| 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 | 38.8 | Very low | 36.5 | Very low | 247 Ų | 247 | 133.7 Ų | 133.7 | 100% | 1.217 | 86% | 0.857 | S | S | * | * | 0 | 117.4 | 0 | -81.9 | -165.5 | -108.5 | 0 | 0 | 108.3 | |||||
| 2 | A | 32 | Very low | 36.4 | Very low | 99 Ų | 99 | 141.2 Ų | 141.2 | 82% | 0.818 | 86% | 0.855 | S | S | * | * | trans | 25.3 | 100.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 3 | A | 33.7 | Very low | 37 | Very low | 101 Ų | 101 | 142.2 Ų | 142.2 | 84% | 0.835 | 85% | 0.852 | S | S | * | * | 71.3 | 104.2 | 70.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 4 | S | 42.4 | Very low | 37 | Very low | 111 Ų | 111 | 143.2 Ų | 143.2 | 78% | 0.776 | 85% | 0.85 | S | S | * | * | trans | -59.1 | 140.8 | 164.1 | 50 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 5 | L | 35.3 | Very low | 37.2 | Very low | 177 Ų | 177 | 140.9 Ų | 140.9 | 93% | 0.927 | 84% | 0.837 | S | S | * | * | trans | -147.7 | 117.4 | 150.7 | -77.1 | 179.8 | 0 | 0 | 0 | 111.5 | ||||
| 6 | S | 33.5 | Very low | 37.3 | Very low | 107 Ų | 107 | 137.6 Ų | 137.6 | 75% | 0.748 | 83% | 0.83 | S | S | * | * | trans | -72.4 | 142.3 | 164.3 | 45.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 7 | F | 41.6 | Very low | 37.5 | Very low | 200 Ų | 200 | 139.5 Ų | 139.5 | 88% | 0.877 | 83% | 0.834 | S | S | * | * | trans | 32.2 | 120.1 | 149.1 | -103.5 | -95 | 0 | 0 | 0 | 119.3 | ||||
| 8 | T | 33.9 | Very low | 37.5 | Very low | 151 Ų | 151 | 137.4 Ų | 137.4 | 93% | 0.926 | 83% | 0.834 | S | S | * | * | trans | 172.5 | 142.8 | 131.8 | 37.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 9 | G | 32.5 | Very low | 38 | Very low | 71 Ų | 71 | 143.1 Ų | 143.1 | 73% | 0.732 | 84% | 0.839 | S | S | * | * | trans | 143.6 | 64.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 10 | S | 31.7 | Very low | 37.9 | Very low | 113 Ų | 113 | 141.1 Ų | 141.1 | 79% | 0.79 | 83% | 0.833 | S | S | * | * | 64.7 | 91.1 | 101.8 | -159.7 | 0 | 0 | 0 | 0 | 112.4 | R12 | S10-R12 PolarHBondContact O-N 3.4Š| |||
| 11 | A | 45.8 | Very low | 37.9 | Very low | 94 Ų | 94 | 139.8 Ų | 139.8 | 78% | 0.777 | 83% | 0.831 | S | S | * | * | trans | -58.2 | 123.9 | 158.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 12 | R | 35.8 | Very low | 37.8 | Very low | 223 Ų | 223 | 132.3 Ų | 132.3 | 84% | 0.842 | 81% | 0.808 | S | S | * | * | trans | -179.8 | 106.2 | 151.6 | -97 | 157.1 | -167.3 | -148.9 | 5.5 | 107.6 | S10 | S10-R12 PolarHBondContact O-N 3.4Š| ||
| 13 | L | 44.4 | Very low | 38.2 | Very low | 155 Ų | 155 | 134.5 Ų | 134.5 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | 76.5 | 109.9 | 103.1 | -84.7 | 174.8 | 0 | 0 | 0 | 113.6 | |||||
| 14 | L | 36.8 | Very low | 38.5 | Very low | 156 Ų | 156 | 139.6 Ų | 139.6 | 82% | 0.817 | 81% | 0.805 | S | S | * | * | trans | -151.4 | 100.8 | 135.3 | -90.8 | 179.2 | 0 | 0 | 0 | 107.1 | ||||
| 15 | T | 39.6 | Very low | 38.4 | Very low | 109 Ų | 109 | 140.3 Ų | 140.3 | 67% | 0.669 | 80% | 0.8 | S | S | * | * | 77.5 | 102.6 | 108.9 | 53.5 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 16 | A | 39.5 | Very low | 38.9 | Very low | 87 Ų | 87 | 137 Ų | 137 | 72% | 0.719 | 79% | 0.791 | S | S | * | * | 91 | 133.6 | 73.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 17 | L | 40.2 | Very low | 39.6 | Very low | 171 Ų | 171 | 140.5 Ų | 140.5 | 90% | 0.895 | 79% | 0.793 | S | S | * | * | trans | 79.4 | 94.1 | 160.9 | -64.9 | 159.8 | 0 | 0 | 0 | 118.8 | ||||
| 18 | A | 38.1 | Very low | 40.3 | Very low | 101 Ų | 101 | 138.1 Ų | 138.1 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | -155.5 | 98.4 | 118.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 19 | R | 45.8 | Very low | 41.4 | Very low | 246 Ų | 246 | 136.2 Ų | 136.2 | 93% | 0.928 | 78% | 0.778 | S | S | * | * | trans | -81.9 | 114.4 | 158.6 | -83.6 | -178.5 | 166.5 | 179.1 | -3.7 | 107.4 | ||||
| 20 | S | 36.8 | Very low | 42.8 | Very low | 102 Ų | 102 | 142.2 Ų | 142.2 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | trans | -174.7 | 114.1 | 144.6 | 24.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 21 | S | 37.7 | Very low | 44.3 | Very low | 114 Ų | 114 | 141.7 Ų | 141.7 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | 40.6 | 134.9 | 138.9 | 58.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 22 | A | 36.2 | Very low | 45.2 | Very low | 90 Ų | 90 | 145.9 Ų | 145.9 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | trans | 93.7 | 94.6 | 153.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 23 | L | 41.3 | Very low | 46.3 | Very low | 146 Ų | 146 | 143.1 Ų | 143.1 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | 46.1 | 132.2 | 128.1 | -56.9 | 171.8 | 0 | 0 | 0 | 120 | |||||
| 24 | Y | 40.2 | Very low | 47.5 | Very low | 207 Ų | 207 | 140.6 Ų | 140.6 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | trans | 79.6 | 85.9 | 162.9 | -56.4 | -79.5 | 0 | 0 | 0 | 117.8 | ||||
| 25 | N | 39.6 | Very low | 49.1 | Very low | 127 Ų | 127 | 138 Ų | 138 | 68% | 0.679 | 77% | 0.765 | S | S | * | * | -177.6 | 101.3 | 104.6 | -114.5 | -16.6 | 0 | 0 | 0 | 108.3 | F27 | N25-F27 HydrophobicContact CB-CD2 4.11Å; N25-F27 HydrophobicContact CB-CE2 4.29Å; N25-F27 PolarHBondContact O-N 2.77Å | |||
| 26 | S | 45.7 | Very low | 50.6 | Low | 106 Ų | 106 | 137.4 Ų | 137.4 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | trans | -63.4 | 91.6 | 152.8 | 48.1 | 0 | 0 | 0 | 0 | 106.3 | E28 | S26-E28 PolarHBondContact O-N 2.88Š| ||
| 27 | F | 49 | Very low | 52.2 | Low | 181 Ų | 181 | 139.3 Ų | 139.3 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | -60.5 | 90.1 | 156.7 | -91.4 | -88.9 | 0 | 0 | 0 | 105.5 | N25 S29 | N25-F27 HydrophobicContact CB-CD2 4.11Å; N25-F27 HydrophobicContact CB-CE2 4.29Å; N25-F27 PolarHBondContact O-N 2.77Å; F27-S29 PolarHBondContact O-N 2.74Å | ||
| 28 | E | 56 | Low | 53.7 | Low | 151 Ų | 151 | 135.7 Ų | 135.7 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | trans | -53.6 | 100.4 | 160 | -77.4 | -175.3 | 159.8 | 0 | 0 | 105.3 | S26 R30 | S26-E28 PolarHBondContact O-N 2.88Å; E28-R30 PolarHBondContact O-N 2.84Å | ||
| 29 | S | 57.1 | Low | 55.6 | Low | 111 Ų | 111 | 136.3 Ų | 136.3 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | trans | -62.5 | 89.3 | 169.4 | 53.7 | 0 | 0 | 0 | 0 | 106.8 | F27 S31 | F27-S29 PolarHBondContact O-N 2.74Å; S29-S31 PolarHBondContact O-N 3.11Å | ||
| 30 | R | 60.7 | Low | 57.6 | Low | 196 Ų | 196 | 132 Ų | 132 | 74% | 0.74 | 75% | 0.746 | S | S | * | * | trans | -64.5 | 91.8 | 165.7 | -81.7 | -174.8 | 178.5 | -132.7 | 0.1 | 106.7 | E28 F32 | E28-R30 PolarHBondContact O-N 2.84Å; R30-F32 WeakPolarHBondContact O-CD2 3.47Å; R30-F32 PolarHBondContact O-N 2.86Å; R30-F32 VanDerWaalsContact O-N 3.11Å | ||
| 31 | S | 64.6 | Low | 60.1 | Low | 103 Ų | 103 | 133 Ų | 133 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | trans | -66.4 | 107.2 | 170.2 | 54.7 | 0 | 0 | 0 | 0 | 108.1 | S29 H33 | S29-S31 PolarHBondContact O-N 3.11Å; S31-H33 PolarHBondContact O-N 3.33Å | ||
| 32 | F | 64.6 | Low | 62.6 | Low | 182 Ų | 182 | 136.1 Ų | 136.1 | 80% | 0.798 | 74% | 0.737 | S | S | * | * | trans | -73 | 114.8 | 169.2 | -67.6 | -82.3 | 0 | 0 | 0 | 108.5 | R30 A34 | R30-F32 WeakPolarHBondContact O-CD2 3.47Å; R30-F32 PolarHBondContact O-N 2.86Å; R30-F32 VanDerWaalsContact O-N 3.11Å; F32-A34 PolarHBondContact O-N 3Å | ||
| 33 | H | 58.7 | Low | 65.3 | Low | 165 Ų | 165 | 135.4 Ų | 135.4 | 76% | 0.764 | 73% | 0.732 | S | S | * | * | trans | -69.4 | 96.6 | 169.9 | -112.5 | -79.1 | 0 | 0 | 0 | 108.6 | S31 T35 | S31-H33 PolarHBondContact O-N 3.33Å; H33-T35 PolarHBondContact ND1-OG1 3.46Å; H33-T35 PolarHBondContact O-N 3.34Å | ||
| 34 | A | 69.5 | Low | 67.8 | Low | 102 Ų | 102 | 132.1 Ų | 132.1 | 84% | 0.843 | 73% | 0.725 | S | S | * | * | trans | -84.6 | 17.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | F32 | F32-A34 PolarHBondContact O-N 3Š| ||
| 35 | T | 70.6 | Confident | 70.4 | Confident | 102 Ų | 102 | 126.8 Ų | 126.8 | 63% | 0.626 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -82.7 | 129.4 | 176.1 | 50.6 | 0 | 0 | 0 | 0 | 109.9 | H33 V37 | H33-T35 PolarHBondContact ND1-OG1 3.46Å; H33-T35 PolarHBondContact O-N 3.34Å; T35-V37 PolarHBondContact O-N 3.34Å |
| 36 | A | 69.9 | Low | 72.9 | Confident | 96 Ų | 96 | 123.1 Ų | 123.1 | 79% | 0.793 | 68% | 0.684 | S | S | * | * | trans | -50.7 | 131.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | C38 | A36-C38 PolarHBondContact O-N 2.96Š| ||
| 37 | V | 73.6 | Confident | 75.1 | Confident | 126 Ų | 126 | 126.8 Ų | 126.8 | 76% | 0.764 | 68% | 0.682 | S | S | * | * | trans | -63.5 | 106.3 | 177.4 | 179.4 | 0 | 0 | 0 | 0 | 108.3 | T35 C39 | T35-V37 PolarHBondContact O-N 3.34Å; V37-C39 PolarHBondContact O-N 2.94Å | ||
| 38 | C | 71.1 | Confident | 77.1 | Confident | 95 Ų | 95 | 125.4 Ų | 125.4 | 64% | 0.642 | 68% | 0.681 | S | S | * | * | trans | -73.5 | 94.2 | 174.7 | -160.3 | 0 | 0 | 0 | 0 | 108.4 | A36 K40 | A36-C38 PolarHBondContact O-N 2.96Å; C38-K40 PolarHBondContact O-N 2.8Å | ||
| 39 | C | 79.2 | Confident | 78.7 | Confident | 114 Ų | 114 | 120.9 Ų | 120.9 | 77% | 0.77 | 68% | 0.675 | S | S | * | * | trans | -69.6 | 70.6 | 179.2 | -68.8 | 0 | 0 | 0 | 0 | 111.8 | V37 | V37-C39 PolarHBondContact O-N 2.94Š| ||
| 40 | K | 86.8 | Confident | 80.4 | Confident | 155 Ų | 155 | 124.6 Ų | 124.6 | 67% | 0.674 | 68% | 0.677 | S | S | * | * | trans | -71.5 | 137.2 | 175.8 | -63 | -178.4 | -178.2 | -179.4 | 0 | 110.4 | C38 R42 | C38-K40 PolarHBondContact O-N 2.8Å; K40-R42 WeakPolarHBondContact O-CG 3.5Å; K40-R42 PolarHBondContact O-N 2.8Å | ||
| 41 | N | 90.2 | Very high | 81.9 | Confident | 123 Ų | 123 | 116.8 Ų | 116.8 | 66% | 0.658 | 66% | 0.657 | S | S | * | * | trans | -61.4 | 124.6 | 174.5 | -70.5 | -25.5 | 0 | 0 | 0 | 111.3 | R45 | N41-R45 WeakPolarHBondContact O-CD 3.44Š| ||
| 42 | R | 90.7 | Very high | 83.3 | Confident | 180 Ų | 180 | 117.3 Ų | 117.3 | 68% | 0.679 | 65% | 0.652 | S | S | * | * | trans | -115.1 | -15.5 | -177.7 | -63.8 | -177.2 | -175.3 | -175.9 | 3.8 | 114.8 | K40 A44 R45 | K40-R42 WeakPolarHBondContact O-CG 3.5Å; K40-R42 PolarHBondContact O-N 2.8Å; R42-A44 PolarHBondContact O-N 3.39Å; R42-R45 PolarHBondContact O-N 3.24Å | ||
| 43 | A | 93.3 | Very high | 84.7 | Confident | 75 Ų | 75 | 114.2 Ų | 114.2 | 62% | 0.62 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | 122.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R45 P63 | A43-R45 WeakPolarHBondContact O-CG 3.37Å; A43-R45 PolarHBondContact O-N 3.34Å; A43-R45 VanDerWaalsContact O-N 3.14Å; A43-P63 WeakPolarHBondContact O-CG 3.47Å |
| 44 | A | 93.4 | Very high | 86.5 | Confident | 77 Ų | 77 | 109.6 Ų | 109.6 | 64% | 0.636 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 45.7 | 42.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | R42 P63 | R42-A44 PolarHBondContact O-N 3.39Å; A44-P63 HydrophobicContact CB-CG 3.77Å |
| 45 | R | 93.2 | Very high | 87.7 | Confident | 95 Ų | 95 | 105 Ų | 105 | 36% | 0.358 | 58% | 0.584 | S | S | . | * | trans | -119.1 | 127.6 | 173.3 | -67.4 | -178.1 | -175.3 | -154.6 | -2 | 109.5 | N41 R42 A43 | N41-R45 WeakPolarHBondContact O-CD 3.44Å; R42-R45 PolarHBondContact O-N 3.24Å; A43-R45 WeakPolarHBondContact O-CG 3.37Å; A43-R45 PolarHBondContact O-N 3.34Å; A43-R45 VanDerWaalsContact O-N 3.14Å | ||
| 46 | I | 93.1 | Very high | 88.9 | Confident | 51 Ų | 51 | 100.3 Ų | 100.3 | 26% | 0.262 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -90 | 126.4 | 171.9 | -59.5 | 176.3 | 0 | 0 | 0 | 107.8 | K53 L55 Q59 | I46-K53 HydrophobicContact CG2-CD 4.33Å; I46-L55 HydrophobicContact CB-CD1 4.27Å; I46-L55 HydrophobicContact CD1-CD1 4.14Å; I46-L55 HydrophobicContact CD1-CD2 3.45Å; I46-L55 VanDerWaalsContact CD1-CD2 3.45Å; I46-L55 HydrophobicContact CD1-CG 4.42Å; I46-L55 HydrophobicContact CG2-CD1 4.32Å; I46-L55 HydrophobicContact CG2-CD2 4.18Å; I46-Q59 HydrophobicContact CD1-CB 3.79Å; I46-Q59 HydrophobicContact CD1-CG 4.45Å |
| 47 | R | 91 | Very high | 90.2 | Very high | 183 Ų | 183 | 100.1 Ų | 100.1 | 69% | 0.691 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -68.6 | 143 | 179.1 | -69 | -174 | 178.8 | 176.9 | 1.1 | 110.6 | ||
| 48 | I | 91.4 | Very high | 91.2 | Very high | 151 Ų | 151 | 96.1 Ų | 96.1 | 77% | 0.774 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -70.7 | 133.8 | 176.5 | -56.9 | 164.6 | 0 | 0 | 0 | 109.3 | V171 | I48-V171 VanDerWaalsContact CA-CG1 3.49Å; I48-V171 HydrophobicContact CB-CG1 4.05Å; I48-V171 HydrophobicContact CG1-CG1 3.88Å; I48-V171 HydrophobicContact CG2-CG1 4.21Å |
| 49 | G | 90.4 | Very high | 92.3 | Very high | 56 Ų | 56 | 94.8 Ų | 94.8 | 58% | 0.577 | 49% | 0.492 | S | S | * | . | trans | -118.2 | -138.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | G51 V171 | G49-G51 VanDerWaalsContact C-N 3.33Å; G49-V171 WeakPolarHBondContact CA-OXT 3.26Å; G49-V171 PolarHBondContact N-OXT 3.06Å | ||
| 50 | K | 92.6 | Very high | 93 | Very high | 190 Ų | 190 | 89.6 Ų | 89.6 | 83% | 0.826 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -80.6 | -11.7 | -178.4 | -169 | 175.1 | 172.1 | -163.8 | 0 | 113.4 | D52 | K50-D52 WeakPolarHBondContact CD-OD2 3.39Š|
| 51 | G | 91.9 | Very high | 93.4 | Very high | 31 Ų | 31 | 82.6 Ų | 82.6 | 32% | 0.32 | 43% | 0.427 | S | S | . | . | S | Bend | trans | 96.4 | 10.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | G49 Y170 V171 | G49-G51 VanDerWaalsContact C-N 3.33Å; G51-Y170 VanDerWaalsContact O-CB 3.32Å; G51-Y170 WeakPolarHBondContact O-CB 3.28Å; G51-V171 CarbonylContact C-O 3.54Å; G51-V171 VanDerWaalsContact CA-C 3.43Å; G51-V171 WeakPolarHBondContact CA-O 3.38Å; G51-V171 PolarHBondContact N-O 3.48Å; G51-V171 PolarHBondContact N-OXT 3.09Å |
| 52 | D | 94.3 | Very high | 93.7 | Very high | 115 Ų | 115 | 79.5 Ų | 79.5 | 62% | 0.615 | 41% | 0.408 | S | S | * | . | trans | -94.7 | -10.8 | -179 | -58.3 | -34.8 | 0 | 0 | 0 | 112.5 | K50 P54 V171 | K50-D52 WeakPolarHBondContact CD-OD2 3.39Å; D52-P54 VanDerWaalsContact O-CD 3.27Å; D52-P54 WeakPolarHBondContact O-CD 3.27Å; D52-V171 PolarHBondContact N-O 3.01Å | ||
| 53 | K | 94.7 | Very high | 94 | Very high | 117 Ų | 117 | 73.4 Ų | 73.4 | 51% | 0.509 | 39% | 0.392 | S | S | . | . | trans | -89.7 | 113.9 | -172.3 | -172.1 | 176.5 | 179 | 173.4 | 0 | 111.1 | I46 L55 Y170 V171 | I46-K53 HydrophobicContact CG2-CD 4.33Å; K53-L55 HydrophobicContact CD-CD2 4.35Å; K53-L55 HydrophobicContact CG-CD2 4.23Å; K53-Y170 WeakPolarHBondContact O-CA 3.23Å; K53-V171 VanDerWaalsContact CB-O 3.26Å; K53-V171 WeakPolarHBondContact CB-O 3.32Å; K53-V171 PolarHBondContact N-O 3.14Å; K53-V171 PolarHBondContact O-N 2.75Å; K53-V171 VanDerWaalsContact O-N 3.09Å | ||
| 54 | P | 95.7 | Very high | 94.1 | Very high | 68 Ų | 68 | 75.2 Ų | 75.2 | 44% | 0.442 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 131 | 176.4 | 28.7 | -33.3 | 0 | 0 | 0 | 110.8 | D52 V167 Y170 | D52-P54 VanDerWaalsContact O-CD 3.27Å; D52-P54 WeakPolarHBondContact O-CD 3.27Å; P54-V167 HydrophobicContact CB-CG1 3.8Å; P54-V167 HydrophobicContact CB-CG2 3.85Å; P54-Y170 HydrophobicContact CB-CD1 4.14Å; P54-Y170 HydrophobicContact CB-CE1 3.71Å; P54-Y170 HydrophobicContact CG-CE1 4.47Å |
| 55 | L | 95.4 | Very high | 94.2 | Very high | 4 Ų | 4 | 73 Ų | 73 | 2% | 0.021 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 143.2 | 175.9 | -60.6 | -172.9 | 0 | 0 | 0 | 111.7 | I46 K53 A60 Y168 K169 V171 | I46-L55 HydrophobicContact CB-CD1 4.27Å; I46-L55 HydrophobicContact CD1-CD1 4.14Å; I46-L55 HydrophobicContact CD1-CD2 3.45Å; I46-L55 VanDerWaalsContact CD1-CD2 3.45Å; I46-L55 HydrophobicContact CD1-CG 4.42Å; I46-L55 HydrophobicContact CG2-CD1 4.32Å; I46-L55 HydrophobicContact CG2-CD2 4.18Å; K53-L55 HydrophobicContact CD-CD2 4.35Å; K53-L55 HydrophobicContact CG-CD2 4.23Å; L55-A60 HydrophobicContact CB-CB 4.3Å; L55-Y168 PolarHBondContact O-N 3.38Å; L55-K169 HydrophobicContact CB-CG 4.42Å; L55-K169 PolarHBondContact N-O 2.99Å; L55-K169 PolarHBondContact O-N 3.26Å; L55-V171 HydrophobicContact CD1-CB 3.85Å; L55-V171 HydrophobicContact CD1-CG1 4.44Å; L55-V171 HydrophobicContact CD1-CG2 3.52Å; L55-V171 HydrophobicContact CG-CB 4.36Å; L55-V171 HydrophobicContact CG-CG2 4.26Å |
| 56 | T | 95.9 | Very high | 94.4 | Very high | 5 Ų | 5 | 72 Ų | 72 | 3% | 0.031 | 37% | 0.365 | C | S | . | . | trans | -80.2 | 162.2 | 170.3 | 61.6 | 0 | 0 | 0 | 0 | 110.4 | E58 Q59 A60 N110 K165 | T56-E58 VanDerWaalsContact C-N 3.26Å; T56-E58 PolarHBondContact O-N 2.91Å; T56-Q59 PolarHBondContact O-N 3.2Å; T56-Q59 VanDerWaalsContact O-N 3.1Å; T56-Q59 WeakPolarHBondContact OG1-CB 3.29Å; T56-Q59 VanDerWaalsContact OG1-CG 3.29Å; T56-Q59 WeakPolarHBondContact OG1-CG 3.42Å; T56-Q59 PolarHBondContact OG1-N 3.16Å; T56-A60 VanDerWaalsContact O-CB 3.22Å; T56-A60 WeakPolarHBondContact O-CB 3.44Å; T56-A60 PolarHBondContact O-N 2.68Å; T56-N110 WeakPolarHBondContact CG2-OD1 3.46Å; T56-K165 HydrophobicContact CG2-CD 4.22Å; T56-K165 HydrophobicContact CG2-CG 4.03Å | ||
| 57 | Y | 96.1 | Very high | 94.6 | Very high | 92 Ų | 92 | 72.7 Ų | 72.7 | 36% | 0.361 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -52.1 | -45.9 | 176.4 | -177.1 | -99.6 | 0 | 0 | 0 | 112.3 | Q59 A60 L61 R69 Y168 | Y57-Q59 VanDerWaalsContact C-N 3.35Å; Y57-Q59 PolarHBondContact O-N 3.12Å; Y57-A60 PolarHBondContact O-N 2.68Å; Y57-L61 HydrophobicContact CD1-CD1 4.1Å; Y57-L61 HydrophobicContact CD2-CD1 4.07Å; Y57-L61 HydrophobicContact CE1-CD1 3.56Å; Y57-L61 HydrophobicContact CE2-CD1 3.54Å; Y57-L61 HydrophobicContact CG-CD1 4.33Å; Y57-L61 WeakPolarHBondContact OH-CD1 3.22Å; Y57-R69 PolarHBondContact OH-O 2.9Å; Y57-Y168 HydrophobicContact CD2-CD1 4.33Å; Y57-Y168 AromaticContact CD2-CD2 3.9Å; Y57-Y168 HydrophobicContact CD2-CD2 3.9Å; Y57-Y168 HydrophobicContact CD2-CE1 4.33Å; Y57-Y168 AromaticContact CD2-CE2 3.91Å; Y57-Y168 HydrophobicContact CD2-CE2 3.91Å; Y57-Y168 HydrophobicContact CD2-CG 4.11Å; Y57-Y168 HydrophobicContact CE2-CE2 4.32Å |
| 58 | E | 94.1 | Very high | 94.9 | Very high | 41 Ų | 41 | 71.8 Ų | 71.8 | 19% | 0.192 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.7 | -37.8 | 179.3 | -71.8 | -58.5 | 141.7 | 0 | 0 | 112.8 | T56 K70 | T56-E58 VanDerWaalsContact C-N 3.26Å; T56-E58 PolarHBondContact O-N 2.91Å; E58-K70 VanDerWaalsContact O-CE 3.28Å; E58-K70 WeakPolarHBondContact O-CE 3.49Å; E58-K70 PolarHBondContact O-NZ 3.18Å; E58-K70 WeakPolarHBondContact OE2-CE 3.28Å; E58-K70 IonicContact OE2-NZ 2.68Å; E58-K70 PolarHBondContact OE2-NZ 2.96Å |
| 59 | Q | 94.6 | Very high | 95.1 | Very high | 68 Ų | 68 | 72 Ų | 72 | 32% | 0.318 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -80 | -26.8 | -179.5 | -71.4 | 179.5 | -15.8 | 0 | 0 | 113.4 | I46 T56 Y57 | I46-Q59 HydrophobicContact CD1-CB 3.79Å; I46-Q59 HydrophobicContact CD1-CG 4.45Å; T56-Q59 PolarHBondContact O-N 3.2Å; T56-Q59 VanDerWaalsContact O-N 3.1Å; T56-Q59 WeakPolarHBondContact OG1-CB 3.29Å; T56-Q59 VanDerWaalsContact OG1-CG 3.29Å; T56-Q59 WeakPolarHBondContact OG1-CG 3.42Å; T56-Q59 PolarHBondContact OG1-N 3.16Å; Y57-Q59 VanDerWaalsContact C-N 3.35Å; Y57-Q59 PolarHBondContact O-N 3.12Å |
| 60 | A | 94.9 | Very high | 95.4 | Very high | 4 Ų | 4 | 70.8 Ų | 70.8 | 3% | 0.033 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -76.9 | -22.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L55 T56 Y57 Y168 K169 | L55-A60 HydrophobicContact CB-CB 4.3Å; T56-A60 VanDerWaalsContact O-CB 3.22Å; T56-A60 WeakPolarHBondContact O-CB 3.44Å; T56-A60 PolarHBondContact O-N 2.68Å; Y57-A60 PolarHBondContact O-N 2.68Å; A60-Y168 HydrophobicContact CB-CD1 3.59Å; A60-Y168 HydrophobicContact CB-CE1 4.12Å; A60-K169 HydrophobicContact CB-CD 3.88Å; A60-K169 VanDerWaalsContact CB-CE 3.45Å; A60-K169 HydrophobicContact CB-CG 4Å; A60-K169 PolarHBondContact O-NZ 3.26Å |
| 61 | L | 95.4 | Very high | 95.6 | Very high | 9 Ų | 9 | 63.9 Ų | 63.9 | 5% | 0.047 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -105.2 | 141.3 | -172.8 | -68 | 172.5 | 0 | 0 | 0 | 111.1 | Y57 R69 K70 | Y57-L61 HydrophobicContact CD1-CD1 4.1Å; Y57-L61 HydrophobicContact CD2-CD1 4.07Å; Y57-L61 HydrophobicContact CE1-CD1 3.56Å; Y57-L61 HydrophobicContact CE2-CD1 3.54Å; Y57-L61 HydrophobicContact CG-CD1 4.33Å; Y57-L61 WeakPolarHBondContact OH-CD1 3.22Å; L61-R69 HydrophobicContact CD1-CB 3.96Å; L61-K70 HydrophobicContact CB-CD 3.4Å; L61-K70 VanDerWaalsContact CB-CD 3.4Å; L61-K70 HydrophobicContact CB-CG 3.63Å; L61-K70 HydrophobicContact CD1-CD 4.15Å; L61-K70 HydrophobicContact CD1-CG 3.46Å; L61-K70 VanDerWaalsContact CD1-CG 3.46Å; L61-K70 HydrophobicContact CG-CD 4.43Å; L61-K70 HydrophobicContact CG-CG 4.2Å |
| 62 | H | 95.1 | Very high | 95.8 | Very high | 57 Ų | 57 | 70.2 Ų | 70.2 | 26% | 0.264 | 35% | 0.349 | S | S | . | . | trans | -86.4 | 162.9 | -172.4 | -63.5 | 160 | 0 | 0 | 0 | 112.7 | H64 Q65 | H62-H64 VanDerWaalsContact C-N 3.32Å; H62-H64 WeakPolarHBondContact CB-CE1 3.39Å; H62-H64 AromaticContact CG-CE1 3.86Å; H62-H64 AromaticContact ND1-CE1 3.6Å; H62-H64 PolarHBondContact O-N 3.42Å; H62-Q65 WeakPolarHBondContact O-CB 3.22Å; H62-Q65 PolarHBondContact O-N 3.41Å | ||
| 63 | P | 96.9 | Very high | 96 | Very high | 53 Ų | 53 | 66.4 Ų | 66.4 | 34% | 0.344 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -57.2 | -35.9 | -177 | -31.5 | 38.7 | 0 | 0 | 0 | 115.9 | A43 A44 Q65 I66 | A43-P63 WeakPolarHBondContact O-CG 3.47Å; A44-P63 HydrophobicContact CB-CG 3.77Å; P63-Q65 PolarHBondContact O-N 3.38Å; P63-Q65 VanDerWaalsContact O-N 3.12Å; P63-I66 WeakPolarHBondContact O-CB 3.28Å; P63-I66 WeakPolarHBondContact O-CD1 3.12Å; P63-I66 WeakPolarHBondContact O-CG1 3.49Å; P63-I66 PolarHBondContact O-N 2.9Å; P63-I66 VanDerWaalsContact O-N 3.16Å |
| 64 | H | 95.4 | Very high | 96.1 | Very high | 112 Ų | 112 | 61.9 Ų | 61.9 | 52% | 0.519 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -70.5 | -4.4 | 178.5 | 59.4 | -90.1 | 0 | 0 | 0 | 113.5 | H62 | H62-H64 VanDerWaalsContact C-N 3.32Å; H62-H64 WeakPolarHBondContact CB-CE1 3.39Å; H62-H64 AromaticContact CG-CE1 3.86Å; H62-H64 AromaticContact ND1-CE1 3.6Å; H62-H64 PolarHBondContact O-N 3.42Å |
| 65 | Q | 96.5 | Very high | 96.2 | Very high | 32 Ų | 32 | 63.5 Ų | 63.5 | 15% | 0.15 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -98.9 | 2 | 176.1 | -58.8 | 177 | -43 | 0 | 0 | 112.3 | H62 P63 H68 R69 K70 | H62-Q65 WeakPolarHBondContact O-CB 3.22Å; H62-Q65 PolarHBondContact O-N 3.41Å; P63-Q65 PolarHBondContact O-N 3.38Å; P63-Q65 VanDerWaalsContact O-N 3.12Å; Q65-H68 PolarHBondContact O-N 3.1Å; Q65-R69 HydrophobicContact CB-CB 4.42Å; Q65-R69 PolarHBondContact O-N 3.29Å; Q65-K70 PolarHBondContact O-N 2.82Å; Q65-K70 VanDerWaalsContact O-N 3.08Å |
| 66 | I | 97.4 | Very high | 96.2 | Very high | 72 Ų | 72 | 65.2 Ų | 65.2 | 37% | 0.369 | 32% | 0.321 | S | S | . | . | B | Isolated β-bridge | trans | -62.3 | 138.6 | 167.9 | -62.7 | 169.2 | 0 | 0 | 0 | 108.1 | P63 H68 | P63-I66 WeakPolarHBondContact O-CB 3.28Å; P63-I66 WeakPolarHBondContact O-CD1 3.12Å; P63-I66 WeakPolarHBondContact O-CG1 3.49Å; P63-I66 PolarHBondContact O-N 2.9Å; P63-I66 VanDerWaalsContact O-N 3.16Å; I66-H68 PolarHBondContact O-N 3.41Å |
| 67 | A | 96.4 | Very high | 96.2 | Very high | 67 Ų | 67 | 67.8 Ų | 67.8 | 55% | 0.554 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | -8.5 | -170.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | K70 W72 | A67-K70 PolarHBondContact N-O 3.07Å; A67-W72 HydrophobicContact CB-CH2 3.86Å; A67-W72 HydrophobicContact CB-CZ2 3.85Å |
| 68 | H | 97.1 | Very high | 96.2 | Very high | 163 Ų | 163 | 64 Ų | 64 | 76% | 0.755 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | -52.4 | 174.2 | -66.1 | -82.7 | 0 | 0 | 0 | 112.8 | Q65 I66 | Q65-H68 PolarHBondContact O-N 3.1Å; I66-H68 PolarHBondContact O-N 3.41Å |
| 69 | R | 96.4 | Very high | 96.3 | Very high | 157 Ų | 157 | 67.5 Ų | 67.5 | 59% | 0.592 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.9 | -33.8 | 179 | -63 | -177.3 | 178.1 | 179.9 | -1.4 | 111.1 | Y57 L61 Q65 | Y57-R69 PolarHBondContact OH-O 2.9Å; L61-R69 HydrophobicContact CD1-CB 3.96Å; Q65-R69 HydrophobicContact CB-CB 4.42Å; Q65-R69 PolarHBondContact O-N 3.29Å |
| 70 | K | 96.3 | Very high | 96.4 | Very high | 29 Ų | 29 | 69.7 Ų | 69.7 | 13% | 0.126 | 36% | 0.363 | C | S | . | . | B | Isolated β-bridge | trans | -106 | 144.9 | -179.9 | -46.9 | -175.2 | 84.5 | -159.7 | 0 | 111 | E58 L61 Q65 A67 | E58-K70 VanDerWaalsContact O-CE 3.28Å; E58-K70 WeakPolarHBondContact O-CE 3.49Å; E58-K70 PolarHBondContact O-NZ 3.18Å; E58-K70 WeakPolarHBondContact OE2-CE 3.28Å; E58-K70 IonicContact OE2-NZ 2.68Å; E58-K70 PolarHBondContact OE2-NZ 2.96Å; L61-K70 HydrophobicContact CB-CD 3.4Å; L61-K70 VanDerWaalsContact CB-CD 3.4Å; L61-K70 HydrophobicContact CB-CG 3.63Å; L61-K70 HydrophobicContact CD1-CD 4.15Å; L61-K70 HydrophobicContact CD1-CG 3.46Å; L61-K70 VanDerWaalsContact CD1-CG 3.46Å; L61-K70 HydrophobicContact CG-CD 4.43Å; L61-K70 HydrophobicContact CG-CG 4.2Å; Q65-K70 PolarHBondContact O-N 2.82Å; Q65-K70 VanDerWaalsContact O-N 3.08Å; A67-K70 PolarHBondContact N-O 3.07Å |
| 71 | G | 96.7 | Very high | 96.4 | Very high | 46 Ų | 46 | 79.8 Ų | 79.8 | 47% | 0.474 | 41% | 0.407 | S | S | . | . | trans | -85.7 | -163.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 72 | W | 97.4 | Very high | 96.4 | Very high | 163 Ų | 163 | 83 Ų | 83 | 62% | 0.617 | 44% | 0.441 | S | S | * | . | trans | -104.5 | 139.5 | 172.8 | -61.4 | -87.1 | 0 | 0 | 0 | 111.1 | A67 | A67-W72 HydrophobicContact CB-CH2 3.86Å; A67-W72 HydrophobicContact CB-CZ2 3.85Å | ||
| 73 | L | 97.4 | Very high | 96.5 | Very high | 35 Ų | 35 | 85.6 Ų | 85.6 | 18% | 0.183 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -81.5 | -17.1 | 178.2 | -63.6 | 172 | 0 | 0 | 0 | 113.4 | E111 V113 I114 | L73-E111 HydrophobicContact CD1-CB 4Å; L73-E111 WeakPolarHBondContact CD1-OE2 3.5Å; L73-V113 HydrophobicContact CD2-CG2 3.98Å; L73-V113 CarbonylContact O-C 3.53Å; L73-V113 WeakPolarHBondContact O-CA 3.45Å; L73-I114 PolarHBondContact O-N 3.08Å |
| 74 | S | 97.4 | Very high | 96.4 | Very high | 23 Ų | 23 | 91.2 Ų | 91.2 | 16% | 0.161 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 130.6 | 171.2 | -179.3 | 0 | 0 | 0 | 0 | 109.2 | H76 D93 I114 | S74-H76 PolarHBondContact OG-ND1 3.18Å; S74-D93 WeakPolarHBondContact CB-OD2 3.24Å; S74-D93 PolarHBondContact OG-OD2 3.28Å; S74-I114 WeakPolarHBondContact CA-O 3.27Å |
| 75 | Q | 96.9 | Very high | 96.3 | Very high | 102 Ų | 102 | 87.3 Ų | 87.3 | 48% | 0.477 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 116 | 178.7 | -64.4 | 179.9 | -7.8 | 0 | 0 | 109.2 | I114 R116 | Q75-I114 PolarHBondContact N-O 2.94Å; Q75-R116 PolarHBondContact O-N 2.91Å |
| 76 | H | 96.4 | Very high | 96.2 | Very high | 40 Ų | 40 | 87.1 Ų | 87.1 | 19% | 0.185 | 47% | 0.469 | C | S | . | . | trans | -154.6 | 160 | 178.1 | 57.2 | -104.4 | 0 | 0 | 0 | 110.2 | S74 S78 N79 D93 R116 | S74-H76 PolarHBondContact OG-ND1 3.18Å; H76-S78 PolarHBondContact CD2-OG 2.61Å; H76-S78 PolarHBondContact NE2-OG 2.79Å; H76-N79 PolarHBondContact NE2-ND2 2.79Å; H76-D93 IonicContact ND1-OD2 2.66Å; H76-R116 HydrophobicContact CB-CB 4.26Å; H76-R116 HydrophobicContact CB-CG 4.49Å | ||
| 77 | A | 95.9 | Very high | 96.2 | Very high | 58 Ų | 58 | 87.3 Ų | 87.3 | 48% | 0.479 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -81.3 | -21.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | N79 L80 E83 | A77-N79 PolarHBondContact O-N 3.44Å; A77-L80 HydrophobicContact CB-CD1 4.35Å; A77-L80 VanDerWaalsContact O-CB 3.3Å; A77-L80 WeakPolarHBondContact O-CB 3.38Å; A77-L80 VanDerWaalsContact O-CG 3.27Å; A77-L80 WeakPolarHBondContact O-CG 3.48Å; A77-L80 PolarHBondContact O-N 3.02Å; A77-E83 WeakPolarHBondContact O-CG 2.92Å |
| 78 | S | 95.2 | Very high | 96.2 | Very high | 13 Ų | 13 | 90.4 Ų | 90.4 | 9% | 0.091 | 48% | 0.484 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -13.3 | -169.4 | 54.2 | 0 | 0 | 0 | 0 | 116.7 | H76 Q84 | H76-S78 PolarHBondContact CD2-OG 2.61Å; H76-S78 PolarHBondContact NE2-OG 2.79Å; S78-Q84 WeakPolarHBondContact CB-O 3.16Å |
| 79 | N | 96.2 | Very high | 96.1 | Very high | 114 Ų | 114 | 86.9 Ų | 86.9 | 61% | 0.61 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -1.2 | 174 | -72.2 | -22.1 | 0 | 0 | 0 | 113.3 | H76 A77 A86 | H76-N79 PolarHBondContact NE2-ND2 2.79Å; A77-N79 PolarHBondContact O-N 3.44Å; N79-A86 WeakPolarHBondContact OD1-CB 2.87Å |
| 80 | L | 96.5 | Very high | 96.1 | Very high | 114 Ų | 114 | 82.8 Ų | 82.8 | 60% | 0.597 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -73.8 | 155.2 | 175.4 | -62.2 | 174.3 | 0 | 0 | 0 | 110.7 | A77 G82 E83 | A77-L80 HydrophobicContact CB-CD1 4.35Å; A77-L80 VanDerWaalsContact O-CB 3.3Å; A77-L80 WeakPolarHBondContact O-CB 3.38Å; A77-L80 VanDerWaalsContact O-CG 3.27Å; A77-L80 WeakPolarHBondContact O-CG 3.48Å; A77-L80 PolarHBondContact O-N 3.02Å; L80-G82 PolarHBondContact O-N 3.15Å; L80-E83 HydrophobicContact CB-CG 3.84Å; L80-E83 WeakPolarHBondContact O-CB 3.3Å; L80-E83 PolarHBondContact O-N 2.98Å; L80-E83 VanDerWaalsContact O-N 3.15Å |
| 81 | K | 96.5 | Very high | 96.2 | Very high | 217 Ų | 217 | 86.4 Ų | 86.4 | 94% | 0.943 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | 121.6 | -179.2 | -177.8 | -178.4 | 177.6 | -176.9 | 0 | 110.1 | ||
| 82 | G | 95.1 | Very high | 96.2 | Very high | 75 Ų | 75 | 85.6 Ų | 85.6 | 77% | 0.773 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.1 | -6.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L80 | L80-G82 PolarHBondContact O-N 3.15Š|
| 83 | E | 96.1 | Very high | 96.2 | Very high | 113 Ų | 113 | 78.1 Ų | 78.1 | 53% | 0.528 | 44% | 0.437 | S | S | . | . | trans | -83.1 | 159.7 | 175.2 | -64.5 | -63.6 | 149.7 | 0 | 0 | 111.9 | A77 L80 | A77-E83 WeakPolarHBondContact O-CG 2.92Å; L80-E83 HydrophobicContact CB-CG 3.84Å; L80-E83 WeakPolarHBondContact O-CB 3.3Å; L80-E83 PolarHBondContact O-N 2.98Å; L80-E83 VanDerWaalsContact O-N 3.15Å | ||
| 84 | Q | 94.9 | Very high | 96.2 | Very high | 170 Ų | 170 | 79.6 Ų | 79.6 | 79% | 0.794 | 45% | 0.448 | S | S | * | . | trans | -121.3 | 170.9 | -177.8 | -61.1 | -176.6 | 6.9 | 0 | 0 | 111.5 | S78 | S78-Q84 WeakPolarHBondContact CB-O 3.16Š| ||
| 85 | G | 93.3 | Very high | 96.3 | Very high | 30 Ų | 30 | 82.3 Ų | 82.3 | 31% | 0.309 | 46% | 0.457 | S | S | . | . | trans | 81.3 | 11.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | A87 E88 R89 | G85-A87 VanDerWaalsContact C-N 3.27Å; G85-A87 PolarHBondContact O-N 3.27Å; G85-E88 PolarHBondContact O-N 2.71Å; G85-R89 WeakPolarHBondContact O-CG 3.35Å; G85-R89 PolarHBondContact O-N 3.21Å; G85-R89 VanDerWaalsContact O-N 3.15Å | ||
| 86 | A | 95.6 | Very high | 96.3 | Very high | 29 Ų | 29 | 77.4 Ų | 77.4 | 24% | 0.24 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -58.1 | -37.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | N79 T90 | N79-A86 WeakPolarHBondContact OD1-CB 2.87Å; A86-T90 WeakPolarHBondContact O-CB 3.32Å; A86-T90 PolarHBondContact O-N 3.05Å; A86-T90 PolarHBondContact O-OG1 3.41Å |
| 87 | A | 96.6 | Very high | 96.4 | Very high | 75 Ų | 75 | 79.1 Ų | 79.1 | 62% | 0.62 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -63.2 | -48.6 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | G85 R89 T90 V91 | G85-A87 VanDerWaalsContact C-N 3.27Å; G85-A87 PolarHBondContact O-N 3.27Å; A87-R89 PolarHBondContact O-N 3.33Å; A87-T90 WeakPolarHBondContact O-CB 3.5Å; A87-T90 PolarHBondContact O-N 2.86Å; A87-T90 VanDerWaalsContact O-N 3.16Å; A87-V91 WeakPolarHBondContact O-CG2 3.3Å; A87-V91 PolarHBondContact O-N 3.33Å |
| 88 | E | 95.4 | Very high | 96.5 | Very high | 132 Ų | 132 | 85.4 Ų | 85.4 | 62% | 0.617 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -59.8 | -48.2 | 178.4 | -63.9 | 173.6 | -177.1 | 0 | 0 | 110.9 | G85 T90 V91 E92 | G85-E88 PolarHBondContact O-N 2.71Å; E88-T90 PolarHBondContact O-N 2.87Å; E88-V91 PolarHBondContact O-N 3.38Å; E88-E92 WeakPolarHBondContact O-CG 3.39Å; E88-E92 PolarHBondContact O-N 2.82Å |
| 89 | R | 95.9 | Very high | 96.6 | Very high | 90 Ų | 90 | 86.2 Ų | 86.2 | 34% | 0.34 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60.4 | -33.7 | 177.5 | -59.9 | -44.8 | 178.8 | 179.2 | -4.8 | 112.7 | G85 A87 E92 D93 R116 | G85-R89 WeakPolarHBondContact O-CG 3.35Å; G85-R89 PolarHBondContact O-N 3.21Å; G85-R89 VanDerWaalsContact O-N 3.15Å; A87-R89 PolarHBondContact O-N 3.33Å; R89-E92 VanDerWaalsContact CD-OE2 3.23Å; R89-E92 WeakPolarHBondContact CD-OE2 3.41Å; R89-E92 IonicContact CZ-OE1 2.8Å; R89-E92 IonicContact CZ-OE2 3.92Å; R89-E92 VanDerWaalsContact NH1-CD 3.35Å; R89-E92 IonicContact NH1-OE1 3.27Å; R89-E92 PolarHBondContact NH1-OE1 3.11Å; R89-E92 IonicContact NH1-OE2 3.01Å; R89-E92 PolarHBondContact NH1-OE2 2.99Å; R89-D93 VanDerWaalsContact O-CB 3.28Å; R89-D93 WeakPolarHBondContact O-CB 3.39Å; R89-D93 PolarHBondContact O-N 3.34Å; R89-R116 PolarHBondContact O-NH2 2.85Å |
| 90 | T | 96.9 | Very high | 96.7 | Very high | 70 Ų | 70 | 80.8 Ų | 80.8 | 43% | 0.429 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -69 | -40.8 | 176 | -56.3 | 0 | 0 | 0 | 0 | 111.6 | A86 A87 E88 D93 V94 | A86-T90 WeakPolarHBondContact O-CB 3.32Å; A86-T90 PolarHBondContact O-N 3.05Å; A86-T90 PolarHBondContact O-OG1 3.41Å; A87-T90 WeakPolarHBondContact O-CB 3.5Å; A87-T90 PolarHBondContact O-N 2.86Å; A87-T90 VanDerWaalsContact O-N 3.16Å; E88-T90 PolarHBondContact O-N 2.87Å; T90-D93 PolarHBondContact O-N 2.75Å; T90-V94 WeakPolarHBondContact O-CG2 3.48Å; T90-V94 PolarHBondContact O-N 2.8Å |
| 91 | V | 97.9 | Very high | 96.7 | Very high | 105 Ų | 105 | 81.7 Ų | 81.7 | 64% | 0.636 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -63.6 | -46.9 | 175.7 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | A87 E88 D93 V94 F95 | A87-V91 WeakPolarHBondContact O-CG2 3.3Å; A87-V91 PolarHBondContact O-N 3.33Å; E88-V91 PolarHBondContact O-N 3.38Å; V91-D93 VanDerWaalsContact C-N 3.31Å; V91-D93 PolarHBondContact O-N 2.94Å; V91-V94 PolarHBondContact O-N 3.11Å; V91-F95 PolarHBondContact O-N 3.3Å |
| 92 | E | 97 | Very high | 96.7 | Very high | 30 Ų | 30 | 73.7 Ų | 73.7 | 14% | 0.14 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -55.6 | -47.1 | 175.2 | -67.2 | 173.9 | -179.6 | 0 | 0 | 111.4 | E88 R89 V94 F95 I96 R116 Y151 | E88-E92 WeakPolarHBondContact O-CG 3.39Å; E88-E92 PolarHBondContact O-N 2.82Å; R89-E92 VanDerWaalsContact CD-OE2 3.23Å; R89-E92 WeakPolarHBondContact CD-OE2 3.41Å; R89-E92 IonicContact CZ-OE1 2.8Å; R89-E92 IonicContact CZ-OE2 3.92Å; R89-E92 VanDerWaalsContact NH1-CD 3.35Å; R89-E92 IonicContact NH1-OE1 3.27Å; R89-E92 PolarHBondContact NH1-OE1 3.11Å; R89-E92 IonicContact NH1-OE2 3.01Å; R89-E92 PolarHBondContact NH1-OE2 2.99Å; E92-V94 PolarHBondContact O-N 2.95Å; E92-F95 WeakPolarHBondContact O-CB 3.5Å; E92-F95 PolarHBondContact O-N 3.39Å; E92-I96 WeakPolarHBondContact O-CD1 3.27Å; E92-I96 VanDerWaalsContact O-CG1 3.23Å; E92-I96 WeakPolarHBondContact O-CG1 3.47Å; E92-I96 PolarHBondContact O-N 3.38Å; E92-R116 IonicContact OE2-CZ 3.62Å; E92-R116 IonicContact OE2-NE 3.14Å; E92-R116 PolarHBondContact OE2-NE 2.94Å; E92-R116 IonicContact OE2-NH2 3.98Å; E92-R116 PolarHBondContact OE2-NH2 2.79Å; E92-Y151 WeakPolarHBondContact CA-OH 3.29Å; E92-Y151 HydrophobicContact CB-CE1 4.2Å; E92-Y151 HydrophobicContact CG-CD1 4.18Å; E92-Y151 HydrophobicContact CG-CE1 3.63Å |
| 93 | D | 97.4 | Very high | 96.7 | Very high | 6 Ų | 6 | 71.5 Ų | 71.5 | 3% | 0.032 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.1 | -41.5 | -179.2 | -84.7 | -1.3 | 0 | 0 | 0 | 113.1 | S74 H76 R89 T90 V91 R97 I114 R116 | S74-D93 WeakPolarHBondContact CB-OD2 3.24Å; S74-D93 PolarHBondContact OG-OD2 3.28Å; H76-D93 IonicContact ND1-OD2 2.66Å; R89-D93 VanDerWaalsContact O-CB 3.28Å; R89-D93 WeakPolarHBondContact O-CB 3.39Å; R89-D93 PolarHBondContact O-N 3.34Å; T90-D93 PolarHBondContact O-N 2.75Å; V91-D93 VanDerWaalsContact C-N 3.31Å; V91-D93 PolarHBondContact O-N 2.94Å; D93-R97 VanDerWaalsContact O-CG 3.32Å; D93-R97 WeakPolarHBondContact O-CG 3.39Å; D93-R97 PolarHBondContact O-N 3.48Å; D93-R97 VanDerWaalsContact O-N 3.15Å; D93-R97 PolarHBondContact O-NH1 3.48Å; D93-I114 HydrophobicContact CB-CD1 4.22Å; D93-R116 IonicContact OD1-CZ 3.76Å; D93-R116 IonicContact OD1-NH1 3.43Å; D93-R116 PolarHBondContact OD1-NH1 3.03Å; D93-R116 IonicContact OD1-NH2 2.86Å; D93-R116 PolarHBondContact OD1-NH2 3.16Å; D93-R116 IonicContact OD2-NH1 2.76Å |
| 94 | V | 98.1 | Very high | 96.7 | Very high | 66 Ų | 66 | 66.1 Ų | 66.1 | 40% | 0.4 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -67.5 | -41.6 | 176.5 | 172.9 | 0 | 0 | 0 | 0 | 110.3 | T90 V91 E92 R97 R98 | T90-V94 WeakPolarHBondContact O-CG2 3.48Å; T90-V94 PolarHBondContact O-N 2.8Å; V91-V94 PolarHBondContact O-N 3.11Å; E92-V94 PolarHBondContact O-N 2.95Å; V94-R97 PolarHBondContact O-N 2.97Å; V94-R98 WeakPolarHBondContact O-CG 3.23Å; V94-R98 PolarHBondContact O-N 3.3Å; V94-R98 VanDerWaalsContact O-N 3.14Å |
| 95 | F | 98.2 | Very high | 96.6 | Very high | 79 Ų | 79 | 65 Ų | 65 | 35% | 0.346 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.3 | -50.9 | 176 | 175.7 | -90.7 | 0 | 0 | 0 | 111.5 | V91 E92 R97 R98 F99 L147 F150 Y151 | V91-F95 PolarHBondContact O-N 3.3Å; E92-F95 WeakPolarHBondContact O-CB 3.5Å; E92-F95 PolarHBondContact O-N 3.39Å; F95-R97 VanDerWaalsContact C-N 3.28Å; F95-R97 PolarHBondContact O-N 3.07Å; F95-R98 PolarHBondContact O-N 3.04Å; F95-R98 VanDerWaalsContact O-N 3.11Å; F95-F99 HydrophobicContact CD1-CB 4.45Å; F95-F99 HydrophobicContact CE1-CB 4.18Å; F95-F99 HydrophobicContact CE1-CG 4.49Å; F95-F99 WeakPolarHBondContact O-CB 3.21Å; F95-F99 PolarHBondContact O-N 3.49Å; F95-L147 HydrophobicContact CE1-CD2 3.95Å; F95-F150 HydrophobicContact CE1-CD1 4.48Å; F95-F150 HydrophobicContact CE1-CE1 4.36Å; F95-F150 HydrophobicContact CZ-CE1 4.44Å; F95-Y151 HydrophobicContact CD1-CE2 4.22Å; F95-Y151 AromaticContact CD1-CZ 3.95Å; F95-Y151 WeakPolarHBondContact CD1-OH 3.35Å; F95-Y151 HydrophobicContact CE1-CE2 4.45Å |
| 96 | I | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -57.8 | -43.1 | -178.8 | -68.6 | 157.9 | 0 | 0 | 0 | 110.4 | E92 R98 F99 M100 I114 L121 V123 Y151 | E92-I96 WeakPolarHBondContact O-CD1 3.27Å; E92-I96 VanDerWaalsContact O-CG1 3.23Å; E92-I96 WeakPolarHBondContact O-CG1 3.47Å; E92-I96 PolarHBondContact O-N 3.38Å; I96-R98 PolarHBondContact O-N 2.84Å; I96-F99 PolarHBondContact O-N 3.45Å; I96-M100 HydrophobicContact CG2-CG 4.16Å; I96-M100 WeakPolarHBondContact O-CB 3.44Å; I96-M100 WeakPolarHBondContact O-CG 3.42Å; I96-M100 PolarHBondContact O-N 3.24Å; I96-I114 HydrophobicContact CB-CD1 4.16Å; I96-I114 HydrophobicContact CD1-CD1 4.49Å; I96-I114 HydrophobicContact CG2-CD1 4.01Å; I96-I114 HydrophobicContact CG2-CG1 4.46Å; I96-L121 HydrophobicContact CD1-CD1 4.24Å; I96-L121 HydrophobicContact CD1-CD2 3.63Å; I96-V123 HydrophobicContact CG2-CG1 4.24Å; I96-V123 HydrophobicContact CG2-CG2 3.99Å; I96-Y151 HydrophobicContact CD1-CE2 4.29Å; I96-Y151 HydrophobicContact CG1-CE2 4.07Å |
| 97 | R | 97.9 | Very high | 96.5 | Very high | 76 Ų | 76 | 64 Ų | 64 | 29% | 0.287 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.7 | -43 | 177.8 | -72.8 | -176.8 | -172.6 | 100.9 | 2.1 | 112.5 | D93 V94 F95 F101 I114 | D93-R97 VanDerWaalsContact O-CG 3.32Å; D93-R97 WeakPolarHBondContact O-CG 3.39Å; D93-R97 PolarHBondContact O-N 3.48Å; D93-R97 VanDerWaalsContact O-N 3.15Å; D93-R97 PolarHBondContact O-NH1 3.48Å; V94-R97 PolarHBondContact O-N 2.97Å; F95-R97 VanDerWaalsContact C-N 3.28Å; F95-R97 PolarHBondContact O-N 3.07Å; R97-F101 VanDerWaalsContact O-CB 3.3Å; R97-F101 WeakPolarHBondContact O-CB 3.44Å; R97-F101 PolarHBondContact O-N 3.02Å; R97-I114 HydrophobicContact CG-CD1 4.3Å |
| 98 | R | 97.8 | Very high | 96.4 | Very high | 190 Ų | 190 | 62.1 Ų | 62.1 | 72% | 0.717 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -67.6 | -43.2 | 177.5 | -70.8 | 179.9 | 179.6 | -145.8 | 1.4 | 111.7 | V94 F95 I96 F101 G102 | V94-R98 WeakPolarHBondContact O-CG 3.23Å; V94-R98 PolarHBondContact O-N 3.3Å; V94-R98 VanDerWaalsContact O-N 3.14Å; F95-R98 PolarHBondContact O-N 3.04Å; F95-R98 VanDerWaalsContact O-N 3.11Å; I96-R98 PolarHBondContact O-N 2.84Å; R98-F101 PolarHBondContact O-N 3.24Å; R98-G102 PolarHBondContact O-N 3.14Å |
| 99 | F | 97.8 | Very high | 96.4 | Very high | 30 Ų | 30 | 55.9 Ų | 55.9 | 13% | 0.132 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.6 | -52.8 | 175.8 | 175.8 | -98.3 | 0 | 0 | 0 | 110.6 | F95 I96 F101 G102 T103 Y142 L146 L147 | F95-F99 HydrophobicContact CD1-CB 4.45Å; F95-F99 HydrophobicContact CE1-CB 4.18Å; F95-F99 HydrophobicContact CE1-CG 4.49Å; F95-F99 WeakPolarHBondContact O-CB 3.21Å; F95-F99 PolarHBondContact O-N 3.49Å; I96-F99 PolarHBondContact O-N 3.45Å; F99-F101 VanDerWaalsContact C-N 3.32Å; F99-F101 PolarHBondContact O-N 3.44Å; F99-G102 PolarHBondContact O-N 3.47Å; F99-G102 VanDerWaalsContact O-N 3.11Å; F99-T103 WeakPolarHBondContact CE2-OG1 3.42Å; F99-T103 WeakPolarHBondContact CZ-OG1 3.12Å; F99-T103 WeakPolarHBondContact O-CB 3.44Å; F99-T103 PolarHBondContact O-N 2.85Å; F99-T103 PolarHBondContact O-OG1 3.15Å; F99-Y142 HydrophobicContact CE2-CE1 4.36Å; F99-Y142 AromaticContact CZ-CE1 3.93Å; F99-Y142 HydrophobicContact CZ-CE1 3.93Å; F99-L146 HydrophobicContact CE2-CD1 4.41Å; F99-L146 HydrophobicContact CE2-CD2 4.41Å; F99-L147 HydrophobicContact CD1-CD1 4.17Å; F99-L147 HydrophobicContact CD1-CD2 4.18Å; F99-L147 HydrophobicContact CD1-CG 4.46Å; F99-L147 HydrophobicContact CE1-CD1 4.04Å; F99-L147 HydrophobicContact CE1-CD2 4.28Å; F99-L147 HydrophobicContact CE1-CG 4.17Å |
| 100 | M | 97.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.8 | -40.1 | 179.2 | -70.3 | -61.9 | -68.6 | 0 | 0 | 112.4 | I96 G102 F104 V112 V123 A125 L157 | I96-M100 HydrophobicContact CG2-CG 4.16Å; I96-M100 WeakPolarHBondContact O-CB 3.44Å; I96-M100 WeakPolarHBondContact O-CG 3.42Å; I96-M100 PolarHBondContact O-N 3.24Å; M100-G102 VanDerWaalsContact C-N 3.34Å; M100-F104 HydrophobicContact CE-CD2 3.54Å; M100-F104 HydrophobicContact CE-CE2 3.43Å; M100-F104 VanDerWaalsContact CE-CE2 3.43Å; M100-F104 WeakPolarHBondContact O-CB 3.35Å; M100-F104 PolarHBondContact O-N 2.98Å; M100-F104 HydrophobicContact SD-CD2 3.99Å; M100-F104 HydrophobicContact SD-CE2 3.77Å; M100-V112 HydrophobicContact CB-CG2 4.07Å; M100-V123 HydrophobicContact CE-CG1 4.32Å; M100-V123 HydrophobicContact CG-CG1 4.29Å; M100-V123 HydrophobicContact SD-CG1 4.41Å; M100-A125 HydrophobicContact CE-CB 4.27Å; M100-L157 HydrophobicContact CE-CD2 3.6Å; M100-L157 HydrophobicContact SD-CD2 3.91Å |
| 101 | F | 96.6 | Very high | 96.3 | Very high | 133 Ų | 133 | 54.9 Ų | 54.9 | 58% | 0.583 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -65.7 | -35.5 | 176.4 | -175.9 | -98 | 0 | 0 | 0 | 112.8 | R97 R98 F99 L108 | R97-F101 VanDerWaalsContact O-CB 3.3Å; R97-F101 WeakPolarHBondContact O-CB 3.44Å; R97-F101 PolarHBondContact O-N 3.02Å; R98-F101 PolarHBondContact O-N 3.24Å; F99-F101 VanDerWaalsContact C-N 3.32Å; F99-F101 PolarHBondContact O-N 3.44Å; F101-L108 HydrophobicContact CB-CD1 4.42Å; F101-L108 HydrophobicContact CD2-CD1 4.44Å |
| 102 | G | 96.1 | Very high | 96.3 | Very high | 49 Ų | 49 | 50.2 Ų | 50.2 | 51% | 0.505 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -74 | -50.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | R98 F99 M100 | R98-G102 PolarHBondContact O-N 3.14Å; F99-G102 PolarHBondContact O-N 3.47Å; F99-G102 VanDerWaalsContact O-N 3.11Å; M100-G102 VanDerWaalsContact C-N 3.34Å |
| 103 | T | 95.8 | Very high | 96.3 | Very high | 29 Ų | 29 | 50.8 Ų | 50.8 | 18% | 0.178 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.6 | -42.7 | -177.4 | -53.9 | 0 | 0 | 0 | 0 | 111.6 | F99 H105 F139 Y142 | F99-T103 WeakPolarHBondContact CE2-OG1 3.42Å; F99-T103 WeakPolarHBondContact CZ-OG1 3.12Å; F99-T103 WeakPolarHBondContact O-CB 3.44Å; F99-T103 PolarHBondContact O-N 2.85Å; F99-T103 PolarHBondContact O-OG1 3.15Å; T103-H105 PolarHBondContact O-N 3.01Å; T103-F139 HydrophobicContact CG2-CD1 3.92Å; T103-F139 HydrophobicContact CG2-CE1 4.45Å; T103-F139 HydrophobicContact CG2-CG 4.43Å; T103-Y142 HydrophobicContact CG2-CD1 4.35Å; T103-Y142 HydrophobicContact CG2-CE1 4.26Å |
| 104 | F | 95.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | 57.4 | -179.3 | -61.5 | -77.2 | 0 | 0 | 0 | 111.8 | M100 G106 C107 M127 M131 F136 F139 | M100-F104 HydrophobicContact CE-CD2 3.54Å; M100-F104 HydrophobicContact CE-CE2 3.43Å; M100-F104 VanDerWaalsContact CE-CE2 3.43Å; M100-F104 WeakPolarHBondContact O-CB 3.35Å; M100-F104 PolarHBondContact O-N 2.98Å; M100-F104 HydrophobicContact SD-CD2 3.99Å; M100-F104 HydrophobicContact SD-CE2 3.77Å; F104-G106 PolarHBondContact O-N 2.52Å; F104-C107 HydrophobicContact CB-CB 4.35Å; F104-C107 PolarHBondContact O-N 3.41Å; F104-C107 VanDerWaalsContact O-N 3.15Å; F104-M127 HydrophobicContact CB-CE 3.38Å; F104-M127 HydrophobicContact CD1-CE 3.23Å; F104-M127 HydrophobicContact CD1-SD 4.36Å; F104-M127 HydrophobicContact CD2-CE 3.99Å; F104-M127 HydrophobicContact CE1-CE 3.85Å; F104-M127 HydrophobicContact CE1-SD 4.45Å; F104-M127 HydrophobicContact CG-CE 3.26Å; F104-M127 HydrophobicContact CZ-CE 4.47Å; F104-M131 HydrophobicContact CD1-CE 4.36Å; F104-F136 HydrophobicContact CD1-CE1 4.5Å; F104-F136 HydrophobicContact CE1-CD1 4.31Å; F104-F139 HydrophobicContact CD1-CB 4.33Å; F104-F139 HydrophobicContact CE1-CB 3.43Å; F104-F139 VanDerWaalsContact CE1-CB 3.43Å; F104-F139 HydrophobicContact CE1-CD2 4.47Å; F104-F139 HydrophobicContact CE1-CG 4.23Å; F104-F139 HydrophobicContact CZ-CB 3.69Å |
| 105 | H | 93.6 | Very high | 96.3 | Very high | 146 Ų | 146 | 50.1 Ų | 50.1 | 68% | 0.676 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 126 | -175.3 | -172.3 | 79 | 0 | 0 | 0 | 112.4 | T103 C107 | T103-H105 PolarHBondContact O-N 3.01Å; H105-C107 PolarHBondContact O-N 2.76Å; H105-C107 PolarHBondContact O-SG 2.74Å; H105-C107 VanDerWaalsContact O-SG 3.33Å |
| 106 | G | 92.4 | Very high | 96.3 | Very high | 35 Ų | 35 | 48.1 Ų | 48.1 | 36% | 0.361 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | 0.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | F104 K130 | F104-G106 PolarHBondContact O-N 2.52Å; G106-K130 VanDerWaalsContact O-CD 3.29Å; G106-K130 WeakPolarHBondContact O-CD 3.18Å; G106-K130 VanDerWaalsContact O-CE 3.3Å; G106-K130 WeakPolarHBondContact O-CE 3.16Å; G106-K130 PolarHBondContact O-NZ 3.43Å |
| 107 | C | 94.4 | Very high | 96.1 | Very high | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.02 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -21.1 | -176.8 | -62.4 | 0 | 0 | 0 | 0 | 112.7 | F104 H105 A109 M127 L128 M131 | F104-C107 HydrophobicContact CB-CB 4.35Å; F104-C107 PolarHBondContact O-N 3.41Å; F104-C107 VanDerWaalsContact O-N 3.15Å; H105-C107 PolarHBondContact O-N 2.76Å; H105-C107 PolarHBondContact O-SG 2.74Å; H105-C107 VanDerWaalsContact O-SG 3.33Å; C107-A109 PolarHBondContact O-N 3.2Å; C107-M127 HydrophobicContact CB-CE 4.07Å; C107-M127 CarbonylContact O-C 3.44Å; C107-M127 VanDerWaalsContact O-CA 3.27Å; C107-M127 WeakPolarHBondContact O-CA 3.46Å; C107-L128 PolarHBondContact O-N 2.66Å; C107-M131 HydrophobicContact CB-CE 4.34Å; C107-M131 WeakPolarHBondContact SG-CE 3.28Å |
| 108 | L | 95.4 | Very high | 95.9 | Very high | 35 Ų | 35 | 57.2 Ų | 57.2 | 18% | 0.183 | 30% | 0.299 | C | S | . | . | B | Isolated β-bridge | trans | -69.9 | 121.8 | 177 | -67.7 | 173.2 | 0 | 0 | 0 | 111.2 | F101 V112 A125 M127 | F101-L108 HydrophobicContact CB-CD1 4.42Å; F101-L108 HydrophobicContact CD2-CD1 4.44Å; L108-V112 HydrophobicContact CD1-CG2 4.1Å; L108-V112 HydrophobicContact CD2-CG2 4.16Å; L108-A125 HydrophobicContact CD2-CB 4.02Å; L108-M127 HydrophobicContact CD2-CE 4.22Å; L108-M127 HydrophobicContact CD2-CG 4.49Å |
| 109 | A | 95 | Very high | 95.7 | Very high | 2 Ų | 2 | 53.5 Ų | 53.5 | 2% | 0.017 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -79 | -43 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | C107 L126 L128 L162 K165 | C107-A109 PolarHBondContact O-N 3.2Å; A109-L126 HydrophobicContact CB-CB 4.3Å; A109-L126 PolarHBondContact N-O 3.29Å; A109-L128 HydrophobicContact CB-CD2 3.9Å; A109-L128 HydrophobicContact CB-CG 3.94Å; A109-L162 HydrophobicContact CB-CD1 4.17Å; A109-K165 WeakPolarHBondContact O-CE 3.33Å |
| 110 | N | 95.1 | Very high | 95.7 | Very high | 36 Ų | 36 | 54.9 Ų | 54.9 | 19% | 0.193 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -130.5 | 176 | -178.5 | -78.8 | -14.5 | 0 | 0 | 0 | 111.2 | T56 L126 | T56-N110 WeakPolarHBondContact CG2-OD1 3.46Å; N110-L126 HydrophobicContact CB-CB 4.38Å; N110-L126 HydrophobicContact CB-CD1 4.17Å |
| 111 | E | 95.1 | Very high | 95.7 | Very high | 103 Ų | 103 | 55.1 Ų | 55.1 | 48% | 0.481 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 149.1 | 172.5 | -62.3 | -172.8 | -166.9 | 0 | 0 | 111.4 | L73 | L73-E111 HydrophobicContact CD1-CB 4Å; L73-E111 WeakPolarHBondContact CD1-OE2 3.5Å |
| 112 | V | 97.1 | Very high | 95.7 | Very high | 6 Ų | 6 | 49.4 Ų | 49.4 | 4% | 0.036 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 135.9 | -177.6 | -179.2 | 0 | 0 | 0 | 0 | 110.2 | M100 L108 I114 V123 | M100-V112 HydrophobicContact CB-CG2 4.07Å; L108-V112 HydrophobicContact CD1-CG2 4.1Å; L108-V112 HydrophobicContact CD2-CG2 4.16Å; V112-I114 HydrophobicContact CG1-CG1 4.35Å; V112-V123 HydrophobicContact CG1-CG1 3.47Å; V112-V123 VanDerWaalsContact CG1-CG1 3.47Å |
| 113 | V | 98.1 | Very high | 95.8 | Very high | 42 Ų | 42 | 47.1 Ų | 47.1 | 26% | 0.255 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 124.3 | 176 | -179.7 | 0 | 0 | 0 | 0 | 109.2 | L73 K115 C124 | L73-V113 HydrophobicContact CD2-CG2 3.98Å; L73-V113 CarbonylContact O-C 3.53Å; L73-V113 WeakPolarHBondContact O-CA 3.45Å; V113-K115 HydrophobicContact CG1-CG 4.38Å; V113-C124 HydrophobicContact CB-CB 4.2Å; V113-C124 PolarHBondContact N-O 3.15Å; V113-C124 PolarHBondContact O-N 3.07Å |
| 114 | I | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 127 | -177.1 | -55 | 173.8 | 0 | 0 | 0 | 108.7 | L73 S74 Q75 D93 I96 R97 V112 L121 | L73-I114 PolarHBondContact O-N 3.08Å; S74-I114 WeakPolarHBondContact CA-O 3.27Å; Q75-I114 PolarHBondContact N-O 2.94Å; D93-I114 HydrophobicContact CB-CD1 4.22Å; I96-I114 HydrophobicContact CB-CD1 4.16Å; I96-I114 HydrophobicContact CD1-CD1 4.49Å; I96-I114 HydrophobicContact CG2-CD1 4.01Å; I96-I114 HydrophobicContact CG2-CG1 4.46Å; R97-I114 HydrophobicContact CG-CD1 4.3Å; V112-I114 HydrophobicContact CG1-CG1 4.35Å; I114-L121 HydrophobicContact CG2-CD1 3.67Å |
| 115 | K | 98 | Very high | 96 | Very high | 59 Ų | 59 | 46.9 Ų | 46.9 | 26% | 0.257 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 124.8 | 178 | -56.3 | 174.3 | -174.1 | 166.6 | 0 | 108.7 | V113 V122 | V113-K115 HydrophobicContact CG1-CG 4.38Å; K115-V122 HydrophobicContact CB-CB 4.3Å; K115-V122 PolarHBondContact N-O 3Å; K115-V122 PolarHBondContact O-N 3.18Å |
| 116 | R | 96.9 | Very high | 96.1 | Very high | 36 Ų | 36 | 42.2 Ų | 42.2 | 14% | 0.136 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 122.4 | 170.5 | -69.1 | -175.2 | -179 | 73.7 | -2.9 | 109.4 | Q75 H76 R89 E92 D93 L121 | Q75-R116 PolarHBondContact O-N 2.91Å; H76-R116 HydrophobicContact CB-CB 4.26Å; H76-R116 HydrophobicContact CB-CG 4.49Å; R89-R116 PolarHBondContact O-NH2 2.85Å; E92-R116 IonicContact OE2-CZ 3.62Å; E92-R116 IonicContact OE2-NE 3.14Å; E92-R116 PolarHBondContact OE2-NE 2.94Å; E92-R116 IonicContact OE2-NH2 3.98Å; E92-R116 PolarHBondContact OE2-NH2 2.79Å; D93-R116 IonicContact OD1-CZ 3.76Å; D93-R116 IonicContact OD1-NH1 3.43Å; D93-R116 PolarHBondContact OD1-NH1 3.03Å; D93-R116 IonicContact OD1-NH2 2.86Å; D93-R116 PolarHBondContact OD1-NH2 3.16Å; D93-R116 IonicContact OD2-NH1 2.76Å; R116-L121 HydrophobicContact CG-CD1 3.75Å |
| 117 | R | 94.8 | Very high | 96.3 | Very high | 187 Ų | 187 | 40.6 Ų | 40.6 | 71% | 0.706 | 22% | 0.219 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 93.3 | 175.4 | -66.3 | -173.2 | 177.7 | -171.8 | -1 | 108.2 | N119 V120 | R117-N119 PolarHBondContact O-N 2.79Å; R117-V120 PolarHBondContact N-O 2.91Å; R117-V120 PolarHBondContact O-N 2.96Å |
| 118 | G | 92.1 | Very high | 96.4 | Very high | 81 Ų | 81 | 41.5 Ų | 41.5 | 84% | 0.835 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | -124.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | V120 | G118-V120 VanDerWaalsContact C-N 3.33Š|
| 119 | N | 94.8 | Very high | 96.3 | Very high | 112 Ų | 112 | 45.1 Ų | 45.1 | 60% | 0.599 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -9.9 | 178.4 | -163.3 | 27.2 | 0 | 0 | 0 | 113.9 | R117 C153 P154 | R117-N119 PolarHBondContact O-N 2.79Å; N119-C153 WeakPolarHBondContact O-CB 3.5Å; N119-C153 WeakPolarHBondContact OD1-CB 3.36Å; N119-P154 WeakPolarHBondContact O-CD 3.33Å |
| 120 | V | 96.7 | Very high | 96.1 | Very high | 58 Ų | 58 | 51.6 Ų | 51.6 | 35% | 0.352 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 125.3 | -178.2 | -174.4 | 0 | 0 | 0 | 0 | 110.4 | R117 G118 V122 P154 | R117-V120 PolarHBondContact N-O 2.91Å; R117-V120 PolarHBondContact O-N 2.96Å; G118-V120 VanDerWaalsContact C-N 3.33Å; V120-V122 HydrophobicContact CG1-CG2 3.92Å; V120-P154 WeakPolarHBondContact CA-O 3.43Å; V120-P154 HydrophobicContact CB-CG 4.5Å; V120-P154 HydrophobicContact CG2-CG 3.94Å |
| 121 | L | 97.4 | Very high | 96 | Very high | 6 Ų | 6 | 52.2 Ų | 52.2 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 113.2 | 171.7 | -179.9 | 73 | 0 | 0 | 0 | 109.4 | I96 I114 R116 V123 P154 V155 K156 | I96-L121 HydrophobicContact CD1-CD1 4.24Å; I96-L121 HydrophobicContact CD1-CD2 3.63Å; I114-L121 HydrophobicContact CG2-CD1 3.67Å; R116-L121 HydrophobicContact CG-CD1 3.75Å; L121-V123 HydrophobicContact CD2-CG2 4.23Å; L121-V123 HydrophobicContact CG-CG2 4.13Å; L121-P154 PolarHBondContact N-O 2.79Å; L121-V155 HydrophobicContact CB-CG2 4.17Å; L121-V155 HydrophobicContact CD2-CG1 4.02Å; L121-V155 HydrophobicContact CD2-CG2 3.91Å; L121-V155 HydrophobicContact CG-CG1 4.41Å; L121-V155 CarbonylContact O-C 3.57Å; L121-V155 WeakPolarHBondContact O-CA 3.46Å; L121-K156 PolarHBondContact O-N 3.03Å |
| 122 | V | 98.2 | Very high | 96 | Very high | 13 Ų | 13 | 50.4 Ų | 50.4 | 8% | 0.079 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 117.6 | 176 | -172.5 | 0 | 0 | 0 | 0 | 109.1 | K115 V120 K156 E158 | K115-V122 HydrophobicContact CB-CB 4.3Å; K115-V122 PolarHBondContact N-O 3Å; K115-V122 PolarHBondContact O-N 3.18Å; V120-V122 HydrophobicContact CG1-CG2 3.92Å; V122-K156 CarbonylContact C-O 3.6Å; V122-K156 WeakPolarHBondContact CA-O 3.26Å; V122-E158 HydrophobicContact CG1-CG 3.9Å |
| 123 | V | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 111 | 178 | 179.9 | 0 | 0 | 0 | 0 | 108.2 | I96 M100 V112 L121 V155 K156 L157 E158 | I96-V123 HydrophobicContact CG2-CG1 4.24Å; I96-V123 HydrophobicContact CG2-CG2 3.99Å; M100-V123 HydrophobicContact CE-CG1 4.32Å; M100-V123 HydrophobicContact CG-CG1 4.29Å; M100-V123 HydrophobicContact SD-CG1 4.41Å; V112-V123 HydrophobicContact CG1-CG1 3.47Å; V112-V123 VanDerWaalsContact CG1-CG1 3.47Å; L121-V123 HydrophobicContact CD2-CG2 4.23Å; L121-V123 HydrophobicContact CG-CG2 4.13Å; V123-V155 HydrophobicContact CG2-CG1 4.5Å; V123-K156 PolarHBondContact N-O 3Å; V123-L157 HydrophobicContact CB-CD2 3.58Å; V123-L157 HydrophobicContact CB-CG 4.43Å; V123-L157 HydrophobicContact CG1-CD2 3.6Å; V123-L157 WeakPolarHBondContact O-CA 3.34Å; V123-E158 PolarHBondContact O-N 2.82Å |
| 124 | C | 98 | Very high | 95.8 | Very high | 21 Ų | 21 | 60.1 Ų | 60.1 | 14% | 0.142 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 127.9 | 179 | -53 | 0 | 0 | 0 | 0 | 110.1 | V113 E158 | V113-C124 HydrophobicContact CB-CB 4.2Å; V113-C124 PolarHBondContact N-O 3.15Å; V113-C124 PolarHBondContact O-N 3.07Å; C124-E158 CarbonylContact C-O 3.55Å; C124-E158 VanDerWaalsContact CA-O 3.26Å; C124-E158 WeakPolarHBondContact CA-O 3.47Å |
| 125 | A | 96.8 | Very high | 95.6 | Very high | 3 Ų | 3 | 65.8 Ų | 65.8 | 3% | 0.025 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 137.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | M100 L108 M127 E158 I159 Q160 | M100-A125 HydrophobicContact CE-CB 4.27Å; L108-A125 HydrophobicContact CD2-CB 4.02Å; A125-M127 HydrophobicContact CB-CG 4.17Å; A125-E158 PolarHBondContact N-O 3.15Å; A125-I159 HydrophobicContact CB-CG1 4.48Å; A125-I159 WeakPolarHBondContact O-CA 3.02Å; A125-Q160 PolarHBondContact O-N 3.47Å |
| 126 | L | 96.6 | Very high | 95.5 | Very high | 49 Ų | 49 | 63.7 Ų | 63.7 | 26% | 0.257 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 120.6 | 168 | -60.9 | -176 | 0 | 0 | 0 | 108.9 | A109 N110 Q160 L162 | A109-L126 HydrophobicContact CB-CB 4.3Å; A109-L126 PolarHBondContact N-O 3.29Å; N110-L126 HydrophobicContact CB-CB 4.38Å; N110-L126 HydrophobicContact CB-CD1 4.17Å; L126-Q160 WeakPolarHBondContact CA-O 3.23Å; L126-Q160 HydrophobicContact CD2-CB 3.7Å; L126-Q160 HydrophobicContact CD2-CG 4.02Å; L126-Q160 VanDerWaalsContact CD2-OE1 3.31Å; L126-L162 HydrophobicContact CB-CD1 4.24Å; L126-L162 HydrophobicContact CD1-CD1 4.39Å |
| 127 | M | 95.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 143.3 | -170.5 | -54.8 | -165.1 | 90.4 | 0 | 0 | 112.3 | F104 C107 L108 A125 F136 I159 Q160 T161 L162 | F104-M127 HydrophobicContact CB-CE 3.38Å; F104-M127 HydrophobicContact CD1-CE 3.23Å; F104-M127 HydrophobicContact CD1-SD 4.36Å; F104-M127 HydrophobicContact CD2-CE 3.99Å; F104-M127 HydrophobicContact CE1-CE 3.85Å; F104-M127 HydrophobicContact CE1-SD 4.45Å; F104-M127 HydrophobicContact CG-CE 3.26Å; F104-M127 HydrophobicContact CZ-CE 4.47Å; C107-M127 HydrophobicContact CB-CE 4.07Å; C107-M127 CarbonylContact O-C 3.44Å; C107-M127 VanDerWaalsContact O-CA 3.27Å; C107-M127 WeakPolarHBondContact O-CA 3.46Å; L108-M127 HydrophobicContact CD2-CE 4.22Å; L108-M127 HydrophobicContact CD2-CG 4.49Å; A125-M127 HydrophobicContact CB-CG 4.17Å; M127-F136 HydrophobicContact CB-CE1 4.28Å; M127-F136 HydrophobicContact CE-CD1 4.38Å; M127-F136 HydrophobicContact CE-CE1 3.71Å; M127-F136 HydrophobicContact SD-CD1 4.03Å; M127-F136 HydrophobicContact SD-CE1 3.65Å; M127-I159 HydrophobicContact CB-CG2 4.11Å; M127-I159 HydrophobicContact CG-CG1 4.47Å; M127-I159 HydrophobicContact CG-CG2 3.71Å; M127-I159 HydrophobicContact SD-CB 4.24Å; M127-I159 HydrophobicContact SD-CD1 3.6Å; M127-I159 VanDerWaalsContact SD-CD1 3.6Å; M127-I159 HydrophobicContact SD-CG1 3.7Å; M127-I159 HydrophobicContact SD-CG2 3.5Å; M127-I159 WeakPolarHBondContact SD-CG2 3.36Å; M127-Q160 PolarHBondContact N-O 2.86Å; M127-T161 CarbonylContact O-C 3.44Å; M127-T161 VanDerWaalsContact O-CA 3.24Å; M127-T161 WeakPolarHBondContact O-CA 3.5Å; M127-L162 PolarHBondContact O-N 3.06Å |
| 128 | L | 95.8 | Very high | 95.6 | Very high | 22 Ų | 22 | 67.9 Ų | 67.9 | 12% | 0.115 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 142.7 | 171.3 | -61.8 | 174.4 | 0 | 0 | 0 | 109.8 | C107 A109 K130 L162 K165 | C107-L128 PolarHBondContact O-N 2.66Å; A109-L128 HydrophobicContact CB-CD2 3.9Å; A109-L128 HydrophobicContact CB-CG 3.94Å; L128-K130 HydrophobicContact CB-CG 4.11Å; L128-K130 PolarHBondContact O-N 2.71Å; L128-L162 WeakPolarHBondContact CA-O 3.48Å; L128-K165 HydrophobicContact CD2-CB 4.48Å |
| 129 | Q | 93.3 | Very high | 95.8 | Very high | 112 Ų | 112 | 66.7 Ų | 66.7 | 52% | 0.523 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -77.2 | 54.2 | 179.8 | -63.6 | 176.2 | -2.2 | 0 | 0 | 112.7 | T161 L162 | Q129-T161 HydrophobicContact CG-CG2 4.41Å; Q129-T161 PolarHBondContact NE2-OG1 3.38Å; Q129-L162 PolarHBondContact N-O 3.07Å |
| 130 | K | 92.1 | Very high | 95.9 | Very high | 138 Ų | 138 | 62.8 Ų | 62.8 | 60% | 0.6 | 30% | 0.304 | S | S | * | . | trans | -85.5 | -13.9 | 180 | -67.8 | -172.3 | 179.6 | 176 | 0 | 114.4 | G106 L128 | G106-K130 VanDerWaalsContact O-CD 3.29Å; G106-K130 WeakPolarHBondContact O-CD 3.18Å; G106-K130 VanDerWaalsContact O-CE 3.3Å; G106-K130 WeakPolarHBondContact O-CE 3.16Å; G106-K130 PolarHBondContact O-NZ 3.43Å; L128-K130 HydrophobicContact CB-CG 4.11Å; L128-K130 PolarHBondContact O-N 2.71Å | ||
| 131 | M | 91.9 | Very high | 95.9 | Very high | 48 Ų | 48 | 61.5 Ų | 61.5 | 24% | 0.236 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -126.1 | 153.8 | -175.9 | -62.2 | -174.3 | -60.2 | 0 | 0 | 110.3 | F104 C107 F136 F139 | F104-M131 HydrophobicContact CD1-CE 4.36Å; C107-M131 HydrophobicContact CB-CE 4.34Å; C107-M131 WeakPolarHBondContact SG-CE 3.28Å; M131-F136 HydrophobicContact CB-CD2 4.16Å; M131-F136 HydrophobicContact CB-CE2 3.74Å; M131-F136 HydrophobicContact CB-CZ 4.21Å; M131-F136 HydrophobicContact CE-CD1 4.1Å; M131-F136 HydrophobicContact CE-CE1 3.67Å; M131-F136 HydrophobicContact CE-CE2 4.24Å; M131-F136 HydrophobicContact CE-CZ 3.75Å; M131-F136 VanDerWaalsContact O-CE2 3.27Å; M131-F136 WeakPolarHBondContact O-CE2 3.42Å; M131-F139 HydrophobicContact CE-CD2 4.46Å; M131-F139 HydrophobicContact SD-CE2 4.5Å |
| 132 | P | 94.6 | Very high | 95.9 | Very high | 65 Ų | 65 | 66.2 Ų | 66.2 | 42% | 0.422 | 32% | 0.321 | S | S | . | . | trans | -64.8 | 148.3 | 174.9 | 27.2 | -35.3 | 0 | 0 | 0 | 111.1 | Q134 K135 F136 | P132-Q134 PolarHBondContact O-N 3.42Å; P132-Q134 VanDerWaalsContact O-N 3.14Å; P132-K135 HydrophobicContact CG-CB 4.38Å; P132-K135 HydrophobicContact CG-CD 3.93Å; P132-K135 HydrophobicContact CG-CG 3.99Å; P132-K135 PolarHBondContact O-N 3.33Å; P132-K135 VanDerWaalsContact O-N 3.1Å; P132-F136 PolarHBondContact O-N 2.8Å | ||
| 133 | P | 94.9 | Very high | 95.9 | Very high | 88 Ų | 88 | 65.6 Ų | 65.6 | 57% | 0.571 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -54.6 | -35.7 | -177.4 | -28 | 34.8 | 0 | 0 | 0 | 114.4 | K135 F136 Y137 | P133-K135 VanDerWaalsContact C-N 3.31Å; P133-K135 PolarHBondContact O-N 3.14Å; P133-F136 WeakPolarHBondContact O-CA 3.42Å; P133-F136 WeakPolarHBondContact O-CB 3.23Å; P133-F136 PolarHBondContact O-N 3.27Å; P133-Y137 HydrophobicContact CB-CD2 4.43Å; P133-Y137 HydrophobicContact CB-CE2 4.2Å; P133-Y137 WeakPolarHBondContact O-CD2 3.14Å; P133-Y137 PolarHBondContact O-N 2.96Å |
| 134 | Q | 96.2 | Very high | 95.9 | Very high | 165 Ų | 165 | 68.2 Ų | 68.2 | 77% | 0.771 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -57.9 | -41.6 | 179.5 | -66.3 | 173.2 | -13.3 | 0 | 0 | 112.5 | P132 Y137 F138 | P132-Q134 PolarHBondContact O-N 3.42Å; P132-Q134 VanDerWaalsContact O-N 3.14Å; Q134-Y137 PolarHBondContact O-N 3.1Å; Q134-F138 PolarHBondContact O-N 3.01Å |
| 135 | K | 95.1 | Very high | 95.9 | Very high | 118 Ų | 118 | 70.3 Ų | 70.3 | 51% | 0.513 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69.2 | -36.2 | 176.5 | -69.8 | -175.3 | -178 | -179.2 | 0 | 111.5 | P132 P133 F138 F139 | P132-K135 HydrophobicContact CG-CB 4.38Å; P132-K135 HydrophobicContact CG-CD 3.93Å; P132-K135 HydrophobicContact CG-CG 3.99Å; P132-K135 PolarHBondContact O-N 3.33Å; P132-K135 VanDerWaalsContact O-N 3.1Å; P133-K135 VanDerWaalsContact C-N 3.31Å; P133-K135 PolarHBondContact O-N 3.14Å; K135-F138 PolarHBondContact O-N 3.37Å; K135-F139 WeakPolarHBondContact O-CD2 3.14Å; K135-F139 PolarHBondContact O-N 2.88Å |
| 136 | F | 94.8 | Very high | 96 | Very high | 15 Ų | 15 | 72.7 Ų | 72.7 | 7% | 0.066 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.2 | -51.6 | 173.2 | -82.8 | -71 | 0 | 0 | 0 | 111.1 | F104 M127 M131 P132 P133 F138 F139 I140 | F104-F136 HydrophobicContact CD1-CE1 4.5Å; F104-F136 HydrophobicContact CE1-CD1 4.31Å; M127-F136 HydrophobicContact CB-CE1 4.28Å; M127-F136 HydrophobicContact CE-CD1 4.38Å; M127-F136 HydrophobicContact CE-CE1 3.71Å; M127-F136 HydrophobicContact SD-CD1 4.03Å; M127-F136 HydrophobicContact SD-CE1 3.65Å; M131-F136 HydrophobicContact CB-CD2 4.16Å; M131-F136 HydrophobicContact CB-CE2 3.74Å; M131-F136 HydrophobicContact CB-CZ 4.21Å; M131-F136 HydrophobicContact CE-CD1 4.1Å; M131-F136 HydrophobicContact CE-CE1 3.67Å; M131-F136 HydrophobicContact CE-CE2 4.24Å; M131-F136 HydrophobicContact CE-CZ 3.75Å; M131-F136 VanDerWaalsContact O-CE2 3.27Å; M131-F136 WeakPolarHBondContact O-CE2 3.42Å; P132-F136 PolarHBondContact O-N 2.8Å; P133-F136 WeakPolarHBondContact O-CA 3.42Å; P133-F136 WeakPolarHBondContact O-CB 3.23Å; P133-F136 PolarHBondContact O-N 3.27Å; F136-F138 VanDerWaalsContact C-N 3.29Å; F136-F138 PolarHBondContact O-N 2.95Å; F136-F139 PolarHBondContact O-N 2.95Å; F136-F139 VanDerWaalsContact O-N 3.15Å; F136-I140 WeakPolarHBondContact O-CB 3.45Å; F136-I140 WeakPolarHBondContact O-CD1 3.49Å; F136-I140 WeakPolarHBondContact O-CG1 3.36Å; F136-I140 PolarHBondContact O-N 2.82Å |
| 137 | Y | 96.5 | Very high | 96.1 | Very high | 173 Ų | 173 | 70.4 Ų | 70.4 | 68% | 0.678 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -58.9 | -39.6 | 178 | -72.7 | -67.3 | 0 | 0 | 0 | 112.8 | P133 Q134 I140 G141 | P133-Y137 HydrophobicContact CB-CD2 4.43Å; P133-Y137 HydrophobicContact CB-CE2 4.2Å; P133-Y137 WeakPolarHBondContact O-CD2 3.14Å; P133-Y137 PolarHBondContact O-N 2.96Å; Q134-Y137 PolarHBondContact O-N 3.1Å; Y137-I140 HydrophobicContact CD1-CD1 4.38Å; Y137-I140 PolarHBondContact O-N 2.84Å; Y137-G141 PolarHBondContact O-N 3.29Å |
| 138 | F | 97.1 | Very high | 96.2 | Very high | 138 Ų | 138 | 72.3 Ų | 72.3 | 61% | 0.605 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -59.7 | -51.7 | 173.2 | 176.2 | -96 | 0 | 0 | 0 | 112.1 | Q134 K135 F136 I140 G141 Y142 | Q134-F138 PolarHBondContact O-N 3.01Å; K135-F138 PolarHBondContact O-N 3.37Å; F136-F138 VanDerWaalsContact C-N 3.29Å; F136-F138 PolarHBondContact O-N 2.95Å; F138-I140 VanDerWaalsContact C-N 3.3Å; F138-I140 PolarHBondContact O-N 2.87Å; F138-G141 PolarHBondContact O-N 3.42Å; F138-Y142 VanDerWaalsContact O-CB 3.31Å; F138-Y142 WeakPolarHBondContact O-CB 3.1Å; F138-Y142 PolarHBondContact O-N 2.87Å |
| 139 | F | 96.4 | Very high | 96.3 | Very high | 57 Ų | 57 | 77.6 Ų | 77.6 | 25% | 0.25 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -67.3 | -30.3 | -179.1 | -76.1 | -55 | 0 | 0 | 0 | 113.4 | T103 F104 M131 K135 F136 Y142 S143 | T103-F139 HydrophobicContact CG2-CD1 3.92Å; T103-F139 HydrophobicContact CG2-CE1 4.45Å; T103-F139 HydrophobicContact CG2-CG 4.43Å; F104-F139 HydrophobicContact CD1-CB 4.33Å; F104-F139 HydrophobicContact CE1-CB 3.43Å; F104-F139 VanDerWaalsContact CE1-CB 3.43Å; F104-F139 HydrophobicContact CE1-CD2 4.47Å; F104-F139 HydrophobicContact CE1-CG 4.23Å; F104-F139 HydrophobicContact CZ-CB 3.69Å; M131-F139 HydrophobicContact CE-CD2 4.46Å; M131-F139 HydrophobicContact SD-CE2 4.5Å; K135-F139 WeakPolarHBondContact O-CD2 3.14Å; K135-F139 PolarHBondContact O-N 2.88Å; F136-F139 PolarHBondContact O-N 2.95Å; F136-F139 VanDerWaalsContact O-N 3.15Å; F139-Y142 HydrophobicContact CD1-CD1 4.36Å; F139-S143 WeakPolarHBondContact O-CB 3.27Å; F139-S143 PolarHBondContact O-N 3.26Å; F139-S143 PolarHBondContact O-OG 2.95Å |
| 140 | I | 97.1 | Very high | 96.5 | Very high | 30 Ų | 30 | 78.1 Ų | 78.1 | 15% | 0.154 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61 | -57.7 | 171.8 | -69.1 | 163.2 | 0 | 0 | 0 | 109.2 | F136 Y137 F138 Y142 S143 E144 L157 I159 | F136-I140 WeakPolarHBondContact O-CB 3.45Å; F136-I140 WeakPolarHBondContact O-CD1 3.49Å; F136-I140 WeakPolarHBondContact O-CG1 3.36Å; F136-I140 PolarHBondContact O-N 2.82Å; Y137-I140 HydrophobicContact CD1-CD1 4.38Å; Y137-I140 PolarHBondContact O-N 2.84Å; F138-I140 VanDerWaalsContact C-N 3.3Å; F138-I140 PolarHBondContact O-N 2.87Å; I140-Y142 VanDerWaalsContact C-N 3.34Å; I140-Y142 PolarHBondContact O-N 2.87Å; I140-S143 PolarHBondContact O-N 2.93Å; I140-S143 VanDerWaalsContact O-N 3.15Å; I140-E144 HydrophobicContact CG2-CG 4.42Å; I140-E144 WeakPolarHBondContact O-CG 3.48Å; I140-E144 PolarHBondContact O-N 3.38Å; I140-L157 HydrophobicContact CG2-CB 4.3Å; I140-I159 HydrophobicContact CD1-CD1 3.47Å; I140-I159 VanDerWaalsContact CD1-CD1 3.47Å; I140-I159 HydrophobicContact CG1-CD1 3.3Å |
| 141 | G | 97.9 | Very high | 96.7 | Very high | 30 Ų | 30 | 73.8 Ų | 73.8 | 31% | 0.309 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.1 | -40.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113 | Y137 F138 S145 | Y137-G141 PolarHBondContact O-N 3.29Å; F138-G141 PolarHBondContact O-N 3.42Å; G141-S145 VanDerWaalsContact O-CB 3.28Å; G141-S145 WeakPolarHBondContact O-CB 3.37Å; G141-S145 PolarHBondContact O-N 2.95Å; G141-S145 PolarHBondContact O-OG 2.92Å |
| 142 | Y | 97.9 | Very high | 96.9 | Very high | 106 Ų | 106 | 79.4 Ų | 79.4 | 42% | 0.416 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -57 | -50.1 | 172.9 | 165.2 | -104.9 | 0 | 0 | 0 | 111.9 | F99 T103 F138 F139 I140 L146 | F99-Y142 HydrophobicContact CE2-CE1 4.36Å; F99-Y142 AromaticContact CZ-CE1 3.93Å; F99-Y142 HydrophobicContact CZ-CE1 3.93Å; T103-Y142 HydrophobicContact CG2-CD1 4.35Å; T103-Y142 HydrophobicContact CG2-CE1 4.26Å; F138-Y142 VanDerWaalsContact O-CB 3.31Å; F138-Y142 WeakPolarHBondContact O-CB 3.1Å; F138-Y142 PolarHBondContact O-N 2.87Å; F139-Y142 HydrophobicContact CD1-CD1 4.36Å; I140-Y142 VanDerWaalsContact C-N 3.34Å; I140-Y142 PolarHBondContact O-N 2.87Å; Y142-L146 HydrophobicContact CE1-CD1 4.27Å; Y142-L146 HydrophobicContact CE2-CD1 3.74Å; Y142-L146 WeakPolarHBondContact O-CB 3.31Å; Y142-L146 PolarHBondContact O-N 2.88Å; Y142-L146 VanDerWaalsContact OH-CD1 3.23Å; Y142-L146 WeakPolarHBondContact OH-CD1 3.48Å |
| 143 | S | 97.7 | Very high | 97 | Very high | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -70.8 | -42.3 | -175.6 | -60.5 | 0 | 0 | 0 | 0 | 111.9 | F139 I140 L147 | F139-S143 WeakPolarHBondContact O-CB 3.27Å; F139-S143 PolarHBondContact O-N 3.26Å; F139-S143 PolarHBondContact O-OG 2.95Å; I140-S143 PolarHBondContact O-N 2.93Å; I140-S143 VanDerWaalsContact O-N 3.15Å; S143-L147 VanDerWaalsContact O-CB 3.23Å; S143-L147 WeakPolarHBondContact O-CB 3.22Å; S143-L147 WeakPolarHBondContact O-CG 3.31Å; S143-L147 PolarHBondContact O-N 2.87Å |
| 144 | E | 98 | Very high | 97.2 | Very high | 54 Ų | 54 | 75.9 Ų | 75.9 | 25% | 0.252 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.3 | -47.2 | 175.5 | -71.3 | -176 | 154.3 | 0 | 0 | 111.1 | I140 S148 L157 | I140-E144 HydrophobicContact CG2-CG 4.42Å; I140-E144 WeakPolarHBondContact O-CG 3.48Å; I140-E144 PolarHBondContact O-N 3.38Å; E144-S148 WeakPolarHBondContact O-CB 3.3Å; E144-S148 PolarHBondContact O-N 3.32Å; E144-L157 HydrophobicContact CG-CB 4.02Å; E144-L157 HydrophobicContact CG-CD1 4.01Å; E144-L157 HydrophobicContact CG-CG 4.15Å; E144-L157 PolarHBondContact OE1-N 3.26Å |
| 145 | S | 98.3 | Very high | 97.3 | Very high | 65 Ų | 65 | 68.6 Ų | 68.6 | 46% | 0.455 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.8 | -49.2 | -179.3 | -54.6 | 0 | 0 | 0 | 0 | 111.4 | G141 S148 H149 | G141-S145 VanDerWaalsContact O-CB 3.28Å; G141-S145 WeakPolarHBondContact O-CB 3.37Å; G141-S145 PolarHBondContact O-N 2.95Å; G141-S145 PolarHBondContact O-OG 2.92Å; S145-S148 PolarHBondContact O-N 3.06Å; S145-H149 PolarHBondContact O-CD2 2.85Å; S145-H149 PolarHBondContact O-N 3.45Å |
| 146 | L | 98.3 | Very high | 97.4 | Very high | 54 Ų | 54 | 68 Ų | 68 | 28% | 0.283 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.3 | -50.8 | -179.3 | -175 | 160.2 | 0 | 0 | 0 | 111.3 | F99 Y142 S148 H149 F150 | F99-L146 HydrophobicContact CE2-CD1 4.41Å; F99-L146 HydrophobicContact CE2-CD2 4.41Å; Y142-L146 HydrophobicContact CE1-CD1 4.27Å; Y142-L146 HydrophobicContact CE2-CD1 3.74Å; Y142-L146 WeakPolarHBondContact O-CB 3.31Å; Y142-L146 PolarHBondContact O-N 2.88Å; Y142-L146 VanDerWaalsContact OH-CD1 3.23Å; Y142-L146 WeakPolarHBondContact OH-CD1 3.48Å; L146-S148 VanDerWaalsContact C-N 3.29Å; L146-S148 PolarHBondContact O-N 3.15Å; L146-H149 PolarHBondContact O-N 2.93Å; L146-F150 VanDerWaalsContact O-CB 3.31Å; L146-F150 WeakPolarHBondContact O-CB 3.23Å; L146-F150 PolarHBondContact O-N 3.37Å |
| 147 | L | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.5 | -34.7 | -177.9 | -65.5 | 174 | 0 | 0 | 0 | 111.4 | F95 F99 S143 F150 Y151 V155 | F95-L147 HydrophobicContact CE1-CD2 3.95Å; F99-L147 HydrophobicContact CD1-CD1 4.17Å; F99-L147 HydrophobicContact CD1-CD2 4.18Å; F99-L147 HydrophobicContact CD1-CG 4.46Å; F99-L147 HydrophobicContact CE1-CD1 4.04Å; F99-L147 HydrophobicContact CE1-CD2 4.28Å; F99-L147 HydrophobicContact CE1-CG 4.17Å; S143-L147 VanDerWaalsContact O-CB 3.23Å; S143-L147 WeakPolarHBondContact O-CB 3.22Å; S143-L147 WeakPolarHBondContact O-CG 3.31Å; S143-L147 PolarHBondContact O-N 2.87Å; L147-F150 PolarHBondContact O-N 3.15Å; L147-Y151 HydrophobicContact CB-CD2 4.5Å; L147-Y151 HydrophobicContact CD2-CD2 4.41Å; L147-Y151 HydrophobicContact CD2-CE2 4.05Å; L147-Y151 PolarHBondContact O-N 3.33Å; L147-V155 HydrophobicContact CB-CB 4.2Å; L147-V155 HydrophobicContact CB-CG1 4.11Å; L147-V155 HydrophobicContact CB-CG2 3.82Å; L147-V155 HydrophobicContact CD1-CG1 4.19Å |
| 148 | S | 97.9 | Very high | 97.6 | Very high | 40 Ų | 40 | 63.3 Ų | 63.3 | 28% | 0.28 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.9 | -46.4 | 174.2 | -179.1 | 0 | 0 | 0 | 0 | 112.1 | E144 S145 L146 F150 K152 C153 | E144-S148 WeakPolarHBondContact O-CB 3.3Å; E144-S148 PolarHBondContact O-N 3.32Å; S145-S148 PolarHBondContact O-N 3.06Å; L146-S148 VanDerWaalsContact C-N 3.29Å; L146-S148 PolarHBondContact O-N 3.15Å; S148-F150 VanDerWaalsContact C-N 3.35Å; S148-F150 PolarHBondContact O-N 3.05Å; S148-K152 VanDerWaalsContact O-CA 3.24Å; S148-K152 WeakPolarHBondContact O-CA 3.06Å; S148-K152 PolarHBondContact O-N 2.99Å; S148-C153 VanDerWaalsContact CA-O 3.23Å; S148-C153 WeakPolarHBondContact CA-O 3.17Å; S148-C153 PolarHBondContact O-N 3.21Å; S148-C153 PolarHBondContact OG-O 3.4Å |
| 149 | H | 98.1 | Very high | 97.5 | Very high | 134 Ų | 134 | 59 Ų | 59 | 62% | 0.62 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -69.4 | -30.5 | 176.3 | -74.5 | -64.4 | 0 | 0 | 0 | 113.6 | S145 L146 K152 | S145-H149 PolarHBondContact O-CD2 2.85Å; S145-H149 PolarHBondContact O-N 3.45Å; L146-H149 PolarHBondContact O-N 2.93Å; H149-K152 WeakPolarHBondContact O-CD 3.4Å; H149-K152 VanDerWaalsContact O-CE 3.22Å; H149-K152 WeakPolarHBondContact O-CE 3.5Å; H149-K152 PolarHBondContact O-NZ 2.86Å |
| 150 | F | 97.6 | Very high | 97.5 | Very high | 122 Ų | 122 | 62 Ų | 62 | 54% | 0.535 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -74.6 | -50.7 | 179.8 | -173.2 | -104.6 | 0 | 0 | 0 | 111.8 | F95 L146 L147 S148 | F95-F150 HydrophobicContact CE1-CD1 4.48Å; F95-F150 HydrophobicContact CE1-CE1 4.36Å; F95-F150 HydrophobicContact CZ-CE1 4.44Å; L146-F150 VanDerWaalsContact O-CB 3.31Å; L146-F150 WeakPolarHBondContact O-CB 3.23Å; L146-F150 PolarHBondContact O-N 3.37Å; L147-F150 PolarHBondContact O-N 3.15Å; S148-F150 VanDerWaalsContact C-N 3.35Å; S148-F150 PolarHBondContact O-N 3.05Å |
| 151 | Y | 96.3 | Very high | 97.4 | Very high | 47 Ų | 47 | 63.7 Ų | 63.7 | 18% | 0.184 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -89.2 | -5 | -177.9 | -69.4 | -58.6 | 0 | 0 | 0 | 114.6 | E92 F95 I96 L147 C153 | E92-Y151 WeakPolarHBondContact CA-OH 3.29Å; E92-Y151 HydrophobicContact CB-CE1 4.2Å; E92-Y151 HydrophobicContact CG-CD1 4.18Å; E92-Y151 HydrophobicContact CG-CE1 3.63Å; F95-Y151 HydrophobicContact CD1-CE2 4.22Å; F95-Y151 AromaticContact CD1-CZ 3.95Å; F95-Y151 WeakPolarHBondContact CD1-OH 3.35Å; F95-Y151 HydrophobicContact CE1-CE2 4.45Å; I96-Y151 HydrophobicContact CD1-CE2 4.29Å; I96-Y151 HydrophobicContact CG1-CE2 4.07Å; L147-Y151 HydrophobicContact CB-CD2 4.5Å; L147-Y151 HydrophobicContact CD2-CD2 4.41Å; L147-Y151 HydrophobicContact CD2-CE2 4.05Å; L147-Y151 PolarHBondContact O-N 3.33Å; Y151-C153 PolarHBondContact O-N 3.45Å |
| 152 | K | 97.3 | Very high | 97.3 | Very high | 167 Ų | 167 | 64.3 Ų | 64.3 | 73% | 0.726 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 31.1 | -177.6 | -48.4 | -58.2 | 179.9 | -167.4 | 0 | 112.9 | S148 H149 | S148-K152 VanDerWaalsContact O-CA 3.24Å; S148-K152 WeakPolarHBondContact O-CA 3.06Å; S148-K152 PolarHBondContact O-N 2.99Å; H149-K152 WeakPolarHBondContact O-CD 3.4Å; H149-K152 VanDerWaalsContact O-CE 3.22Å; H149-K152 WeakPolarHBondContact O-CE 3.5Å; H149-K152 PolarHBondContact O-NZ 2.86Å |
| 153 | C | 96.4 | Very high | 97.1 | Very high | 17 Ų | 17 | 67.3 Ų | 67.3 | 12% | 0.115 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -137 | 149.3 | -179.4 | 72.3 | 0 | 0 | 0 | 0 | 110.7 | N119 S148 Y151 V155 | N119-C153 WeakPolarHBondContact O-CB 3.5Å; N119-C153 WeakPolarHBondContact OD1-CB 3.36Å; S148-C153 VanDerWaalsContact CA-O 3.23Å; S148-C153 WeakPolarHBondContact CA-O 3.17Å; S148-C153 PolarHBondContact O-N 3.21Å; S148-C153 PolarHBondContact OG-O 3.4Å; Y151-C153 PolarHBondContact O-N 3.45Å; C153-V155 WeakPolarHBondContact O-CG2 3.49Å; C153-V155 PolarHBondContact O-N 2.94Å |
| 154 | P | 97.8 | Very high | 96.9 | Very high | 61 Ų | 61 | 75 Ų | 75 | 40% | 0.396 | 37% | 0.37 | S | S | . | . | trans | -65.4 | 120 | 176.5 | 25.5 | -32.8 | 0 | 0 | 0 | 110.7 | N119 V120 L121 | N119-P154 WeakPolarHBondContact O-CD 3.33Å; V120-P154 WeakPolarHBondContact CA-O 3.43Å; V120-P154 HydrophobicContact CB-CG 4.5Å; V120-P154 HydrophobicContact CG2-CG 3.94Å; L121-P154 PolarHBondContact N-O 2.79Å | ||
| 155 | V | 98.3 | Very high | 96.7 | Very high | 13 Ų | 13 | 76.8 Ų | 76.8 | 8% | 0.079 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 132 | 177.6 | -174.8 | 0 | 0 | 0 | 0 | 109.8 | L121 V123 L147 C153 | L121-V155 HydrophobicContact CB-CG2 4.17Å; L121-V155 HydrophobicContact CD2-CG1 4.02Å; L121-V155 HydrophobicContact CD2-CG2 3.91Å; L121-V155 HydrophobicContact CG-CG1 4.41Å; L121-V155 CarbonylContact O-C 3.57Å; L121-V155 WeakPolarHBondContact O-CA 3.46Å; V123-V155 HydrophobicContact CG2-CG1 4.5Å; L147-V155 HydrophobicContact CB-CB 4.2Å; L147-V155 HydrophobicContact CB-CG1 4.11Å; L147-V155 HydrophobicContact CB-CG2 3.82Å; L147-V155 HydrophobicContact CD1-CG1 4.19Å; C153-V155 WeakPolarHBondContact O-CG2 3.49Å; C153-V155 PolarHBondContact O-N 2.94Å |
| 156 | K | 97.8 | Very high | 96.4 | Very high | 105 Ų | 105 | 76.3 Ų | 76.3 | 46% | 0.457 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 129.1 | 175.8 | -172.1 | -175.5 | 179 | -154.9 | 0 | 110.2 | L121 V122 V123 E158 | L121-K156 PolarHBondContact O-N 3.03Å; V122-K156 CarbonylContact C-O 3.6Å; V122-K156 WeakPolarHBondContact CA-O 3.26Å; V123-K156 PolarHBondContact N-O 3Å; K156-E158 HydrophobicContact CD-CG 4.39Å; K156-E158 HydrophobicContact CG-CG 4.47Å; K156-E158 IonicContact NZ-OE1 2.82Å; K156-E158 PolarHBondContact NZ-OE1 2.78Å |
| 157 | L | 97.8 | Very high | 96.3 | Very high | 13 Ų | 13 | 76.9 Ų | 76.9 | 7% | 0.068 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 119 | 174.8 | -84.6 | 166.2 | 0 | 0 | 0 | 110.5 | M100 V123 I140 E144 | M100-L157 HydrophobicContact CE-CD2 3.6Å; M100-L157 HydrophobicContact SD-CD2 3.91Å; V123-L157 HydrophobicContact CB-CD2 3.58Å; V123-L157 HydrophobicContact CB-CG 4.43Å; V123-L157 HydrophobicContact CG1-CD2 3.6Å; V123-L157 WeakPolarHBondContact O-CA 3.34Å; I140-L157 HydrophobicContact CG2-CB 4.3Å; E144-L157 HydrophobicContact CG-CB 4.02Å; E144-L157 HydrophobicContact CG-CD1 4.01Å; E144-L157 HydrophobicContact CG-CG 4.15Å; E144-L157 PolarHBondContact OE1-N 3.26Å |
| 158 | E | 97.1 | Very high | 96.2 | Very high | 76 Ų | 76 | 82.9 Ų | 82.9 | 36% | 0.355 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 108.5 | 175.8 | -66.8 | -175.3 | 166.8 | 0 | 0 | 109.3 | V122 V123 C124 A125 K156 | V122-E158 HydrophobicContact CG1-CG 3.9Å; V123-E158 PolarHBondContact O-N 2.82Å; C124-E158 CarbonylContact C-O 3.55Å; C124-E158 VanDerWaalsContact CA-O 3.26Å; C124-E158 WeakPolarHBondContact CA-O 3.47Å; A125-E158 PolarHBondContact N-O 3.15Å; K156-E158 HydrophobicContact CD-CG 4.39Å; K156-E158 HydrophobicContact CG-CG 4.47Å; K156-E158 IonicContact NZ-OE1 2.82Å; K156-E158 PolarHBondContact NZ-OE1 2.78Å |
| 159 | I | 95.8 | Very high | 96.1 | Very high | 47 Ų | 47 | 84.9 Ų | 84.9 | 24% | 0.241 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 131 | -176.7 | -69.8 | 163.5 | 0 | 0 | 0 | 110.1 | A125 M127 I140 T161 | A125-I159 HydrophobicContact CB-CG1 4.48Å; A125-I159 WeakPolarHBondContact O-CA 3.02Å; M127-I159 HydrophobicContact CB-CG2 4.11Å; M127-I159 HydrophobicContact CG-CG1 4.47Å; M127-I159 HydrophobicContact CG-CG2 3.71Å; M127-I159 HydrophobicContact SD-CB 4.24Å; M127-I159 HydrophobicContact SD-CD1 3.6Å; M127-I159 VanDerWaalsContact SD-CD1 3.6Å; M127-I159 HydrophobicContact SD-CG1 3.7Å; M127-I159 HydrophobicContact SD-CG2 3.5Å; M127-I159 WeakPolarHBondContact SD-CG2 3.36Å; I140-I159 HydrophobicContact CD1-CD1 3.47Å; I140-I159 VanDerWaalsContact CD1-CD1 3.47Å; I140-I159 HydrophobicContact CG1-CD1 3.3Å; I159-T161 HydrophobicContact CG2-CG2 4.19Å |
| 160 | Q | 96.3 | Very high | 96 | Very high | 120 Ų | 120 | 85.5 Ų | 85.5 | 56% | 0.561 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 125.6 | 167.6 | 177.4 | -179.7 | 6 | 0 | 0 | 108.4 | A125 L126 M127 | A125-Q160 PolarHBondContact O-N 3.47Å; L126-Q160 WeakPolarHBondContact CA-O 3.23Å; L126-Q160 HydrophobicContact CD2-CB 3.7Å; L126-Q160 HydrophobicContact CD2-CG 4.02Å; L126-Q160 VanDerWaalsContact CD2-OE1 3.31Å; M127-Q160 PolarHBondContact N-O 2.86Å |
| 161 | T | 95.4 | Very high | 95.7 | Very high | 67 Ų | 67 | 80.6 Ų | 80.6 | 41% | 0.411 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 145.4 | 179.5 | 64.8 | 0 | 0 | 0 | 0 | 111.6 | M127 Q129 I159 | M127-T161 CarbonylContact O-C 3.44Å; M127-T161 VanDerWaalsContact O-CA 3.24Å; M127-T161 WeakPolarHBondContact O-CA 3.5Å; Q129-T161 HydrophobicContact CG-CG2 4.41Å; Q129-T161 PolarHBondContact NE2-OG1 3.38Å; I159-T161 HydrophobicContact CG2-CG2 4.19Å |
| 162 | L | 95.2 | Very high | 95.6 | Very high | 43 Ų | 43 | 82.3 Ų | 82.3 | 23% | 0.225 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 145.8 | 176.4 | -61.9 | 174.8 | 0 | 0 | 0 | 108.2 | A109 L126 M127 L128 Q129 E164 | A109-L162 HydrophobicContact CB-CD1 4.17Å; L126-L162 HydrophobicContact CB-CD1 4.24Å; L126-L162 HydrophobicContact CD1-CD1 4.39Å; M127-L162 PolarHBondContact O-N 3.06Å; L128-L162 WeakPolarHBondContact CA-O 3.48Å; Q129-L162 PolarHBondContact N-O 3.07Å; L162-E164 WeakPolarHBondContact CB-O 3.22Å |
| 163 | Q | 93.6 | Very high | 95.5 | Very high | 168 Ų | 168 | 77.8 Ų | 77.8 | 79% | 0.785 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -70.9 | -48.1 | 173.9 | -67.5 | 178 | -15 | 0 | 0 | 110.2 | ||
| 164 | E | 93.3 | Very high | 95.5 | Very high | 161 Ų | 161 | 81.2 Ų | 81.2 | 75% | 0.752 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -129.2 | 165.5 | -179.4 | -64.3 | -173.3 | 176.4 | 0 | 0 | 111.6 | L162 A166 | L162-E164 WeakPolarHBondContact CB-O 3.22Å; E164-A166 PolarHBondContact O-N 2.9Å |
| 165 | K | 93.6 | Very high | 95.3 | Very high | 92 Ų | 92 | 82.4 Ų | 82.4 | 40% | 0.4 | 40% | 0.396 | S | S | . | . | trans | -74.6 | 124.1 | 179.4 | -175.5 | 169.2 | 175 | 170.7 | 0 | 109.8 | T56 A109 L128 V167 | T56-K165 HydrophobicContact CG2-CD 4.22Å; T56-K165 HydrophobicContact CG2-CG 4.03Å; A109-K165 WeakPolarHBondContact O-CE 3.33Å; L128-K165 HydrophobicContact CD2-CB 4.48Å; K165-V167 WeakPolarHBondContact O-CG2 3.24Å; K165-V167 PolarHBondContact O-N 3.44Å; K165-V167 VanDerWaalsContact O-N 3.07Å | ||
| 166 | A | 93.4 | Very high | 95.2 | Very high | 55 Ų | 55 | 86.7 Ų | 86.7 | 46% | 0.455 | 42% | 0.416 | S | S | . | . | trans | -62.8 | 110.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E164 | E164-A166 PolarHBondContact O-N 2.9Š| ||
| 167 | V | 96.1 | Very high | 95 | Very high | 67 Ų | 67 | 85.5 Ų | 85.5 | 41% | 0.406 | 41% | 0.413 | S | S | . | . | trans | -89.7 | 130 | 178 | -173.6 | 0 | 0 | 0 | 0 | 109.8 | P54 K165 Y170 | P54-V167 HydrophobicContact CB-CG1 3.8Å; P54-V167 HydrophobicContact CB-CG2 3.85Å; K165-V167 WeakPolarHBondContact O-CG2 3.24Å; K165-V167 PolarHBondContact O-N 3.44Å; K165-V167 VanDerWaalsContact O-N 3.07Å; V167-Y170 HydrophobicContact CG1-CD2 4.26Å; V167-Y170 HydrophobicContact CG1-CE1 4.34Å; V167-Y170 HydrophobicContact CG1-CE2 3.74Å | ||
| 168 | Y | 96.1 | Very high | 94.8 | Very high | 126 Ų | 126 | 90.6 Ų | 90.6 | 49% | 0.494 | 44% | 0.438 | S | S | . | . | trans | -100.3 | -45.5 | 176.3 | 174.7 | -112.5 | 0 | 0 | 0 | 112.3 | L55 Y57 A60 | L55-Y168 PolarHBondContact O-N 3.38Å; Y57-Y168 HydrophobicContact CD2-CD1 4.33Å; Y57-Y168 AromaticContact CD2-CD2 3.9Å; Y57-Y168 HydrophobicContact CD2-CD2 3.9Å; Y57-Y168 HydrophobicContact CD2-CE1 4.33Å; Y57-Y168 AromaticContact CD2-CE2 3.91Å; Y57-Y168 HydrophobicContact CD2-CE2 3.91Å; Y57-Y168 HydrophobicContact CD2-CG 4.11Å; Y57-Y168 HydrophobicContact CE2-CE2 4.32Å; A60-Y168 HydrophobicContact CB-CD1 3.59Å; A60-Y168 HydrophobicContact CB-CE1 4.12Å | ||
| 169 | K | 94.9 | Very high | 94.6 | Very high | 81 Ų | 81 | 91.8 Ų | 91.8 | 35% | 0.352 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 158.7 | 177.9 | 72 | -177.8 | -167.4 | -166.7 | 0 | 111.3 | L55 A60 V171 | L55-K169 HydrophobicContact CB-CG 4.42Å; L55-K169 PolarHBondContact N-O 2.99Å; L55-K169 PolarHBondContact O-N 3.26Å; A60-K169 HydrophobicContact CB-CD 3.88Å; A60-K169 VanDerWaalsContact CB-CE 3.45Å; A60-K169 HydrophobicContact CB-CG 4Å; A60-K169 PolarHBondContact O-NZ 3.26Å; K169-V171 HydrophobicContact CD-CG2 4.16Å; K169-V171 HydrophobicContact CG-CG2 4.05Å |
| 170 | Y | 95.4 | Very high | 94.5 | Very high | 147 Ų | 147 | 95.5 Ų | 95.5 | 58% | 0.576 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 140.9 | 172.7 | -68.4 | -91.3 | 0 | 0 | 0 | 110.6 | G51 K53 P54 V167 | G51-Y170 VanDerWaalsContact O-CB 3.32Å; G51-Y170 WeakPolarHBondContact O-CB 3.28Å; K53-Y170 WeakPolarHBondContact O-CA 3.23Å; P54-Y170 HydrophobicContact CB-CD1 4.14Å; P54-Y170 HydrophobicContact CB-CE1 3.71Å; P54-Y170 HydrophobicContact CG-CE1 4.47Å; V167-Y170 HydrophobicContact CG1-CD2 4.26Å; V167-Y170 HydrophobicContact CG1-CE1 4.34Å; V167-Y170 HydrophobicContact CG1-CE2 3.74Å |
| 171 | V | 91 | Very high | 94.4 | Very high | 19 Ų | 19 | 93.3 Ų | 93.3 | 12% | 0.115 | 45% | 0.452 | C | S | . | . | trans | -139 | 0 | -172.5 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | I48 G49 G51 D52 K53 L55 K169 | I48-V171 VanDerWaalsContact CA-CG1 3.49Å; I48-V171 HydrophobicContact CB-CG1 4.05Å; I48-V171 HydrophobicContact CG1-CG1 3.88Å; I48-V171 HydrophobicContact CG2-CG1 4.21Å; G49-V171 WeakPolarHBondContact CA-OXT 3.26Å; G49-V171 PolarHBondContact N-OXT 3.06Å; G51-V171 CarbonylContact C-O 3.54Å; G51-V171 VanDerWaalsContact CA-C 3.43Å; G51-V171 WeakPolarHBondContact CA-O 3.38Å; G51-V171 PolarHBondContact N-O 3.48Å; G51-V171 PolarHBondContact N-OXT 3.09Å; D52-V171 PolarHBondContact N-O 3.01Å; K53-V171 VanDerWaalsContact CB-O 3.26Å; K53-V171 WeakPolarHBondContact CB-O 3.32Å; K53-V171 PolarHBondContact N-O 3.14Å; K53-V171 PolarHBondContact O-N 2.75Å; K53-V171 VanDerWaalsContact O-N 3.09Å; L55-V171 HydrophobicContact CD1-CB 3.85Å; L55-V171 HydrophobicContact CD1-CG1 4.44Å; L55-V171 HydrophobicContact CD1-CG2 3.52Å; L55-V171 HydrophobicContact CG-CB 4.36Å; L55-V171 HydrophobicContact CG-CG2 4.26Å; K169-V171 HydrophobicContact CD-CG2 4.16Å; K169-V171 HydrophobicContact CG-CG2 4.05Å |
Retrieved 171 of 171 residues in 102.5 ms
(Link to these results)