 0.835 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 119 | -6.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | P44 | P44-G46 PolarHBondContact O-N 3.36Š|
| 47 | V | 46.7 | Very low | 41.2 | Very low | 98 Ų | 98 | 122.2 Ų | 122.2 | 59% | 0.594 | 73% | 0.732 | S | S | * | * | trans | -96.2 | 101.4 | 175.4 | -171.9 | 0 | 0 | 0 | 0 | 109.8 | V43 L49 | V43-V47 HydrophobicContact CG1-CB 4.4Å; V47-L49 PolarHBondContact O-N 3.49Å | ||
| 48 | Q | 41.6 | Very low | 41.9 | Very low | 181 Ų | 181 | 124.7 Ų | 124.7 | 85% | 0.846 | 74% | 0.737 | S | S | * | * | trans | -76.3 | 90.9 | 171.6 | -158.1 | 162.4 | 31.8 | 0 | 0 | 108.5 | V50 | Q48-V50 PolarHBondContact O-N 3.32Š| ||
| 49 | L | 41.2 | Very low | 43.6 | Very low | 138 Ų | 138 | 127.6 Ų | 127.6 | 72% | 0.723 | 73% | 0.731 | S | S | * | * | trans | -70.8 | 99.9 | 174.9 | -154.5 | 85.1 | 0 | 0 | 0 | 108 | V47 C51 | V47-L49 PolarHBondContact O-N 3.49Å; L49-C51 PolarHBondContact O-N 2.93Å | ||
| 50 | V | 38.9 | Very low | 45.5 | Very low | 129 Ų | 129 | 124.4 Ų | 124.4 | 78% | 0.782 | 71% | 0.714 | S | S | * | * | trans | -73.7 | 84 | 170.9 | -175.1 | 0 | 0 | 0 | 0 | 107.5 | Q48 A52 | Q48-V50 PolarHBondContact O-N 3.32Å; V50-A52 VanDerWaalsContact C-N 3.33Å; V50-A52 PolarHBondContact O-N 3.04Å; V50-A52 VanDerWaalsContact O-N 3.09Å | ||
| 51 | C | 37.7 | Very low | 47.6 | Very low | 99 Ų | 99 | 119.1 Ų | 119.1 | 67% | 0.669 | 69% | 0.689 | S | S | * | * | trans | -77 | 85.4 | 170.3 | 49.2 | 0 | 0 | 0 | 0 | 109.3 | L49 A53 | L49-C51 PolarHBondContact O-N 2.93Å; C51-A53 PolarHBondContact O-N 2.79Å | ||
| 52 | A | 33.9 | Very low | 49.3 | Very low | 99 Ų | 99 | 119.7 Ų | 119.7 | 82% | 0.818 | 70% | 0.695 | S | S | * | * | trans | -75 | 73.7 | 158.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | V50 | V50-A52 VanDerWaalsContact C-N 3.33Å; V50-A52 PolarHBondContact O-N 3.04Å; V50-A52 VanDerWaalsContact O-N 3.09Å | ||
| 53 | A | 36.4 | Very low | 51.6 | Low | 73 Ų | 73 | 122.5 Ų | 122.5 | 60% | 0.603 | 69% | 0.69 | S | S | * | * | trans | -146.9 | 107 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | C51 | C51-A53 PolarHBondContact O-N 2.79Š| ||
| 54 | P | 34.5 | Very low | 53.3 | Low | 95 Ų | 95 | 119.2 Ų | 119.2 | 62% | 0.617 | 67% | 0.67 | S | S | * | * | trans | -103.6 | 141.8 | 142.2 | 34.2 | -23.7 | 0 | 0 | 0 | 108.1 | ||||
| 55 | F | 36.6 | Very low | 55.6 | Low | 170 Ų | 170 | 120.5 Ų | 120.5 | 75% | 0.746 | 66% | 0.662 | S | S | * | * | trans | 85.8 | 44.8 | 168.4 | -34.2 | -66.9 | 0 | 0 | 0 | 118.9 | N57 | F55-N57 VanDerWaalsContact C-N 3.29Å; F55-N57 PolarHBondContact O-N 3.27Å | ||
| 56 | F | 38.5 | Very low | 57.9 | Low | 176 Ų | 176 | 110.5 Ų | 110.5 | 77% | 0.772 | 62% | 0.615 | S | S | * | * | -67.8 | 104.9 | 127.8 | -97.2 | -89.2 | 0 | 0 | 0 | 104.9 | P58 I193 | F56-P58 WeakPolarHBondContact O-CD 3.5Å; F56-I193 HydrophobicContact CE2-CD1 4.37Å; F56-I193 HydrophobicContact CZ-CD1 4.1Å | |||
| 57 | N | 47 | Very low | 60 | Low | 99 Ų | 99 | 112.1 Ų | 112.1 | 53% | 0.529 | 60% | 0.596 | S | S | . | * | trans | -86.2 | 100.4 | 169.3 | -147.3 | 11.4 | 0 | 0 | 0 | 105.4 | F55 F59 | F55-N57 VanDerWaalsContact C-N 3.29Å; F55-N57 PolarHBondContact O-N 3.27Å; N57-F59 PolarHBondContact O-N 2.76Å | ||
| 58 | P | 54.9 | Low | 62.4 | Low | 111 Ų | 111 | 107.5 Ų | 107.5 | 72% | 0.721 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 12.5 | -169.4 | 28.3 | -28.5 | 0 | 0 | 0 | 113.2 | F56 | F56-P58 WeakPolarHBondContact O-CD 3.5Š|
| 59 | F | 68.7 | Low | 65 | Low | 168 Ų | 168 | 99.6 Ų | 99.6 | 74% | 0.737 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.5 | 22.4 | -169.5 | -88.9 | -84.3 | 0 | 0 | 0 | 113.4 | N57 P61 | N57-F59 PolarHBondContact O-N 2.76Å; F59-P61 WeakPolarHBondContact O-CD 3.5Å |
| 60 | L | 80.9 | Confident | 67.8 | Low | 69 Ų | 69 | 93 Ų | 93 | 36% | 0.361 | 50% | 0.497 | S | S | . | . | trans | -77.7 | 113.9 | 165.1 | -175.6 | 68 | 0 | 0 | 0 | 109 | T64 Y120 I188 | L60-T64 HydrophobicContact CD1-CG2 4.13Å; L60-Y120 HydrophobicContact CD1-CD1 3.74Å; L60-Y120 HydrophobicContact CD1-CE1 3.58Å; L60-Y120 HydrophobicContact CD1-CG 4.3Å; L60-I188 HydrophobicContact CD1-CD1 3.78Å; L60-I188 HydrophobicContact CD1-CG1 4.36Å; L60-I188 HydrophobicContact CD1-CG2 4.21Å; L60-I188 HydrophobicContact CD2-CG2 3.81Å | ||
| 61 | P | 82.6 | Confident | 70.6 | Confident | 57 Ų | 57 | 88 Ų | 88 | 37% | 0.37 | 47% | 0.467 | S | S | . | . | trans | -60.6 | 143.8 | 178.1 | -22.2 | 35.2 | 0 | 0 | 0 | 110.8 | F59 T64 Y120 | F59-P61 WeakPolarHBondContact O-CD 3.5Å; P61-T64 PolarHBondContact O-N 2.78Å; P61-T64 PolarHBondContact O-OG1 3.38Å; P61-Y120 HydrophobicContact CG-CD2 4.08Å; P61-Y120 HydrophobicContact CG-CG 4.42Å | ||
| 62 | P | 81.9 | Confident | 73.5 | Confident | 122 Ų | 122 | 83.3 Ų | 83.3 | 79% | 0.792 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 146.9 | 173 | -24.3 | 33.5 | 0 | 0 | 0 | 111.3 | T64 | P62-T64 VanDerWaalsContact C-N 3.3Å; P62-T64 PolarHBondContact O-N 2.63Å |
| 63 | R | 87.5 | Confident | 76.6 | Confident | 198 Ų | 198 | 78.8 Ų | 78.8 | 75% | 0.747 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 39.2 | 179.8 | -52.9 | -174.4 | -177.1 | 153.5 | 0.9 | 113.6 | P122 E123 | R63-P122 CarbonylContact O-C 3.46Å; R63-E123 HydrophobicContact CB-CB 3.93Å; R63-E123 WeakPolarHBondContact O-CB 3.46Å; R63-E123 PolarHBondContact O-N 3.08Å |
| 64 | T | 90.3 | Very high | 79.6 | Confident | 28 Ų | 28 | 78 Ų | 78 | 17% | 0.172 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 128.6 | 172.5 | -56.5 | 0 | 0 | 0 | 0 | 110.7 | L60 P61 P62 G66 Y120 L121 I188 | L60-T64 HydrophobicContact CD1-CG2 4.13Å; P61-T64 PolarHBondContact O-N 2.78Å; P61-T64 PolarHBondContact O-OG1 3.38Å; P62-T64 VanDerWaalsContact C-N 3.3Å; P62-T64 PolarHBondContact O-N 2.63Å; T64-G66 WeakPolarHBondContact CG2-O 3.42Å; T64-Y120 HydrophobicContact CG2-CD1 3.86Å; T64-Y120 HydrophobicContact CG2-CG 4.09Å; T64-L121 WeakPolarHBondContact CG2-O 3.49Å; T64-I188 HydrophobicContact CG2-CD1 3.23Å |
| 65 | R | 90.9 | Very high | 82.6 | Confident | 129 Ų | 129 | 73.5 Ų | 73.5 | 49% | 0.487 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | -29 | -178.6 | -160.4 | 172.7 | 178.9 | -169.6 | 0.1 | 113.4 | L121 F156 | R65-L121 PolarHBondContact N-O 2.8Å; R65-F156 HydrophobicContact CG-CE1 4.49Å; R65-F156 VanDerWaalsContact CZ-CD1 3.46Å; R65-F156 VanDerWaalsContact CZ-CE1 3.42Å; R65-F156 VanDerWaalsContact NH1-CE1 3.29Å |
| 66 | G | 93.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.1 | 178.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | T64 L121 D186 | T64-G66 WeakPolarHBondContact CG2-O 3.42Å; G66-L121 PolarHBondContact O-N 3.46Å; G66-D186 WeakPolarHBondContact CA-O 3.49Å |
| 67 | R | 94.9 | Very high | 88.4 | Confident | 116 Ų | 116 | 60.8 Ų | 60.8 | 44% | 0.438 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 105.9 | 167.5 | -177.7 | 179.7 | 69.5 | -174.5 | 2.4 | 108.8 | S119 L185 D186 | R67-S119 CarbonylContact C-O 3.59Å; R67-S119 WeakPolarHBondContact CA-O 3.4Å; R67-L185 WeakPolarHBondContact O-CA 3.36Å; R67-D186 HydrophobicContact CB-CB 4.32Å; R67-D186 IonicContact CZ-OD2 3.03Å; R67-D186 VanDerWaalsContact CZ-OD2 3.31Å; R67-D186 PolarHBondContact N-O 3.07Å; R67-D186 IonicContact NE-OD2 2.65Å; R67-D186 PolarHBondContact NE-OD2 2.88Å; R67-D186 VanDerWaalsContact NE-OD2 3.08Å; R67-D186 IonicContact NH2-OD2 3.28Å; R67-D186 PolarHBondContact NH2-OD2 3.32Å; R67-D186 PolarHBondContact O-N 3.47Å |
| 68 | L | 97.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 124.3 | 175.4 | -178.8 | 71.1 | 0 | 0 | 0 | 109.2 | V70 V94 S119 L121 V128 L151 I155 F183 L185 | L68-V70 HydrophobicContact CD1-CG2 4.31Å; L68-V70 HydrophobicContact CD2-CG2 3.73Å; L68-V70 HydrophobicContact CG-CG2 3.69Å; L68-V94 HydrophobicContact CD2-CG1 3.92Å; L68-V94 HydrophobicContact CD2-CG2 4.25Å; L68-S119 PolarHBondContact N-O 3Å; L68-S119 PolarHBondContact O-N 3.45Å; L68-L121 HydrophobicContact CB-CB 4.14Å; L68-L121 HydrophobicContact CD2-CD1 4.45Å; L68-V128 HydrophobicContact CD2-CG1 4.25Å; L68-L151 HydrophobicContact CD1-CD2 4.07Å; L68-L151 HydrophobicContact CD2-CD2 4.07Å; L68-I155 HydrophobicContact CD1-CD1 3.79Å; L68-F183 HydrophobicContact CD1-CD1 4.28Å; L68-L185 HydrophobicContact CB-CD1 4Å; L68-L185 HydrophobicContact CD1-CD1 4.35Å |
| 69 | N | 97.8 | Very high | 92.6 | Very high | 15 Ų | 15 | 59.1 Ų | 59.1 | 8% | 0.08 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 128.6 | 169.4 | -49 | -62.6 | 0 | 0 | 0 | 107.9 | T116 I117 H118 F183 S184 D186 | N69-T116 HydrophobicContact CB-CG2 4.41Å; N69-I117 WeakPolarHBondContact CA-O 3.35Å; N69-H118 PolarHBondContact OD1-ND1 3.31Å; N69-F183 WeakPolarHBondContact O-CA 3.3Å; N69-S184 WeakPolarHBondContact CB-OG 3.22Å; N69-S184 PolarHBondContact N-O 2.91Å; N69-S184 PolarHBondContact ND2-OG 2.78Å; N69-S184 VanDerWaalsContact ND2-OG 3.1Å; N69-S184 PolarHBondContact O-N 3.04Å; N69-D186 PolarHBondContact ND2-OD2 3Å |
| 70 | V | 98.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 117 | 176.2 | -168.2 | 0 | 0 | 0 | 0 | 109.4 | L68 L92 T116 I117 I182 F183 | L68-V70 HydrophobicContact CD1-CG2 4.31Å; L68-V70 HydrophobicContact CD2-CG2 3.73Å; L68-V70 HydrophobicContact CG-CG2 3.69Å; V70-L92 HydrophobicContact CB-CD2 3.75Å; V70-L92 HydrophobicContact CG1-CD2 3.68Å; V70-L92 HydrophobicContact CG2-CD2 4Å; V70-T116 CarbonylContact O-C 3.14Å; V70-T116 WeakPolarHBondContact O-CA 3.48Å; V70-I117 HydrophobicContact CB-CD1 3.97Å; V70-I117 HydrophobicContact CB-CG1 3.99Å; V70-I117 HydrophobicContact CG2-CD1 3.98Å; V70-I117 PolarHBondContact N-O 3.26Å; V70-I117 PolarHBondContact O-N 3.06Å; V70-I182 CarbonylContact C-O 3.55Å; V70-I182 WeakPolarHBondContact CA-O 3.32Å; V70-F183 HydrophobicContact CB-CD1 4.29Å; V70-F183 HydrophobicContact CB-CE1 4.22Å; V70-F183 HydrophobicContact CG1-CD1 3.89Å; V70-F183 HydrophobicContact CG1-CE1 3.53Å; V70-F183 HydrophobicContact CG1-CZ 3.99Å; V70-F183 HydrophobicContact CG2-CD1 3.67Å; V70-F183 HydrophobicContact CG2-CE1 3.66Å |
| 71 | T | 98.7 | Very high | 94 | Very high | 25 Ų | 25 | 51.6 Ų | 51.6 | 15% | 0.153 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 119.3 | 170.4 | -50.8 | 0 | 0 | 0 | 0 | 109.5 | A73 R115 T116 L181 I182 | T71-A73 PolarHBondContact O-N 3.32Å; T71-R115 WeakPolarHBondContact CA-O 3.43Å; T71-T116 PolarHBondContact OG1-OG1 3.5Å; T71-L181 WeakPolarHBondContact O-CA 3.18Å; T71-I182 HydrophobicContact CG2-CD1 4.25Å; T71-I182 PolarHBondContact N-O 2.81Å; T71-I182 PolarHBondContact O-N 2.85Å |
| 72 | M | 98.6 | Very high | 94 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 97.2 | 166 | -67.2 | 161.1 | -75 | 0 | 0 | 107.3 | C90 L92 T101 N114 R115 I117 L130 L181 | M72-C90 HydrophobicContact CG-CB 4.45Å; M72-C90 HydrophobicContact SD-CB 3.62Å; M72-L92 HydrophobicContact CE-CB 4.4Å; M72-L92 HydrophobicContact SD-CB 3.83Å; M72-L92 HydrophobicContact SD-CD2 4.45Å; M72-T101 HydrophobicContact CB-CG2 3.98Å; M72-T101 HydrophobicContact CE-CG2 3.48Å; M72-T101 VanDerWaalsContact CE-CG2 3.48Å; M72-T101 HydrophobicContact CG-CG2 4.45Å; M72-T101 HydrophobicContact SD-CG2 3.62Å; M72-N114 PolarHBondContact O-N 2.97Å; M72-N114 VanDerWaalsContact O-N 3.11Å; M72-R115 PolarHBondContact N-O 3.35Å; M72-R115 PolarHBondContact O-N 3.2Å; M72-R115 VanDerWaalsContact O-N 3.11Å; M72-I117 HydrophobicContact CE-CG1 4.29Å; M72-I117 HydrophobicContact CE-CG2 3.52Å; M72-L130 HydrophobicContact CG-CD1 4.21Å; M72-L181 HydrophobicContact CB-CD2 4.22Å; M72-L181 HydrophobicContact CG-CD2 3.76Å |
| 73 | A | 98.6 | Very high | 94.1 | Very high | 4 Ų | 4 | 56.6 Ų | 56.6 | 3% | 0.033 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | -68.5 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | T71 W113 N114 N180 | T71-A73 PolarHBondContact O-N 3.32Å; A73-W113 PolarHBondContact O-N 3.21Å; A73-N114 PolarHBondContact O-N 3.29Å; A73-N114 VanDerWaalsContact O-N 3.07Å; A73-N180 HydrophobicContact CB-CB 4.36Å; A73-N180 WeakPolarHBondContact CB-OD1 3.29Å; A73-N180 PolarHBondContact N-O 2.9Å |
| 74 | Q | 98.7 | Very high | 94.2 | Very high | 57 Ų | 57 | 52.7 Ų | 52.7 | 27% | 0.266 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 168.1 | -173 | 57.2 | 179.8 | -40.8 | 0 | 0 | 111.3 | P111 H112 W164 N180 | Q74-P111 CarbonylContact C-O 3.59Å; Q74-P111 WeakPolarHBondContact CA-O 3.35Å; Q74-P111 VanDerWaalsContact CB-O 3.31Å; Q74-P111 WeakPolarHBondContact CB-O 3.44Å; Q74-H112 PolarHBondContact OE1-NE2 3.35Å; Q74-W164 HydrophobicContact CG-CH2 3.71Å; Q74-W164 HydrophobicContact CG-CZ2 4.11Å; Q74-N180 HydrophobicContact CG-CB 3.88Å; Q74-N180 PolarHBondContact O-N 3.33Å |
| 75 | A | 98.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 157.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L77 T110 P111 W113 I132 M178 V179 | A75-L77 HydrophobicContact CB-CD2 4.44Å; A75-T110 VanDerWaalsContact O-CA 3.29Å; A75-T110 WeakPolarHBondContact O-CA 3.49Å; A75-P111 HydrophobicContact CB-CG 3.99Å; A75-P111 PolarHBondContact N-O 2.96Å; A75-P111 WeakPolarHBondContact O-CD 3.42Å; A75-W113 HydrophobicContact CB-CH2 3.87Å; A75-W113 HydrophobicContact CB-CZ3 3.95Å; A75-I132 HydrophobicContact CB-CD1 4.11Å; A75-M178 CarbonylContact C-O 3.49Å; A75-M178 WeakPolarHBondContact CA-O 3.32Å; A75-V179 HydrophobicContact CB-CB 4.39Å; A75-V179 HydrophobicContact CB-CG2 4.4Å |
| 76 | N | 98.4 | Very high | 94.6 | Very high | 68 Ų | 68 | 51.9 Ų | 51.9 | 36% | 0.364 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 96.5 | 170.1 | -79.5 | -36.4 | 0 | 0 | 0 | 108.5 | K109 T110 W164 G177 M178 | N76-K109 CarbonylContact C-O 3.6Å; N76-T110 WeakPolarHBondContact OD1-CG2 3.46Å; N76-W164 HydrophobicContact CB-CZ3 4.27Å; N76-W164 WeakPolarHBondContact ND2-CH2 3.47Å; N76-G177 CarbonylContact O-C 3.56Å; N76-G177 WeakPolarHBondContact O-CA 3.49Å; N76-M178 PolarHBondContact N-O 3.37Å; N76-M178 PolarHBondContact O-N 2.87Å |
| 77 | L | 98.2 | Very high | 94.7 | Very high | 11 Ų | 11 | 54.2 Ų | 54.2 | 6% | 0.058 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 149.5 | 180 | -54.3 | 175.1 | 0 | 0 | 0 | 111.4 | A75 M86 K109 I132 I144 A145 L167 E176 | A75-L77 HydrophobicContact CB-CD2 4.44Å; L77-M86 HydrophobicContact CD1-CE 3.6Å; L77-K109 HydrophobicContact CB-CB 4.46Å; L77-K109 PolarHBondContact N-O 3.39Å; L77-K109 WeakPolarHBondContact O-CB 3.25Å; L77-I132 HydrophobicContact CD2-CD1 4.21Å; L77-I144 HydrophobicContact CD1-CD1 3.67Å; L77-A145 HydrophobicContact CD2-CB 4.19Å; L77-L167 HydrophobicContact CD2-CD1 3.63Å; L77-E176 WeakPolarHBondContact CA-O 3.31Å |
| 78 | T | 96.7 | Very high | 94.9 | Very high | 71 Ų | 71 | 48.7 Ų | 48.7 | 44% | 0.436 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -78.9 | -26.2 | -178.3 | 59.5 | 0 | 0 | 0 | 0 | 113.2 | K175 E176 | T78-K175 WeakPolarHBondContact CG2-O 3.49Å; T78-K175 PolarHBondContact OG1-O 3.14Å; T78-E176 PolarHBondContact N-O 2.97Å; T78-E176 PolarHBondContact OG1-O 3.41Å |
| 79 | K | 93.5 | Very high | 95 | Very high | 104 Ų | 104 | 49.1 Ų | 49.1 | 45% | 0.452 | 26% | 0.256 | S | S | . | . | trans | -146.3 | 150.8 | -169.7 | -170.7 | 171.6 | 179.4 | -178.2 | 0 | 112.7 | M86 | K79-M86 WeakPolarHBondContact O-CE 3.48Š| ||
| 80 | N | 91.2 | Very high | 95 | Very high | 54 Ų | 54 | 48.4 Ų | 48.4 | 29% | 0.289 | 25% | 0.252 | S | S | . | . | trans | -91.1 | 136.5 | 162.9 | -68.2 | -61.2 | 0 | 0 | 0 | 109.6 | M86 G108 K109 | N80-M86 HydrophobicContact CB-CG 4.4Å; N80-G108 WeakPolarHBondContact OD1-CA 3.23Å; N80-K109 PolarHBondContact OD1-N 2.83Å | ||
| 81 | Y | 87.2 | Confident | 95 | Very high | 24 Ų | 24 | 51.3 Ų | 51.3 | 9% | 0.094 | 26% | 0.263 | C | S | . | . | trans | -94.9 | 119.8 | 173.6 | -67.9 | -81.2 | 0 | 0 | 0 | 109.1 | M86 I144 N170 E176 | Y81-M86 HydrophobicContact CD2-SD 3.66Å; Y81-M86 HydrophobicContact CG-SD 4.26Å; Y81-M86 PolarHBondContact N-SD 2.94Å; Y81-I144 HydrophobicContact CD2-CB 3.68Å; Y81-I144 HydrophobicContact CD2-CG2 3.45Å; Y81-I144 VanDerWaalsContact CD2-CG2 3.45Å; Y81-I144 HydrophobicContact CE2-CB 3.86Å; Y81-I144 HydrophobicContact CE2-CG2 4.13Å; Y81-I144 HydrophobicContact CG-CG2 4.01Å; Y81-N170 HydrophobicContact CE1-CB 4.09Å; Y81-E176 VanDerWaalsContact CE2-OE1 3.32Å; Y81-E176 WeakPolarHBondContact CE2-OE1 3.41Å; Y81-E176 VanDerWaalsContact CZ-OE1 3.3Å; Y81-E176 PolarHBondContact OH-OE1 3.41Å; Y81-E176 PolarHBondContact OH-OE2 2.87Å; Y81-E176 VanDerWaalsContact OH-OE2 3.12Å | ||
| 82 | G | 83.9 | Confident | 95 | Very high | 61 Ų | 61 | 50.1 Ų | 50.1 | 63% | 0.629 | 26% | 0.255 | S | S | * | . | S | Bend | trans | 102.8 | -170 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 83 | F | 83.9 | Confident | 95 | Very high | 223 Ų | 223 | 55.6 Ų | 55.6 | 98% | 0.978 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -93 | -19.9 | -178.6 | -63.8 | -76.4 | 0 | 0 | 0 | 113.6 | ||
| 84 | V | 88.4 | Confident | 94.9 | Very high | 116 Ų | 116 | 55.5 Ų | 55.5 | 70% | 0.703 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -104.7 | 167.4 | 177.3 | -65.8 | 0 | 0 | 0 | 0 | 110 | ||
| 85 | R | 93.9 | Very high | 94.6 | Very high | 139 Ų | 139 | 54 Ų | 54 | 53% | 0.525 | 28% | 0.275 | S | S | . | . | trans | -64.5 | 142.7 | 168.1 | -63 | -174.2 | 77.8 | -179.8 | -0.7 | 108.1 | S106 G107 | R85-S106 PolarHBondContact NE-O 3.44Å; R85-S106 PolarHBondContact NH2-O 3.19Å; R85-G107 PolarHBondContact NH2-O 2.64Å | ||
| 86 | M | 95.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | trans | -70.9 | 154.3 | 176.8 | -60.9 | 179.6 | -54.3 | 0 | 0 | 110.7 | L77 K79 N80 Y81 P88 S106 G107 G108 D134 I144 | L77-M86 HydrophobicContact CD1-CE 3.6Å; K79-M86 WeakPolarHBondContact O-CE 3.48Å; N80-M86 HydrophobicContact CB-CG 4.4Å; Y81-M86 HydrophobicContact CD2-SD 3.66Å; Y81-M86 HydrophobicContact CG-SD 4.26Å; Y81-M86 PolarHBondContact N-SD 2.94Å; M86-P88 WeakPolarHBondContact O-CD 3.2Å; M86-S106 CarbonylContact O-C 3.56Å; M86-S106 WeakPolarHBondContact O-CA 3.41Å; M86-G107 PolarHBondContact O-N 3.19Å; M86-G108 WeakPolarHBondContact CE-O 3.49Å; M86-G108 PolarHBondContact O-N 2.93Å; M86-D134 WeakPolarHBondContact CA-OD1 3.39Å; M86-D134 HydrophobicContact CB-CB 4.37Å; M86-D134 VanDerWaalsContact CB-OD1 3.22Å; M86-D134 WeakPolarHBondContact CB-OD1 3.47Å; M86-D134 HydrophobicContact CG-CB 4.44Å; M86-I144 HydrophobicContact CE-CD1 3.79Å; M86-I144 HydrophobicContact SD-CD1 3.68Å; M86-I144 HydrophobicContact SD-CG2 4.09Å | ||
| 87 | D | 97.2 | Very high | 94 | Very high | 50 Ų | 50 | 59.3 Ų | 59.3 | 27% | 0.267 | 32% | 0.32 | S | S | . | . | trans | -112.6 | 77.7 | 173.9 | -61.1 | -30.6 | 0 | 0 | 0 | 108.5 | T103 S106 D134 E135 | D87-T103 VanDerWaalsContact C-CG2 3.48Å; D87-T103 HydrophobicContact CB-CG2 3.72Å; D87-T103 WeakPolarHBondContact O-CG2 3.26Å; D87-S106 WeakPolarHBondContact OD1-CA 3.34Å; D87-S106 PolarHBondContact OD1-N 3.02Å; D87-D134 PolarHBondContact N-OD1 3.44Å; D87-E135 HydrophobicContact CB-CB 4.27Å; D87-E135 WeakPolarHBondContact O-CB 3.43Å; D87-E135 PolarHBondContact O-N 2.95Å | ||
| 88 | P | 98.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 146.8 | -166.2 | 33.7 | -40.2 | 0 | 0 | 0 | 115 | M86 D104 P111 W113 I132 F133 I144 | M86-P88 WeakPolarHBondContact O-CD 3.2Å; P88-D104 VanDerWaalsContact CD-O 3.31Å; P88-D104 WeakPolarHBondContact CD-O 3.46Å; P88-D104 PolarHBondContact O-N 3.25Å; P88-P111 HydrophobicContact CB-CB 4.27Å; P88-P111 HydrophobicContact CB-CG 4.25Å; P88-P111 HydrophobicContact CG-CB 3.24Å; P88-P111 HydrophobicContact CG-CG 3.6Å; P88-W113 HydrophobicContact CB-CZ2 4.14Å; P88-W113 HydrophobicContact CG-CZ2 4.37Å; P88-W113 PolarHBondContact O-NE1 3.16Å; P88-I132 HydrophobicContact CB-CG2 4.06Å; P88-F133 CarbonylContact C-O 3.41Å; P88-F133 WeakPolarHBondContact CA-O 3.43Å; P88-I144 HydrophobicContact CB-CD1 4.19Å |
| 89 | Y | 98.7 | Very high | 94 | Very high | 9 Ų | 9 | 62 Ų | 62 | 4% | 0.035 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 157.6 | 169 | 70.7 | -87.2 | 0 | 0 | 0 | 111.5 | R91 I132 F133 E135 D141 | Y89-R91 HydrophobicContact CD2-CG 4.29Å; Y89-R91 HydrophobicContact CE2-CG 3.77Å; Y89-R91 PolarHBondContact OH-NH1 2.8Å; Y89-R91 PolarHBondContact OH-NH2 2.88Å; Y89-I132 CarbonylContact O-C 3.26Å; Y89-I132 WeakPolarHBondContact O-CA 3.17Å; Y89-F133 HydrophobicContact CD1-CB 3.91Å; Y89-F133 HydrophobicContact CD2-CB 4.44Å; Y89-F133 HydrophobicContact CE1-CB 3.39Å; Y89-F133 HydrophobicContact CE1-CG 4.32Å; Y89-F133 HydrophobicContact CE2-CB 3.97Å; Y89-F133 HydrophobicContact CE2-CD2 4.26Å; Y89-F133 HydrophobicContact CE2-CG 4.28Å; Y89-F133 HydrophobicContact CG-CB 4.41Å; Y89-F133 VanDerWaalsContact CZ-CB 3.43Å; Y89-F133 AromaticContact CZ-CG 3.88Å; Y89-F133 PolarHBondContact N-O 3.1Å; Y89-F133 PolarHBondContact O-N 3.2Å; Y89-E135 HydrophobicContact CD1-CB 4.18Å; Y89-E135 HydrophobicContact CE1-CB 4.18Å; Y89-D141 HydrophobicContact CE1-CB 4.37Å; Y89-D141 WeakPolarHBondContact CE1-OD2 3.44Å; Y89-D141 PolarHBondContact OH-OD2 3.09Å |
| 90 | C | 98.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 143.8 | 176.9 | -71.3 | 0 | 0 | 0 | 0 | 111.9 | M72 E100 T101 W113 E131 | M72-C90 HydrophobicContact CG-CB 4.45Å; M72-C90 HydrophobicContact SD-CB 3.62Å; C90-E100 CarbonylContact O-C 3.46Å; C90-E100 VanDerWaalsContact O-CA 3.27Å; C90-E100 WeakPolarHBondContact O-CA 3.21Å; C90-T101 HydrophobicContact CB-CG2 3.82Å; C90-T101 PolarHBondContact N-OG1 3.27Å; C90-T101 PolarHBondContact O-N 3.1Å; C90-W113 WeakPolarHBondContact SG-CH2 3.48Å; C90-W113 WeakPolarHBondContact SG-CZ3 3.33Å; C90-E131 CarbonylContact C-O 3.5Å; C90-E131 VanDerWaalsContact CA-O 3.31Å; C90-E131 WeakPolarHBondContact CA-O 3.34Å |
| 91 | R | 98.5 | Very high | 94.6 | Very high | 60 Ų | 60 | 59.5 Ų | 59.5 | 23% | 0.226 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 125.1 | 161.6 | -61.6 | -168.6 | 157.6 | 125.8 | 5.6 | 109.4 | Y89 L98 F99 E100 L130 E131 F133 | Y89-R91 HydrophobicContact CD2-CG 4.29Å; Y89-R91 HydrophobicContact CE2-CG 3.77Å; Y89-R91 PolarHBondContact OH-NH1 2.8Å; Y89-R91 PolarHBondContact OH-NH2 2.88Å; R91-L98 HydrophobicContact CB-CD1 4.19Å; R91-F99 CarbonylContact C-O 3.55Å; R91-F99 VanDerWaalsContact CA-O 3.29Å; R91-F99 WeakPolarHBondContact CA-O 3.3Å; R91-E100 HydrophobicContact CG-CG 4.08Å; R91-E100 IonicContact CZ-OE1 2.82Å; R91-E100 VanDerWaalsContact CZ-OE1 3.28Å; R91-E100 IonicContact NE-OE1 3.13Å; R91-E100 PolarHBondContact NE-OE1 3.01Å; R91-E100 IonicContact NH2-OE1 3.66Å; R91-E100 PolarHBondContact NH2-OE1 3.36Å; R91-L130 CarbonylContact O-C 3.48Å; R91-L130 WeakPolarHBondContact O-CA 3.4Å; R91-E131 HydrophobicContact CB-CB 4.38Å; R91-E131 PolarHBondContact N-O 2.86Å; R91-E131 PolarHBondContact O-N 3.3Å; R91-F133 HydrophobicContact CB-CE2 4.44Å; R91-F133 HydrophobicContact CG-CD2 3.94Å; R91-F133 HydrophobicContact CG-CE2 3.94Å; R91-F133 VanDerWaalsContact NH1-CZ 3.33Å |
| 92 | L | 98.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 120.6 | 178.3 | -174.7 | 71.9 | 0 | 0 | 0 | 110.5 | V70 M72 V94 F99 I117 V128 L130 | V70-L92 HydrophobicContact CB-CD2 3.75Å; V70-L92 HydrophobicContact CG1-CD2 3.68Å; V70-L92 HydrophobicContact CG2-CD2 4Å; M72-L92 HydrophobicContact CE-CB 4.4Å; M72-L92 HydrophobicContact SD-CB 3.83Å; M72-L92 HydrophobicContact SD-CD2 4.45Å; L92-V94 HydrophobicContact CD2-CG2 4.24Å; L92-V94 HydrophobicContact CG-CG2 4.32Å; L92-F99 PolarHBondContact N-O 2.92Å; L92-F99 PolarHBondContact O-N 2.88Å; L92-I117 HydrophobicContact CD2-CD1 4.03Å; L92-I117 HydrophobicContact CD2-CG1 3.87Å; L92-V128 HydrophobicContact CD1-CB 3.97Å; L92-V128 HydrophobicContact CD1-CG2 3.9Å; L92-L130 HydrophobicContact CD1-CB 3.95Å; L92-L130 HydrophobicContact CD1-CD1 4.3Å |
| 93 | R | 98.2 | Very high | 95.8 | Very high | 115 Ų | 115 | 61.3 Ų | 61.3 | 43% | 0.434 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 123 | 173.8 | -169.5 | 176.4 | 69 | -131.1 | -2 | 110.8 | G95 V97 L98 V128 Y129 | R93-G95 WeakPolarHBondContact CG-O 3.39Å; R93-V97 WeakPolarHBondContact CA-O 3.42Å; R93-L98 HydrophobicContact CB-CD1 3.96Å; R93-V128 WeakPolarHBondContact O-CA 3.39Å; R93-Y129 PolarHBondContact N-O 3.06Å; R93-Y129 PolarHBondContact O-N 2.95Å |
| 94 | V | 95.9 | Very high | 96.4 | Very high | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.012 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 107 | 172.1 | -174.3 | 0 | 0 | 0 | 0 | 107.8 | L68 L92 A96 V97 F99 L121 V128 | L68-V94 HydrophobicContact CD2-CG1 3.92Å; L68-V94 HydrophobicContact CD2-CG2 4.25Å; L92-V94 HydrophobicContact CD2-CG2 4.24Å; L92-V94 HydrophobicContact CG-CG2 4.32Å; V94-A96 PolarHBondContact O-N 2.73Å; V94-A96 VanDerWaalsContact O-N 3.1Å; V94-V97 PolarHBondContact N-O 2.86Å; V94-V97 PolarHBondContact O-N 2.88Å; V94-F99 HydrophobicContact CB-CE2 4.44Å; V94-F99 HydrophobicContact CG2-CD2 4.46Å; V94-F99 HydrophobicContact CG2-CE2 4.29Å; V94-L121 HydrophobicContact CG1-CD1 4.25Å; V94-V128 HydrophobicContact CG1-CG1 4.47Å; V94-V128 HydrophobicContact CG2-CG1 3.9Å |
| 95 | G | 92.1 | Very high | 96.8 | Very high | 26 Ų | 26 | 51.4 Ų | 51.4 | 27% | 0.268 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | -115.2 | -172 | 0 | 0 | 0 | 0 | 0 | 112 | R93 | R93-G95 WeakPolarHBondContact CG-O 3.39Š|
| 96 | A | 91.1 | Very high | 96.9 | Very high | 106 Ų | 106 | 47.8 Ų | 47.8 | 88% | 0.876 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -7.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | V94 | V94-A96 PolarHBondContact O-N 2.73Å; V94-A96 VanDerWaalsContact O-N 3.1Å |
| 97 | V | 93.9 | Very high | 97 | Very high | 73 Ų | 73 | 48 Ų | 48 | 44% | 0.442 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 137.6 | -175.2 | -172.4 | 0 | 0 | 0 | 0 | 109.9 | R93 V94 F99 | R93-V97 WeakPolarHBondContact CA-O 3.42Å; V94-V97 PolarHBondContact N-O 2.86Å; V94-V97 PolarHBondContact O-N 2.88Å; V97-F99 HydrophobicContact CB-CE2 4.01Å; V97-F99 HydrophobicContact CB-CZ 4.31Å; V97-F99 HydrophobicContact CG1-CD2 4.23Å; V97-F99 HydrophobicContact CG1-CE1 4.15Å; V97-F99 HydrophobicContact CG1-CE2 3.54Å; V97-F99 HydrophobicContact CG1-CZ 3.5Å; V97-F99 VanDerWaalsContact CG1-CZ 3.5Å |
| 98 | L | 97.1 | Very high | 97 | Very high | 93 Ų | 93 | 45.7 Ų | 45.7 | 49% | 0.487 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 133.9 | 176.1 | -171.1 | 70.2 | 0 | 0 | 0 | 109.5 | R91 R93 | R91-L98 HydrophobicContact CB-CD1 4.19Å; R93-L98 HydrophobicContact CB-CD1 3.96Å |
| 99 | F | 98.1 | Very high | 96.9 | Very high | 46 Ų | 46 | 50.1 Ų | 50.1 | 20% | 0.202 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 153.2 | 174.5 | -58.2 | -89.3 | 0 | 0 | 0 | 110 | R91 L92 V94 V97 I117 | R91-F99 CarbonylContact C-O 3.55Å; R91-F99 VanDerWaalsContact CA-O 3.29Å; R91-F99 WeakPolarHBondContact CA-O 3.3Å; L92-F99 PolarHBondContact N-O 2.92Å; L92-F99 PolarHBondContact O-N 2.88Å; V94-F99 HydrophobicContact CB-CE2 4.44Å; V94-F99 HydrophobicContact CG2-CD2 4.46Å; V94-F99 HydrophobicContact CG2-CE2 4.29Å; V97-F99 HydrophobicContact CB-CE2 4.01Å; V97-F99 HydrophobicContact CB-CZ 4.31Å; V97-F99 HydrophobicContact CG1-CD2 4.23Å; V97-F99 HydrophobicContact CG1-CE1 4.15Å; V97-F99 HydrophobicContact CG1-CE2 3.54Å; V97-F99 HydrophobicContact CG1-CZ 3.5Å; V97-F99 VanDerWaalsContact CG1-CZ 3.5Å; F99-I117 HydrophobicContact CB-CB 4.27Å; F99-I117 HydrophobicContact CB-CG1 4.4Å; F99-I117 HydrophobicContact CB-CG2 3.87Å; F99-I117 HydrophobicContact CD1-CB 4.02Å; F99-I117 HydrophobicContact CD1-CG2 4.26Å; F99-I117 HydrophobicContact CD2-CD1 3.96Å; F99-I117 HydrophobicContact CD2-CG1 4.31Å; F99-I117 HydrophobicContact CE2-CD1 4.05Å; F99-I117 HydrophobicContact CG-CB 4.05Å; F99-I117 HydrophobicContact CG-CD1 4.29Å; F99-I117 HydrophobicContact CG-CG1 4.19Å; F99-I117 HydrophobicContact CG-CG2 4.19Å; F99-I117 HydrophobicContact CZ-CD1 4.43Å |
| 100 | E | 98 | Very high | 96.9 | Very high | 96 Ų | 96 | 52.7 Ų | 52.7 | 45% | 0.449 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 148.9 | 177.1 | -54 | -169.6 | 154.3 | 0 | 0 | 110.9 | C90 R91 | C90-E100 CarbonylContact O-C 3.46Å; C90-E100 VanDerWaalsContact O-CA 3.27Å; C90-E100 WeakPolarHBondContact O-CA 3.21Å; R91-E100 HydrophobicContact CG-CG 4.08Å; R91-E100 IonicContact CZ-OE1 2.82Å; R91-E100 VanDerWaalsContact CZ-OE1 3.28Å; R91-E100 IonicContact NE-OE1 3.13Å; R91-E100 PolarHBondContact NE-OE1 3.01Å; R91-E100 IonicContact NH2-OE1 3.66Å; R91-E100 PolarHBondContact NH2-OE1 3.36Å |
| 101 | T | 98.6 | Very high | 96.9 | Very high | 9 Ų | 9 | 52.7 Ų | 52.7 | 6% | 0.055 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -88.9 | 158.6 | 167.1 | 67 | 0 | 0 | 0 | 0 | 110.1 | M72 C90 W113 R115 | M72-T101 HydrophobicContact CB-CG2 3.98Å; M72-T101 HydrophobicContact CE-CG2 3.48Å; M72-T101 VanDerWaalsContact CE-CG2 3.48Å; M72-T101 HydrophobicContact CG-CG2 4.45Å; M72-T101 HydrophobicContact SD-CG2 3.62Å; C90-T101 HydrophobicContact CB-CG2 3.82Å; C90-T101 PolarHBondContact N-OG1 3.27Å; C90-T101 PolarHBondContact O-N 3.1Å; T101-W113 HydrophobicContact CG2-CB 4.14Å; T101-W113 HydrophobicContact CG2-CG 4.24Å; T101-R115 HydrophobicContact CG2-CB 3.83Å; T101-R115 HydrophobicContact CG2-CG 4.13Å |
| 102 | P | 98.1 | Very high | 96.9 | Very high | 87 Ų | 87 | 54.3 Ų | 54.3 | 57% | 0.565 | 31% | 0.312 | S | S | * | . | P | Polyproline II helix | trans | -54.9 | 153.5 | 157.1 | -20.3 | 33.2 | 0 | 0 | 0 | 110.5 | ||
| 103 | T | 98.2 | Very high | 96.9 | Very high | 36 Ų | 36 | 55.6 Ų | 55.6 | 22% | 0.221 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 141.7 | 169.5 | -57.1 | 0 | 0 | 0 | 0 | 110.7 | D87 P105 E135 | D87-T103 VanDerWaalsContact C-CG2 3.48Å; D87-T103 HydrophobicContact CB-CG2 3.72Å; D87-T103 WeakPolarHBondContact O-CG2 3.26Å; T103-P105 VanDerWaalsContact O-CD 3.29Å; T103-P105 WeakPolarHBondContact O-CD 3.36Å; T103-E135 WeakPolarHBondContact CB-OE2 3.4Å; T103-E135 HydrophobicContact CG2-CB 4.07Å; T103-E135 VanDerWaalsContact CG2-OE2 3.3Å; T103-E135 WeakPolarHBondContact CG2-OE2 3.42Å; T103-E135 PolarHBondContact OG1-OE2 2.82Å |
| 104 | D | 98.2 | Very high | 96.8 | Very high | 34 Ų | 34 | 55.6 Ų | 55.6 | 18% | 0.182 | 33% | 0.326 | C | S | . | . | trans | -94.5 | 97.9 | 167.2 | -178.5 | 16 | 0 | 0 | 0 | 109.3 | P88 S106 G107 P111 H112 | P88-D104 VanDerWaalsContact CD-O 3.31Å; P88-D104 WeakPolarHBondContact CD-O 3.46Å; P88-D104 PolarHBondContact O-N 3.25Å; D104-S106 PolarHBondContact O-N 2.93Å; D104-G107 PolarHBondContact O-N 2.78Å; D104-G107 VanDerWaalsContact O-N 3.13Å; D104-G107 WeakPolarHBondContact OD2-CA 3.24Å; D104-P111 HydrophobicContact CB-CB 4.13Å; D104-P111 WeakPolarHBondContact OD2-CA 3.21Å; D104-P111 WeakPolarHBondContact OD2-CB 3.21Å; D104-H112 PolarHBondContact OD2-N 3.09Å | ||
| 105 | P | 96.6 | Very high | 96.9 | Very high | 98 Ų | 98 | 61.6 Ų | 61.6 | 64% | 0.636 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | 125.4 | -173 | -18.5 | 33.6 | 0 | 0 | 0 | 110.7 | T103 G107 | T103-P105 VanDerWaalsContact O-CD 3.29Å; T103-P105 WeakPolarHBondContact O-CD 3.36Å; P105-G107 PolarHBondContact O-N 3.37Å |
| 106 | S | 95.5 | Very high | 97.2 | Very high | 62 Ų | 62 | 62.4 Ų | 62.4 | 43% | 0.434 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 23.4 | -177.2 | -65.5 | 0 | 0 | 0 | 0 | 114.4 | R85 M86 D87 D104 G108 | R85-S106 PolarHBondContact NE-O 3.44Å; R85-S106 PolarHBondContact NH2-O 3.19Å; M86-S106 CarbonylContact O-C 3.56Å; M86-S106 WeakPolarHBondContact O-CA 3.41Å; D87-S106 WeakPolarHBondContact OD1-CA 3.34Å; D87-S106 PolarHBondContact OD1-N 3.02Å; D104-S106 PolarHBondContact O-N 2.93Å; S106-G108 PolarHBondContact O-N 3.22Å |
| 107 | G | 97 | Very high | 97.4 | Very high | 7 Ų | 7 | 57.6 Ų | 57.6 | 7% | 0.072 | 31% | 0.308 | C | S | . | . | trans | -56.7 | -32.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R85 M86 D104 P105 K109 T110 | R85-G107 PolarHBondContact NH2-O 2.64Å; M86-G107 PolarHBondContact O-N 3.19Å; D104-G107 PolarHBondContact O-N 2.78Å; D104-G107 VanDerWaalsContact O-N 3.13Å; D104-G107 WeakPolarHBondContact OD2-CA 3.24Å; P105-G107 PolarHBondContact O-N 3.37Å; G107-K109 PolarHBondContact O-N 3.47Å; G107-T110 PolarHBondContact O-N 3.34Å | ||
| 108 | G | 97 | Very high | 97.5 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | -122 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | N80 M86 S106 | N80-G108 WeakPolarHBondContact OD1-CA 3.23Å; M86-G108 WeakPolarHBondContact CE-O 3.49Å; M86-G108 PolarHBondContact O-N 2.93Å; S106-G108 PolarHBondContact O-N 3.22Å |
| 109 | K | 97.8 | Very high | 97.3 | Very high | 94 Ų | 94 | 55.3 Ų | 55.3 | 41% | 0.409 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -15.2 | -177.6 | -66.3 | -168.1 | -59 | 171.6 | 0 | 114.7 | N76 L77 N80 G107 P111 | N76-K109 CarbonylContact C-O 3.6Å; L77-K109 HydrophobicContact CB-CB 4.46Å; L77-K109 PolarHBondContact N-O 3.39Å; L77-K109 WeakPolarHBondContact O-CB 3.25Å; N80-K109 PolarHBondContact OD1-N 2.83Å; G107-K109 PolarHBondContact O-N 3.47Å; K109-P111 VanDerWaalsContact C-CD 3.42Å |
| 110 | T | 98.1 | Very high | 97.1 | Very high | 63 Ų | 63 | 57 Ų | 57 | 39% | 0.387 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -130.7 | 62.6 | -172.2 | 56.7 | 0 | 0 | 0 | 0 | 110.6 | A75 N76 G107 H112 | A75-T110 VanDerWaalsContact O-CA 3.29Å; A75-T110 WeakPolarHBondContact O-CA 3.49Å; N76-T110 WeakPolarHBondContact OD1-CG2 3.46Å; G107-T110 PolarHBondContact O-N 3.34Å; T110-H112 PolarHBondContact O-CE1 3.28Å; T110-H112 PolarHBondContact O-ND1 2.92Å |
| 111 | P | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | trans | -77.2 | 153.7 | -176.4 | 33 | -38.2 | 0 | 0 | 0 | 114 | Q74 A75 P88 D104 K109 W113 | Q74-P111 CarbonylContact C-O 3.59Å; Q74-P111 WeakPolarHBondContact CA-O 3.35Å; Q74-P111 VanDerWaalsContact CB-O 3.31Å; Q74-P111 WeakPolarHBondContact CB-O 3.44Å; A75-P111 HydrophobicContact CB-CG 3.99Å; A75-P111 PolarHBondContact N-O 2.96Å; A75-P111 WeakPolarHBondContact O-CD 3.42Å; P88-P111 HydrophobicContact CB-CB 4.27Å; P88-P111 HydrophobicContact CB-CG 4.25Å; P88-P111 HydrophobicContact CG-CB 3.24Å; P88-P111 HydrophobicContact CG-CG 3.6Å; D104-P111 HydrophobicContact CB-CB 4.13Å; D104-P111 WeakPolarHBondContact OD2-CA 3.21Å; D104-P111 WeakPolarHBondContact OD2-CB 3.21Å; K109-P111 VanDerWaalsContact C-CD 3.42Å; P111-W113 HydrophobicContact CB-CH2 4.09Å; P111-W113 HydrophobicContact CB-CZ2 3.72Å; P111-W113 HydrophobicContact CG-CH2 3.49Å; P111-W113 VanDerWaalsContact CG-CH2 3.49Å; P111-W113 HydrophobicContact CG-CZ2 3.56Å; P111-W113 HydrophobicContact CG-CZ3 4.28Å | ||
| 112 | H | 98.4 | Very high | 96.7 | Very high | 93 Ų | 93 | 54.1 Ų | 54.1 | 43% | 0.431 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 126.3 | 179.7 | -57.3 | 76 | 0 | 0 | 0 | 110.4 | Q74 D104 T110 | Q74-H112 PolarHBondContact OE1-NE2 3.35Å; D104-H112 PolarHBondContact OD2-N 3.09Å; T110-H112 PolarHBondContact O-CE1 3.28Å; T110-H112 PolarHBondContact O-ND1 2.92Å |
| 113 | W | 98.5 | Very high | 96.4 | Very high | 28 Ų | 28 | 56.4 Ų | 56.4 | 11% | 0.106 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | -39 | 179.7 | -53.9 | -71.1 | 0 | 0 | 0 | 112.8 | A73 A75 P88 C90 T101 P111 R115 I132 | A73-W113 PolarHBondContact O-N 3.21Å; A75-W113 HydrophobicContact CB-CH2 3.87Å; A75-W113 HydrophobicContact CB-CZ3 3.95Å; P88-W113 HydrophobicContact CB-CZ2 4.14Å; P88-W113 HydrophobicContact CG-CZ2 4.37Å; P88-W113 PolarHBondContact O-NE1 3.16Å; C90-W113 WeakPolarHBondContact SG-CH2 3.48Å; C90-W113 WeakPolarHBondContact SG-CZ3 3.33Å; T101-W113 HydrophobicContact CG2-CB 4.14Å; T101-W113 HydrophobicContact CG2-CG 4.24Å; P111-W113 HydrophobicContact CB-CH2 4.09Å; P111-W113 HydrophobicContact CB-CZ2 3.72Å; P111-W113 HydrophobicContact CG-CH2 3.49Å; P111-W113 VanDerWaalsContact CG-CH2 3.49Å; P111-W113 HydrophobicContact CG-CZ2 3.56Å; P111-W113 HydrophobicContact CG-CZ3 4.28Å; W113-R115 HydrophobicContact CB-CB 4.45Å; W113-R115 PolarHBondContact O-N 3.09Å; W113-R115 VanDerWaalsContact O-N 3.11Å; W113-I132 HydrophobicContact CH2-CD1 4.16Å; W113-I132 HydrophobicContact CH2-CG2 4.21Å; W113-I132 HydrophobicContact CZ2-CG2 4.19Å |
| 114 | N | 97.3 | Very high | 96.1 | Very high | 115 Ų | 115 | 57.9 Ų | 57.9 | 62% | 0.615 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 46.4 | 40.7 | -175.8 | -65.3 | -41.6 | 0 | 0 | 0 | 113.2 | M72 A73 | M72-N114 PolarHBondContact O-N 2.97Å; M72-N114 VanDerWaalsContact O-N 3.11Å; A73-N114 PolarHBondContact O-N 3.29Å; A73-N114 VanDerWaalsContact O-N 3.07Å |
| 115 | R | 97.9 | Very high | 96 | Very high | 127 Ų | 127 | 58.4 Ų | 58.4 | 48% | 0.479 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 115.9 | -176.5 | 179.7 | 61.1 | 178.7 | 148.9 | 0.6 | 110.5 | T71 M72 T101 W113 I117 | T71-R115 WeakPolarHBondContact CA-O 3.43Å; M72-R115 PolarHBondContact N-O 3.35Å; M72-R115 PolarHBondContact O-N 3.2Å; M72-R115 VanDerWaalsContact O-N 3.11Å; T101-R115 HydrophobicContact CG2-CB 3.83Å; T101-R115 HydrophobicContact CG2-CG 4.13Å; W113-R115 HydrophobicContact CB-CB 4.45Å; W113-R115 PolarHBondContact O-N 3.09Å; W113-R115 VanDerWaalsContact O-N 3.11Å; R115-I117 HydrophobicContact CG-CG2 4.43Å |
| 116 | T | 97.7 | Very high | 96 | Very high | 43 Ų | 43 | 58.5 Ų | 58.5 | 26% | 0.264 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 128.9 | 169.2 | -53.6 | 0 | 0 | 0 | 0 | 110.6 | N69 V70 T71 | N69-T116 HydrophobicContact CB-CG2 4.41Å; V70-T116 CarbonylContact O-C 3.14Å; V70-T116 WeakPolarHBondContact O-CA 3.48Å; T71-T116 PolarHBondContact OG1-OG1 3.5Å |
| 117 | I | 96 | Very high | 96.1 | Very high | 6 Ų | 6 | 56.7 Ų | 56.7 | 3% | 0.031 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 152.4 | 168.7 | 68.7 | 81.3 | 0 | 0 | 0 | 109.4 | N69 V70 M72 L92 F99 R115 | N69-I117 WeakPolarHBondContact CA-O 3.35Å; V70-I117 HydrophobicContact CB-CD1 3.97Å; V70-I117 HydrophobicContact CB-CG1 3.99Å; V70-I117 HydrophobicContact CG2-CD1 3.98Å; V70-I117 PolarHBondContact N-O 3.26Å; V70-I117 PolarHBondContact O-N 3.06Å; M72-I117 HydrophobicContact CE-CG1 4.29Å; M72-I117 HydrophobicContact CE-CG2 3.52Å; L92-I117 HydrophobicContact CD2-CD1 4.03Å; L92-I117 HydrophobicContact CD2-CG1 3.87Å; F99-I117 HydrophobicContact CB-CB 4.27Å; F99-I117 HydrophobicContact CB-CG1 4.4Å; F99-I117 HydrophobicContact CB-CG2 3.87Å; F99-I117 HydrophobicContact CD1-CB 4.02Å; F99-I117 HydrophobicContact CD1-CG2 4.26Å; F99-I117 HydrophobicContact CD2-CD1 3.96Å; F99-I117 HydrophobicContact CD2-CG1 4.31Å; F99-I117 HydrophobicContact CE2-CD1 4.05Å; F99-I117 HydrophobicContact CG-CB 4.05Å; F99-I117 HydrophobicContact CG-CD1 4.29Å; F99-I117 HydrophobicContact CG-CG1 4.19Å; F99-I117 HydrophobicContact CG-CG2 4.19Å; F99-I117 HydrophobicContact CZ-CD1 4.43Å; R115-I117 HydrophobicContact CG-CG2 4.43Å |
| 118 | H | 94.6 | Very high | 96.1 | Very high | 110 Ų | 110 | 56.4 Ų | 56.4 | 51% | 0.509 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 124.5 | 177.7 | -54.3 | -77.1 | 0 | 0 | 0 | 108.1 | N69 | N69-H118 PolarHBondContact OD1-ND1 3.31Å |
| 119 | S | 93.6 | Very high | 96.2 | Very high | 7 Ų | 7 | 58.2 Ų | 58.2 | 5% | 0.049 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 141.8 | -177.5 | -169.1 | 0 | 0 | 0 | 0 | 110.8 | R67 L68 L121 | R67-S119 CarbonylContact C-O 3.59Å; R67-S119 WeakPolarHBondContact CA-O 3.4Å; L68-S119 PolarHBondContact N-O 3Å; L68-S119 PolarHBondContact O-N 3.45Å; S119-L121 PolarHBondContact O-N 3.16Å |
| 120 | Y | 93.8 | Very high | 96.3 | Very high | 82 Ų | 82 | 53.8 Ų | 53.8 | 32% | 0.322 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 120.8 | 165.5 | -72.5 | -55.6 | 0 | 0 | 0 | 108.7 | L60 P61 T64 P122 I188 | L60-Y120 HydrophobicContact CD1-CD1 3.74Å; L60-Y120 HydrophobicContact CD1-CE1 3.58Å; L60-Y120 HydrophobicContact CD1-CG 4.3Å; P61-Y120 HydrophobicContact CG-CD2 4.08Å; P61-Y120 HydrophobicContact CG-CG 4.42Å; T64-Y120 HydrophobicContact CG2-CD1 3.86Å; T64-Y120 HydrophobicContact CG2-CG 4.09Å; Y120-P122 WeakPolarHBondContact O-CD 3.4Å; Y120-I188 HydrophobicContact CD1-CD1 4.41Å |
| 121 | L | 95.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 110.2 | -179.7 | -179.3 | 61.2 | 0 | 0 | 0 | 109.9 | T64 R65 G66 L68 V94 S119 I125 L151 F156 L185 | T64-L121 WeakPolarHBondContact CG2-O 3.49Å; R65-L121 PolarHBondContact N-O 2.8Å; G66-L121 PolarHBondContact O-N 3.46Å; L68-L121 HydrophobicContact CB-CB 4.14Å; L68-L121 HydrophobicContact CD2-CD1 4.45Å; V94-L121 HydrophobicContact CG1-CD1 4.25Å; S119-L121 PolarHBondContact O-N 3.16Å; L121-I125 HydrophobicContact CD1-CB 3.86Å; L121-I125 HydrophobicContact CD1-CG2 3.78Å; L121-L151 HydrophobicContact CD1-CD1 3.77Å; L121-L151 HydrophobicContact CD2-CD1 3.78Å; L121-L151 HydrophobicContact CG-CD1 4.46Å; L121-F156 HydrophobicContact CD2-CE1 3.65Å; L121-F156 HydrophobicContact CD2-CZ 3.99Å; L121-L185 HydrophobicContact CB-CD1 4.14Å; L121-L185 HydrophobicContact CD2-CD1 3.85Å |
| 122 | P | 92.5 | Very high | 96.3 | Very high | 45 Ų | 45 | 52.3 Ų | 52.3 | 29% | 0.292 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 149.6 | 176.7 | -14.9 | 31.7 | 0 | 0 | 0 | 111.1 | R63 Y120 I125 | R63-P122 CarbonylContact O-C 3.46Å; Y120-P122 WeakPolarHBondContact O-CD 3.4Å; P122-I125 HydrophobicContact CB-CG1 4.06Å; P122-I125 HydrophobicContact CG-CG1 4.13Å; P122-I125 WeakPolarHBondContact O-CB 3.49Å; P122-I125 PolarHBondContact O-N 2.81Å |
| 123 | E | 91.3 | Very high | 96.3 | Very high | 134 Ų | 134 | 49 Ų | 49 | 63% | 0.626 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 140.6 | 170.9 | -169.2 | 179.3 | -172.4 | 0 | 0 | 110.7 | R63 I125 | R63-E123 HydrophobicContact CB-CB 3.93Å; R63-E123 WeakPolarHBondContact O-CB 3.46Å; R63-E123 PolarHBondContact O-N 3.08Å; E123-I125 VanDerWaalsContact C-N 3.28Å; E123-I125 PolarHBondContact O-N 2.84Å |
| 124 | G | 93.1 | Very high | 96.2 | Very high | 67 Ų | 67 | 48 Ų | 48 | 69% | 0.691 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.7 | -8.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 125 | I | 95.3 | Very high | 96.2 | Very high | 46 Ų | 46 | 46.9 Ų | 46.9 | 24% | 0.236 | 24% | 0.242 | C | C | . | . | trans | -86.1 | 118.3 | 169.2 | -56.2 | -56.8 | 0 | 0 | 0 | 109.1 | L121 P122 E123 S127 | L121-I125 HydrophobicContact CD1-CB 3.86Å; L121-I125 HydrophobicContact CD1-CG2 3.78Å; P122-I125 HydrophobicContact CB-CG1 4.06Å; P122-I125 HydrophobicContact CG-CG1 4.13Å; P122-I125 WeakPolarHBondContact O-CB 3.49Å; P122-I125 PolarHBondContact O-N 2.81Å; E123-I125 VanDerWaalsContact C-N 3.28Å; E123-I125 PolarHBondContact O-N 2.84Å; I125-S127 WeakPolarHBondContact CG2-O 3.38Å | ||
| 126 | D | 96.3 | Very high | 96 | Very high | 100 Ų | 100 | 44.2 Ų | 44.2 | 54% | 0.535 | 23% | 0.232 | S | C | . | . | trans | -119.6 | 2.2 | -176.5 | 65.1 | -0.7 | 0 | 0 | 0 | 113.2 | L151 | D126-L151 PolarHBondContact O-N 2.81Š| ||
| 127 | S | 97.9 | Very high | 95.4 | Very high | 24 Ų | 24 | 46.5 Ų | 46.5 | 17% | 0.168 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 156 | -173.1 | 47.8 | 0 | 0 | 0 | 0 | 111.4 | I125 H148 I149 | I125-S127 WeakPolarHBondContact CG2-O 3.38Å; S127-H148 PolarHBondContact OG-CE1 3.01Å; S127-H148 PolarHBondContact OG-NE2 3.44Å; S127-I149 CarbonylContact C-O 3.59Å; S127-I149 VanDerWaalsContact CA-O 3.25Å; S127-I149 WeakPolarHBondContact CA-O 3.03Å; S127-I149 WeakPolarHBondContact CB-O 3.35Å |
| 128 | V | 98.2 | Very high | 95 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 154.3 | 171.1 | -58.5 | 0 | 0 | 0 | 0 | 109.7 | L68 L92 R93 V94 I149 L151 F183 | L68-V128 HydrophobicContact CD2-CG1 4.25Å; L92-V128 HydrophobicContact CD1-CB 3.97Å; L92-V128 HydrophobicContact CD1-CG2 3.9Å; R93-V128 WeakPolarHBondContact O-CA 3.39Å; V94-V128 HydrophobicContact CG1-CG1 4.47Å; V94-V128 HydrophobicContact CG2-CG1 3.9Å; V128-I149 HydrophobicContact CG2-CB 3.95Å; V128-I149 HydrophobicContact CG2-CG2 4.42Å; V128-I149 PolarHBondContact N-O 2.74Å; V128-I149 PolarHBondContact O-N 2.87Å; V128-L151 HydrophobicContact CG1-CD2 3.87Å; V128-L151 HydrophobicContact CG1-CG 4.5Å; V128-F183 HydrophobicContact CG2-CE1 3.94Å; V128-F183 HydrophobicContact CG2-CZ 3.84Å |
| 129 | Y | 98.5 | Very high | 94.8 | Very high | 38 Ų | 38 | 54.7 Ų | 54.7 | 15% | 0.149 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 119.5 | 176.6 | -174.5 | -103.3 | 0 | 0 | 0 | 109.5 | R93 E131 W146 A147 H148 | R93-Y129 PolarHBondContact N-O 3.06Å; R93-Y129 PolarHBondContact O-N 2.95Å; Y129-E131 HydrophobicContact CD1-CG 3.99Å; Y129-E131 VanDerWaalsContact CE1-CD 3.49Å; Y129-E131 HydrophobicContact CE1-CG 3.35Å; Y129-W146 HydrophobicContact CE2-CD2 4.46Å; Y129-W146 AromaticContact CE2-CE3 3.75Å; Y129-W146 HydrophobicContact CE2-CE3 3.75Å; Y129-W146 HydrophobicContact CE2-CZ3 4.39Å; Y129-A147 WeakPolarHBondContact CD2-O 3.39Å; Y129-H148 HydrophobicContact CD2-CB 4.12Å |
| 130 | L | 98.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 136.9 | -179.4 | -179.5 | 145.1 | 0 | 0 | 0 | 109.9 | M72 R91 L92 I132 W146 A147 I149 L167 V179 L181 | M72-L130 HydrophobicContact CG-CD1 4.21Å; R91-L130 CarbonylContact O-C 3.48Å; R91-L130 WeakPolarHBondContact O-CA 3.4Å; L92-L130 HydrophobicContact CD1-CB 3.95Å; L92-L130 HydrophobicContact CD1-CD1 4.3Å; L130-I132 HydrophobicContact CD2-CD1 4.19Å; L130-I132 HydrophobicContact CD2-CG1 3.66Å; L130-W146 CarbonylContact O-C 3.58Å; L130-W146 WeakPolarHBondContact O-CA 3.45Å; L130-W146 WeakPolarHBondContact O-CB 3.34Å; L130-A147 PolarHBondContact N-O 3.43Å; L130-A147 PolarHBondContact O-N 2.89Å; L130-I149 HydrophobicContact CB-CD1 4.44Å; L130-L167 HydrophobicContact CD2-CD2 4.04Å; L130-V179 HydrophobicContact CD1-CG2 4.3Å; L130-V179 HydrophobicContact CD2-CG1 4.36Å; L130-L181 HydrophobicContact CD1-CD1 4.11Å; L130-L181 HydrophobicContact CD1-CD2 3.81Å |
| 131 | E | 98.6 | Very high | 94.9 | Very high | 33 Ų | 33 | 62.4 Ų | 62.4 | 15% | 0.154 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 144.9 | 169.7 | -60.3 | -175.3 | 120 | 0 | 0 | 109.1 | C90 R91 Y129 F133 R143 W146 | C90-E131 CarbonylContact C-O 3.5Å; C90-E131 VanDerWaalsContact CA-O 3.31Å; C90-E131 WeakPolarHBondContact CA-O 3.34Å; R91-E131 HydrophobicContact CB-CB 4.38Å; R91-E131 PolarHBondContact N-O 2.86Å; R91-E131 PolarHBondContact O-N 3.3Å; Y129-E131 HydrophobicContact CD1-CG 3.99Å; Y129-E131 VanDerWaalsContact CE1-CD 3.49Å; Y129-E131 HydrophobicContact CE1-CG 3.35Å; E131-F133 HydrophobicContact CB-CD2 4.13Å; E131-F133 HydrophobicContact CB-CE2 3.56Å; E131-F133 HydrophobicContact CG-CE2 4.43Å; E131-R143 HydrophobicContact CB-CG 4.33Å; E131-R143 WeakPolarHBondContact OE1-CD 3.45Å; E131-R143 IonicContact OE1-CZ 3.08Å; E131-R143 IonicContact OE1-NE 3.31Å; E131-R143 IonicContact OE1-NH1 2.71Å; E131-R143 PolarHBondContact OE1-NH1 2.71Å; E131-W146 HydrophobicContact CG-CB 4.16Å |
| 132 | I | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 127.5 | 171.6 | -49.5 | -178.4 | 0 | 0 | 0 | 107 | A75 L77 P88 Y89 W113 L130 I144 A145 L167 | A75-I132 HydrophobicContact CB-CD1 4.11Å; L77-I132 HydrophobicContact CD2-CD1 4.21Å; P88-I132 HydrophobicContact CB-CG2 4.06Å; Y89-I132 CarbonylContact O-C 3.26Å; Y89-I132 WeakPolarHBondContact O-CA 3.17Å; W113-I132 HydrophobicContact CH2-CD1 4.16Å; W113-I132 HydrophobicContact CH2-CG2 4.21Å; W113-I132 HydrophobicContact CZ2-CG2 4.19Å; L130-I132 HydrophobicContact CD2-CD1 4.19Å; L130-I132 HydrophobicContact CD2-CG1 3.66Å; I132-I144 HydrophobicContact CB-CG1 4.16Å; I132-I144 HydrophobicContact CG2-CD1 3.93Å; I132-I144 HydrophobicContact CG2-CG1 3.94Å; I132-I144 VanDerWaalsContact O-CG1 3.3Å; I132-I144 WeakPolarHBondContact O-CG1 3.38Å; I132-I144 PolarHBondContact O-N 3.08Å; I132-A145 HydrophobicContact CB-CB 4.1Å; I132-A145 HydrophobicContact CD1-CB 4.21Å; I132-A145 HydrophobicContact CG1-CB 4.29Å; I132-A145 PolarHBondContact N-O 2.82Å; I132-A145 PolarHBondContact O-N 2.8Å; I132-L167 HydrophobicContact CD1-CD1 3.63Å; I132-L167 HydrophobicContact CD1-CD2 3.97Å; I132-L167 HydrophobicContact CD1-CG 4.48Å |
| 133 | F | 98.2 | Very high | 95.1 | Very high | 22 Ų | 22 | 68.3 Ų | 68.3 | 10% | 0.096 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 153.6 | 177.9 | -75.6 | -99.8 | 0 | 0 | 0 | 110.2 | P88 Y89 R91 E131 D141 E142 R143 | P88-F133 CarbonylContact C-O 3.41Å; P88-F133 WeakPolarHBondContact CA-O 3.43Å; Y89-F133 HydrophobicContact CD1-CB 3.91Å; Y89-F133 HydrophobicContact CD2-CB 4.44Å; Y89-F133 HydrophobicContact CE1-CB 3.39Å; Y89-F133 HydrophobicContact CE1-CG 4.32Å; Y89-F133 HydrophobicContact CE2-CB 3.97Å; Y89-F133 HydrophobicContact CE2-CD2 4.26Å; Y89-F133 HydrophobicContact CE2-CG 4.28Å; Y89-F133 HydrophobicContact CG-CB 4.41Å; Y89-F133 VanDerWaalsContact CZ-CB 3.43Å; Y89-F133 AromaticContact CZ-CG 3.88Å; Y89-F133 PolarHBondContact N-O 3.1Å; Y89-F133 PolarHBondContact O-N 3.2Å; R91-F133 HydrophobicContact CB-CE2 4.44Å; R91-F133 HydrophobicContact CG-CD2 3.94Å; R91-F133 HydrophobicContact CG-CE2 3.94Å; R91-F133 VanDerWaalsContact NH1-CZ 3.33Å; E131-F133 HydrophobicContact CB-CD2 4.13Å; E131-F133 HydrophobicContact CB-CE2 3.56Å; E131-F133 HydrophobicContact CG-CE2 4.43Å; F133-D141 HydrophobicContact CB-CB 4.45Å; F133-D141 HydrophobicContact CD1-CB 3.99Å; F133-E142 CarbonylContact C-O 3.46Å; F133-E142 VanDerWaalsContact CA-O 3.22Å; F133-E142 WeakPolarHBondContact CA-O 3.35Å; F133-R143 HydrophobicContact CD1-CB 4.02Å; F133-R143 HydrophobicContact CE1-CB 3.65Å; F133-R143 HydrophobicContact CE1-CG 4.39Å; F133-R143 HydrophobicContact CE2-CB 4.36Å; F133-R143 HydrophobicContact CE2-CG 4.23Å; F133-R143 HydrophobicContact CZ-CB 3.83Å; F133-R143 HydrophobicContact CZ-CG 4.12Å |
| 134 | D | 97.3 | Very high | 95.4 | Very high | 9 Ų | 9 | 62 Ų | 62 | 5% | 0.048 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 112.5 | 164.5 | 172.7 | 45 | 0 | 0 | 0 | 107.7 | M86 D87 R136 D141 E142 I144 | M86-D134 WeakPolarHBondContact CA-OD1 3.39Å; M86-D134 HydrophobicContact CB-CB 4.37Å; M86-D134 VanDerWaalsContact CB-OD1 3.22Å; M86-D134 WeakPolarHBondContact CB-OD1 3.47Å; M86-D134 HydrophobicContact CG-CB 4.44Å; D87-D134 PolarHBondContact N-OD1 3.44Å; D134-R136 IonicContact OD2-CZ 3.52Å; D134-R136 IonicContact OD2-NE 2.98Å; D134-R136 PolarHBondContact OD2-NE 3.44Å; D134-R136 IonicContact OD2-NH2 3.74Å; D134-R136 PolarHBondContact OD2-NH2 2.87Å; D134-R136 VanDerWaalsContact OD2-NH2 3.13Å; D134-D141 WeakPolarHBondContact O-CA 3.36Å; D134-E142 PolarHBondContact N-O 3.05Å; D134-E142 PolarHBondContact O-N 2.84Å; D134-E142 VanDerWaalsContact O-N 3.15Å; D134-I144 HydrophobicContact CB-CD1 4.37Å; D134-I144 HydrophobicContact CB-CG2 3.67Å |
| 135 | E | 96.8 | Very high | 95.7 | Very high | 91 Ų | 91 | 58.8 Ų | 58.8 | 43% | 0.425 | 29% | 0.291 | S | S | . | . | trans | -68.1 | 135.2 | 176.5 | -174.9 | 176.5 | -176.8 | 0 | 0 | 109.9 | D87 Y89 T103 D141 | D87-E135 HydrophobicContact CB-CB 4.27Å; D87-E135 WeakPolarHBondContact O-CB 3.43Å; D87-E135 PolarHBondContact O-N 2.95Å; Y89-E135 HydrophobicContact CD1-CB 4.18Å; Y89-E135 HydrophobicContact CE1-CB 4.18Å; T103-E135 WeakPolarHBondContact CB-OE2 3.4Å; T103-E135 HydrophobicContact CG2-CB 4.07Å; T103-E135 VanDerWaalsContact CG2-OE2 3.3Å; T103-E135 WeakPolarHBondContact CG2-OE2 3.42Å; T103-E135 PolarHBondContact OG1-OE2 2.82Å; E135-D141 WeakPolarHBondContact CA-OD1 3.35Å | ||
| 136 | R | 92.4 | Very high | 95.8 | Very high | 70 Ų | 70 | 60.2 Ų | 60.2 | 26% | 0.264 | 29% | 0.293 | S | S | . | . | trans | -127.4 | 128.8 | -177.7 | -66.1 | -172 | 173.7 | 169.3 | 0.7 | 112.1 | D134 F138 T139 D141 E142 | D134-R136 IonicContact OD2-CZ 3.52Å; D134-R136 IonicContact OD2-NE 2.98Å; D134-R136 PolarHBondContact OD2-NE 3.44Å; D134-R136 IonicContact OD2-NH2 3.74Å; D134-R136 PolarHBondContact OD2-NH2 2.87Å; D134-R136 VanDerWaalsContact OD2-NH2 3.13Å; R136-F138 VanDerWaalsContact C-N 3.3Å; R136-F138 PolarHBondContact O-N 2.84Å; R136-T139 WeakPolarHBondContact CB-O 3.41Å; R136-T139 WeakPolarHBondContact CB-OG1 3.27Å; R136-T139 WeakPolarHBondContact CD-OG1 3.48Å; R136-D141 PolarHBondContact N-OD1 3.1Å; R136-E142 IonicContact CZ-OE2 3.04Å; R136-E142 IonicContact NH1-OE2 2.8Å; R136-E142 PolarHBondContact NH1-OE2 2.84Å; R136-E142 IonicContact NH2-OE2 3.83Å; R136-E142 PolarHBondContact NH2-OE2 2.84Å | ||
| 137 | A | 87.1 | Confident | 96 | Very high | 92 Ų | 92 | 55.6 Ų | 55.6 | 76% | 0.76 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -63.7 | -29.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 138 | F | 87.2 | Confident | 96 | Very high | 202 Ų | 202 | 59.7 Ų | 59.7 | 89% | 0.886 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -127.6 | -2.2 | -170.2 | -57 | -67.6 | 0 | 0 | 0 | 114.7 | R136 | R136-F138 VanDerWaalsContact C-N 3.3Å; R136-F138 PolarHBondContact O-N 2.84Å |
| 139 | T | 89.8 | Confident | 96 | Very high | 86 Ų | 86 | 59.8 Ų | 59.8 | 53% | 0.528 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -136.2 | 171.3 | 179 | 62.8 | 0 | 0 | 0 | 0 | 109.3 | R136 | R136-T139 WeakPolarHBondContact CB-O 3.41Å; R136-T139 WeakPolarHBondContact CB-OG1 3.27Å; R136-T139 WeakPolarHBondContact CD-OG1 3.48Å |
| 140 | F | 94.2 | Very high | 96 | Very high | 195 Ų | 195 | 62.1 Ų | 62.1 | 86% | 0.855 | 31% | 0.306 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 145.1 | 169.7 | -59.3 | -70.2 | 0 | 0 | 0 | 111.2 | ||
| 141 | D | 95.7 | Very high | 95.9 | Very high | 56 Ų | 56 | 62.2 Ų | 62.2 | 30% | 0.299 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 137.9 | 172 | -59.4 | -10.5 | 0 | 0 | 0 | 110.4 | Y89 F133 D134 E135 R136 | Y89-D141 HydrophobicContact CE1-CB 4.37Å; Y89-D141 WeakPolarHBondContact CE1-OD2 3.44Å; Y89-D141 PolarHBondContact OH-OD2 3.09Å; F133-D141 HydrophobicContact CB-CB 4.45Å; F133-D141 HydrophobicContact CD1-CB 3.99Å; D134-D141 WeakPolarHBondContact O-CA 3.36Å; E135-D141 WeakPolarHBondContact CA-OD1 3.35Å; R136-D141 PolarHBondContact N-OD1 3.1Å |
| 142 | E | 95.3 | Very high | 95.9 | Very high | 61 Ų | 61 | 61.7 Ų | 61.7 | 29% | 0.285 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 129 | 179.9 | -175.4 | 173.6 | 165.4 | 0 | 0 | 109.8 | F133 D134 R136 I144 | F133-E142 CarbonylContact C-O 3.46Å; F133-E142 VanDerWaalsContact CA-O 3.22Å; F133-E142 WeakPolarHBondContact CA-O 3.35Å; D134-E142 PolarHBondContact N-O 3.05Å; D134-E142 PolarHBondContact O-N 2.84Å; D134-E142 VanDerWaalsContact O-N 3.15Å; R136-E142 IonicContact CZ-OE2 3.04Å; R136-E142 IonicContact NH1-OE2 2.8Å; R136-E142 PolarHBondContact NH1-OE2 2.84Å; R136-E142 IonicContact NH2-OE2 3.83Å; R136-E142 PolarHBondContact NH2-OE2 2.84Å; E142-I144 PolarHBondContact O-N 3.26Å |
| 143 | R | 97.5 | Very high | 95.8 | Very high | 107 Ų | 107 | 67.9 Ų | 67.9 | 40% | 0.404 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 111 | 169.7 | -172.9 | -176.7 | 67.2 | -172.2 | 1.7 | 109.4 | E131 F133 | E131-R143 HydrophobicContact CB-CG 4.33Å; E131-R143 WeakPolarHBondContact OE1-CD 3.45Å; E131-R143 IonicContact OE1-CZ 3.08Å; E131-R143 IonicContact OE1-NE 3.31Å; E131-R143 IonicContact OE1-NH1 2.71Å; E131-R143 PolarHBondContact OE1-NH1 2.71Å; F133-R143 HydrophobicContact CD1-CB 4.02Å; F133-R143 HydrophobicContact CE1-CB 3.65Å; F133-R143 HydrophobicContact CE1-CG 4.39Å; F133-R143 HydrophobicContact CE2-CB 4.36Å; F133-R143 HydrophobicContact CE2-CG 4.23Å; F133-R143 HydrophobicContact CZ-CB 3.83Å; F133-R143 HydrophobicContact CZ-CG 4.12Å |
| 144 | I | 97.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -28.3 | -176.8 | 58.5 | 174 | 0 | 0 | 0 | 112.9 | L77 Y81 M86 P88 I132 D134 E142 E176 | L77-I144 HydrophobicContact CD1-CD1 3.67Å; Y81-I144 HydrophobicContact CD2-CB 3.68Å; Y81-I144 HydrophobicContact CD2-CG2 3.45Å; Y81-I144 VanDerWaalsContact CD2-CG2 3.45Å; Y81-I144 HydrophobicContact CE2-CB 3.86Å; Y81-I144 HydrophobicContact CE2-CG2 4.13Å; Y81-I144 HydrophobicContact CG-CG2 4.01Å; M86-I144 HydrophobicContact CE-CD1 3.79Å; M86-I144 HydrophobicContact SD-CD1 3.68Å; M86-I144 HydrophobicContact SD-CG2 4.09Å; P88-I144 HydrophobicContact CB-CD1 4.19Å; I132-I144 HydrophobicContact CB-CG1 4.16Å; I132-I144 HydrophobicContact CG2-CD1 3.93Å; I132-I144 HydrophobicContact CG2-CG1 3.94Å; I132-I144 VanDerWaalsContact O-CG1 3.3Å; I132-I144 WeakPolarHBondContact O-CG1 3.38Å; I132-I144 PolarHBondContact O-N 3.08Å; D134-I144 HydrophobicContact CB-CD1 4.37Å; D134-I144 HydrophobicContact CB-CG2 3.67Å; E142-I144 PolarHBondContact O-N 3.26Å; I144-E176 VanDerWaalsContact O-CG 3.29Å; I144-E176 WeakPolarHBondContact O-CG 3.31Å |
| 145 | A | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 163.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L77 I132 L167 S168 E176 | L77-A145 HydrophobicContact CD2-CB 4.19Å; I132-A145 HydrophobicContact CB-CB 4.1Å; I132-A145 HydrophobicContact CD1-CB 4.21Å; I132-A145 HydrophobicContact CG1-CB 4.29Å; I132-A145 PolarHBondContact N-O 2.82Å; I132-A145 PolarHBondContact O-N 2.8Å; A145-L167 HydrophobicContact CB-CB 4.17Å; A145-L167 HydrophobicContact CB-CD1 4.14Å; A145-L167 HydrophobicContact CB-CD2 4.27Å; A145-L167 HydrophobicContact CB-CG 4.45Å; A145-S168 CarbonylContact C-O 3.44Å; A145-S168 VanDerWaalsContact CA-O 3.31Å; A145-S168 WeakPolarHBondContact CA-O 3.39Å; A145-E176 HydrophobicContact CB-CB 4.23Å; A145-E176 HydrophobicContact CB-CG 3.57Å |
| 146 | W | 98.7 | Very high | 95.7 | Very high | 76 Ų | 76 | 65.2 Ų | 65.2 | 29% | 0.288 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 160 | 174.2 | 61 | -87.6 | 0 | 0 | 0 | 112.1 | Y129 L130 E131 S168 | Y129-W146 HydrophobicContact CE2-CD2 4.46Å; Y129-W146 AromaticContact CE2-CE3 3.75Å; Y129-W146 HydrophobicContact CE2-CE3 3.75Å; Y129-W146 HydrophobicContact CE2-CZ3 4.39Å; L130-W146 CarbonylContact O-C 3.58Å; L130-W146 WeakPolarHBondContact O-CA 3.45Å; L130-W146 WeakPolarHBondContact O-CB 3.34Å; E131-W146 HydrophobicContact CG-CB 4.16Å; W146-S168 VanDerWaalsContact CE2-CB 3.5Å; W146-S168 VanDerWaalsContact CZ2-CB 3.44Å; W146-S168 PolarHBondContact N-O 3.14Å; W146-S168 PolarHBondContact O-N 3.03Å |
| 147 | A | 98.7 | Very high | 95.8 | Very high | 4 Ų | 4 | 68.1 Ų | 68.1 | 3% | 0.033 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 144.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y129 L130 I149 L167 | Y129-A147 WeakPolarHBondContact CD2-O 3.39Å; L130-A147 PolarHBondContact N-O 3.43Å; L130-A147 PolarHBondContact O-N 2.89Å; A147-I149 HydrophobicContact CB-CD1 3.94Å; A147-I149 HydrophobicContact CB-CG1 3.83Å; A147-L167 HydrophobicContact CB-CD2 4.06Å |
| 148 | H | 98.2 | Very high | 96.2 | Very high | 110 Ų | 110 | 66.4 Ų | 66.4 | 51% | 0.509 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 115 | 166.8 | -176.8 | -96.3 | 0 | 0 | 0 | 108.3 | S127 Y129 | S127-H148 PolarHBondContact OG-CE1 3.01Å; S127-H148 PolarHBondContact OG-NE2 3.44Å; Y129-H148 HydrophobicContact CD2-CB 4.12Å |
| 149 | I | 98.4 | Very high | 96.7 | Very high | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 109.4 | -164.4 | -59.7 | 171.4 | 0 | 0 | 0 | 108.8 | S127 V128 L130 A147 Y165 L181 F183 | S127-I149 CarbonylContact C-O 3.59Å; S127-I149 VanDerWaalsContact CA-O 3.25Å; S127-I149 WeakPolarHBondContact CA-O 3.03Å; S127-I149 WeakPolarHBondContact CB-O 3.35Å; V128-I149 HydrophobicContact CG2-CB 3.95Å; V128-I149 HydrophobicContact CG2-CG2 4.42Å; V128-I149 PolarHBondContact N-O 2.74Å; V128-I149 PolarHBondContact O-N 2.87Å; L130-I149 HydrophobicContact CB-CD1 4.44Å; A147-I149 HydrophobicContact CB-CD1 3.94Å; A147-I149 HydrophobicContact CB-CG1 3.83Å; I149-Y165 HydrophobicContact CB-CD1 4.38Å; I149-Y165 HydrophobicContact CD1-CD1 4.28Å; I149-Y165 HydrophobicContact CD1-CD2 4.33Å; I149-Y165 HydrophobicContact CD1-CG 3.9Å; I149-Y165 HydrophobicContact CG1-CD1 4.11Å; I149-Y165 HydrophobicContact CG1-CG 4.21Å; I149-Y165 HydrophobicContact CG2-CD1 3.49Å; I149-Y165 VanDerWaalsContact CG2-CD1 3.49Å; I149-Y165 HydrophobicContact CG2-CE1 3.35Å; I149-Y165 HydrophobicContact CG2-CE2 4.46Å; I149-Y165 HydrophobicContact CG2-CG 4.09Å; I149-L181 HydrophobicContact CD1-CD1 3.33Å; I149-F183 HydrophobicContact CG2-CE2 4.2Å; I149-F183 HydrophobicContact CG2-CZ 4.11Å |
| 150 | P | 98.2 | Very high | 97.1 | Very high | 87 Ų | 87 | 62.1 Ų | 62.1 | 57% | 0.565 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 138 | 168.3 | -21.2 | 33.5 | 0 | 0 | 0 | 110.4 | P152 | P150-P152 WeakPolarHBondContact O-CD 3.4Å |
| 151 | L | 98.1 | Very high | 97.3 | Very high | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.016 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 126.3 | 175.4 | -71 | 174.2 | 0 | 0 | 0 | 109.5 | L68 L121 D126 V128 Q153 I155 F156 F183 | L68-L151 HydrophobicContact CD1-CD2 4.07Å; L68-L151 HydrophobicContact CD2-CD2 4.07Å; L121-L151 HydrophobicContact CD1-CD1 3.77Å; L121-L151 HydrophobicContact CD2-CD1 3.78Å; L121-L151 HydrophobicContact CG-CD1 4.46Å; D126-L151 PolarHBondContact O-N 2.81Å; V128-L151 HydrophobicContact CG1-CD2 3.87Å; V128-L151 HydrophobicContact CG1-CG 4.5Å; L151-Q153 PolarHBondContact O-N 2.9Å; L151-Q153 PolarHBondContact O-NE2 3.07Å; L151-I155 HydrophobicContact CB-CD1 4.09Å; L151-I155 HydrophobicContact CD2-CD1 4.08Å; L151-F156 HydrophobicContact CB-CE2 4.23Å; L151-F156 HydrophobicContact CB-CZ 4.3Å; L151-F156 HydrophobicContact CD1-CZ 4.13Å; L151-F183 HydrophobicContact CD2-CD1 3.99Å; L151-F183 HydrophobicContact CD2-CE1 3.92Å |
| 152 | P | 97.9 | Very high | 97.4 | Very high | 22 Ų | 22 | 56.6 Ų | 56.6 | 14% | 0.143 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 129.1 | 177.6 | -23.7 | 33.1 | 0 | 0 | 0 | 110.6 | P150 A154 I155 I161 Y165 F183 | P150-P152 WeakPolarHBondContact O-CD 3.4Å; P152-A154 PolarHBondContact O-N 2.9Å; P152-A154 VanDerWaalsContact O-N 3.16Å; P152-I155 HydrophobicContact CB-CG2 4.25Å; P152-I155 VanDerWaalsContact O-CG1 3.28Å; P152-I155 WeakPolarHBondContact O-CG1 3.34Å; P152-I155 PolarHBondContact O-N 3.35Å; P152-I161 HydrophobicContact CB-CB 4.27Å; P152-I161 HydrophobicContact CB-CG1 3.98Å; P152-I161 HydrophobicContact CB-CG2 4.1Å; P152-I161 HydrophobicContact CG-CB 4.26Å; P152-I161 HydrophobicContact CG-CG2 3.95Å; P152-Y165 WeakPolarHBondContact CG-OH 3.42Å; P152-F183 HydrophobicContact CG-CD2 4.26Å |
| 153 | Q | 96.8 | Very high | 97.6 | Very high | 130 Ų | 130 | 58.4 Ų | 58.4 | 61% | 0.607 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -62.4 | -28.8 | -174.3 | -66.4 | -58 | -60.4 | 0 | 0 | 113.1 | L151 I155 F156 | L151-Q153 PolarHBondContact O-N 2.9Å; L151-Q153 PolarHBondContact O-NE2 3.07Å; Q153-I155 PolarHBondContact O-N 2.97Å; Q153-F156 WeakPolarHBondContact O-CD2 3.42Å; Q153-F156 PolarHBondContact O-N 2.82Å; Q153-F156 VanDerWaalsContact O-N 3.16Å |
| 154 | A | 97.4 | Very high | 97.6 | Very high | 24 Ų | 24 | 57.6 Ų | 57.6 | 20% | 0.198 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -58.8 | -30.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | P152 F156 N157 E159 I161 | P152-A154 PolarHBondContact O-N 2.9Å; P152-A154 VanDerWaalsContact O-N 3.16Å; A154-F156 PolarHBondContact O-N 3.06Å; A154-N157 WeakPolarHBondContact O-CB 3.29Å; A154-N157 PolarHBondContact O-N 3.47Å; A154-E159 HydrophobicContact CB-CB 4.09Å; A154-E159 HydrophobicContact CB-CG 4.42Å; A154-E159 WeakPolarHBondContact CB-OE2 3.17Å; A154-E159 WeakPolarHBondContact O-CB 3.29Å; A154-E159 PolarHBondContact O-N 3.05Å; A154-I161 HydrophobicContact CB-CD1 3.72Å; A154-I161 HydrophobicContact CB-CG1 4.05Å |
| 155 | I | 97.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -64.2 | -28.9 | 179.5 | 78.2 | -171.9 | 0 | 0 | 0 | 112 | L68 L151 P152 Q153 N157 G158 E159 I161 F183 L185 | L68-I155 HydrophobicContact CD1-CD1 3.79Å; L151-I155 HydrophobicContact CB-CD1 4.09Å; L151-I155 HydrophobicContact CD2-CD1 4.08Å; P152-I155 HydrophobicContact CB-CG2 4.25Å; P152-I155 VanDerWaalsContact O-CG1 3.28Å; P152-I155 WeakPolarHBondContact O-CG1 3.34Å; P152-I155 PolarHBondContact O-N 3.35Å; Q153-I155 PolarHBondContact O-N 2.97Å; I155-N157 PolarHBondContact O-N 3.18Å; I155-G158 PolarHBondContact O-N 3.31Å; I155-E159 WeakPolarHBondContact CA-O 3.31Å; I155-I161 HydrophobicContact CG2-CB 4.35Å; I155-I161 HydrophobicContact CG2-CG1 3.83Å; I155-F183 HydrophobicContact CG2-CB 3.87Å; I155-L185 HydrophobicContact CB-CB 4.21Å; I155-L185 HydrophobicContact CG1-CB 4.07Å; I155-L185 WeakPolarHBondContact O-CB 3.27Å |
| 156 | F | 95.4 | Very high | 97.7 | Very high | 42 Ų | 42 | 62.7 Ų | 62.7 | 18% | 0.184 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -70.4 | -13.4 | 177.7 | -62 | -76.3 | 0 | 0 | 0 | 112.9 | R65 L121 L151 Q153 A154 L185 | R65-F156 HydrophobicContact CG-CE1 4.49Å; R65-F156 VanDerWaalsContact CZ-CD1 3.46Å; R65-F156 VanDerWaalsContact CZ-CE1 3.42Å; R65-F156 VanDerWaalsContact NH1-CE1 3.29Å; L121-F156 HydrophobicContact CD2-CE1 3.65Å; L121-F156 HydrophobicContact CD2-CZ 3.99Å; L151-F156 HydrophobicContact CB-CE2 4.23Å; L151-F156 HydrophobicContact CB-CZ 4.3Å; L151-F156 HydrophobicContact CD1-CZ 4.13Å; Q153-F156 WeakPolarHBondContact O-CD2 3.42Å; Q153-F156 PolarHBondContact O-N 2.82Å; Q153-F156 VanDerWaalsContact O-N 3.16Å; A154-F156 PolarHBondContact O-N 3.06Å; F156-L185 HydrophobicContact CD1-CD2 3.44Å; F156-L185 VanDerWaalsContact CD1-CD2 3.44Å; F156-L185 HydrophobicContact CE1-CD2 3.81Å; F156-L185 HydrophobicContact CG-CD2 4.32Å |
| 157 | N | 94.8 | Very high | 97.7 | Very high | 131 Ų | 131 | 59.1 Ų | 59.1 | 70% | 0.701 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -96.8 | 6.3 | 172 | -57.1 | -31.6 | 0 | 0 | 0 | 112.4 | A154 I155 | A154-N157 WeakPolarHBondContact O-CB 3.29Å; A154-N157 PolarHBondContact O-N 3.47Å; I155-N157 PolarHBondContact O-N 3.18Å |
| 158 | G | 94.1 | Very high | 97.7 | Very high | 56 Ų | 56 | 59.4 Ų | 59.4 | 58% | 0.577 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.7 | 9.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | I155 | I155-G158 PolarHBondContact O-N 3.31Š|
| 159 | E | 97.6 | Very high | 97.7 | Very high | 102 Ų | 102 | 55.1 Ų | 55.1 | 48% | 0.477 | 31% | 0.31 | S | S | . | . | trans | -79.2 | 152.4 | 176.9 | -61.6 | -179.8 | -147.7 | 0 | 0 | 112.3 | A154 I155 I161 | A154-E159 HydrophobicContact CB-CB 4.09Å; A154-E159 HydrophobicContact CB-CG 4.42Å; A154-E159 WeakPolarHBondContact CB-OE2 3.17Å; A154-E159 WeakPolarHBondContact O-CB 3.29Å; A154-E159 PolarHBondContact O-N 3.05Å; I155-E159 WeakPolarHBondContact CA-O 3.31Å; E159-I161 HydrophobicContact CB-CD1 4.34Å | ||
| 160 | T | 98.3 | Very high | 97.6 | Very high | 95 Ų | 95 | 60 Ų | 60 | 58% | 0.583 | 34% | 0.337 | S | S | * | . | trans | -102.6 | 124.6 | 170.2 | -61.6 | 0 | 0 | 0 | 0 | 109.1 | I182 F183 | T160-I182 HydrophobicContact CG2-CG2 3.54Å; T160-F183 CarbonylContact C-O 3.55Å; T160-F183 WeakPolarHBondContact CA-O 3.29Å | ||
| 161 | I | 98.6 | Very high | 97.4 | Very high | 33 Ų | 33 | 60 Ų | 60 | 17% | 0.169 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 117.4 | -175.6 | -57.3 | -59.1 | 0 | 0 | 0 | 109.7 | P152 A154 I155 E159 E163 I182 F183 | P152-I161 HydrophobicContact CB-CB 4.27Å; P152-I161 HydrophobicContact CB-CG1 3.98Å; P152-I161 HydrophobicContact CB-CG2 4.1Å; P152-I161 HydrophobicContact CG-CB 4.26Å; P152-I161 HydrophobicContact CG-CG2 3.95Å; A154-I161 HydrophobicContact CB-CD1 3.72Å; A154-I161 HydrophobicContact CB-CG1 4.05Å; I155-I161 HydrophobicContact CG2-CB 4.35Å; I155-I161 HydrophobicContact CG2-CG1 3.83Å; E159-I161 HydrophobicContact CB-CD1 4.34Å; I161-E163 HydrophobicContact CG2-CB 4.37Å; I161-I182 CarbonylContact O-C 3.5Å; I161-I182 VanDerWaalsContact O-CA 3.23Å; I161-I182 WeakPolarHBondContact O-CA 3.37Å; I161-F183 PolarHBondContact N-O 3.18Å; I161-F183 PolarHBondContact O-N 3.43Å |
| 162 | D | 98.5 | Very high | 97.4 | Very high | 103 Ų | 103 | 61.2 Ų | 61.2 | 55% | 0.551 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 111.4 | 174.2 | -178.8 | 0.2 | 0 | 0 | 0 | 109.4 | N180 I182 | D162-N180 PolarHBondContact OD1-ND2 2.9Å; D162-I182 HydrophobicContact CB-CG1 4.04Å; D162-I182 HydrophobicContact CB-CG2 4.44Å |
| 163 | E | 98.4 | Very high | 97.4 | Very high | 99 Ų | 99 | 68.3 Ų | 68.3 | 46% | 0.463 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 158.2 | -173.4 | -167.5 | 168.4 | -174.8 | 0 | 0 | 112.9 | I161 Y165 N180 L181 | I161-E163 HydrophobicContact CG2-CB 4.37Å; E163-Y165 HydrophobicContact CB-CE2 3.88Å; E163-Y165 HydrophobicContact CG-CE2 4.47Å; E163-N180 WeakPolarHBondContact O-CA 3.38Å; E163-N180 PolarHBondContact O-ND2 3.45Å; E163-N180 VanDerWaalsContact O-ND2 3.14Å; E163-L181 PolarHBondContact N-O 2.93Å; E163-L181 VanDerWaalsContact N-O 3.08Å; E163-L181 PolarHBondContact O-N 3.39Å |
| 164 | W | 98.6 | Very high | 97.4 | Very high | 90 Ų | 90 | 63.9 Ų | 63.9 | 34% | 0.341 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 126.3 | 172.7 | -73.8 | 88.1 | 0 | 0 | 0 | 111.2 | Q74 N76 M178 V179 N180 | Q74-W164 HydrophobicContact CG-CH2 3.71Å; Q74-W164 HydrophobicContact CG-CZ2 4.11Å; N76-W164 HydrophobicContact CB-CZ3 4.27Å; N76-W164 WeakPolarHBondContact ND2-CH2 3.47Å; W164-M178 HydrophobicContact CB-CB 4.46Å; W164-M178 HydrophobicContact CB-SD 4.35Å; W164-M178 HydrophobicContact CE3-CB 3.63Å; W164-M178 HydrophobicContact CZ3-CB 4.31Å; W164-V179 CarbonylContact C-O 3.52Å; W164-V179 WeakPolarHBondContact CA-O 3.07Å; W164-N180 HydrophobicContact CD2-CB 3.76Å; W164-N180 HydrophobicContact CE3-CB 3.82Å; W164-N180 HydrophobicContact CG-CB 4.44Å; W164-N180 HydrophobicContact CH2-CB 3.87Å; W164-N180 HydrophobicContact CZ2-CB 3.76Å; W164-N180 HydrophobicContact CZ3-CB 3.88Å |
| 165 | Y | 98.7 | Very high | 97.5 | Very high | 34 Ų | 34 | 69.3 Ų | 69.3 | 13% | 0.133 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 134.5 | 180 | -61.9 | -90.5 | 0 | 0 | 0 | 110.7 | I149 P152 E163 M178 V179 L181 F183 | I149-Y165 HydrophobicContact CB-CD1 4.38Å; I149-Y165 HydrophobicContact CD1-CD1 4.28Å; I149-Y165 HydrophobicContact CD1-CD2 4.33Å; I149-Y165 HydrophobicContact CD1-CG 3.9Å; I149-Y165 HydrophobicContact CG1-CD1 4.11Å; I149-Y165 HydrophobicContact CG1-CG 4.21Å; I149-Y165 HydrophobicContact CG2-CD1 3.49Å; I149-Y165 VanDerWaalsContact CG2-CD1 3.49Å; I149-Y165 HydrophobicContact CG2-CE1 3.35Å; I149-Y165 HydrophobicContact CG2-CE2 4.46Å; I149-Y165 HydrophobicContact CG2-CG 4.09Å; P152-Y165 WeakPolarHBondContact CG-OH 3.42Å; E163-Y165 HydrophobicContact CB-CE2 3.88Å; E163-Y165 HydrophobicContact CG-CE2 4.47Å; Y165-M178 CarbonylContact O-C 3.55Å; Y165-M178 WeakPolarHBondContact O-CA 3.31Å; Y165-V179 PolarHBondContact N-O 2.93Å; Y165-V179 PolarHBondContact O-N 3.4Å; Y165-L181 HydrophobicContact CD2-CB 4.02Å; Y165-L181 HydrophobicContact CD2-CD1 4.09Å; Y165-L181 HydrophobicContact CD2-CG 4.12Å; Y165-L181 HydrophobicContact CE2-CB 3.9Å; Y165-L181 HydrophobicContact CE2-CD1 4.42Å; Y165-L181 HydrophobicContact CE2-CG 4.46Å; Y165-F183 HydrophobicContact CE2-CD2 4.36Å; Y165-F183 AromaticContact CE2-CE2 3.8Å; Y165-F183 HydrophobicContact CE2-CE2 3.8Å; Y165-F183 AromaticContact CZ-CE2 3.86Å |
| 166 | S | 98.6 | Very high | 97.5 | Very high | 74 Ų | 74 | 69.4 Ų | 69.4 | 52% | 0.517 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 136.8 | 179.1 | -66.3 | 0 | 0 | 0 | 0 | 111.8 | ||
| 167 | L | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 142 | 179.9 | -67.8 | 166.7 | 0 | 0 | 0 | 111.1 | L77 L130 I132 A145 A147 G174 K175 E176 G177 V179 | L77-L167 HydrophobicContact CD2-CD1 3.63Å; L130-L167 HydrophobicContact CD2-CD2 4.04Å; I132-L167 HydrophobicContact CD1-CD1 3.63Å; I132-L167 HydrophobicContact CD1-CD2 3.97Å; I132-L167 HydrophobicContact CD1-CG 4.48Å; A145-L167 HydrophobicContact CB-CB 4.17Å; A145-L167 HydrophobicContact CB-CD1 4.14Å; A145-L167 HydrophobicContact CB-CD2 4.27Å; A145-L167 HydrophobicContact CB-CG 4.45Å; A147-L167 HydrophobicContact CB-CD2 4.06Å; L167-G174 CarbonylContact O-C 3.5Å; L167-G174 WeakPolarHBondContact O-CA 3.42Å; L167-K175 PolarHBondContact O-N 3.04Å; L167-K175 VanDerWaalsContact O-N 3.1Å; L167-E176 HydrophobicContact CB-CB 3.98Å; L167-E176 WeakPolarHBondContact O-CB 3.29Å; L167-E176 PolarHBondContact O-N 2.71Å; L167-G177 PolarHBondContact N-O 3.17Å; L167-V179 HydrophobicContact CD1-CB 4.12Å; L167-V179 HydrophobicContact CD2-CB 4.09Å; L167-V179 HydrophobicContact CD2-CG1 3.78Å; L167-V179 HydrophobicContact CG-CB 4.21Å; L167-V179 HydrophobicContact CG-CG1 4.16Å |
| 168 | S | 98.7 | Very high | 97.8 | Very high | 10 Ų | 10 | 65.6 Ų | 65.6 | 7% | 0.07 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 155.9 | 171.9 | -61 | 0 | 0 | 0 | 0 | 110.4 | A145 W146 G172 E173 G174 | A145-S168 CarbonylContact C-O 3.44Å; A145-S168 VanDerWaalsContact CA-O 3.31Å; A145-S168 WeakPolarHBondContact CA-O 3.39Å; W146-S168 VanDerWaalsContact CE2-CB 3.5Å; W146-S168 VanDerWaalsContact CZ2-CB 3.44Å; W146-S168 PolarHBondContact N-O 3.14Å; W146-S168 PolarHBondContact O-N 3.03Å; S168-G172 WeakPolarHBondContact CA-O 3.49Å; S168-E173 WeakPolarHBondContact OG-CA 3.29Å; S168-G174 PolarHBondContact OG-N 3.06Å |
| 169 | G | 97.7 | Very high | 98 | Very high | 20 Ų | 20 | 62.9 Ų | 62.9 | 21% | 0.206 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.6 | -150.1 | -177 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q171 G172 E176 | G169-Q171 PolarHBondContact O-N 3.43Å; G169-G172 PolarHBondContact N-O 3.42Å; G169-G172 PolarHBondContact O-N 3.19Å; G169-G172 VanDerWaalsContact O-N 3.07Å; G169-E176 VanDerWaalsContact C-OE2 3.28Å; G169-E176 VanDerWaalsContact CA-OE2 3.29Å; G169-E176 WeakPolarHBondContact CA-OE2 3.42Å |
| 170 | N | 96.2 | Very high | 98.1 | Very high | 106 Ų | 106 | 58.5 Ų | 58.5 | 57% | 0.567 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -20.3 | -179.9 | -67.5 | -26.2 | 0 | 0 | 0 | 112.5 | Y81 G172 E176 | Y81-N170 HydrophobicContact CE1-CB 4.09Å; N170-G172 VanDerWaalsContact C-N 3.27Å; N170-E176 PolarHBondContact N-OE2 3.33Å |
| 171 | Q | 95.6 | Very high | 98.1 | Very high | 85 Ų | 85 | 54 Ų | 54 | 40% | 0.397 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -11.6 | 172.3 | -59.4 | -48.4 | -70.7 | 0 | 0 | 113.5 | G169 K175 E176 | G169-Q171 PolarHBondContact O-N 3.43Å; Q171-K175 HydrophobicContact CB-CB 4.01Å; Q171-E176 WeakPolarHBondContact CB-OE2 3.5Å; Q171-E176 WeakPolarHBondContact CG-OE2 3.39Å; Q171-E176 PolarHBondContact N-OE2 3.32Å |
| 172 | G | 96.9 | Very high | 98.1 | Very high | 29 Ų | 29 | 54.5 Ų | 54.5 | 30% | 0.299 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 112.6 | -177.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S168 G169 N170 G174 K175 | S168-G172 WeakPolarHBondContact CA-O 3.49Å; G169-G172 PolarHBondContact N-O 3.42Å; G169-G172 PolarHBondContact O-N 3.19Å; G169-G172 VanDerWaalsContact O-N 3.07Å; N170-G172 VanDerWaalsContact C-N 3.27Å; G172-G174 PolarHBondContact O-N 3.23Å; G172-K175 PolarHBondContact O-N 3.49Å |
| 173 | E | 97.8 | Very high | 98.1 | Very high | 171 Ų | 171 | 49.6 Ų | 49.6 | 80% | 0.799 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 124.7 | -177.9 | -172.2 | 173.6 | -167.8 | 0 | 0 | 111.5 | S168 K175 | S168-E173 WeakPolarHBondContact OG-CA 3.29Å; E173-K175 WeakPolarHBondContact O-CG 3.38Å; E173-K175 PolarHBondContact O-N 2.92Å |
| 174 | G | 98 | Very high | 98.1 | Very high | 37 Ų | 37 | 46 Ų | 46 | 38% | 0.381 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 65.5 | 13.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | L167 S168 G172 | L167-G174 CarbonylContact O-C 3.5Å; L167-G174 WeakPolarHBondContact O-CA 3.42Å; S168-G174 PolarHBondContact OG-N 3.06Å; G172-G174 PolarHBondContact O-N 3.23Å |
| 175 | K | 98.2 | Very high | 98 | Very high | 139 Ų | 139 | 42.4 Ų | 42.4 | 60% | 0.604 | 24% | 0.239 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -111.8 | -0.4 | -173.3 | -69.7 | 177.5 | -175.5 | -177.9 | 0 | 114.2 | T78 L167 Q171 G172 E173 G177 | T78-K175 WeakPolarHBondContact CG2-O 3.49Å; T78-K175 PolarHBondContact OG1-O 3.14Å; L167-K175 PolarHBondContact O-N 3.04Å; L167-K175 VanDerWaalsContact O-N 3.1Å; Q171-K175 HydrophobicContact CB-CB 4.01Å; G172-K175 PolarHBondContact O-N 3.49Å; E173-K175 WeakPolarHBondContact O-CG 3.38Å; E173-K175 PolarHBondContact O-N 2.92Å; K175-G177 VanDerWaalsContact C-N 3.34Å |
| 176 | E | 98.2 | Very high | 97.8 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | -14 | -175.7 | -157.3 | 59.1 | -126.4 | 0 | 0 | 112.5 | L77 T78 Y81 I144 A145 L167 G169 N170 Q171 | L77-E176 WeakPolarHBondContact CA-O 3.31Å; T78-E176 PolarHBondContact N-O 2.97Å; T78-E176 PolarHBondContact OG1-O 3.41Å; Y81-E176 VanDerWaalsContact CE2-OE1 3.32Å; Y81-E176 WeakPolarHBondContact CE2-OE1 3.41Å; Y81-E176 VanDerWaalsContact CZ-OE1 3.3Å; Y81-E176 PolarHBondContact OH-OE1 3.41Å; Y81-E176 PolarHBondContact OH-OE2 2.87Å; Y81-E176 VanDerWaalsContact OH-OE2 3.12Å; I144-E176 VanDerWaalsContact O-CG 3.29Å; I144-E176 WeakPolarHBondContact O-CG 3.31Å; A145-E176 HydrophobicContact CB-CB 4.23Å; A145-E176 HydrophobicContact CB-CG 3.57Å; L167-E176 HydrophobicContact CB-CB 3.98Å; L167-E176 WeakPolarHBondContact O-CB 3.29Å; L167-E176 PolarHBondContact O-N 2.71Å; G169-E176 VanDerWaalsContact C-OE2 3.28Å; G169-E176 VanDerWaalsContact CA-OE2 3.29Å; G169-E176 WeakPolarHBondContact CA-OE2 3.42Å; N170-E176 PolarHBondContact N-OE2 3.33Å; Q171-E176 WeakPolarHBondContact CB-OE2 3.5Å; Q171-E176 WeakPolarHBondContact CG-OE2 3.39Å; Q171-E176 PolarHBondContact N-OE2 3.32Å |
| 177 | G | 98.3 | Very high | 97.3 | Very high | 11 Ų | 11 | 45.4 Ų | 45.4 | 11% | 0.113 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 136 | -157.2 | -178 | 0 | 0 | 0 | 0 | 0 | 111.7 | N76 L167 K175 | N76-G177 CarbonylContact O-C 3.56Å; N76-G177 WeakPolarHBondContact O-CA 3.49Å; L167-G177 PolarHBondContact N-O 3.17Å; K175-G177 VanDerWaalsContact C-N 3.34Å |
| 178 | M | 98.6 | Very high | 96.4 | Very high | 82 Ų | 82 | 47.7 Ų | 47.7 | 40% | 0.404 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 150.8 | 172.5 | -56.2 | -169.8 | -63.7 | 0 | 0 | 111 | A75 N76 W164 Y165 | A75-M178 CarbonylContact C-O 3.49Å; A75-M178 WeakPolarHBondContact CA-O 3.32Å; N76-M178 PolarHBondContact N-O 3.37Å; N76-M178 PolarHBondContact O-N 2.87Å; W164-M178 HydrophobicContact CB-CB 4.46Å; W164-M178 HydrophobicContact CB-SD 4.35Å; W164-M178 HydrophobicContact CE3-CB 3.63Å; W164-M178 HydrophobicContact CZ3-CB 4.31Å; Y165-M178 CarbonylContact O-C 3.55Å; Y165-M178 WeakPolarHBondContact O-CA 3.31Å |
| 179 | V | 98.8 | Very high | 95 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 137.8 | 172.8 | 61.6 | 0 | 0 | 0 | 0 | 109.7 | A75 L130 W164 Y165 L167 L181 | A75-V179 HydrophobicContact CB-CB 4.39Å; A75-V179 HydrophobicContact CB-CG2 4.4Å; L130-V179 HydrophobicContact CD1-CG2 4.3Å; L130-V179 HydrophobicContact CD2-CG1 4.36Å; W164-V179 CarbonylContact C-O 3.52Å; W164-V179 WeakPolarHBondContact CA-O 3.07Å; Y165-V179 PolarHBondContact N-O 2.93Å; Y165-V179 PolarHBondContact O-N 3.4Å; L167-V179 HydrophobicContact CD1-CB 4.12Å; L167-V179 HydrophobicContact CD2-CB 4.09Å; L167-V179 HydrophobicContact CD2-CG1 3.78Å; L167-V179 HydrophobicContact CG-CB 4.21Å; L167-V179 HydrophobicContact CG-CG1 4.16Å; V179-L181 HydrophobicContact CG1-CG 4.32Å; V179-L181 HydrophobicContact CG2-CD2 3.95Å; V179-L181 HydrophobicContact CG2-CG 4.3Å |
| 180 | N | 98.8 | Very high | 93.3 | Very high | 10 Ų | 10 | 55.6 Ų | 55.6 | 5% | 0.053 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 121.5 | 175.4 | 179.1 | -131.4 | 0 | 0 | 0 | 110.1 | A73 Q74 D162 E163 W164 | A73-N180 HydrophobicContact CB-CB 4.36Å; A73-N180 WeakPolarHBondContact CB-OD1 3.29Å; A73-N180 PolarHBondContact N-O 2.9Å; Q74-N180 HydrophobicContact CG-CB 3.88Å; Q74-N180 PolarHBondContact O-N 3.33Å; D162-N180 PolarHBondContact OD1-ND2 2.9Å; E163-N180 WeakPolarHBondContact O-CA 3.38Å; E163-N180 PolarHBondContact O-ND2 3.45Å; E163-N180 VanDerWaalsContact O-ND2 3.14Å; W164-N180 HydrophobicContact CD2-CB 3.76Å; W164-N180 HydrophobicContact CE3-CB 3.82Å; W164-N180 HydrophobicContact CG-CB 4.44Å; W164-N180 HydrophobicContact CH2-CB 3.87Å; W164-N180 HydrophobicContact CZ2-CB 3.76Å; W164-N180 HydrophobicContact CZ3-CB 3.88Å |
| 181 | L | 98.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 140.8 | 179.1 | -58.8 | -178.9 | 0 | 0 | 0 | 110.8 | T71 M72 L130 I149 E163 Y165 V179 F183 | T71-L181 WeakPolarHBondContact O-CA 3.18Å; M72-L181 HydrophobicContact CB-CD2 4.22Å; M72-L181 HydrophobicContact CG-CD2 3.76Å; L130-L181 HydrophobicContact CD1-CD1 4.11Å; L130-L181 HydrophobicContact CD1-CD2 3.81Å; I149-L181 HydrophobicContact CD1-CD1 3.33Å; E163-L181 PolarHBondContact N-O 2.93Å; E163-L181 VanDerWaalsContact N-O 3.08Å; E163-L181 PolarHBondContact O-N 3.39Å; Y165-L181 HydrophobicContact CD2-CB 4.02Å; Y165-L181 HydrophobicContact CD2-CD1 4.09Å; Y165-L181 HydrophobicContact CD2-CG 4.12Å; Y165-L181 HydrophobicContact CE2-CB 3.9Å; Y165-L181 HydrophobicContact CE2-CD1 4.42Å; Y165-L181 HydrophobicContact CE2-CG 4.46Å; V179-L181 HydrophobicContact CG1-CG 4.32Å; V179-L181 HydrophobicContact CG2-CD2 3.95Å; V179-L181 HydrophobicContact CG2-CG 4.3Å; L181-F183 HydrophobicContact CB-CD2 4.19Å; L181-F183 HydrophobicContact CB-CE2 3.6Å; L181-F183 HydrophobicContact CB-CZ 4.17Å; L181-F183 HydrophobicContact CD1-CE2 3.79Å; L181-F183 HydrophobicContact CD1-CZ 3.68Å; L181-F183 HydrophobicContact CG-CE2 4.38Å |
| 182 | I | 98.7 | Very high | 89.4 | Confident | 44 Ų | 44 | 59.5 Ų | 59.5 | 23% | 0.226 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 121.9 | 173.6 | -49.9 | 163.2 | 0 | 0 | 0 | 108.2 | V70 T71 T160 I161 D162 | V70-I182 CarbonylContact C-O 3.55Å; V70-I182 WeakPolarHBondContact CA-O 3.32Å; T71-I182 HydrophobicContact CG2-CD1 4.25Å; T71-I182 PolarHBondContact N-O 2.81Å; T71-I182 PolarHBondContact O-N 2.85Å; T160-I182 HydrophobicContact CG2-CG2 3.54Å; I161-I182 CarbonylContact O-C 3.5Å; I161-I182 VanDerWaalsContact O-CA 3.23Å; I161-I182 WeakPolarHBondContact O-CA 3.37Å; D162-I182 HydrophobicContact CB-CG1 4.04Å; D162-I182 HydrophobicContact CB-CG2 4.44Å |
| 183 | F | 98.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 137.4 | 179.4 | -68.4 | -85 | 0 | 0 | 0 | 111 | L68 N69 V70 V128 I149 L151 P152 I155 T160 I161 Y165 L181 | L68-F183 HydrophobicContact CD1-CD1 4.28Å; N69-F183 WeakPolarHBondContact O-CA 3.3Å; V70-F183 HydrophobicContact CB-CD1 4.29Å; V70-F183 HydrophobicContact CB-CE1 4.22Å; V70-F183 HydrophobicContact CG1-CD1 3.89Å; V70-F183 HydrophobicContact CG1-CE1 3.53Å; V70-F183 HydrophobicContact CG1-CZ 3.99Å; V70-F183 HydrophobicContact CG2-CD1 3.67Å; V70-F183 HydrophobicContact CG2-CE1 3.66Å; V128-F183 HydrophobicContact CG2-CE1 3.94Å; V128-F183 HydrophobicContact CG2-CZ 3.84Å; I149-F183 HydrophobicContact CG2-CE2 4.2Å; I149-F183 HydrophobicContact CG2-CZ 4.11Å; L151-F183 HydrophobicContact CD2-CD1 3.99Å; L151-F183 HydrophobicContact CD2-CE1 3.92Å; P152-F183 HydrophobicContact CG-CD2 4.26Å; I155-F183 HydrophobicContact CG2-CB 3.87Å; T160-F183 CarbonylContact C-O 3.55Å; T160-F183 WeakPolarHBondContact CA-O 3.29Å; I161-F183 PolarHBondContact N-O 3.18Å; I161-F183 PolarHBondContact O-N 3.43Å; Y165-F183 HydrophobicContact CE2-CD2 4.36Å; Y165-F183 AromaticContact CE2-CE2 3.8Å; Y165-F183 HydrophobicContact CE2-CE2 3.8Å; Y165-F183 AromaticContact CZ-CE2 3.86Å; L181-F183 HydrophobicContact CB-CD2 4.19Å; L181-F183 HydrophobicContact CB-CE2 3.6Å; L181-F183 HydrophobicContact CB-CZ 4.17Å; L181-F183 HydrophobicContact CD1-CE2 3.79Å; L181-F183 HydrophobicContact CD1-CZ 3.68Å; L181-F183 HydrophobicContact CG-CE2 4.38Å |
| 184 | S | 98.1 | Very high | 84.9 | Confident | 22 Ų | 22 | 59 Ų | 59 | 15% | 0.154 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 158.3 | 163.2 | 70.1 | 0 | 0 | 0 | 0 | 110.7 | N69 | N69-S184 WeakPolarHBondContact CB-OG 3.22Å; N69-S184 PolarHBondContact N-O 2.91Å; N69-S184 PolarHBondContact ND2-OG 2.78Å; N69-S184 VanDerWaalsContact ND2-OG 3.1Å; N69-S184 PolarHBondContact O-N 3.04Å |
| 185 | L | 97.2 | Very high | 82.6 | Confident | 16 Ų | 16 | 65.3 Ų | 65.3 | 8% | 0.084 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 113.9 | 178.3 | -172.3 | 77.8 | 0 | 0 | 0 | 109.9 | R67 L68 L121 I155 F156 | R67-L185 WeakPolarHBondContact O-CA 3.36Å; L68-L185 HydrophobicContact CB-CD1 4Å; L68-L185 HydrophobicContact CD1-CD1 4.35Å; L121-L185 HydrophobicContact CB-CD1 4.14Å; L121-L185 HydrophobicContact CD2-CD1 3.85Å; I155-L185 HydrophobicContact CB-CB 4.21Å; I155-L185 HydrophobicContact CG1-CB 4.07Å; I155-L185 WeakPolarHBondContact O-CB 3.27Å; F156-L185 HydrophobicContact CD1-CD2 3.44Å; F156-L185 VanDerWaalsContact CD1-CD2 3.44Å; F156-L185 HydrophobicContact CE1-CD2 3.81Å; F156-L185 HydrophobicContact CG-CD2 4.32Å |
| 186 | D | 94.1 | Very high | 80.2 | Confident | 53 Ų | 53 | 67.2 Ų | 67.2 | 28% | 0.283 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 136.2 | 174.1 | -55.3 | -45.7 | 0 | 0 | 0 | 110.1 | G66 R67 N69 | G66-D186 WeakPolarHBondContact CA-O 3.49Å; R67-D186 HydrophobicContact CB-CB 4.32Å; R67-D186 IonicContact CZ-OD2 3.03Å; R67-D186 VanDerWaalsContact CZ-OD2 3.31Å; R67-D186 PolarHBondContact N-O 3.07Å; R67-D186 IonicContact NE-OD2 2.65Å; R67-D186 PolarHBondContact NE-OD2 2.88Å; R67-D186 VanDerWaalsContact NE-OD2 3.08Å; R67-D186 IonicContact NH2-OD2 3.28Å; R67-D186 PolarHBondContact NH2-OD2 3.32Å; R67-D186 PolarHBondContact O-N 3.47Å; N69-D186 PolarHBondContact ND2-OD2 3Å |
| 187 | P | 87.4 | Confident | 77.9 | Confident | 117 Ų | 117 | 72.1 Ų | 72.1 | 76% | 0.76 | 41% | 0.41 | S | S | * | . | trans | -65.5 | 143.1 | 174.3 | 27.8 | -33.9 | 0 | 0 | 0 | 110.7 | A189 | P187-A189 PolarHBondContact O-N 3.12Š| ||
| 188 | I | 80.8 | Confident | 75.2 | Confident | 49 Ų | 49 | 76.8 Ų | 76.8 | 25% | 0.251 | 44% | 0.441 | S | S | . | . | trans | -84.3 | 108 | 171.5 | -65.7 | 153.1 | 0 | 0 | 0 | 108 | L60 T64 Y120 I190 | L60-I188 HydrophobicContact CD1-CD1 3.78Å; L60-I188 HydrophobicContact CD1-CG1 4.36Å; L60-I188 HydrophobicContact CD1-CG2 4.21Å; L60-I188 HydrophobicContact CD2-CG2 3.81Å; T64-I188 HydrophobicContact CG2-CD1 3.23Å; Y120-I188 HydrophobicContact CD1-CD1 4.41Å; I188-I190 HydrophobicContact CG2-CG1 4.3Å; I188-I190 PolarHBondContact O-N 2.81Å | ||
| 189 | A | 68.4 | Low | 72.8 | Confident | 70 Ų | 70 | 78.5 Ų | 78.5 | 58% | 0.579 | 46% | 0.461 | S | S | * | . | trans | -69.9 | 100.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | P187 P191 | P187-A189 PolarHBondContact O-N 3.12Å; A189-P191 VanDerWaalsContact O-CD 3.26Å; A189-P191 WeakPolarHBondContact O-CD 3.47Å | ||
| 190 | I | 62.3 | Low | 70.4 | Confident | 125 Ų | 125 | 87 Ų | 87 | 64% | 0.641 | 51% | 0.505 | S | S | * | . | trans | -73.8 | 114.6 | 163.3 | -56 | 173.1 | 0 | 0 | 0 | 105.4 | I188 Q192 | I188-I190 HydrophobicContact CG2-CG1 4.3Å; I188-I190 PolarHBondContact O-N 2.81Å; I190-Q192 PolarHBondContact O-N 2.85Å | ||
| 191 | P | 55.9 | Low | 68.1 | Low | 94 Ų | 94 | 95 Ų | 95 | 61% | 0.61 | 54% | 0.542 | S | S | * | . | trans | -59.8 | 111.8 | 171.1 | 23.6 | -29.7 | 0 | 0 | 0 | 107.2 | A189 I193 | A189-P191 VanDerWaalsContact O-CD 3.26Å; A189-P191 WeakPolarHBondContact O-CD 3.47Å; P191-I193 PolarHBondContact O-N 3.19Å | ||
| 192 | Q | 53.2 | Low | 65.7 | Low | 180 Ų | 180 | 104 Ų | 104 | 84% | 0.841 | 58% | 0.584 | S | S | * | * | trans | -64 | 108.3 | 172.9 | -61.5 | -110.3 | -39.9 | 0 | 0 | 105.8 | I190 G194 | I190-Q192 PolarHBondContact O-N 2.85Å; Q192-G194 PolarHBondContact O-N 2.8Å | ||
| 193 | I | 53 | Low | 63.1 | Low | 137 Ų | 137 | 110.2 Ų | 110.2 | 70% | 0.703 | 61% | 0.612 | S | S | * | * | trans | -67.7 | 88.1 | 167.1 | -60.7 | 175.7 | 0 | 0 | 0 | 105.1 | F56 P191 H195 | F56-I193 HydrophobicContact CE2-CD1 4.37Å; F56-I193 HydrophobicContact CZ-CD1 4.1Å; P191-I193 PolarHBondContact O-N 3.19Å; I193-H195 PolarHBondContact O-N 2.78Å | ||
| 194 | G | 47.8 | Very low | 60.5 | Low | 53 Ų | 53 | 116.6 Ų | 116.6 | 55% | 0.546 | 65% | 0.651 | S | S | . | * | trans | -55 | 123.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | Q192 L196 | Q192-G194 PolarHBondContact O-N 2.8Å; G194-L196 PolarHBondContact O-N 2.84Å | ||
| 195 | H | 49.3 | Very low | 58 | Low | 168 Ų | 168 | 125 Ų | 125 | 78% | 0.778 | 69% | 0.686 | S | S | * | * | trans | -44.1 | 101.5 | 175.2 | -65.5 | -81.6 | 0 | 0 | 0 | 111.5 | I193 T197 | I193-H195 PolarHBondContact O-N 2.78Å; H195-T197 HydrophobicContact CB-CG2 4.07Å; H195-T197 PolarHBondContact O-N 2.81Å | ||
| 196 | L | 48.3 | Very low | 55.8 | Low | 180 Ų | 180 | 128.5 Ų | 128.5 | 94% | 0.942 | 72% | 0.717 | S | S | * | * | trans | -75.4 | 66.2 | 160.1 | -70.2 | 174 | 0 | 0 | 0 | 108.1 | G194 | G194-L196 PolarHBondContact O-N 2.84Š| ||
| 197 | T | 49.9 | Very low | 53.2 | Low | 103 Ų | 103 | 132.3 Ų | 132.3 | 63% | 0.632 | 75% | 0.745 | S | S | * | * | trans | -95.1 | 95.3 | 170.7 | 59.4 | 0 | 0 | 0 | 0 | 109 | H195 | H195-T197 HydrophobicContact CB-CG2 4.07Å; H195-T197 PolarHBondContact O-N 2.81Å | ||
| 198 | S | 42.2 | Very low | 51.4 | Low | 110 Ų | 110 | 131.8 Ų | 131.8 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | trans | 53.3 | 99.9 | 138.4 | 54.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 199 | S | 47.3 | Very low | 49.5 | Very low | 117 Ų | 117 | 136.8 Ų | 136.8 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -124 | 66.3 | 145.3 | 66.8 | 0 | 0 | 0 | 0 | 110.3 | Q201 | S199-Q201 PolarHBondContact O-N 2.83Š| ||
| 200 | L | 49.1 | Very low | 48.2 | Very low | 179 Ų | 179 | 136.9 Ų | 136.9 | 94% | 0.937 | 79% | 0.785 | S | S | * | * | trans | -82.1 | 76 | 155.2 | -85.8 | 165.2 | 0 | 0 | 0 | 107.1 | Q202 | L200-Q202 PolarHBondContact O-N 3.39Š| ||
| 201 | Q | 50.1 | Low | 47.1 | Very low | 177 Ų | 177 | 138.2 Ų | 138.2 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | trans | -68.8 | 122.2 | 166 | -91 | -179.3 | -4.5 | 0 | 0 | 108.6 | S199 Q203 | S199-Q201 PolarHBondContact O-N 2.83Å; Q201-Q203 PolarHBondContact O-N 2.96Å; Q201-Q203 VanDerWaalsContact O-N 3.17Å | ||
| 202 | Q | 48.1 | Very low | 46.4 | Very low | 189 Ų | 189 | 141.7 Ų | 141.7 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | trans | -43.4 | 114.2 | 167.4 | -102.5 | 162.5 | -7.4 | 0 | 0 | 111 | L200 T204 | L200-Q202 PolarHBondContact O-N 3.39Å; Q202-T204 PolarHBondContact O-N 3.42Å | ||
| 203 | Q | 43.8 | Very low | 46 | Very low | 175 Ų | 175 | 139.5 Ų | 139.5 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -77.3 | 100.7 | 169.2 | -73.7 | -179.2 | -7 | 0 | 0 | 109.2 | Q201 | Q201-Q203 PolarHBondContact O-N 2.96Å; Q201-Q203 VanDerWaalsContact O-N 3.17Å | ||
| 204 | T | 45.2 | Very low | 45.2 | Very low | 134 Ų | 134 | 140.2 Ų | 140.2 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | -91.5 | 118.4 | 158.9 | 45.4 | 0 | 0 | 0 | 0 | 108.9 | Q202 A206 | Q202-T204 PolarHBondContact O-N 3.42Å; T204-A206 PolarHBondContact O-N 2.97Å | ||
| 205 | F | 44.5 | Very low | 45 | Very low | 199 Ų | 199 | 147.2 Ų | 147.2 | 87% | 0.873 | 83% | 0.829 | S | S | * | * | trans | -63.3 | 121.6 | -178.9 | -77.3 | -102.7 | 0 | 0 | 0 | 112.2 | ||||
| 206 | A | 52.2 | Low | 44.6 | Very low | 90 Ų | 90 | 143.5 Ų | 143.5 | 74% | 0.744 | 83% | 0.828 | S | S | * | * | trans | -148 | 131.8 | 156.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | T204 | T204-A206 PolarHBondContact O-N 2.97Š| ||
| 207 | P | 39.4 | Very low | 44.1 | Very low | 133 Ų | 133 | 140 Ų | 140 | 86% | 0.864 | 83% | 0.825 | S | S | * | * | trans | -94.8 | 123 | -179.5 | 34.1 | -26.6 | 0 | 0 | 0 | 110.1 | ||||
| 208 | S | 48.8 | Very low | 43.7 | Very low | 106 Ų | 106 | 141 Ų | 141 | 74% | 0.741 | 83% | 0.83 | S | S | * | * | trans | -156.9 | 100.5 | 157.9 | 60.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 209 | T | 41.1 | Very low | 43.8 | Very low | 153 Ų | 153 | 139.3 Ų | 139.3 | 94% | 0.939 | 83% | 0.831 | S | S | * | * | 23.1 | 113.6 | 130 | -18.9 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 210 | G | 40.1 | Very low | 43.8 | Very low | 73 Ų | 73 | 143.1 Ų | 143.1 | 75% | 0.753 | 84% | 0.836 | S | S | * | * | trans | 158.8 | 100 | 163 | 0 | 0 | 0 | 0 | 0 | 113.3 | N212 | G210-N212 PolarHBondContact O-N 3.23Š| ||
| 211 | N | 39.4 | Very low | 44.1 | Very low | 153 Ų | 153 | 139 Ų | 139 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -35.9 | 129.7 | 169.1 | -67.2 | -17.2 | 0 | 0 | 0 | 112.9 | ||||
| 212 | N | 42.6 | Very low | 44.7 | Very low | 167 Ų | 167 | 135 Ų | 135 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | trans | -156.2 | 143.1 | 134.5 | -100 | -56.5 | 0 | 0 | 0 | 111.5 | G210 | G210-N212 PolarHBondContact O-N 3.23Š| ||
| 213 | V | 43.1 | Very low | 45.9 | Very low | 134 Ų | 134 | 127.4 Ų | 127.4 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | trans | -82.6 | 140.5 | -159.1 | 177.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 214 | N | 37.5 | Very low | 47.6 | Very low | 152 Ų | 152 | 122.8 Ų | 122.8 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | trans | -39.8 | 131.7 | 169.2 | -68.7 | -32.1 | 0 | 0 | 0 | 113.6 | ||||
| 215 | Q | 43.7 | Very low | 49.4 | Very low | 199 Ų | 199 | 121.8 Ų | 121.8 | 93% | 0.93 | 74% | 0.738 | S | S | * | * | trans | -136.1 | 97.2 | 146.9 | -106.8 | 174.2 | 56.3 | 0 | 0 | 108 | A217 | Q215-A217 PolarHBondContact O-N 3.48Š| ||
| 216 | A | 39.8 | Very low | 51.2 | Low | 91 Ų | 91 | 115.3 Ų | 115.3 | 75% | 0.752 | 72% | 0.721 | S | S | * | * | trans | -73.1 | 117.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | T218 | A216-T218 PolarHBondContact O-N 2.91Å; A216-T218 VanDerWaalsContact O-N 3.09Å | ||
| 217 | A | 38.3 | Very low | 52.7 | Low | 107 Ų | 107 | 111.7 Ų | 111.7 | 88% | 0.884 | 69% | 0.689 | S | S | * | * | trans | -70.4 | 99.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | Q215 | Q215-A217 PolarHBondContact O-N 3.48Š| ||
| 218 | T | 41.3 | Very low | 55 | Low | 122 Ų | 122 | 105.4 Ų | 105.4 | 75% | 0.748 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 129.2 | 168 | 41.3 | 0 | 0 | 0 | 0 | 108.8 | A216 Q220 | A216-T218 PolarHBondContact O-N 2.91Å; A216-T218 VanDerWaalsContact O-N 3.09Å; T218-Q220 PolarHBondContact O-N 2.98Å; T218-Q220 VanDerWaalsContact O-N 3.16Å |
| 219 | G | 44.3 | Very low | 56.8 | Low | 76 Ų | 76 | 103.6 Ų | 103.6 | 78% | 0.784 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 119.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110 | L221 | G219-L221 PolarHBondContact O-N 3.35Š|
| 220 | Q | 47.6 | Very low | 59 | Low | 196 Ų | 196 | 101.1 Ų | 101.1 | 92% | 0.916 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 116.1 | -178.3 | -73.4 | 179.8 | -66.8 | 0 | 0 | 109.8 | T218 | T218-Q220 PolarHBondContact O-N 2.98Å; T218-Q220 VanDerWaalsContact O-N 3.16Å |
| 221 | L | 55.4 | Low | 61.2 | Low | 92 Ų | 92 | 98 Ų | 98 | 48% | 0.482 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -55.2 | 140.3 | 162.2 | -75.9 | 143.9 | 0 | 0 | 0 | 108.9 | G219 F223 E248 | G219-L221 PolarHBondContact O-N 3.35Å; L221-F223 HydrophobicContact CB-CD1 4.22Å; L221-F223 HydrophobicContact CB-CE1 4.05Å; L221-F223 HydrophobicContact CB-CZ 4.45Å; L221-F223 HydrophobicContact CD2-CE1 3.66Å; L221-F223 HydrophobicContact CD2-CZ 4.02Å; L221-F223 HydrophobicContact CG-CE1 4.38Å; L221-F223 PolarHBondContact O-N 3.06Å; L221-E248 HydrophobicContact CD2-CG 4.29Å |
| 222 | P | 63.5 | Low | 63.6 | Low | 94 Ų | 94 | 93.4 Ų | 93.4 | 61% | 0.61 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -72 | 16.7 | -177.9 | 29.3 | -34.7 | 0 | 0 | 0 | 114.4 | ||
| 223 | F | 71.4 | Confident | 65.7 | Low | 29 Ų | 29 | 93.3 Ų | 93.3 | 13% | 0.127 | 54% | 0.542 | C | S | . | . | S | Bend | trans | -141.5 | 152.4 | 176.9 | 62.8 | -88.6 | 0 | 0 | 0 | 110.4 | L221 D227 V228 A244 L247 E248 | L221-F223 HydrophobicContact CB-CD1 4.22Å; L221-F223 HydrophobicContact CB-CE1 4.05Å; L221-F223 HydrophobicContact CB-CZ 4.45Å; L221-F223 HydrophobicContact CD2-CE1 3.66Å; L221-F223 HydrophobicContact CD2-CZ 4.02Å; L221-F223 HydrophobicContact CG-CE1 4.38Å; L221-F223 PolarHBondContact O-N 3.06Å; F223-D227 VanDerWaalsContact CA-OD2 3.3Å; F223-D227 WeakPolarHBondContact CA-OD2 3.47Å; F223-D227 HydrophobicContact CB-CB 4.4Å; F223-D227 WeakPolarHBondContact CB-OD2 3.39Å; F223-V228 HydrophobicContact CD2-CG2 3.99Å; F223-V228 HydrophobicContact CE2-CG2 3.92Å; F223-A244 HydrophobicContact CE2-CB 4.45Å; F223-L247 HydrophobicContact CB-CD2 3.69Å; F223-L247 HydrophobicContact CD1-CB 4.19Å; F223-L247 HydrophobicContact CD1-CD2 4.17Å; F223-L247 HydrophobicContact CD2-CB 4.33Å; F223-L247 HydrophobicContact CD2-CD1 4.28Å; F223-L247 HydrophobicContact CD2-CD2 4.36Å; F223-L247 HydrophobicContact CE1-CB 4.17Å; F223-L247 HydrophobicContact CE2-CB 4.31Å; F223-L247 HydrophobicContact CG-CB 4.27Å; F223-L247 HydrophobicContact CG-CD2 3.84Å; F223-L247 HydrophobicContact CG-CG 4.47Å; F223-L247 HydrophobicContact CZ-CB 4.22Å; F223-E248 HydrophobicContact CE1-CB 4.13Å; F223-E248 HydrophobicContact CZ-CB 4.4Å |
| 224 | T | 80.6 | Confident | 67.7 | Low | 78 Ų | 78 | 92 Ų | 92 | 48% | 0.479 | 53% | 0.528 | S | S | . | . | trans | -100.4 | 160.2 | 179.8 | 75 | 0 | 0 | 0 | 0 | 111.1 | A226 D227 V228 | T224-A226 PolarHBondContact O-N 2.92Å; T224-A226 WeakPolarHBondContact OG1-CB 3.34Å; T224-A226 PolarHBondContact OG1-N 3.43Å; T224-D227 PolarHBondContact N-OD2 3.17Å; T224-D227 VanDerWaalsContact O-CB 3.27Å; T224-D227 WeakPolarHBondContact O-CB 3.47Å; T224-D227 PolarHBondContact O-N 2.87Å; T224-D227 PolarHBondContact OG1-N 3.11Å; T224-D227 PolarHBondContact OG1-OD1 3.48Å; T224-V228 PolarHBondContact O-N 3.33Å | ||
| 225 | Q | 82.6 | Confident | 70 | Confident | 113 Ų | 113 | 85.7 Ų | 85.7 | 53% | 0.528 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.2 | -26.9 | 171 | -173.6 | 62.8 | 43.8 | 0 | 0 | 111.8 | D227 V228 N229 | Q225-D227 PolarHBondContact O-N 3.34Å; Q225-V228 PolarHBondContact O-N 2.88Å; Q225-N229 PolarHBondContact NE2-OD1 2.94Å; Q225-N229 PolarHBondContact O-N 3.15Å; Q225-N229 PolarHBondContact O-OD1 3.38Å |
| 226 | A | 83.4 | Confident | 72.1 | Confident | 63 Ų | 63 | 81 Ų | 81 | 52% | 0.521 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.5 | -33.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | T224 N229 E230 | T224-A226 PolarHBondContact O-N 2.92Å; T224-A226 WeakPolarHBondContact OG1-CB 3.34Å; T224-A226 PolarHBondContact OG1-N 3.43Å; A226-N229 PolarHBondContact O-N 3.32Å; A226-E230 WeakPolarHBondContact O-CB 3.4Å; A226-E230 PolarHBondContact O-N 3.24Å |
| 227 | D | 83.6 | Confident | 74.2 | Confident | 15 Ų | 15 | 81.7 Ų | 81.7 | 8% | 0.08 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -69.4 | -38.4 | 178.4 | -50.1 | -7.9 | 0 | 0 | 0 | 111 | F223 T224 Q225 L231 R254 | F223-D227 VanDerWaalsContact CA-OD2 3.3Å; F223-D227 WeakPolarHBondContact CA-OD2 3.47Å; F223-D227 HydrophobicContact CB-CB 4.4Å; F223-D227 WeakPolarHBondContact CB-OD2 3.39Å; T224-D227 PolarHBondContact N-OD2 3.17Å; T224-D227 VanDerWaalsContact O-CB 3.27Å; T224-D227 WeakPolarHBondContact O-CB 3.47Å; T224-D227 PolarHBondContact O-N 2.87Å; T224-D227 PolarHBondContact OG1-N 3.11Å; T224-D227 PolarHBondContact OG1-OD1 3.48Å; Q225-D227 PolarHBondContact O-N 3.34Å; D227-L231 WeakPolarHBondContact O-CG 3.39Å; D227-L231 PolarHBondContact O-N 2.88Å; D227-R254 IonicContact OD1-CZ 3.57Å; D227-R254 IonicContact OD1-NH2 2.64Å; D227-R254 PolarHBondContact OD1-NH2 2.92Å; D227-R254 IonicContact OD2-NE 3.98Å; D227-R254 IonicContact OD2-NH2 3.62Å |
| 228 | V | 87.1 | Confident | 76.4 | Confident | 1 Ų | 1 | 77.5 Ų | 77.5 | 1% | 0.006 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -65 | -45.1 | 174.8 | 179.1 | 0 | 0 | 0 | 0 | 110 | F223 T224 Q225 L231 H232 E240 I243 A244 L247 | F223-V228 HydrophobicContact CD2-CG2 3.99Å; F223-V228 HydrophobicContact CE2-CG2 3.92Å; T224-V228 PolarHBondContact O-N 3.33Å; Q225-V228 PolarHBondContact O-N 2.88Å; V228-L231 PolarHBondContact O-N 3.02Å; V228-H232 WeakPolarHBondContact O-CB 3.18Å; V228-H232 PolarHBondContact O-N 3.01Å; V228-E240 HydrophobicContact CG1-CB 4.01Å; V228-E240 HydrophobicContact CG1-CG 4.39Å; V228-I243 HydrophobicContact CG1-CB 4.32Å; V228-I243 HydrophobicContact CG1-CG2 4.03Å; V228-A244 HydrophobicContact CG2-CB 4.25Å; V228-L247 HydrophobicContact CG2-CD1 4.09Å |
| 229 | N | 87 | Confident | 78.6 | Confident | 68 Ų | 68 | 77.2 Ų | 77.2 | 36% | 0.364 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.4 | -41.3 | 179.3 | -65.5 | 3.9 | 0 | 0 | 0 | 112.1 | Q225 A226 L231 H232 E233 | Q225-N229 PolarHBondContact NE2-OD1 2.94Å; Q225-N229 PolarHBondContact O-N 3.15Å; Q225-N229 PolarHBondContact O-OD1 3.38Å; A226-N229 PolarHBondContact O-N 3.32Å; N229-L231 VanDerWaalsContact C-N 3.35Å; N229-L231 PolarHBondContact O-N 3.45Å; N229-H232 PolarHBondContact O-N 3.48Å; N229-E233 PolarHBondContact O-N 3.43Å |
| 230 | E | 86.7 | Confident | 80.7 | Confident | 100 Ų | 100 | 77.7 Ų | 77.7 | 47% | 0.467 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.9 | -41.6 | 177.2 | -172.2 | 178.9 | -175.1 | 0 | 0 | 111.6 | A226 E233 M234 R254 | A226-E230 WeakPolarHBondContact O-CB 3.4Å; A226-E230 PolarHBondContact O-N 3.24Å; E230-E233 PolarHBondContact O-N 2.98Å; E230-M234 PolarHBondContact O-N 3.48Å; E230-R254 IonicContact OE2-CZ 2.64Å; E230-R254 IonicContact OE2-NH1 2.78Å; E230-R254 PolarHBondContact OE2-NH1 2.88Å |
| 231 | L | 86.6 | Confident | 82.6 | Confident | 7 Ų | 7 | 75 Ų | 75 | 4% | 0.037 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -70.9 | -32.9 | 175.4 | -71.3 | 169.9 | 0 | 0 | 0 | 112.6 | D227 V228 N229 E233 M234 F235 I243 L247 T257 V258 | D227-L231 WeakPolarHBondContact O-CG 3.39Å; D227-L231 PolarHBondContact O-N 2.88Å; V228-L231 PolarHBondContact O-N 3.02Å; N229-L231 VanDerWaalsContact C-N 3.35Å; N229-L231 PolarHBondContact O-N 3.45Å; L231-E233 VanDerWaalsContact C-N 3.34Å; L231-M234 HydrophobicContact CD2-SD 4.28Å; L231-M234 WeakPolarHBondContact O-CB 3.38Å; L231-M234 PolarHBondContact O-N 3.07Å; L231-F235 WeakPolarHBondContact O-CD2 3.05Å; L231-F235 PolarHBondContact O-N 2.75Å; L231-I243 HydrophobicContact CB-CD1 4.38Å; L231-I243 HydrophobicContact CB-CG2 3.65Å; L231-I243 HydrophobicContact CD1-CG2 3.78Å; L231-I243 HydrophobicContact CG-CG2 4.41Å; L231-L247 HydrophobicContact CD1-CD1 3.38Å; L231-L247 HydrophobicContact CD1-CG 4.06Å; L231-T257 HydrophobicContact CD1-CG2 3.73Å; L231-V258 HydrophobicContact CD2-CG2 3.59Å |
| 232 | H | 88.5 | Confident | 84.1 | Confident | 57 Ų | 57 | 73.5 Ų | 73.5 | 26% | 0.264 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -67.8 | -33.8 | 175 | -174.6 | -95.1 | 0 | 0 | 0 | 111.8 | V228 N229 M234 F235 P236 I238 E240 I243 | V228-H232 WeakPolarHBondContact O-CB 3.18Å; V228-H232 PolarHBondContact O-N 3.01Å; N229-H232 PolarHBondContact O-N 3.48Å; H232-M234 VanDerWaalsContact C-N 3.26Å; H232-M234 PolarHBondContact O-N 3.11Å; H232-F235 CarbonylContact O-C 3.52Å; H232-F235 VanDerWaalsContact O-C 3.26Å; H232-F235 PolarHBondContact O-N 3.11Å; H232-P236 WeakPolarHBondContact O-CA 3.43Å; H232-I238 PolarHBondContact CD2-O 2.82Å; H232-E240 HydrophobicContact CB-CG 4.29Å; H232-I243 HydrophobicContact CB-CD1 3.78Å |
| 233 | E | 88.4 | Confident | 85.2 | Confident | 165 Ų | 165 | 69 Ų | 69 | 77% | 0.771 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -62.9 | -32.6 | 170.5 | -73.6 | -174.2 | 176.2 | 0 | 0 | 112.4 | N229 E230 L231 | N229-E233 PolarHBondContact O-N 3.43Å; E230-E233 PolarHBondContact O-N 2.98Å; L231-E233 VanDerWaalsContact C-N 3.34Å |
| 234 | M | 84.5 | Confident | 86 | Confident | 108 Ų | 108 | 69 Ų | 69 | 53% | 0.532 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -77.3 | -33.4 | 175.9 | -63.9 | 175.9 | 63.8 | 0 | 0 | 112.9 | E230 L231 H232 P236 V258 | E230-M234 PolarHBondContact O-N 3.48Å; L231-M234 HydrophobicContact CD2-SD 4.28Å; L231-M234 WeakPolarHBondContact O-CB 3.38Å; L231-M234 PolarHBondContact O-N 3.07Å; H232-M234 VanDerWaalsContact C-N 3.26Å; H232-M234 PolarHBondContact O-N 3.11Å; M234-P236 VanDerWaalsContact C-CD 3.49Å; M234-P236 WeakPolarHBondContact O-CD 3.22Å; M234-V258 HydrophobicContact CE-CG1 4.36Å; M234-V258 HydrophobicContact CE-CG2 4.14Å |
| 235 | F | 86.3 | Confident | 86.2 | Confident | 19 Ų | 19 | 68.5 Ų | 68.5 | 8% | 0.083 | 38% | 0.376 | C | S | . | . | trans | -127.6 | 69 | -176.2 | -60.6 | -78.9 | 0 | 0 | 0 | 111.8 | L231 H232 T237 I238 V258 L261 L262 | L231-F235 WeakPolarHBondContact O-CD2 3.05Å; L231-F235 PolarHBondContact O-N 2.75Å; H232-F235 CarbonylContact O-C 3.52Å; H232-F235 VanDerWaalsContact O-C 3.26Å; H232-F235 PolarHBondContact O-N 3.11Å; F235-T237 PolarHBondContact O-N 3.11Å; F235-I238 HydrophobicContact CB-CB 4.27Å; F235-I238 HydrophobicContact CB-CD1 3.99Å; F235-I238 HydrophobicContact CB-CG1 4.15Å; F235-I238 HydrophobicContact CD1-CD1 4.37Å; F235-I238 HydrophobicContact CG-CD1 4.28Å; F235-I238 PolarHBondContact O-N 2.52Å; F235-V258 HydrophobicContact CE2-CG1 4.38Å; F235-V258 HydrophobicContact CZ-CG1 4.26Å; F235-L261 HydrophobicContact CD2-CB 4.09Å; F235-L261 HydrophobicContact CD2-CD1 3.74Å; F235-L261 HydrophobicContact CE1-CB 4.37Å; F235-L261 HydrophobicContact CE2-CB 3.94Å; F235-L261 HydrophobicContact CE2-CD1 3.99Å; F235-L261 HydrophobicContact CG-CB 4.38Å; F235-L261 HydrophobicContact CG-CD1 4.48Å; F235-L261 HydrophobicContact CZ-CB 4.08Å; F235-L262 HydrophobicContact CE1-CD2 3.82Å; F235-L262 HydrophobicContact CE1-CG 4.12Å; F235-L262 HydrophobicContact CZ-CD2 3.99Å; F235-L262 HydrophobicContact CZ-CG 3.91Å | ||
| 236 | P | 86.2 | Confident | 86.4 | Confident | 99 Ų | 99 | 63.7 Ų | 63.7 | 64% | 0.643 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -6.5 | -175.9 | 25.6 | -34.2 | 0 | 0 | 0 | 114.3 | H232 M234 | H232-P236 WeakPolarHBondContact O-CA 3.43Å; M234-P236 VanDerWaalsContact C-CD 3.49Å; M234-P236 WeakPolarHBondContact O-CD 3.22Å |
| 237 | T | 84.1 | Confident | 86.6 | Confident | 107 Ų | 107 | 60.7 Ų | 60.7 | 66% | 0.656 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -11.2 | 173.8 | 51.7 | 0 | 0 | 0 | 0 | 113.6 | F235 N265 | F235-T237 PolarHBondContact O-N 3.11Å; T237-N265 PolarHBondContact OG1-ND2 2.91Å; T237-N265 VanDerWaalsContact OG1-ND2 3.15Å; T237-N265 PolarHBondContact OG1-OD1 3.2Å; T237-N265 VanDerWaalsContact OG1-OD1 3.07Å |
| 238 | I | 84.3 | Confident | 86.6 | Confident | 18 Ų | 18 | 65.9 Ų | 65.9 | 9% | 0.092 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -109 | 129.8 | -176 | -58 | -178.5 | 0 | 0 | 0 | 109.3 | H232 F235 V242 I243 L261 N265 | H232-I238 PolarHBondContact CD2-O 2.82Å; F235-I238 HydrophobicContact CB-CB 4.27Å; F235-I238 HydrophobicContact CB-CD1 3.99Å; F235-I238 HydrophobicContact CB-CG1 4.15Å; F235-I238 HydrophobicContact CD1-CD1 4.37Å; F235-I238 HydrophobicContact CG-CD1 4.28Å; F235-I238 PolarHBondContact O-N 2.52Å; I238-V242 HydrophobicContact CG2-CB 3.79Å; I238-V242 HydrophobicContact CG2-CG1 3.82Å; I238-I243 HydrophobicContact CB-CG1 4.48Å; I238-I243 HydrophobicContact CG2-CD1 4.47Å; I238-I243 HydrophobicContact CG2-CG1 3.9Å; I238-L261 HydrophobicContact CD1-CB 4.07Å; I238-L261 HydrophobicContact CD1-CD2 3.75Å; I238-L261 HydrophobicContact CD1-CG 4.43Å; I238-L261 HydrophobicContact CG2-CD2 4.16Å; I238-N265 WeakPolarHBondContact CD1-ND2 3.31Å |
| 239 | D | 89.2 | Confident | 86.5 | Confident | 117 Ų | 117 | 72 Ų | 72 | 63% | 0.626 | 38% | 0.382 | S | S | * | . | trans | -63.5 | 145.1 | 178.8 | -65.1 | -50.2 | 0 | 0 | 0 | 112.8 | D241 V242 I243 | D239-D241 PolarHBondContact O-N 2.88Å; D239-V242 HydrophobicContact CB-CG2 4.32Å; D239-V242 WeakPolarHBondContact O-CB 3.16Å; D239-V242 PolarHBondContact O-N 2.86Å; D239-I243 PolarHBondContact O-N 2.99Å; D239-I243 VanDerWaalsContact O-N 3.17Å | ||
| 240 | E | 88.2 | Confident | 86.4 | Confident | 85 Ų | 85 | 72.2 Ų | 72.2 | 40% | 0.397 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -55 | -34.9 | 178.6 | -67.3 | -176.5 | -173.1 | 0 | 0 | 113 | V228 H232 V242 I243 A244 | V228-E240 HydrophobicContact CG1-CB 4.01Å; V228-E240 HydrophobicContact CG1-CG 4.39Å; H232-E240 HydrophobicContact CB-CG 4.29Å; E240-V242 VanDerWaalsContact C-N 3.35Å; E240-V242 PolarHBondContact O-N 2.82Å; E240-I243 PolarHBondContact O-N 3.03Å; E240-A244 WeakPolarHBondContact O-CB 3.08Å; E240-A244 PolarHBondContact O-N 3.41Å |
| 241 | D | 86.7 | Confident | 86.1 | Confident | 140 Ų | 140 | 76.6 Ų | 76.6 | 75% | 0.749 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -65.2 | -37.2 | 178.1 | -69.6 | -28.7 | 0 | 0 | 0 | 112.3 | D239 S245 | D239-D241 PolarHBondContact O-N 2.88Å; D241-S245 WeakPolarHBondContact O-CB 3.46Å; D241-S245 PolarHBondContact O-N 2.97Å |
| 242 | V | 87.6 | Confident | 85.6 | Confident | 60 Ų | 60 | 77.1 Ų | 77.1 | 36% | 0.364 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -69.4 | -43.9 | 176.8 | 178.3 | 0 | 0 | 0 | 0 | 109.3 | I238 D239 E240 A244 S245 V246 | I238-V242 HydrophobicContact CG2-CB 3.79Å; I238-V242 HydrophobicContact CG2-CG1 3.82Å; D239-V242 HydrophobicContact CB-CG2 4.32Å; D239-V242 WeakPolarHBondContact O-CB 3.16Å; D239-V242 PolarHBondContact O-N 2.86Å; E240-V242 VanDerWaalsContact C-N 3.35Å; E240-V242 PolarHBondContact O-N 2.82Å; V242-A244 VanDerWaalsContact C-N 3.34Å; V242-A244 PolarHBondContact O-N 3.17Å; V242-S245 PolarHBondContact O-N 2.97Å; V242-V246 HydrophobicContact CG1-CG2 4.43Å; V242-V246 VanDerWaalsContact O-CG2 3.31Å; V242-V246 WeakPolarHBondContact O-CG2 3.15Å; V242-V246 PolarHBondContact O-N 3.33Å |
| 243 | I | 87.1 | Confident | 85.4 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -58.5 | -47.1 | 176.2 | -65.4 | 173.8 | 0 | 0 | 0 | 110.4 | V228 L231 H232 I238 D239 E240 S245 V246 L247 L261 | V228-I243 HydrophobicContact CG1-CB 4.32Å; V228-I243 HydrophobicContact CG1-CG2 4.03Å; L231-I243 HydrophobicContact CB-CD1 4.38Å; L231-I243 HydrophobicContact CB-CG2 3.65Å; L231-I243 HydrophobicContact CD1-CG2 3.78Å; L231-I243 HydrophobicContact CG-CG2 4.41Å; H232-I243 HydrophobicContact CB-CD1 3.78Å; I238-I243 HydrophobicContact CB-CG1 4.48Å; I238-I243 HydrophobicContact CG2-CD1 4.47Å; I238-I243 HydrophobicContact CG2-CG1 3.9Å; D239-I243 PolarHBondContact O-N 2.99Å; D239-I243 VanDerWaalsContact O-N 3.17Å; E240-I243 PolarHBondContact O-N 3.03Å; I243-S245 PolarHBondContact O-N 3.41Å; I243-V246 PolarHBondContact O-N 2.6Å; I243-L247 HydrophobicContact CG2-CD1 4.07Å; I243-L247 WeakPolarHBondContact O-CB 3.35Å; I243-L247 PolarHBondContact O-N 2.65Å; I243-L261 HydrophobicContact CG1-CD1 4.18Å; I243-L261 HydrophobicContact CG1-CD2 4.27Å |
| 244 | A | 86.7 | Confident | 85.2 | Confident | 28 Ų | 28 | 74.7 Ų | 74.7 | 23% | 0.231 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61.6 | -41.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F223 V228 E240 V242 L247 E248 | F223-A244 HydrophobicContact CE2-CB 4.45Å; V228-A244 HydrophobicContact CG2-CB 4.25Å; E240-A244 WeakPolarHBondContact O-CB 3.08Å; E240-A244 PolarHBondContact O-N 3.41Å; V242-A244 VanDerWaalsContact C-N 3.34Å; V242-A244 PolarHBondContact O-N 3.17Å; A244-L247 PolarHBondContact O-N 3.32Å; A244-E248 WeakPolarHBondContact O-CB 3.03Å; A244-E248 PolarHBondContact O-N 3.16Å |
| 245 | S | 85.4 | Confident | 85.2 | Confident | 69 Ų | 69 | 76 Ų | 76 | 48% | 0.483 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.9 | -43.3 | 176.8 | -175.1 | 0 | 0 | 0 | 0 | 112.3 | D241 V242 I243 E248 E249 | D241-S245 WeakPolarHBondContact O-CB 3.46Å; D241-S245 PolarHBondContact O-N 2.97Å; V242-S245 PolarHBondContact O-N 2.97Å; I243-S245 PolarHBondContact O-N 3.41Å; S245-E248 PolarHBondContact O-N 3.36Å; S245-E249 WeakPolarHBondContact O-CB 3.21Å; S245-E249 PolarHBondContact O-N 2.98Å |
| 246 | V | 86.9 | Confident | 85.2 | Confident | 12 Ų | 12 | 76.6 Ų | 76.6 | 7% | 0.073 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -68.2 | -38.9 | 177 | 179.5 | 0 | 0 | 0 | 0 | 110.7 | V242 I243 E248 E249 K250 T257 A260 L261 L264 | V242-V246 HydrophobicContact CG1-CG2 4.43Å; V242-V246 VanDerWaalsContact O-CG2 3.31Å; V242-V246 WeakPolarHBondContact O-CG2 3.15Å; V242-V246 PolarHBondContact O-N 3.33Å; I243-V246 PolarHBondContact O-N 2.6Å; V246-E248 VanDerWaalsContact C-N 3.34Å; V246-E249 PolarHBondContact O-N 3.19Å; V246-K250 HydrophobicContact CG1-CG 4.35Å; V246-K250 WeakPolarHBondContact O-CB 3.33Å; V246-K250 WeakPolarHBondContact O-CG 3.49Å; V246-K250 PolarHBondContact O-N 2.83Å; V246-T257 HydrophobicContact CB-CG2 4.25Å; V246-T257 HydrophobicContact CG1-CG2 3.8Å; V246-A260 HydrophobicContact CG1-CB 3.76Å; V246-L261 HydrophobicContact CG2-CD2 4.33Å; V246-L264 HydrophobicContact CG2-CD1 4.47Å |
| 247 | L | 86.7 | Confident | 85.2 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.9 | -42 | 173 | -108.3 | 152.8 | 0 | 0 | 0 | 112.3 | F223 V228 L231 I243 A244 K250 R251 G252 T257 | F223-L247 HydrophobicContact CB-CD2 3.69Å; F223-L247 HydrophobicContact CD1-CB 4.19Å; F223-L247 HydrophobicContact CD1-CD2 4.17Å; F223-L247 HydrophobicContact CD2-CB 4.33Å; F223-L247 HydrophobicContact CD2-CD1 4.28Å; F223-L247 HydrophobicContact CD2-CD2 4.36Å; F223-L247 HydrophobicContact CE1-CB 4.17Å; F223-L247 HydrophobicContact CE2-CB 4.31Å; F223-L247 HydrophobicContact CG-CB 4.27Å; F223-L247 HydrophobicContact CG-CD2 3.84Å; F223-L247 HydrophobicContact CG-CG 4.47Å; F223-L247 HydrophobicContact CZ-CB 4.22Å; V228-L247 HydrophobicContact CG2-CD1 4.09Å; L231-L247 HydrophobicContact CD1-CD1 3.38Å; L231-L247 HydrophobicContact CD1-CG 4.06Å; I243-L247 HydrophobicContact CG2-CD1 4.07Å; I243-L247 WeakPolarHBondContact O-CB 3.35Å; I243-L247 PolarHBondContact O-N 2.65Å; A244-L247 PolarHBondContact O-N 3.32Å; L247-K250 CarbonylContact O-C 3.56Å; L247-K250 PolarHBondContact O-N 3.17Å; L247-R251 PolarHBondContact O-N 3.02Å; L247-G252 PolarHBondContact O-N 3.18Å; L247-T257 HydrophobicContact CG-CG2 4.18Å |
| 248 | E | 84.6 | Confident | 85.4 | Confident | 123 Ų | 123 | 68.3 Ų | 68.3 | 58% | 0.575 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -64.3 | -44.8 | 175 | -173.2 | 174.2 | -159.3 | 0 | 0 | 111 | L221 F223 A244 S245 V246 K250 R251 | L221-E248 HydrophobicContact CD2-CG 4.29Å; F223-E248 HydrophobicContact CE1-CB 4.13Å; F223-E248 HydrophobicContact CZ-CB 4.4Å; A244-E248 WeakPolarHBondContact O-CB 3.03Å; A244-E248 PolarHBondContact O-N 3.16Å; S245-E248 PolarHBondContact O-N 3.36Å; V246-E248 VanDerWaalsContact C-N 3.34Å; E248-K250 VanDerWaalsContact C-N 3.32Å; E248-K250 PolarHBondContact O-N 3.21Å; E248-R251 PolarHBondContact O-N 3.12Å |
| 249 | E | 84.4 | Confident | 85.5 | Confident | 130 Ų | 130 | 72.3 Ų | 72.3 | 61% | 0.607 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -59.7 | -42.5 | 175.8 | -165.1 | -155.8 | 131.1 | 0 | 0 | 111.7 | S245 V246 R251 | S245-E249 WeakPolarHBondContact O-CB 3.21Å; S245-E249 PolarHBondContact O-N 2.98Å; V246-E249 PolarHBondContact O-N 3.19Å; E249-R251 VanDerWaalsContact C-N 3.26Å; E249-R251 PolarHBondContact O-N 2.99Å |
| 250 | K | 84.8 | Confident | 85.3 | Confident | 72 Ų | 72 | 67.9 Ų | 67.9 | 31% | 0.313 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 9.7 | 177.5 | -57.4 | -46.8 | -177.9 | -153.6 | 0 | 113.5 | V246 L247 E248 G252 N253 A256 | V246-K250 HydrophobicContact CG1-CG 4.35Å; V246-K250 WeakPolarHBondContact O-CB 3.33Å; V246-K250 WeakPolarHBondContact O-CG 3.49Å; V246-K250 PolarHBondContact O-N 2.83Å; L247-K250 CarbonylContact O-C 3.56Å; L247-K250 PolarHBondContact O-N 3.17Å; E248-K250 VanDerWaalsContact C-N 3.32Å; E248-K250 PolarHBondContact O-N 3.21Å; K250-G252 VanDerWaalsContact C-N 3.3Å; K250-G252 PolarHBondContact O-N 3.17Å; K250-N253 HydrophobicContact CB-CB 4.36Å; K250-N253 VanDerWaalsContact O-CB 3.24Å; K250-N253 WeakPolarHBondContact O-CB 3.21Å; K250-N253 PolarHBondContact O-N 3.26Å; K250-N253 VanDerWaalsContact O-N 3.09Å; K250-A256 HydrophobicContact CB-CB 4.14Å; K250-A256 HydrophobicContact CD-CB 4.23Å; K250-A256 HydrophobicContact CG-CB 3.99Å |
| 251 | R | 81 | Confident | 85.3 | Confident | 193 Ų | 193 | 63.9 Ų | 63.9 | 73% | 0.728 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 38.4 | 176 | -57 | -175.2 | 174.5 | -148.3 | -1.9 | 114.4 | L247 E248 E249 | L247-R251 PolarHBondContact O-N 3.02Å; E248-R251 PolarHBondContact O-N 3.12Å; E249-R251 VanDerWaalsContact C-N 3.26Å; E249-R251 PolarHBondContact O-N 2.99Å |
| 252 | G | 77 | Confident | 85.3 | Confident | 17 Ų | 17 | 61.6 Ų | 61.6 | 18% | 0.175 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87 | 0.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | L247 K250 R254 | L247-G252 PolarHBondContact O-N 3.18Å; K250-G252 VanDerWaalsContact C-N 3.3Å; K250-G252 PolarHBondContact O-N 3.17Å; G252-R254 PolarHBondContact O-N 3.28Å; G252-R254 VanDerWaalsContact O-N 3.16Å |
| 253 | N | 83.1 | Confident | 85 | Confident | 77 Ų | 77 | 62.7 Ų | 62.7 | 41% | 0.412 | 33% | 0.326 | S | S | . | . | trans | -76.4 | 101.7 | 178.9 | -174.2 | -41.8 | 0 | 0 | 0 | 111.1 | K250 E255 A256 T257 | K250-N253 HydrophobicContact CB-CB 4.36Å; K250-N253 VanDerWaalsContact O-CB 3.24Å; K250-N253 WeakPolarHBondContact O-CB 3.21Å; K250-N253 PolarHBondContact O-N 3.26Å; K250-N253 VanDerWaalsContact O-N 3.09Å; N253-E255 PolarHBondContact O-N 2.64Å; N253-E255 PolarHBondContact OD1-N 3.42Å; N253-E255 PolarHBondContact OD1-OE2 2.88Å; N253-A256 HydrophobicContact CB-CB 4.04Å; N253-A256 PolarHBondContact O-N 2.97Å; N253-A256 WeakPolarHBondContact OD1-CB 3.35Å; N253-A256 PolarHBondContact OD1-N 2.83Å; N253-T257 PolarHBondContact O-N 2.54Å; N253-T257 PolarHBondContact O-OG1 3.2Å; N253-T257 VanDerWaalsContact O-OG1 3.06Å | ||
| 254 | R | 84.1 | Confident | 84.4 | Confident | 95 Ų | 95 | 67.5 Ų | 67.5 | 36% | 0.358 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.8 | -42.3 | -175.5 | -61.6 | -176.4 | -177.2 | -166.6 | -0.1 | 112.5 | D227 E230 G252 T257 V258 | D227-R254 IonicContact OD1-CZ 3.57Å; D227-R254 IonicContact OD1-NH2 2.64Å; D227-R254 PolarHBondContact OD1-NH2 2.92Å; D227-R254 IonicContact OD2-NE 3.98Å; D227-R254 IonicContact OD2-NH2 3.62Å; E230-R254 IonicContact OE2-CZ 2.64Å; E230-R254 IonicContact OE2-NH1 2.78Å; E230-R254 PolarHBondContact OE2-NH1 2.88Å; G252-R254 PolarHBondContact O-N 3.28Å; G252-R254 VanDerWaalsContact O-N 3.16Å; R254-T257 WeakPolarHBondContact O-CB 3.17Å; R254-T257 PolarHBondContact O-N 2.8Å; R254-V258 WeakPolarHBondContact O-CG2 3.29Å; R254-V258 PolarHBondContact O-N 3.22Å |
| 255 | E | 84.6 | Confident | 83.6 | Confident | 136 Ų | 136 | 69.5 Ų | 69.5 | 64% | 0.636 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -65.5 | -41.6 | -179.3 | -65.2 | 79.8 | -175.3 | 0 | 0 | 111.9 | N253 T257 V258 N259 | N253-E255 PolarHBondContact O-N 2.64Å; N253-E255 PolarHBondContact OD1-N 3.42Å; N253-E255 PolarHBondContact OD1-OE2 2.88Å; E255-T257 VanDerWaalsContact C-N 3.32Å; E255-V258 PolarHBondContact O-N 3.13Å; E255-N259 PolarHBondContact O-N 2.98Å; E255-N259 PolarHBondContact O-ND2 2.95Å |
| 256 | A | 86 | Confident | 82.4 | Confident | 31 Ų | 31 | 70.2 Ų | 70.2 | 26% | 0.256 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.8 | -37 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | K250 N253 A260 | K250-A256 HydrophobicContact CB-CB 4.14Å; K250-A256 HydrophobicContact CD-CB 4.23Å; K250-A256 HydrophobicContact CG-CB 3.99Å; N253-A256 HydrophobicContact CB-CB 4.04Å; N253-A256 PolarHBondContact O-N 2.97Å; N253-A256 WeakPolarHBondContact OD1-CB 3.35Å; N253-A256 PolarHBondContact OD1-N 2.83Å; A256-A260 PolarHBondContact O-N 3.47Å; A256-A260 VanDerWaalsContact O-N 3.11Å |
| 257 | T | 87.2 | Confident | 80.5 | Confident | 0 Ų | 0 | 80.9 Ų | 80.9 | 0% | 0 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -64.3 | -45.5 | 174.6 | -63.3 | 0 | 0 | 0 | 0 | 111.5 | L231 V246 L247 N253 R254 E255 N259 A260 L261 | L231-T257 HydrophobicContact CD1-CG2 3.73Å; V246-T257 HydrophobicContact CB-CG2 4.25Å; V246-T257 HydrophobicContact CG1-CG2 3.8Å; L247-T257 HydrophobicContact CG-CG2 4.18Å; N253-T257 PolarHBondContact O-N 2.54Å; N253-T257 PolarHBondContact O-OG1 3.2Å; N253-T257 VanDerWaalsContact O-OG1 3.06Å; R254-T257 WeakPolarHBondContact O-CB 3.17Å; R254-T257 PolarHBondContact O-N 2.8Å; E255-T257 VanDerWaalsContact C-N 3.32Å; T257-N259 VanDerWaalsContact C-N 3.34Å; T257-N259 PolarHBondContact O-N 3.41Å; T257-A260 PolarHBondContact O-N 3.21Å; T257-A260 VanDerWaalsContact O-N 3.15Å; T257-L261 HydrophobicContact CG2-CD1 3.77Å; T257-L261 HydrophobicContact CG2-CG 4.1Å; T257-L261 VanDerWaalsContact O-CG 3.29Å; T257-L261 WeakPolarHBondContact O-CG 3.3Å; T257-L261 PolarHBondContact O-N 3.15Å |
| 258 | V | 87.1 | Confident | 80.1 | Confident | 31 Ų | 31 | 85 Ų | 85 | 19% | 0.188 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -58.2 | -44.9 | 177 | 171.5 | 0 | 0 | 0 | 0 | 111.7 | L231 M234 F235 R254 E255 A260 L261 L262 | L231-V258 HydrophobicContact CD2-CG2 3.59Å; M234-V258 HydrophobicContact CE-CG1 4.36Å; M234-V258 HydrophobicContact CE-CG2 4.14Å; F235-V258 HydrophobicContact CE2-CG1 4.38Å; F235-V258 HydrophobicContact CZ-CG1 4.26Å; R254-V258 WeakPolarHBondContact O-CG2 3.29Å; R254-V258 PolarHBondContact O-N 3.22Å; E255-V258 PolarHBondContact O-N 3.13Å; V258-A260 VanDerWaalsContact C-N 3.32Å; V258-A260 PolarHBondContact O-N 3.21Å; V258-L261 PolarHBondContact O-N 3.07Å; V258-L262 HydrophobicContact CG1-CD1 4.03Å; V258-L262 HydrophobicContact CG1-CG 4.46Å; V258-L262 WeakPolarHBondContact O-CB 3.33Å; V258-L262 WeakPolarHBondContact O-CG 3.5Å; V258-L262 PolarHBondContact O-N 3.15Å |
| 259 | N | 86.3 | Confident | 79.9 | Confident | 103 Ų | 103 | 82.9 Ų | 82.9 | 55% | 0.551 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -64.2 | -36.1 | 177.5 | -74.4 | -35.9 | 0 | 0 | 0 | 112.9 | E255 T257 S263 | E255-N259 PolarHBondContact O-N 2.98Å; E255-N259 PolarHBondContact O-ND2 2.95Å; T257-N259 VanDerWaalsContact C-N 3.34Å; T257-N259 PolarHBondContact O-N 3.41Å; N259-S263 PolarHBondContact O-N 3.24Å; N259-S263 PolarHBondContact O-OG 3.41Å |
| 260 | A | 86.3 | Confident | 79.7 | Confident | 24 Ų | 24 | 80.3 Ų | 80.3 | 20% | 0.198 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -69.1 | -43.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V246 A256 T257 V258 S263 L264 | V246-A260 HydrophobicContact CG1-CB 3.76Å; A256-A260 PolarHBondContact O-N 3.47Å; A256-A260 VanDerWaalsContact O-N 3.11Å; T257-A260 PolarHBondContact O-N 3.21Å; T257-A260 VanDerWaalsContact O-N 3.15Å; V258-A260 VanDerWaalsContact C-N 3.32Å; V258-A260 PolarHBondContact O-N 3.21Å; A260-S263 WeakPolarHBondContact O-CB 3.33Å; A260-S263 PolarHBondContact O-N 3.13Å; A260-S263 VanDerWaalsContact O-N 3.16Å; A260-L264 PolarHBondContact O-N 2.64Å |
| 261 | L | 87.7 | Confident | 79.4 | Confident | 0 Ų | 0 | 80.8 Ų | 80.8 | 0% | 0 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -66 | -37.9 | 178.1 | -67 | 175.2 | 0 | 0 | 0 | 112.6 | F235 I238 I243 V246 T257 V258 S263 L264 N265 | F235-L261 HydrophobicContact CD2-CB 4.09Å; F235-L261 HydrophobicContact CD2-CD1 3.74Å; F235-L261 HydrophobicContact CE1-CB 4.37Å; F235-L261 HydrophobicContact CE2-CB 3.94Å; F235-L261 HydrophobicContact CE2-CD1 3.99Å; F235-L261 HydrophobicContact CG-CB 4.38Å; F235-L261 HydrophobicContact CG-CD1 4.48Å; F235-L261 HydrophobicContact CZ-CB 4.08Å; I238-L261 HydrophobicContact CD1-CB 4.07Å; I238-L261 HydrophobicContact CD1-CD2 3.75Å; I238-L261 HydrophobicContact CD1-CG 4.43Å; I238-L261 HydrophobicContact CG2-CD2 4.16Å; I243-L261 HydrophobicContact CG1-CD1 4.18Å; I243-L261 HydrophobicContact CG1-CD2 4.27Å; V246-L261 HydrophobicContact CG2-CD2 4.33Å; T257-L261 HydrophobicContact CG2-CD1 3.77Å; T257-L261 HydrophobicContact CG2-CG 4.1Å; T257-L261 VanDerWaalsContact O-CG 3.29Å; T257-L261 WeakPolarHBondContact O-CG 3.3Å; T257-L261 PolarHBondContact O-N 3.15Å; V258-L261 PolarHBondContact O-N 3.07Å; L261-S263 PolarHBondContact O-N 3.25Å; L261-L264 HydrophobicContact CD2-CD1 4.46Å; L261-L264 PolarHBondContact O-N 2.99Å; L261-N265 PolarHBondContact O-N 3.29Å |
| 262 | L | 86.1 | Confident | 79.3 | Confident | 92 Ų | 92 | 73.8 Ų | 73.8 | 48% | 0.482 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.2 | -35.6 | 172.3 | -77 | 168.3 | 0 | 0 | 0 | 112.1 | F235 V258 L264 A266 | F235-L262 HydrophobicContact CE1-CD2 3.82Å; F235-L262 HydrophobicContact CE1-CG 4.12Å; F235-L262 HydrophobicContact CZ-CD2 3.99Å; F235-L262 HydrophobicContact CZ-CG 3.91Å; V258-L262 HydrophobicContact CG1-CD1 4.03Å; V258-L262 HydrophobicContact CG1-CG 4.46Å; V258-L262 WeakPolarHBondContact O-CB 3.33Å; V258-L262 WeakPolarHBondContact O-CG 3.5Å; V258-L262 PolarHBondContact O-N 3.15Å; L262-L264 VanDerWaalsContact C-N 3.35Å; L262-A266 PolarHBondContact O-N 3.26Å |
| 263 | S | 81.4 | Confident | 79.4 | Confident | 83 Ų | 83 | 77.6 Ų | 77.6 | 58% | 0.58 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -72.5 | -30.2 | 179.3 | -53.8 | 0 | 0 | 0 | 0 | 112 | N259 A260 L261 | N259-S263 PolarHBondContact O-N 3.24Å; N259-S263 PolarHBondContact O-OG 3.41Å; A260-S263 WeakPolarHBondContact O-CB 3.33Å; A260-S263 PolarHBondContact O-N 3.13Å; A260-S263 VanDerWaalsContact O-N 3.16Å; L261-S263 PolarHBondContact O-N 3.25Å |
| 264 | L | 75.1 | Confident | 79.1 | Confident | 101 Ų | 101 | 77.6 Ų | 77.6 | 53% | 0.529 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -78.8 | -25.6 | 177.8 | -70 | 169.8 | 0 | 0 | 0 | 113.6 | V246 A260 L261 L262 | V246-L264 HydrophobicContact CG2-CD1 4.47Å; A260-L264 PolarHBondContact O-N 2.64Å; L261-L264 HydrophobicContact CD2-CD1 4.46Å; L261-L264 PolarHBondContact O-N 2.99Å; L262-L264 VanDerWaalsContact C-N 3.35Å |
| 265 | N | 69.1 | Low | 78.8 | Confident | 70 Ų | 70 | 76.3 Ų | 76.3 | 37% | 0.374 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -91.6 | -1.7 | 176.9 | -104.2 | -33.9 | 0 | 0 | 0 | 113.4 | T237 I238 L261 | T237-N265 PolarHBondContact OG1-ND2 2.91Å; T237-N265 VanDerWaalsContact OG1-ND2 3.15Å; T237-N265 PolarHBondContact OG1-OD1 3.2Å; T237-N265 VanDerWaalsContact OG1-OD1 3.07Å; I238-N265 WeakPolarHBondContact CD1-ND2 3.31Å; L261-N265 PolarHBondContact O-N 3.29Å |
| 266 | A | 61.5 | Low | 78.3 | Confident | 85 Ų | 85 | 71.3 Ų | 71.3 | 70% | 0.702 | 41% | 0.414 | S | S | * | . | trans | -90 | 2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L262 | L262-A266 PolarHBondContact O-N 3.26Š| ||
| 267 | E | 45.6 | Very low | 77.6 | Confident | 236 Ų | 236 | 75 Ų | 75 | 100% | 1.103 | 43% | 0.428 | S | S | * | . | trans | -106 | 0 | 169.3 | -70.6 | -171.6 | 151.7 | 0 | 0 | 111.2 |
Retrieved 267 of 267 residues in 64.9 ms
(Link to these results)