| 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 | 28.5 | Very low | 29.7 | Very low | 208 Ų | 208 | 157.7 Ų | 157.7 | 100% | 1.025 | 79% | 0.785 | S | S | * | * | 0 | 91.4 | 0 | -163.2 | 172.5 | -171.1 | 0 | 0 | 108 | T3 | M1-T3 PolarHBondContact O-N 2.94Š| |||
| 2 | L | 22.1 | Very low | 29.6 | Very low | 107 Ų | 107 | 164.5 Ų | 164.5 | 56% | 0.56 | 80% | 0.795 | S | S | * | * | trans | -91.1 | 93.2 | 167.6 | -105.5 | 97 | 0 | 0 | 0 | 107.3 | F4 | L2-F4 HydrophobicContact CD2-CE2 4.04Å; L2-F4 HydrophobicContact CD2-CZ 4.25Å; L2-F4 PolarHBondContact O-N 3.34Å | ||
| 3 | T | 26.4 | Very low | 29.5 | Very low | 89 Ų | 89 | 166.9 Ų | 166.9 | 55% | 0.546 | 80% | 0.804 | S | S | . | * | trans | -81.2 | 106.2 | 167.1 | -50.4 | 0 | 0 | 0 | 0 | 107.1 | M1 F5 | M1-T3 PolarHBondContact O-N 2.94Å; T3-F5 HydrophobicContact CG2-CD2 4.36Å; T3-F5 HydrophobicContact CG2-CE2 4.4Å; T3-F5 PolarHBondContact O-N 2.84Å; T3-F5 VanDerWaalsContact O-N 3.08Å | ||
| 4 | F | 28.4 | Very low | 29.6 | Very low | 164 Ų | 164 | 166.5 Ų | 166.5 | 72% | 0.719 | 81% | 0.807 | S | S | * | * | trans | -70 | 102.4 | 168.4 | -85 | -86.6 | 0 | 0 | 0 | 108.6 | L2 F6 | L2-F4 HydrophobicContact CD2-CE2 4.04Å; L2-F4 HydrophobicContact CD2-CZ 4.25Å; L2-F4 PolarHBondContact O-N 3.34Å; F4-F6 PolarHBondContact O-N 3.3Å | ||
| 5 | F | 26.7 | Very low | 29.6 | Very low | 180 Ų | 180 | 163.5 Ų | 163.5 | 79% | 0.789 | 81% | 0.806 | S | S | * | * | trans | -71.5 | 108.3 | 163.9 | -94 | -92.9 | 0 | 0 | 0 | 108.3 | T3 | T3-F5 HydrophobicContact CG2-CD2 4.36Å; T3-F5 HydrophobicContact CG2-CE2 4.4Å; T3-F5 PolarHBondContact O-N 2.84Å; T3-F5 VanDerWaalsContact O-N 3.08Å | ||
| 6 | F | 31 | Very low | 29.5 | Very low | 192 Ų | 192 | 163.7 Ų | 163.7 | 84% | 0.842 | 81% | 0.81 | S | S | * | * | trans | -84.6 | 109.8 | 157.6 | -94 | -86.9 | 0 | 0 | 0 | 108.2 | F4 | F4-F6 PolarHBondContact O-N 3.3Š| ||
| 7 | T | 27.8 | Very low | 29.8 | Very low | 129 Ų | 129 | 162.1 Ų | 162.1 | 79% | 0.791 | 82% | 0.816 | S | S | * | * | trans | -61 | 132.9 | 173.7 | 32.8 | 0 | 0 | 0 | 0 | 111.6 | H9 | T7-H9 PolarHBondContact O-N 3.35Š| ||
| 8 | K | 38 | Very low | 30 | Very low | 192 Ų | 192 | 157.1 Ų | 157.1 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -54.7 | 119 | 165.9 | -96.1 | -179.4 | 169.8 | 179.1 | 0 | 110.7 | ||
| 9 | H | 32.3 | Very low | 29.9 | Very low | 189 Ų | 189 | 154 Ų | 154 | 88% | 0.875 | 81% | 0.812 | S | S | * | * | trans | 150.6 | 130.8 | 130.5 | -91.4 | -76.2 | 0 | 0 | 0 | 111 | T7 | T7-H9 PolarHBondContact O-N 3.35Š| ||
| 10 | G | 27.3 | Very low | 30.2 | Very low | 69 Ų | 69 | 159.4 Ų | 159.4 | 71% | 0.711 | 82% | 0.821 | S | S | * | * | trans | 127.4 | 98.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 113 | R12 | G10-R12 PolarHBondContact O-N 3.04Š| ||
| 11 | K | 38.7 | Very low | 30.1 | Very low | 216 Ų | 216 | 154.4 Ų | 154.4 | 94% | 0.939 | 81% | 0.809 | S | S | * | * | trans | -38.4 | 119.6 | 167.5 | -71.9 | 173.7 | 171.9 | 179 | 0 | 111.2 | ||||
| 12 | R | 27.6 | Very low | 30.3 | Very low | 239 Ų | 239 | 151.5 Ų | 151.5 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -141.7 | 129.9 | 148.9 | -69 | -167.9 | -166 | -177.7 | 4.9 | 108.2 | G10 | G10-R12 PolarHBondContact O-N 3.04Š| ||
| 13 | E | 29 | Very low | 30.7 | Very low | 196 Ų | 196 | 155.4 Ų | 155.4 | 92% | 0.916 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 133.6 | 177 | -66.6 | 169.7 | 151.1 | 0 | 0 | 110 | ||
| 14 | L | 30.3 | Very low | 30.9 | Very low | 161 Ų | 161 | 154.2 Ų | 154.2 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 138.2 | 170.9 | -72.4 | 161.3 | 0 | 0 | 0 | 108.4 | L16 | L14-L16 PolarHBondContact O-N 3.25Š|
| 15 | P | 29.4 | Very low | 31.2 | Very low | 122 Ų | 122 | 148.7 Ų | 148.7 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 122.7 | 174.1 | 27.9 | -30.3 | 0 | 0 | 0 | 108.8 | ||
| 16 | L | 29.1 | Very low | 31.6 | Very low | 166 Ų | 166 | 143.4 Ų | 143.4 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 139.7 | 168.1 | -85.6 | 146.9 | 0 | 0 | 0 | 110 | L14 G18 | L14-L16 PolarHBondContact O-N 3.25Å; L16-G18 PolarHBondContact O-N 3.34Å |
| 17 | C | 33.2 | Very low | 31.6 | Very low | 136 Ų | 136 | 141.2 Ų | 141.2 | 92% | 0.919 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -58.2 | 95.3 | 176.4 | -159.1 | 0 | 0 | 0 | 0 | 109.4 | ||
| 18 | G | 33.7 | Very low | 32.2 | Very low | 73 Ų | 73 | 140.3 Ų | 140.3 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | trans | 166.8 | 50.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L16 | L16-G18 PolarHBondContact O-N 3.34Š| ||
| 19 | A | 28.8 | Very low | 32.2 | Very low | 98 Ų | 98 | 137.7 Ų | 137.7 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | trans | -151.7 | 112.3 | 162 | 0 | 0 | 0 | 0 | 0 | 110.1 | G21 | A19-G21 VanDerWaalsContact C-N 3.28Å; A19-G21 PolarHBondContact O-N 3.43Å | ||
| 20 | R | 34.8 | Very low | 32.4 | Very low | 261 Ų | 261 | 134.8 Ų | 134.8 | 99% | 0.985 | 74% | 0.743 | S | S | * | * | trans | -67.7 | 87.5 | 167.5 | -75.7 | -179.2 | 178.7 | -176.9 | -0.5 | 108.6 | ||||
| 21 | G | 28.9 | Very low | 32.8 | Very low | 56 Ų | 56 | 137.2 Ų | 137.2 | 58% | 0.577 | 74% | 0.739 | S | S | * | * | trans | -104.1 | 107.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109 | A19 F23 | A19-G21 VanDerWaalsContact C-N 3.28Å; A19-G21 PolarHBondContact O-N 3.43Å; G21-F23 VanDerWaalsContact C-N 3.32Å; G21-F23 PolarHBondContact O-N 3.4Å | ||
| 22 | V | 32.4 | Very low | 33 | Very low | 147 Ų | 147 | 133 Ų | 133 | 89% | 0.891 | 72% | 0.723 | S | S | * | * | trans | -70.6 | 90.2 | 172.9 | -179.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 23 | F | 30.5 | Very low | 33.5 | Very low | 188 Ų | 188 | 126.8 Ų | 126.8 | 83% | 0.825 | 71% | 0.707 | S | S | * | * | trans | -84.2 | 112.9 | 162 | -90.1 | -87 | 0 | 0 | 0 | 107.8 | G21 G25 | G21-F23 VanDerWaalsContact C-N 3.32Å; G21-F23 PolarHBondContact O-N 3.4Å; F23-G25 PolarHBondContact O-N 3.08Å | ||
| 24 | S | 30.9 | Very low | 34 | Very low | 64 Ų | 64 | 121.6 Ų | 121.6 | 45% | 0.448 | 68% | 0.683 | S | S | . | * | trans | -61.9 | 115.2 | 175.6 | 57.5 | 0 | 0 | 0 | 0 | 109.7 | S26 K27 | S24-S26 PolarHBondContact O-N 3.33Å; S24-K27 PolarHBondContact O-N 3.3Å | ||
| 25 | G | 34.8 | Very low | 34.4 | Very low | 48 Ų | 48 | 116.1 Ų | 116.1 | 50% | 0.495 | 66% | 0.658 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -57.3 | -13.1 | 179 | 0 | 0 | 0 | 0 | 0 | 115.2 | F23 K27 E29 | F23-G25 PolarHBondContact O-N 3.08Å; G25-K27 PolarHBondContact O-N 3.47Å; G25-E29 PolarHBondContact O-N 2.84Å |
| 26 | S | 35.9 | Very low | 35 | Very low | 69 Ų | 69 | 115.7 Ų | 115.7 | 48% | 0.483 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -64.5 | -36.6 | 178.5 | 50.1 | 0 | 0 | 0 | 0 | 114.3 | S24 E30 | S24-S26 PolarHBondContact O-N 3.33Å; S26-E30 PolarHBondContact O-N 3.33Å |
| 27 | K | 29.7 | Very low | 35.4 | Very low | 146 Ų | 146 | 116 Ų | 116 | 64% | 0.635 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -73.6 | -31.5 | -177.7 | -87.2 | -176.7 | 173.8 | -179.9 | 0 | 113.4 | S24 G25 D31 | S24-K27 PolarHBondContact O-N 3.3Å; G25-K27 PolarHBondContact O-N 3.47Å; K27-D31 PolarHBondContact O-N 3.14Å |
| 28 | I | 40.8 | Very low | 35.7 | Very low | 111 Ų | 111 | 119.5 Ų | 119.5 | 57% | 0.569 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -78.5 | -31.6 | -179.4 | -59.9 | 173.5 | 0 | 0 | 0 | 110.6 | H32 | I28-H32 PolarHBondContact O-N 2.84Å |
| 29 | E | 38.3 | Very low | 36 | Very low | 137 Ų | 137 | 123.5 Ų | 123.5 | 64% | 0.64 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -66.9 | -41.4 | 170.4 | -82.3 | -178.3 | 140.2 | 0 | 0 | 112.4 | G25 H32 L33 | G25-E29 PolarHBondContact O-N 2.84Å; E29-H32 PolarHBondContact O-N 2.77Å; E29-L33 WeakPolarHBondContact O-CD1 3.37Å; E29-L33 PolarHBondContact O-N 2.81Å |
| 30 | E | 36.8 | Very low | 36.3 | Very low | 128 Ų | 128 | 124.6 Ų | 124.6 | 60% | 0.598 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -62.1 | -47.1 | 176.1 | -106.5 | 178.8 | 158 | 0 | 0 | 112.2 | S26 H32 L33 E34 | S26-E30 PolarHBondContact O-N 3.33Å; E30-H32 VanDerWaalsContact C-N 3.26Å; E30-H32 PolarHBondContact O-N 2.86Å; E30-L33 PolarHBondContact O-N 3.04Å; E30-E34 WeakPolarHBondContact O-CB 3.39Å; E30-E34 PolarHBondContact O-N 3.33Å |
| 31 | D | 35.8 | Very low | 36.2 | Very low | 119 Ų | 119 | 117.6 Ų | 117.6 | 64% | 0.636 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -63.3 | -30.7 | 179.7 | -77.9 | -23.3 | 0 | 0 | 0 | 112.6 | K27 S35 | K27-D31 PolarHBondContact O-N 3.14Å; D31-S35 WeakPolarHBondContact O-CB 3.5Å; D31-S35 PolarHBondContact O-N 2.94Å; D31-S35 VanDerWaalsContact O-N 3.13Å |
| 32 | H | 42.3 | Very low | 36.6 | Very low | 127 Ų | 127 | 127.3 Ų | 127.3 | 59% | 0.588 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -76 | -37.6 | 175 | -117.1 | 112.1 | 0 | 0 | 0 | 112.7 | I28 E29 E30 E34 S35 L36 | I28-H32 PolarHBondContact O-N 2.84Å; E29-H32 PolarHBondContact O-N 2.77Å; E30-H32 VanDerWaalsContact C-N 3.26Å; E30-H32 PolarHBondContact O-N 2.86Å; H32-E34 VanDerWaalsContact C-N 3.34Å; H32-S35 WeakPolarHBondContact O-CB 3.38Å; H32-S35 PolarHBondContact O-N 3.04Å; H32-L36 PolarHBondContact O-N 3.33Å |
| 33 | L | 39.2 | Very low | 36.8 | Very low | 110 Ų | 110 | 123.6 Ų | 123.6 | 58% | 0.576 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65.8 | -36.2 | 172.1 | -99.8 | 106.8 | 0 | 0 | 0 | 112 | E29 E30 L36 R37 | E29-L33 WeakPolarHBondContact O-CD1 3.37Å; E29-L33 PolarHBondContact O-N 2.81Å; E30-L33 PolarHBondContact O-N 3.04Å; L33-L36 WeakPolarHBondContact O-CB 3.48Å; L33-L36 PolarHBondContact O-N 3.13Å; L33-R37 PolarHBondContact O-N 2.9Å |
| 34 | E | 38.5 | Very low | 37.1 | Very low | 86 Ų | 86 | 122 Ų | 122 | 40% | 0.402 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66 | -38.7 | 174.9 | -151.2 | 86 | -128.5 | 0 | 0 | 111.2 | E30 H32 R37 R38 | E30-E34 WeakPolarHBondContact O-CB 3.39Å; E30-E34 PolarHBondContact O-N 3.33Å; H32-E34 VanDerWaalsContact C-N 3.34Å; E34-R37 PolarHBondContact O-N 3.16Å; E34-R38 WeakPolarHBondContact O-CG 3.49Å; E34-R38 PolarHBondContact O-N 3.04Å; E34-R38 VanDerWaalsContact O-N 3.08Å |
| 35 | S | 39.1 | Very low | 37.2 | Very low | 46 Ų | 46 | 128 Ų | 128 | 32% | 0.322 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -64.9 | -38.2 | 173.3 | -179.1 | 0 | 0 | 0 | 0 | 112.6 | D31 H32 R38 R39 | D31-S35 WeakPolarHBondContact O-CB 3.5Å; D31-S35 PolarHBondContact O-N 2.94Å; D31-S35 VanDerWaalsContact O-N 3.13Å; H32-S35 WeakPolarHBondContact O-CB 3.38Å; H32-S35 PolarHBondContact O-N 3.04Å; S35-R38 PolarHBondContact O-N 3.36Å; S35-R39 WeakPolarHBondContact O-CG 3.48Å |
| 36 | L | 41 | Very low | 37.4 | Very low | 113 Ų | 113 | 131.3 Ų | 131.3 | 59% | 0.592 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -65.8 | -40.3 | 172 | -90.4 | 148 | 0 | 0 | 0 | 112.4 | H32 L33 R38 R39 | H32-L36 PolarHBondContact O-N 3.33Å; L33-L36 WeakPolarHBondContact O-CB 3.48Å; L33-L36 PolarHBondContact O-N 3.13Å; L36-R38 VanDerWaalsContact C-N 3.31Å; L36-R38 PolarHBondContact O-N 3.45Å; L36-R39 PolarHBondContact O-N 2.9Å |
| 37 | R | 37.6 | Very low | 36.9 | Very low | 174 Ų | 174 | 134.6 Ų | 134.6 | 66% | 0.657 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -62.3 | -35.9 | 173.8 | -82.3 | -179.5 | 174.3 | 168.3 | 0.4 | 112.9 | L33 E34 R39 | L33-R37 PolarHBondContact O-N 2.9Å; E34-R37 PolarHBondContact O-N 3.16Å; R37-R39 PolarHBondContact O-N 3.19Å |
| 38 | R | 39.3 | Very low | 37.2 | Very low | 208 Ų | 208 | 139.9 Ų | 139.9 | 79% | 0.785 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -12.2 | 178.5 | -72.3 | 177.4 | -174.9 | -168.6 | 3.8 | 114.3 | E34 S35 L36 | E34-R38 WeakPolarHBondContact O-CG 3.49Å; E34-R38 PolarHBondContact O-N 3.04Å; E34-R38 VanDerWaalsContact O-N 3.08Å; S35-R38 PolarHBondContact O-N 3.36Å; L36-R38 VanDerWaalsContact C-N 3.31Å; L36-R38 PolarHBondContact O-N 3.45Å |
| 39 | R | 41.3 | Very low | 36.7 | Very low | 157 Ų | 157 | 138.8 Ų | 138.8 | 59% | 0.592 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -2.4 | 179.5 | -71.6 | 178.4 | -177.6 | -172.5 | 2.1 | 114.3 | S35 L36 R37 | S35-R39 WeakPolarHBondContact O-CG 3.48Å; L36-R39 PolarHBondContact O-N 2.9Å; R37-R39 PolarHBondContact O-N 3.19Å |
| 40 | L | 34.1 | Very low | 36.7 | Very low | 121 Ų | 121 | 137.9 Ų | 137.9 | 63% | 0.634 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -81.1 | 137.3 | 168.6 | -73.2 | 162.1 | 0 | 0 | 0 | 109.4 | R42 | L40-R42 PolarHBondContact O-N 3.43Š|
| 41 | P | 32.2 | Very low | 36.7 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 75% | 0.747 | 70% | 0.698 | S | S | * | * | trans | -57 | 132.7 | -179.9 | 20.5 | -29.8 | 0 | 0 | 0 | 110.8 | G43 | P41-G43 VanDerWaalsContact C-N 3.31Å; P41-G43 PolarHBondContact O-N 3.19Å | ||
| 42 | R | 38.8 | Very low | 36.6 | Very low | 260 Ų | 260 | 137.4 Ų | 137.4 | 98% | 0.981 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | 87.7 | 178.3 | -67.5 | -176.1 | -174.2 | -174.6 | 1.8 | 109.4 | L40 | L40-R42 PolarHBondContact O-N 3.43Š|
| 43 | G | 37.1 | Very low | 36.4 | Very low | 68 Ų | 68 | 136.6 Ų | 136.6 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -175.3 | 10.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | P41 | P41-G43 VanDerWaalsContact C-N 3.31Å; P41-G43 PolarHBondContact O-N 3.19Å |
| 44 | L | 36.8 | Very low | 36.6 | Very low | 155 Ų | 155 | 137.7 Ų | 137.7 | 81% | 0.812 | 72% | 0.724 | S | S | * | * | trans | -133.5 | 55.9 | 178.4 | -132.5 | 87 | 0 | 0 | 0 | 110.9 | ||||
| 45 | M | 32.7 | Very low | 37.1 | Very low | 190 Ų | 190 | 139 Ų | 139 | 94% | 0.936 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -106.7 | 124.1 | 159.9 | -97.1 | -165.2 | 162.9 | 0 | 0 | 107.9 | ||
| 46 | S | 38.7 | Very low | 37.9 | Very low | 117 Ų | 117 | 140.9 Ų | 140.9 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | trans | 81.3 | 76.7 | -175.1 | -162.9 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 47 | L | 25.4 | Very low | 39 | Very low | 138 Ų | 138 | 141.3 Ų | 141.3 | 72% | 0.723 | 75% | 0.749 | S | S | * | * | trans | -146.7 | 100.5 | 144 | -108.4 | 143.6 | 0 | 0 | 0 | 107.2 | V49 | L47-V49 VanDerWaalsContact C-N 3.25Å; L47-V49 HydrophobicContact CB-CG2 4.05Å; L47-V49 HydrophobicContact CD2-CG2 3.62Å; L47-V49 HydrophobicContact CG-CG2 4.45Å; L47-V49 PolarHBondContact O-N 3.03Å | ||
| 48 | R | 35.1 | Very low | 40.8 | Very low | 258 Ų | 258 | 134.7 Ų | 134.7 | 97% | 0.974 | 73% | 0.728 | S | S | * | * | trans | -61 | 97 | 158.5 | -88 | -177.9 | 173.3 | 178.1 | -1.7 | 106 | ||||
| 49 | V | 31.9 | Very low | 42.7 | Very low | 88 Ų | 88 | 131.3 Ų | 131.3 | 53% | 0.533 | 72% | 0.715 | S | S | . | * | trans | -113.5 | 107.2 | 167.7 | 178.9 | 0 | 0 | 0 | 0 | 106.6 | L47 G51 | L47-V49 VanDerWaalsContact C-N 3.25Å; L47-V49 HydrophobicContact CB-CG2 4.05Å; L47-V49 HydrophobicContact CD2-CG2 3.62Å; L47-V49 HydrophobicContact CG-CG2 4.45Å; L47-V49 PolarHBondContact O-N 3.03Å; V49-G51 PolarHBondContact O-N 3.22Å | ||
| 50 | S | 36.4 | Very low | 44.4 | Very low | 117 Ų | 117 | 135.5 Ų | 135.5 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.2 | 119.4 | 163.2 | 44 | 0 | 0 | 0 | 0 | 110.2 | ||
| 51 | G | 37.9 | Very low | 46.7 | Very low | 80 Ų | 80 | 132.7 Ų | 132.7 | 83% | 0.825 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 90.6 | 26.9 | 149.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | V49 | V49-G51 PolarHBondContact O-N 3.22Š|
| 52 | M | 33.4 | Very low | 49.4 | Very low | 157 Ų | 157 | 127.8 Ų | 127.8 | 77% | 0.773 | 68% | 0.683 | S | S | * | * | trans | -130.3 | 122.9 | 169.7 | -64.1 | -176.5 | 76.9 | 0 | 0 | 111.5 | V54 | M52-V54 PolarHBondContact O-N 2.98Š| ||
| 53 | S | 37.3 | Very low | 51.8 | Low | 110 Ų | 110 | 118.5 Ų | 118.5 | 77% | 0.769 | 66% | 0.655 | S | S | * | * | trans | -59.8 | 123.3 | 179 | 53 | 0 | 0 | 0 | 0 | 111.1 | F55 | S53-F55 PolarHBondContact O-N 2.88Š| ||
| 54 | V | 44.6 | Very low | 54.2 | Low | 133 Ų | 133 | 115.5 Ų | 115.5 | 81% | 0.806 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -70.9 | 3.3 | -174.2 | -179.9 | 0 | 0 | 0 | 0 | 113.7 | M52 | M52-V54 PolarHBondContact O-N 2.98Š|
| 55 | F | 48.5 | Very low | 56.4 | Low | 113 Ų | 113 | 111.6 Ų | 111.6 | 50% | 0.496 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -108.8 | 144.3 | -176.5 | -65.1 | -70.4 | 0 | 0 | 0 | 111.9 | S53 | S53-F55 PolarHBondContact O-N 2.88Š|
| 56 | P | 55 | Low | 58.8 | Low | 86 Ų | 86 | 110.1 Ų | 110.1 | 56% | 0.558 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 145.9 | 174.2 | 21.4 | -29.8 | 0 | 0 | 0 | 110.4 | ||
| 57 | P | 65.6 | Low | 60.8 | Low | 122 Ų | 122 | 105 Ų | 105 | 79% | 0.792 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 147.6 | -173.6 | 21.5 | -31.5 | 0 | 0 | 0 | 111.8 | R59 | P57-R59 PolarHBondContact O-N 2.9Š|
| 58 | V | 75.3 | Confident | 63.5 | Low | 35 Ų | 35 | 99.6 Ų | 99.6 | 21% | 0.212 | 54% | 0.54 | C | S | . | . | P | Polyproline II helix | trans | -56.3 | 136.9 | 173.5 | 179.2 | 0 | 0 | 0 | 0 | 108.7 | R60 R62 R144 E146 | V58-R60 PolarHBondContact O-N 2.9Å; V58-R62 HydrophobicContact CG1-CB 3.94Å; V58-R144 HydrophobicContact CG2-CB 4.4Å; V58-E146 HydrophobicContact CG1-CB 4.17Å; V58-E146 HydrophobicContact CG2-CB 4.48Å |
| 59 | R | 78.8 | Confident | 65.7 | Low | 138 Ų | 138 | 94.3 Ų | 94.3 | 52% | 0.521 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 137.3 | 176.6 | -59.9 | 172.8 | 58.8 | 147.6 | 2.8 | 108.9 | P57 D61 R62 | P57-R59 PolarHBondContact O-N 2.9Å; R59-D61 WeakPolarHBondContact CB-OD1 3.46Å; R59-D61 IonicContact CZ-OD1 2.86Å; R59-D61 IonicContact NE-OD1 2.68Å; R59-D61 PolarHBondContact NE-OD1 2.68Å; R59-D61 VanDerWaalsContact NE-OD1 3.16Å; R59-D61 IonicContact NH2-OD1 3.9Å; R59-D61 IonicContact NH2-OD2 3.01Å; R59-D61 PolarHBondContact O-N 2.95Å; R59-R62 HydrophobicContact CB-CG 4.12Å; R59-R62 WeakPolarHBondContact O-CB 3.09Å; R59-R62 PolarHBondContact O-N 3.35Å |
| 60 | R | 76.4 | Confident | 67.7 | Low | 245 Ų | 245 | 91.3 Ų | 91.3 | 93% | 0.925 | 51% | 0.511 | S | S | * | . | G | 310 helix | trans | -57 | -27 | -178.4 | -65.5 | -177.7 | -177 | 169.3 | 0.5 | 112.9 | V58 R62 | V58-R60 PolarHBondContact O-N 2.9Å; R60-R62 PolarHBondContact O-N 3.46Å |
| 61 | D | 83.8 | Confident | 69.4 | Low | 61 Ų | 61 | 87.8 Ų | 87.8 | 33% | 0.326 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -85.6 | 19.7 | 176.5 | 71.8 | -49.4 | 0 | 0 | 0 | 113.9 | R59 F261 | R59-D61 WeakPolarHBondContact CB-OD1 3.46Å; R59-D61 IonicContact CZ-OD1 2.86Å; R59-D61 IonicContact NE-OD1 2.68Å; R59-D61 PolarHBondContact NE-OD1 2.68Å; R59-D61 VanDerWaalsContact NE-OD1 3.16Å; R59-D61 IonicContact NH2-OD1 3.9Å; R59-D61 IonicContact NH2-OD2 3.01Å; R59-D61 PolarHBondContact O-N 2.95Å; D61-F261 VanDerWaalsContact O-CZ 3.24Å; D61-F261 WeakPolarHBondContact O-CZ 3.28Å |
| 62 | R | 88.4 | Confident | 71 | Confident | 13 Ų | 13 | 88.5 Ų | 88.5 | 5% | 0.049 | 46% | 0.459 | C | S | . | . | G | 310 helix | trans | -130.7 | 26.7 | 177.8 | -63.2 | -68.1 | -177.6 | -89.5 | 0.9 | 112.9 | V58 R59 R60 F123 E143 R144 F145 E146 | V58-R62 HydrophobicContact CG1-CB 3.94Å; R59-R62 HydrophobicContact CB-CG 4.12Å; R59-R62 WeakPolarHBondContact O-CB 3.09Å; R59-R62 PolarHBondContact O-N 3.35Å; R60-R62 PolarHBondContact O-N 3.46Å; R62-F123 PolarHBondContact NH2-O 3.36Å; R62-E143 IonicContact CZ-OE1 3.96Å; R62-E143 IonicContact NE-OE1 3.4Å; R62-E143 PolarHBondContact NE-OE1 3.45Å; R62-E143 IonicContact NH2-OE1 3.93Å; R62-R144 WeakPolarHBondContact CB-O 3.39Å; R62-F145 HydrophobicContact CB-CD1 4.26Å; R62-F145 VanDerWaalsContact O-CA 3.32Å; R62-F145 WeakPolarHBondContact O-CA 3.37Å; R62-E146 PolarHBondContact O-N 3.49Å |
| 63 | V | 88.6 | Confident | 72.5 | Confident | 65 Ų | 65 | 88 Ų | 88 | 39% | 0.394 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 129.6 | 176.3 | -176.3 | 0 | 0 | 0 | 0 | 110 | E146 | V63-E146 CarbonylContact C-O 3.54Å; V63-E146 WeakPolarHBondContact CA-O 3.33Å; V63-E146 HydrophobicContact CG2-CB 4.3Å |
| 64 | I | 87.9 | Confident | 73.7 | Confident | 4 Ų | 4 | 88.8 Ų | 88.8 | 2% | 0.021 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 98.5 | -179.6 | -54.9 | -176.7 | 0 | 0 | 0 | 108.4 | Q66 P68 F83 F145 E146 V147 L148 F261 A264 A265 | I64-Q66 WeakPolarHBondContact CG2-O 3.4Å; I64-P68 HydrophobicContact CG2-CG 4.22Å; I64-F83 HydrophobicContact CG2-CE2 4.36Å; I64-F83 HydrophobicContact CG2-CZ 4.05Å; I64-F145 HydrophobicContact CD1-CD1 3.86Å; I64-F145 HydrophobicContact CD1-CE1 4.29Å; I64-F145 HydrophobicContact CG1-CD1 4.38Å; I64-E146 PolarHBondContact N-O 3.35Å; I64-V147 HydrophobicContact CB-CB 4.5Å; I64-V147 HydrophobicContact CB-CG1 4.25Å; I64-V147 HydrophobicContact CB-CG2 4.22Å; I64-V147 HydrophobicContact CD1-CG2 4.19Å; I64-V147 HydrophobicContact CG1-CG2 4.49Å; I64-V147 HydrophobicContact CG2-CG1 4.29Å; I64-V147 WeakPolarHBondContact O-CA 3.46Å; I64-L148 PolarHBondContact O-N 3.04Å; I64-F261 HydrophobicContact CD1-CB 4.34Å; I64-F261 HydrophobicContact CD1-CD1 3.94Å; I64-F261 HydrophobicContact CD1-CG 4.22Å; I64-F261 WeakPolarHBondContact CD1-O 3.13Å; I64-F261 HydrophobicContact CG1-CD1 3.72Å; I64-F261 HydrophobicContact CG1-CE1 3.93Å; I64-F261 HydrophobicContact CG1-CG 4.47Å; I64-A264 HydrophobicContact CD1-CB 3.93Å; I64-A265 HydrophobicContact CD1-CB 4.46Å; I64-A265 HydrophobicContact CG2-CB 4.2Å |
| 65 | A | 83 | Confident | 74.5 | Confident | 73 Ų | 73 | 82.9 Ų | 82.9 | 60% | 0.603 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -92.5 | -22 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L148 | A65-L148 WeakPolarHBondContact O-CD2 3.47Š|
| 66 | Q | 83.7 | Confident | 75.2 | Confident | 160 Ų | 160 | 78.2 Ų | 78.2 | 75% | 0.748 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -134.3 | 153.3 | -179.1 | -62.3 | 178.5 | 17.8 | 0 | 0 | 109 | I64 P68 | I64-Q66 WeakPolarHBondContact CG2-O 3.4Å; Q66-P68 VanDerWaalsContact O-CD 3.28Å; Q66-P68 WeakPolarHBondContact O-CD 3.45Å |
| 67 | L | 80.6 | Confident | 75.5 | Confident | 10 Ų | 10 | 78.1 Ų | 78.1 | 5% | 0.052 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -68 | 119.5 | -179.2 | -176.5 | 62.5 | 0 | 0 | 0 | 108.7 | T80 F83 A265 L266 | L67-T80 WeakPolarHBondContact CD2-O 3.2Å; L67-F83 HydrophobicContact CB-CD2 4.15Å; L67-F83 HydrophobicContact CB-CE2 4.16Å; L67-F83 HydrophobicContact CB-CG 4.4Å; L67-F83 HydrophobicContact CB-CZ 4.41Å; L67-F83 HydrophobicContact CD1-CD1 4.22Å; L67-F83 HydrophobicContact CD1-CE1 3.88Å; L67-F83 HydrophobicContact CD1-CZ 4.17Å; L67-A265 HydrophobicContact CD1-CB 3.64Å; L67-L266 HydrophobicContact CD1-CD2 4.06Å |
| 68 | P | 81.4 | Confident | 75.2 | Confident | 23 Ų | 23 | 76 Ų | 76 | 15% | 0.149 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 142.9 | 178.8 | -24.5 | 36.6 | 0 | 0 | 0 | 110.6 | I64 Q66 F261 R262 A265 | I64-P68 HydrophobicContact CG2-CG 4.22Å; Q66-P68 VanDerWaalsContact O-CD 3.28Å; Q66-P68 WeakPolarHBondContact O-CD 3.45Å; P68-F261 HydrophobicContact CB-CB 4.36Å; P68-F261 HydrophobicContact CG-CB 3.9Å; P68-R262 HydrophobicContact CB-CB 4.29Å; P68-R262 WeakPolarHBondContact O-CD 3.33Å; P68-R262 PolarHBondContact O-NH1 3.13Å; P68-A265 VanDerWaalsContact CD-CB 3.46Å; P68-A265 HydrophobicContact CG-CB 4.21Å |
| 69 | Q | 80.7 | Confident | 74.6 | Confident | 148 Ų | 148 | 80.2 Ų | 80.2 | 69% | 0.692 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -68.5 | 148.3 | 178.8 | -66.7 | -173.2 | -3 | 0 | 0 | 111 | W246 | Q69-W246 WeakPolarHBondContact O-CH2 3.29Å; Q69-W246 WeakPolarHBondContact O-CZ2 3.38Å |
| 70 | A | 75 | Confident | 74 | Confident | 25 Ų | 25 | 77.6 Ų | 77.6 | 21% | 0.207 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 158.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | R72 A76 | A70-R72 VanDerWaalsContact C-N 3.31Å; A70-R72 PolarHBondContact O-N 3.44Å; A70-A76 HydrophobicContact CB-CB 3.35Å |
| 71 | F | 72.3 | Confident | 73.8 | Confident | 43 Ų | 43 | 72 Ų | 72 | 19% | 0.189 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -57 | -42.5 | 179.5 | -177.9 | -122.4 | 0 | 0 | 0 | 113 | Y245 W246 A247 N255 | F71-Y245 HydrophobicContact CD1-CD1 4.35Å; F71-Y245 HydrophobicContact CD1-CE1 4.39Å; F71-Y245 HydrophobicContact CE1-CE1 4.21Å; F71-W246 HydrophobicContact CB-CD2 3.66Å; F71-W246 HydrophobicContact CB-CE3 3.8Å; F71-W246 HydrophobicContact CB-CG 4.07Å; F71-W246 HydrophobicContact CB-CH2 4.36Å; F71-W246 HydrophobicContact CB-CZ2 4.25Å; F71-W246 HydrophobicContact CB-CZ3 4.15Å; F71-W246 HydrophobicContact CD2-CE3 4.25Å; F71-W246 HydrophobicContact CD2-CZ3 4.49Å; F71-W246 HydrophobicContact CG-CD2 4.46Å; F71-W246 HydrophobicContact CG-CE3 4.3Å; F71-A247 HydrophobicContact CE1-CB 3.88Å; F71-A247 HydrophobicContact CZ-CB 3.86Å; F71-N255 WeakPolarHBondContact CE2-ND2 3.32Å |
| 72 | R | 71.3 | Confident | 73.8 | Confident | 95 Ų | 95 | 74.6 Ų | 74.6 | 36% | 0.358 | 38% | 0.379 | S | S | . | . | trans | -144.7 | 151.9 | 170.2 | -69.6 | -166.5 | 177.2 | 164.5 | 8.6 | 110.7 | A70 E74 A75 A76 E231 | A70-R72 VanDerWaalsContact C-N 3.31Å; A70-R72 PolarHBondContact O-N 3.44Å; R72-E74 VanDerWaalsContact C-N 3.26Å; R72-E74 PolarHBondContact O-N 3.11Å; R72-A75 HydrophobicContact CB-CB 3.94Å; R72-A75 PolarHBondContact O-N 3.5Å; R72-A75 VanDerWaalsContact O-N 3.12Å; R72-A76 PolarHBondContact O-N 3.02Å; R72-E231 IonicContact CZ-OE1 3.81Å; R72-E231 IonicContact CZ-OE2 3.13Å; R72-E231 IonicContact NE-OE1 3.87Å; R72-E231 IonicContact NH1-OE1 2.73Å; R72-E231 PolarHBondContact NH1-OE1 3.07Å; R72-E231 IonicContact NH1-OE2 3.39Å; R72-E231 PolarHBondContact NH1-OE2 2.92Å; R72-E231 IonicContact NH2-OE1 2.66Å; R72-E231 PolarHBondContact NH2-OE1 3.37Å; R72-E231 IonicContact NH2-OE2 2.64Å; R72-E231 PolarHBondContact NH2-OE2 3.04Å | ||
| 73 | K | 64.9 | Low | 73.6 | Confident | 146 Ų | 146 | 74.3 Ų | 74.3 | 64% | 0.635 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -62.5 | -34.6 | 177.3 | -66.9 | -168.7 | 177.5 | -168 | 0 | 111.9 | A75 | K73-A75 VanDerWaalsContact C-N 3.29Å; K73-A75 PolarHBondContact O-N 3.18Å |
| 74 | E | 63 | Low | 73.4 | Confident | 126 Ų | 126 | 74.4 Ų | 74.4 | 59% | 0.589 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -80.1 | -11.3 | 178.7 | -47 | 78.7 | -159.2 | 0 | 0 | 113.6 | R72 | R72-E74 VanDerWaalsContact C-N 3.26Å; R72-E74 PolarHBondContact O-N 3.11Å |
| 75 | A | 61.1 | Low | 73.4 | Confident | 9 Ų | 9 | 79.7 Ų | 79.7 | 7% | 0.074 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -102.5 | -5.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | R72 K73 E244 Y245 | R72-A75 HydrophobicContact CB-CB 3.94Å; R72-A75 PolarHBondContact O-N 3.5Å; R72-A75 VanDerWaalsContact O-N 3.12Å; K73-A75 VanDerWaalsContact C-N 3.29Å; K73-A75 PolarHBondContact O-N 3.18Å; A75-E244 WeakPolarHBondContact O-CA 3.4Å; A75-Y245 HydrophobicContact CB-CD1 4.47Å; A75-Y245 PolarHBondContact O-N 2.93Å |
| 76 | A | 63.6 | Low | 73.5 | Confident | 15 Ų | 15 | 83.1 Ų | 83.1 | 12% | 0.124 | 41% | 0.406 | C | S | . | . | trans | -95.4 | 132.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A70 R72 | A70-A76 HydrophobicContact CB-CB 3.35Å; R72-A76 PolarHBondContact O-N 3.02Å | ||
| 77 | L | 60.8 | Low | 73.6 | Confident | 84 Ų | 84 | 75.5 Ų | 75.5 | 44% | 0.44 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -78.5 | -32.3 | 164.7 | -71.4 | 174.4 | 0 | 0 | 0 | 111.7 | H242 | L77-H242 HydrophobicContact CD1-CB 4.2Å; L77-H242 WeakPolarHBondContact CD1-O 3.32Å |
| 78 | H | 59.4 | Low | 73.9 | Confident | 78 Ų | 78 | 79 Ų | 79 | 36% | 0.361 | 38% | 0.383 | S | S | . | . | trans | -105.5 | 96.5 | 178.9 | -59.1 | 90.9 | 0 | 0 | 0 | 109.2 | T80 R262 L266 | H78-T80 PolarHBondContact O-N 3.06Å; H78-R262 PolarHBondContact O-NH2 3.28Å; H78-L266 HydrophobicContact CB-CD2 4.23Å | ||
| 79 | I | 62.2 | Low | 74 | Confident | 123 Ų | 123 | 82.2 Ų | 82.2 | 63% | 0.631 | 40% | 0.397 | S | S | * | . | trans | -79.6 | -10.5 | -177.8 | -51.8 | 172.1 | 0 | 0 | 0 | 111.5 | E81 | I79-E81 PolarHBondContact O-N 3.3Š| ||
| 80 | T | 66.1 | Low | 74.1 | Confident | 84 Ų | 84 | 75.6 Ų | 75.6 | 52% | 0.515 | 37% | 0.368 | S | S | . | . | trans | -66.6 | 133 | -178.8 | 52.3 | 0 | 0 | 0 | 0 | 111.2 | L67 H78 E82 | L67-T80 WeakPolarHBondContact CD2-O 3.2Å; H78-T80 PolarHBondContact O-N 3.06Å; T80-E82 VanDerWaalsContact C-N 3.31Å | ||
| 81 | E | 72.8 | Confident | 74.5 | Confident | 127 Ų | 127 | 75.1 Ų | 75.1 | 59% | 0.593 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -86.4 | -6.6 | 178.3 | -62.2 | -174.9 | 173.1 | 0 | 0 | 112.4 | I79 | I79-E81 PolarHBondContact O-N 3.3Š|
| 82 | E | 82.9 | Confident | 74.9 | Confident | 115 Ų | 115 | 80.2 Ų | 80.2 | 54% | 0.537 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -128.3 | 152.5 | -178.9 | -59.3 | -164.5 | 163.4 | 0 | 0 | 112.1 | T80 R88 | T80-E82 VanDerWaalsContact C-N 3.31Å; E82-R88 IonicContact OE1-NH1 4Å; E82-R88 IonicContact OE2-NH1 3.22Å; E82-R88 PolarHBondContact OE2-NH1 3.34Å |
| 83 | F | 84.6 | Confident | 74.9 | Confident | 8 Ų | 8 | 79.8 Ų | 79.8 | 4% | 0.035 | 39% | 0.387 | C | S | . | . | trans | -60.5 | 146.3 | 166.4 | -70.5 | -77 | 0 | 0 | 0 | 111 | I64 L67 N85 R88 V147 L148 A265 E269 | I64-F83 HydrophobicContact CG2-CE2 4.36Å; I64-F83 HydrophobicContact CG2-CZ 4.05Å; L67-F83 HydrophobicContact CB-CD2 4.15Å; L67-F83 HydrophobicContact CB-CE2 4.16Å; L67-F83 HydrophobicContact CB-CG 4.4Å; L67-F83 HydrophobicContact CB-CZ 4.41Å; L67-F83 HydrophobicContact CD1-CD1 4.22Å; L67-F83 HydrophobicContact CD1-CE1 3.88Å; L67-F83 HydrophobicContact CD1-CZ 4.17Å; F83-N85 PolarHBondContact O-N 2.76Å; F83-R88 HydrophobicContact CB-CG 3.81Å; F83-R88 WeakPolarHBondContact O-CD 3.46Å; F83-V147 HydrophobicContact CE1-CG1 4.09Å; F83-V147 HydrophobicContact CE2-CG1 4.43Å; F83-V147 HydrophobicContact CZ-CG1 3.63Å; F83-L148 HydrophobicContact CB-CD1 4.24Å; F83-L148 HydrophobicContact CD1-CD1 4.4Å; F83-L148 HydrophobicContact CD2-CD1 3.86Å; F83-L148 HydrophobicContact CD2-CD2 3.79Å; F83-L148 HydrophobicContact CD2-CG 4.01Å; F83-L148 HydrophobicContact CE2-CD1 4.25Å; F83-L148 HydrophobicContact CE2-CD2 3.88Å; F83-L148 HydrophobicContact CE2-CG 3.98Å; F83-L148 HydrophobicContact CG-CD1 3.93Å; F83-L148 HydrophobicContact CZ-CG 4.5Å; F83-A265 HydrophobicContact CE1-CB 3.93Å; F83-A265 HydrophobicContact CZ-CB 3.8Å; F83-E269 WeakPolarHBondContact CA-OE1 3.46Å; F83-E269 HydrophobicContact CD1-CB 4.27Å | ||
| 84 | N | 85.3 | Confident | 74.8 | Confident | 67 Ų | 67 | 80.2 Ų | 80.2 | 36% | 0.358 | 39% | 0.391 | S | S | . | . | trans | -51.6 | 133.4 | 175.1 | -171.2 | -60.1 | 0 | 0 | 0 | 111.2 | K86 V87 R88 E269 | N84-K86 PolarHBondContact O-N 3.19Å; N84-K86 VanDerWaalsContact O-N 3.15Å; N84-K86 WeakPolarHBondContact OD1-CB 2.83Å; N84-K86 PolarHBondContact OD1-N 3.2Å; N84-V87 HydrophobicContact CB-CB 4.42Å; N84-V87 HydrophobicContact CB-CG2 4.11Å; N84-V87 WeakPolarHBondContact O-CA 3.35Å; N84-V87 WeakPolarHBondContact O-CB 3.48Å; N84-V87 PolarHBondContact O-N 2.92Å; N84-R88 PolarHBondContact O-N 3.5Å; N84-E269 WeakPolarHBondContact CB-OE1 3.42Å; N84-E269 PolarHBondContact N-OE1 3.38Å | ||
| 85 | N | 86.3 | Confident | 74.3 | Confident | 114 Ų | 114 | 83.4 Ų | 83.4 | 61% | 0.61 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -54.5 | -37.2 | -178.7 | -75.9 | -23.3 | 0 | 0 | 0 | 112.8 | F83 V87 R88 M89 | F83-N85 PolarHBondContact O-N 2.76Å; N85-V87 VanDerWaalsContact C-N 3.33Å; N85-V87 PolarHBondContact O-N 2.9Å; N85-R88 PolarHBondContact O-N 3.42Å; N85-M89 WeakPolarHBondContact O-CB 3.37Å; N85-M89 VanDerWaalsContact O-CG 3.24Å; N85-M89 WeakPolarHBondContact O-CG 3.37Å; N85-M89 PolarHBondContact O-N 3.19Å |
| 86 | K | 85.9 | Confident | 74 | Confident | 145 Ų | 145 | 84.5 Ų | 84.5 | 63% | 0.63 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -62.2 | -40.9 | 176.2 | -64.1 | -178.4 | -179.2 | 177.7 | 0 | 111.7 | N84 A90 L273 L276 | N84-K86 PolarHBondContact O-N 3.19Å; N84-K86 VanDerWaalsContact O-N 3.15Å; N84-K86 WeakPolarHBondContact OD1-CB 2.83Å; N84-K86 PolarHBondContact OD1-N 3.2Å; K86-A90 VanDerWaalsContact O-CB 3.26Å; K86-A90 WeakPolarHBondContact O-CB 3.24Å; K86-A90 PolarHBondContact O-N 3.14Å; K86-L273 HydrophobicContact CB-CD2 4.35Å; K86-L276 HydrophobicContact CB-CD1 4.17Å |
| 87 | V | 85.6 | Confident | 73.1 | Confident | 0 Ų | 0 | 86.9 Ų | 86.9 | 0% | 0 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -67.4 | -46.3 | 177.6 | 175.1 | 0 | 0 | 0 | 0 | 110.6 | N84 N85 M89 A90 C91 L148 F268 E269 V272 L273 | N84-V87 HydrophobicContact CB-CB 4.42Å; N84-V87 HydrophobicContact CB-CG2 4.11Å; N84-V87 WeakPolarHBondContact O-CA 3.35Å; N84-V87 WeakPolarHBondContact O-CB 3.48Å; N84-V87 PolarHBondContact O-N 2.92Å; N85-V87 VanDerWaalsContact C-N 3.33Å; N85-V87 PolarHBondContact O-N 2.9Å; V87-M89 VanDerWaalsContact C-N 3.34Å; V87-M89 PolarHBondContact O-N 3.04Å; V87-A90 PolarHBondContact O-N 2.96Å; V87-C91 PolarHBondContact O-N 3.3Å; V87-C91 PolarHBondContact O-SG 2.92Å; V87-L148 HydrophobicContact CG1-CD1 4.2Å; V87-F268 HydrophobicContact CG1-CD1 4.49Å; V87-F268 HydrophobicContact CG1-CE1 3.97Å; V87-E269 HydrophobicContact CG2-CG 4.19Å; V87-V272 HydrophobicContact CB-CG1 4.24Å; V87-V272 HydrophobicContact CG1-CB 4.11Å; V87-V272 HydrophobicContact CG1-CG1 4.01Å; V87-V272 HydrophobicContact CG1-CG2 4.24Å; V87-V272 HydrophobicContact CG2-CB 4Å; V87-V272 HydrophobicContact CG2-CG1 3.87Å; V87-L273 HydrophobicContact CG2-CD1 4.48Å; V87-L273 HydrophobicContact CG2-CD2 3.74Å; V87-L273 HydrophobicContact CG2-CG 3.7Å |
| 88 | R | 86.2 | Confident | 72.4 | Confident | 83 Ų | 83 | 89.7 Ų | 89.7 | 31% | 0.313 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -59.1 | -45.1 | 177.1 | -65.2 | -179.1 | 75.6 | 175.8 | 5 | 111.6 | E82 F83 N84 N85 C91 K92 L148 | E82-R88 IonicContact OE1-NH1 4Å; E82-R88 IonicContact OE2-NH1 3.22Å; E82-R88 PolarHBondContact OE2-NH1 3.34Å; F83-R88 HydrophobicContact CB-CG 3.81Å; F83-R88 WeakPolarHBondContact O-CD 3.46Å; N84-R88 PolarHBondContact O-N 3.5Å; N85-R88 PolarHBondContact O-N 3.42Å; R88-C91 PolarHBondContact O-N 3.24Å; R88-K92 WeakPolarHBondContact O-CB 3.41Å; R88-K92 WeakPolarHBondContact O-CG 3.46Å; R88-K92 PolarHBondContact O-N 2.99Å; R88-L148 HydrophobicContact CG-CD1 4.33Å |
| 89 | M | 84 | Confident | 71.8 | Confident | 92 Ų | 92 | 87.7 Ų | 87.7 | 45% | 0.453 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.4 | -45.2 | 177.6 | -68.9 | -57.4 | -65.7 | 0 | 0 | 111.7 | N85 V87 C91 K92 E93 | N85-M89 WeakPolarHBondContact O-CB 3.37Å; N85-M89 VanDerWaalsContact O-CG 3.24Å; N85-M89 WeakPolarHBondContact O-CG 3.37Å; N85-M89 PolarHBondContact O-N 3.19Å; V87-M89 VanDerWaalsContact C-N 3.34Å; V87-M89 PolarHBondContact O-N 3.04Å; M89-C91 VanDerWaalsContact C-N 3.31Å; M89-C91 PolarHBondContact O-N 2.77Å; M89-K92 PolarHBondContact O-N 2.91Å; M89-E93 WeakPolarHBondContact O-CB 3.24Å; M89-E93 WeakPolarHBondContact O-CG 3.41Å; M89-E93 PolarHBondContact O-N 2.85Å |
| 90 | A | 83.1 | Confident | 71.3 | Confident | 9 Ų | 9 | 84.7 Ų | 84.7 | 7% | 0.074 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -59.6 | -39.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | K86 V87 V272 L276 | K86-A90 VanDerWaalsContact O-CB 3.26Å; K86-A90 WeakPolarHBondContact O-CB 3.24Å; K86-A90 PolarHBondContact O-N 3.14Å; V87-A90 PolarHBondContact O-N 2.96Å; A90-V272 HydrophobicContact CB-CG1 4.36Å; A90-L276 HydrophobicContact CB-CD1 4.06Å; A90-L276 HydrophobicContact CB-CD2 4.02Å |
| 91 | C | 83.1 | Confident | 71 | Confident | 14 Ų | 14 | 83.7 Ų | 83.7 | 10% | 0.095 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -69.1 | -42.8 | 176.3 | -61.5 | 0 | 0 | 0 | 0 | 111.9 | V87 R88 M89 Q94 L148 V150 | V87-C91 PolarHBondContact O-N 3.3Å; V87-C91 PolarHBondContact O-SG 2.92Å; R88-C91 PolarHBondContact O-N 3.24Å; M89-C91 VanDerWaalsContact C-N 3.31Å; M89-C91 PolarHBondContact O-N 2.77Å; C91-Q94 PolarHBondContact O-N 2.64Å; C91-L148 HydrophobicContact CB-CB 4.12Å; C91-V150 HydrophobicContact CB-CG2 4.18Å |
| 92 | K | 80.1 | Confident | 71.3 | Confident | 150 Ų | 150 | 78.1 Ų | 78.1 | 65% | 0.652 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -65.7 | -42.2 | 179.9 | -78.7 | 179.9 | 178.5 | -176 | 0 | 113.3 | R88 M89 Q94 | R88-K92 WeakPolarHBondContact O-CB 3.41Å; R88-K92 WeakPolarHBondContact O-CG 3.46Å; R88-K92 PolarHBondContact O-N 2.99Å; M89-K92 PolarHBondContact O-N 2.91Å; K92-Q94 PolarHBondContact O-N 3.31Å |
| 93 | E | 71.3 | Confident | 71.7 | Confident | 86 Ų | 86 | 75.6 Ų | 75.6 | 40% | 0.402 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -0.2 | -175.5 | -67.6 | 177.5 | 164.4 | 0 | 0 | 112.9 | M89 R95 | M89-E93 WeakPolarHBondContact O-CB 3.24Å; M89-E93 WeakPolarHBondContact O-CG 3.41Å; M89-E93 PolarHBondContact O-N 2.85Å; E93-R95 HydrophobicContact CB-CB 4.22Å; E93-R95 HydrophobicContact CB-CG 3.9Å; E93-R95 PolarHBondContact O-N 2.83Å; E93-R95 IonicContact OE1-NH1 3.68Å; E93-R95 WeakPolarHBondContact OE2-CD 3.34Å; E93-R95 IonicContact OE2-CZ 3.93Å; E93-R95 IonicContact OE2-NE 3.03Å; E93-R95 PolarHBondContact OE2-NE 2.78Å; E93-R95 IonicContact OE2-NH1 3.91Å; E93-R95 PolarHBondContact OE2-NH1 3.34Å |
| 94 | Q | 63 | Low | 72.1 | Confident | 156 Ų | 156 | 75.2 Ų | 75.2 | 73% | 0.729 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 17.7 | -169.1 | -62.2 | -177.9 | -9.1 | 0 | 0 | 113 | C91 K92 T96 G97 | C91-Q94 PolarHBondContact O-N 2.64Å; K92-Q94 PolarHBondContact O-N 3.31Å; Q94-T96 CarbonylContact O-C 3.38Å; Q94-T96 PolarHBondContact O-N 2.66Å; Q94-G97 PolarHBondContact O-N 2.92Å; Q94-G97 VanDerWaalsContact O-N 3.14Å |
| 95 | R | 53.6 | Low | 72.6 | Confident | 192 Ų | 192 | 73.8 Ų | 73.8 | 73% | 0.725 | 38% | 0.384 | S | S | * | . | trans | -66.3 | -0.5 | 169.8 | -79.3 | -169.9 | -176.4 | 153.8 | -8.4 | 112.1 | E93 G97 | E93-R95 HydrophobicContact CB-CB 4.22Å; E93-R95 HydrophobicContact CB-CG 3.9Å; E93-R95 PolarHBondContact O-N 2.83Å; E93-R95 IonicContact OE1-NH1 3.68Å; E93-R95 WeakPolarHBondContact OE2-CD 3.34Å; E93-R95 IonicContact OE2-CZ 3.93Å; E93-R95 IonicContact OE2-NE 3.03Å; E93-R95 PolarHBondContact OE2-NE 2.78Å; E93-R95 IonicContact OE2-NH1 3.91Å; E93-R95 PolarHBondContact OE2-NH1 3.34Å; R95-G97 PolarHBondContact O-N 2.77Å | ||
| 96 | T | 54.1 | Low | 73.1 | Confident | 33 Ų | 33 | 68.3 Ų | 68.3 | 20% | 0.202 | 36% | 0.355 | C | S | . | . | trans | -59.5 | 34.1 | 147 | 58.9 | 0 | 0 | 0 | 0 | 112.8 | Q94 T98 V99 V150 | Q94-T96 CarbonylContact O-C 3.38Å; Q94-T96 PolarHBondContact O-N 2.66Å; T96-T98 PolarHBondContact O-N 2.91Å; T96-V99 HydrophobicContact CG2-CB 4.36Å; T96-V99 HydrophobicContact CG2-CG2 3.74Å; T96-V99 WeakPolarHBondContact O-CB 3.32Å; T96-V99 WeakPolarHBondContact O-CG2 3.26Å; T96-V99 PolarHBondContact O-N 2.95Å; T96-V150 HydrophobicContact CG2-CG2 4.48Å | ||
| 97 | G | 45.5 | Very low | 73.6 | Confident | 64 Ų | 64 | 61.4 Ų | 61.4 | 66% | 0.66 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | 13.7 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q94 R95 | Q94-G97 PolarHBondContact O-N 2.92Å; Q94-G97 VanDerWaalsContact O-N 3.14Å; R95-G97 PolarHBondContact O-N 2.77Å |
| 98 | T | 45.6 | Very low | 74.1 | Confident | 143 Ų | 143 | 61.4 Ų | 61.4 | 88% | 0.877 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -154.1 | 21.1 | 170.7 | -17.2 | 0 | 0 | 0 | 0 | 111 | T96 G100 | T96-T98 PolarHBondContact O-N 2.91Å; T98-G100 PolarHBondContact O-N 2.85Å |
| 99 | V | 47.8 | Very low | 74.5 | Confident | 37 Ų | 37 | 57.5 Ų | 57.5 | 22% | 0.224 | 31% | 0.31 | C | S | . | . | trans | -81.1 | 73.6 | -176.7 | -176 | 0 | 0 | 0 | 0 | 108.8 | T96 F101 K102 V150 | T96-V99 HydrophobicContact CG2-CB 4.36Å; T96-V99 HydrophobicContact CG2-CG2 3.74Å; T96-V99 WeakPolarHBondContact O-CB 3.32Å; T96-V99 WeakPolarHBondContact O-CG2 3.26Å; T96-V99 PolarHBondContact O-N 2.95Å; V99-F101 PolarHBondContact O-N 2.83Å; V99-K102 HydrophobicContact CG1-CD 3.84Å; V99-K102 HydrophobicContact CG1-CG 3.57Å; V99-V150 HydrophobicContact CG1-CG1 3.93Å | ||
| 100 | G | 51.2 | Low | 75 | Confident | 60 Ų | 60 | 53.1 Ų | 53.1 | 62% | 0.619 | 29% | 0.288 | S | S | * | . | trans | -50.8 | 128.1 | 149.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | T98 K102 | T98-G100 PolarHBondContact O-N 2.85Å; G100-K102 PolarHBondContact O-N 3.15Å; G100-K102 VanDerWaalsContact O-N 3.11Å | ||
| 101 | F | 59.5 | Low | 75.5 | Confident | 62 Ų | 62 | 54.1 Ų | 54.1 | 27% | 0.272 | 29% | 0.293 | S | S | . | . | trans | 10.1 | 93.6 | 156.1 | -166 | -99.2 | 0 | 0 | 0 | 114.2 | V99 I103 M142 R144 P151 S153 | V99-F101 PolarHBondContact O-N 2.83Å; F101-I103 HydrophobicContact CD1-CD1 3.61Å; F101-I103 HydrophobicContact CD1-CG1 3.42Å; F101-I103 VanDerWaalsContact CD1-CG1 3.42Å; F101-I103 HydrophobicContact CE1-CD1 3.63Å; F101-I103 HydrophobicContact CE1-CG1 3.55Å; F101-M142 HydrophobicContact CE1-SD 4.44Å; F101-M142 HydrophobicContact CZ-SD 4.37Å; F101-R144 HydrophobicContact CZ-CG 4.36Å; F101-P151 HydrophobicContact CD2-CB 4.45Å; F101-S153 WeakPolarHBondContact CE1-OG 3.4Å; F101-S153 WeakPolarHBondContact CE2-OG 3.39Å; F101-S153 WeakPolarHBondContact CZ-OG 3.46Å | ||
| 102 | K | 78.9 | Confident | 75.9 | Confident | 10 Ų | 10 | 56.7 Ų | 56.7 | 4% | 0.043 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 134.3 | 179 | -73.8 | -173.4 | 176.8 | -162.8 | 0 | 109.4 | V99 G100 P151 F152 S153 F268 V272 E275 | V99-K102 HydrophobicContact CG1-CD 3.84Å; V99-K102 HydrophobicContact CG1-CG 3.57Å; G100-K102 PolarHBondContact O-N 3.15Å; G100-K102 VanDerWaalsContact O-N 3.11Å; K102-P151 PolarHBondContact N-O 3.02Å; K102-F152 HydrophobicContact CB-CD2 3.65Å; K102-F152 HydrophobicContact CB-CE2 4.22Å; K102-F152 CarbonylContact O-C 3.58Å; K102-F152 WeakPolarHBondContact O-CA 3.45Å; K102-F152 VanDerWaalsContact O-CD2 3.25Å; K102-F152 WeakPolarHBondContact O-CD2 3.15Å; K102-S153 PolarHBondContact O-N 2.8Å; K102-F268 HydrophobicContact CD-CD2 4.46Å; K102-F268 HydrophobicContact CD-CE2 4.22Å; K102-V272 HydrophobicContact CD-CG2 4.37Å; K102-E275 VanDerWaalsContact CE-CD 3.48Å; K102-E275 WeakPolarHBondContact CE-OE1 3.37Å; K102-E275 WeakPolarHBondContact CE-OE2 3.42Å; K102-E275 IonicContact NZ-OE1 3.16Å; K102-E275 PolarHBondContact NZ-OE1 2.81Å; K102-E275 IonicContact NZ-OE2 3.71Å; K102-E275 PolarHBondContact NZ-OE2 3.27Å |
| 103 | I | 90.4 | Very high | 76.5 | Confident | 63 Ų | 63 | 51.9 Ų | 51.9 | 32% | 0.323 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 135.3 | 179.6 | -53.9 | 178.9 | 0 | 0 | 0 | 109.2 | F101 S153 Q155 | F101-I103 HydrophobicContact CD1-CD1 3.61Å; F101-I103 HydrophobicContact CD1-CG1 3.42Å; F101-I103 VanDerWaalsContact CD1-CG1 3.42Å; F101-I103 HydrophobicContact CE1-CD1 3.63Å; F101-I103 HydrophobicContact CE1-CG1 3.55Å; I103-S153 CarbonylContact C-O 3.53Å; I103-S153 VanDerWaalsContact CA-O 3.3Å; I103-S153 WeakPolarHBondContact CA-O 3.34Å; I103-Q155 HydrophobicContact CG2-CB 4.45Å; I103-Q155 HydrophobicContact CG2-CG 3.56Å |
| 104 | S | 94.5 | Very high | 77.7 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 131.4 | 165.6 | -72 | 0 | 0 | 0 | 0 | 112.2 | F152 S153 L154 Q155 N271 | S104-F152 WeakPolarHBondContact OG-CZ 3.2Å; S104-S153 PolarHBondContact N-O 3.14Å; S104-L154 WeakPolarHBondContact O-CA 3.26Å; S104-Q155 PolarHBondContact O-N 3.46Å; S104-N271 PolarHBondContact OG-ND2 3.32Å |
| 105 | K | 95.1 | Very high | 79.2 | Confident | 36 Ų | 36 | 41.1 Ų | 41.1 | 16% | 0.157 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 124.1 | 171.4 | -176.1 | 170.2 | 178.5 | -176.6 | 0 | 110.5 | Y172 R174 Q177 V178 | K105-Y172 WeakPolarHBondContact CE-O 3.23Å; K105-Y172 PolarHBondContact NZ-O 2.95Å; K105-R174 PolarHBondContact NZ-O 3.36Å; K105-Q177 PolarHBondContact O-N 2.96Å; K105-V178 PolarHBondContact O-N 3.39Å; K105-V178 VanDerWaalsContact O-N 3.14Å |
| 106 | V | 96.9 | Very high | 81.1 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 123.9 | 178.4 | -173.5 | 0 | 0 | 0 | 0 | 108.2 | L154 Q155 L156 W157 V178 I180 V263 | V106-L154 HydrophobicContact CG2-CB 4.29Å; V106-L154 HydrophobicContact CG2-CD1 4.44Å; V106-L154 HydrophobicContact CG2-CD2 3.88Å; V106-L154 HydrophobicContact CG2-CG 4.44Å; V106-Q155 PolarHBondContact N-O 2.75Å; V106-Q155 VanDerWaalsContact O-O 3.04Å; V106-L156 HydrophobicContact CB-CD2 3.85Å; V106-L156 HydrophobicContact CG1-CD2 4.1Å; V106-L156 HydrophobicContact CG2-CD2 4.06Å; V106-W157 PolarHBondContact O-N 2.96Å; V106-V178 WeakPolarHBondContact CA-O 3.33Å; V106-V178 HydrophobicContact CB-CB 4.31Å; V106-V178 HydrophobicContact CG1-CB 4.05Å; V106-V178 HydrophobicContact CG1-CG1 4.07Å; V106-V178 HydrophobicContact CG2-CB 4.02Å; V106-V178 HydrophobicContact CG2-CG2 4.28Å; V106-I180 HydrophobicContact CG1-CD1 3.49Å; V106-I180 VanDerWaalsContact CG1-CD1 3.49Å; V106-I180 HydrophobicContact CG1-CG1 3.89Å; V106-V263 HydrophobicContact CG2-CG1 4.49Å |
| 107 | I | 95.9 | Very high | 83.1 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 139.5 | 171.4 | 66.1 | 173.6 | 0 | 0 | 0 | 109.7 | V109 W157 Y173 A176 V178 V179 I180 A201 | I107-V109 HydrophobicContact CD1-CG1 4.26Å; I107-V109 HydrophobicContact CG1-CG1 4.46Å; I107-W157 HydrophobicContact CG2-CB 4.09Å; I107-W157 HydrophobicContact CG2-CG 4.48Å; I107-Y173 HydrophobicContact CD1-CD1 3.74Å; I107-Y173 HydrophobicContact CD1-CE1 4.37Å; I107-Y173 HydrophobicContact CD1-CG 3.82Å; I107-A176 HydrophobicContact CD1-CB 4.04Å; I107-A176 HydrophobicContact CG1-CB 3.97Å; I107-A176 HydrophobicContact CG2-CB 3.95Å; I107-V178 PolarHBondContact N-O 3.28Å; I107-V179 HydrophobicContact CD1-CG1 4.46Å; I107-V179 HydrophobicContact CD1-CG2 3.88Å; I107-V179 HydrophobicContact CG1-CB 4.26Å; I107-V179 HydrophobicContact CG1-CG1 4.21Å; I107-V179 HydrophobicContact CG1-CG2 3.76Å; I107-I180 PolarHBondContact O-N 3.43Å; I107-A201 HydrophobicContact CD1-CB 4.12Å |
| 108 | V | 96.3 | Very high | 85.5 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 117 | 175.9 | -169.4 | 0 | 0 | 0 | 0 | 108.7 | K116 I120 W157 T159 I180 | V108-K116 HydrophobicContact CG1-CB 3.87Å; V108-K116 HydrophobicContact CG1-CD 4.03Å; V108-K116 HydrophobicContact CG1-CG 3.85Å; V108-I120 HydrophobicContact CB-CD1 4.23Å; V108-I120 HydrophobicContact CG2-CD1 3.78Å; V108-I120 HydrophobicContact CG2-CG1 4.23Å; V108-W157 PolarHBondContact N-O 3.18Å; V108-T159 WeakPolarHBondContact O-CB 3.34Å; V108-T159 WeakPolarHBondContact O-CG2 3.31Å; V108-T159 PolarHBondContact O-N 3.31Å; V108-T159 PolarHBondContact O-OG1 3.28Å; V108-I180 WeakPolarHBondContact CA-O 3.25Å; V108-I180 HydrophobicContact CG1-CB 4.29Å; V108-I180 HydrophobicContact CG1-CG2 4.15Å; V108-I180 HydrophobicContact CG2-CB 4.2Å; V108-I180 HydrophobicContact CG2-CD1 4.2Å |
| 109 | V | 95.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 161.2 | -175.3 | -60.9 | 0 | 0 | 0 | 0 | 110.9 | I107 K116 T159 Y173 V179 I180 I181 A182 W197 | I107-V109 HydrophobicContact CD1-CG1 4.26Å; I107-V109 HydrophobicContact CG1-CG1 4.46Å; V109-K116 VanDerWaalsContact C-CD 3.5Å; V109-T159 HydrophobicContact CG1-CG2 4.45Å; V109-Y173 HydrophobicContact CG1-CE1 3.93Å; V109-Y173 HydrophobicContact CG1-CE2 4.48Å; V109-V179 HydrophobicContact CG2-CG1 3.99Å; V109-I180 PolarHBondContact N-O 3.24Å; V109-I181 HydrophobicContact CG2-CB 4.43Å; V109-I181 HydrophobicContact CG2-CG1 3.99Å; V109-I181 HydrophobicContact CG2-CG2 4.49Å; V109-A182 PolarHBondContact O-N 3.43Å; V109-W197 HydrophobicContact CB-CB 4.41Å; V109-W197 HydrophobicContact CB-CE3 4.11Å; V109-W197 HydrophobicContact CG2-CB 4.11Å |
| 110 | G | 94.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | 142.2 | 174.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K116 G161 A182 W197 | G110-K116 PolarHBondContact O-NZ 3.39Å; G110-G161 VanDerWaalsContact O-CA 3.27Å; G110-G161 WeakPolarHBondContact O-CA 3.43Å; G110-A182 WeakPolarHBondContact CA-O 3.29Å; G110-W197 VanDerWaalsContact C-CE2 3.43Å; G110-W197 VanDerWaalsContact O-CZ2 3.3Å; G110-W197 WeakPolarHBondContact O-CZ2 3.44Å | ||
| 111 | D | 93.6 | Very high | 92.3 | Very high | 31 Ų | 31 | 22.1 Ų | 22.1 | 17% | 0.166 | 13% | 0.126 | C | C | . | . | trans | -62.8 | 166.8 | -173.5 | -80.7 | 0.7 | 0 | 0 | 0 | 114.2 | V114 K116 H193 W197 | D111-V114 HydrophobicContact CB-CG1 3.63Å; D111-V114 VanDerWaalsContact O-CG2 3.3Å; D111-V114 WeakPolarHBondContact O-CG2 3.35Å; D111-K116 PolarHBondContact O-NZ 3.49Å; D111-H193 IonicContact OD1-ND1 3.92Å; D111-H193 IonicContact OD2-CE1 2.76Å; D111-H193 IonicContact OD2-CG 3.8Å; D111-H193 IonicContact OD2-ND1 3.55Å; D111-H193 PolarHBondContact OD2-ND1 3.35Å; D111-W197 PolarHBondContact OD1-NE1 2.99Å | ||
| 112 | L | 91.8 | Very high | 94.1 | Very high | 68 Ų | 68 | 21.2 Ų | 21.2 | 36% | 0.356 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 140.3 | 172 | -167.8 | 65.8 | 0 | 0 | 0 | 110.3 | V114 Y132 G161 Q162 | L112-V114 PolarHBondContact O-N 3.01Å; L112-Y132 WeakPolarHBondContact CD1-OH 3.23Å; L112-Y132 WeakPolarHBondContact CG-OH 3.39Å; L112-G161 PolarHBondContact N-O 3.33Å; L112-G161 VanDerWaalsContact N-O 3.14Å; L112-Q162 HydrophobicContact CD1-CB 4.15Å |
| 113 | A | 92.2 | Very high | 94.9 | Very high | 48 Ų | 48 | 21 Ų | 21 | 40% | 0.397 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 10.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | G115 Y132 K218 | A113-G115 VanDerWaalsContact C-N 3.3Å; A113-G115 PolarHBondContact O-N 3.48Å; A113-Y132 HydrophobicContact CB-CD2 4.22Å; A113-Y132 HydrophobicContact CB-CE2 3.7Å; A113-K218 VanDerWaalsContact O-CE 3.24Å; A113-K218 WeakPolarHBondContact O-CE 3.35Å; A113-K218 PolarHBondContact O-NZ 3.45Å |
| 114 | V | 95.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.012 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -64.8 | -34.1 | 171.6 | -59.6 | 0 | 0 | 0 | 0 | 111.8 | D111 L112 K116 A182 D184 T217 K218 | D111-V114 HydrophobicContact CB-CG1 3.63Å; D111-V114 VanDerWaalsContact O-CG2 3.3Å; D111-V114 WeakPolarHBondContact O-CG2 3.35Å; L112-V114 PolarHBondContact O-N 3.01Å; V114-K116 HydrophobicContact CG2-CG 3.83Å; V114-A182 HydrophobicContact CG2-CB 4.05Å; V114-D184 HydrophobicContact CB-CB 4.44Å; V114-D184 HydrophobicContact CG1-CB 4.37Å; V114-T217 PolarHBondContact O-OG1 2.82Å; V114-K218 WeakPolarHBondContact O-CE 3.42Å |
| 115 | G | 94.5 | Very high | 95 | Very high | 15 Ų | 15 | 23.5 Ų | 23.5 | 16% | 0.155 | 13% | 0.13 | C | C | . | . | S | Bend | trans | 126.6 | 15.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | A113 T117 C118 L119 | A113-G115 VanDerWaalsContact C-N 3.3Å; A113-G115 PolarHBondContact O-N 3.48Å; G115-T117 PolarHBondContact O-N 3.42Å; G115-C118 WeakPolarHBondContact O-CB 3.03Å; G115-C118 PolarHBondContact O-N 3.08Å; G115-C118 VanDerWaalsContact O-N 3.1Å; G115-L119 WeakPolarHBondContact O-CB 3.37Å; G115-L119 PolarHBondContact O-N 3.44Å |
| 116 | K | 95.4 | Very high | 94.8 | Very high | 10 Ų | 10 | 27.6 Ų | 27.6 | 4% | 0.043 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -48.4 | -54.5 | 178.7 | -57.7 | -173.4 | -62.8 | -76.3 | 0 | 113.7 | V108 V109 G110 D111 V114 C118 L119 I120 D158 T159 G161 A182 | V108-K116 HydrophobicContact CG1-CB 3.87Å; V108-K116 HydrophobicContact CG1-CD 4.03Å; V108-K116 HydrophobicContact CG1-CG 3.85Å; V109-K116 VanDerWaalsContact C-CD 3.5Å; G110-K116 PolarHBondContact O-NZ 3.39Å; D111-K116 PolarHBondContact O-NZ 3.49Å; V114-K116 HydrophobicContact CG2-CG 3.83Å; K116-C118 VanDerWaalsContact C-N 3.33Å; K116-C118 PolarHBondContact O-N 2.7Å; K116-L119 WeakPolarHBondContact O-CB 3.45Å; K116-L119 PolarHBondContact O-N 3.38Å; K116-I120 PolarHBondContact O-N 3.17Å; K116-D158 WeakPolarHBondContact CB-OD1 3.27Å; K116-T159 WeakPolarHBondContact CE-O 3.21Å; K116-G161 VanDerWaalsContact NZ-CA 3.3Å; K116-A182 HydrophobicContact CG-CB 3.9Å |
| 117 | T | 94.8 | Very high | 94.6 | Very high | 37 Ų | 37 | 29.8 Ų | 29.8 | 23% | 0.227 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.9 | -39.5 | 178.4 | -45 | 0 | 0 | 0 | 0 | 112.4 | G115 L119 N121 T135 D158 | G115-T117 PolarHBondContact O-N 3.42Å; T117-L119 VanDerWaalsContact C-N 3.34Å; T117-N121 VanDerWaalsContact O-CB 3.27Å; T117-N121 WeakPolarHBondContact O-CB 3.3Å; T117-N121 VanDerWaalsContact O-CG 3.3Å; T117-N121 PolarHBondContact O-N 3.46Å; T117-N121 PolarHBondContact O-ND2 2.86Å; T117-T135 PolarHBondContact OG1-OG1 2.97Å; T117-D158 WeakPolarHBondContact CA-OD2 3.19Å; T117-D158 VanDerWaalsContact CB-OD2 3.23Å; T117-D158 WeakPolarHBondContact CB-OD2 3.07Å; T117-D158 WeakPolarHBondContact CG2-OD2 3.33Å; T117-D158 PolarHBondContact N-OD1 3.38Å; T117-D158 PolarHBondContact OG1-OD1 2.76Å; T117-D158 PolarHBondContact OG1-OD2 3.41Å |
| 118 | C | 95.6 | Very high | 94.4 | Very high | 37 Ų | 37 | 33.1 Ų | 33.1 | 25% | 0.25 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.6 | -37 | 177.4 | -66.7 | 0 | 0 | 0 | 0 | 111.4 | G115 K116 R122 F128 | G115-C118 WeakPolarHBondContact O-CB 3.03Å; G115-C118 PolarHBondContact O-N 3.08Å; G115-C118 VanDerWaalsContact O-N 3.1Å; K116-C118 VanDerWaalsContact C-N 3.33Å; K116-C118 PolarHBondContact O-N 2.7Å; C118-R122 WeakPolarHBondContact O-CB 3.42Å; C118-R122 PolarHBondContact O-N 3.14Å; C118-F128 HydrophobicContact CB-CD2 4.21Å; C118-F128 HydrophobicContact CB-CE2 4.12Å |
| 119 | L | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.5 | -49 | 176.9 | 179.9 | 60.5 | 0 | 0 | 0 | 111.4 | G115 K116 T117 R122 F123 V215 V248 S250 V256 F259 F260 | G115-L119 WeakPolarHBondContact O-CB 3.37Å; G115-L119 PolarHBondContact O-N 3.44Å; K116-L119 WeakPolarHBondContact O-CB 3.45Å; K116-L119 PolarHBondContact O-N 3.38Å; T117-L119 VanDerWaalsContact C-N 3.34Å; L119-R122 PolarHBondContact O-N 3.16Å; L119-F123 PolarHBondContact O-N 3.39Å; L119-F123 VanDerWaalsContact O-N 3.14Å; L119-V215 HydrophobicContact CD2-CG1 4.04Å; L119-V248 HydrophobicContact CD1-CG2 3.85Å; L119-S250 VanDerWaalsContact CA-OG 3.29Å; L119-S250 WeakPolarHBondContact CA-OG 3.3Å; L119-S250 PolarHBondContact N-OG 3.26Å; L119-V256 HydrophobicContact CD1-CB 4.45Å; L119-V256 HydrophobicContact CD1-CG1 3.92Å; L119-V256 HydrophobicContact CD1-CG2 3.94Å; L119-F259 HydrophobicContact CD2-CE1 4.33Å; L119-F260 HydrophobicContact CD1-CE2 3.97Å; L119-F260 HydrophobicContact CD2-CZ 4.5Å; L119-F260 HydrophobicContact CG-CE2 3.83Å; L119-F260 HydrophobicContact CG-CZ 4.08Å |
| 120 | I | 96.3 | Very high | 93.4 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.2 | -47.4 | 177.2 | -67.2 | 166.6 | 0 | 0 | 0 | 110.9 | V108 K116 R122 F123 C124 E141 L156 D158 F260 | V108-I120 HydrophobicContact CB-CD1 4.23Å; V108-I120 HydrophobicContact CG2-CD1 3.78Å; V108-I120 HydrophobicContact CG2-CG1 4.23Å; K116-I120 PolarHBondContact O-N 3.17Å; I120-R122 PolarHBondContact O-N 3.41Å; I120-F123 PolarHBondContact O-N 3.32Å; I120-F123 VanDerWaalsContact O-N 3.16Å; I120-C124 PolarHBondContact O-N 3.31Å; I120-E141 HydrophobicContact CG2-CB 4.1Å; I120-E141 HydrophobicContact CG2-CG 3.97Å; I120-L156 HydrophobicContact CG2-CB 4.37Å; I120-L156 HydrophobicContact CG2-CD1 4.12Å; I120-D158 HydrophobicContact CD1-CB 3.52Å; I120-F260 HydrophobicContact CG1-CZ 4.49Å |
| 121 | N | 94.8 | Very high | 92.9 | Very high | 41 Ų | 41 | 50.5 Ų | 50.5 | 22% | 0.219 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.1 | -39.2 | 180 | -77.2 | -31.2 | 0 | 0 | 0 | 112.5 | T117 F123 K125 D126 A127 | T117-N121 VanDerWaalsContact O-CB 3.27Å; T117-N121 WeakPolarHBondContact O-CB 3.3Å; T117-N121 VanDerWaalsContact O-CG 3.3Å; T117-N121 PolarHBondContact O-N 3.46Å; T117-N121 PolarHBondContact O-ND2 2.86Å; N121-F123 VanDerWaalsContact C-N 3.27Å; N121-F123 PolarHBondContact O-N 3.4Å; N121-K125 WeakPolarHBondContact O-CA 3.41Å; N121-K125 WeakPolarHBondContact O-CB 3.41Å; N121-K125 PolarHBondContact O-N 2.97Å; N121-K125 PolarHBondContact OD1-NZ 2.9Å; N121-D126 PolarHBondContact O-N 3.37Å; N121-A127 CarbonylContact C-O 3.45Å; N121-A127 PolarHBondContact O-N 2.92Å |
| 122 | R | 96.3 | Very high | 92.2 | Very high | 43 Ų | 43 | 55.2 Ų | 55.2 | 16% | 0.162 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.5 | -41 | 174.7 | 174.2 | 55.4 | 70.3 | -172.5 | 9.3 | 110.6 | C118 L119 I120 D126 A127 S250 L251 V256 | C118-R122 WeakPolarHBondContact O-CB 3.42Å; C118-R122 PolarHBondContact O-N 3.14Å; L119-R122 PolarHBondContact O-N 3.16Å; I120-R122 PolarHBondContact O-N 3.41Å; R122-D126 IonicContact CZ-OD1 2.78Å; R122-D126 PolarHBondContact NH1-O 3.34Å; R122-D126 VanDerWaalsContact NH1-O 3.17Å; R122-D126 IonicContact NH1-OD1 2.79Å; R122-D126 PolarHBondContact NH1-OD1 3.46Å; R122-D126 VanDerWaalsContact O-CA 3.23Å; R122-D126 WeakPolarHBondContact O-CA 3.28Å; R122-D126 PolarHBondContact O-N 2.96Å; R122-A127 WeakPolarHBondContact CA-O 3.44Å; R122-A127 PolarHBondContact N-O 2.91Å; R122-S250 PolarHBondContact NE-O 2.97Å; R122-S250 PolarHBondContact NH2-O 2.95Å; R122-L251 PolarHBondContact NH2-O 3.2Å; R122-V256 HydrophobicContact CB-CG1 4.26Å; R122-V256 HydrophobicContact CG-CB 4.14Å; R122-V256 HydrophobicContact CG-CG1 3.83Å; R122-V256 HydrophobicContact CG-CG2 4.05Å |
| 123 | F | 96.3 | Very high | 91.6 | Very high | 6 Ų | 6 | 58.7 Ų | 58.7 | 3% | 0.026 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -72.8 | -50.7 | -179.8 | 178.6 | -116.4 | 0 | 0 | 0 | 113.7 | R62 L119 I120 N121 E143 F145 L156 V256 F260 F261 | R62-F123 PolarHBondContact NH2-O 3.36Å; L119-F123 PolarHBondContact O-N 3.39Å; L119-F123 VanDerWaalsContact O-N 3.14Å; I120-F123 PolarHBondContact O-N 3.32Å; I120-F123 VanDerWaalsContact O-N 3.16Å; N121-F123 VanDerWaalsContact C-N 3.27Å; N121-F123 PolarHBondContact O-N 3.4Å; F123-E143 HydrophobicContact CE1-CB 3.97Å; F123-E143 HydrophobicContact CE1-CG 3.55Å; F123-E143 HydrophobicContact CZ-CG 3.89Å; F123-F145 HydrophobicContact CE1-CE2 4.44Å; F123-F145 AromaticContact CE1-CZ 3.84Å; F123-F145 HydrophobicContact CE1-CZ 3.84Å; F123-F145 AromaticContact CZ-CE1 3.95Å; F123-F145 HydrophobicContact CZ-CE1 3.95Å; F123-F145 HydrophobicContact CZ-CE2 4.36Å; F123-F145 AromaticContact CZ-CZ 3.41Å; F123-F145 HydrophobicContact CZ-CZ 3.41Å; F123-F145 VanDerWaalsContact CZ-CZ 3.41Å; F123-L156 HydrophobicContact CD1-CD1 4.15Å; F123-V256 HydrophobicContact CB-CG1 3.89Å; F123-F260 HydrophobicContact CB-CD2 3.42Å; F123-F260 VanDerWaalsContact CB-CD2 3.42Å; F123-F260 HydrophobicContact CB-CE2 3.55Å; F123-F260 HydrophobicContact CB-CG 4.2Å; F123-F260 HydrophobicContact CB-CZ 4.43Å; F123-F260 HydrophobicContact CD1-CB 3.79Å; F123-F260 AromaticContact CD1-CD1 3.94Å; F123-F260 HydrophobicContact CD1-CD1 3.94Å; F123-F260 AromaticContact CD1-CD2 3.67Å; F123-F260 HydrophobicContact CD1-CD2 3.67Å; F123-F260 HydrophobicContact CD1-CE1 4.43Å; F123-F260 HydrophobicContact CD1-CE2 4.17Å; F123-F260 AromaticContact CD1-CG 3.52Å; F123-F260 HydrophobicContact CD1-CG 3.52Å; F123-F260 HydrophobicContact CD2-CB 3.63Å; F123-F260 AromaticContact CD2-CD2 3.71Å; F123-F260 HydrophobicContact CD2-CD2 3.71Å; F123-F260 AromaticContact CD2-CG 3.92Å; F123-F260 HydrophobicContact CD2-CG 3.92Å; F123-F260 HydrophobicContact CE1-CB 3.63Å; F123-F260 HydrophobicContact CE1-CD1 4.19Å; F123-F260 HydrophobicContact CE1-CD2 4.39Å; F123-F260 AromaticContact CE1-CG 3.84Å; F123-F260 HydrophobicContact CE1-CG 3.84Å; F123-F260 HydrophobicContact CE2-CB 3.51Å; F123-F260 HydrophobicContact CE2-CD2 4.47Å; F123-F260 HydrophobicContact CE2-CG 4.25Å; F123-F260 HydrophobicContact CG-CB 3.8Å; F123-F260 HydrophobicContact CG-CD1 4.4Å; F123-F260 AromaticContact CG-CD2 3.28Å; F123-F260 HydrophobicContact CG-CD2 3.28Å; F123-F260 AromaticContact CG-CE2 3.88Å; F123-F260 HydrophobicContact CG-CE2 3.88Å; F123-F260 AromaticContact CG-CG 3.58Å; F123-F260 HydrophobicContact CG-CG 3.58Å; F123-F260 HydrophobicContact CZ-CB 3.54Å; F123-F260 HydrophobicContact CZ-CG 4.23Å; F123-F261 HydrophobicContact CE2-CD2 4.33Å; F123-F261 HydrophobicContact CE2-CE2 4.37Å |
| 124 | C | 93.8 | Very high | 91 | Very high | 13 Ų | 13 | 58.8 Ų | 58.8 | 9% | 0.088 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -78.9 | -36 | -173.2 | -70.2 | 0 | 0 | 0 | 0 | 113.5 | I120 E143 L156 | I120-C124 PolarHBondContact O-N 3.31Å; C124-E143 PolarHBondContact SG-OE2 3.41Å; C124-L156 VanDerWaalsContact SG-CD1 3.58Å |
| 125 | K | 92.5 | Very high | 90.2 | Very high | 103 Ų | 103 | 59.9 Ų | 59.9 | 45% | 0.448 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -115 | -4.6 | -169.8 | -59.6 | 170.2 | -173.3 | 151 | 0 | 113.3 | N121 A127 E141 | N121-K125 WeakPolarHBondContact O-CA 3.41Å; N121-K125 WeakPolarHBondContact O-CB 3.41Å; N121-K125 PolarHBondContact O-N 2.97Å; N121-K125 PolarHBondContact OD1-NZ 2.9Å; K125-A127 HydrophobicContact CB-CB 3.96Å; K125-A127 PolarHBondContact O-N 3.49Å; K125-E141 WeakPolarHBondContact CE-OE1 3.42Å; K125-E141 IonicContact NZ-OE1 2.7Å; K125-E141 PolarHBondContact NZ-OE1 3.21Å |
| 126 | D | 92.6 | Very high | 89.3 | Confident | 122 Ų | 122 | 66 Ų | 66 | 65% | 0.652 | 33% | 0.334 | S | S | * | . | S | Bend | trans | 48.1 | 38.6 | -168.8 | -164.3 | 19.9 | 0 | 0 | 0 | 112.7 | N121 R122 | N121-D126 PolarHBondContact O-N 3.37Å; R122-D126 IonicContact CZ-OD1 2.78Å; R122-D126 PolarHBondContact NH1-O 3.34Å; R122-D126 VanDerWaalsContact NH1-O 3.17Å; R122-D126 IonicContact NH1-OD1 2.79Å; R122-D126 PolarHBondContact NH1-OD1 3.46Å; R122-D126 VanDerWaalsContact O-CA 3.23Å; R122-D126 WeakPolarHBondContact O-CA 3.28Å; R122-D126 PolarHBondContact O-N 2.96Å |
| 127 | A | 91.6 | Very high | 88.4 | Confident | 45 Ų | 45 | 66 Ų | 66 | 37% | 0.372 | 34% | 0.338 | S | S | . | . | trans | -124.2 | 144.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | N121 R122 K125 | N121-A127 CarbonylContact C-O 3.45Å; N121-A127 PolarHBondContact O-N 2.92Å; R122-A127 WeakPolarHBondContact CA-O 3.44Å; R122-A127 PolarHBondContact N-O 2.91Å; K125-A127 HydrophobicContact CB-CB 3.96Å; K125-A127 PolarHBondContact O-N 3.49Å | ||
| 128 | F | 91.5 | Very high | 87.8 | Confident | 70 Ų | 70 | 66 Ų | 66 | 31% | 0.307 | 34% | 0.337 | S | S | . | . | trans | -136.6 | 122.8 | 174 | 178.3 | -96 | 0 | 0 | 0 | 109.8 | C118 K130 S250 L251 | C118-F128 HydrophobicContact CB-CD2 4.21Å; C118-F128 HydrophobicContact CB-CE2 4.12Å; F128-K130 HydrophobicContact CD1-CG 4.15Å; F128-K130 HydrophobicContact CE1-CB 4.48Å; F128-K130 HydrophobicContact CE1-CG 3.52Å; F128-K130 HydrophobicContact CZ-CG 4.48Å; F128-S250 WeakPolarHBondContact CD2-O 3.2Å; F128-L251 HydrophobicContact CD1-CD1 3.64Å; F128-L251 HydrophobicContact CE1-CB 4.27Å; F128-L251 HydrophobicContact CE1-CD1 3.38Å; F128-L251 HydrophobicContact CE1-CG 4.39Å; F128-L251 HydrophobicContact CE2-CB 4.28Å; F128-L251 HydrophobicContact CG-CD1 4.44Å; F128-L251 HydrophobicContact CZ-CB 4.06Å; F128-L251 HydrophobicContact CZ-CD1 4.03Å | ||
| 129 | D | 87.2 | Confident | 87.5 | Confident | 80 Ų | 80 | 68 Ų | 68 | 43% | 0.428 | 35% | 0.346 | S | S | . | . | trans | -105.8 | 122.4 | 174.5 | -170.3 | -6.6 | 0 | 0 | 0 | 108.8 | N131 K133 | D129-N131 VanDerWaalsContact C-N 3.27Å; D129-N131 WeakPolarHBondContact OD1-CB 3.33Å; D129-N131 PolarHBondContact OD1-N 3.3Å; D129-K133 IonicContact OD2-NZ 2.68Å | ||
| 130 | K | 83.3 | Confident | 87 | Confident | 169 Ų | 169 | 71.6 Ų | 71.6 | 74% | 0.735 | 36% | 0.361 | S | S | * | . | trans | -72.2 | -23.5 | 175.8 | -76.1 | 179.9 | -179.7 | -174.7 | 0 | 112.1 | F128 Y132 | F128-K130 HydrophobicContact CD1-CG 4.15Å; F128-K130 HydrophobicContact CE1-CB 4.48Å; F128-K130 HydrophobicContact CE1-CG 3.52Å; F128-K130 HydrophobicContact CZ-CG 4.48Å; K130-Y132 PolarHBondContact O-N 3.15Å; K130-Y132 VanDerWaalsContact O-N 3.11Å | ||
| 131 | N | 84.6 | Confident | 86.9 | Confident | 116 Ų | 116 | 73.8 Ų | 73.8 | 62% | 0.62 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -77 | 103.1 | -178.4 | -64.3 | -42.3 | 0 | 0 | 0 | 109.3 | D129 K133 | D129-N131 VanDerWaalsContact C-N 3.27Å; D129-N131 WeakPolarHBondContact OD1-CB 3.33Å; D129-N131 PolarHBondContact OD1-N 3.3Å; N131-K133 PolarHBondContact O-N 2.85Å |
| 132 | Y | 78 | Confident | 86.8 | Confident | 131 Ų | 131 | 75 Ų | 75 | 51% | 0.514 | 38% | 0.376 | S | S | . | . | trans | -58.1 | 124 | 176.7 | 174.3 | -102.1 | 0 | 0 | 0 | 111 | L112 A113 K130 A134 | L112-Y132 WeakPolarHBondContact CD1-OH 3.23Å; L112-Y132 WeakPolarHBondContact CG-OH 3.39Å; A113-Y132 HydrophobicContact CB-CD2 4.22Å; A113-Y132 HydrophobicContact CB-CE2 3.7Å; K130-Y132 PolarHBondContact O-N 3.15Å; K130-Y132 VanDerWaalsContact O-N 3.11Å; Y132-A134 HydrophobicContact CE1-CB 4.15Å; Y132-A134 WeakPolarHBondContact OH-CB 3.44Å | ||
| 133 | K | 79.8 | Confident | 86.7 | Confident | 141 Ų | 141 | 73.6 Ų | 73.6 | 61% | 0.613 | 37% | 0.372 | S | S | * | . | trans | -126.9 | 120.6 | 170.1 | -67.7 | 174 | -174.9 | 161.4 | 0 | 107.4 | D129 N131 T135 | D129-K133 IonicContact OD2-NZ 2.68Å; N131-K133 PolarHBondContact O-N 2.85Å; K133-T135 PolarHBondContact O-N 3.44Å | ||
| 134 | A | 80.1 | Confident | 86.5 | Confident | 49 Ų | 49 | 76.3 Ų | 76.3 | 41% | 0.405 | 38% | 0.382 | S | S | . | . | trans | -63.9 | 129 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110 | Y132 I136 | Y132-A134 HydrophobicContact CE1-CB 4.15Å; Y132-A134 WeakPolarHBondContact OH-CB 3.44Å; A134-I136 PolarHBondContact O-N 3.5Å | ||
| 135 | T | 77.9 | Confident | 86.5 | Confident | 26 Ų | 26 | 75.7 Ų | 75.7 | 16% | 0.16 | 38% | 0.378 | C | S | . | . | trans | -65.6 | 120.7 | 171.5 | -50.6 | 0 | 0 | 0 | 0 | 108.8 | T117 K133 D158 A160 | T117-T135 PolarHBondContact OG1-OG1 2.97Å; K133-T135 PolarHBondContact O-N 3.44Å; T135-D158 PolarHBondContact OG1-OD2 2.97Å; T135-A160 VanDerWaalsContact O-CB 3.23Å; T135-A160 WeakPolarHBondContact O-CB 3.15Å | ||
| 136 | I | 76.1 | Confident | 86.4 | Confident | 143 Ų | 143 | 74.1 Ų | 74.1 | 73% | 0.733 | 37% | 0.372 | S | S | * | . | trans | -96.1 | 113.2 | 174.8 | -60 | 173.2 | 0 | 0 | 0 | 106.8 | A134 | A134-I136 PolarHBondContact O-N 3.5Š| ||
| 137 | G | 75.9 | Confident | 86.3 | Confident | 11 Ų | 11 | 68.3 Ų | 68.3 | 11% | 0.113 | 34% | 0.341 | C | S | . | . | S | Bend | trans | 78.2 | -124 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A160 | G137-A160 VanDerWaalsContact O-CB 3.25Å; G137-A160 WeakPolarHBondContact O-CB 3.35Å; G137-A160 PolarHBondContact O-N 2.94Å |
| 138 | V | 83.3 | Confident | 86.2 | Confident | 36 Ų | 36 | 68.1 Ų | 68.1 | 22% | 0.218 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 134 | -174.7 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | W157 D158 A169 Y172 | V138-W157 HydrophobicContact CG1-CB 4.48Å; V138-W157 HydrophobicContact CG1-CE3 3.68Å; V138-W157 HydrophobicContact CG1-CZ3 4.39Å; V138-D158 CarbonylContact C-O 3.54Å; V138-D158 VanDerWaalsContact CA-O 3.24Å; V138-D158 WeakPolarHBondContact CA-O 3.48Å; V138-D158 WeakPolarHBondContact CG1-O 3.17Å; V138-A169 HydrophobicContact CG2-CB 4.34Å; V138-Y172 HydrophobicContact CB-CD2 4.16Å; V138-Y172 HydrophobicContact CB-CE2 4.34Å; V138-Y172 HydrophobicContact CB-CG 4.43Å; V138-Y172 HydrophobicContact CG1-CG 4.33Å; V138-Y172 HydrophobicContact CG2-CD2 3.51Å; V138-Y172 HydrophobicContact CG2-CE2 3.91Å; V138-Y172 HydrophobicContact CG2-CG 4.07Å |
| 139 | D | 88.1 | Confident | 85.9 | Confident | 79 Ų | 79 | 67.2 Ų | 67.2 | 42% | 0.422 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 156.9 | 172.7 | -157.2 | 2.6 | 0 | 0 | 0 | 110.3 | D158 | D139-D158 HydrophobicContact CB-CB 4.15Å; D139-D158 PolarHBondContact N-O 2.91Å; D139-D158 PolarHBondContact O-N 2.95Å |
| 140 | F | 87.9 | Confident | 85.9 | Confident | 76 Ų | 76 | 64 Ų | 64 | 33% | 0.333 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 128.4 | -172.3 | 171.6 | -93.6 | 0 | 0 | 0 | 111.2 | M142 Q155 L156 W157 | F140-M142 HydrophobicContact CE1-CB 4.08Å; F140-M142 HydrophobicContact CZ-CB 4.04Å; F140-M142 HydrophobicContact CZ-CE 3.93Å; F140-Q155 HydrophobicContact CE2-CB 3.7Å; F140-Q155 HydrophobicContact CE2-CG 3.67Å; F140-Q155 HydrophobicContact CZ-CB 4.34Å; F140-Q155 HydrophobicContact CZ-CG 3.88Å; F140-L156 WeakPolarHBondContact CA-O 3.49Å; F140-W157 AromaticContact CD2-CD2 3.97Å; F140-W157 HydrophobicContact CD2-CD2 3.97Å; F140-W157 AromaticContact CD2-CE2 3.67Å; F140-W157 HydrophobicContact CD2-CE3 4.35Å; F140-W157 HydrophobicContact CD2-CG 4.46Å; F140-W157 HydrophobicContact CD2-CH2 4.28Å; F140-W157 AromaticContact CD2-CZ2 3.86Å; F140-W157 HydrophobicContact CD2-CZ2 3.86Å; F140-W157 AromaticContact CD2-NE1 3.93Å; F140-W157 AromaticContact CE2-CE2 3.99Å; F140-W157 HydrophobicContact CE2-CZ2 4.07Å; F140-W157 AromaticContact CE2-NE1 3.96Å |
| 141 | E | 93.5 | Very high | 86.2 | Confident | 49 Ų | 49 | 58.9 Ų | 58.9 | 23% | 0.229 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 142.9 | 171.3 | -69.2 | -66.1 | 171.7 | 0 | 0 | 110.2 | I120 K125 L156 | I120-E141 HydrophobicContact CG2-CB 4.1Å; I120-E141 HydrophobicContact CG2-CG 3.97Å; K125-E141 WeakPolarHBondContact CE-OE1 3.42Å; K125-E141 IonicContact NZ-OE1 2.7Å; K125-E141 PolarHBondContact NZ-OE1 3.21Å; E141-L156 HydrophobicContact CB-CB 4.38Å; E141-L156 PolarHBondContact N-O 3.48Å; E141-L156 PolarHBondContact O-N 3.11Å |
| 142 | M | 93 | Very high | 86.5 | Confident | 66 Ų | 66 | 53.4 Ų | 53.4 | 33% | 0.325 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 117.8 | 175.4 | -178 | -179.7 | -70 | 0 | 0 | 109.7 | F101 F140 L154 Q155 | F101-M142 HydrophobicContact CE1-SD 4.44Å; F101-M142 HydrophobicContact CZ-SD 4.37Å; F140-M142 HydrophobicContact CE1-CB 4.08Å; F140-M142 HydrophobicContact CZ-CB 4.04Å; F140-M142 HydrophobicContact CZ-CE 3.93Å; M142-L154 WeakPolarHBondContact CA-O 3.49Å; M142-Q155 HydrophobicContact CE-CG 4.08Å |
| 143 | E | 94.2 | Very high | 87.2 | Confident | 15 Ų | 15 | 47.1 Ų | 47.1 | 7% | 0.07 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 131.3 | 175.5 | -166.7 | 73.6 | -165.4 | 0 | 0 | 110.7 | R62 F123 C124 F145 S153 L154 | R62-E143 IonicContact CZ-OE1 3.96Å; R62-E143 IonicContact NE-OE1 3.4Å; R62-E143 PolarHBondContact NE-OE1 3.45Å; R62-E143 IonicContact NH2-OE1 3.93Å; F123-E143 HydrophobicContact CE1-CB 3.97Å; F123-E143 HydrophobicContact CE1-CG 3.55Å; F123-E143 HydrophobicContact CZ-CG 3.89Å; C124-E143 PolarHBondContact SG-OE2 3.41Å; E143-F145 HydrophobicContact CB-CE2 3.89Å; E143-F145 HydrophobicContact CG-CD2 4.32Å; E143-F145 HydrophobicContact CG-CE2 3.66Å; E143-F145 HydrophobicContact CG-CZ 4Å; E143-S153 CarbonylContact O-C 3.55Å; E143-S153 VanDerWaalsContact O-CA 3.23Å; E143-S153 WeakPolarHBondContact O-CA 3.46Å; E143-L154 PolarHBondContact N-O 2.92Å; E143-L154 PolarHBondContact O-N 2.95Å |
| 144 | R | 92.3 | Very high | 88 | Confident | 62 Ų | 62 | 40.4 Ų | 40.4 | 23% | 0.234 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 137.8 | 178 | -56.4 | -164 | 176.1 | 114.1 | 10.1 | 111.7 | V58 R62 F101 S153 | V58-R144 HydrophobicContact CG2-CB 4.4Å; R62-R144 WeakPolarHBondContact CB-O 3.39Å; F101-R144 HydrophobicContact CZ-CG 4.36Å; R144-S153 WeakPolarHBondContact CG-OG 3.46Å |
| 145 | F | 92.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 162.1 | 177.1 | -63.1 | -99 | 0 | 0 | 0 | 110.6 | R62 I64 F123 E143 V147 F152 L154 F261 A264 | R62-F145 HydrophobicContact CB-CD1 4.26Å; R62-F145 VanDerWaalsContact O-CA 3.32Å; R62-F145 WeakPolarHBondContact O-CA 3.37Å; I64-F145 HydrophobicContact CD1-CD1 3.86Å; I64-F145 HydrophobicContact CD1-CE1 4.29Å; I64-F145 HydrophobicContact CG1-CD1 4.38Å; F123-F145 HydrophobicContact CE1-CE2 4.44Å; F123-F145 AromaticContact CE1-CZ 3.84Å; F123-F145 HydrophobicContact CE1-CZ 3.84Å; F123-F145 AromaticContact CZ-CE1 3.95Å; F123-F145 HydrophobicContact CZ-CE1 3.95Å; F123-F145 HydrophobicContact CZ-CE2 4.36Å; F123-F145 AromaticContact CZ-CZ 3.41Å; F123-F145 HydrophobicContact CZ-CZ 3.41Å; F123-F145 VanDerWaalsContact CZ-CZ 3.41Å; E143-F145 HydrophobicContact CB-CE2 3.89Å; E143-F145 HydrophobicContact CG-CD2 4.32Å; E143-F145 HydrophobicContact CG-CE2 3.66Å; E143-F145 HydrophobicContact CG-CZ 4Å; F145-V147 HydrophobicContact CB-CG2 4.16Å; F145-F152 HydrophobicContact CB-CB 4.49Å; F145-F152 HydrophobicContact CB-CD1 4.45Å; F145-F152 PolarHBondContact N-O 3.23Å; F145-F152 PolarHBondContact O-N 3.26Å; F145-L154 HydrophobicContact CD2-CG 4.29Å; F145-L154 HydrophobicContact CE2-CB 4.25Å; F145-L154 HydrophobicContact CE2-CD1 3.74Å; F145-L154 HydrophobicContact CE2-CG 3.75Å; F145-L154 HydrophobicContact CZ-CD1 4.09Å; F145-F261 HydrophobicContact CE1-CD2 4.05Å; F145-F261 HydrophobicContact CE1-CE2 4.13Å; F145-A264 HydrophobicContact CD1-CB 3.93Å; F145-A264 HydrophobicContact CD2-CB 4.04Å; F145-A264 HydrophobicContact CE1-CB 3.74Å; F145-A264 HydrophobicContact CE2-CB 3.89Å; F145-A264 HydrophobicContact CG-CB 4.04Å; F145-A264 HydrophobicContact CZ-CB 3.69Å |
| 146 | E | 91.3 | Very high | 89.6 | Confident | 70 Ų | 70 | 38.9 Ų | 38.9 | 33% | 0.327 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 113.1 | 163.2 | -174.4 | -176.7 | 121 | 0 | 0 | 107.4 | V58 R62 V63 I64 V150 | V58-E146 HydrophobicContact CG1-CB 4.17Å; V58-E146 HydrophobicContact CG2-CB 4.48Å; R62-E146 PolarHBondContact O-N 3.49Å; V63-E146 CarbonylContact C-O 3.54Å; V63-E146 WeakPolarHBondContact CA-O 3.33Å; V63-E146 HydrophobicContact CG2-CB 4.3Å; I64-E146 PolarHBondContact N-O 3.35Å; E146-V150 WeakPolarHBondContact CA-O 3.27Å |
| 147 | V | 90.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 119 | -177.9 | -171.4 | 0 | 0 | 0 | 0 | 108.1 | I64 F83 F145 G149 V150 F152 F268 | I64-V147 HydrophobicContact CB-CB 4.5Å; I64-V147 HydrophobicContact CB-CG1 4.25Å; I64-V147 HydrophobicContact CB-CG2 4.22Å; I64-V147 HydrophobicContact CD1-CG2 4.19Å; I64-V147 HydrophobicContact CG1-CG2 4.49Å; I64-V147 HydrophobicContact CG2-CG1 4.29Å; I64-V147 WeakPolarHBondContact O-CA 3.46Å; F83-V147 HydrophobicContact CE1-CG1 4.09Å; F83-V147 HydrophobicContact CE2-CG1 4.43Å; F83-V147 HydrophobicContact CZ-CG1 3.63Å; F145-V147 HydrophobicContact CB-CG2 4.16Å; V147-G149 PolarHBondContact O-N 3.38Å; V147-V150 PolarHBondContact N-O 3.24Å; V147-V150 WeakPolarHBondContact O-CB 3.26Å; V147-V150 PolarHBondContact O-N 3.37Å; V147-F152 HydrophobicContact CG2-CB 4.07Å; V147-F152 HydrophobicContact CG2-CD1 4.12Å; V147-F152 HydrophobicContact CG2-CG 4.43Å; V147-F268 HydrophobicContact CB-CB 4.37Å; V147-F268 HydrophobicContact CB-CD1 3.92Å; V147-F268 HydrophobicContact CB-CD2 4.07Å; V147-F268 HydrophobicContact CB-CE1 4.17Å; V147-F268 HydrophobicContact CB-CE2 4.31Å; V147-F268 HydrophobicContact CB-CG 3.85Å; V147-F268 HydrophobicContact CB-CZ 4.36Å; V147-F268 HydrophobicContact CG1-CB 4.2Å; V147-F268 HydrophobicContact CG1-CD1 3.45Å; V147-F268 VanDerWaalsContact CG1-CD1 3.45Å; V147-F268 HydrophobicContact CG1-CD2 4.48Å; V147-F268 HydrophobicContact CG1-CE1 3.86Å; V147-F268 HydrophobicContact CG1-CG 3.79Å; V147-F268 HydrophobicContact CG2-CB 4.3Å; V147-F268 HydrophobicContact CG2-CD2 4.48Å; V147-F268 HydrophobicContact CG2-CG 4.27Å |
| 148 | L | 88.6 | Confident | 91.2 | Very high | 42 Ų | 42 | 34.1 Ų | 34.1 | 22% | 0.22 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 36.5 | -175.1 | -58.6 | 176.9 | 0 | 0 | 0 | 113.5 | I64 A65 F83 V87 R88 C91 V150 F268 | I64-L148 PolarHBondContact O-N 3.04Å; A65-L148 WeakPolarHBondContact O-CD2 3.47Å; F83-L148 HydrophobicContact CB-CD1 4.24Å; F83-L148 HydrophobicContact CD1-CD1 4.4Å; F83-L148 HydrophobicContact CD2-CD1 3.86Å; F83-L148 HydrophobicContact CD2-CD2 3.79Å; F83-L148 HydrophobicContact CD2-CG 4.01Å; F83-L148 HydrophobicContact CE2-CD1 4.25Å; F83-L148 HydrophobicContact CE2-CD2 3.88Å; F83-L148 HydrophobicContact CE2-CG 3.98Å; F83-L148 HydrophobicContact CG-CD1 3.93Å; F83-L148 HydrophobicContact CZ-CG 4.5Å; V87-L148 HydrophobicContact CG1-CD1 4.2Å; R88-L148 HydrophobicContact CG-CD1 4.33Å; C91-L148 HydrophobicContact CB-CB 4.12Å; L148-V150 VanDerWaalsContact C-N 3.26Å; L148-V150 PolarHBondContact O-N 2.94Å; L148-F268 HydrophobicContact CD1-CE1 4.37Å |
| 149 | G | 86 | Confident | 91.5 | Very high | 51 Ų | 51 | 32.4 Ų | 32.4 | 53% | 0.526 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | 3.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | V147 | V147-G149 PolarHBondContact O-N 3.38Š|
| 150 | V | 86.9 | Confident | 91.2 | Very high | 11 Ų | 11 | 28.7 Ų | 28.7 | 7% | 0.067 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 128 | -179.5 | -176.6 | 0 | 0 | 0 | 0 | 110.2 | C91 T96 V99 E146 V147 L148 F152 F268 | C91-V150 HydrophobicContact CB-CG2 4.18Å; T96-V150 HydrophobicContact CG2-CG2 4.48Å; V99-V150 HydrophobicContact CG1-CG1 3.93Å; E146-V150 WeakPolarHBondContact CA-O 3.27Å; V147-V150 PolarHBondContact N-O 3.24Å; V147-V150 WeakPolarHBondContact O-CB 3.26Å; V147-V150 PolarHBondContact O-N 3.37Å; L148-V150 VanDerWaalsContact C-N 3.26Å; L148-V150 PolarHBondContact O-N 2.94Å; V150-F152 PolarHBondContact O-N 3.47Å; V150-F268 HydrophobicContact CB-CE2 3.92Å; V150-F268 HydrophobicContact CB-CZ 3.92Å; V150-F268 HydrophobicContact CG1-CE2 3.91Å; V150-F268 HydrophobicContact CG1-CZ 4.28Å; V150-F268 HydrophobicContact CG2-CZ 4.23Å |
| 151 | P | 89.2 | Confident | 90.5 | Very high | 63 Ų | 63 | 25.4 Ų | 25.4 | 41% | 0.409 | 14% | 0.138 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 127.3 | 173.6 | -23.6 | 33.9 | 0 | 0 | 0 | 112.3 | F101 K102 | F101-P151 HydrophobicContact CD2-CB 4.45Å; K102-P151 PolarHBondContact N-O 3.02Å |
| 152 | F | 91.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 154.3 | 179.8 | -179.8 | -117 | 0 | 0 | 0 | 110.3 | K102 S104 F145 V147 V150 L154 A264 A267 F268 | K102-F152 HydrophobicContact CB-CD2 3.65Å; K102-F152 HydrophobicContact CB-CE2 4.22Å; K102-F152 CarbonylContact O-C 3.58Å; K102-F152 WeakPolarHBondContact O-CA 3.45Å; K102-F152 VanDerWaalsContact O-CD2 3.25Å; K102-F152 WeakPolarHBondContact O-CD2 3.15Å; S104-F152 WeakPolarHBondContact OG-CZ 3.2Å; F145-F152 HydrophobicContact CB-CB 4.49Å; F145-F152 HydrophobicContact CB-CD1 4.45Å; F145-F152 PolarHBondContact N-O 3.23Å; F145-F152 PolarHBondContact O-N 3.26Å; V147-F152 HydrophobicContact CG2-CB 4.07Å; V147-F152 HydrophobicContact CG2-CD1 4.12Å; V147-F152 HydrophobicContact CG2-CG 4.43Å; V150-F152 PolarHBondContact O-N 3.47Å; F152-L154 HydrophobicContact CE1-CD2 3.47Å; F152-L154 VanDerWaalsContact CE1-CD2 3.47Å; F152-L154 HydrophobicContact CE1-CG 4.13Å; F152-L154 HydrophobicContact CZ-CD2 3.71Å; F152-A264 HydrophobicContact CD1-CB 4.39Å; F152-A264 HydrophobicContact CE1-CB 4.17Å; F152-A264 WeakPolarHBondContact CE1-O 3.36Å; F152-A267 HydrophobicContact CE1-CB 4.34Å; F152-A267 HydrophobicContact CZ-CB 3.88Å; F152-F268 HydrophobicContact CB-CD2 4.01Å; F152-F268 HydrophobicContact CD1-CB 4.14Å; F152-F268 HydrophobicContact CD2-CB 4.31Å; F152-F268 AromaticContact CD2-CD2 3.9Å; F152-F268 HydrophobicContact CD2-CD2 3.9Å; F152-F268 HydrophobicContact CE1-CB 4.12Å; F152-F268 HydrophobicContact CE2-CB 4.32Å; F152-F268 HydrophobicContact CG-CB 4.22Å; F152-F268 AromaticContact CG-CD2 3.93Å; F152-F268 HydrophobicContact CG-CD2 3.93Å; F152-F268 HydrophobicContact CZ-CB 4.2Å |
| 153 | S | 93.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 140.7 | 177.4 | -68.2 | 0 | 0 | 0 | 0 | 112.8 | F101 K102 I103 S104 E143 R144 | F101-S153 WeakPolarHBondContact CE1-OG 3.4Å; F101-S153 WeakPolarHBondContact CE2-OG 3.39Å; F101-S153 WeakPolarHBondContact CZ-OG 3.46Å; K102-S153 PolarHBondContact O-N 2.8Å; I103-S153 CarbonylContact C-O 3.53Å; I103-S153 VanDerWaalsContact CA-O 3.3Å; I103-S153 WeakPolarHBondContact CA-O 3.34Å; S104-S153 PolarHBondContact N-O 3.14Å; E143-S153 CarbonylContact O-C 3.55Å; E143-S153 VanDerWaalsContact O-CA 3.23Å; E143-S153 WeakPolarHBondContact O-CA 3.46Å; R144-S153 WeakPolarHBondContact CG-OG 3.46Å |
| 154 | L | 96 | Very high | 86.7 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 130 | 169.8 | -63.5 | -174.3 | 0 | 0 | 0 | 109.3 | S104 V106 M142 E143 F145 F152 L156 V263 A264 A267 | S104-L154 WeakPolarHBondContact O-CA 3.26Å; V106-L154 HydrophobicContact CG2-CB 4.29Å; V106-L154 HydrophobicContact CG2-CD1 4.44Å; V106-L154 HydrophobicContact CG2-CD2 3.88Å; V106-L154 HydrophobicContact CG2-CG 4.44Å; M142-L154 WeakPolarHBondContact CA-O 3.49Å; E143-L154 PolarHBondContact N-O 2.92Å; E143-L154 PolarHBondContact O-N 2.95Å; F145-L154 HydrophobicContact CD2-CG 4.29Å; F145-L154 HydrophobicContact CE2-CB 4.25Å; F145-L154 HydrophobicContact CE2-CD1 3.74Å; F145-L154 HydrophobicContact CE2-CG 3.75Å; F145-L154 HydrophobicContact CZ-CD1 4.09Å; F152-L154 HydrophobicContact CE1-CD2 3.47Å; F152-L154 VanDerWaalsContact CE1-CD2 3.47Å; F152-L154 HydrophobicContact CE1-CG 4.13Å; F152-L154 HydrophobicContact CZ-CD2 3.71Å; L154-L156 HydrophobicContact CB-CD2 4Å; L154-L156 HydrophobicContact CB-CG 4.42Å; L154-L156 HydrophobicContact CD1-CD2 4.37Å; L154-V263 HydrophobicContact CD1-CG1 4.11Å; L154-A264 HydrophobicContact CD1-CB 3.9Å; L154-A264 HydrophobicContact CG-CB 4.29Å; L154-A267 HydrophobicContact CD2-CB 4.37Å |
| 155 | Q | 95.7 | Very high | 85.6 | Confident | 43 Ų | 43 | 35 Ų | 35 | 20% | 0.201 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 105.1 | 164.9 | -75.7 | -175.4 | 15.4 | 0 | 0 | 108 | I103 S104 V106 F140 M142 | I103-Q155 HydrophobicContact CG2-CB 4.45Å; I103-Q155 HydrophobicContact CG2-CG 3.56Å; S104-Q155 PolarHBondContact O-N 3.46Å; V106-Q155 PolarHBondContact N-O 2.75Å; V106-Q155 VanDerWaalsContact O-O 3.04Å; F140-Q155 HydrophobicContact CE2-CB 3.7Å; F140-Q155 HydrophobicContact CE2-CG 3.67Å; F140-Q155 HydrophobicContact CZ-CB 4.34Å; F140-Q155 HydrophobicContact CZ-CG 3.88Å; M142-Q155 HydrophobicContact CE-CG 4.08Å |
| 156 | L | 96.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 113.3 | -178.9 | -54.9 | 179.1 | 0 | 0 | 0 | 109.3 | V106 I120 F123 C124 F140 E141 L154 F260 | V106-L156 HydrophobicContact CB-CD2 3.85Å; V106-L156 HydrophobicContact CG1-CD2 4.1Å; V106-L156 HydrophobicContact CG2-CD2 4.06Å; I120-L156 HydrophobicContact CG2-CB 4.37Å; I120-L156 HydrophobicContact CG2-CD1 4.12Å; F123-L156 HydrophobicContact CD1-CD1 4.15Å; C124-L156 VanDerWaalsContact SG-CD1 3.58Å; F140-L156 WeakPolarHBondContact CA-O 3.49Å; E141-L156 HydrophobicContact CB-CB 4.38Å; E141-L156 PolarHBondContact N-O 3.48Å; E141-L156 PolarHBondContact O-N 3.11Å; L154-L156 HydrophobicContact CB-CD2 4Å; L154-L156 HydrophobicContact CB-CG 4.42Å; L154-L156 HydrophobicContact CD1-CD2 4.37Å; L156-F260 HydrophobicContact CD1-CE1 4.14Å; L156-F260 HydrophobicContact CD2-CD1 4.31Å; L156-F260 HydrophobicContact CD2-CE1 3.88Å |
| 157 | W | 94.4 | Very high | 83.3 | Confident | 48 Ų | 48 | 38.9 Ų | 38.9 | 18% | 0.182 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 106.3 | 178 | -65.2 | 80.1 | 0 | 0 | 0 | 109.5 | V106 I107 V108 V138 F140 Y172 | V106-W157 PolarHBondContact O-N 2.96Å; I107-W157 HydrophobicContact CG2-CB 4.09Å; I107-W157 HydrophobicContact CG2-CG 4.48Å; V108-W157 PolarHBondContact N-O 3.18Å; V138-W157 HydrophobicContact CG1-CB 4.48Å; V138-W157 HydrophobicContact CG1-CE3 3.68Å; V138-W157 HydrophobicContact CG1-CZ3 4.39Å; F140-W157 AromaticContact CD2-CD2 3.97Å; F140-W157 HydrophobicContact CD2-CD2 3.97Å; F140-W157 AromaticContact CD2-CE2 3.67Å; F140-W157 HydrophobicContact CD2-CE3 4.35Å; F140-W157 HydrophobicContact CD2-CG 4.46Å; F140-W157 HydrophobicContact CD2-CH2 4.28Å; F140-W157 AromaticContact CD2-CZ2 3.86Å; F140-W157 HydrophobicContact CD2-CZ2 3.86Å; F140-W157 AromaticContact CD2-NE1 3.93Å; F140-W157 AromaticContact CE2-CE2 3.99Å; F140-W157 HydrophobicContact CE2-CZ2 4.07Å; F140-W157 AromaticContact CE2-NE1 3.96Å; W157-Y172 AromaticContact CE3-CD1 3.98Å; W157-Y172 HydrophobicContact CE3-CD1 3.98Å; W157-Y172 HydrophobicContact CE3-CG 4.45Å; W157-Y172 HydrophobicContact CH2-CD1 4.15Å; W157-Y172 AromaticContact CZ3-CD1 3.42Å; W157-Y172 HydrophobicContact CZ3-CD1 3.42Å; W157-Y172 VanDerWaalsContact CZ3-CD1 3.42Å; W157-Y172 AromaticContact CZ3-CE1 3.96Å; W157-Y172 HydrophobicContact CZ3-CE1 3.96Å; W157-Y172 HydrophobicContact CZ3-CG 4.3Å |
| 158 | D | 91.9 | Very high | 82.5 | Confident | 5 Ų | 5 | 42.9 Ų | 42.9 | 3% | 0.027 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 121 | 174.9 | -172.9 | 29.4 | 0 | 0 | 0 | 109.9 | K116 T117 I120 T135 V138 D139 | K116-D158 WeakPolarHBondContact CB-OD1 3.27Å; T117-D158 WeakPolarHBondContact CA-OD2 3.19Å; T117-D158 VanDerWaalsContact CB-OD2 3.23Å; T117-D158 WeakPolarHBondContact CB-OD2 3.07Å; T117-D158 WeakPolarHBondContact CG2-OD2 3.33Å; T117-D158 PolarHBondContact N-OD1 3.38Å; T117-D158 PolarHBondContact OG1-OD1 2.76Å; T117-D158 PolarHBondContact OG1-OD2 3.41Å; I120-D158 HydrophobicContact CD1-CB 3.52Å; T135-D158 PolarHBondContact OG1-OD2 2.97Å; V138-D158 CarbonylContact C-O 3.54Å; V138-D158 VanDerWaalsContact CA-O 3.24Å; V138-D158 WeakPolarHBondContact CA-O 3.48Å; V138-D158 WeakPolarHBondContact CG1-O 3.17Å; D139-D158 HydrophobicContact CB-CB 4.15Å; D139-D158 PolarHBondContact N-O 2.91Å; D139-D158 PolarHBondContact O-N 2.95Å |
| 159 | T | 88.1 | Confident | 81.9 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 145.7 | -175.2 | 69.7 | 0 | 0 | 0 | 0 | 111.4 | V108 V109 K116 G161 Y173 | V108-T159 WeakPolarHBondContact O-CB 3.34Å; V108-T159 WeakPolarHBondContact O-CG2 3.31Å; V108-T159 PolarHBondContact O-N 3.31Å; V108-T159 PolarHBondContact O-OG1 3.28Å; V109-T159 HydrophobicContact CG1-CG2 4.45Å; K116-T159 WeakPolarHBondContact CE-O 3.21Å; T159-G161 PolarHBondContact O-N 3.06Å; T159-Y173 HydrophobicContact CG2-CE1 3.81Å |
| 160 | A | 81.9 | Confident | 81.5 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | trans | -61.4 | 126.2 | 170 | 0 | 0 | 0 | 0 | 0 | 110.9 | T135 G137 Q162 F165 | T135-A160 VanDerWaalsContact O-CB 3.23Å; T135-A160 WeakPolarHBondContact O-CB 3.15Å; G137-A160 VanDerWaalsContact O-CB 3.25Å; G137-A160 WeakPolarHBondContact O-CB 3.35Å; G137-A160 PolarHBondContact O-N 2.94Å; A160-Q162 VanDerWaalsContact C-N 3.27Å; A160-Q162 PolarHBondContact O-N 3.45Å; A160-F165 HydrophobicContact CB-CB 3.86Å; A160-F165 HydrophobicContact CB-CD2 4.19Å; A160-F165 HydrophobicContact CB-CG 4.43Å | ||
| 161 | G | 73.6 | Confident | 81.3 | Confident | 6 Ų | 6 | 44.6 Ų | 44.6 | 6% | 0.062 | 23% | 0.227 | C | C | . | . | trans | -81.5 | 0.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | G110 L112 K116 T159 | G110-G161 VanDerWaalsContact O-CA 3.27Å; G110-G161 WeakPolarHBondContact O-CA 3.43Å; L112-G161 PolarHBondContact N-O 3.33Å; L112-G161 VanDerWaalsContact N-O 3.14Å; K116-G161 VanDerWaalsContact NZ-CA 3.3Å; T159-G161 PolarHBondContact O-N 3.06Å | ||
| 162 | Q | 73.4 | Confident | 81.2 | Confident | 37 Ų | 37 | 46 Ų | 46 | 17% | 0.173 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -87.5 | 130.6 | 179.7 | -172.7 | 169 | 74 | 0 | 0 | 110.1 | L112 A160 R164 F165 | L112-Q162 HydrophobicContact CD1-CB 4.15Å; A160-Q162 VanDerWaalsContact C-N 3.27Å; A160-Q162 PolarHBondContact O-N 3.45Å; Q162-R164 HydrophobicContact CG-CB 4.31Å; Q162-R164 HydrophobicContact CG-CG 4.46Å; Q162-R164 PolarHBondContact O-N 3.25Å; Q162-R164 VanDerWaalsContact O-N 3.13Å; Q162-F165 HydrophobicContact CB-CD2 3.98Å; Q162-F165 HydrophobicContact CB-CE2 4.49Å; Q162-F165 HydrophobicContact CG-CD2 4.49Å; Q162-F165 PolarHBondContact O-N 2.85Å |
| 163 | E | 63.8 | Low | 81.1 | Confident | 123 Ų | 123 | 46.2 Ų | 46.2 | 58% | 0.575 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -55.8 | -34.1 | -177.2 | 64.6 | -68.7 | 149.1 | 0 | 0 | 113.4 | F165 K166 | E163-F165 PolarHBondContact O-N 2.9Å; E163-F165 VanDerWaalsContact O-N 3.14Å; E163-K166 HydrophobicContact CB-CD 4.1Å; E163-K166 VanDerWaalsContact O-CB 3.32Å; E163-K166 WeakPolarHBondContact O-CB 3.1Å; E163-K166 PolarHBondContact O-N 2.86Å |
| 164 | R | 64.4 | Low | 81 | Confident | 178 Ų | 178 | 55 Ų | 55 | 67% | 0.672 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -62.8 | -19.3 | 177.6 | -58.9 | -172.8 | -59.5 | -177 | 0.4 | 114.1 | Q162 | Q162-R164 HydrophobicContact CG-CB 4.31Å; Q162-R164 HydrophobicContact CG-CG 4.46Å; Q162-R164 PolarHBondContact O-N 3.25Å; Q162-R164 VanDerWaalsContact O-N 3.13Å |
| 165 | F | 68.1 | Low | 80.7 | Confident | 57 Ų | 57 | 57.2 Ų | 57.2 | 25% | 0.25 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -107 | 3.2 | 177.6 | -58.1 | -54.9 | 0 | 0 | 0 | 113.1 | A160 Q162 E163 C167 I168 A169 | A160-F165 HydrophobicContact CB-CB 3.86Å; A160-F165 HydrophobicContact CB-CD2 4.19Å; A160-F165 HydrophobicContact CB-CG 4.43Å; Q162-F165 HydrophobicContact CB-CD2 3.98Å; Q162-F165 HydrophobicContact CB-CE2 4.49Å; Q162-F165 HydrophobicContact CG-CD2 4.49Å; Q162-F165 PolarHBondContact O-N 2.85Å; E163-F165 PolarHBondContact O-N 2.9Å; E163-F165 VanDerWaalsContact O-N 3.14Å; F165-C167 VanDerWaalsContact C-N 3.33Å; F165-C167 PolarHBondContact O-N 3.31Å; F165-I168 HydrophobicContact CD1-CD1 4.18Å; F165-I168 WeakPolarHBondContact O-CB 3.32Å; F165-I168 PolarHBondContact O-N 3.19Å; F165-A169 PolarHBondContact O-N 3.12Å |
| 166 | K | 68.1 | Low | 80.6 | Confident | 55 Ų | 55 | 55.4 Ų | 55.4 | 24% | 0.239 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -56.8 | -41.4 | -179.3 | -82.2 | 177.3 | 176.5 | -165.2 | 0 | 113.1 | E163 I168 A169 S170 W197 D200 | E163-K166 HydrophobicContact CB-CD 4.1Å; E163-K166 VanDerWaalsContact O-CB 3.32Å; E163-K166 WeakPolarHBondContact O-CB 3.1Å; E163-K166 PolarHBondContact O-N 2.86Å; K166-I168 PolarHBondContact O-N 2.94Å; K166-A169 PolarHBondContact O-N 2.98Å; K166-S170 WeakPolarHBondContact O-CB 3.09Å; K166-S170 PolarHBondContact O-N 2.81Å; K166-S170 PolarHBondContact O-OG 2.74Å; K166-W197 HydrophobicContact CD-CH2 4.07Å; K166-W197 HydrophobicContact CD-CZ3 4.28Å; K166-W197 HydrophobicContact CG-CH2 3.71Å; K166-W197 HydrophobicContact CG-CZ3 3.89Å; K166-D200 IonicContact NZ-OD2 3.34Å |
| 167 | C | 68.8 | Low | 80.6 | Confident | 96 Ų | 96 | 58 Ų | 58 | 65% | 0.649 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -63.1 | -30.3 | 177.6 | -61.8 | 0 | 0 | 0 | 0 | 112.9 | F165 S170 T171 | F165-C167 VanDerWaalsContact C-N 3.33Å; F165-C167 PolarHBondContact O-N 3.31Å; C167-S170 PolarHBondContact O-OG 3.34Å; C167-S170 VanDerWaalsContact O-OG 3.13Å; C167-T171 PolarHBondContact O-OG1 2.86Å |
| 168 | I | 73.2 | Confident | 80.7 | Confident | 84 Ų | 84 | 55.8 Ų | 55.8 | 43% | 0.431 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -75.6 | -44.9 | 176.1 | -59 | 177.1 | 0 | 0 | 0 | 109 | F165 K166 Y172 | F165-I168 HydrophobicContact CD1-CD1 4.18Å; F165-I168 WeakPolarHBondContact O-CB 3.32Å; F165-I168 PolarHBondContact O-N 3.19Å; K166-I168 PolarHBondContact O-N 2.94Å; I168-Y172 HydrophobicContact CG2-CE2 4.3Å; I168-Y172 WeakPolarHBondContact O-CD2 3.39Å; I168-Y172 WeakPolarHBondContact O-CE2 3.31Å |
| 169 | A | 75.4 | Confident | 80.9 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.6 | -40.1 | 180 | 0 | 0 | 0 | 0 | 0 | 112.8 | V138 F165 K166 T171 Y172 Y173 | V138-A169 HydrophobicContact CG2-CB 4.34Å; F165-A169 PolarHBondContact O-N 3.12Å; K166-A169 PolarHBondContact O-N 2.98Å; A169-T171 PolarHBondContact O-N 3.22Å; A169-Y172 WeakPolarHBondContact O-CB 3.36Å; A169-Y172 PolarHBondContact O-N 3.3Å; A169-Y173 HydrophobicContact CB-CE1 4.06Å; A169-Y173 VanDerWaalsContact O-CD1 3.23Å; A169-Y173 WeakPolarHBondContact O-CD1 3.41Å; A169-Y173 VanDerWaalsContact O-CE1 3.3Å; A169-Y173 WeakPolarHBondContact O-CE1 3.18Å |
| 170 | S | 78.7 | Confident | 81.4 | Confident | 33 Ų | 33 | 55.5 Ų | 55.5 | 23% | 0.231 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61 | -32 | -176.5 | 63.8 | 0 | 0 | 0 | 0 | 113.3 | K166 C167 Y172 Y173 | K166-S170 WeakPolarHBondContact O-CB 3.09Å; K166-S170 PolarHBondContact O-N 2.81Å; K166-S170 PolarHBondContact O-OG 2.74Å; C167-S170 PolarHBondContact O-OG 3.34Å; C167-S170 VanDerWaalsContact O-OG 3.13Å; S170-Y172 PolarHBondContact O-N 3.25Å; S170-Y172 VanDerWaalsContact O-N 3.11Å; S170-Y173 WeakPolarHBondContact O-CB 3.45Å; S170-Y173 PolarHBondContact O-N 3Å |
| 171 | T | 82.9 | Confident | 82.1 | Confident | 106 Ų | 106 | 55.5 Ų | 55.5 | 65% | 0.65 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -25.6 | 174.9 | -54.4 | 0 | 0 | 0 | 0 | 112.1 | C167 A169 | C167-T171 PolarHBondContact O-OG1 2.86Å; A169-T171 PolarHBondContact O-N 3.22Å |
| 172 | Y | 86.1 | Confident | 83.3 | Confident | 94 Ų | 94 | 55.2 Ų | 55.2 | 37% | 0.369 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -5.5 | 179.3 | -60.7 | -86.3 | 0 | 0 | 0 | 113.6 | K105 V138 W157 I168 A169 S170 | K105-Y172 WeakPolarHBondContact CE-O 3.23Å; K105-Y172 PolarHBondContact NZ-O 2.95Å; V138-Y172 HydrophobicContact CB-CD2 4.16Å; V138-Y172 HydrophobicContact CB-CE2 4.34Å; V138-Y172 HydrophobicContact CB-CG 4.43Å; V138-Y172 HydrophobicContact CG1-CG 4.33Å; V138-Y172 HydrophobicContact CG2-CD2 3.51Å; V138-Y172 HydrophobicContact CG2-CE2 3.91Å; V138-Y172 HydrophobicContact CG2-CG 4.07Å; W157-Y172 AromaticContact CE3-CD1 3.98Å; W157-Y172 HydrophobicContact CE3-CD1 3.98Å; W157-Y172 HydrophobicContact CE3-CG 4.45Å; W157-Y172 HydrophobicContact CH2-CD1 4.15Å; W157-Y172 AromaticContact CZ3-CD1 3.42Å; W157-Y172 HydrophobicContact CZ3-CD1 3.42Å; W157-Y172 VanDerWaalsContact CZ3-CD1 3.42Å; W157-Y172 AromaticContact CZ3-CE1 3.96Å; W157-Y172 HydrophobicContact CZ3-CE1 3.96Å; W157-Y172 HydrophobicContact CZ3-CG 4.3Å; I168-Y172 HydrophobicContact CG2-CE2 4.3Å; I168-Y172 WeakPolarHBondContact O-CD2 3.39Å; I168-Y172 WeakPolarHBondContact O-CE2 3.31Å; A169-Y172 WeakPolarHBondContact O-CB 3.36Å; A169-Y172 PolarHBondContact O-N 3.3Å; S170-Y172 PolarHBondContact O-N 3.25Å; S170-Y172 VanDerWaalsContact O-N 3.11Å |
| 173 | Y | 90 | Very high | 84.5 | Confident | 3 Ų | 3 | 53.5 Ų | 53.5 | 1% | 0.012 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -30.1 | -177 | -66.6 | -3.4 | 0 | 0 | 0 | 112.8 | I107 V109 T159 A169 S170 G175 A176 A201 N205 | I107-Y173 HydrophobicContact CD1-CD1 3.74Å; I107-Y173 HydrophobicContact CD1-CE1 4.37Å; I107-Y173 HydrophobicContact CD1-CG 3.82Å; V109-Y173 HydrophobicContact CG1-CE1 3.93Å; V109-Y173 HydrophobicContact CG1-CE2 4.48Å; T159-Y173 HydrophobicContact CG2-CE1 3.81Å; A169-Y173 HydrophobicContact CB-CE1 4.06Å; A169-Y173 VanDerWaalsContact O-CD1 3.23Å; A169-Y173 WeakPolarHBondContact O-CD1 3.41Å; A169-Y173 VanDerWaalsContact O-CE1 3.3Å; A169-Y173 WeakPolarHBondContact O-CE1 3.18Å; S170-Y173 WeakPolarHBondContact O-CB 3.45Å; S170-Y173 PolarHBondContact O-N 3Å; Y173-G175 PolarHBondContact O-N 3.28Å; Y173-A176 WeakPolarHBondContact O-CB 3.36Å; Y173-A176 PolarHBondContact O-N 2.97Å; Y173-A201 HydrophobicContact CD2-CB 4.36Å; Y173-N205 PolarHBondContact O-ND2 3.4Å; Y173-N205 PolarHBondContact O-OD1 2.94Å |
| 174 | R | 90.4 | Very high | 86 | Confident | 184 Ų | 184 | 48.4 Ų | 48.4 | 69% | 0.694 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 132.5 | -174.5 | -174.8 | 179.1 | 174.3 | 81.7 | 2.3 | 112.5 | K105 A176 | K105-R174 PolarHBondContact NZ-O 3.36Å; R174-A176 VanDerWaalsContact C-N 3.32Å |
| 175 | G | 89.7 | Confident | 87.6 | Confident | 48 Ų | 48 | 40 Ų | 40 | 50% | 0.495 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 20.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y173 N205 | Y173-G175 PolarHBondContact O-N 3.28Å; G175-N205 PolarHBondContact N-OD1 2.68Å |
| 176 | A | 94.4 | Very high | 88.9 | Confident | 4 Ų | 4 | 39.5 Ų | 39.5 | 3% | 0.033 | 21% | 0.211 | C | C | . | . | trans | -66.2 | 133.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | I107 Y173 R174 V179 N205 V210 | I107-A176 HydrophobicContact CD1-CB 4.04Å; I107-A176 HydrophobicContact CG1-CB 3.97Å; I107-A176 HydrophobicContact CG2-CB 3.95Å; Y173-A176 WeakPolarHBondContact O-CB 3.36Å; Y173-A176 PolarHBondContact O-N 2.97Å; R174-A176 VanDerWaalsContact C-N 3.32Å; A176-V179 HydrophobicContact CB-CG2 4.38Å; A176-N205 PolarHBondContact N-OD1 2.76Å; A176-V210 WeakPolarHBondContact O-CG2 3.4Å | ||
| 177 | Q | 94.8 | Very high | 90.2 | Very high | 56 Ų | 56 | 40.2 Ų | 40.2 | 26% | 0.262 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -95 | -23 | 170.8 | -71.6 | 142.4 | -64.5 | 0 | 0 | 111.1 | K105 Q211 N271 | K105-Q177 PolarHBondContact O-N 2.96Å; Q177-Q211 PolarHBondContact O-N 3.3Å; Q177-N271 PolarHBondContact NE2-ND2 3.23Å; Q177-N271 PolarHBondContact NE2-OD1 3.46Å |
| 178 | V | 96.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 135 | 177.6 | -174.3 | 0 | 0 | 0 | 0 | 109.6 | K105 V106 I107 I180 Q211 F213 V263 A267 | K105-V178 PolarHBondContact O-N 3.39Å; K105-V178 VanDerWaalsContact O-N 3.14Å; V106-V178 WeakPolarHBondContact CA-O 3.33Å; V106-V178 HydrophobicContact CB-CB 4.31Å; V106-V178 HydrophobicContact CG1-CB 4.05Å; V106-V178 HydrophobicContact CG1-CG1 4.07Å; V106-V178 HydrophobicContact CG2-CB 4.02Å; V106-V178 HydrophobicContact CG2-CG2 4.28Å; I107-V178 PolarHBondContact N-O 3.28Å; V178-I180 HydrophobicContact CG1-CG1 4.27Å; V178-Q211 CarbonylContact C-O 3.53Å; V178-Q211 WeakPolarHBondContact CA-O 3.36Å; V178-Q211 HydrophobicContact CG2-CB 4.37Å; V178-F213 HydrophobicContact CG1-CD2 3.6Å; V178-F213 HydrophobicContact CG1-CE2 3.7Å; V178-V263 HydrophobicContact CG1-CG1 4.03Å; V178-V263 HydrophobicContact CG2-CG1 4.44Å; V178-A267 HydrophobicContact CG2-CB 3.9Å |
| 179 | V | 97 | Very high | 92.4 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 121.9 | 171.4 | 178.8 | 0 | 0 | 0 | 0 | 108.7 | I107 V109 A176 I181 A201 V210 Q211 L212 F213 | I107-V179 HydrophobicContact CD1-CG1 4.46Å; I107-V179 HydrophobicContact CD1-CG2 3.88Å; I107-V179 HydrophobicContact CG1-CB 4.26Å; I107-V179 HydrophobicContact CG1-CG1 4.21Å; I107-V179 HydrophobicContact CG1-CG2 3.76Å; V109-V179 HydrophobicContact CG2-CG1 3.99Å; A176-V179 HydrophobicContact CB-CG2 4.38Å; V179-I181 HydrophobicContact CG1-CD1 3.94Å; V179-I181 HydrophobicContact CG1-CG1 4.05Å; V179-A201 HydrophobicContact CG1-CB 4.01Å; V179-A201 HydrophobicContact CG2-CB 4.34Å; V179-V210 HydrophobicContact CB-CG1 4.09Å; V179-V210 HydrophobicContact CG2-CG1 3.45Å; V179-V210 VanDerWaalsContact CG2-CG1 3.45Å; V179-Q211 PolarHBondContact N-O 2.79Å; V179-L212 HydrophobicContact CB-CD2 3.83Å; V179-L212 HydrophobicContact CG1-CD2 4.5Å; V179-L212 HydrophobicContact CG2-CD2 4.37Å; V179-F213 PolarHBondContact O-N 3.03Å |
| 180 | I | 97.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 114.4 | 173.8 | -60.1 | 174 | 0 | 0 | 0 | 107.6 | V106 I107 V108 V109 V178 F213 V215 F259 F260 V263 | V106-I180 HydrophobicContact CG1-CD1 3.49Å; V106-I180 VanDerWaalsContact CG1-CD1 3.49Å; V106-I180 HydrophobicContact CG1-CG1 3.89Å; I107-I180 PolarHBondContact O-N 3.43Å; V108-I180 WeakPolarHBondContact CA-O 3.25Å; V108-I180 HydrophobicContact CG1-CB 4.29Å; V108-I180 HydrophobicContact CG1-CG2 4.15Å; V108-I180 HydrophobicContact CG2-CB 4.2Å; V108-I180 HydrophobicContact CG2-CD1 4.2Å; V109-I180 PolarHBondContact N-O 3.24Å; V178-I180 HydrophobicContact CG1-CG1 4.27Å; I180-F213 HydrophobicContact CG1-CB 4.34Å; I180-V215 HydrophobicContact CG2-CB 4.29Å; I180-V215 HydrophobicContact CG2-CG2 3.56Å; I180-F259 HydrophobicContact CD1-CE1 3.89Å; I180-F259 HydrophobicContact CD1-CZ 3.75Å; I180-F259 HydrophobicContact CG1-CZ 4.03Å; I180-F259 HydrophobicContact CG2-CE1 4.29Å; I180-F259 HydrophobicContact CG2-CZ 3.92Å; I180-F260 HydrophobicContact CD1-CE1 4.03Å; I180-V263 HydrophobicContact CD1-CG2 4.5Å |
| 181 | I | 97.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 110 | 175.4 | -51 | 94.5 | 0 | 0 | 0 | 108.3 | V109 V179 A194 W197 L198 F213 L214 V215 | V109-I181 HydrophobicContact CG2-CB 4.43Å; V109-I181 HydrophobicContact CG2-CG1 3.99Å; V109-I181 HydrophobicContact CG2-CG2 4.49Å; V179-I181 HydrophobicContact CG1-CD1 3.94Å; V179-I181 HydrophobicContact CG1-CG1 4.05Å; I181-A194 HydrophobicContact CG2-CB 3.68Å; I181-W197 HydrophobicContact CG2-CB 4.47Å; I181-L198 HydrophobicContact CD1-CD1 4.11Å; I181-L198 HydrophobicContact CG1-CB 4.45Å; I181-F213 WeakPolarHBondContact CD1-O 3.46Å; I181-F213 PolarHBondContact N-O 3.01Å; I181-L214 HydrophobicContact CB-CD1 4.28Å; I181-L214 HydrophobicContact CG2-CD1 4.36Å; I181-V215 PolarHBondContact O-N 3.4Å |
| 182 | A | 97.7 | Very high | 94.8 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 136.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V109 G110 V114 K116 V215 T217 | V109-A182 PolarHBondContact O-N 3.43Å; G110-A182 WeakPolarHBondContact CA-O 3.29Å; V114-A182 HydrophobicContact CG2-CB 4.05Å; K116-A182 HydrophobicContact CG-CB 3.9Å; A182-V215 WeakPolarHBondContact CA-O 3.45Å; A182-T217 HydrophobicContact CB-CG2 4.34Å |
| 183 | F | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 163 | 170.9 | 77 | -82.2 | 0 | 0 | 0 | 109.9 | V185 L191 L214 V215 G216 T217 I230 A234 Y245 | F183-V185 HydrophobicContact CE2-CG1 4.17Å; F183-V185 HydrophobicContact CZ-CG1 4.34Å; F183-L191 HydrophobicContact CD1-CD1 3.99Å; F183-L191 HydrophobicContact CD2-CB 3.82Å; F183-L191 HydrophobicContact CD2-CD1 4.14Å; F183-L191 HydrophobicContact CD2-CG 4.48Å; F183-L191 HydrophobicContact CE1-CD1 3.97Å; F183-L191 HydrophobicContact CE2-CB 4.2Å; F183-L191 HydrophobicContact CE2-CD1 4.14Å; F183-L191 HydrophobicContact CE2-CD2 4.46Å; F183-L191 HydrophobicContact CE2-CG 4.5Å; F183-L191 HydrophobicContact CG-CB 4.25Å; F183-L191 HydrophobicContact CG-CD1 4.07Å; F183-L191 HydrophobicContact CZ-CD1 4.06Å; F183-L214 HydrophobicContact CD1-CD1 3.78Å; F183-L214 HydrophobicContact CD1-CG 4.1Å; F183-L214 HydrophobicContact CE1-CD1 4.03Å; F183-L214 HydrophobicContact CE1-CD2 4.11Å; F183-L214 HydrophobicContact CE1-CG 3.83Å; F183-V215 WeakPolarHBondContact CD1-O 3.32Å; F183-V215 PolarHBondContact N-O 3.11Å; F183-G216 VanDerWaalsContact CE1-CA 3.45Å; F183-T217 PolarHBondContact O-N 3.1Å; F183-T217 PolarHBondContact O-OG1 2.96Å; F183-I230 HydrophobicContact CE2-CG1 4.05Å; F183-A234 HydrophobicContact CE1-CB 4.14Å; F183-A234 HydrophobicContact CE2-CB 4.49Å; F183-A234 HydrophobicContact CZ-CB 3.59Å; F183-Y245 HydrophobicContact CE1-CD2 4.47Å; F183-Y245 AromaticContact CE1-CE2 3.81Å; F183-Y245 HydrophobicContact CE1-CE2 3.81Å; F183-Y245 AromaticContact CZ-CE2 3.88Å; F183-Y245 HydrophobicContact CZ-CE2 3.88Å |
| 184 | D | 97.3 | Very high | 95.4 | Very high | 17 Ų | 17 | 36.9 Ų | 36.9 | 9% | 0.091 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 124 | 175.9 | -177.7 | -14.9 | 0 | 0 | 0 | 108.9 | V114 N186 D187 S190 K218 | V114-D184 HydrophobicContact CB-CB 4.44Å; V114-D184 HydrophobicContact CG1-CB 4.37Å; D184-N186 PolarHBondContact O-N 3.17Å; D184-N186 WeakPolarHBondContact OD1-CB 3.47Å; D184-N186 PolarHBondContact OD1-N 3.05Å; D184-N186 PolarHBondContact OD1-ND2 2.87Å; D184-D187 HydrophobicContact CB-CB 4.09Å; D184-D187 PolarHBondContact O-N 2.85Å; D184-S190 PolarHBondContact N-OG 2.95Å; D184-S190 PolarHBondContact O-OG 3.44Å; D184-K218 VanDerWaalsContact OD2-CD 3.29Å; D184-K218 WeakPolarHBondContact OD2-CD 3.26Å; D184-K218 VanDerWaalsContact OD2-CE 3.25Å; D184-K218 WeakPolarHBondContact OD2-CE 3.42Å; D184-K218 IonicContact OD2-NZ 2.77Å; D184-K218 PolarHBondContact OD2-NZ 2.85Å |
| 185 | V | 97.3 | Very high | 95.5 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.012 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -15.3 | -179 | -59.8 | 0 | 0 | 0 | 0 | 113 | F183 G216 T217 S222 Y227 I230 | F183-V185 HydrophobicContact CE2-CG1 4.17Å; F183-V185 HydrophobicContact CZ-CG1 4.34Å; V185-G216 VanDerWaalsContact CG1-CA 3.49Å; V185-T217 WeakPolarHBondContact CG2-O 3.2Å; V185-T217 PolarHBondContact N-O 3.38Å; V185-S222 WeakPolarHBondContact CG2-OG 3.47Å; V185-Y227 HydrophobicContact CG1-CE2 4.45Å; V185-I230 HydrophobicContact CB-CG2 4.08Å; V185-I230 WeakPolarHBondContact O-CG2 3.38Å |
| 186 | N | 96.1 | Very high | 95.7 | Very high | 46 Ų | 46 | 35.4 Ų | 35.4 | 25% | 0.246 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -5.6 | 178.2 | -51.1 | -84.4 | 0 | 0 | 0 | 112.6 | D184 K218 S222 | D184-N186 PolarHBondContact O-N 3.17Å; D184-N186 WeakPolarHBondContact OD1-CB 3.47Å; D184-N186 PolarHBondContact OD1-N 3.05Å; D184-N186 PolarHBondContact OD1-ND2 2.87Å; N186-K218 PolarHBondContact ND2-O 3.03Å; N186-K218 VanDerWaalsContact ND2-O 3.12Å; N186-S222 WeakPolarHBondContact OD1-CA 3.43Å; N186-S222 PolarHBondContact OD1-N 2.61Å; N186-S222 PolarHBondContact OD1-OG 3.29Å |
| 187 | D | 95.2 | Very high | 95.6 | Very high | 69 Ų | 69 | 35.4 Ų | 35.4 | 37% | 0.369 | 20% | 0.195 | S | C | . | . | trans | -125.4 | 102.5 | -178.4 | -178.5 | 3.6 | 0 | 0 | 0 | 111.4 | D184 A189 S190 | D184-D187 HydrophobicContact CB-CB 4.09Å; D184-D187 PolarHBondContact O-N 2.85Å; D187-A189 VanDerWaalsContact C-N 3.26Å; D187-A189 PolarHBondContact O-N 3.17Å; D187-A189 WeakPolarHBondContact OD1-CB 3.36Å; D187-A189 PolarHBondContact OD1-N 3.02Å; D187-S190 WeakPolarHBondContact O-CB 3.46Å; D187-S190 PolarHBondContact O-N 3.06Å; D187-S190 PolarHBondContact O-OG 2.96Å; D187-S190 PolarHBondContact OD1-N 3.21Å | ||
| 188 | I | 93.1 | Very high | 95.5 | Very high | 128 Ų | 128 | 33.3 Ų | 33.3 | 66% | 0.656 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -62.4 | -33.8 | 179.9 | -60.6 | 166.7 | 0 | 0 | 0 | 111.5 | S190 L191 G192 I230 | I188-S190 VanDerWaalsContact C-N 3.27Å; I188-S190 PolarHBondContact O-N 3.4Å; I188-L191 PolarHBondContact O-N 2.93Å; I188-G192 PolarHBondContact O-N 3.01Å; I188-G192 VanDerWaalsContact O-N 3.16Å; I188-I230 HydrophobicContact CG1-CD1 4.15Å |
| 189 | A | 95 | Very high | 95.3 | Very high | 50 Ų | 50 | 37.1 Ų | 37.1 | 41% | 0.413 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -64.5 | -38 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | D187 L191 G192 H193 | D187-A189 VanDerWaalsContact C-N 3.26Å; D187-A189 PolarHBondContact O-N 3.17Å; D187-A189 WeakPolarHBondContact OD1-CB 3.36Å; D187-A189 PolarHBondContact OD1-N 3.02Å; A189-L191 VanDerWaalsContact C-N 3.28Å; A189-L191 PolarHBondContact O-N 3.5Å; A189-G192 WeakPolarHBondContact O-CA 3.23Å; A189-G192 PolarHBondContact O-N 2.93Å; A189-H193 VanDerWaalsContact O-CG 3.31Å; A189-H193 PolarHBondContact O-N 3.21Å; A189-H193 PolarHBondContact O-ND1 2.8Å |
| 190 | S | 96.1 | Very high | 94.9 | Very high | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.4 | -33.9 | 177.3 | 79.2 | 0 | 0 | 0 | 0 | 113.1 | D184 D187 I188 A194 | D184-S190 PolarHBondContact N-OG 2.95Å; D184-S190 PolarHBondContact O-OG 3.44Å; D187-S190 WeakPolarHBondContact O-CB 3.46Å; D187-S190 PolarHBondContact O-N 3.06Å; D187-S190 PolarHBondContact O-OG 2.96Å; D187-S190 PolarHBondContact OD1-N 3.21Å; I188-S190 VanDerWaalsContact C-N 3.27Å; I188-S190 PolarHBondContact O-N 3.4Å; S190-A194 PolarHBondContact O-N 2.57Å |
| 191 | L | 96.3 | Very high | 94.6 | Very high | 16 Ų | 16 | 38.7 Ų | 38.7 | 8% | 0.084 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.6 | -40.5 | 171.9 | -178.9 | 61.3 | 0 | 0 | 0 | 111.3 | F183 I188 A189 H193 A194 L214 I230 D233 A234 F237 | F183-L191 HydrophobicContact CD1-CD1 3.99Å; F183-L191 HydrophobicContact CD2-CB 3.82Å; F183-L191 HydrophobicContact CD2-CD1 4.14Å; F183-L191 HydrophobicContact CD2-CG 4.48Å; F183-L191 HydrophobicContact CE1-CD1 3.97Å; F183-L191 HydrophobicContact CE2-CB 4.2Å; F183-L191 HydrophobicContact CE2-CD1 4.14Å; F183-L191 HydrophobicContact CE2-CD2 4.46Å; F183-L191 HydrophobicContact CE2-CG 4.5Å; F183-L191 HydrophobicContact CG-CB 4.25Å; F183-L191 HydrophobicContact CG-CD1 4.07Å; F183-L191 HydrophobicContact CZ-CD1 4.06Å; I188-L191 PolarHBondContact O-N 2.93Å; A189-L191 VanDerWaalsContact C-N 3.28Å; A189-L191 PolarHBondContact O-N 3.5Å; L191-H193 VanDerWaalsContact C-N 3.31Å; L191-H193 PolarHBondContact O-N 3.48Å; L191-A194 WeakPolarHBondContact O-CB 3.41Å; L191-A194 PolarHBondContact O-N 2.88Å; L191-L214 HydrophobicContact CD1-CD1 4.41Å; L191-L214 HydrophobicContact CD1-CD2 4.19Å; L191-I230 HydrophobicContact CD2-CD1 3.79Å; L191-D233 HydrophobicContact CD2-CB 4.08Å; L191-A234 HydrophobicContact CD1-CB 4.41Å; L191-A234 HydrophobicContact CD2-CB 4.26Å; L191-F237 HydrophobicContact CD1-CD1 3.84Å; L191-F237 HydrophobicContact CD1-CG 4.48Å |
| 192 | G | 94.8 | Very high | 94.4 | Very high | 54 Ų | 54 | 40.5 Ų | 40.5 | 56% | 0.557 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -60.5 | -39.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | I188 A189 A194 | I188-G192 PolarHBondContact O-N 3.01Å; I188-G192 VanDerWaalsContact O-N 3.16Å; A189-G192 WeakPolarHBondContact O-CA 3.23Å; A189-G192 PolarHBondContact O-N 2.93Å; G192-A194 VanDerWaalsContact C-N 3.3Å; G192-A194 PolarHBondContact O-N 3.37Å |
| 193 | H | 94.5 | Very high | 94 | Very high | 95 Ų | 95 | 47 Ų | 47 | 44% | 0.44 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -74.3 | -17.5 | 177.6 | -57.7 | 151.2 | 0 | 0 | 0 | 113.8 | D111 A189 L191 K195 Q196 W197 | D111-H193 IonicContact OD1-ND1 3.92Å; D111-H193 IonicContact OD2-CE1 2.76Å; D111-H193 IonicContact OD2-CG 3.8Å; D111-H193 IonicContact OD2-ND1 3.55Å; D111-H193 PolarHBondContact OD2-ND1 3.35Å; A189-H193 VanDerWaalsContact O-CG 3.31Å; A189-H193 PolarHBondContact O-N 3.21Å; A189-H193 PolarHBondContact O-ND1 2.8Å; L191-H193 VanDerWaalsContact C-N 3.31Å; L191-H193 PolarHBondContact O-N 3.48Å; H193-K195 PolarHBondContact O-N 3.28Å; H193-K195 VanDerWaalsContact O-N 3.15Å; H193-Q196 WeakPolarHBondContact O-CB 3.43Å; H193-Q196 PolarHBondContact O-N 3.45Å; H193-W197 VanDerWaalsContact O-CD1 3.29Å; H193-W197 PolarHBondContact O-N 2.99Å |
| 194 | A | 93.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.008 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -55 | -34.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | I181 S190 L191 G192 W197 L198 L214 F237 | I181-A194 HydrophobicContact CG2-CB 3.68Å; S190-A194 PolarHBondContact O-N 2.57Å; L191-A194 WeakPolarHBondContact O-CB 3.41Å; L191-A194 PolarHBondContact O-N 2.88Å; G192-A194 VanDerWaalsContact C-N 3.3Å; G192-A194 PolarHBondContact O-N 3.37Å; A194-W197 PolarHBondContact O-N 3.22Å; A194-L198 PolarHBondContact O-N 3Å; A194-L214 HydrophobicContact CB-CD1 4.35Å; A194-F237 HydrophobicContact CB-CE1 3.68Å; A194-F237 HydrophobicContact CB-CZ 4.2Å |
| 195 | K | 92.9 | Very high | 93.2 | Very high | 117 Ų | 117 | 51 Ų | 51 | 51% | 0.509 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 175 | -174 | 176.5 | 176.9 | 178.9 | 0 | 112.5 | H193 W197 L198 E199 F237 | H193-K195 PolarHBondContact O-N 3.28Å; H193-K195 VanDerWaalsContact O-N 3.15Å; K195-W197 VanDerWaalsContact C-N 3.32Å; K195-W197 PolarHBondContact O-N 2.96Å; K195-L198 WeakPolarHBondContact O-CB 3.46Å; K195-L198 PolarHBondContact O-N 2.93Å; K195-E199 VanDerWaalsContact CE-OE1 3.26Å; K195-E199 WeakPolarHBondContact CE-OE1 3.36Å; K195-E199 WeakPolarHBondContact O-CG 3.37Å; K195-E199 PolarHBondContact O-N 3.41Å; K195-F237 HydrophobicContact CB-CE2 3.97Å; K195-F237 HydrophobicContact CB-CZ 3.88Å; K195-F237 HydrophobicContact CG-CE2 4.45Å |
| 196 | Q | 92.4 | Very high | 92.7 | Very high | 84 Ų | 84 | 55 Ų | 55 | 39% | 0.393 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 178.3 | -173.9 | 61.5 | 61.1 | 0 | 0 | 111.3 | H193 L198 E199 D200 | H193-Q196 WeakPolarHBondContact O-CB 3.43Å; H193-Q196 PolarHBondContact O-N 3.45Å; Q196-L198 VanDerWaalsContact C-N 3.34Å; Q196-E199 PolarHBondContact O-N 2.88Å; Q196-D200 PolarHBondContact NE2-OD1 3.19Å; Q196-D200 VanDerWaalsContact NE2-OD1 3.1Å; Q196-D200 WeakPolarHBondContact O-CB 3.49Å; Q196-D200 VanDerWaalsContact O-CG 3.23Å; Q196-D200 PolarHBondContact O-N 3.5Å |
| 197 | W | 92.8 | Very high | 91.9 | Very high | 3 Ų | 3 | 56.7 Ų | 56.7 | 1% | 0.011 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.9 | -39.2 | 176.3 | -75.2 | 109.1 | 0 | 0 | 0 | 112.7 | V109 G110 D111 K166 I181 H193 A194 K195 A201 | V109-W197 HydrophobicContact CB-CB 4.41Å; V109-W197 HydrophobicContact CB-CE3 4.11Å; V109-W197 HydrophobicContact CG2-CB 4.11Å; G110-W197 VanDerWaalsContact C-CE2 3.43Å; G110-W197 VanDerWaalsContact O-CZ2 3.3Å; G110-W197 WeakPolarHBondContact O-CZ2 3.44Å; D111-W197 PolarHBondContact OD1-NE1 2.99Å; K166-W197 HydrophobicContact CD-CH2 4.07Å; K166-W197 HydrophobicContact CD-CZ3 4.28Å; K166-W197 HydrophobicContact CG-CH2 3.71Å; K166-W197 HydrophobicContact CG-CZ3 3.89Å; I181-W197 HydrophobicContact CG2-CB 4.47Å; H193-W197 VanDerWaalsContact O-CD1 3.29Å; H193-W197 PolarHBondContact O-N 2.99Å; A194-W197 PolarHBondContact O-N 3.22Å; K195-W197 VanDerWaalsContact C-N 3.32Å; K195-W197 PolarHBondContact O-N 2.96Å; W197-A201 WeakPolarHBondContact O-CB 3.47Å; W197-A201 PolarHBondContact O-N 2.81Å |
| 198 | L | 92.8 | Very high | 91.2 | Very high | 13 Ų | 13 | 59.5 Ų | 59.5 | 7% | 0.068 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.9 | -49.7 | 173.5 | 175.4 | 64.2 | 0 | 0 | 0 | 111.2 | I181 A194 K195 Q196 D200 A201 L202 L212 I241 | I181-L198 HydrophobicContact CD1-CD1 4.11Å; I181-L198 HydrophobicContact CG1-CB 4.45Å; A194-L198 PolarHBondContact O-N 3Å; K195-L198 WeakPolarHBondContact O-CB 3.46Å; K195-L198 PolarHBondContact O-N 2.93Å; Q196-L198 VanDerWaalsContact C-N 3.34Å; L198-D200 VanDerWaalsContact C-N 3.28Å; L198-D200 PolarHBondContact O-N 3.22Å; L198-A201 PolarHBondContact O-N 2.91Å; L198-A201 VanDerWaalsContact O-N 3.14Å; L198-L202 HydrophobicContact CD1-CD1 3.75Å; L198-L202 HydrophobicContact CD1-CD2 4.41Å; L198-L202 HydrophobicContact CD1-CG 3.83Å; L198-L202 HydrophobicContact CD2-CD1 4.5Å; L198-L202 HydrophobicContact CG-CD1 3.88Å; L198-L202 HydrophobicContact CG-CG 4.27Å; L198-L202 WeakPolarHBondContact O-CB 3.33Å; L198-L202 WeakPolarHBondContact O-CG 3.24Å; L198-L202 PolarHBondContact O-N 3.02Å; L198-L212 HydrophobicContact CD1-CD1 3.85Å; L198-L212 HydrophobicContact CD1-CD2 3.71Å; L198-L212 HydrophobicContact CD1-CG 4.41Å; L198-L212 HydrophobicContact CD2-CD1 4.48Å; L198-I241 HydrophobicContact CD2-CB 3.66Å; L198-I241 HydrophobicContact CD2-CD1 3.96Å; L198-I241 HydrophobicContact CD2-CG1 4.39Å; L198-I241 HydrophobicContact CD2-CG2 3.66Å |
| 199 | E | 92.1 | Very high | 90.8 | Very high | 80 Ų | 80 | 56.5 Ų | 56.5 | 37% | 0.374 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -57.5 | -42.5 | 178.7 | -73.1 | 174.9 | -166.8 | 0 | 0 | 111.6 | K195 Q196 L202 K203 | K195-E199 VanDerWaalsContact CE-OE1 3.26Å; K195-E199 WeakPolarHBondContact CE-OE1 3.36Å; K195-E199 WeakPolarHBondContact O-CG 3.37Å; K195-E199 PolarHBondContact O-N 3.41Å; Q196-E199 PolarHBondContact O-N 2.88Å; E199-L202 PolarHBondContact O-N 3.11Å; E199-K203 VanDerWaalsContact O-CG 3.32Å; E199-K203 WeakPolarHBondContact O-CG 3.37Å; E199-K203 PolarHBondContact O-N 3.46Å |
| 200 | D | 90.1 | Very high | 90.6 | Very high | 32 Ų | 32 | 54.9 Ų | 54.9 | 17% | 0.171 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.7 | -38.1 | 177.6 | -67.7 | -19.7 | 0 | 0 | 0 | 112.3 | K166 Q196 L198 K203 | K166-D200 IonicContact NZ-OD2 3.34Å; Q196-D200 PolarHBondContact NE2-OD1 3.19Å; Q196-D200 VanDerWaalsContact NE2-OD1 3.1Å; Q196-D200 WeakPolarHBondContact O-CB 3.49Å; Q196-D200 VanDerWaalsContact O-CG 3.23Å; Q196-D200 PolarHBondContact O-N 3.5Å; L198-D200 VanDerWaalsContact C-N 3.28Å; L198-D200 PolarHBondContact O-N 3.22Å; D200-K203 IonicContact OD1-NZ 2.77Å; D200-K203 PolarHBondContact OD1-NZ 3.01Å |
| 201 | A | 91.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.1 | -40.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I107 Y173 V179 W197 L198 E204 N205 | I107-A201 HydrophobicContact CD1-CB 4.12Å; Y173-A201 HydrophobicContact CD2-CB 4.36Å; V179-A201 HydrophobicContact CG1-CB 4.01Å; V179-A201 HydrophobicContact CG2-CB 4.34Å; W197-A201 WeakPolarHBondContact O-CB 3.47Å; W197-A201 PolarHBondContact O-N 2.81Å; L198-A201 PolarHBondContact O-N 2.91Å; L198-A201 VanDerWaalsContact O-N 3.14Å; A201-E204 PolarHBondContact O-N 3.22Å; A201-N205 PolarHBondContact O-ND2 2.87Å |
| 202 | L | 91.8 | Very high | 90.5 | Very high | 40 Ų | 40 | 56.1 Ų | 56.1 | 21% | 0.209 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -76.9 | -20.5 | -178.4 | -68.7 | -176.8 | 0 | 0 | 0 | 113.5 | L198 E199 E204 N205 P207 | L198-L202 HydrophobicContact CD1-CD1 3.75Å; L198-L202 HydrophobicContact CD1-CD2 4.41Å; L198-L202 HydrophobicContact CD1-CG 3.83Å; L198-L202 HydrophobicContact CD2-CD1 4.5Å; L198-L202 HydrophobicContact CG-CD1 3.88Å; L198-L202 HydrophobicContact CG-CG 4.27Å; L198-L202 WeakPolarHBondContact O-CB 3.33Å; L198-L202 WeakPolarHBondContact O-CG 3.24Å; L198-L202 PolarHBondContact O-N 3.02Å; E199-L202 PolarHBondContact O-N 3.11Å; L202-E204 PolarHBondContact O-N 3.47Å; L202-N205 PolarHBondContact O-N 3.2Å; L202-P207 HydrophobicContact CB-CG 4.48Å; L202-P207 HydrophobicContact CD1-CB 4.37Å; L202-P207 HydrophobicContact CD2-CB 4.21Å; L202-P207 HydrophobicContact CD2-CG 4.46Å |
| 203 | K | 91 | Very high | 90.7 | Very high | 137 Ų | 137 | 53.7 Ų | 53.7 | 60% | 0.596 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -28.8 | 171.6 | -77.1 | 166 | -164.3 | 162.8 | 0 | 112.8 | E199 D200 | E199-K203 VanDerWaalsContact O-CG 3.32Å; E199-K203 WeakPolarHBondContact O-CG 3.37Å; E199-K203 PolarHBondContact O-N 3.46Å; D200-K203 IonicContact OD1-NZ 2.77Å; D200-K203 PolarHBondContact OD1-NZ 3.01Å |
| 204 | E | 88.4 | Confident | 90.8 | Very high | 82 Ų | 82 | 49.1 Ų | 49.1 | 38% | 0.383 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -0.5 | -175.8 | -59.2 | -60 | 154.3 | 0 | 0 | 113.5 | A201 L202 | A201-E204 PolarHBondContact O-N 3.22Å; L202-E204 PolarHBondContact O-N 3.47Å |
| 205 | N | 88.9 | Confident | 91.1 | Very high | 18 Ų | 18 | 49.1 Ų | 49.1 | 10% | 0.096 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -137 | 155.9 | -174.3 | -66 | -69.9 | 0 | 0 | 0 | 111.7 | Y173 G175 A176 A201 L202 P207 V210 | Y173-N205 PolarHBondContact O-ND2 3.4Å; Y173-N205 PolarHBondContact O-OD1 2.94Å; G175-N205 PolarHBondContact N-OD1 2.68Å; A176-N205 PolarHBondContact N-OD1 2.76Å; A201-N205 PolarHBondContact O-ND2 2.87Å; L202-N205 PolarHBondContact O-N 3.2Å; N205-P207 VanDerWaalsContact O-CD 3.25Å; N205-P207 WeakPolarHBondContact O-CD 3.25Å; N205-V210 HydrophobicContact CB-CG2 3.81Å |
| 206 | D | 86.6 | Confident | 91.3 | Very high | 88 Ų | 88 | 43.5 Ų | 43.5 | 47% | 0.471 | 23% | 0.232 | S | C | . | . | trans | -76.6 | 113.8 | 172.4 | 175 | -5.6 | 0 | 0 | 0 | 109.5 | T208 S209 V210 | D206-T208 VanDerWaalsContact CG-OG1 3.28Å; D206-T208 PolarHBondContact O-N 3Å; D206-T208 PolarHBondContact OD1-N 3.33Å; D206-T208 PolarHBondContact OD1-OG1 2.85Å; D206-T208 PolarHBondContact OD2-OG1 3.48Å; D206-S209 WeakPolarHBondContact CB-OG 3.23Å; D206-S209 PolarHBondContact O-N 2.55Å; D206-S209 PolarHBondContact O-OG 3.28Å; D206-V210 WeakPolarHBondContact O-CG2 3.44Å | ||
| 207 | P | 80.8 | Confident | 91.6 | Very high | 81 Ų | 81 | 39.6 Ų | 39.6 | 53% | 0.526 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -24.4 | -175.5 | -22.5 | 33.8 | 0 | 0 | 0 | 114.3 | L202 N205 S209 | L202-P207 HydrophobicContact CB-CG 4.48Å; L202-P207 HydrophobicContact CD1-CB 4.37Å; L202-P207 HydrophobicContact CD2-CB 4.21Å; L202-P207 HydrophobicContact CD2-CG 4.46Å; N205-P207 VanDerWaalsContact O-CD 3.25Å; N205-P207 WeakPolarHBondContact O-CD 3.25Å; P207-S209 VanDerWaalsContact C-N 3.28Å; P207-S209 PolarHBondContact O-N 3.22Å |
| 208 | T | 80.8 | Confident | 91.7 | Very high | 128 Ų | 128 | 42.2 Ų | 42.2 | 79% | 0.785 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -15 | -179.4 | 67 | 0 | 0 | 0 | 0 | 113.2 | D206 | D206-T208 VanDerWaalsContact CG-OG1 3.28Å; D206-T208 PolarHBondContact O-N 3Å; D206-T208 PolarHBondContact OD1-N 3.33Å; D206-T208 PolarHBondContact OD1-OG1 2.85Å; D206-T208 PolarHBondContact OD2-OG1 3.48Å |
| 209 | S | 82.9 | Confident | 91.9 | Very high | 65 Ų | 65 | 43.5 Ų | 43.5 | 46% | 0.455 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -107.1 | -3.9 | -173 | 71.9 | 0 | 0 | 0 | 0 | 114.1 | D206 P207 | D206-S209 WeakPolarHBondContact CB-OG 3.23Å; D206-S209 PolarHBondContact O-N 2.55Å; D206-S209 PolarHBondContact O-OG 3.28Å; P207-S209 VanDerWaalsContact C-N 3.28Å; P207-S209 PolarHBondContact O-N 3.22Å |
| 210 | V | 92.3 | Very high | 92.1 | Very high | 16 Ų | 16 | 42.3 Ų | 42.3 | 10% | 0.097 | 23% | 0.226 | C | C | . | . | trans | -107.9 | 129.8 | -171.1 | 179.5 | 0 | 0 | 0 | 0 | 110.6 | A176 V179 N205 D206 L212 | A176-V210 WeakPolarHBondContact O-CG2 3.4Å; V179-V210 HydrophobicContact CB-CG1 4.09Å; V179-V210 HydrophobicContact CG2-CG1 3.45Å; V179-V210 VanDerWaalsContact CG2-CG1 3.45Å; N205-V210 HydrophobicContact CB-CG2 3.81Å; D206-V210 WeakPolarHBondContact O-CG2 3.44Å; V210-L212 HydrophobicContact CG1-CD2 3.79Å | ||
| 211 | Q | 94.4 | Very high | 92.3 | Very high | 23 Ų | 23 | 46 Ų | 46 | 11% | 0.107 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 133.2 | 169.9 | -63.3 | 178.1 | 41.5 | 0 | 0 | 110.7 | Q177 V178 V179 F213 L266 T270 | Q177-Q211 PolarHBondContact O-N 3.3Å; V178-Q211 CarbonylContact C-O 3.53Å; V178-Q211 WeakPolarHBondContact CA-O 3.36Å; V178-Q211 HydrophobicContact CG2-CB 4.37Å; V179-Q211 PolarHBondContact N-O 2.79Å; Q211-F213 HydrophobicContact CB-CE2 4.12Å; Q211-L266 PolarHBondContact NE2-O 2.83Å; Q211-T270 VanDerWaalsContact NE2-CB 3.27Å; Q211-T270 PolarHBondContact NE2-OG1 2.83Å |
| 212 | L | 96 | Very high | 92.4 | Very high | 21 Ų | 21 | 46.9 Ų | 46.9 | 11% | 0.11 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 133.6 | -176.2 | -55.9 | 179.4 | 0 | 0 | 0 | 111.1 | V179 L198 V210 I241 A243 E244 | V179-L212 HydrophobicContact CB-CD2 3.83Å; V179-L212 HydrophobicContact CG1-CD2 4.5Å; V179-L212 HydrophobicContact CG2-CD2 4.37Å; L198-L212 HydrophobicContact CD1-CD1 3.85Å; L198-L212 HydrophobicContact CD1-CD2 3.71Å; L198-L212 HydrophobicContact CD1-CG 4.41Å; L198-L212 HydrophobicContact CD2-CD1 4.48Å; V210-L212 HydrophobicContact CG1-CD2 3.79Å; L212-I241 VanDerWaalsContact CD1-O 3.32Å; L212-I241 WeakPolarHBondContact CD1-O 3.41Å; L212-A243 HydrophobicContact CB-CB 3.69Å; L212-A243 VanDerWaalsContact O-CA 3.26Å; L212-A243 WeakPolarHBondContact O-CA 3.3Å; L212-A243 WeakPolarHBondContact O-CB 3.23Å; L212-E244 PolarHBondContact O-N 2.85Å |
| 213 | F | 97.6 | Very high | 92.5 | Very high | 3 Ų | 3 | 47.8 Ų | 47.8 | 1% | 0.013 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 130.6 | 172.9 | -66.6 | -93.4 | 0 | 0 | 0 | 110.1 | V178 V179 I180 I181 Q211 E244 F259 V263 L266 | V178-F213 HydrophobicContact CG1-CD2 3.6Å; V178-F213 HydrophobicContact CG1-CE2 3.7Å; V179-F213 PolarHBondContact O-N 3.03Å; I180-F213 HydrophobicContact CG1-CB 4.34Å; I181-F213 WeakPolarHBondContact CD1-O 3.46Å; I181-F213 PolarHBondContact N-O 3.01Å; Q211-F213 HydrophobicContact CB-CE2 4.12Å; F213-E244 CarbonylContact C-O 3.6Å; F213-E244 WeakPolarHBondContact CA-O 3.17Å; F213-E244 HydrophobicContact CD1-CB 3.83Å; F213-E244 HydrophobicContact CD1-CG 4.36Å; F213-E244 HydrophobicContact CE1-CB 3.92Å; F213-E244 HydrophobicContact CE1-CG 4.31Å; F213-F259 HydrophobicContact CB-CE2 3.98Å; F213-F259 HydrophobicContact CB-CZ 4.18Å; F213-F259 AromaticContact CD1-CE2 3.8Å; F213-F259 HydrophobicContact CD1-CE2 3.8Å; F213-F259 HydrophobicContact CG-CE2 4.05Å; F213-F259 HydrophobicContact CG-CZ 4.48Å; F213-V263 HydrophobicContact CD1-CG2 4.15Å; F213-V263 HydrophobicContact CD2-CG2 4.07Å; F213-V263 HydrophobicContact CE1-CG2 3.99Å; F213-V263 HydrophobicContact CE2-CG2 3.92Å; F213-V263 HydrophobicContact CG-CG2 4.18Å; F213-V263 HydrophobicContact CZ-CB 4.48Å; F213-V263 HydrophobicContact CZ-CG2 3.88Å; F213-L266 HydrophobicContact CE1-CD1 4.2Å; F213-L266 HydrophobicContact CZ-CD1 3.83Å |
| 214 | L | 98 | Very high | 92.5 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 123.9 | 171.5 | -178.4 | 70.3 | 0 | 0 | 0 | 109 | I181 F183 L191 A194 A234 F237 A238 A243 E244 Y245 W246 | I181-L214 HydrophobicContact CB-CD1 4.28Å; I181-L214 HydrophobicContact CG2-CD1 4.36Å; F183-L214 HydrophobicContact CD1-CD1 3.78Å; F183-L214 HydrophobicContact CD1-CG 4.1Å; F183-L214 HydrophobicContact CE1-CD1 4.03Å; F183-L214 HydrophobicContact CE1-CD2 4.11Å; F183-L214 HydrophobicContact CE1-CG 3.83Å; L191-L214 HydrophobicContact CD1-CD1 4.41Å; L191-L214 HydrophobicContact CD1-CD2 4.19Å; A194-L214 HydrophobicContact CB-CD1 4.35Å; L214-A234 HydrophobicContact CD2-CB 4.22Å; L214-A234 WeakPolarHBondContact CD2-O 3.25Å; L214-F237 HydrophobicContact CD1-CD1 4.11Å; L214-F237 HydrophobicContact CD1-CE1 4.07Å; L214-F237 HydrophobicContact CD2-CD1 3.72Å; L214-F237 HydrophobicContact CD2-CE1 4.46Å; L214-A238 HydrophobicContact CB-CB 4.35Å; L214-A238 HydrophobicContact CD2-CB 3.94Å; L214-A243 HydrophobicContact CB-CB 4.36Å; L214-E244 PolarHBondContact N-O 2.98Å; L214-Y245 HydrophobicContact CB-CD2 4.26Å; L214-Y245 HydrophobicContact CD2-CD2 3.89Å; L214-Y245 HydrophobicContact CG-CD2 4.02Å; L214-Y245 CarbonylContact O-C 3.58Å; L214-Y245 WeakPolarHBondContact O-CA 3.24Å; L214-Y245 WeakPolarHBondContact O-CD2 3.25Å; L214-W246 PolarHBondContact O-N 2.82Å |
| 215 | V | 98.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 112.7 | -174 | -175.8 | 0 | 0 | 0 | 0 | 111.3 | L119 I180 I181 A182 F183 T217 W246 V248 F259 | L119-V215 HydrophobicContact CD2-CG1 4.04Å; I180-V215 HydrophobicContact CG2-CB 4.29Å; I180-V215 HydrophobicContact CG2-CG2 3.56Å; I181-V215 PolarHBondContact O-N 3.4Å; A182-V215 WeakPolarHBondContact CA-O 3.45Å; F183-V215 WeakPolarHBondContact CD1-O 3.32Å; F183-V215 PolarHBondContact N-O 3.11Å; V215-T217 HydrophobicContact CG1-CG2 4.06Å; V215-W246 CarbonylContact C-O 3.39Å; V215-W246 VanDerWaalsContact CA-O 3.32Å; V215-W246 WeakPolarHBondContact CA-O 3.12Å; V215-V248 HydrophobicContact CG1-CG1 4.16Å; V215-V248 HydrophobicContact CG1-CG2 3.52Å; V215-F259 HydrophobicContact CG2-CD2 4.44Å; V215-F259 HydrophobicContact CG2-CE1 3.81Å; V215-F259 HydrophobicContact CG2-CE2 3.65Å; V215-F259 HydrophobicContact CG2-CZ 3.28Å |
| 216 | G | 98 | Very high | 92.8 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 112.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | F183 V185 W246 A247 V248 | F183-G216 VanDerWaalsContact CE1-CA 3.45Å; V185-G216 VanDerWaalsContact CG1-CA 3.49Å; G216-W246 PolarHBondContact N-O 2.89Å; G216-A247 CarbonylContact O-C 3.58Å; G216-A247 WeakPolarHBondContact O-CA 3.34Å; G216-V248 PolarHBondContact O-N 3.47Å |
| 217 | T | 97.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 166.3 | -178.5 | 59.8 | 0 | 0 | 0 | 0 | 111.8 | V114 A182 F183 V185 V215 K219 V248 | V114-T217 PolarHBondContact O-OG1 2.82Å; A182-T217 HydrophobicContact CB-CG2 4.34Å; F183-T217 PolarHBondContact O-N 3.1Å; F183-T217 PolarHBondContact O-OG1 2.96Å; V185-T217 WeakPolarHBondContact CG2-O 3.2Å; V185-T217 PolarHBondContact N-O 3.38Å; V215-T217 HydrophobicContact CG1-CG2 4.06Å; T217-K219 VanDerWaalsContact C-N 3.31Å; T217-K219 PolarHBondContact O-N 2.87Å; T217-V248 CarbonylContact C-O 3.44Å; T217-V248 HydrophobicContact CG2-CG2 4.05Å |
| 218 | K | 96.8 | Very high | 93.8 | Very high | 58 Ų | 58 | 44.4 Ų | 44.4 | 25% | 0.252 | 26% | 0.263 | S | S | . | . | trans | 60.1 | 35.4 | -179.6 | -47.3 | -172 | -157.9 | 160.9 | 0 | 114.2 | A113 V114 D184 N186 D220 L221 V248 | A113-K218 VanDerWaalsContact O-CE 3.24Å; A113-K218 WeakPolarHBondContact O-CE 3.35Å; A113-K218 PolarHBondContact O-NZ 3.45Å; V114-K218 WeakPolarHBondContact O-CE 3.42Å; D184-K218 VanDerWaalsContact OD2-CD 3.29Å; D184-K218 WeakPolarHBondContact OD2-CD 3.26Å; D184-K218 VanDerWaalsContact OD2-CE 3.25Å; D184-K218 WeakPolarHBondContact OD2-CE 3.42Å; D184-K218 IonicContact OD2-NZ 2.77Å; D184-K218 PolarHBondContact OD2-NZ 2.85Å; N186-K218 PolarHBondContact ND2-O 3.03Å; N186-K218 VanDerWaalsContact ND2-O 3.12Å; K218-D220 WeakPolarHBondContact CA-OD1 3.24Å; K218-D220 PolarHBondContact O-N 2.78Å; K218-D220 VanDerWaalsContact O-N 3.15Å; K218-L221 HydrophobicContact CB-CD1 4.12Å; K218-L221 HydrophobicContact CB-CG 4.37Å; K218-L221 HydrophobicContact CD-CD1 4.06Å; K218-L221 PolarHBondContact O-N 2.76Å; K218-V248 PolarHBondContact N-O 3Å | ||
| 219 | K | 96.2 | Very high | 94.4 | Very high | 41 Ų | 41 | 47.3 Ų | 47.3 | 18% | 0.178 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -53.8 | -32.6 | 176.2 | -174 | -176 | 176.7 | -169.5 | 0 | 112.8 | T217 L221 S222 Y227 A247 V248 E254 | T217-K219 VanDerWaalsContact C-N 3.31Å; T217-K219 PolarHBondContact O-N 2.87Å; K219-L221 PolarHBondContact O-N 2.88Å; K219-S222 PolarHBondContact O-N 3.3Å; K219-S222 VanDerWaalsContact O-N 3.15Å; K219-Y227 HydrophobicContact CD-CE2 4.18Å; K219-Y227 HydrophobicContact CG-CD2 4.09Å; K219-Y227 HydrophobicContact CG-CE2 3.96Å; K219-A247 HydrophobicContact CD-CB 4.04Å; K219-V248 WeakPolarHBondContact CB-O 3.5Å; K219-V248 PolarHBondContact N-O 3.14Å; K219-E254 IonicContact NZ-OE1 2.94Å; K219-E254 PolarHBondContact NZ-OE1 3.1Å |
| 220 | D | 95.7 | Very high | 95 | Very high | 54 Ų | 54 | 44.6 Ų | 44.6 | 29% | 0.289 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -59.9 | -22.8 | 178.3 | 55.1 | -74.4 | 0 | 0 | 0 | 114.7 | K218 S249 L251 T252 | K218-D220 WeakPolarHBondContact CA-OD1 3.24Å; K218-D220 PolarHBondContact O-N 2.78Å; K218-D220 VanDerWaalsContact O-N 3.15Å; D220-S249 WeakPolarHBondContact CB-OG 3.46Å; D220-S249 VanDerWaalsContact OD1-CB 3.26Å; D220-S249 WeakPolarHBondContact OD1-CB 3.37Å; D220-S249 PolarHBondContact OD1-OG 2.73Å; D220-L251 VanDerWaalsContact OD2-CD2 3.24Å; D220-L251 WeakPolarHBondContact OD2-CD2 3.47Å; D220-T252 HydrophobicContact CB-CG2 3.93Å |
| 221 | L | 94.9 | Very high | 95.1 | Very high | 111 Ų | 111 | 44.2 Ų | 44.2 | 58% | 0.581 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -89.9 | -15.2 | 179.9 | -57.3 | -178.3 | 0 | 0 | 0 | 113.1 | K218 K219 | K218-L221 HydrophobicContact CB-CD1 4.12Å; K218-L221 HydrophobicContact CB-CG 4.37Å; K218-L221 HydrophobicContact CD-CD1 4.06Å; K218-L221 PolarHBondContact O-N 2.76Å; K219-L221 PolarHBondContact O-N 2.88Å |
| 222 | S | 92.4 | Very high | 95 | Very high | 18 Ų | 18 | 49.1 Ų | 49.1 | 13% | 0.126 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -87 | 135.2 | -177.4 | -74.6 | 0 | 0 | 0 | 0 | 112.1 | V185 N186 K219 | V185-S222 WeakPolarHBondContact CG2-OG 3.47Å; N186-S222 WeakPolarHBondContact OD1-CA 3.43Å; N186-S222 PolarHBondContact OD1-N 2.61Å; N186-S222 PolarHBondContact OD1-OG 3.29Å; K219-S222 PolarHBondContact O-N 3.3Å; K219-S222 VanDerWaalsContact O-N 3.15Å |
| 223 | S | 94.4 | Very high | 95 | Very high | 58 Ų | 58 | 52.4 Ų | 52.4 | 41% | 0.406 | 28% | 0.277 | S | S | . | . | trans | -65.6 | 153.2 | 164.5 | 70.2 | 0 | 0 | 0 | 0 | 110.6 | A225 Q226 Y227 | S223-A225 PolarHBondContact O-N 3.26Å; S223-Q226 PolarHBondContact O-N 3.49Å; S223-Q226 VanDerWaalsContact O-N 3.13Å; S223-Q226 WeakPolarHBondContact OG-CB 3.33Å; S223-Q226 PolarHBondContact OG-N 3.07Å; S223-Y227 WeakPolarHBondContact O-CB 3.26Å; S223-Y227 PolarHBondContact O-N 3Å | ||
| 224 | P | 92.4 | Very high | 94.9 | Very high | 108 Ų | 108 | 52.2 Ų | 52.2 | 70% | 0.701 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -54.4 | -39 | 178.1 | -28.4 | 35.7 | 0 | 0 | 0 | 113.5 | S228 | P224-S228 WeakPolarHBondContact O-CB 3.48Å; P224-S228 PolarHBondContact O-N 2.95Å; P224-S228 PolarHBondContact O-OG 3.22Å |
| 225 | A | 92.1 | Very high | 94.7 | Very high | 65 Ų | 65 | 53.3 Ų | 53.3 | 54% | 0.537 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.9 | -42 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | S223 | S223-A225 PolarHBondContact O-N 3.26Å |
| 226 | Q | 90.8 | Very high | 94.5 | Very high | 86 Ų | 86 | 58.9 Ų | 58.9 | 40% | 0.402 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68.2 | -45.9 | 176.7 | -178.5 | 178.9 | -0.4 | 0 | 0 | 111.1 | S223 S228 R229 I230 | S223-Q226 PolarHBondContact O-N 3.49Å; S223-Q226 VanDerWaalsContact O-N 3.13Å; S223-Q226 WeakPolarHBondContact OG-CB 3.33Å; S223-Q226 PolarHBondContact OG-N 3.07Å; Q226-S228 VanDerWaalsContact C-N 3.28Å; Q226-S228 PolarHBondContact O-N 3.46Å; Q226-R229 PolarHBondContact O-N 3.32Å; Q226-I230 PolarHBondContact O-N 2.73Å |
| 227 | Y | 94.6 | Very high | 94.4 | Very high | 19 Ų | 19 | 60 Ų | 60 | 8% | 0.075 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.5 | -42.5 | 177.6 | 177.1 | -103 | 0 | 0 | 0 | 111.6 | V185 K219 S223 R229 I230 E231 A247 | V185-Y227 HydrophobicContact CG1-CE2 4.45Å; K219-Y227 HydrophobicContact CD-CE2 4.18Å; K219-Y227 HydrophobicContact CG-CD2 4.09Å; K219-Y227 HydrophobicContact CG-CE2 3.96Å; S223-Y227 WeakPolarHBondContact O-CB 3.26Å; S223-Y227 PolarHBondContact O-N 3Å; Y227-R229 PolarHBondContact O-N 3.13Å; Y227-I230 HydrophobicContact CD2-CG2 4.5Å; Y227-I230 VanDerWaalsContact O-CG2 3.26Å; Y227-I230 WeakPolarHBondContact O-CG2 3.4Å; Y227-I230 PolarHBondContact O-N 2.95Å; Y227-E231 HydrophobicContact CE1-CB 4.19Å; Y227-E231 VanDerWaalsContact CE1-CD 3.42Å; Y227-E231 HydrophobicContact CE1-CG 4.24Å; Y227-E231 VanDerWaalsContact CE1-OE1 3.25Å; Y227-E231 WeakPolarHBondContact CE1-OE1 2.99Å; Y227-E231 VanDerWaalsContact CZ-OE1 3.25Å; Y227-E231 WeakPolarHBondContact O-CB 3.41Å; Y227-E231 PolarHBondContact O-N 3.43Å; Y227-E231 PolarHBondContact OH-OE1 2.85Å; Y227-A247 HydrophobicContact CE2-CB 3.69Å; Y227-A247 WeakPolarHBondContact OH-CB 3.2Å |
| 228 | S | 93.7 | Very high | 94.3 | Very high | 57 Ų | 57 | 60.1 Ų | 60.1 | 40% | 0.399 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.5 | -31.8 | -178.9 | -59.9 | 0 | 0 | 0 | 0 | 113 | P224 Q226 Q232 | P224-S228 WeakPolarHBondContact O-CB 3.48Å; P224-S228 PolarHBondContact O-N 2.95Å; P224-S228 PolarHBondContact O-OG 3.22Å; Q226-S228 VanDerWaalsContact C-N 3.28Å; Q226-S228 PolarHBondContact O-N 3.46Å; S228-Q232 WeakPolarHBondContact O-CG 3.27Å |
| 229 | R | 92.8 | Very high | 94.1 | Very high | 189 Ų | 189 | 63.7 Ų | 63.7 | 71% | 0.713 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -74.1 | -53.3 | 178.1 | -65.2 | 175.4 | -175.2 | -176 | 0.7 | 111.2 | Q226 Y227 E231 Q232 D233 | Q226-R229 PolarHBondContact O-N 3.32Å; Y227-R229 PolarHBondContact O-N 3.13Å; R229-E231 VanDerWaalsContact C-N 3.25Å; R229-E231 PolarHBondContact O-N 3.43Å; R229-Q232 PolarHBondContact O-N 3.14Å; R229-D233 PolarHBondContact O-N 3.29Å |
| 230 | I | 95.3 | Very high | 93.9 | Very high | 9 Ų | 9 | 67.3 Ų | 67.3 | 5% | 0.046 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.3 | -31.3 | -179.3 | -169.1 | 64.9 | 0 | 0 | 0 | 112 | F183 V185 I188 L191 Q226 Y227 Q232 D233 A234 | F183-I230 HydrophobicContact CE2-CG1 4.05Å; V185-I230 HydrophobicContact CB-CG2 4.08Å; V185-I230 WeakPolarHBondContact O-CG2 3.38Å; I188-I230 HydrophobicContact CG1-CD1 4.15Å; L191-I230 HydrophobicContact CD2-CD1 3.79Å; Q226-I230 PolarHBondContact O-N 2.73Å; Y227-I230 HydrophobicContact CD2-CG2 4.5Å; Y227-I230 VanDerWaalsContact O-CG2 3.26Å; Y227-I230 WeakPolarHBondContact O-CG2 3.4Å; Y227-I230 PolarHBondContact O-N 2.95Å; I230-Q232 VanDerWaalsContact C-N 3.33Å; I230-Q232 PolarHBondContact O-N 3.01Å; I230-D233 PolarHBondContact O-N 3.13Å; I230-A234 VanDerWaalsContact O-CB 3.28Å; I230-A234 WeakPolarHBondContact O-CB 3.41Å; I230-A234 PolarHBondContact O-N 3.31Å |
| 231 | E | 94.3 | Very high | 93.8 | Very high | 8 Ų | 8 | 66 Ų | 66 | 4% | 0.037 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63 | -39.5 | 176.5 | -174.8 | 178.4 | -127.4 | 0 | 0 | 111.6 | R72 Y227 R229 A234 M235 Y245 | R72-E231 IonicContact CZ-OE1 3.81Å; R72-E231 IonicContact CZ-OE2 3.13Å; R72-E231 IonicContact NE-OE1 3.87Å; R72-E231 IonicContact NH1-OE1 2.73Å; R72-E231 PolarHBondContact NH1-OE1 3.07Å; R72-E231 IonicContact NH1-OE2 3.39Å; R72-E231 PolarHBondContact NH1-OE2 2.92Å; R72-E231 IonicContact NH2-OE1 2.66Å; R72-E231 PolarHBondContact NH2-OE1 3.37Å; R72-E231 IonicContact NH2-OE2 2.64Å; R72-E231 PolarHBondContact NH2-OE2 3.04Å; Y227-E231 HydrophobicContact CE1-CB 4.19Å; Y227-E231 VanDerWaalsContact CE1-CD 3.42Å; Y227-E231 HydrophobicContact CE1-CG 4.24Å; Y227-E231 VanDerWaalsContact CE1-OE1 3.25Å; Y227-E231 WeakPolarHBondContact CE1-OE1 2.99Å; Y227-E231 VanDerWaalsContact CZ-OE1 3.25Å; Y227-E231 WeakPolarHBondContact O-CB 3.41Å; Y227-E231 PolarHBondContact O-N 3.43Å; Y227-E231 PolarHBondContact OH-OE1 2.85Å; R229-E231 VanDerWaalsContact C-N 3.25Å; R229-E231 PolarHBondContact O-N 3.43Å; E231-A234 PolarHBondContact O-N 2.86Å; E231-M235 HydrophobicContact CG-CE 4.06Å; E231-M235 HydrophobicContact CG-CG 4.48Å; E231-M235 HydrophobicContact CG-SD 4.45Å; E231-M235 WeakPolarHBondContact O-CB 2.93Å; E231-M235 VanDerWaalsContact O-CG 3.27Å; E231-M235 WeakPolarHBondContact O-CG 3.41Å; E231-M235 PolarHBondContact O-N 2.61Å; E231-Y245 HydrophobicContact CG-CE1 3.96Å |
| 232 | Q | 93.9 | Very high | 93.6 | Very high | 125 Ų | 125 | 67 Ų | 67 | 58% | 0.584 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -63.7 | -44.9 | 176.8 | -72.1 | 176.4 | 0.2 | 0 | 0 | 111.8 | S228 R229 I230 M235 K236 | S228-Q232 WeakPolarHBondContact O-CG 3.27Å; R229-Q232 PolarHBondContact O-N 3.14Å; I230-Q232 VanDerWaalsContact C-N 3.33Å; I230-Q232 PolarHBondContact O-N 3.01Å; Q232-M235 HydrophobicContact CG-CE 4.43Å; Q232-M235 PolarHBondContact O-N 3.12Å; Q232-K236 PolarHBondContact O-N 3.21Å |
| 233 | D | 94.9 | Very high | 93.7 | Very high | 90 Ų | 90 | 66.3 Ų | 66.3 | 48% | 0.481 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.3 | -43.5 | 177.7 | -67.6 | -28.7 | 0 | 0 | 0 | 111.3 | L191 R229 I230 K236 F237 | L191-D233 HydrophobicContact CD2-CB 4.08Å; R229-D233 PolarHBondContact O-N 3.29Å; I230-D233 PolarHBondContact O-N 3.13Å; D233-K236 PolarHBondContact O-N 3.23Å; D233-F237 WeakPolarHBondContact O-CB 3.36Å; D233-F237 PolarHBondContact O-N 3.15Å |
| 234 | A | 95.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F183 L191 L214 I230 E231 K236 F237 A238 Y245 | F183-A234 HydrophobicContact CE1-CB 4.14Å; F183-A234 HydrophobicContact CE2-CB 4.49Å; F183-A234 HydrophobicContact CZ-CB 3.59Å; L191-A234 HydrophobicContact CD1-CB 4.41Å; L191-A234 HydrophobicContact CD2-CB 4.26Å; L214-A234 HydrophobicContact CD2-CB 4.22Å; L214-A234 WeakPolarHBondContact CD2-O 3.25Å; I230-A234 VanDerWaalsContact O-CB 3.28Å; I230-A234 WeakPolarHBondContact O-CB 3.41Å; I230-A234 PolarHBondContact O-N 3.31Å; E231-A234 PolarHBondContact O-N 2.86Å; A234-K236 VanDerWaalsContact C-N 3.34Å; A234-K236 PolarHBondContact O-N 3.48Å; A234-F237 PolarHBondContact O-N 3.15Å; A234-A238 VanDerWaalsContact O-CB 3.26Å; A234-A238 WeakPolarHBondContact O-CB 3.49Å; A234-A238 PolarHBondContact O-N 3.19Å; A234-Y245 HydrophobicContact CB-CD2 4Å; A234-Y245 HydrophobicContact CB-CE2 3.54Å |
| 235 | M | 94.4 | Very high | 93.9 | Very high | 22 Ų | 22 | 58.6 Ų | 58.6 | 11% | 0.108 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.5 | -37.9 | 174.8 | -76.2 | -172.2 | -62.2 | 0 | 0 | 112.1 | E231 Q232 R239 Y245 | E231-M235 HydrophobicContact CG-CE 4.06Å; E231-M235 HydrophobicContact CG-CG 4.48Å; E231-M235 HydrophobicContact CG-SD 4.45Å; E231-M235 WeakPolarHBondContact O-CB 2.93Å; E231-M235 VanDerWaalsContact O-CG 3.27Å; E231-M235 WeakPolarHBondContact O-CG 3.41Å; E231-M235 PolarHBondContact O-N 2.61Å; Q232-M235 HydrophobicContact CG-CE 4.43Å; Q232-M235 PolarHBondContact O-N 3.12Å; M235-R239 WeakPolarHBondContact O-CG 3.45Å; M235-R239 PolarHBondContact O-N 3.36Å; M235-R239 VanDerWaalsContact O-N 3.13Å; M235-Y245 HydrophobicContact CG-CD1 3.95Å; M235-Y245 HydrophobicContact CG-CE1 4.44Å |
| 236 | K | 94.4 | Very high | 94.2 | Very high | 118 Ų | 118 | 55.7 Ų | 55.7 | 51% | 0.513 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.1 | -50 | 174.7 | -176.5 | -175.4 | 173.7 | -170.8 | 0 | 110.5 | Q232 D233 A234 A238 R239 E240 | Q232-K236 PolarHBondContact O-N 3.21Å; D233-K236 PolarHBondContact O-N 3.23Å; A234-K236 VanDerWaalsContact C-N 3.34Å; A234-K236 PolarHBondContact O-N 3.48Å; K236-A238 PolarHBondContact O-N 3.12Å; K236-R239 PolarHBondContact O-N 2.9Å; K236-E240 VanDerWaalsContact CE-OE1 3.26Å; K236-E240 WeakPolarHBondContact CE-OE1 3.32Å; K236-E240 WeakPolarHBondContact O-CG 2.97Å; K236-E240 PolarHBondContact O-N 2.72Å; K236-E240 VanDerWaalsContact O-N 3.12Å |
| 237 | F | 95.1 | Very high | 94.5 | Very high | 24 Ų | 24 | 51.6 Ų | 51.6 | 11% | 0.105 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.5 | -44.5 | 178.1 | -179.7 | -118 | 0 | 0 | 0 | 112 | L191 A194 K195 L214 D233 A234 R239 E240 I241 | L191-F237 HydrophobicContact CD1-CD1 3.84Å; L191-F237 HydrophobicContact CD1-CG 4.48Å; A194-F237 HydrophobicContact CB-CE1 3.68Å; A194-F237 HydrophobicContact CB-CZ 4.2Å; K195-F237 HydrophobicContact CB-CE2 3.97Å; K195-F237 HydrophobicContact CB-CZ 3.88Å; K195-F237 HydrophobicContact CG-CE2 4.45Å; L214-F237 HydrophobicContact CD1-CD1 4.11Å; L214-F237 HydrophobicContact CD1-CE1 4.07Å; L214-F237 HydrophobicContact CD2-CD1 3.72Å; L214-F237 HydrophobicContact CD2-CE1 4.46Å; D233-F237 WeakPolarHBondContact O-CB 3.36Å; D233-F237 PolarHBondContact O-N 3.15Å; A234-F237 PolarHBondContact O-N 3.15Å; F237-R239 VanDerWaalsContact C-N 3.3Å; F237-R239 PolarHBondContact O-N 3.19Å; F237-E240 WeakPolarHBondContact O-CB 3.37Å; F237-E240 PolarHBondContact O-N 3.07Å; F237-I241 HydrophobicContact CD1-CD1 4.4Å; F237-I241 HydrophobicContact CD2-CG2 4.2Å; F237-I241 HydrophobicContact CE1-CD1 3.87Å; F237-I241 HydrophobicContact CE1-CG2 4.42Å; F237-I241 HydrophobicContact CE2-CG2 3.61Å; F237-I241 HydrophobicContact CZ-CD1 4.14Å; F237-I241 HydrophobicContact CZ-CG2 3.73Å; F237-I241 WeakPolarHBondContact O-CG1 3.34Å; F237-I241 PolarHBondContact O-N 3.43Å |
| 238 | A | 95 | Very high | 94.6 | Very high | 2 Ų | 2 | 50.7 Ų | 50.7 | 2% | 0.017 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.8 | -40.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | L214 A234 K236 I241 H242 A243 | L214-A238 HydrophobicContact CB-CB 4.35Å; L214-A238 HydrophobicContact CD2-CB 3.94Å; A234-A238 VanDerWaalsContact O-CB 3.26Å; A234-A238 WeakPolarHBondContact O-CB 3.49Å; A234-A238 PolarHBondContact O-N 3.19Å; K236-A238 PolarHBondContact O-N 3.12Å; A238-I241 PolarHBondContact O-N 3.06Å; A238-H242 PolarHBondContact O-N 2.81Å; A238-H242 VanDerWaalsContact O-N 3.1Å; A238-A243 PolarHBondContact O-N 2.72Å |
| 239 | R | 93 | Very high | 94.8 | Very high | 133 Ų | 133 | 48 Ų | 48 | 50% | 0.502 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.3 | -41.1 | 173.9 | -74.6 | -173.2 | -65.3 | -93.7 | 0.3 | 112.5 | M235 K236 F237 I241 H242 | M235-R239 WeakPolarHBondContact O-CG 3.45Å; M235-R239 PolarHBondContact O-N 3.36Å; M235-R239 VanDerWaalsContact O-N 3.13Å; K236-R239 PolarHBondContact O-N 2.9Å; F237-R239 VanDerWaalsContact C-N 3.3Å; F237-R239 PolarHBondContact O-N 3.19Å; R239-I241 VanDerWaalsContact C-N 3.32Å; R239-I241 PolarHBondContact O-N 2.82Å; R239-H242 PolarHBondContact O-N 2.7Å |
| 240 | E | 92.9 | Very high | 95 | Very high | 118 Ų | 118 | 39.3 Ų | 39.3 | 55% | 0.551 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -63 | -38 | 179.1 | -70.2 | 171.5 | -171.8 | 0 | 0 | 112.3 | K236 F237 | K236-E240 VanDerWaalsContact CE-OE1 3.26Å; K236-E240 WeakPolarHBondContact CE-OE1 3.32Å; K236-E240 WeakPolarHBondContact O-CG 2.97Å; K236-E240 PolarHBondContact O-N 2.72Å; K236-E240 VanDerWaalsContact O-N 3.12Å; F237-E240 WeakPolarHBondContact O-CB 3.37Å; F237-E240 PolarHBondContact O-N 3.07Å |
| 241 | I | 92.2 | Very high | 95.1 | Very high | 26 Ų | 26 | 42 Ų | 42 | 13% | 0.133 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 4 | -179.5 | 67.3 | 166.7 | 0 | 0 | 0 | 113.7 | L198 L212 F237 A238 R239 A243 | L198-I241 HydrophobicContact CD2-CB 3.66Å; L198-I241 HydrophobicContact CD2-CD1 3.96Å; L198-I241 HydrophobicContact CD2-CG1 4.39Å; L198-I241 HydrophobicContact CD2-CG2 3.66Å; L212-I241 VanDerWaalsContact CD1-O 3.32Å; L212-I241 WeakPolarHBondContact CD1-O 3.41Å; F237-I241 HydrophobicContact CD1-CD1 4.4Å; F237-I241 HydrophobicContact CD2-CG2 4.2Å; F237-I241 HydrophobicContact CE1-CD1 3.87Å; F237-I241 HydrophobicContact CE1-CG2 4.42Å; F237-I241 HydrophobicContact CE2-CG2 3.61Å; F237-I241 HydrophobicContact CZ-CD1 4.14Å; F237-I241 HydrophobicContact CZ-CG2 3.73Å; F237-I241 WeakPolarHBondContact O-CG1 3.34Å; F237-I241 PolarHBondContact O-N 3.43Å; A238-I241 PolarHBondContact O-N 3.06Å; R239-I241 VanDerWaalsContact C-N 3.32Å; R239-I241 PolarHBondContact O-N 2.82Å; I241-A243 HydrophobicContact CD1-CB 3.59Å; I241-A243 HydrophobicContact CG1-CB 3.63Å; I241-A243 PolarHBondContact O-N 2.9Å |
| 242 | H | 92.5 | Very high | 95.2 | Very high | 133 Ų | 133 | 45.8 Ų | 45.8 | 62% | 0.616 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 56.2 | -171.3 | -57.1 | -74.1 | 0 | 0 | 0 | 112.2 | L77 A238 R239 | L77-H242 HydrophobicContact CD1-CB 4.2Å; L77-H242 WeakPolarHBondContact CD1-O 3.32Å; A238-H242 PolarHBondContact O-N 2.81Å; A238-H242 VanDerWaalsContact O-N 3.1Å; R239-H242 PolarHBondContact O-N 2.7Å |
| 243 | A | 94.1 | Very high | 95.2 | Very high | 3 Ų | 3 | 41 Ų | 41 | 3% | 0.025 | 20% | 0.203 | C | C | . | . | trans | -117.6 | 150.4 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | L212 L214 A238 I241 | L212-A243 HydrophobicContact CB-CB 3.69Å; L212-A243 VanDerWaalsContact O-CA 3.26Å; L212-A243 WeakPolarHBondContact O-CA 3.3Å; L212-A243 WeakPolarHBondContact O-CB 3.23Å; L214-A243 HydrophobicContact CB-CB 4.36Å; A238-A243 PolarHBondContact O-N 2.72Å; I241-A243 HydrophobicContact CD1-CB 3.59Å; I241-A243 HydrophobicContact CG1-CB 3.63Å; I241-A243 PolarHBondContact O-N 2.9Å | ||
| 244 | E | 94.6 | Very high | 95.3 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 1% | 0.014 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 129.1 | 168.4 | -176.2 | 168.5 | 130.5 | 0 | 0 | 109.7 | A75 L212 F213 L214 W246 R262 | A75-E244 WeakPolarHBondContact O-CA 3.4Å; L212-E244 PolarHBondContact O-N 2.85Å; F213-E244 CarbonylContact C-O 3.6Å; F213-E244 WeakPolarHBondContact CA-O 3.17Å; F213-E244 HydrophobicContact CD1-CB 3.83Å; F213-E244 HydrophobicContact CD1-CG 4.36Å; F213-E244 HydrophobicContact CE1-CB 3.92Å; F213-E244 HydrophobicContact CE1-CG 4.31Å; L214-E244 PolarHBondContact N-O 2.98Å; E244-W246 PolarHBondContact OE1-NE1 2.84Å; E244-R262 VanDerWaalsContact OE1-CG 3.31Å; E244-R262 WeakPolarHBondContact OE1-CG 3.44Å; E244-R262 IonicContact OE1-CZ 3.85Å; E244-R262 IonicContact OE1-NE 3.12Å; E244-R262 PolarHBondContact OE1-NE 2.81Å; E244-R262 IonicContact OE1-NH2 3.72Å; E244-R262 IonicContact OE2-CZ 3.36Å; E244-R262 IonicContact OE2-NE 3.63Å; E244-R262 PolarHBondContact OE2-NE 3.46Å; E244-R262 IonicContact OE2-NH2 3.59Å; E244-R262 PolarHBondContact OE2-NH2 3.33Å |
| 245 | Y | 96.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 136.2 | -177.7 | 171.6 | -104.3 | 0 | 0 | 0 | 113 | F71 A75 F183 L214 E231 A234 M235 A247 | F71-Y245 HydrophobicContact CD1-CD1 4.35Å; F71-Y245 HydrophobicContact CD1-CE1 4.39Å; F71-Y245 HydrophobicContact CE1-CE1 4.21Å; A75-Y245 HydrophobicContact CB-CD1 4.47Å; A75-Y245 PolarHBondContact O-N 2.93Å; F183-Y245 HydrophobicContact CE1-CD2 4.47Å; F183-Y245 AromaticContact CE1-CE2 3.81Å; F183-Y245 HydrophobicContact CE1-CE2 3.81Å; F183-Y245 AromaticContact CZ-CE2 3.88Å; F183-Y245 HydrophobicContact CZ-CE2 3.88Å; L214-Y245 HydrophobicContact CB-CD2 4.26Å; L214-Y245 HydrophobicContact CD2-CD2 3.89Å; L214-Y245 HydrophobicContact CG-CD2 4.02Å; L214-Y245 CarbonylContact O-C 3.58Å; L214-Y245 WeakPolarHBondContact O-CA 3.24Å; L214-Y245 WeakPolarHBondContact O-CD2 3.25Å; E231-Y245 HydrophobicContact CG-CE1 3.96Å; A234-Y245 HydrophobicContact CB-CD2 4Å; A234-Y245 HydrophobicContact CB-CE2 3.54Å; M235-Y245 HydrophobicContact CG-CD1 3.95Å; M235-Y245 HydrophobicContact CG-CE1 4.44Å; Y245-A247 HydrophobicContact CE1-CB 4.4Å |
| 246 | W | 97.4 | Very high | 95.5 | Very high | 5 Ų | 5 | 41 Ų | 41 | 2% | 0.019 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 141 | 175.6 | -77.1 | 74.7 | 0 | 0 | 0 | 111.5 | Q69 F71 L214 V215 G216 E244 V248 N255 E258 F259 R262 | Q69-W246 WeakPolarHBondContact O-CH2 3.29Å; Q69-W246 WeakPolarHBondContact O-CZ2 3.38Å; F71-W246 HydrophobicContact CB-CD2 3.66Å; F71-W246 HydrophobicContact CB-CE3 3.8Å; F71-W246 HydrophobicContact CB-CG 4.07Å; F71-W246 HydrophobicContact CB-CH2 4.36Å; F71-W246 HydrophobicContact CB-CZ2 4.25Å; F71-W246 HydrophobicContact CB-CZ3 4.15Å; F71-W246 HydrophobicContact CD2-CE3 4.25Å; F71-W246 HydrophobicContact CD2-CZ3 4.49Å; F71-W246 HydrophobicContact CG-CD2 4.46Å; F71-W246 HydrophobicContact CG-CE3 4.3Å; L214-W246 PolarHBondContact O-N 2.82Å; V215-W246 CarbonylContact C-O 3.39Å; V215-W246 VanDerWaalsContact CA-O 3.32Å; V215-W246 WeakPolarHBondContact CA-O 3.12Å; G216-W246 PolarHBondContact N-O 2.89Å; E244-W246 PolarHBondContact OE1-NE1 2.84Å; W246-V248 HydrophobicContact CB-CG1 4.48Å; W246-N255 HydrophobicContact CE3-CB 4.31Å; W246-N255 HydrophobicContact CZ3-CB 4.4Å; W246-E258 HydrophobicContact CH2-CB 4.03Å; W246-E258 HydrophobicContact CZ3-CB 3.82Å; W246-F259 HydrophobicContact CB-CD2 3.82Å; W246-F259 HydrophobicContact CB-CE2 4.28Å; W246-F259 HydrophobicContact CB-CG 4.45Å; W246-F259 AromaticContact CD1-CD2 3.65Å; W246-F259 AromaticContact CD1-CE2 3.99Å; W246-F259 HydrophobicContact CD2-CB 3.95Å; W246-F259 AromaticContact CD2-CD2 3.63Å; W246-F259 HydrophobicContact CD2-CD2 3.63Å; W246-F259 HydrophobicContact CD2-CG 4.23Å; W246-F259 HydrophobicContact CE3-CB 3.65Å; W246-F259 HydrophobicContact CE3-CD2 4.24Å; W246-F259 HydrophobicContact CE3-CG 4.4Å; W246-F259 HydrophobicContact CG-CB 4.44Å; W246-F259 AromaticContact CG-CD2 3.4Å; W246-F259 HydrophobicContact CG-CD2 3.4Å; W246-F259 VanDerWaalsContact CG-CD2 3.4Å; W246-F259 HydrophobicContact CG-CE2 4.04Å; W246-F259 HydrophobicContact CG-CG 4.26Å; W246-F259 HydrophobicContact CZ3-CB 4.09Å; W246-R262 HydrophobicContact CH2-CB 4.35Å; W246-R262 HydrophobicContact CZ2-CB 3.74Å; W246-R262 HydrophobicContact CZ2-CG 3.77Å |
| 247 | A | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 128.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | F71 G216 K219 Y227 Y245 N255 | F71-A247 HydrophobicContact CE1-CB 3.88Å; F71-A247 HydrophobicContact CZ-CB 3.86Å; G216-A247 CarbonylContact O-C 3.58Å; G216-A247 WeakPolarHBondContact O-CA 3.34Å; K219-A247 HydrophobicContact CD-CB 4.04Å; Y227-A247 HydrophobicContact CE2-CB 3.69Å; Y227-A247 WeakPolarHBondContact OH-CB 3.2Å; Y245-A247 HydrophobicContact CE1-CB 4.4Å; A247-N255 WeakPolarHBondContact O-CB 3.48Å; A247-N255 PolarHBondContact O-ND2 3.05Å |
| 248 | V | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -135.2 | 157.9 | -169.9 | -55.8 | 0 | 0 | 0 | 0 | 111.9 | L119 V215 G216 T217 K218 K219 W246 E254 N255 V256 F259 | L119-V248 HydrophobicContact CD1-CG2 3.85Å; V215-V248 HydrophobicContact CG1-CG1 4.16Å; V215-V248 HydrophobicContact CG1-CG2 3.52Å; G216-V248 PolarHBondContact O-N 3.47Å; T217-V248 CarbonylContact C-O 3.44Å; T217-V248 HydrophobicContact CG2-CG2 4.05Å; K218-V248 PolarHBondContact N-O 3Å; K219-V248 WeakPolarHBondContact CB-O 3.5Å; K219-V248 PolarHBondContact N-O 3.14Å; W246-V248 HydrophobicContact CB-CG1 4.48Å; V248-E254 WeakPolarHBondContact CA-O 3.35Å; V248-N255 HydrophobicContact CG1-CB 4.05Å; V248-V256 HydrophobicContact CB-CG2 4.16Å; V248-F259 HydrophobicContact CG1-CB 4.29Å | ||
| 249 | S | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -126.8 | 115.4 | 165.6 | 174.3 | 0 | 0 | 0 | 0 | 110.5 | D220 L251 T252 G253 E254 V256 | D220-S249 WeakPolarHBondContact CB-OG 3.46Å; D220-S249 VanDerWaalsContact OD1-CB 3.26Å; D220-S249 WeakPolarHBondContact OD1-CB 3.37Å; D220-S249 PolarHBondContact OD1-OG 2.73Å; S249-L251 PolarHBondContact O-N 3Å; S249-L251 PolarHBondContact OG-N 3.35Å; S249-T252 WeakPolarHBondContact CB-OG1 3.32Å; S249-T252 PolarHBondContact OG-N 3.45Å; S249-T252 VanDerWaalsContact OG-N 3.12Å; S249-T252 PolarHBondContact OG-OG1 2.95Å; S249-G253 CarbonylContact O-C 3.56Å; S249-G253 WeakPolarHBondContact O-CA 3.3Å; S249-G253 PolarHBondContact O-N 3.37Å; S249-E254 PolarHBondContact N-O 3.34Å; S249-E254 PolarHBondContact O-N 2.88Å; S249-V256 WeakPolarHBondContact O-CG2 3.07Å | ||
| 250 | S | 97.2 | Very high | 95.8 | Very high | 7 Ų | 7 | 36.6 Ų | 36.6 | 5% | 0.049 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -21.6 | 171.6 | -48.1 | 0 | 0 | 0 | 0 | 112.5 | L119 R122 F128 | L119-S250 VanDerWaalsContact CA-OG 3.29Å; L119-S250 WeakPolarHBondContact CA-OG 3.3Å; L119-S250 PolarHBondContact N-OG 3.26Å; R122-S250 PolarHBondContact NE-O 2.97Å; R122-S250 PolarHBondContact NH2-O 2.95Å; F128-S250 WeakPolarHBondContact CD2-O 3.2Å |
| 251 | L | 96.1 | Very high | 96 | Very high | 66 Ų | 66 | 32.2 Ų | 32.2 | 35% | 0.346 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -56.6 | 176.6 | 173.7 | 63.4 | 0 | 0 | 0 | 110.2 | R122 F128 D220 S249 | R122-L251 PolarHBondContact NH2-O 3.2Å; F128-L251 HydrophobicContact CD1-CD1 3.64Å; F128-L251 HydrophobicContact CE1-CB 4.27Å; F128-L251 HydrophobicContact CE1-CD1 3.38Å; F128-L251 HydrophobicContact CE1-CG 4.39Å; F128-L251 HydrophobicContact CE2-CB 4.28Å; F128-L251 HydrophobicContact CG-CD1 4.44Å; F128-L251 HydrophobicContact CZ-CB 4.06Å; F128-L251 HydrophobicContact CZ-CD1 4.03Å; D220-L251 VanDerWaalsContact OD2-CD2 3.24Å; D220-L251 WeakPolarHBondContact OD2-CD2 3.47Å; S249-L251 PolarHBondContact O-N 3Å; S249-L251 PolarHBondContact OG-N 3.35Å |
| 252 | T | 96.2 | Very high | 96.1 | Very high | 87 Ų | 87 | 31.1 Ų | 31.1 | 53% | 0.534 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -19.7 | -176.4 | 66.9 | 0 | 0 | 0 | 0 | 112.9 | D220 S249 E254 | D220-T252 HydrophobicContact CB-CG2 3.93Å; S249-T252 WeakPolarHBondContact CB-OG1 3.32Å; S249-T252 PolarHBondContact OG-N 3.45Å; S249-T252 VanDerWaalsContact OG-N 3.12Å; S249-T252 PolarHBondContact OG-OG1 2.95Å; T252-E254 VanDerWaalsContact C-N 3.29Å; T252-E254 WeakPolarHBondContact OG1-CB 3.47Å; T252-E254 PolarHBondContact OG1-N 3.14Å |
| 253 | G | 95.5 | Very high | 96.3 | Very high | 25 Ų | 25 | 24.8 Ų | 24.8 | 26% | 0.258 | 13% | 0.131 | S | C | . | . | trans | 85.8 | -1.9 | -172 | 0 | 0 | 0 | 0 | 0 | 113.6 | S249 N255 V256 | S249-G253 CarbonylContact O-C 3.56Å; S249-G253 WeakPolarHBondContact O-CA 3.3Å; S249-G253 PolarHBondContact O-N 3.37Å; G253-N255 PolarHBondContact O-N 2.78Å; G253-V256 PolarHBondContact O-N 3.39Å | ||
| 254 | E | 96.2 | Very high | 96.4 | Very high | 76 Ų | 76 | 24.7 Ų | 24.7 | 36% | 0.355 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 125.7 | -178 | -169 | -166.6 | 163.5 | 0 | 0 | 111.6 | K219 V248 S249 T252 V256 | K219-E254 IonicContact NZ-OE1 2.94Å; K219-E254 PolarHBondContact NZ-OE1 3.1Å; V248-E254 WeakPolarHBondContact CA-O 3.35Å; S249-E254 PolarHBondContact N-O 3.34Å; S249-E254 PolarHBondContact O-N 2.88Å; T252-E254 VanDerWaalsContact C-N 3.29Å; T252-E254 WeakPolarHBondContact OG1-CB 3.47Å; T252-E254 PolarHBondContact OG1-N 3.14Å; E254-V256 PolarHBondContact O-N 2.86Å |
| 255 | N | 96.2 | Very high | 96.3 | Very high | 32 Ų | 32 | 24.5 Ų | 24.5 | 17% | 0.171 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 0.8 | 178.6 | -54.4 | -37.1 | 0 | 0 | 0 | 116 | F71 W246 A247 V248 G253 E258 F259 | F71-N255 WeakPolarHBondContact CE2-ND2 3.32Å; W246-N255 HydrophobicContact CE3-CB 4.31Å; W246-N255 HydrophobicContact CZ3-CB 4.4Å; A247-N255 WeakPolarHBondContact O-CB 3.48Å; A247-N255 PolarHBondContact O-ND2 3.05Å; V248-N255 HydrophobicContact CG1-CB 4.05Å; G253-N255 PolarHBondContact O-N 2.78Å; N255-E258 VanDerWaalsContact CA-OE2 3.31Å; N255-E258 WeakPolarHBondContact CA-OE2 3.49Å; N255-F259 WeakPolarHBondContact O-CB 3.32Å; N255-F259 PolarHBondContact O-N 2.97Å |
| 256 | V | 97.1 | Very high | 96.2 | Very high | 3 Ų | 3 | 24.7 Ų | 24.7 | 2% | 0.018 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.2 | -44.9 | -176.6 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | L119 R122 F123 V248 S249 G253 E254 F260 | L119-V256 HydrophobicContact CD1-CB 4.45Å; L119-V256 HydrophobicContact CD1-CG1 3.92Å; L119-V256 HydrophobicContact CD1-CG2 3.94Å; R122-V256 HydrophobicContact CB-CG1 4.26Å; R122-V256 HydrophobicContact CG-CB 4.14Å; R122-V256 HydrophobicContact CG-CG1 3.83Å; R122-V256 HydrophobicContact CG-CG2 4.05Å; F123-V256 HydrophobicContact CB-CG1 3.89Å; V248-V256 HydrophobicContact CB-CG2 4.16Å; S249-V256 WeakPolarHBondContact O-CG2 3.07Å; G253-V256 PolarHBondContact O-N 3.39Å; E254-V256 PolarHBondContact O-N 2.86Å; V256-F260 HydrophobicContact CG1-CD2 4.17Å; V256-F260 HydrophobicContact CG1-CE2 4.28Å; V256-F260 WeakPolarHBondContact O-CD2 3.4Å; V256-F260 PolarHBondContact O-N 3.13Å |
| 257 | K | 95.6 | Very high | 96 | Very high | 91 Ų | 91 | 24.5 Ų | 24.5 | 40% | 0.396 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -67.8 | -48.2 | -178.9 | -175.5 | -179.7 | 178.9 | -178.9 | 0 | 110.6 | F259 F260 F261 | K257-F259 VanDerWaalsContact C-N 3.29Å; K257-F259 PolarHBondContact O-N 2.79Å; K257-F260 PolarHBondContact O-N 2.94Å; K257-F261 HydrophobicContact CD-CE2 4.34Å; K257-F261 HydrophobicContact CG-CD2 3.85Å; K257-F261 HydrophobicContact CG-CE2 3.7Å; K257-F261 HydrophobicContact CG-CZ 4.48Å; K257-F261 WeakPolarHBondContact O-CB 3.26Å; K257-F261 WeakPolarHBondContact O-CD2 3.44Å; K257-F261 PolarHBondContact O-N 3.39Å |
| 258 | E | 95.1 | Very high | 95.8 | Very high | 94 Ų | 94 | 24.5 Ų | 24.5 | 44% | 0.439 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -58.7 | -43.5 | -179.6 | -65.7 | 69.5 | -152.8 | 0 | 0 | 110.7 | W246 N255 F261 R262 | W246-E258 HydrophobicContact CH2-CB 4.03Å; W246-E258 HydrophobicContact CZ3-CB 3.82Å; N255-E258 VanDerWaalsContact CA-OE2 3.31Å; N255-E258 WeakPolarHBondContact CA-OE2 3.49Å; E258-F261 PolarHBondContact O-N 3.37Å; E258-R262 WeakPolarHBondContact O-CB 3.41Å; E258-R262 PolarHBondContact O-N 2.88Å |
| 259 | F | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.5 | -54 | 176 | 170.8 | -118 | 0 | 0 | 0 | 112.4 | L119 I180 F213 V215 W246 V248 N255 K257 F261 R262 V263 | L119-F259 HydrophobicContact CD2-CE1 4.33Å; I180-F259 HydrophobicContact CD1-CE1 3.89Å; I180-F259 HydrophobicContact CD1-CZ 3.75Å; I180-F259 HydrophobicContact CG1-CZ 4.03Å; I180-F259 HydrophobicContact CG2-CE1 4.29Å; I180-F259 HydrophobicContact CG2-CZ 3.92Å; F213-F259 HydrophobicContact CB-CE2 3.98Å; F213-F259 HydrophobicContact CB-CZ 4.18Å; F213-F259 AromaticContact CD1-CE2 3.8Å; F213-F259 HydrophobicContact CD1-CE2 3.8Å; F213-F259 HydrophobicContact CG-CE2 4.05Å; F213-F259 HydrophobicContact CG-CZ 4.48Å; V215-F259 HydrophobicContact CG2-CD2 4.44Å; V215-F259 HydrophobicContact CG2-CE1 3.81Å; V215-F259 HydrophobicContact CG2-CE2 3.65Å; V215-F259 HydrophobicContact CG2-CZ 3.28Å; W246-F259 HydrophobicContact CB-CD2 3.82Å; W246-F259 HydrophobicContact CB-CE2 4.28Å; W246-F259 HydrophobicContact CB-CG 4.45Å; W246-F259 AromaticContact CD1-CD2 3.65Å; W246-F259 AromaticContact CD1-CE2 3.99Å; W246-F259 HydrophobicContact CD2-CB 3.95Å; W246-F259 AromaticContact CD2-CD2 3.63Å; W246-F259 HydrophobicContact CD2-CD2 3.63Å; W246-F259 HydrophobicContact CD2-CG 4.23Å; W246-F259 HydrophobicContact CE3-CB 3.65Å; W246-F259 HydrophobicContact CE3-CD2 4.24Å; W246-F259 HydrophobicContact CE3-CG 4.4Å; W246-F259 HydrophobicContact CG-CB 4.44Å; W246-F259 AromaticContact CG-CD2 3.4Å; W246-F259 HydrophobicContact CG-CD2 3.4Å; W246-F259 VanDerWaalsContact CG-CD2 3.4Å; W246-F259 HydrophobicContact CG-CE2 4.04Å; W246-F259 HydrophobicContact CG-CG 4.26Å; W246-F259 HydrophobicContact CZ3-CB 4.09Å; V248-F259 HydrophobicContact CG1-CB 4.29Å; N255-F259 WeakPolarHBondContact O-CB 3.32Å; N255-F259 PolarHBondContact O-N 2.97Å; K257-F259 VanDerWaalsContact C-N 3.29Å; K257-F259 PolarHBondContact O-N 2.79Å; F259-F261 VanDerWaalsContact C-N 3.3Å; F259-F261 PolarHBondContact O-N 2.77Å; F259-R262 WeakPolarHBondContact O-CB 3.27Å; F259-R262 PolarHBondContact O-N 2.87Å; F259-V263 HydrophobicContact CD2-CG2 4.16Å; F259-V263 HydrophobicContact CE1-CG2 4.35Å; F259-V263 HydrophobicContact CE2-CG2 3.66Å; F259-V263 HydrophobicContact CZ-CG2 3.75Å; F259-V263 WeakPolarHBondContact O-CG2 3.25Å; F259-V263 PolarHBondContact O-N 2.66Å |
| 260 | F | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -69.8 | -28.4 | -178.5 | -81.5 | -74.2 | 0 | 0 | 0 | 113.2 | L119 I120 F123 L156 I180 V256 K257 V263 A264 | L119-F260 HydrophobicContact CD1-CE2 3.97Å; L119-F260 HydrophobicContact CD2-CZ 4.5Å; L119-F260 HydrophobicContact CG-CE2 3.83Å; L119-F260 HydrophobicContact CG-CZ 4.08Å; I120-F260 HydrophobicContact CG1-CZ 4.49Å; F123-F260 HydrophobicContact CB-CD2 3.42Å; F123-F260 VanDerWaalsContact CB-CD2 3.42Å; F123-F260 HydrophobicContact CB-CE2 3.55Å; F123-F260 HydrophobicContact CB-CG 4.2Å; F123-F260 HydrophobicContact CB-CZ 4.43Å; F123-F260 HydrophobicContact CD1-CB 3.79Å; F123-F260 AromaticContact CD1-CD1 3.94Å; F123-F260 HydrophobicContact CD1-CD1 3.94Å; F123-F260 AromaticContact CD1-CD2 3.67Å; F123-F260 HydrophobicContact CD1-CD2 3.67Å; F123-F260 HydrophobicContact CD1-CE1 4.43Å; F123-F260 HydrophobicContact CD1-CE2 4.17Å; F123-F260 AromaticContact CD1-CG 3.52Å; F123-F260 HydrophobicContact CD1-CG 3.52Å; F123-F260 HydrophobicContact CD2-CB 3.63Å; F123-F260 AromaticContact CD2-CD2 3.71Å; F123-F260 HydrophobicContact CD2-CD2 3.71Å; F123-F260 AromaticContact CD2-CG 3.92Å; F123-F260 HydrophobicContact CD2-CG 3.92Å; F123-F260 HydrophobicContact CE1-CB 3.63Å; F123-F260 HydrophobicContact CE1-CD1 4.19Å; F123-F260 HydrophobicContact CE1-CD2 4.39Å; F123-F260 AromaticContact CE1-CG 3.84Å; F123-F260 HydrophobicContact CE1-CG 3.84Å; F123-F260 HydrophobicContact CE2-CB 3.51Å; F123-F260 HydrophobicContact CE2-CD2 4.47Å; F123-F260 HydrophobicContact CE2-CG 4.25Å; F123-F260 HydrophobicContact CG-CB 3.8Å; F123-F260 HydrophobicContact CG-CD1 4.4Å; F123-F260 AromaticContact CG-CD2 3.28Å; F123-F260 HydrophobicContact CG-CD2 3.28Å; F123-F260 AromaticContact CG-CE2 3.88Å; F123-F260 HydrophobicContact CG-CE2 3.88Å; F123-F260 AromaticContact CG-CG 3.58Å; F123-F260 HydrophobicContact CG-CG 3.58Å; F123-F260 HydrophobicContact CZ-CB 3.54Å; F123-F260 HydrophobicContact CZ-CG 4.23Å; L156-F260 HydrophobicContact CD1-CE1 4.14Å; L156-F260 HydrophobicContact CD2-CD1 4.31Å; L156-F260 HydrophobicContact CD2-CE1 3.88Å; I180-F260 HydrophobicContact CD1-CE1 4.03Å; V256-F260 HydrophobicContact CG1-CD2 4.17Å; V256-F260 HydrophobicContact CG1-CE2 4.28Å; V256-F260 WeakPolarHBondContact O-CD2 3.4Å; V256-F260 PolarHBondContact O-N 3.13Å; K257-F260 PolarHBondContact O-N 2.94Å; F260-V263 PolarHBondContact O-N 3.23Å; F260-A264 WeakPolarHBondContact O-CB 3.46Å; F260-A264 PolarHBondContact O-N 2.87Å |
| 261 | F | 96.1 | Very high | 94.8 | Very high | 26 Ų | 26 | 28.5 Ų | 28.5 | 11% | 0.114 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63 | -45.1 | 170.1 | -91.6 | -122.7 | 0 | 0 | 0 | 111.3 | D61 I64 P68 F123 F145 K257 E258 F259 A264 A265 | D61-F261 VanDerWaalsContact O-CZ 3.24Å; D61-F261 WeakPolarHBondContact O-CZ 3.28Å; I64-F261 HydrophobicContact CD1-CB 4.34Å; I64-F261 HydrophobicContact CD1-CD1 3.94Å; I64-F261 HydrophobicContact CD1-CG 4.22Å; I64-F261 WeakPolarHBondContact CD1-O 3.13Å; I64-F261 HydrophobicContact CG1-CD1 3.72Å; I64-F261 HydrophobicContact CG1-CE1 3.93Å; I64-F261 HydrophobicContact CG1-CG 4.47Å; P68-F261 HydrophobicContact CB-CB 4.36Å; P68-F261 HydrophobicContact CG-CB 3.9Å; F123-F261 HydrophobicContact CE2-CD2 4.33Å; F123-F261 HydrophobicContact CE2-CE2 4.37Å; F145-F261 HydrophobicContact CE1-CD2 4.05Å; F145-F261 HydrophobicContact CE1-CE2 4.13Å; K257-F261 HydrophobicContact CD-CE2 4.34Å; K257-F261 HydrophobicContact CG-CD2 3.85Å; K257-F261 HydrophobicContact CG-CE2 3.7Å; K257-F261 HydrophobicContact CG-CZ 4.48Å; K257-F261 WeakPolarHBondContact O-CB 3.26Å; K257-F261 WeakPolarHBondContact O-CD2 3.44Å; K257-F261 PolarHBondContact O-N 3.39Å; E258-F261 PolarHBondContact O-N 3.37Å; F259-F261 VanDerWaalsContact C-N 3.3Å; F259-F261 PolarHBondContact O-N 2.77Å; F261-A264 PolarHBondContact O-N 3.39Å; F261-A265 WeakPolarHBondContact O-CB 3.19Å; F261-A265 PolarHBondContact O-N 2.64Å |
| 262 | R | 95 | Very high | 94.4 | Very high | 3 Ų | 3 | 25.5 Ų | 25.5 | 1% | 0.011 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.1 | -47.4 | 175.4 | -178.4 | 73.3 | 172.2 | 165 | 5.6 | 111.3 | P68 H78 E244 W246 E258 F259 A264 A265 L266 | P68-R262 HydrophobicContact CB-CB 4.29Å; P68-R262 WeakPolarHBondContact O-CD 3.33Å; P68-R262 PolarHBondContact O-NH1 3.13Å; H78-R262 PolarHBondContact O-NH2 3.28Å; E244-R262 VanDerWaalsContact OE1-CG 3.31Å; E244-R262 WeakPolarHBondContact OE1-CG 3.44Å; E244-R262 IonicContact OE1-CZ 3.85Å; E244-R262 IonicContact OE1-NE 3.12Å; E244-R262 PolarHBondContact OE1-NE 2.81Å; E244-R262 IonicContact OE1-NH2 3.72Å; E244-R262 IonicContact OE2-CZ 3.36Å; E244-R262 IonicContact OE2-NE 3.63Å; E244-R262 PolarHBondContact OE2-NE 3.46Å; E244-R262 IonicContact OE2-NH2 3.59Å; E244-R262 PolarHBondContact OE2-NH2 3.33Å; W246-R262 HydrophobicContact CH2-CB 4.35Å; W246-R262 HydrophobicContact CZ2-CB 3.74Å; W246-R262 HydrophobicContact CZ2-CG 3.77Å; E258-R262 WeakPolarHBondContact O-CB 3.41Å; E258-R262 PolarHBondContact O-N 2.88Å; F259-R262 WeakPolarHBondContact O-CB 3.27Å; F259-R262 PolarHBondContact O-N 2.87Å; R262-A264 VanDerWaalsContact C-N 3.34Å; R262-A264 PolarHBondContact O-N 2.88Å; R262-A265 PolarHBondContact O-N 2.99Å; R262-L266 HydrophobicContact CG-CD1 4.08Å; R262-L266 WeakPolarHBondContact O-CG 3.37Å; R262-L266 PolarHBondContact O-N 3.46Å |
| 263 | V | 96.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -57 | -47.6 | 175.1 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | V106 L154 V178 I180 F213 F259 F260 A265 A267 | V106-V263 HydrophobicContact CG2-CG1 4.49Å; L154-V263 HydrophobicContact CD1-CG1 4.11Å; V178-V263 HydrophobicContact CG1-CG1 4.03Å; V178-V263 HydrophobicContact CG2-CG1 4.44Å; I180-V263 HydrophobicContact CD1-CG2 4.5Å; F213-V263 HydrophobicContact CD1-CG2 4.15Å; F213-V263 HydrophobicContact CD2-CG2 4.07Å; F213-V263 HydrophobicContact CE1-CG2 3.99Å; F213-V263 HydrophobicContact CE2-CG2 3.92Å; F213-V263 HydrophobicContact CG-CG2 4.18Å; F213-V263 HydrophobicContact CZ-CB 4.48Å; F213-V263 HydrophobicContact CZ-CG2 3.88Å; F259-V263 HydrophobicContact CD2-CG2 4.16Å; F259-V263 HydrophobicContact CE1-CG2 4.35Å; F259-V263 HydrophobicContact CE2-CG2 3.66Å; F259-V263 HydrophobicContact CZ-CG2 3.75Å; F259-V263 WeakPolarHBondContact O-CG2 3.25Å; F259-V263 PolarHBondContact O-N 2.66Å; F260-V263 PolarHBondContact O-N 3.23Å; V263-A265 PolarHBondContact O-N 3.05Å; V263-A267 WeakPolarHBondContact O-CB 3.43Å; V263-A267 PolarHBondContact O-N 3.19Å |
| 264 | A | 95.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62 | -44.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I64 F145 F152 L154 F260 F261 R262 F268 | I64-A264 HydrophobicContact CD1-CB 3.93Å; F145-A264 HydrophobicContact CD1-CB 3.93Å; F145-A264 HydrophobicContact CD2-CB 4.04Å; F145-A264 HydrophobicContact CE1-CB 3.74Å; F145-A264 HydrophobicContact CE2-CB 3.89Å; F145-A264 HydrophobicContact CG-CB 4.04Å; F145-A264 HydrophobicContact CZ-CB 3.69Å; F152-A264 HydrophobicContact CD1-CB 4.39Å; F152-A264 HydrophobicContact CE1-CB 4.17Å; F152-A264 WeakPolarHBondContact CE1-O 3.36Å; L154-A264 HydrophobicContact CD1-CB 3.9Å; L154-A264 HydrophobicContact CG-CB 4.29Å; F260-A264 WeakPolarHBondContact O-CB 3.46Å; F260-A264 PolarHBondContact O-N 2.87Å; F261-A264 PolarHBondContact O-N 3.39Å; R262-A264 VanDerWaalsContact C-N 3.34Å; R262-A264 PolarHBondContact O-N 2.88Å; A264-F268 VanDerWaalsContact O-CB 3.26Å; A264-F268 WeakPolarHBondContact O-CB 3.15Å; A264-F268 PolarHBondContact O-N 3.46Å |
| 265 | A | 94.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.1 | -47.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I64 L67 P68 F83 F261 R262 V263 F268 E269 | I64-A265 HydrophobicContact CD1-CB 4.46Å; I64-A265 HydrophobicContact CG2-CB 4.2Å; L67-A265 HydrophobicContact CD1-CB 3.64Å; P68-A265 VanDerWaalsContact CD-CB 3.46Å; P68-A265 HydrophobicContact CG-CB 4.21Å; F83-A265 HydrophobicContact CE1-CB 3.93Å; F83-A265 HydrophobicContact CZ-CB 3.8Å; F261-A265 WeakPolarHBondContact O-CB 3.19Å; F261-A265 PolarHBondContact O-N 2.64Å; R262-A265 PolarHBondContact O-N 2.99Å; V263-A265 PolarHBondContact O-N 3.05Å; A265-F268 PolarHBondContact O-N 3.28Å; A265-E269 WeakPolarHBondContact O-CB 3.26Å; A265-E269 PolarHBondContact O-N 3.38Å |
| 266 | L | 93.5 | Very high | 92.5 | Very high | 3 Ų | 3 | 25.8 Ų | 25.8 | 2% | 0.016 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.6 | -39 | 179.6 | -66 | 175.5 | 0 | 0 | 0 | 111.8 | L67 H78 Q211 F213 R262 F268 E269 T270 | L67-L266 HydrophobicContact CD1-CD2 4.06Å; H78-L266 HydrophobicContact CB-CD2 4.23Å; Q211-L266 PolarHBondContact NE2-O 2.83Å; F213-L266 HydrophobicContact CE1-CD1 4.2Å; F213-L266 HydrophobicContact CZ-CD1 3.83Å; R262-L266 HydrophobicContact CG-CD1 4.08Å; R262-L266 WeakPolarHBondContact O-CG 3.37Å; R262-L266 PolarHBondContact O-N 3.46Å; L266-F268 VanDerWaalsContact C-N 3.35Å; L266-F268 PolarHBondContact O-N 3.05Å; L266-E269 PolarHBondContact O-N 3.06Å; L266-T270 PolarHBondContact O-N 3.33Å; L266-T270 PolarHBondContact O-OG1 3.33Å |
| 267 | A | 94 | Very high | 91.9 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.008 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.9 | -41.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F152 L154 V178 V263 N271 | F152-A267 HydrophobicContact CE1-CB 4.34Å; F152-A267 HydrophobicContact CZ-CB 3.88Å; L154-A267 HydrophobicContact CD2-CB 4.37Å; V178-A267 HydrophobicContact CG2-CB 3.9Å; V263-A267 WeakPolarHBondContact O-CB 3.43Å; V263-A267 PolarHBondContact O-N 3.19Å; A267-N271 WeakPolarHBondContact O-CB 3.41Å; A267-N271 VanDerWaalsContact O-CG 3.3Å; A267-N271 PolarHBondContact O-N 3.25Å; A267-N271 VanDerWaalsContact O-N 3.11Å |
| 268 | F | 92.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.5 | -48.5 | 175 | 174 | -96.2 | 0 | 0 | 0 | 111.7 | V87 K102 V147 L148 V150 F152 A264 A265 L266 T270 N271 V272 | V87-F268 HydrophobicContact CG1-CD1 4.49Å; V87-F268 HydrophobicContact CG1-CE1 3.97Å; K102-F268 HydrophobicContact CD-CD2 4.46Å; K102-F268 HydrophobicContact CD-CE2 4.22Å; V147-F268 HydrophobicContact CB-CB 4.37Å; V147-F268 HydrophobicContact CB-CD1 3.92Å; V147-F268 HydrophobicContact CB-CD2 4.07Å; V147-F268 HydrophobicContact CB-CE1 4.17Å; V147-F268 HydrophobicContact CB-CE2 4.31Å; V147-F268 HydrophobicContact CB-CG 3.85Å; V147-F268 HydrophobicContact CB-CZ 4.36Å; V147-F268 HydrophobicContact CG1-CB 4.2Å; V147-F268 HydrophobicContact CG1-CD1 3.45Å; V147-F268 VanDerWaalsContact CG1-CD1 3.45Å; V147-F268 HydrophobicContact CG1-CD2 4.48Å; V147-F268 HydrophobicContact CG1-CE1 3.86Å; V147-F268 HydrophobicContact CG1-CG 3.79Å; V147-F268 HydrophobicContact CG2-CB 4.3Å; V147-F268 HydrophobicContact CG2-CD2 4.48Å; V147-F268 HydrophobicContact CG2-CG 4.27Å; L148-F268 HydrophobicContact CD1-CE1 4.37Å; V150-F268 HydrophobicContact CB-CE2 3.92Å; V150-F268 HydrophobicContact CB-CZ 3.92Å; V150-F268 HydrophobicContact CG1-CE2 3.91Å; V150-F268 HydrophobicContact CG1-CZ 4.28Å; V150-F268 HydrophobicContact CG2-CZ 4.23Å; F152-F268 HydrophobicContact CB-CD2 4.01Å; F152-F268 HydrophobicContact CD1-CB 4.14Å; F152-F268 HydrophobicContact CD2-CB 4.31Å; F152-F268 AromaticContact CD2-CD2 3.9Å; F152-F268 HydrophobicContact CD2-CD2 3.9Å; F152-F268 HydrophobicContact CE1-CB 4.12Å; F152-F268 HydrophobicContact CE2-CB 4.32Å; F152-F268 HydrophobicContact CG-CB 4.22Å; F152-F268 AromaticContact CG-CD2 3.93Å; F152-F268 HydrophobicContact CG-CD2 3.93Å; F152-F268 HydrophobicContact CZ-CB 4.2Å; A264-F268 VanDerWaalsContact O-CB 3.26Å; A264-F268 WeakPolarHBondContact O-CB 3.15Å; A264-F268 PolarHBondContact O-N 3.46Å; A265-F268 PolarHBondContact O-N 3.28Å; L266-F268 VanDerWaalsContact C-N 3.35Å; L266-F268 PolarHBondContact O-N 3.05Å; F268-T270 PolarHBondContact O-N 3.47Å; F268-N271 PolarHBondContact O-N 3.47Å; F268-V272 HydrophobicContact CD1-CG2 4.11Å; F268-V272 HydrophobicContact CD2-CG2 4.3Å; F268-V272 HydrophobicContact CE1-CG2 3.72Å; F268-V272 HydrophobicContact CE2-CG2 3.92Å; F268-V272 HydrophobicContact CG-CG2 4.4Å; F268-V272 HydrophobicContact CZ-CG2 3.61Å; F268-V272 VanDerWaalsContact O-CG2 3.27Å; F268-V272 WeakPolarHBondContact O-CG2 3.4Å; F268-V272 PolarHBondContact O-N 3.27Å |
| 269 | E | 91 | Very high | 90.1 | Very high | 13 Ų | 13 | 32.8 Ų | 32.8 | 6% | 0.061 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.3 | -50.5 | 179.7 | 172.8 | 159 | -101.3 | 0 | 0 | 112 | F83 N84 V87 A265 L266 N271 V272 L273 | F83-E269 WeakPolarHBondContact CA-OE1 3.46Å; F83-E269 HydrophobicContact CD1-CB 4.27Å; N84-E269 WeakPolarHBondContact CB-OE1 3.42Å; N84-E269 PolarHBondContact N-OE1 3.38Å; V87-E269 HydrophobicContact CG2-CG 4.19Å; A265-E269 WeakPolarHBondContact O-CB 3.26Å; A265-E269 PolarHBondContact O-N 3.38Å; L266-E269 PolarHBondContact O-N 3.06Å; E269-N271 VanDerWaalsContact C-N 3.34Å; E269-N271 PolarHBondContact O-N 3.48Å; E269-V272 PolarHBondContact O-N 3.19Å; E269-L273 HydrophobicContact CG-CD1 3.97Å; E269-L273 WeakPolarHBondContact O-CG 3.48Å; E269-L273 PolarHBondContact O-N 3.12Å |
| 270 | T | 90.6 | Very high | 88.3 | Confident | 55 Ų | 55 | 34.4 Ų | 34.4 | 34% | 0.337 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.4 | -42.6 | 177.5 | -61 | 0 | 0 | 0 | 0 | 112 | Q211 L266 F268 V272 L273 A274 | Q211-T270 VanDerWaalsContact NE2-CB 3.27Å; Q211-T270 PolarHBondContact NE2-OG1 2.83Å; L266-T270 PolarHBondContact O-N 3.33Å; L266-T270 PolarHBondContact O-OG1 3.33Å; F268-T270 PolarHBondContact O-N 3.47Å; T270-V272 VanDerWaalsContact C-N 3.35Å; T270-V272 PolarHBondContact O-N 3.42Å; T270-L273 PolarHBondContact O-N 3.45Å; T270-A274 WeakPolarHBondContact O-CB 3.34Å; T270-A274 PolarHBondContact O-N 3.1Å |
| 271 | N | 89.3 | Confident | 86.3 | Confident | 23 Ų | 23 | 38.1 Ų | 38.1 | 12% | 0.123 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62 | -42 | 176.9 | -78.9 | -9.4 | 0 | 0 | 0 | 112.3 | S104 Q177 A267 F268 E269 E275 | S104-N271 PolarHBondContact OG-ND2 3.32Å; Q177-N271 PolarHBondContact NE2-ND2 3.23Å; Q177-N271 PolarHBondContact NE2-OD1 3.46Å; A267-N271 WeakPolarHBondContact O-CB 3.41Å; A267-N271 VanDerWaalsContact O-CG 3.3Å; A267-N271 PolarHBondContact O-N 3.25Å; A267-N271 VanDerWaalsContact O-N 3.11Å; F268-N271 PolarHBondContact O-N 3.47Å; E269-N271 VanDerWaalsContact C-N 3.34Å; E269-N271 PolarHBondContact O-N 3.48Å; N271-E275 WeakPolarHBondContact O-CG 3.45Å; N271-E275 PolarHBondContact O-N 3.41Å |
| 272 | V | 88.4 | Confident | 84.3 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.024 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.7 | -45.6 | 177.7 | 178.4 | 0 | 0 | 0 | 0 | 110.7 | V87 A90 K102 F268 E269 T270 A274 E275 L276 | V87-V272 HydrophobicContact CB-CG1 4.24Å; V87-V272 HydrophobicContact CG1-CB 4.11Å; V87-V272 HydrophobicContact CG1-CG1 4.01Å; V87-V272 HydrophobicContact CG1-CG2 4.24Å; V87-V272 HydrophobicContact CG2-CB 4Å; V87-V272 HydrophobicContact CG2-CG1 3.87Å; A90-V272 HydrophobicContact CB-CG1 4.36Å; K102-V272 HydrophobicContact CD-CG2 4.37Å; F268-V272 HydrophobicContact CD1-CG2 4.11Å; F268-V272 HydrophobicContact CD2-CG2 4.3Å; F268-V272 HydrophobicContact CE1-CG2 3.72Å; F268-V272 HydrophobicContact CE2-CG2 3.92Å; F268-V272 HydrophobicContact CG-CG2 4.4Å; F268-V272 HydrophobicContact CZ-CG2 3.61Å; F268-V272 VanDerWaalsContact O-CG2 3.27Å; F268-V272 WeakPolarHBondContact O-CG2 3.4Å; F268-V272 PolarHBondContact O-N 3.27Å; E269-V272 PolarHBondContact O-N 3.19Å; T270-V272 VanDerWaalsContact C-N 3.35Å; T270-V272 PolarHBondContact O-N 3.42Å; V272-A274 PolarHBondContact O-N 2.73Å; V272-E275 PolarHBondContact O-N 3Å; V272-L276 HydrophobicContact CG1-CD1 4.02Å; V272-L276 HydrophobicContact CG1-CG 4.32Å; V272-L276 WeakPolarHBondContact O-CG 3.35Å; V272-L276 PolarHBondContact O-N 3.15Å |
| 273 | L | 88.3 | Confident | 82 | Confident | 43 Ų | 43 | 52.9 Ų | 52.9 | 23% | 0.225 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60 | -46.4 | 178.8 | -71.8 | 171.8 | 0 | 0 | 0 | 111.8 | K86 V87 E269 T270 E275 L276 E277 | K86-L273 HydrophobicContact CB-CD2 4.35Å; V87-L273 HydrophobicContact CG2-CD1 4.48Å; V87-L273 HydrophobicContact CG2-CD2 3.74Å; V87-L273 HydrophobicContact CG2-CG 3.7Å; E269-L273 HydrophobicContact CG-CD1 3.97Å; E269-L273 WeakPolarHBondContact O-CG 3.48Å; E269-L273 PolarHBondContact O-N 3.12Å; T270-L273 PolarHBondContact O-N 3.45Å; L273-E275 VanDerWaalsContact C-N 3.27Å; L273-E275 PolarHBondContact O-N 3.26Å; L273-L276 PolarHBondContact O-N 3.18Å; L273-L276 VanDerWaalsContact O-N 3.15Å; L273-E277 WeakPolarHBondContact O-CG 3.4Å; L273-E277 PolarHBondContact O-N 3.18Å |
| 274 | A | 86.5 | Confident | 79.5 | Confident | 35 Ų | 35 | 59.3 Ų | 59.3 | 29% | 0.289 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.3 | -34.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | T270 V272 K278 | T270-A274 WeakPolarHBondContact O-CB 3.34Å; T270-A274 PolarHBondContact O-N 3.1Å; V272-A274 PolarHBondContact O-N 2.73Å; A274-K278 WeakPolarHBondContact O-CD 3.26Å; A274-K278 VanDerWaalsContact O-CG 3.26Å; A274-K278 WeakPolarHBondContact O-CG 3.47Å; A274-K278 PolarHBondContact O-N 2.69Å |
| 275 | E | 84.2 | Confident | 76.9 | Confident | 80 Ų | 80 | 62.1 Ų | 62.1 | 37% | 0.374 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -71.5 | -39.1 | 174.5 | -78.5 | 177.1 | -164.7 | 0 | 0 | 113.1 | K102 N271 V272 L273 E277 K278 S279 | K102-E275 VanDerWaalsContact CE-CD 3.48Å; K102-E275 WeakPolarHBondContact CE-OE1 3.37Å; K102-E275 WeakPolarHBondContact CE-OE2 3.42Å; K102-E275 IonicContact NZ-OE1 3.16Å; K102-E275 PolarHBondContact NZ-OE1 2.81Å; K102-E275 IonicContact NZ-OE2 3.71Å; K102-E275 PolarHBondContact NZ-OE2 3.27Å; N271-E275 WeakPolarHBondContact O-CG 3.45Å; N271-E275 PolarHBondContact O-N 3.41Å; V272-E275 PolarHBondContact O-N 3Å; L273-E275 VanDerWaalsContact C-N 3.27Å; L273-E275 PolarHBondContact O-N 3.26Å; E275-E277 VanDerWaalsContact C-N 3.33Å; E275-K278 PolarHBondContact O-N 3.01Å; E275-S279 WeakPolarHBondContact O-CB 3.26Å; E275-S279 PolarHBondContact O-N 3.36Å; E275-S279 PolarHBondContact O-OG 3.25Å |
| 276 | L | 84.1 | Confident | 74.6 | Confident | 67 Ų | 67 | 69 Ų | 69 | 35% | 0.351 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.6 | -40.7 | 177.8 | -70 | 173.2 | 0 | 0 | 0 | 111.1 | K86 A90 V272 L273 S279 G280 | K86-L276 HydrophobicContact CB-CD1 4.17Å; A90-L276 HydrophobicContact CB-CD1 4.06Å; A90-L276 HydrophobicContact CB-CD2 4.02Å; V272-L276 HydrophobicContact CG1-CD1 4.02Å; V272-L276 HydrophobicContact CG1-CG 4.32Å; V272-L276 WeakPolarHBondContact O-CG 3.35Å; V272-L276 PolarHBondContact O-N 3.15Å; L273-L276 PolarHBondContact O-N 3.18Å; L273-L276 VanDerWaalsContact O-N 3.15Å; L276-S279 PolarHBondContact O-N 3.47Å; L276-G280 PolarHBondContact O-N 3.36Å |
| 277 | E | 83.9 | Confident | 72.3 | Confident | 145 Ų | 145 | 74.3 Ų | 74.3 | 68% | 0.678 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -63.5 | -43.6 | 175.6 | -70.8 | 174.3 | 178.7 | 0 | 0 | 112.2 | L273 E275 S279 G280 S281 | L273-E277 WeakPolarHBondContact O-CG 3.4Å; L273-E277 PolarHBondContact O-N 3.18Å; E275-E277 VanDerWaalsContact C-N 3.33Å; E277-S279 VanDerWaalsContact C-N 3.28Å; E277-S279 PolarHBondContact O-N 3.43Å; E277-G280 PolarHBondContact O-N 3.49Å; E277-S281 PolarHBondContact O-N 3.27Å; E277-S281 PolarHBondContact O-OG 3.33Å |
| 278 | K | 80.9 | Confident | 69.8 | Low | 131 Ų | 131 | 79.9 Ų | 79.9 | 57% | 0.57 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -65.5 | -29.6 | 175.6 | -71.2 | 170.6 | -173.9 | 175.3 | 0 | 113.1 | A274 E275 S281 R282 | A274-K278 WeakPolarHBondContact O-CD 3.26Å; A274-K278 VanDerWaalsContact O-CG 3.26Å; A274-K278 WeakPolarHBondContact O-CG 3.47Å; A274-K278 PolarHBondContact O-N 2.69Å; E275-K278 PolarHBondContact O-N 3.01Å; K278-S281 PolarHBondContact O-OG 2.87Å; K278-R282 WeakPolarHBondContact O-CG 3.45Å |
| 279 | S | 71.8 | Confident | 67.2 | Low | 60 Ų | 60 | 90.3 Ų | 90.3 | 42% | 0.42 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -81.4 | -35.4 | 179.4 | -56.6 | 0 | 0 | 0 | 0 | 111.9 | E275 L276 E277 R282 Q283 | E275-S279 WeakPolarHBondContact O-CB 3.26Å; E275-S279 PolarHBondContact O-N 3.36Å; E275-S279 PolarHBondContact O-OG 3.25Å; L276-S279 PolarHBondContact O-N 3.47Å; E277-S279 VanDerWaalsContact C-N 3.28Å; E277-S279 PolarHBondContact O-N 3.43Å; S279-R282 PolarHBondContact O-N 3.2Å; S279-Q283 PolarHBondContact O-N 2.99Å |
| 280 | G | 60.1 | Low | 65.1 | Low | 34 Ų | 34 | 96.9 Ų | 96.9 | 35% | 0.351 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.6 | -36.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L276 E277 Q283 | L276-G280 PolarHBondContact O-N 3.36Å; E277-G280 PolarHBondContact O-N 3.49Å; G280-Q283 PolarHBondContact O-N 2.9Å |
| 281 | S | 56.1 | Low | 62.2 | Low | 77 Ų | 77 | 100.8 Ų | 100.8 | 54% | 0.538 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -70.4 | -30.4 | 175.6 | 58.9 | 0 | 0 | 0 | 0 | 113.3 | E277 K278 I284 | E277-S281 PolarHBondContact O-N 3.27Å; E277-S281 PolarHBondContact O-OG 3.33Å; K278-S281 PolarHBondContact O-OG 2.87Å; S281-I284 PolarHBondContact O-N 2.96Å |
| 282 | R | 52.7 | Low | 59.5 | Low | 188 Ų | 188 | 104.3 Ų | 104.3 | 71% | 0.709 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -69 | -31.8 | 174.6 | -72 | 174.5 | -178.3 | 176.6 | 0.2 | 113 | K278 S279 I284 | K278-R282 WeakPolarHBondContact O-CG 3.45Å; S279-R282 PolarHBondContact O-N 3.2Å; R282-I284 VanDerWaalsContact C-N 3.34Å |
| 283 | Q | 47.5 | Very low | 56.8 | Low | 151 Ų | 151 | 110.5 Ų | 110.5 | 71% | 0.706 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -74.4 | -21.9 | 177.9 | -74.7 | -174.2 | -5.2 | 0 | 0 | 113.9 | S279 G280 | S279-Q283 PolarHBondContact O-N 2.99Å; G280-Q283 PolarHBondContact O-N 2.9Å |
| 284 | I | 44.2 | Very low | 54.2 | Low | 135 Ų | 135 | 113.8 Ų | 113.8 | 69% | 0.692 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -78.1 | -23.4 | 179.1 | -66.9 | 163.6 | 0 | 0 | 0 | 111.6 | S281 R282 | S281-I284 PolarHBondContact O-N 2.96Å; R282-I284 VanDerWaalsContact C-N 3.34Å |
| 285 | G | 41.5 | Very low | 51.6 | Low | 60 Ų | 60 | 116.8 Ų | 116.8 | 62% | 0.619 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -19.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 286 | D | 44.7 | Very low | 49.3 | Very low | 144 Ų | 144 | 120.1 Ų | 120.1 | 77% | 0.77 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | 6.3 | -175.6 | -72.4 | -25 | 0 | 0 | 0 | 113.7 | ||
| 287 | V | 46 | Very low | 46.9 | Very low | 115 Ų | 115 | 124.8 Ų | 124.8 | 70% | 0.697 | 69% | 0.687 | S | S | * | * | trans | -112.1 | 57.2 | 174.2 | -166.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 288 | V | 40.4 | Very low | 44.3 | Very low | 117 Ų | 117 | 129 Ų | 129 | 71% | 0.709 | 70% | 0.698 | S | S | * | * | trans | -117.6 | 75.6 | 147.3 | -173.5 | 0 | 0 | 0 | 0 | 106.8 | I290 | V288-I290 VanDerWaalsContact C-N 3.33Å; V288-I290 HydrophobicContact CG1-CG1 3.9Å; V288-I290 PolarHBondContact O-N 3.02Å | ||
| 289 | R | 39.9 | Very low | 42.1 | Very low | 220 Ų | 220 | 126.7 Ų | 126.7 | 83% | 0.83 | 70% | 0.704 | S | S | * | * | trans | -67.2 | 96.4 | 160.9 | -88.5 | -177.1 | 168.4 | 134.9 | -2.7 | 107.4 | N291 | R289-N291 VanDerWaalsContact C-N 3.27Å; R289-N291 PolarHBondContact O-N 3.16Å | ||
| 290 | I | 45.4 | Very low | 40.2 | Very low | 150 Ų | 150 | 129.9 Ų | 129.9 | 77% | 0.769 | 72% | 0.721 | S | S | * | * | trans | -72 | 89.9 | 161.4 | -55.3 | 179.6 | 0 | 0 | 0 | 107.2 | V288 | V288-I290 VanDerWaalsContact C-N 3.33Å; V288-I290 HydrophobicContact CG1-CG1 3.9Å; V288-I290 PolarHBondContact O-N 3.02Å | ||
| 291 | N | 30.4 | Very low | 39.1 | Very low | 138 Ų | 138 | 138.5 Ų | 138.5 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | trans | -119 | 127.5 | 153.7 | -80.7 | -10.6 | 0 | 0 | 0 | 104.3 | R289 | R289-N291 VanDerWaalsContact C-N 3.27Å; R289-N291 PolarHBondContact O-N 3.16Å | ||
| 292 | S | 31.8 | Very low | 38 | Very low | 96 Ų | 96 | 144.1 Ų | 144.1 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | cis | -172.2 | 144.3 | 29 | 37.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 293 | T | 33 | Very low | 37 | Very low | 134 Ų | 134 | 143.5 Ų | 143.5 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | trans | 52.2 | 107.5 | 142.3 | 52.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 294 | S | 32.6 | Very low | 36.4 | Very low | 112 Ų | 112 | 143.6 Ų | 143.6 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | -157.7 | 106.9 | 127.8 | 51.4 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 295 | S | 32.1 | Very low | 36.3 | Very low | 99 Ų | 99 | 141.6 Ų | 141.6 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | trans | 58.1 | 123.6 | 139.5 | 55 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 296 | N | 35.4 | Very low | 36.1 | Very low | 149 Ų | 149 | 146.2 Ų | 146.2 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | 73.9 | 115.4 | 147.7 | -68.2 | -38.5 | 0 | 0 | 0 | 118.6 | ||||
| 297 | L | 33.7 | Very low | 35.7 | Very low | 166 Ų | 166 | 145.2 Ų | 145.2 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | -177.2 | 79.1 | 117 | -90.9 | 154.8 | 0 | 0 | 0 | 109.7 | A299 | L297-A299 PolarHBondContact O-N 3.35Š| |||
| 298 | Y | 30 | Very low | 35.6 | Very low | 233 Ų | 233 | 145.5 Ų | 145.5 | 91% | 0.914 | 79% | 0.789 | S | S | * | * | trans | -77.2 | 101 | 151.3 | -87.3 | -84.4 | 0 | 0 | 0 | 107.5 | ||||
| 299 | A | 35 | Very low | 35.4 | Very low | 82 Ų | 82 | 152.9 Ų | 152.9 | 68% | 0.678 | 82% | 0.816 | S | S | * | * | trans | -127.6 | 82.4 | 156 | 0 | 0 | 0 | 0 | 0 | 107.9 | L297 K301 | L297-A299 PolarHBondContact O-N 3.35Å; A299-K301 PolarHBondContact O-N 2.94Å | ||
| 300 | T | 32.3 | Very low | 35.2 | Very low | 128 Ų | 128 | 149.5 Ų | 149.5 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | trans | -48.8 | 118.2 | 161.5 | 19.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 301 | K | 35.4 | Very low | 34.7 | Very low | 214 Ų | 214 | 149.5 Ų | 149.5 | 93% | 0.93 | 82% | 0.817 | S | S | * | * | trans | -110.9 | 118.3 | 150.6 | -87.3 | -171.8 | 178.2 | 179.5 | 0 | 109.1 | A299 | A299-K301 PolarHBondContact O-N 2.94Š| ||
| 302 | K | 33.4 | Very low | 34.9 | Very low | 196 Ų | 196 | 150.1 Ų | 150.1 | 85% | 0.852 | 82% | 0.822 | S | S | * | * | trans | -91.1 | 159.6 | 179.3 | -142.2 | -179.4 | -171.3 | 179.2 | 0 | 109.4 | ||||
| 303 | K | 31.8 | Very low | 35.1 | Very low | 175 Ų | 175 | 153.3 Ų | 153.3 | 76% | 0.761 | 83% | 0.83 | S | S | * | * | trans | 93 | 135.8 | 165.3 | -67.2 | -174 | 172.3 | -175 | 0 | 115.8 | ||||
| 304 | Q | 35.7 | Very low | 35.2 | Very low | 153 Ų | 153 | 154.5 Ų | 154.5 | 72% | 0.715 | 83% | 0.831 | S | S | * | * | cis | -160.6 | 141.6 | 3.7 | -138.3 | 164.2 | -25 | 0 | 0 | 108.3 | ||||
| 305 | A | 40.9 | Very low | 35.4 | Very low | 92 Ų | 92 | 157.3 Ų | 157.3 | 76% | 0.76 | 83% | 0.834 | S | S | * | * | trans | -78.9 | 140.7 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 306 | N | 39.2 | Very low | 35.6 | Very low | 158 Ų | 158 | 161.5 Ų | 161.5 | 85% | 0.845 | 84% | 0.844 | S | S | * | * | trans | -140.8 | 122.7 | 155.8 | -95.5 | -6.2 | 0 | 0 | 0 | 108.3 | ||||
| 307 | C | 34.9 | Very low | 35.6 | Very low | 122 Ų | 122 | 162.5 Ų | 162.5 | 82% | 0.824 | 85% | 0.848 | S | S | * | * | trans | -121.3 | 139.1 | 166.1 | -131 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 308 | C | 43.8 | Very low | 35.8 | Very low | 121 Ų | 121 | 162.2 Ų | 162.2 | 82% | 0.818 | 85% | 0.846 | S | S | * | * | trans | 68 | 112.2 | 161.9 | -56.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 309 | Q | 37 | Very low | 36.3 | Very low | 272 Ų | 272 | 155.7 Ų | 155.7 | 100% | 1.271 | 84% | 0.84 | S | S | * | * | -143.8 | 0 | 115.8 | -105.5 | -173.6 | -8.5 | 0 | 0 | 109.2 |
Retrieved 309 of 309 residues in 317.5 ms
(Link to these results)