| 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 | 45.2 | Very low | 37.8 | Very low | 242 Ų | 242 | 158.1 Ų | 158.1 | 100% | 1.192 | 82% | 0.823 | S | S | * | * | 0 | 125.1 | 0 | -79.8 | 174.6 | 147.9 | 0 | 0 | 108.7 | |||||
| 2 | P | 37.3 | Very low | 38 | Very low | 129 Ų | 129 | 151.1 Ų | 151.1 | 84% | 0.838 | 82% | 0.818 | S | S | * | * | trans | -126 | 159.4 | 140.8 | 25.7 | -8.1 | 0 | 0 | 0 | 111.8 | ||||
| 3 | F | 33.2 | Very low | 39 | Very low | 207 Ų | 207 | 150.9 Ų | 150.9 | 91% | 0.908 | 81% | 0.808 | S | S | * | * | trans | -69.7 | 141.9 | -157.8 | -83.8 | -112.4 | 0 | 0 | 0 | 115.4 | ||||
| 4 | L | 42.3 | Very low | 40 | Very low | 167 Ų | 167 | 144.7 Ų | 144.7 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | -71.4 | 124.3 | 152.7 | -83.1 | 153.6 | 0 | 0 | 0 | 108.9 | ||||
| 5 | G | 31.8 | Very low | 41.3 | Very low | 77 Ų | 77 | 144.6 Ų | 144.6 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | trans | -121.7 | 117.9 | 157.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 6 | Q | 42 | Very low | 42.6 | Very low | 186 Ų | 186 | 140.3 Ų | 140.3 | 87% | 0.869 | 75% | 0.747 | S | S | * | * | trans | -77.8 | 119.9 | -173.2 | -72.8 | 171.1 | -32.2 | 0 | 0 | 111.9 | ||||
| 7 | D | 35.7 | Very low | 42.8 | Very low | 123 Ų | 123 | 140.9 Ų | 140.9 | 66% | 0.658 | 74% | 0.742 | S | S | * | * | trans | -142.9 | 114.4 | 138.1 | -163.9 | -6.5 | 0 | 0 | 0 | 108.8 | R9 | D7-R9 PolarHBondContact OD1-N 3.01Š| ||
| 8 | W | 39.8 | Very low | 44.1 | Very low | 205 Ų | 205 | 136.6 Ų | 136.6 | 78% | 0.777 | 72% | 0.722 | S | S | * | * | trans | -102.3 | 13.3 | -170.8 | 57.9 | -81.7 | 0 | 0 | 0 | 112.5 | ||||
| 9 | R | 38.1 | Very low | 44.5 | Very low | 192 Ų | 192 | 135 Ų | 135 | 73% | 0.725 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -124 | 19.4 | -174.2 | -59.5 | -174.2 | 81.8 | 156.1 | 3 | 115.6 | D7 | D7-R9 PolarHBondContact OD1-N 3.01Š|
| 10 | S | 32.6 | Very low | 44.6 | Very low | 89 Ų | 89 | 135.8 Ų | 135.8 | 62% | 0.622 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -109.3 | 136.1 | 167.7 | -70.1 | 0 | 0 | 0 | 0 | 110.6 | G12 | S10-G12 PolarHBondContact O-N 3.22Š|
| 11 | P | 37.9 | Very low | 45.4 | Very low | 122 Ų | 122 | 130.7 Ų | 130.7 | 79% | 0.792 | 71% | 0.713 | S | S | * | * | trans | -65.8 | 114.8 | 176.4 | 27.2 | -29.4 | 0 | 0 | 0 | 107.8 | Q13 | P11-Q13 PolarHBondContact O-N 3.02Š| ||
| 12 | G | 40.2 | Very low | 46.1 | Very low | 74 Ų | 74 | 126.9 Ų | 126.9 | 76% | 0.763 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 123.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | S10 S14 | S10-G12 PolarHBondContact O-N 3.22Å; G12-S14 PolarHBondContact O-N 3.46Å |
| 13 | Q | 51.6 | Low | 46.7 | Very low | 149 Ų | 149 | 126.9 Ų | 126.9 | 70% | 0.696 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 117.5 | -173.3 | -63.1 | 174.8 | -2.3 | 0 | 0 | 110.2 | P11 | P11-Q13 PolarHBondContact O-N 3.02Š|
| 14 | S | 51.8 | Low | 47.7 | Very low | 64 Ų | 64 | 123.9 Ų | 123.9 | 45% | 0.448 | 66% | 0.655 | S | S | . | * | P | Polyproline II helix | trans | -87.8 | 127.5 | -179.6 | 52.1 | 0 | 0 | 0 | 0 | 112 | G12 F25 | G12-S14 PolarHBondContact O-N 3.46Å; S14-F25 WeakPolarHBondContact O-CB 3.42Å; S14-F25 PolarHBondContact O-N 3.07Å; S14-F25 VanDerWaalsContact O-N 3.11Å |
| 15 | W | 59.8 | Low | 48 | Very low | 143 Ų | 143 | 122.1 Ų | 122.1 | 54% | 0.542 | 64% | 0.641 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104 | 138 | 174 | -69 | 83.4 | 0 | 0 | 0 | 110.2 | W22 R24 | W15-W22 HydrophobicContact CB-CE3 4.06Å; W15-W22 HydrophobicContact CE3-CB 4.2Å; W15-R24 HydrophobicContact CE3-CB 4.18Å; W15-R24 HydrophobicContact CH2-CB 4.18Å; W15-R24 HydrophobicContact CZ2-CB 4.48Å; W15-R24 HydrophobicContact CZ2-CG 4.44Å; W15-R24 HydrophobicContact CZ3-CB 4.01Å |
| 16 | V | 63 | Low | 48.7 | Very low | 75 Ų | 75 | 124.6 Ų | 124.6 | 46% | 0.455 | 64% | 0.635 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.2 | 135 | 178.2 | -175.3 | 0 | 0 | 0 | 0 | 109.7 | K23 F25 | V16-K23 PolarHBondContact N-O 3.37Å; V16-K23 PolarHBondContact O-N 2.91Å; V16-F25 HydrophobicContact CG2-CD2 4.21Å |
| 17 | K | 44.7 | Very low | 48.5 | Very low | 152 Ų | 152 | 122.1 Ų | 122.1 | 66% | 0.661 | 63% | 0.628 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -81.7 | 124.2 | 178.5 | -163.6 | 176.7 | -178.3 | -179.4 | 0 | 109.7 | W22 | K17-W22 HydrophobicContact CB-CD2 4.05Å; K17-W22 HydrophobicContact CB-CE3 3.84Å; K17-W22 HydrophobicContact CB-CH2 3.93Å; K17-W22 HydrophobicContact CB-CZ2 4.12Å; K17-W22 HydrophobicContact CB-CZ3 3.79Å; K17-W22 HydrophobicContact CD-CH2 4.4Å; K17-W22 HydrophobicContact CD-CZ2 3.93Å; K17-W22 HydrophobicContact CG-CD2 4.23Å; K17-W22 HydrophobicContact CG-CZ2 4.22Å |
| 18 | T | 66.6 | Low | 48.5 | Very low | 63 Ų | 63 | 125 Ų | 125 | 39% | 0.387 | 64% | 0.637 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.5 | 171.4 | 176.3 | 59.3 | 0 | 0 | 0 | 0 | 110.5 | D20 G21 | T18-D20 PolarHBondContact O-N 2.94Å; T18-D20 VanDerWaalsContact O-N 3.13Å; T18-G21 WeakPolarHBondContact CA-O 3.45Å; T18-G21 PolarHBondContact N-O 2.86Å; T18-G21 PolarHBondContact O-N 3.45Å; T18-G21 PolarHBondContact OG1-O 3.43Å |
| 19 | A | 52.1 | Low | 48.4 | Very low | 106 Ų | 106 | 124.4 Ų | 124.4 | 88% | 0.876 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.7 | -27.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 20 | D | 47.3 | Very low | 47.9 | Very low | 150 Ų | 150 | 120.8 Ų | 120.8 | 80% | 0.802 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | 12.8 | -179.8 | -53.1 | -41.8 | 0 | 0 | 0 | 113.6 | T18 | T18-D20 PolarHBondContact O-N 2.94Å; T18-D20 VanDerWaalsContact O-N 3.13Å |
| 21 | G | 60.9 | Low | 47.6 | Very low | 29 Ų | 29 | 120.3 Ų | 120.3 | 30% | 0.299 | 65% | 0.653 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | 119.6 | -165.3 | 179 | 0 | 0 | 0 | 0 | 0 | 114.7 | T18 | T18-G21 WeakPolarHBondContact CA-O 3.45Å; T18-G21 PolarHBondContact N-O 2.86Å; T18-G21 PolarHBondContact O-N 3.45Å; T18-G21 PolarHBondContact OG1-O 3.43Å |
| 22 | W | 60.2 | Low | 47.1 | Very low | 162 Ų | 162 | 119.9 Ų | 119.9 | 61% | 0.614 | 65% | 0.653 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -83.1 | 123.6 | -179.4 | -68.2 | 96.5 | 0 | 0 | 0 | 111 | W15 K17 | W15-W22 HydrophobicContact CB-CE3 4.06Å; W15-W22 HydrophobicContact CE3-CB 4.2Å; K17-W22 HydrophobicContact CB-CD2 4.05Å; K17-W22 HydrophobicContact CB-CE3 3.84Å; K17-W22 HydrophobicContact CB-CH2 3.93Å; K17-W22 HydrophobicContact CB-CZ2 4.12Å; K17-W22 HydrophobicContact CB-CZ3 3.79Å; K17-W22 HydrophobicContact CD-CH2 4.4Å; K17-W22 HydrophobicContact CD-CZ2 3.93Å; K17-W22 HydrophobicContact CG-CD2 4.23Å; K17-W22 HydrophobicContact CG-CZ2 4.22Å |
| 23 | K | 49 | Very low | 46.5 | Very low | 129 Ų | 129 | 125.8 Ų | 125.8 | 56% | 0.561 | 66% | 0.658 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -117.4 | 144.9 | 173.7 | -81 | -177.3 | 176.1 | 173.8 | 0 | 110.8 | V16 | V16-K23 PolarHBondContact N-O 3.37Å; V16-K23 PolarHBondContact O-N 2.91Å |
| 24 | R | 54.7 | Low | 45.5 | Very low | 144 Ų | 144 | 123.6 Ų | 123.6 | 54% | 0.543 | 66% | 0.655 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.9 | 132.3 | -178.7 | -166.8 | 175.3 | 64.7 | -167.1 | -0.8 | 109.9 | W15 L26 | W15-R24 HydrophobicContact CE3-CB 4.18Å; W15-R24 HydrophobicContact CH2-CB 4.18Å; W15-R24 HydrophobicContact CZ2-CB 4.48Å; W15-R24 HydrophobicContact CZ2-CG 4.44Å; W15-R24 HydrophobicContact CZ3-CB 4.01Å; R24-L26 PolarHBondContact O-N 3.1Å |
| 25 | F | 47.5 | Very low | 44.3 | Very low | 131 Ų | 131 | 126 Ų | 126 | 58% | 0.575 | 67% | 0.671 | S | S | * | * | trans | -79.6 | 114.9 | 176.7 | -160.5 | -96.9 | 0 | 0 | 0 | 109.1 | S14 V16 | S14-F25 WeakPolarHBondContact O-CB 3.42Å; S14-F25 PolarHBondContact O-N 3.07Å; S14-F25 VanDerWaalsContact O-N 3.11Å; V16-F25 HydrophobicContact CG2-CD2 4.21Å | ||
| 26 | L | 46.6 | Very low | 42.8 | Very low | 128 Ų | 128 | 126.2 Ų | 126.2 | 67% | 0.67 | 68% | 0.683 | S | S | * | * | trans | -102.9 | 118.4 | 172.8 | -93.1 | 133.7 | 0 | 0 | 0 | 108.4 | R24 E28 | R24-L26 PolarHBondContact O-N 3.1Å; L26-E28 PolarHBondContact O-N 2.76Å | ||
| 27 | D | 38.7 | Very low | 41.1 | Very low | 134 Ų | 134 | 131 Ų | 131 | 72% | 0.717 | 71% | 0.705 | S | S | * | * | trans | -77.5 | 102.5 | 175.5 | -157.1 | 12 | 0 | 0 | 0 | 108.1 | K29 | D27-K29 VanDerWaalsContact C-N 3.3Å; D27-K29 PolarHBondContact O-N 3.05Å | ||
| 28 | E | 36.1 | Very low | 40.1 | Very low | 184 Ų | 184 | 128.2 Ų | 128.2 | 86% | 0.86 | 71% | 0.705 | S | S | * | * | trans | -73.6 | 82.7 | 179.1 | -82.5 | -171.9 | 163 | 0 | 0 | 111 | L26 | L26-E28 PolarHBondContact O-N 2.76Š| ||
| 29 | K | 36.9 | Very low | 38.2 | Very low | 192 Ų | 192 | 129.8 Ų | 129.8 | 84% | 0.835 | 72% | 0.719 | S | S | * | * | trans | -134.3 | 73.5 | 155.6 | -76.3 | -170.2 | -179.5 | 175 | 0 | 110.7 | D27 | D27-K29 VanDerWaalsContact C-N 3.3Å; D27-K29 PolarHBondContact O-N 3.05Å | ||
| 30 | S | 28.3 | Very low | 36.9 | Very low | 117 Ų | 117 | 134.2 Ų | 134.2 | 82% | 0.818 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -168.9 | 115.3 | 155.1 | 54.2 | 0 | 0 | 0 | 0 | 112.1 | ||
| 31 | G | 26.2 | Very low | 35.8 | Very low | 78 Ų | 78 | 133.5 Ų | 133.5 | 80% | 0.804 | 72% | 0.719 | S | S | * | * | trans | 67.5 | 106.3 | 138.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 32 | S | 27.8 | Very low | 34 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 80% | 0.797 | 74% | 0.739 | S | S | * | * | trans | 36.8 | 109.4 | 134.4 | 178.3 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 33 | F | 27.5 | Very low | 32.5 | Very low | 198 Ų | 198 | 139.7 Ų | 139.7 | 87% | 0.868 | 75% | 0.749 | S | S | * | * | trans | -150.4 | 136.9 | 134.6 | -153.3 | -105.3 | 0 | 0 | 0 | 112.1 | ||||
| 34 | V | 29.3 | Very low | 31.4 | Very low | 102 Ų | 102 | 142.6 Ų | 142.6 | 62% | 0.618 | 76% | 0.764 | S | S | * | * | trans | -72.1 | 141.8 | 178.5 | 171.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 35 | S | 28.2 | Very low | 30.1 | Very low | 114 Ų | 114 | 141.7 Ų | 141.7 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | trans | -157.8 | 107.5 | 151.4 | -64.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 36 | D | 26.7 | Very low | 29 | Very low | 148 Ų | 148 | 145.3 Ų | 145.3 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -54.6 | 137.9 | 165.5 | -70.4 | -56.7 | 0 | 0 | 0 | 111.7 | ||||
| 37 | L | 28.2 | Very low | 28.1 | Very low | 176 Ų | 176 | 146.4 Ų | 146.4 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | trans | -142.8 | 106.8 | 145.1 | -157.3 | 67.6 | 0 | 0 | 0 | 110.2 | ||||
| 38 | S | 24.4 | Very low | 27.9 | Very low | 94 Ų | 94 | 149.5 Ų | 149.5 | 66% | 0.657 | 80% | 0.799 | S | S | * | * | trans | -66.4 | 162.1 | 173.1 | 51 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 39 | S | 24.9 | Very low | 27.5 | Very low | 95 Ų | 95 | 149.3 Ų | 149.3 | 66% | 0.664 | 80% | 0.798 | S | S | * | * | trans | 87.5 | 135.9 | 154.6 | 89.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 40 | Y | 24.7 | Very low | 27.2 | Very low | 199 Ų | 199 | 147.6 Ų | 147.6 | 78% | 0.78 | 80% | 0.798 | S | S | * | * | cis | -148.1 | 142.6 | 20.5 | -96.1 | -95.5 | 0 | 0 | 0 | 109.5 | ||||
| 41 | C | 24.4 | Very low | 27.4 | Very low | 135 Ų | 135 | 150.2 Ų | 150.2 | 91% | 0.912 | 80% | 0.802 | S | S | * | * | -177.5 | 124.5 | 120.9 | -99.2 | 0 | 0 | 0 | 0 | 111 | |||||
| 42 | N | 24.5 | Very low | 27.6 | Very low | 133 Ų | 133 | 155.8 Ų | 155.8 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | trans | -88.5 | 148.2 | -174.6 | -87.3 | -46.1 | 0 | 0 | 0 | 112.8 | ||||
| 43 | K | 27.8 | Very low | 27.8 | Very low | 189 Ų | 189 | 156.2 Ų | 156.2 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | 61.1 | 141.6 | 144.9 | -68.8 | 179.1 | 174.4 | 177.7 | 0 | 117 | ||||
| 44 | E | 26.2 | Very low | 28 | Very low | 189 Ų | 189 | 152 Ų | 152 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | cis | -151.7 | 163.1 | 47.1 | -75.6 | 178.5 | 168.6 | 0 | 0 | 113.8 | ||||
| 45 | V | 27.3 | Very low | 28.3 | Very low | 125 Ų | 125 | 154.5 Ų | 154.5 | 76% | 0.758 | 80% | 0.802 | S | S | * | * | trans | -101 | 130.5 | -177 | 178.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 46 | Y | 25.5 | Very low | 28.7 | Very low | 207 Ų | 207 | 155.2 Ų | 155.2 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | trans | 158.9 | 113.8 | 130.8 | -108.8 | -95.1 | 0 | 0 | 0 | 110.6 | ||||
| 47 | N | 27.1 | Very low | 29.1 | Very low | 151 Ų | 151 | 156 Ų | 156 | 81% | 0.807 | 79% | 0.79 | S | S | * | * | 177.6 | 112.3 | 114.9 | -92.7 | -18.7 | 0 | 0 | 0 | 110.1 | |||||
| 48 | K | 33.4 | Very low | 29.5 | Very low | 200 Ų | 200 | 152.6 Ų | 152.6 | 87% | 0.87 | 77% | 0.773 | S | S | * | * | trans | -73.6 | 117.2 | 160.9 | -77.3 | 175.9 | 174.6 | 174.6 | 0 | 106.7 | ||||
| 49 | E | 28.6 | Very low | 30.3 | Very low | 179 Ų | 179 | 153.3 Ų | 153.3 | 84% | 0.836 | 77% | 0.773 | S | S | * | * | trans | -179.7 | 103.2 | 148.3 | -101.9 | 164.5 | -144.6 | 0 | 0 | 106.8 | ||||
| 50 | N | 29.9 | Very low | 31.2 | Very low | 156 Ų | 156 | 150.5 Ų | 150.5 | 83% | 0.834 | 76% | 0.755 | S | S | * | * | trans | 161.3 | 71 | 152.7 | -80.7 | -37 | 0 | 0 | 0 | 109.6 | F52 | N50-F52 PolarHBondContact O-N 3.3Š| ||
| 51 | L | 32.9 | Very low | 32.1 | Very low | 172 Ų | 172 | 143 Ų | 143 | 90% | 0.901 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | 52.6 | 174.1 | -162.4 | 79.6 | 0 | 0 | 0 | 111.1 | ||
| 52 | F | 29.8 | Very low | 33 | Very low | 196 Ų | 196 | 143.5 Ų | 143.5 | 86% | 0.86 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.5 | 18.1 | -179.8 | -104 | -77 | 0 | 0 | 0 | 116.1 | N50 | N50-F52 PolarHBondContact O-N 3.3Š|
| 53 | N | 33.3 | Very low | 34 | Very low | 123 Ų | 123 | 144.1 Ų | 144.1 | 66% | 0.658 | 72% | 0.718 | S | S | * | * | trans | -120.1 | 17.5 | -179.6 | -93.9 | -19.3 | 0 | 0 | 0 | 115.5 | L55 | N53-L55 VanDerWaalsContact C-N 3.32Å; N53-L55 PolarHBondContact O-N 3.11Å | ||
| 54 | S | 32 | Very low | 34.8 | Very low | 109 Ų | 109 | 142.8 Ų | 142.8 | 76% | 0.762 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -7.6 | -170.1 | 72.9 | 0 | 0 | 0 | 0 | 116.3 | ||
| 55 | L | 33.8 | Very low | 35.5 | Very low | 154 Ų | 154 | 141.4 Ų | 141.4 | 81% | 0.806 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -16.3 | -179.3 | -115 | 82.3 | 0 | 0 | 0 | 115.2 | N53 | N53-L55 VanDerWaalsContact C-N 3.32Å; N53-L55 PolarHBondContact O-N 3.11Å |
| 56 | N | 37.6 | Very low | 36.1 | Very low | 129 Ų | 129 | 142.8 Ų | 142.8 | 69% | 0.69 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -97.8 | -8.4 | -175.3 | -91.2 | -28.6 | 0 | 0 | 0 | 114.7 | ||
| 57 | Y | 34.9 | Very low | 36.9 | Very low | 164 Ų | 164 | 137 Ų | 137 | 64% | 0.643 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -79.9 | -24.2 | -179 | -113.5 | -91.6 | 0 | 0 | 0 | 113.7 | A60 A61 | Y57-A60 PolarHBondContact O-N 3.04Å; Y57-A61 VanDerWaalsContact O-CB 3.27Å; Y57-A61 WeakPolarHBondContact O-CB 3.39Å; Y57-A61 PolarHBondContact O-N 3.18Å |
| 58 | D | 36.4 | Very low | 37.5 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 57% | 0.567 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -75.8 | -29.9 | -174.4 | -122.7 | -11.2 | 0 | 0 | 0 | 112.9 | K62 | D58-K62 WeakPolarHBondContact O-CB 3.33Å; D58-K62 VanDerWaalsContact O-CG 3.24Å; D58-K62 WeakPolarHBondContact O-CG 3.46Å; D58-K62 PolarHBondContact O-N 2.69Å; D58-K62 VanDerWaalsContact O-N 3.14Å |
| 59 | V | 41.8 | Very low | 37.8 | Very low | 109 Ų | 109 | 132.9 Ų | 132.9 | 66% | 0.661 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -75.4 | -38.6 | 174.8 | -177.2 | 0 | 0 | 0 | 0 | 111 | K63 | V59-K63 WeakPolarHBondContact O-CB 3.45Å; V59-K63 PolarHBondContact O-N 3.41Å |
| 60 | A | 44.3 | Very low | 38.3 | Very low | 35 Ų | 35 | 128.7 Ų | 128.7 | 29% | 0.289 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -70.8 | -37.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y57 K63 R64 | Y57-A60 PolarHBondContact O-N 3.04Å; A60-K63 PolarHBondContact O-N 3.31Å; A60-R64 WeakPolarHBondContact O-CG 3.46Å; A60-R64 PolarHBondContact O-N 3.28Å |
| 61 | A | 43 | Very low | 38.5 | Very low | 42 Ų | 42 | 123.3 Ų | 123.3 | 35% | 0.347 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -69.5 | -38.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y57 R64 K65 | Y57-A61 VanDerWaalsContact O-CB 3.27Å; Y57-A61 WeakPolarHBondContact O-CB 3.39Å; Y57-A61 PolarHBondContact O-N 3.18Å; A61-R64 PolarHBondContact O-N 3.18Å; A61-K65 PolarHBondContact O-N 3.26Å |
| 62 | K | 42.8 | Very low | 38.4 | Very low | 145 Ų | 145 | 123.7 Ų | 123.7 | 63% | 0.63 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -66.9 | -35.9 | 172.8 | -73.8 | 174.8 | -176.5 | 174.4 | 0 | 112.3 | D58 K66 | D58-K62 WeakPolarHBondContact O-CB 3.33Å; D58-K62 VanDerWaalsContact O-CG 3.24Å; D58-K62 WeakPolarHBondContact O-CG 3.46Å; D58-K62 PolarHBondContact O-N 2.69Å; D58-K62 VanDerWaalsContact O-N 3.14Å; K62-K66 PolarHBondContact O-N 2.95Å; K62-K66 VanDerWaalsContact O-N 3.07Å |
| 63 | K | 44.8 | Very low | 38.5 | Very low | 147 Ų | 147 | 116.3 Ų | 116.3 | 64% | 0.639 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65.4 | -45.2 | 173.1 | -167.6 | 175 | -179.7 | 179.6 | 0 | 112 | V59 A60 K65 K66 D67 | V59-K63 WeakPolarHBondContact O-CB 3.45Å; V59-K63 PolarHBondContact O-N 3.41Å; A60-K63 PolarHBondContact O-N 3.31Å; K63-K65 PolarHBondContact O-N 3.31Å; K63-K66 PolarHBondContact O-N 3.21Å; K63-D67 VanDerWaalsContact O-CG 3.24Å; K63-D67 PolarHBondContact O-N 3.28Å |
| 64 | R | 45.7 | Very low | 38.7 | Very low | 161 Ų | 161 | 117.6 Ų | 117.6 | 61% | 0.608 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -67.3 | -34.4 | 177 | -71.2 | -179.9 | -163.1 | 159.1 | 5.1 | 113.5 | A60 A61 D67 M68 | A60-R64 WeakPolarHBondContact O-CG 3.46Å; A60-R64 PolarHBondContact O-N 3.28Å; A61-R64 PolarHBondContact O-N 3.18Å; R64-D67 PolarHBondContact O-N 2.79Å; R64-M68 PolarHBondContact O-N 3.39Å |
| 65 | K | 40.5 | Very low | 39 | Very low | 160 Ų | 160 | 118.3 Ų | 118.3 | 70% | 0.696 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -68.3 | -37.9 | 172.5 | -85.1 | -176.7 | 175.5 | 178 | 0 | 112.5 | A61 K63 D67 M68 L69 | A61-K65 PolarHBondContact O-N 3.26Å; K63-K65 PolarHBondContact O-N 3.31Å; K65-D67 VanDerWaalsContact C-N 3.35Å; K65-M68 PolarHBondContact O-N 3.33Å; K65-L69 PolarHBondContact O-N 3.2Å; K65-L69 VanDerWaalsContact O-N 3.14Å |
| 66 | K | 41 | Very low | 39 | Very low | 154 Ų | 154 | 117.4 Ų | 117.4 | 67% | 0.67 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -63.4 | -40.8 | 171.2 | -172.2 | 173.1 | -179.1 | 173.6 | 0 | 111.3 | K62 K63 L69 N70 | K62-K66 PolarHBondContact O-N 2.95Å; K62-K66 VanDerWaalsContact O-N 3.07Å; K63-K66 PolarHBondContact O-N 3.21Å; K66-L69 PolarHBondContact O-N 2.96Å; K66-N70 WeakPolarHBondContact O-CB 3.45Å; K66-N70 PolarHBondContact O-N 3.19Å |
| 67 | D | 42.4 | Very low | 39.1 | Very low | 85 Ų | 85 | 120.1 Ų | 120.1 | 46% | 0.455 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -70.2 | -30.5 | 178.5 | -67.8 | -27.9 | 0 | 0 | 0 | 113.4 | K63 R64 K65 N70 S71 | K63-D67 VanDerWaalsContact O-CG 3.24Å; K63-D67 PolarHBondContact O-N 3.28Å; R64-D67 PolarHBondContact O-N 2.79Å; K65-D67 VanDerWaalsContact C-N 3.35Å; D67-N70 CarbonylContact O-C 3.57Å; D67-N70 WeakPolarHBondContact O-CB 3.38Å; D67-N70 PolarHBondContact O-N 3.47Å; D67-S71 PolarHBondContact O-N 2.9Å |
| 68 | M | 39.2 | Very low | 39.7 | Very low | 132 Ų | 132 | 115.9 Ų | 115.9 | 65% | 0.65 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -73.3 | -35.8 | 172.5 | -79.3 | -126.7 | 83.4 | 0 | 0 | 113.4 | R64 K65 N70 S71 | R64-M68 PolarHBondContact O-N 3.39Å; K65-M68 PolarHBondContact O-N 3.33Å; M68-N70 VanDerWaalsContact C-N 3.26Å; M68-S71 PolarHBondContact O-N 3.29Å; M68-S71 PolarHBondContact O-OG 3.3Å; M68-S71 VanDerWaalsContact O-OG 3.08Å |
| 69 | L | 39.5 | Very low | 40.3 | Very low | 132 Ų | 132 | 116.5 Ų | 116.5 | 69% | 0.691 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -69.1 | -27.8 | 167.4 | -92.7 | 107.2 | 0 | 0 | 0 | 111.9 | K65 K66 S71 T73 | K65-L69 PolarHBondContact O-N 3.2Å; K65-L69 VanDerWaalsContact O-N 3.14Å; K66-L69 PolarHBondContact O-N 2.96Å; L69-S71 VanDerWaalsContact C-N 3.33Å; L69-T73 PolarHBondContact O-N 3.42Å; L69-T73 PolarHBondContact O-OG1 2.92Å; L69-T73 VanDerWaalsContact O-OG1 3.08Å |
| 70 | N | 39.5 | Very low | 41.4 | Very low | 91 Ų | 91 | 116.6 Ų | 116.6 | 49% | 0.487 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -74 | -22.6 | 174.3 | -125.6 | 3 | 0 | 0 | 0 | 113 | K66 D67 M68 T73 K74 | K66-N70 WeakPolarHBondContact O-CB 3.45Å; K66-N70 PolarHBondContact O-N 3.19Å; D67-N70 CarbonylContact O-C 3.57Å; D67-N70 WeakPolarHBondContact O-CB 3.38Å; D67-N70 PolarHBondContact O-N 3.47Å; M68-N70 VanDerWaalsContact C-N 3.26Å; N70-T73 WeakPolarHBondContact CA-OG1 3.4Å; N70-T73 PolarHBondContact O-N 3.34Å; N70-T73 PolarHBondContact O-OG1 3.23Å; N70-T73 VanDerWaalsContact O-OG1 3.07Å; N70-T73 PolarHBondContact OD1-OG1 3.37Å; N70-K74 PolarHBondContact O-N 3.33Å |
| 71 | S | 33.4 | Very low | 42.8 | Very low | 43 Ų | 43 | 117.4 Ų | 117.4 | 30% | 0.301 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -75.6 | -33.8 | 176.2 | 87.3 | 0 | 0 | 0 | 0 | 112 | D67 M68 L69 T73 K74 | D67-S71 PolarHBondContact O-N 2.9Å; M68-S71 PolarHBondContact O-N 3.29Å; M68-S71 PolarHBondContact O-OG 3.3Å; M68-S71 VanDerWaalsContact O-OG 3.08Å; L69-S71 VanDerWaalsContact C-N 3.33Å; S71-T73 VanDerWaalsContact C-N 3.27Å; S71-T73 PolarHBondContact O-N 3.14Å; S71-K74 WeakPolarHBondContact O-CB 3.46Å; S71-K74 PolarHBondContact O-N 3.35Å |
| 72 | K | 29.8 | Very low | 44.6 | Very low | 181 Ų | 181 | 123 Ų | 123 | 79% | 0.787 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -72.7 | -17.3 | 172 | -71.6 | -172.5 | 176.3 | -176.2 | 0 | 113.6 | ||
| 73 | T | 32.6 | Very low | 46.7 | Very low | 40 Ų | 40 | 119.5 Ų | 119.5 | 25% | 0.245 | 55% | 0.553 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -96.1 | -0.4 | 171.3 | 40.2 | 0 | 0 | 0 | 0 | 113.6 | L69 N70 S71 T75 Q76 | L69-T73 PolarHBondContact O-N 3.42Å; L69-T73 PolarHBondContact O-OG1 2.92Å; L69-T73 VanDerWaalsContact O-OG1 3.08Å; N70-T73 WeakPolarHBondContact CA-OG1 3.4Å; N70-T73 PolarHBondContact O-N 3.34Å; N70-T73 PolarHBondContact O-OG1 3.23Å; N70-T73 VanDerWaalsContact O-OG1 3.07Å; N70-T73 PolarHBondContact OD1-OG1 3.37Å; S71-T73 VanDerWaalsContact C-N 3.27Å; S71-T73 PolarHBondContact O-N 3.14Å; T73-T75 PolarHBondContact O-N 3.42Å; T73-Q76 PolarHBondContact O-N 3.36Å; T73-Q76 VanDerWaalsContact O-N 3.08Å |
| 74 | K | 38.2 | Very low | 48.8 | Very low | 150 Ų | 150 | 112.5 Ų | 112.5 | 65% | 0.652 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -18.3 | 175.5 | -82.6 | 177 | -178.7 | -179.8 | 0 | 113.7 | N70 S71 | N70-K74 PolarHBondContact O-N 3.33Å; S71-K74 WeakPolarHBondContact O-CB 3.46Å; S71-K74 PolarHBondContact O-N 3.35Å |
| 75 | T | 37.8 | Very low | 50.7 | Low | 124 Ų | 124 | 108.9 Ų | 108.9 | 76% | 0.761 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | -9.2 | 179.9 | -15 | 0 | 0 | 0 | 0 | 113.6 | T73 | T73-T75 PolarHBondContact O-N 3.42Š|
| 76 | Q | 33.4 | Very low | 52.8 | Low | 136 Ų | 136 | 101.8 Ų | 101.8 | 64% | 0.636 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -92.6 | -5.2 | -169.7 | -111.1 | 174.8 | -10.2 | 0 | 0 | 115.4 | T73 | T73-Q76 PolarHBondContact O-N 3.36Å; T73-Q76 VanDerWaalsContact O-N 3.08Å |
| 77 | Y | 40.3 | Very low | 54.3 | Low | 186 Ų | 186 | 96.7 Ų | 96.7 | 73% | 0.729 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -108.7 | 0.3 | -176.2 | -74.9 | -79.6 | 0 | 0 | 0 | 115.5 | ||
| 78 | F | 47 | Very low | 55.3 | Low | 74 Ų | 74 | 101 Ų | 101 | 33% | 0.325 | 47% | 0.473 | S | S | . | . | trans | -110.8 | 68.1 | 173.7 | -61.9 | -76.5 | 0 | 0 | 0 | 109 | Q80 N144 | F78-Q80 VanDerWaalsContact C-N 3.35Å; F78-Q80 PolarHBondContact O-N 3.48Å; F78-N144 HydrophobicContact CE1-CB 4.28Å | ||
| 79 | H | 50 | Low | 56.1 | Low | 120 Ų | 120 | 96.9 Ų | 96.9 | 56% | 0.556 | 46% | 0.463 | S | S | * | . | trans | -62.4 | 103.8 | 162 | -87.1 | -75.2 | 0 | 0 | 0 | 107.4 | E81 | H79-E81 HydrophobicContact CB-CG 4.49Å; H79-E81 PolarHBondContact O-N 3.32Å; H79-E81 VanDerWaalsContact O-N 3.13Å | ||
| 80 | Q | 63.6 | Low | 56.7 | Low | 111 Ų | 111 | 95.4 Ų | 95.4 | 52% | 0.519 | 46% | 0.464 | S | S | . | . | trans | -77.8 | 90.4 | 173.1 | -73.5 | 173 | -41.4 | 0 | 0 | 107.6 | F78 D108 | F78-Q80 VanDerWaalsContact C-N 3.35Å; F78-Q80 PolarHBondContact O-N 3.48Å; Q80-D108 HydrophobicContact CB-CB 4.24Å; Q80-D108 HydrophobicContact CG-CB 4.27Å; Q80-D108 PolarHBondContact NE2-OD1 2.98Å; Q80-D108 PolarHBondContact NE2-OD2 2.91Å | ||
| 81 | E | 73.3 | Confident | 57.4 | Low | 51 Ų | 51 | 94.9 Ų | 94.9 | 24% | 0.238 | 46% | 0.464 | C | S | . | . | B | Isolated β-bridge | trans | -82.1 | 133.5 | 176.7 | -67.9 | 171.6 | -157.2 | 0 | 0 | 108.5 | H79 W83 I84 Y97 R106 | H79-E81 HydrophobicContact CB-CG 4.49Å; H79-E81 PolarHBondContact O-N 3.32Å; H79-E81 VanDerWaalsContact O-N 3.13Å; E81-W83 WeakPolarHBondContact CB-O 3.5Å; E81-W83 PolarHBondContact O-N 3.31Å; E81-I84 HydrophobicContact CB-CG2 4.23Å; E81-Y97 PolarHBondContact OE1-OH 2.98Å; E81-Y97 PolarHBondContact OE2-OH 3.05Å; E81-R106 PolarHBondContact N-O 3.35Å; E81-R106 WeakPolarHBondContact OE1-CD 3.38Å; E81-R106 IonicContact OE1-CZ 3.62Å; E81-R106 IonicContact OE1-NE 3.89Å; E81-R106 IonicContact OE1-NH1 2.72Å; E81-R106 PolarHBondContact OE1-NH1 3.41Å |
| 82 | K | 81.4 | Confident | 58.4 | Low | 160 Ų | 160 | 103.6 Ų | 103.6 | 70% | 0.696 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -63.4 | -24.1 | 176 | -68.5 | -176.1 | 178.1 | -179.3 | 0 | 111.6 | ||
| 83 | W | 87.6 | Confident | 59.5 | Low | 71 Ų | 71 | 104 Ų | 104 | 27% | 0.269 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 157.8 | -177.3 | 53.3 | -105.2 | 0 | 0 | 0 | 109.9 | E81 Y85 I322 L323 H330 P331 | E81-W83 WeakPolarHBondContact CB-O 3.5Å; E81-W83 PolarHBondContact O-N 3.31Å; W83-Y85 HydrophobicContact CE3-CE2 4.31Å; W83-Y85 AromaticContact CH2-CE2 3.82Å; W83-Y85 HydrophobicContact CH2-CE2 3.82Å; W83-Y85 AromaticContact CZ3-CD2 3.75Å; W83-Y85 HydrophobicContact CZ3-CD2 3.75Å; W83-Y85 AromaticContact CZ3-CE2 3.28Å; W83-Y85 HydrophobicContact CZ3-CE2 3.28Å; W83-Y85 AromaticContact CZ3-CZ 3.81Å; W83-I322 HydrophobicContact CB-CG2 3.54Å; W83-I322 HydrophobicContact CD2-CG2 4.17Å; W83-I322 HydrophobicContact CE3-CD1 4.14Å; W83-I322 HydrophobicContact CE3-CG1 4.43Å; W83-I322 HydrophobicContact CE3-CG2 4Å; W83-I322 HydrophobicContact CG-CG2 4.01Å; W83-I322 HydrophobicContact CZ3-CD1 4.37Å; W83-L323 CarbonylContact C-O 3.55Å; W83-L323 VanDerWaalsContact CA-O 3.27Å; W83-L323 WeakPolarHBondContact CA-O 3.5Å; W83-H330 HydrophobicContact CB-CB 4.27Å; W83-H330 HydrophobicContact CD2-CB 4.45Å; W83-H330 HydrophobicContact CG-CB 3.94Å; W83-P331 VanDerWaalsContact CE2-CD 3.42Å; W83-P331 HydrophobicContact CH2-CG 3.9Å; W83-P331 VanDerWaalsContact CZ2-CD 3.45Å; W83-P331 HydrophobicContact CZ2-CG 3.57Å |
| 84 | I | 88.1 | Confident | 60.5 | Low | 0 Ų | 0 | 110.5 Ų | 110.5 | 0% | 0 | 52% | 0.522 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 150.8 | -179.5 | 66.9 | 165.5 | 0 | 0 | 0 | 111.6 | E81 V86 Y97 A103 R106 L107 I322 L323 | E81-I84 HydrophobicContact CB-CG2 4.23Å; I84-V86 HydrophobicContact CD1-CG2 4.34Å; I84-V86 HydrophobicContact CG1-CG2 4.29Å; I84-Y97 HydrophobicContact CB-CD2 3.64Å; I84-Y97 HydrophobicContact CB-CE2 3.6Å; I84-Y97 HydrophobicContact CD1-CD2 4.01Å; I84-Y97 HydrophobicContact CG1-CD2 4.26Å; I84-Y97 HydrophobicContact CG2-CD2 4.25Å; I84-Y97 HydrophobicContact CG2-CE2 3.84Å; I84-A103 HydrophobicContact CD1-CB 3.47Å; I84-A103 VanDerWaalsContact CD1-CB 3.47Å; I84-R106 HydrophobicContact CG2-CB 3.78Å; I84-L107 HydrophobicContact CD1-CD1 3.86Å; I84-L107 HydrophobicContact CD1-CD2 4.41Å; I84-L107 HydrophobicContact CD1-CG 3.83Å; I84-L107 HydrophobicContact CG1-CD1 4.24Å; I84-L107 HydrophobicContact CG1-CD2 4.02Å; I84-L107 HydrophobicContact CG1-CG 4Å; I84-L107 HydrophobicContact CG2-CD2 4.01Å; I84-L107 HydrophobicContact CG2-CG 4.09Å; I84-I322 CarbonylContact O-C 3.55Å; I84-I322 WeakPolarHBondContact O-CA 3.42Å; I84-L323 HydrophobicContact CD1-CD2 4.24Å; I84-L323 HydrophobicContact CG1-CB 3.89Å; I84-L323 HydrophobicContact CG1-CD2 4.37Å; I84-L323 HydrophobicContact CG1-CG 4.48Å; I84-L323 PolarHBondContact N-O 3.49Å; I84-L323 PolarHBondContact O-N 3.46Å |
| 85 | Y | 85.8 | Confident | 61.2 | Low | 86 Ų | 86 | 112 Ų | 112 | 34% | 0.337 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 128.1 | 172.4 | -72.1 | -77.9 | 0 | 0 | 0 | 111.5 | W83 Y97 I322 | W83-Y85 HydrophobicContact CE3-CE2 4.31Å; W83-Y85 AromaticContact CH2-CE2 3.82Å; W83-Y85 HydrophobicContact CH2-CE2 3.82Å; W83-Y85 AromaticContact CZ3-CD2 3.75Å; W83-Y85 HydrophobicContact CZ3-CD2 3.75Å; W83-Y85 AromaticContact CZ3-CE2 3.28Å; W83-Y85 HydrophobicContact CZ3-CE2 3.28Å; W83-Y85 AromaticContact CZ3-CZ 3.81Å; Y85-Y97 VanDerWaalsContact O-CD2 3.27Å; Y85-Y97 WeakPolarHBondContact O-CD2 3.33Å; Y85-Y97 PolarHBondContact O-N 3.42Å; Y85-I322 HydrophobicContact CD1-CD1 4.17Å; Y85-I322 HydrophobicContact CD1-CG1 3.53Å; Y85-I322 HydrophobicContact CE1-CD1 3.49Å; Y85-I322 VanDerWaalsContact CE1-CD1 3.49Å; Y85-I322 HydrophobicContact CE1-CG1 3.37Å; Y85-I322 HydrophobicContact CG-CG1 4.32Å |
| 86 | V | 84.1 | Confident | 62.3 | Low | 10 Ų | 10 | 106.8 Ų | 106.8 | 6% | 0.061 | 50% | 0.501 | C | S | . | . | B | Isolated β-bridge | trans | -111.5 | 116.5 | 178.3 | -178.3 | 0 | 0 | 0 | 0 | 109.4 | I84 L316 H321 L323 F353 | I84-V86 HydrophobicContact CD1-CG2 4.34Å; I84-V86 HydrophobicContact CG1-CG2 4.29Å; V86-L316 HydrophobicContact CB-CD1 4.45Å; V86-H321 PolarHBondContact N-O 3.47Å; V86-H321 WeakPolarHBondContact O-CB 3.44Å; V86-L323 HydrophobicContact CG2-CB 3.59Å; V86-L323 HydrophobicContact CG2-CD2 4.09Å; V86-L323 HydrophobicContact CG2-CG 4.48Å; V86-F353 HydrophobicContact CG1-CE1 3.99Å; V86-F353 HydrophobicContact CG1-CZ 4.13Å; V86-F353 HydrophobicContact CG2-CZ 4.17Å |
| 87 | H | 73.8 | Confident | 63.9 | Low | 48 Ų | 48 | 101.8 Ų | 101.8 | 22% | 0.222 | 48% | 0.477 | C | S | . | . | trans | -115.8 | 136.3 | 176.6 | -77.3 | -50.8 | 0 | 0 | 0 | 111.6 | G89 | H87-G89 PolarHBondContact O-N 2.97Š| ||
| 88 | K | 63.2 | Low | 65.4 | Low | 176 Ų | 176 | 94.4 Ų | 94.4 | 77% | 0.765 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -81.4 | 88.4 | 170 | -63.9 | -165.3 | 171.7 | -176.3 | 0 | 108.4 | F355 | K88-F355 HydrophobicContact CB-CE1 3.91Å; K88-F355 HydrophobicContact CB-CZ 4.07Å; K88-F355 HydrophobicContact CD-CE1 4.03Å; K88-F355 HydrophobicContact CD-CZ 4.48Å; K88-F355 HydrophobicContact CG-CE1 3.72Å; K88-F355 HydrophobicContact CG-CZ 3.75Å |
| 89 | G | 55.6 | Low | 67.4 | Low | 44 Ų | 44 | 94 Ų | 94 | 45% | 0.454 | 46% | 0.456 | S | S | . | . | S | Bend | trans | 110.6 | 140 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | H87 | H87-G89 PolarHBondContact O-N 2.97Š|
| 90 | S | 51.3 | Low | 69.3 | Low | 102 Ų | 102 | 88.9 Ų | 88.9 | 71% | 0.713 | 43% | 0.433 | S | S | * | . | trans | -94.8 | 118.2 | 177.6 | -171.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 91 | T | 54.8 | Low | 70.5 | Confident | 79 Ų | 79 | 83.8 Ų | 83.8 | 49% | 0.485 | 41% | 0.41 | S | S | . | . | B | Isolated β-bridge | trans | -115.5 | 143.7 | 166.1 | 54.4 | 0 | 0 | 0 | 0 | 108.3 | E93 R94 | T91-E93 PolarHBondContact O-N 3.48Å; T91-R94 PolarHBondContact O-N 2.66Å |
| 92 | K | 54.2 | Low | 71.3 | Confident | 227 Ų | 227 | 85.4 Ų | 85.4 | 99% | 0.987 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -21 | -178.2 | -72 | -175.4 | 177.3 | 179.3 | 0 | 114.3 | ||
| 93 | E | 54.4 | Low | 71.7 | Confident | 189 Ų | 189 | 77.8 Ų | 77.8 | 88% | 0.883 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -7.8 | -175.6 | -61.5 | 178.8 | 177.9 | 0 | 0 | 114.7 | T91 | T91-E93 PolarHBondContact O-N 3.48Š|
| 94 | R | 52 | Low | 71.9 | Confident | 177 Ų | 177 | 74.4 Ų | 74.4 | 67% | 0.668 | 37% | 0.371 | S | S | * | . | B | Isolated β-bridge | trans | -124.9 | 115.5 | -178.3 | -64.6 | -173.6 | -179.3 | -176 | 0.7 | 111.3 | T91 G96 | T91-R94 PolarHBondContact O-N 2.66Å; R94-G96 PolarHBondContact O-N 3.39Å |
| 95 | H | 53.7 | Low | 72 | Confident | 180 Ų | 180 | 75.7 Ų | 75.7 | 83% | 0.833 | 38% | 0.378 | S | S | * | . | trans | -87 | 87 | -179.2 | -148.5 | 86.6 | 0 | 0 | 0 | 110.2 | ||||
| 96 | G | 60.3 | Low | 72.1 | Confident | 15 Ų | 15 | 75.6 Ų | 75.6 | 16% | 0.155 | 38% | 0.377 | C | S | . | . | trans | -122.1 | 150.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R94 C98 | R94-G96 PolarHBondContact O-N 3.39Å; G96-C98 PolarHBondContact O-N 2.76Å; G96-C98 PolarHBondContact O-SG 3.1Å | ||
| 97 | Y | 66.8 | Low | 72.3 | Confident | 32 Ų | 32 | 75.4 Ų | 75.4 | 13% | 0.125 | 38% | 0.376 | C | S | . | . | B | Isolated β-bridge | trans | -70.7 | 126 | 173.6 | -61.1 | -67.9 | 0 | 0 | 0 | 109.7 | E81 I84 Y85 E102 R106 | E81-Y97 PolarHBondContact OE1-OH 2.98Å; E81-Y97 PolarHBondContact OE2-OH 3.05Å; I84-Y97 HydrophobicContact CB-CD2 3.64Å; I84-Y97 HydrophobicContact CB-CE2 3.6Å; I84-Y97 HydrophobicContact CD1-CD2 4.01Å; I84-Y97 HydrophobicContact CG1-CD2 4.26Å; I84-Y97 HydrophobicContact CG2-CD2 4.25Å; I84-Y97 HydrophobicContact CG2-CE2 3.84Å; Y85-Y97 VanDerWaalsContact O-CD2 3.27Å; Y85-Y97 WeakPolarHBondContact O-CD2 3.33Å; Y85-Y97 PolarHBondContact O-N 3.42Å; Y97-E102 HydrophobicContact CD1-CB 3.74Å; Y97-E102 HydrophobicContact CD1-CG 4.47Å; Y97-E102 HydrophobicContact CG-CB 4.42Å; Y97-R106 HydrophobicContact CE1-CG 3.75Å; Y97-R106 HydrophobicContact CE2-CG 4.42Å; Y97-R106 VanDerWaalsContact OH-CD 3.26Å; Y97-R106 WeakPolarHBondContact OH-CD 3.47Å; Y97-R106 PolarHBondContact OH-NE 2.92Å |
| 98 | C | 73.1 | Confident | 73 | Confident | 30 Ų | 30 | 74.4 Ų | 74.4 | 20% | 0.203 | 37% | 0.372 | C | S | . | . | trans | -109.7 | -14.5 | -171.8 | -65.3 | 0 | 0 | 0 | 0 | 112.1 | G96 E102 | G96-C98 PolarHBondContact O-N 2.76Å; G96-C98 PolarHBondContact O-SG 3.1Å; C98-E102 PolarHBondContact N-OE2 2.72Å; C98-E102 VanDerWaalsContact N-OE2 3.14Å | ||
| 99 | T | 87.3 | Confident | 74.4 | Confident | 66 Ų | 66 | 66.1 Ų | 66.1 | 41% | 0.405 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -122.9 | 151.6 | -177.2 | 71 | 0 | 0 | 0 | 0 | 112.9 | G101 E102 A103 | T99-G101 PolarHBondContact O-N 3.15Å; T99-E102 PolarHBondContact O-N 3.38Å; T99-E102 VanDerWaalsContact OG1-CG 3.28Å; T99-E102 WeakPolarHBondContact OG1-CG 3.26Å; T99-E102 PolarHBondContact OG1-N 3.32Å; T99-A103 PolarHBondContact O-N 2.86Å |
| 100 | L | 90.7 | Very high | 76 | Confident | 13 Ų | 13 | 65 Ų | 65 | 7% | 0.068 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -55.3 | -41.4 | 174 | 178 | 62.8 | 0 | 0 | 0 | 111.7 | A103 F104 Q133 L137 F349 I350 F353 | L100-A103 PolarHBondContact O-N 3.03Å; L100-F104 WeakPolarHBondContact O-CB 3.41Å; L100-F104 PolarHBondContact O-N 2.93Å; L100-Q133 HydrophobicContact CD2-CB 3.99Å; L100-Q133 HydrophobicContact CD2-CG 4.1Å; L100-L137 HydrophobicContact CB-CD2 4.42Å; L100-L137 HydrophobicContact CD2-CD2 4.07Å; L100-L137 HydrophobicContact CG-CD2 4.03Å; L100-F349 HydrophobicContact CD1-CD1 4.19Å; L100-F349 HydrophobicContact CD1-CE1 3.51Å; L100-F349 HydrophobicContact CD1-CZ 3.95Å; L100-I350 HydrophobicContact CD1-CG1 4.33Å; L100-I350 HydrophobicContact CD2-CG1 4.39Å; L100-I350 HydrophobicContact CD2-CG2 4.38Å; L100-F353 HydrophobicContact CB-CB 3.95Å; L100-F353 HydrophobicContact CB-CD2 4.3Å; L100-F353 HydrophobicContact CB-CG 4.24Å; L100-F353 HydrophobicContact CD1-CD2 3.99Å |
| 101 | G | 89.8 | Confident | 77.8 | Confident | 4 Ų | 4 | 62.9 Ų | 62.9 | 4% | 0.041 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67 | -35.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | T99 N105 | T99-G101 PolarHBondContact O-N 3.15Å; G101-N105 VanDerWaalsContact O-CG 3.26Å; G101-N105 PolarHBondContact O-N 2.9Å; G101-N105 PolarHBondContact O-ND2 3.3Å; G101-N105 VanDerWaalsContact O-ND2 3.09Å |
| 102 | E | 88.9 | Confident | 79.6 | Confident | 84 Ų | 84 | 59.1 Ų | 59.1 | 39% | 0.393 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -68 | -50.7 | 174.5 | -74.4 | 166.7 | -179 | 0 | 0 | 111.5 | Y97 C98 T99 F104 N105 R106 | Y97-E102 HydrophobicContact CD1-CB 3.74Å; Y97-E102 HydrophobicContact CD1-CG 4.47Å; Y97-E102 HydrophobicContact CG-CB 4.42Å; C98-E102 PolarHBondContact N-OE2 2.72Å; C98-E102 VanDerWaalsContact N-OE2 3.14Å; T99-E102 PolarHBondContact O-N 3.38Å; T99-E102 VanDerWaalsContact OG1-CG 3.28Å; T99-E102 WeakPolarHBondContact OG1-CG 3.26Å; T99-E102 PolarHBondContact OG1-N 3.32Å; E102-F104 VanDerWaalsContact C-N 3.28Å; E102-F104 PolarHBondContact O-N 3.49Å; E102-N105 PolarHBondContact O-N 2.89Å; E102-N105 VanDerWaalsContact O-N 3.14Å; E102-R106 WeakPolarHBondContact O-CG 3.49Å; E102-R106 PolarHBondContact O-N 3.32Å; E102-R106 VanDerWaalsContact O-N 3.16Å |
| 103 | A | 90.2 | Very high | 81.5 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59 | -41.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I84 T99 L100 N105 R106 L107 F349 F353 | I84-A103 HydrophobicContact CD1-CB 3.47Å; I84-A103 VanDerWaalsContact CD1-CB 3.47Å; T99-A103 PolarHBondContact O-N 2.86Å; L100-A103 PolarHBondContact O-N 3.03Å; A103-N105 VanDerWaalsContact C-N 3.3Å; A103-N105 PolarHBondContact O-N 3.26Å; A103-R106 PolarHBondContact O-N 3.3Å; A103-L107 WeakPolarHBondContact O-CB 3.46Å; A103-L107 PolarHBondContact O-N 3.34Å; A103-L107 VanDerWaalsContact O-N 3.08Å; A103-F349 HydrophobicContact CB-CE2 4.4Å; A103-F349 HydrophobicContact CB-CZ 4.31Å; A103-F353 HydrophobicContact CB-CE1 3.86Å; A103-F353 HydrophobicContact CB-CE2 3.85Å; A103-F353 HydrophobicContact CB-CZ 3.33Å |
| 104 | F | 91.4 | Very high | 83.2 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.1 | -30.7 | 177.6 | -174.3 | -102.7 | 0 | 0 | 0 | 113.9 | L100 E102 F109 L125 L126 I129 N144 F145 I148 | L100-F104 WeakPolarHBondContact O-CB 3.41Å; L100-F104 PolarHBondContact O-N 2.93Å; E102-F104 VanDerWaalsContact C-N 3.28Å; E102-F104 PolarHBondContact O-N 3.49Å; F104-F109 AromaticContact CD2-CD2 3.77Å; F104-F109 HydrophobicContact CD2-CD2 3.77Å; F104-F109 AromaticContact CD2-CE2 3.74Å; F104-F109 HydrophobicContact CD2-CE2 3.74Å; F104-F109 HydrophobicContact CD2-CZ 4.47Å; F104-F109 AromaticContact CE2-CD2 3.98Å; F104-F109 HydrophobicContact CE2-CD2 3.98Å; F104-F109 HydrophobicContact CE2-CE2 4.32Å; F104-F109 HydrophobicContact CE2-CG 4.32Å; F104-F109 HydrophobicContact CG-CD2 4.49Å; F104-F109 HydrophobicContact CG-CE2 4.49Å; F104-L125 HydrophobicContact CD2-CD2 4.39Å; F104-L125 HydrophobicContact CE2-CD2 4.37Å; F104-L126 HydrophobicContact CE2-CD2 4.22Å; F104-L126 HydrophobicContact CZ-CD2 3.82Å; F104-I129 HydrophobicContact CD2-CD1 4.02Å; F104-I129 HydrophobicContact CE2-CD1 3.9Å; F104-I129 HydrophobicContact CZ-CD1 4.43Å; F104-N144 HydrophobicContact CE1-CB 4.43Å; F104-N144 PolarHBondContact O-ND2 3.49Å; F104-F145 HydrophobicContact CE1-CB 3.97Å; F104-F145 HydrophobicContact CZ-CB 4.37Å; F104-F145 HydrophobicContact CZ-CD2 4.39Å; F104-I148 HydrophobicContact CE1-CD1 3.8Å; F104-I148 HydrophobicContact CE2-CD1 4.28Å; F104-I148 HydrophobicContact CZ-CD1 3.52Å |
| 105 | N | 90.6 | Very high | 85.1 | Confident | 27 Ų | 27 | 39.1 Ų | 39.1 | 14% | 0.144 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -82.1 | -28.7 | 178.4 | -75.4 | -27.4 | 0 | 0 | 0 | 114.3 | G101 E102 A103 A141 N144 | G101-N105 VanDerWaalsContact O-CG 3.26Å; G101-N105 PolarHBondContact O-N 2.9Å; G101-N105 PolarHBondContact O-ND2 3.3Å; G101-N105 VanDerWaalsContact O-ND2 3.09Å; E102-N105 PolarHBondContact O-N 2.89Å; E102-N105 VanDerWaalsContact O-N 3.14Å; A103-N105 VanDerWaalsContact C-N 3.3Å; A103-N105 PolarHBondContact O-N 3.26Å; N105-A141 WeakPolarHBondContact ND2-CA 3.48Å; N105-A141 PolarHBondContact ND2-N 3.5Å; N105-A141 WeakPolarHBondContact OD1-CA 3.26Å; N105-N144 WeakPolarHBondContact OD1-CB 3.28Å; N105-N144 PolarHBondContact OD1-ND2 3.27Å |
| 106 | R | 87.2 | Confident | 86.9 | Confident | 85 Ų | 85 | 35 Ų | 35 | 32% | 0.321 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -89.7 | -37.9 | -174.7 | -71.3 | -82.3 | -177.4 | 171 | -3.9 | 112.7 | E81 I84 Y97 E102 A103 | E81-R106 PolarHBondContact N-O 3.35Å; E81-R106 WeakPolarHBondContact OE1-CD 3.38Å; E81-R106 IonicContact OE1-CZ 3.62Å; E81-R106 IonicContact OE1-NE 3.89Å; E81-R106 IonicContact OE1-NH1 2.72Å; E81-R106 PolarHBondContact OE1-NH1 3.41Å; I84-R106 HydrophobicContact CG2-CB 3.78Å; Y97-R106 HydrophobicContact CE1-CG 3.75Å; Y97-R106 HydrophobicContact CE2-CG 4.42Å; Y97-R106 VanDerWaalsContact OH-CD 3.26Å; Y97-R106 WeakPolarHBondContact OH-CD 3.47Å; Y97-R106 PolarHBondContact OH-NE 2.92Å; E102-R106 WeakPolarHBondContact O-CG 3.49Å; E102-R106 PolarHBondContact O-N 3.32Å; E102-R106 VanDerWaalsContact O-N 3.16Å; A103-R106 PolarHBondContact O-N 3.3Å |
| 107 | L | 89.6 | Confident | 88.4 | Confident | 5 Ų | 5 | 41.7 Ų | 41.7 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | B | Isolated β-bridge | trans | -70 | 137.9 | 174.3 | -74.4 | 170.9 | 0 | 0 | 0 | 110.6 | I84 A103 F109 L314 L323 F349 | I84-L107 HydrophobicContact CD1-CD1 3.86Å; I84-L107 HydrophobicContact CD1-CD2 4.41Å; I84-L107 HydrophobicContact CD1-CG 3.83Å; I84-L107 HydrophobicContact CG1-CD1 4.24Å; I84-L107 HydrophobicContact CG1-CD2 4.02Å; I84-L107 HydrophobicContact CG1-CG 4Å; I84-L107 HydrophobicContact CG2-CD2 4.01Å; I84-L107 HydrophobicContact CG2-CG 4.09Å; A103-L107 WeakPolarHBondContact O-CB 3.46Å; A103-L107 PolarHBondContact O-N 3.34Å; A103-L107 VanDerWaalsContact O-N 3.08Å; L107-F109 HydrophobicContact CB-CD2 3.95Å; L107-F109 HydrophobicContact CB-CE2 3.55Å; L107-F109 HydrophobicContact CB-CZ 4.16Å; L107-F109 HydrophobicContact CD1-CE2 4.07Å; L107-F109 HydrophobicContact CD1-CZ 4.07Å; L107-F109 HydrophobicContact CG-CE2 4.48Å; L107-F109 WeakPolarHBondContact O-CD2 3.49Å; L107-F109 PolarHBondContact O-N 2.88Å; L107-L314 HydrophobicContact CD1-CD1 4.15Å; L107-L314 HydrophobicContact CD1-CD2 4.26Å; L107-L323 HydrophobicContact CD1-CD2 3.69Å; L107-L323 HydrophobicContact CD1-CG 4.16Å; L107-F349 HydrophobicContact CD1-CE2 4.07Å; L107-F349 HydrophobicContact CD1-CZ 4.47Å |
| 108 | D | 87.6 | Confident | 89.7 | Confident | 28 Ų | 28 | 42.1 Ų | 42.1 | 15% | 0.15 | 22% | 0.217 | C | C | . | . | trans | -81.2 | 68.5 | -175.3 | -164.9 | 7.1 | 0 | 0 | 0 | 112.8 | Q80 S110 T111 A112 | Q80-D108 HydrophobicContact CB-CB 4.24Å; Q80-D108 HydrophobicContact CG-CB 4.27Å; Q80-D108 PolarHBondContact NE2-OD1 2.98Å; Q80-D108 PolarHBondContact NE2-OD2 2.91Å; D108-S110 PolarHBondContact O-N 3.29Å; D108-T111 WeakPolarHBondContact OD1-CG2 3.39Å; D108-T111 PolarHBondContact OD1-N 3.5Å; D108-T111 VanDerWaalsContact OD1-N 3.08Å; D108-T111 PolarHBondContact OD1-OG1 3.22Å; D108-T111 WeakPolarHBondContact OD2-CB 3.25Å; D108-T111 WeakPolarHBondContact OD2-CG2 3.4Å; D108-T111 PolarHBondContact OD2-OG1 3.26Å; D108-A112 VanDerWaalsContact O-CB 3.29Å; D108-A112 WeakPolarHBondContact O-CB 3.39Å; D108-A112 PolarHBondContact O-N 3.44Å | ||
| 109 | F | 92.7 | Very high | 90.7 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 0% | 0.004 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.5 | -25.7 | 171.7 | -69.1 | -71.9 | 0 | 0 | 0 | 112 | F104 L107 A112 I113 V122 L125 I148 L314 W325 F349 | F104-F109 AromaticContact CD2-CD2 3.77Å; F104-F109 HydrophobicContact CD2-CD2 3.77Å; F104-F109 AromaticContact CD2-CE2 3.74Å; F104-F109 HydrophobicContact CD2-CE2 3.74Å; F104-F109 HydrophobicContact CD2-CZ 4.47Å; F104-F109 AromaticContact CE2-CD2 3.98Å; F104-F109 HydrophobicContact CE2-CD2 3.98Å; F104-F109 HydrophobicContact CE2-CE2 4.32Å; F104-F109 HydrophobicContact CE2-CG 4.32Å; F104-F109 HydrophobicContact CG-CD2 4.49Å; F104-F109 HydrophobicContact CG-CE2 4.49Å; L107-F109 HydrophobicContact CB-CD2 3.95Å; L107-F109 HydrophobicContact CB-CE2 3.55Å; L107-F109 HydrophobicContact CB-CZ 4.16Å; L107-F109 HydrophobicContact CD1-CE2 4.07Å; L107-F109 HydrophobicContact CD1-CZ 4.07Å; L107-F109 HydrophobicContact CG-CE2 4.48Å; L107-F109 WeakPolarHBondContact O-CD2 3.49Å; L107-F109 PolarHBondContact O-N 2.88Å; F109-A112 PolarHBondContact O-N 3.02Å; F109-I113 WeakPolarHBondContact O-CD1 3.46Å; F109-I113 WeakPolarHBondContact O-CG1 3.47Å; F109-I113 PolarHBondContact O-N 3.22Å; F109-V122 HydrophobicContact CB-CG1 4.35Å; F109-V122 HydrophobicContact CD1-CG1 4.29Å; F109-V122 HydrophobicContact CD1-CG2 4.04Å; F109-L125 HydrophobicContact CD1-CD2 4.11Å; F109-L125 HydrophobicContact CE1-CD2 3.43Å; F109-L125 VanDerWaalsContact CE1-CD2 3.43Å; F109-L125 HydrophobicContact CE2-CD2 4.35Å; F109-L125 HydrophobicContact CZ-CD2 3.56Å; F109-I148 HydrophobicContact CB-CD1 3.89Å; F109-L314 HydrophobicContact CE1-CD1 4.02Å; F109-L314 HydrophobicContact CZ-CD1 3.82Å; F109-W325 HydrophobicContact CD1-CH2 4.21Å; F109-W325 AromaticContact CD1-CZ2 3.63Å; F109-W325 HydrophobicContact CD1-CZ2 3.63Å; F109-W325 HydrophobicContact CE1-CH2 4.08Å; F109-W325 AromaticContact CE1-CZ2 3.69Å; F109-W325 HydrophobicContact CE1-CZ2 3.69Å; F109-F349 HydrophobicContact CE2-CZ 4.39Å; F109-F349 HydrophobicContact CZ-CE1 4.24Å; F109-F349 HydrophobicContact CZ-CZ 4.06Å |
| 110 | S | 90.1 | Very high | 91.1 | Very high | 20 Ų | 20 | 40.7 Ų | 40.7 | 14% | 0.14 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.4 | -42.8 | -177.8 | -178.1 | 0 | 0 | 0 | 0 | 112.5 | D108 K151 | D108-S110 PolarHBondContact O-N 3.29Å; S110-K151 WeakPolarHBondContact OG-CD 3.44Å; S110-K151 WeakPolarHBondContact OG-CE 3.35Å; S110-K151 PolarHBondContact OG-NZ 3.27Å |
| 111 | T | 89.4 | Confident | 91.3 | Very high | 58 Ų | 58 | 40.1 Ų | 40.1 | 36% | 0.356 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -81.7 | -27.9 | 174.8 | 67.2 | 0 | 0 | 0 | 0 | 111.5 | D108 I113 L114 | D108-T111 WeakPolarHBondContact OD1-CG2 3.39Å; D108-T111 PolarHBondContact OD1-N 3.5Å; D108-T111 VanDerWaalsContact OD1-N 3.08Å; D108-T111 PolarHBondContact OD1-OG1 3.22Å; D108-T111 WeakPolarHBondContact OD2-CB 3.25Å; D108-T111 WeakPolarHBondContact OD2-CG2 3.4Å; D108-T111 PolarHBondContact OD2-OG1 3.26Å; T111-I113 PolarHBondContact O-N 3.47Å; T111-I113 VanDerWaalsContact O-N 3.15Å; T111-L114 VanDerWaalsContact O-CB 3.28Å; T111-L114 WeakPolarHBondContact O-CB 3.5Å; T111-L114 PolarHBondContact O-N 3.41Å |
| 112 | A | 91.4 | Very high | 91.6 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.3 | -26 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | D108 F109 L114 D115 R118 V122 W325 | D108-A112 VanDerWaalsContact O-CB 3.29Å; D108-A112 WeakPolarHBondContact O-CB 3.39Å; D108-A112 PolarHBondContact O-N 3.44Å; F109-A112 PolarHBondContact O-N 3.02Å; A112-L114 PolarHBondContact O-N 3.47Å; A112-D115 PolarHBondContact O-N 3.4Å; A112-R118 HydrophobicContact CB-CB 4.23Å; A112-R118 WeakPolarHBondContact O-CB 3.46Å; A112-V122 HydrophobicContact CB-CG2 4.09Å; A112-W325 HydrophobicContact CB-CH2 4.11Å; A112-W325 HydrophobicContact CB-CZ2 3.44Å; A112-W325 VanDerWaalsContact CB-CZ2 3.44Å |
| 113 | I | 93.6 | Very high | 91.9 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -27.1 | 173.3 | -71.1 | 157.3 | 0 | 0 | 0 | 112.3 | F109 T111 D115 F119 V122 I148 V152 K155 | F109-I113 WeakPolarHBondContact O-CD1 3.46Å; F109-I113 WeakPolarHBondContact O-CG1 3.47Å; F109-I113 PolarHBondContact O-N 3.22Å; T111-I113 PolarHBondContact O-N 3.47Å; T111-I113 VanDerWaalsContact O-N 3.15Å; I113-D115 VanDerWaalsContact C-N 3.27Å; I113-D115 PolarHBondContact O-N 2.79Å; I113-F119 HydrophobicContact CG2-CD2 3.92Å; I113-F119 HydrophobicContact CG2-CE2 4.02Å; I113-F119 WeakPolarHBondContact O-CD2 3.46Å; I113-V122 HydrophobicContact CD1-CG1 4.1Å; I113-V122 HydrophobicContact CG1-CB 4.19Å; I113-V122 HydrophobicContact CG1-CG1 3.8Å; I113-V122 HydrophobicContact CG1-CG2 4.46Å; I113-I148 HydrophobicContact CD1-CB 4.46Å; I113-I148 HydrophobicContact CD1-CG2 3.37Å; I113-V152 HydrophobicContact CD1-CG2 3.36Å; I113-V152 HydrophobicContact CG1-CG2 3.75Å; I113-V152 HydrophobicContact CG2-CG2 3.93Å; I113-K155 HydrophobicContact CG2-CD 3.7Å; I113-K155 VanDerWaalsContact O-CD 3.23Å; I113-K155 WeakPolarHBondContact O-CD 3.36Å; I113-K155 WeakPolarHBondContact O-CE 3.37Å |
| 114 | L | 91.2 | Very high | 92.2 | Very high | 124 Ų | 124 | 39 Ų | 39 | 65% | 0.649 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -25.8 | 178.9 | -55.6 | 177.3 | 0 | 0 | 0 | 111.8 | T111 A112 | T111-L114 VanDerWaalsContact O-CB 3.28Å; T111-L114 WeakPolarHBondContact O-CB 3.5Å; T111-L114 PolarHBondContact O-N 3.41Å; A112-L114 PolarHBondContact O-N 3.47Å |
| 115 | D | 91.8 | Very high | 92.4 | Very high | 47 Ų | 47 | 39 Ų | 39 | 25% | 0.251 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -84.9 | 119.1 | 176.4 | -177.2 | -8.6 | 0 | 0 | 0 | 111 | A112 I113 R117 R118 F119 | A112-D115 PolarHBondContact O-N 3.4Å; I113-D115 VanDerWaalsContact C-N 3.27Å; I113-D115 PolarHBondContact O-N 2.79Å; D115-R117 PolarHBondContact O-N 3.35Å; D115-R117 WeakPolarHBondContact OD1-CB 3.5Å; D115-R117 PolarHBondContact OD1-N 2.88Å; D115-R118 HydrophobicContact CB-CB 4.31Å; D115-R118 HydrophobicContact CB-CG 4.32Å; D115-R118 PolarHBondContact O-N 2.73Å; D115-R118 VanDerWaalsContact O-N 3.12Å; D115-R118 IonicContact OD2-NE 2.6Å; D115-R118 PolarHBondContact OD2-NE 3.4Å; D115-F119 PolarHBondContact O-N 3.46Å |
| 116 | S | 91.1 | Very high | 92.7 | Very high | 94 Ų | 94 | 37.7 Ų | 37.7 | 66% | 0.657 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -60 | -27.1 | 179.8 | 59.7 | 0 | 0 | 0 | 0 | 113.5 | ||
| 117 | R | 92.3 | Very high | 93.1 | Very high | 154 Ų | 154 | 35.2 Ų | 35.2 | 58% | 0.581 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -74 | -30.4 | 179.3 | -56.5 | -179.5 | -160.8 | 176.1 | 6.9 | 112.6 | D115 G311 D312 | D115-R117 PolarHBondContact O-N 3.35Å; D115-R117 WeakPolarHBondContact OD1-CB 3.5Å; D115-R117 PolarHBondContact OD1-N 2.88Å; R117-G311 WeakPolarHBondContact O-CA 3.5Å; R117-G311 PolarHBondContact O-N 2.99Å; R117-D312 HydrophobicContact CB-CB 4.12Å; R117-D312 VanDerWaalsContact CD-OD2 3.31Å; R117-D312 WeakPolarHBondContact CD-OD2 3.42Å; R117-D312 PolarHBondContact O-N 3.45Å |
| 118 | R | 94.2 | Very high | 93.3 | Very high | 41 Ų | 41 | 35.6 Ų | 35.6 | 16% | 0.155 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -97 | -24 | -177.8 | -62.1 | 175.5 | -174 | -176 | -2.2 | 112.2 | A112 D115 N120 Y121 V122 D312 W325 K326 | A112-R118 HydrophobicContact CB-CB 4.23Å; A112-R118 WeakPolarHBondContact O-CB 3.46Å; D115-R118 HydrophobicContact CB-CB 4.31Å; D115-R118 HydrophobicContact CB-CG 4.32Å; D115-R118 PolarHBondContact O-N 2.73Å; D115-R118 VanDerWaalsContact O-N 3.12Å; D115-R118 IonicContact OD2-NE 2.6Å; D115-R118 PolarHBondContact OD2-NE 3.4Å; R118-N120 PolarHBondContact O-N 2.97Å; R118-Y121 WeakPolarHBondContact O-CA 3.31Å; R118-Y121 VanDerWaalsContact O-CB 3.25Å; R118-Y121 WeakPolarHBondContact O-CB 3.39Å; R118-Y121 PolarHBondContact O-N 3.27Å; R118-V122 PolarHBondContact O-N 2.71Å; R118-V122 VanDerWaalsContact O-N 3.08Å; R118-D312 HydrophobicContact CG-CB 3.76Å; R118-W325 HydrophobicContact CB-CH2 4.28Å; R118-W325 HydrophobicContact CB-CZ3 4.07Å; R118-W325 HydrophobicContact CG-CE3 3.95Å; R118-W325 HydrophobicContact CG-CZ3 3.95Å; R118-K326 PolarHBondContact NH2-O 3.13Å |
| 119 | F | 94.6 | Very high | 93.6 | Very high | 5 Ų | 5 | 34.3 Ų | 34.3 | 2% | 0.022 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -47.3 | -55 | -176.7 | -178.9 | -94.8 | 0 | 0 | 0 | 113.6 | I113 D115 Y121 V122 V123 V152 K155 V156 N162 I166 | I113-F119 HydrophobicContact CG2-CD2 3.92Å; I113-F119 HydrophobicContact CG2-CE2 4.02Å; I113-F119 WeakPolarHBondContact O-CD2 3.46Å; D115-F119 PolarHBondContact O-N 3.46Å; F119-Y121 PolarHBondContact O-N 3.11Å; F119-V122 PolarHBondContact O-N 3.49Å; F119-V122 VanDerWaalsContact O-N 3.12Å; F119-V123 HydrophobicContact CD1-CG2 4.11Å; F119-V123 HydrophobicContact CE1-CG2 3.69Å; F119-V123 HydrophobicContact CE2-CG2 4.17Å; F119-V123 HydrophobicContact CZ-CG2 3.72Å; F119-V123 WeakPolarHBondContact O-CG2 3.49Å; F119-V123 PolarHBondContact O-N 3.26Å; F119-V152 HydrophobicContact CE2-CG1 4.08Å; F119-V152 HydrophobicContact CZ-CG1 4.06Å; F119-K155 HydrophobicContact CD2-CD 4.18Å; F119-K155 HydrophobicContact CE2-CD 4.11Å; F119-V156 HydrophobicContact CE2-CG2 4.33Å; F119-V156 HydrophobicContact CZ-CG2 3.67Å; F119-N162 HydrophobicContact CE1-CB 3.79Å; F119-I166 HydrophobicContact CZ-CD1 4.17Å |
| 120 | N | 93.9 | Very high | 93.6 | Very high | 62 Ų | 62 | 34.4 Ų | 34.4 | 33% | 0.332 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.6 | -30.8 | -178.5 | -73.9 | -22 | 0 | 0 | 0 | 113 | R118 R124 Y310 | R118-N120 PolarHBondContact O-N 2.97Å; N120-R124 WeakPolarHBondContact O-CB 3.29Å; N120-R124 PolarHBondContact O-N 3.5Å; N120-R124 VanDerWaalsContact O-N 3.07Å; N120-Y310 HydrophobicContact CB-CD1 4.11Å; N120-Y310 HydrophobicContact CB-CE1 4.4Å; N120-Y310 WeakPolarHBondContact O-CE1 3.33Å |
| 121 | Y | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.5 | -48.6 | 174.8 | -177.8 | -80.8 | 0 | 0 | 0 | 110.7 | R118 F119 R124 L125 Y310 T313 L314 W325 L344 S345 P346 | R118-Y121 WeakPolarHBondContact O-CA 3.31Å; R118-Y121 VanDerWaalsContact O-CB 3.25Å; R118-Y121 WeakPolarHBondContact O-CB 3.39Å; R118-Y121 PolarHBondContact O-N 3.27Å; F119-Y121 PolarHBondContact O-N 3.11Å; Y121-R124 PolarHBondContact O-N 2.83Å; Y121-L125 HydrophobicContact CE1-CD2 4.48Å; Y121-L125 WeakPolarHBondContact O-CB 3.3Å; Y121-L125 PolarHBondContact O-N 3.14Å; Y121-Y310 VanDerWaalsContact CA-CD1 3.49Å; Y121-Y310 HydrophobicContact CD2-CD1 4.38Å; Y121-Y310 AromaticContact CD2-CD2 3.92Å; Y121-Y310 HydrophobicContact CD2-CD2 3.92Å; Y121-Y310 HydrophobicContact CD2-CE2 4.4Å; Y121-Y310 AromaticContact CD2-CG 3.93Å; Y121-Y310 HydrophobicContact CD2-CG 3.93Å; Y121-T313 HydrophobicContact CD2-CG2 3.92Å; Y121-T313 HydrophobicContact CE2-CG2 4.11Å; Y121-L314 HydrophobicContact CE1-CD1 3.96Å; Y121-L314 HydrophobicContact CE1-CG 4.09Å; Y121-W325 AromaticContact CD1-CH2 3.64Å; Y121-W325 HydrophobicContact CD1-CH2 3.64Å; Y121-W325 AromaticContact CD1-CZ3 3.86Å; Y121-W325 HydrophobicContact CD1-CZ3 3.86Å; Y121-W325 HydrophobicContact CE1-CH2 4.09Å; Y121-W325 HydrophobicContact CE1-CZ3 4.29Å; Y121-W325 HydrophobicContact CG-CH2 4.41Å; Y121-W325 HydrophobicContact CG-CZ3 4.27Å; Y121-L344 VanDerWaalsContact CE2-O 3.29Å; Y121-L344 WeakPolarHBondContact CE2-O 3.46Å; Y121-S345 PolarHBondContact OH-O 3.01Å; Y121-P346 HydrophobicContact CD1-CG 4.44Å; Y121-P346 HydrophobicContact CD2-CG 3.64Å; Y121-P346 HydrophobicContact CE1-CG 4.39Å; Y121-P346 HydrophobicContact CE2-CB 4.41Å; Y121-P346 VanDerWaalsContact CE2-CD 3.41Å; Y121-P346 HydrophobicContact CE2-CG 3.58Å; Y121-P346 HydrophobicContact CG-CG 4.09Å |
| 122 | V | 96.2 | Very high | 93.5 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.5 | -45.3 | -179.7 | -176 | 0 | 0 | 0 | 0 | 110.8 | F109 A112 I113 R118 F119 R124 L125 L126 I148 W325 | F109-V122 HydrophobicContact CB-CG1 4.35Å; F109-V122 HydrophobicContact CD1-CG1 4.29Å; F109-V122 HydrophobicContact CD1-CG2 4.04Å; A112-V122 HydrophobicContact CB-CG2 4.09Å; I113-V122 HydrophobicContact CD1-CG1 4.1Å; I113-V122 HydrophobicContact CG1-CB 4.19Å; I113-V122 HydrophobicContact CG1-CG1 3.8Å; I113-V122 HydrophobicContact CG1-CG2 4.46Å; R118-V122 PolarHBondContact O-N 2.71Å; R118-V122 VanDerWaalsContact O-N 3.08Å; F119-V122 PolarHBondContact O-N 3.49Å; F119-V122 VanDerWaalsContact O-N 3.12Å; V122-R124 VanDerWaalsContact C-N 3.33Å; V122-R124 PolarHBondContact O-N 3.07Å; V122-L125 WeakPolarHBondContact O-CB 3.33Å; V122-L125 PolarHBondContact O-N 2.84Å; V122-L125 VanDerWaalsContact O-N 3.16Å; V122-L126 HydrophobicContact CG1-CD1 4.27Å; V122-L126 HydrophobicContact CG1-CG 4.38Å; V122-L126 WeakPolarHBondContact O-CG 3.24Å; V122-L126 PolarHBondContact O-N 3.17Å; V122-I148 HydrophobicContact CG1-CG2 4.31Å; V122-W325 HydrophobicContact CG2-CH2 3.87Å; V122-W325 HydrophobicContact CG2-CZ2 4.2Å |
| 123 | V | 95.7 | Very high | 93.4 | Very high | 6 Ų | 6 | 40.3 Ų | 40.3 | 4% | 0.036 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.3 | -45.2 | 177.2 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | F119 L125 L126 E127 V152 L165 I166 L169 | F119-V123 HydrophobicContact CD1-CG2 4.11Å; F119-V123 HydrophobicContact CE1-CG2 3.69Å; F119-V123 HydrophobicContact CE2-CG2 4.17Å; F119-V123 HydrophobicContact CZ-CG2 3.72Å; F119-V123 WeakPolarHBondContact O-CG2 3.49Å; F119-V123 PolarHBondContact O-N 3.26Å; V123-L125 VanDerWaalsContact C-N 3.34Å; V123-L125 PolarHBondContact O-N 3.4Å; V123-L126 PolarHBondContact O-N 2.95Å; V123-E127 PolarHBondContact O-N 3.11Å; V123-V152 HydrophobicContact CG2-CG1 4.05Å; V123-L165 HydrophobicContact CG1-CB 4.42Å; V123-I166 HydrophobicContact CB-CD1 4.44Å; V123-I166 HydrophobicContact CG1-CD1 3.76Å; V123-I166 HydrophobicContact CG2-CD1 3.72Å; V123-L169 HydrophobicContact CG1-CD1 3.92Å; V123-L169 WeakPolarHBondContact O-CD1 3.49Å |
| 124 | R | 95.3 | Very high | 93.1 | Very high | 58 Ų | 58 | 40.4 Ų | 40.4 | 22% | 0.219 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.1 | -42.9 | 176.1 | -177.3 | 63.3 | 164.7 | 161 | -0.9 | 111.9 | N120 Y121 V122 L126 E127 L128 E308 Y310 P346 | N120-R124 WeakPolarHBondContact O-CB 3.29Å; N120-R124 PolarHBondContact O-N 3.5Å; N120-R124 VanDerWaalsContact O-N 3.07Å; Y121-R124 PolarHBondContact O-N 2.83Å; V122-R124 VanDerWaalsContact C-N 3.33Å; V122-R124 PolarHBondContact O-N 3.07Å; R124-L126 VanDerWaalsContact C-N 3.34Å; R124-L126 PolarHBondContact O-N 2.96Å; R124-E127 WeakPolarHBondContact CD-OE2 3.49Å; R124-E127 IonicContact CZ-OE2 3.75Å; R124-E127 IonicContact NH1-OE1 3.21Å; R124-E127 PolarHBondContact NH1-OE1 2.8Å; R124-E127 IonicContact NH1-OE2 2.72Å; R124-E127 PolarHBondContact NH1-OE2 3.05Å; R124-E127 WeakPolarHBondContact O-CB 3.22Å; R124-E127 PolarHBondContact O-N 3.1Å; R124-L128 HydrophobicContact CG-CD1 4.3Å; R124-L128 HydrophobicContact CG-CG 4.44Å; R124-L128 WeakPolarHBondContact O-CG 3.46Å; R124-L128 PolarHBondContact O-N 3.41Å; R124-E308 IonicContact CZ-OE1 3.52Å; R124-E308 IonicContact NE-OE1 3.13Å; R124-E308 PolarHBondContact NE-OE1 3.35Å; R124-E308 IonicContact NE-OE2 4Å; R124-E308 IonicContact NH2-OE1 3.52Å; R124-E308 PolarHBondContact NH2-OE1 3.26Å; R124-Y310 HydrophobicContact CB-CE1 4.14Å; R124-Y310 VanDerWaalsContact CG-OH 3.26Å; R124-Y310 WeakPolarHBondContact CG-OH 3.36Å; R124-P346 HydrophobicContact CB-CB 4.39Å; R124-P346 HydrophobicContact CB-CG 3.99Å; R124-P346 HydrophobicContact CG-CB 4.05Å; R124-P346 HydrophobicContact CG-CG 3.9Å |
| 125 | L | 95.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.6 | -46.8 | 177.3 | 176.9 | 58.6 | 0 | 0 | 0 | 111.3 | F104 F109 Y121 V122 V123 E127 L128 I129 P346 F349 I350 | F104-L125 HydrophobicContact CD2-CD2 4.39Å; F104-L125 HydrophobicContact CE2-CD2 4.37Å; F109-L125 HydrophobicContact CD1-CD2 4.11Å; F109-L125 HydrophobicContact CE1-CD2 3.43Å; F109-L125 VanDerWaalsContact CE1-CD2 3.43Å; F109-L125 HydrophobicContact CE2-CD2 4.35Å; F109-L125 HydrophobicContact CZ-CD2 3.56Å; Y121-L125 HydrophobicContact CE1-CD2 4.48Å; Y121-L125 WeakPolarHBondContact O-CB 3.3Å; Y121-L125 PolarHBondContact O-N 3.14Å; V122-L125 WeakPolarHBondContact O-CB 3.33Å; V122-L125 PolarHBondContact O-N 2.84Å; V122-L125 VanDerWaalsContact O-N 3.16Å; V123-L125 VanDerWaalsContact C-N 3.34Å; V123-L125 PolarHBondContact O-N 3.4Å; L125-E127 VanDerWaalsContact C-N 3.32Å; L125-E127 PolarHBondContact O-N 3.4Å; L125-L128 PolarHBondContact O-N 3.06Å; L125-I129 HydrophobicContact CD1-CD1 4.03Å; L125-I129 HydrophobicContact CD1-CG1 4.3Å; L125-I129 HydrophobicContact CG-CD1 3.97Å; L125-I129 VanDerWaalsContact O-CG1 3.32Å; L125-I129 WeakPolarHBondContact O-CG1 3.27Å; L125-I129 PolarHBondContact O-N 3.21Å; L125-P346 HydrophobicContact CB-CB 4.16Å; L125-F349 HydrophobicContact CD1-CD1 3.57Å; L125-F349 HydrophobicContact CD1-CE1 3.91Å; L125-F349 HydrophobicContact CD2-CD1 3.92Å; L125-F349 HydrophobicContact CD2-CE1 3.78Å; L125-F349 HydrophobicContact CG-CD1 4.42Å; L125-F349 HydrophobicContact CG-CE1 4.48Å; L125-I350 HydrophobicContact CD1-CD1 3.89Å; L125-I350 HydrophobicContact CD1-CG1 3.77Å |
| 126 | L | 96.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.1 | -41.1 | 176.6 | -67.8 | 174.2 | 0 | 0 | 0 | 111.8 | F104 V122 V123 R124 L128 I129 A130 F145 I148 V152 L169 | F104-L126 HydrophobicContact CE2-CD2 4.22Å; F104-L126 HydrophobicContact CZ-CD2 3.82Å; V122-L126 HydrophobicContact CG1-CD1 4.27Å; V122-L126 HydrophobicContact CG1-CG 4.38Å; V122-L126 WeakPolarHBondContact O-CG 3.24Å; V122-L126 PolarHBondContact O-N 3.17Å; V123-L126 PolarHBondContact O-N 2.95Å; R124-L126 VanDerWaalsContact C-N 3.34Å; R124-L126 PolarHBondContact O-N 2.96Å; L126-L128 PolarHBondContact O-N 3.13Å; L126-I129 PolarHBondContact O-N 3.48Å; L126-A130 WeakPolarHBondContact O-CB 3.49Å; L126-A130 PolarHBondContact O-N 2.97Å; L126-F145 HydrophobicContact CB-CE2 3.93Å; L126-F145 HydrophobicContact CB-CZ 4.47Å; L126-F145 HydrophobicContact CD2-CD2 3.41Å; L126-F145 VanDerWaalsContact CD2-CD2 3.41Å; L126-F145 HydrophobicContact CD2-CE2 3.46Å; L126-F145 VanDerWaalsContact CD2-CE2 3.46Å; L126-F145 HydrophobicContact CD2-CG 4.31Å; L126-F145 HydrophobicContact CD2-CZ 4.37Å; L126-F145 HydrophobicContact CG-CE2 4.29Å; L126-F145 WeakPolarHBondContact O-CE2 3.07Å; L126-I148 HydrophobicContact CD1-CG2 3.95Å; L126-I148 HydrophobicContact CD2-CG2 4.12Å; L126-V152 HydrophobicContact CD1-CG2 4.1Å; L126-L169 HydrophobicContact CB-CD1 3.74Å |
| 127 | E | 95.4 | Very high | 92.6 | Very high | 32 Ų | 32 | 34.4 Ų | 34.4 | 15% | 0.15 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.3 | -43.8 | 176 | -166 | -162.1 | 160.6 | 0 | 0 | 111.8 | V123 R124 L125 A130 K131 L169 | V123-E127 PolarHBondContact O-N 3.11Å; R124-E127 WeakPolarHBondContact CD-OE2 3.49Å; R124-E127 IonicContact CZ-OE2 3.75Å; R124-E127 IonicContact NH1-OE1 3.21Å; R124-E127 PolarHBondContact NH1-OE1 2.8Å; R124-E127 IonicContact NH1-OE2 2.72Å; R124-E127 PolarHBondContact NH1-OE2 3.05Å; R124-E127 WeakPolarHBondContact O-CB 3.22Å; R124-E127 PolarHBondContact O-N 3.1Å; L125-E127 VanDerWaalsContact C-N 3.32Å; L125-E127 PolarHBondContact O-N 3.4Å; E127-A130 PolarHBondContact O-N 3.37Å; E127-K131 WeakPolarHBondContact O-CG 3.43Å; E127-K131 PolarHBondContact O-N 2.94Å; E127-K131 VanDerWaalsContact OE1-CE 3.26Å; E127-K131 WeakPolarHBondContact OE1-CE 3.35Å; E127-K131 IonicContact OE1-NZ 2.66Å; E127-K131 PolarHBondContact OE1-NZ 2.81Å; E127-L169 HydrophobicContact CB-CD1 4.15Å; E127-L169 HydrophobicContact CB-CG 4.37Å |
| 128 | L | 94.3 | Very high | 92.4 | Very high | 14 Ų | 14 | 29.7 Ų | 29.7 | 7% | 0.073 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.2 | -39.4 | 177.9 | -68 | 175.2 | 0 | 0 | 0 | 112.2 | R124 L125 L126 K131 S132 P346 Q347 I350 | R124-L128 HydrophobicContact CG-CD1 4.3Å; R124-L128 HydrophobicContact CG-CG 4.44Å; R124-L128 WeakPolarHBondContact O-CG 3.46Å; R124-L128 PolarHBondContact O-N 3.41Å; L125-L128 PolarHBondContact O-N 3.06Å; L126-L128 PolarHBondContact O-N 3.13Å; L128-K131 PolarHBondContact O-N 2.76Å; L128-S132 PolarHBondContact O-N 3.04Å; L128-S132 PolarHBondContact O-OG 3.33Å; L128-S132 VanDerWaalsContact O-OG 3.11Å; L128-P346 HydrophobicContact CD1-CB 3.82Å; L128-Q347 HydrophobicContact CD1-CB 4.06Å; L128-I350 HydrophobicContact CB-CD1 3.5Å; L128-I350 HydrophobicContact CD1-CD1 4.09Å; L128-I350 HydrophobicContact CG-CD1 4.46Å |
| 129 | I | 93.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.7 | -47.9 | 174.3 | -69.8 | 169.4 | 0 | 0 | 0 | 110.1 | F104 L125 L126 K131 S132 Q133 L134 L137 F145 I350 | F104-I129 HydrophobicContact CD2-CD1 4.02Å; F104-I129 HydrophobicContact CE2-CD1 3.9Å; F104-I129 HydrophobicContact CZ-CD1 4.43Å; L125-I129 HydrophobicContact CD1-CD1 4.03Å; L125-I129 HydrophobicContact CD1-CG1 4.3Å; L125-I129 HydrophobicContact CG-CD1 3.97Å; L125-I129 VanDerWaalsContact O-CG1 3.32Å; L125-I129 WeakPolarHBondContact O-CG1 3.27Å; L125-I129 PolarHBondContact O-N 3.21Å; L126-I129 PolarHBondContact O-N 3.48Å; I129-K131 VanDerWaalsContact C-N 3.27Å; I129-K131 PolarHBondContact O-N 3.4Å; I129-S132 PolarHBondContact O-N 3.16Å; I129-Q133 HydrophobicContact CG2-CB 4.44Å; I129-Q133 CarbonylContact O-C 3.57Å; I129-Q133 PolarHBondContact O-N 2.87Å; I129-L134 HydrophobicContact CG2-CD1 4.46Å; I129-L134 PolarHBondContact O-N 3.46Å; I129-L137 HydrophobicContact CG2-CD1 3.61Å; I129-F145 HydrophobicContact CB-CD2 4.28Å; I129-F145 HydrophobicContact CB-CE2 3.96Å; I129-F145 HydrophobicContact CG2-CD2 3.7Å; I129-F145 HydrophobicContact CG2-CE2 3.71Å; I129-I350 HydrophobicContact CG1-CD1 4.32Å |
| 130 | A | 92.9 | Very high | 91.9 | Very high | 3 Ų | 3 | 33 Ų | 33 | 3% | 0.025 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.2 | -39.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L126 E127 F145 L173 S176 | L126-A130 WeakPolarHBondContact O-CB 3.49Å; L126-A130 PolarHBondContact O-N 2.97Å; E127-A130 PolarHBondContact O-N 3.37Å; A130-F145 HydrophobicContact CB-CZ 4.14Å; A130-L173 HydrophobicContact CB-CB 4.05Å; A130-L173 HydrophobicContact CB-CD1 3.76Å; A130-L173 HydrophobicContact CB-CG 4.49Å; A130-S176 WeakPolarHBondContact O-CB 3.41Å; A130-S176 PolarHBondContact O-OG 3.33Å |
| 131 | K | 91.2 | Very high | 91.8 | Very high | 107 Ų | 107 | 30 Ų | 30 | 47% | 0.465 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -69.9 | -36 | -179.5 | -75.4 | 179.5 | -174.7 | 173.7 | 0 | 114.3 | E127 L128 I129 T172 | E127-K131 WeakPolarHBondContact O-CG 3.43Å; E127-K131 PolarHBondContact O-N 2.94Å; E127-K131 VanDerWaalsContact OE1-CE 3.26Å; E127-K131 WeakPolarHBondContact OE1-CE 3.35Å; E127-K131 IonicContact OE1-NZ 2.66Å; E127-K131 PolarHBondContact OE1-NZ 2.81Å; L128-K131 PolarHBondContact O-N 2.76Å; I129-K131 VanDerWaalsContact C-N 3.27Å; I129-K131 PolarHBondContact O-N 3.4Å; K131-T172 HydrophobicContact CD-CG2 4.01Å; K131-T172 HydrophobicContact CG-CG2 3.28Å |
| 132 | S | 86.6 | Confident | 91.6 | Very high | 65 Ų | 65 | 30 Ų | 30 | 46% | 0.455 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -146.8 | -15.6 | -161.9 | 68.2 | 0 | 0 | 0 | 0 | 117 | L128 I129 | L128-S132 PolarHBondContact O-N 3.04Å; L128-S132 PolarHBondContact O-OG 3.33Å; L128-S132 VanDerWaalsContact O-OG 3.11Å; I129-S132 PolarHBondContact O-N 3.16Å |
| 133 | Q | 87.9 | Confident | 91.3 | Very high | 31 Ų | 31 | 34.7 Ų | 34.7 | 15% | 0.145 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.7 | -2.8 | -173 | -56.3 | -57.4 | -42.9 | 0 | 0 | 113.5 | L100 I129 T135 S136 L137 I350 | L100-Q133 HydrophobicContact CD2-CB 3.99Å; L100-Q133 HydrophobicContact CD2-CG 4.1Å; I129-Q133 HydrophobicContact CG2-CB 4.44Å; I129-Q133 CarbonylContact O-C 3.57Å; I129-Q133 PolarHBondContact O-N 2.87Å; Q133-T135 PolarHBondContact O-N 2.87Å; Q133-T135 VanDerWaalsContact O-N 3.14Å; Q133-S136 PolarHBondContact O-N 2.96Å; Q133-S136 PolarHBondContact O-OG 3.45Å; Q133-S136 PolarHBondContact OE1-OG 2.87Å; Q133-L137 WeakPolarHBondContact O-CG 3.46Å; Q133-L137 PolarHBondContact O-N 2.92Å; Q133-I350 HydrophobicContact CG-CG2 3.95Å |
| 134 | L | 87.8 | Confident | 91.2 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -37.1 | -173.9 | -167.8 | 66.5 | 0 | 0 | 0 | 112.6 | I129 Q142 F145 L173 L177 L189 W196 | I129-L134 HydrophobicContact CG2-CD1 4.46Å; I129-L134 PolarHBondContact O-N 3.46Å; L134-Q142 HydrophobicContact CD1-CG 4.45Å; L134-Q142 PolarHBondContact O-NE2 3.31Å; L134-F145 HydrophobicContact CD1-CD1 4.07Å; L134-F145 HydrophobicContact CD1-CE1 4.27Å; L134-F145 HydrophobicContact CD1-CG 4.33Å; L134-L173 HydrophobicContact CD2-CD1 3.96Å; L134-L177 HydrophobicContact CD2-CD2 3.55Å; L134-L177 HydrophobicContact CD2-CG 4.26Å; L134-L189 HydrophobicContact CD2-CD2 4.27Å; L134-L189 HydrophobicContact CG-CD2 4.46Å; L134-W196 HydrophobicContact CD2-CH2 4.23Å; L134-W196 HydrophobicContact CD2-CZ3 4.39Å |
| 135 | T | 86.6 | Confident | 91.2 | Very high | 63 Ų | 63 | 32.3 Ų | 32.3 | 39% | 0.387 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -22.6 | 179.3 | 58.1 | 0 | 0 | 0 | 0 | 113.8 | Q133 L137 L180 V188 L189 | Q133-T135 PolarHBondContact O-N 2.87Å; Q133-T135 VanDerWaalsContact O-N 3.14Å; T135-L137 VanDerWaalsContact C-N 3.31Å; T135-L180 HydrophobicContact CG2-CD1 3.71Å; T135-L180 HydrophobicContact CG2-CD2 3.78Å; T135-L180 HydrophobicContact CG2-CG 4.41Å; T135-V188 HydrophobicContact CG2-CG1 3.41Å; T135-V188 VanDerWaalsContact CG2-CG1 3.41Å; T135-L189 HydrophobicContact CG2-CD2 4.19Å |
| 136 | S | 87.4 | Confident | 91.1 | Very high | 73 Ų | 73 | 33 Ų | 33 | 51% | 0.51 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -13.3 | 176.2 | 65.1 | 0 | 0 | 0 | 0 | 112.7 | Q133 | Q133-S136 PolarHBondContact O-N 2.96Å; Q133-S136 PolarHBondContact O-OG 3.45Å; Q133-S136 PolarHBondContact OE1-OG 2.87Å |
| 137 | L | 89.6 | Confident | 91 | Very high | 4 Ų | 4 | 35.6 Ų | 35.6 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -77.3 | 142.6 | 176.1 | -65.9 | -174.8 | 0 | 0 | 0 | 112.3 | L100 I129 Q133 T135 A141 Q142 | L100-L137 HydrophobicContact CB-CD2 4.42Å; L100-L137 HydrophobicContact CD2-CD2 4.07Å; L100-L137 HydrophobicContact CG-CD2 4.03Å; I129-L137 HydrophobicContact CG2-CD1 3.61Å; Q133-L137 WeakPolarHBondContact O-CG 3.46Å; Q133-L137 PolarHBondContact O-N 2.92Å; T135-L137 VanDerWaalsContact C-N 3.31Å; L137-A141 HydrophobicContact CB-CB 3.97Å; L137-A141 HydrophobicContact CD1-CB 4.4Å; L137-A141 HydrophobicContact CD2-CB 4.2Å; L137-A141 HydrophobicContact CG-CB 4.42Å; L137-Q142 HydrophobicContact CB-CG 3.78Å; L137-Q142 PolarHBondContact O-NE2 3.44Å; L137-Q142 VanDerWaalsContact O-NE2 3.17Å |
| 138 | S | 89.2 | Confident | 91 | Very high | 55 Ų | 55 | 34.1 Ų | 34.1 | 39% | 0.385 | 20% | 0.195 | S | C | . | . | trans | -64.1 | 158.7 | 169.2 | 66.1 | 0 | 0 | 0 | 0 | 111.6 | I140 A141 Q142 | S138-I140 PolarHBondContact O-N 3.24Å; S138-I140 VanDerWaalsContact OG-CG2 3.25Å; S138-I140 WeakPolarHBondContact OG-CG2 3.47Å; S138-A141 CarbonylContact O-C 3.59Å; S138-A141 WeakPolarHBondContact O-CA 3.5Å; S138-A141 WeakPolarHBondContact O-CB 3.35Å; S138-A141 PolarHBondContact O-N 3.33Å; S138-A141 WeakPolarHBondContact OG-CB 3.19Å; S138-A141 PolarHBondContact OG-N 2.83Å; S138-Q142 WeakPolarHBondContact O-CG 3.39Å; S138-Q142 PolarHBondContact O-N 2.91Å | ||
| 139 | G | 88.1 | Confident | 91.1 | Very high | 28 Ų | 28 | 33.5 Ų | 33.5 | 29% | 0.289 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -58.2 | -33.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114 | K143 | G139-K143 WeakPolarHBondContact O-CB 3.16Å; G139-K143 PolarHBondContact O-N 2.81Å |
| 140 | I | 88.6 | Confident | 91.2 | Very high | 86 Ų | 86 | 37.6 Ų | 37.6 | 44% | 0.441 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -68.7 | -40.2 | 174.1 | -175.1 | 63.1 | 0 | 0 | 0 | 111.7 | S138 K143 N144 | S138-I140 PolarHBondContact O-N 3.24Å; S138-I140 VanDerWaalsContact OG-CG2 3.25Å; S138-I140 WeakPolarHBondContact OG-CG2 3.47Å; I140-K143 PolarHBondContact O-N 3.42Å; I140-N144 PolarHBondContact O-N 2.87Å |
| 141 | A | 91.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.3 | -39.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | N105 L137 S138 K143 N144 F145 | N105-A141 WeakPolarHBondContact ND2-CA 3.48Å; N105-A141 PolarHBondContact ND2-N 3.5Å; N105-A141 WeakPolarHBondContact OD1-CA 3.26Å; L137-A141 HydrophobicContact CB-CB 3.97Å; L137-A141 HydrophobicContact CD1-CB 4.4Å; L137-A141 HydrophobicContact CD2-CB 4.2Å; L137-A141 HydrophobicContact CG-CB 4.42Å; S138-A141 CarbonylContact O-C 3.59Å; S138-A141 WeakPolarHBondContact O-CA 3.5Å; S138-A141 WeakPolarHBondContact O-CB 3.35Å; S138-A141 PolarHBondContact O-N 3.33Å; S138-A141 WeakPolarHBondContact OG-CB 3.19Å; S138-A141 PolarHBondContact OG-N 2.83Å; A141-K143 VanDerWaalsContact C-N 3.32Å; A141-K143 PolarHBondContact O-N 3.17Å; A141-N144 PolarHBondContact O-N 3.42Å; A141-F145 WeakPolarHBondContact O-CB 3.4Å; A141-F145 PolarHBondContact O-N 3.46Å |
| 142 | Q | 91.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.1 | -37.8 | 172.6 | -68.4 | 176.3 | -2 | 0 | 0 | 112 | L134 L137 S138 M146 | L134-Q142 HydrophobicContact CD1-CG 4.45Å; L134-Q142 PolarHBondContact O-NE2 3.31Å; L137-Q142 HydrophobicContact CB-CG 3.78Å; L137-Q142 PolarHBondContact O-NE2 3.44Å; L137-Q142 VanDerWaalsContact O-NE2 3.17Å; S138-Q142 WeakPolarHBondContact O-CG 3.39Å; S138-Q142 PolarHBondContact O-N 2.91Å; Q142-M146 PolarHBondContact O-N 2.97Å |
| 143 | K | 90.8 | Very high | 92.1 | Very high | 99 Ų | 99 | 34.4 Ų | 34.4 | 43% | 0.43 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -65.4 | -46.4 | 173.6 | -177.3 | -177.2 | 177.1 | -175.4 | 0 | 111.1 | G139 I140 A141 F145 M146 N147 | G139-K143 WeakPolarHBondContact O-CB 3.16Å; G139-K143 PolarHBondContact O-N 2.81Å; I140-K143 PolarHBondContact O-N 3.42Å; A141-K143 VanDerWaalsContact C-N 3.32Å; A141-K143 PolarHBondContact O-N 3.17Å; K143-F145 VanDerWaalsContact C-N 3.31Å; K143-F145 PolarHBondContact O-N 3.12Å; K143-M146 PolarHBondContact O-N 3.23Å; K143-N147 PolarHBondContact O-N 2.8Å; K143-N147 PolarHBondContact O-OD1 3.31Å |
| 144 | N | 93 | Very high | 92.4 | Very high | 13 Ų | 13 | 36.9 Ų | 36.9 | 7% | 0.07 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.2 | -39.9 | 177.2 | -169.3 | 30.7 | 0 | 0 | 0 | 111.8 | F78 F104 N105 I140 A141 M146 N147 I148 | F78-N144 HydrophobicContact CE1-CB 4.28Å; F104-N144 HydrophobicContact CE1-CB 4.43Å; F104-N144 PolarHBondContact O-ND2 3.49Å; N105-N144 WeakPolarHBondContact OD1-CB 3.28Å; N105-N144 PolarHBondContact OD1-ND2 3.27Å; I140-N144 PolarHBondContact O-N 2.87Å; A141-N144 PolarHBondContact O-N 3.42Å; N144-M146 VanDerWaalsContact C-N 3.34Å; N144-M146 PolarHBondContact O-N 2.76Å; N144-N147 PolarHBondContact O-N 2.99Å; N144-I148 WeakPolarHBondContact O-CB 3.29Å; N144-I148 VanDerWaalsContact O-CG1 3.25Å; N144-I148 WeakPolarHBondContact O-CG1 3.42Å; N144-I148 PolarHBondContact O-N 2.84Å |
| 145 | F | 95 | Very high | 92.7 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -54.4 | -48.9 | 173.6 | 173.2 | -85.5 | 0 | 0 | 0 | 111.5 | F104 L126 I129 A130 L134 A141 K143 I148 L149 L173 | F104-F145 HydrophobicContact CE1-CB 3.97Å; F104-F145 HydrophobicContact CZ-CB 4.37Å; F104-F145 HydrophobicContact CZ-CD2 4.39Å; L126-F145 HydrophobicContact CB-CE2 3.93Å; L126-F145 HydrophobicContact CB-CZ 4.47Å; L126-F145 HydrophobicContact CD2-CD2 3.41Å; L126-F145 VanDerWaalsContact CD2-CD2 3.41Å; L126-F145 HydrophobicContact CD2-CE2 3.46Å; L126-F145 VanDerWaalsContact CD2-CE2 3.46Å; L126-F145 HydrophobicContact CD2-CG 4.31Å; L126-F145 HydrophobicContact CD2-CZ 4.37Å; L126-F145 HydrophobicContact CG-CE2 4.29Å; L126-F145 WeakPolarHBondContact O-CE2 3.07Å; I129-F145 HydrophobicContact CB-CD2 4.28Å; I129-F145 HydrophobicContact CB-CE2 3.96Å; I129-F145 HydrophobicContact CG2-CD2 3.7Å; I129-F145 HydrophobicContact CG2-CE2 3.71Å; A130-F145 HydrophobicContact CB-CZ 4.14Å; L134-F145 HydrophobicContact CD1-CD1 4.07Å; L134-F145 HydrophobicContact CD1-CE1 4.27Å; L134-F145 HydrophobicContact CD1-CG 4.33Å; A141-F145 WeakPolarHBondContact O-CB 3.4Å; A141-F145 PolarHBondContact O-N 3.46Å; K143-F145 VanDerWaalsContact C-N 3.31Å; K143-F145 PolarHBondContact O-N 3.12Å; F145-I148 PolarHBondContact O-N 3.07Å; F145-L149 HydrophobicContact CE1-CD2 4.12Å; F145-L149 VanDerWaalsContact O-CB 3.29Å; F145-L149 WeakPolarHBondContact O-CB 3.14Å; F145-L149 PolarHBondContact O-N 2.61Å; F145-L173 HydrophobicContact CE1-CD1 3.98Å; F145-L173 HydrophobicContact CE1-CD2 3.93Å; F145-L173 HydrophobicContact CZ-CD1 4.23Å; F145-L173 HydrophobicContact CZ-CD2 4.42Å |
| 146 | M | 94.3 | Very high | 93 | Very high | 14 Ų | 14 | 35.7 Ų | 35.7 | 7% | 0.069 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.5 | -39.4 | 178 | -70.6 | -58.9 | -167.8 | 0 | 0 | 112.5 | Q142 K143 N144 L149 E150 L173 L177 W196 R199 I203 | Q142-M146 PolarHBondContact O-N 2.97Å; K143-M146 PolarHBondContact O-N 3.23Å; N144-M146 VanDerWaalsContact C-N 3.34Å; N144-M146 PolarHBondContact O-N 2.76Å; M146-L149 PolarHBondContact O-N 3.22Å; M146-L149 HydrophobicContact SD-CD2 4.3Å; M146-E150 WeakPolarHBondContact O-CB 3.48Å; M146-E150 PolarHBondContact O-N 2.99Å; M146-L173 HydrophobicContact CE-CD2 4.24Å; M146-L173 HydrophobicContact SD-CD2 4.38Å; M146-L177 HydrophobicContact CE-CD1 4.39Å; M146-W196 HydrophobicContact CE-CE3 4.49Å; M146-W196 HydrophobicContact CE-CH2 4.33Å; M146-W196 HydrophobicContact CE-CZ3 3.66Å; M146-R199 HydrophobicContact CE-CB 4.13Å; M146-R199 HydrophobicContact CE-CG 4.32Å; M146-I203 HydrophobicContact CE-CD1 4.2Å |
| 147 | N | 94.4 | Very high | 93.3 | Very high | 55 Ų | 55 | 34.3 Ų | 34.3 | 29% | 0.294 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -64.1 | -43 | 176.3 | -68.9 | -5.3 | 0 | 0 | 0 | 112.2 | K143 N144 L149 E150 K151 | K143-N147 PolarHBondContact O-N 2.8Å; K143-N147 PolarHBondContact O-OD1 3.31Å; N144-N147 PolarHBondContact O-N 2.99Å; N147-L149 VanDerWaalsContact C-N 3.34Å; N147-E150 PolarHBondContact O-N 3Å; N147-K151 WeakPolarHBondContact O-CG 3.29Å; N147-K151 PolarHBondContact O-N 3.37Å; N147-K151 VanDerWaalsContact O-N 3.11Å |
| 148 | I | 95.6 | Very high | 93.4 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.4 | -44.3 | 176.9 | -70.1 | 169.3 | 0 | 0 | 0 | 109 | F104 F109 I113 V122 L126 N144 F145 K151 V152 | F104-I148 HydrophobicContact CE1-CD1 3.8Å; F104-I148 HydrophobicContact CE2-CD1 4.28Å; F104-I148 HydrophobicContact CZ-CD1 3.52Å; F109-I148 HydrophobicContact CB-CD1 3.89Å; I113-I148 HydrophobicContact CD1-CB 4.46Å; I113-I148 HydrophobicContact CD1-CG2 3.37Å; V122-I148 HydrophobicContact CG1-CG2 4.31Å; L126-I148 HydrophobicContact CD1-CG2 3.95Å; L126-I148 HydrophobicContact CD2-CG2 4.12Å; N144-I148 WeakPolarHBondContact O-CB 3.29Å; N144-I148 VanDerWaalsContact O-CG1 3.25Å; N144-I148 WeakPolarHBondContact O-CG1 3.42Å; N144-I148 PolarHBondContact O-N 2.84Å; F145-I148 PolarHBondContact O-N 3.07Å; I148-K151 PolarHBondContact O-N 3.44Å; I148-V152 WeakPolarHBondContact O-CG2 3.17Å; I148-V152 PolarHBondContact O-N 2.97Å |
| 149 | L | 96.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.9 | -44.4 | 176.8 | 178.4 | 57 | 0 | 0 | 0 | 112.5 | F145 M146 N147 K151 V152 V153 L169 L170 L173 W206 | F145-L149 HydrophobicContact CE1-CD2 4.12Å; F145-L149 VanDerWaalsContact O-CB 3.29Å; F145-L149 WeakPolarHBondContact O-CB 3.14Å; F145-L149 PolarHBondContact O-N 2.61Å; M146-L149 PolarHBondContact O-N 3.22Å; M146-L149 HydrophobicContact SD-CD2 4.3Å; N147-L149 VanDerWaalsContact C-N 3.34Å; L149-K151 VanDerWaalsContact C-N 3.32Å; L149-K151 PolarHBondContact O-N 3.02Å; L149-V152 WeakPolarHBondContact O-CB 3.33Å; L149-V152 PolarHBondContact O-N 3.09Å; L149-V152 VanDerWaalsContact O-N 3.14Å; L149-V153 HydrophobicContact CD1-CG2 4.39Å; L149-V153 WeakPolarHBondContact O-CG2 3.5Å; L149-V153 PolarHBondContact O-N 3.28Å; L149-L169 HydrophobicContact CD1-CD2 3.37Å; L149-L169 HydrophobicContact CD2-CD2 4.25Å; L149-L169 HydrophobicContact CG-CD2 4.47Å; L149-L170 HydrophobicContact CD1-CD2 3.96Å; L149-L170 HydrophobicContact CD2-CD2 3.92Å; L149-L170 HydrophobicContact CG-CD2 4.2Å; L149-L173 HydrophobicContact CD2-CD2 3.39Å; L149-W206 HydrophobicContact CD2-CZ3 3.95Å; L149-W206 HydrophobicContact CG-CZ3 3.89Å |
| 150 | E | 95.9 | Very high | 93.6 | Very high | 87 Ų | 87 | 43.2 Ų | 43.2 | 41% | 0.407 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -56.3 | -47.1 | 174.3 | 179.2 | 172 | -154.1 | 0 | 0 | 111.1 | M146 N147 V152 V153 L154 W206 | M146-E150 WeakPolarHBondContact O-CB 3.48Å; M146-E150 PolarHBondContact O-N 2.99Å; N147-E150 PolarHBondContact O-N 3Å; E150-V152 VanDerWaalsContact C-N 3.32Å; E150-V152 PolarHBondContact O-N 3.35Å; E150-V153 PolarHBondContact O-N 3.41Å; E150-V153 VanDerWaalsContact O-N 3.15Å; E150-L154 HydrophobicContact CG-CD1 4.17Å; E150-L154 WeakPolarHBondContact O-CG 3.41Å; E150-L154 PolarHBondContact O-N 3.3Å; E150-W206 HydrophobicContact CB-CH2 3.73Å; E150-W206 HydrophobicContact CB-CZ2 3.53Å; E150-W206 HydrophobicContact CG-CH2 4.37Å; E150-W206 HydrophobicContact CG-CZ2 3.67Å |
| 151 | K | 95.6 | Very high | 93.6 | Very high | 108 Ų | 108 | 44.9 Ų | 44.9 | 47% | 0.47 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.6 | -37.8 | 176 | -71.2 | -177.3 | -178.6 | -170.5 | 0 | 113 | S110 N147 I148 L149 K155 | S110-K151 WeakPolarHBondContact OG-CD 3.44Å; S110-K151 WeakPolarHBondContact OG-CE 3.35Å; S110-K151 PolarHBondContact OG-NZ 3.27Å; N147-K151 WeakPolarHBondContact O-CG 3.29Å; N147-K151 PolarHBondContact O-N 3.37Å; N147-K151 VanDerWaalsContact O-N 3.11Å; I148-K151 PolarHBondContact O-N 3.44Å; L149-K151 VanDerWaalsContact C-N 3.32Å; L149-K151 PolarHBondContact O-N 3.02Å; K151-K155 WeakPolarHBondContact O-CB 3.29Å; K151-K155 PolarHBondContact O-N 3.09Å |
| 152 | V | 96.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.8 | -45.9 | 173.7 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | I113 F119 V123 L126 I148 L149 E150 K155 V156 I166 | I113-V152 HydrophobicContact CD1-CG2 3.36Å; I113-V152 HydrophobicContact CG1-CG2 3.75Å; I113-V152 HydrophobicContact CG2-CG2 3.93Å; F119-V152 HydrophobicContact CE2-CG1 4.08Å; F119-V152 HydrophobicContact CZ-CG1 4.06Å; V123-V152 HydrophobicContact CG2-CG1 4.05Å; L126-V152 HydrophobicContact CD1-CG2 4.1Å; I148-V152 WeakPolarHBondContact O-CG2 3.17Å; I148-V152 PolarHBondContact O-N 2.97Å; L149-V152 WeakPolarHBondContact O-CB 3.33Å; L149-V152 PolarHBondContact O-N 3.09Å; L149-V152 VanDerWaalsContact O-N 3.14Å; E150-V152 VanDerWaalsContact C-N 3.32Å; E150-V152 PolarHBondContact O-N 3.35Å; V152-K155 PolarHBondContact O-N 2.6Å; V152-V156 WeakPolarHBondContact O-CG2 3.49Å; V152-V156 PolarHBondContact O-N 2.95Å; V152-I166 HydrophobicContact CG1-CD1 3.32Å; V152-I166 HydrophobicContact CG1-CG1 3.99Å |
| 153 | V | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.4 | -47.6 | 179.7 | 174 | 0 | 0 | 0 | 0 | 110.6 | L149 E150 K155 V156 L157 I166 L170 W206 | L149-V153 HydrophobicContact CD1-CG2 4.39Å; L149-V153 WeakPolarHBondContact O-CG2 3.5Å; L149-V153 PolarHBondContact O-N 3.28Å; E150-V153 PolarHBondContact O-N 3.41Å; E150-V153 VanDerWaalsContact O-N 3.15Å; V153-K155 PolarHBondContact O-N 2.91Å; V153-V156 PolarHBondContact O-N 3.44Å; V153-L157 HydrophobicContact CG1-CD1 3.83Å; V153-L157 HydrophobicContact CG1-CG 4.32Å; V153-L157 WeakPolarHBondContact O-CG 3.41Å; V153-L157 PolarHBondContact O-N 3.12Å; V153-I166 HydrophobicContact CG2-CG2 3.93Å; V153-L170 HydrophobicContact CG2-CD1 4.26Å; V153-L170 HydrophobicContact CG2-CD2 4.39Å; V153-W206 HydrophobicContact CB-CD2 4.4Å; V153-W206 HydrophobicContact CB-CG 4.36Å; V153-W206 HydrophobicContact CG1-CB 3.96Å; V153-W206 HydrophobicContact CG1-CD2 4.3Å; V153-W206 HydrophobicContact CG1-CG 3.76Å; V153-W206 HydrophobicContact CG2-CB 4.35Å; V153-W206 HydrophobicContact CG2-CD2 4.04Å; V153-W206 HydrophobicContact CG2-CE3 4.1Å; V153-W206 HydrophobicContact CG2-CG 4.19Å |
| 154 | L | 94.3 | Very high | 93.5 | Very high | 82 Ų | 82 | 49.2 Ų | 49.2 | 43% | 0.429 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -58.2 | -47.5 | 177.4 | -69.2 | 173.9 | 0 | 0 | 0 | 111.6 | E150 V156 L157 E158 | E150-L154 HydrophobicContact CG-CD1 4.17Å; E150-L154 WeakPolarHBondContact O-CG 3.41Å; E150-L154 PolarHBondContact O-N 3.3Å; L154-V156 VanDerWaalsContact C-N 3.31Å; L154-V156 PolarHBondContact O-N 3.42Å; L154-L157 WeakPolarHBondContact O-CB 3.43Å; L154-L157 PolarHBondContact O-N 2.89Å; L154-L157 VanDerWaalsContact O-N 3.17Å; L154-E158 WeakPolarHBondContact O-CG 3.41Å; L154-E158 PolarHBondContact O-N 3.18Å |
| 155 | K | 94.2 | Very high | 93.4 | Very high | 39 Ų | 39 | 51.3 Ų | 51.3 | 17% | 0.17 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.5 | -42.6 | 175.9 | 179.8 | 176 | 176.6 | 59.7 | 0 | 112.2 | I113 F119 K151 V152 V153 E158 D159 | I113-K155 HydrophobicContact CG2-CD 3.7Å; I113-K155 VanDerWaalsContact O-CD 3.23Å; I113-K155 WeakPolarHBondContact O-CD 3.36Å; I113-K155 WeakPolarHBondContact O-CE 3.37Å; F119-K155 HydrophobicContact CD2-CD 4.18Å; F119-K155 HydrophobicContact CE2-CD 4.11Å; K151-K155 WeakPolarHBondContact O-CB 3.29Å; K151-K155 PolarHBondContact O-N 3.09Å; V152-K155 PolarHBondContact O-N 2.6Å; V153-K155 PolarHBondContact O-N 2.91Å; K155-E158 PolarHBondContact O-N 2.84Å; K155-D159 VanDerWaalsContact CE-OD2 3.24Å; K155-D159 WeakPolarHBondContact CE-OD2 3.41Å; K155-D159 VanDerWaalsContact CG-OD2 3.29Å; K155-D159 WeakPolarHBondContact CG-OD2 3.5Å; K155-D159 IonicContact NZ-OD2 2.73Å; K155-D159 PolarHBondContact NZ-OD2 3.24Å; K155-D159 WeakPolarHBondContact O-CB 3.37Å; K155-D159 PolarHBondContact O-N 3.38Å |
| 156 | V | 94.1 | Very high | 93.4 | Very high | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.018 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -72.2 | -30.7 | 179.8 | 165.6 | 0 | 0 | 0 | 0 | 112.5 | F119 V152 V153 L154 E158 Q160 Q161 I163 I166 L210 | F119-V156 HydrophobicContact CE2-CG2 4.33Å; F119-V156 HydrophobicContact CZ-CG2 3.67Å; V152-V156 WeakPolarHBondContact O-CG2 3.49Å; V152-V156 PolarHBondContact O-N 2.95Å; V153-V156 PolarHBondContact O-N 3.44Å; L154-V156 VanDerWaalsContact C-N 3.31Å; L154-V156 PolarHBondContact O-N 3.42Å; V156-E158 VanDerWaalsContact C-N 3.32Å; V156-Q160 VanDerWaalsContact O-CA 3.23Å; V156-Q160 WeakPolarHBondContact O-CA 3.5Å; V156-Q160 PolarHBondContact O-N 3.01Å; V156-Q161 WeakPolarHBondContact CG1-O 3.34Å; V156-Q161 WeakPolarHBondContact CG2-O 3.38Å; V156-I163 HydrophobicContact CG1-CB 4.48Å; V156-I163 HydrophobicContact CG1-CG1 4.02Å; V156-I166 HydrophobicContact CB-CG1 4.26Å; V156-I166 HydrophobicContact CG1-CG1 4.26Å; V156-I166 HydrophobicContact CG2-CD1 4.46Å; V156-I166 HydrophobicContact CG2-CG1 3.7Å; V156-L210 HydrophobicContact CG1-CD2 3.86Å |
| 157 | L | 92.9 | Very high | 93.4 | Very high | 44 Ų | 44 | 56.2 Ų | 56.2 | 23% | 0.23 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66 | -37 | 171.7 | -71.6 | 166.4 | 0 | 0 | 0 | 111.6 | V153 L154 Q209 L210 I213 | V153-L157 HydrophobicContact CG1-CD1 3.83Å; V153-L157 HydrophobicContact CG1-CG 4.32Å; V153-L157 WeakPolarHBondContact O-CG 3.41Å; V153-L157 PolarHBondContact O-N 3.12Å; L154-L157 WeakPolarHBondContact O-CB 3.43Å; L154-L157 PolarHBondContact O-N 2.89Å; L154-L157 VanDerWaalsContact O-N 3.17Å; L157-Q209 HydrophobicContact CD1-CB 4.45Å; L157-Q209 HydrophobicContact CD2-CB 3.95Å; L157-L210 HydrophobicContact CD2-CD2 4.09Å; L157-L210 HydrophobicContact CG-CD2 4.33Å; L157-I213 HydrophobicContact CD2-CD1 3.83Å; L157-I213 HydrophobicContact CD2-CG1 3.98Å |
| 158 | E | 91.8 | Very high | 93.3 | Very high | 152 Ų | 152 | 56.4 Ų | 56.4 | 71% | 0.71 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -75.1 | -54.3 | 176.7 | -70 | 172.6 | -174.2 | 0 | 0 | 112.4 | L154 K155 V156 | L154-E158 WeakPolarHBondContact O-CG 3.41Å; L154-E158 PolarHBondContact O-N 3.18Å; K155-E158 PolarHBondContact O-N 2.84Å; V156-E158 VanDerWaalsContact C-N 3.32Å |
| 159 | D | 90.5 | Very high | 93.3 | Very high | 74 Ų | 74 | 56.3 Ų | 56.3 | 40% | 0.396 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -78.8 | -20.4 | -173.6 | -68.1 | -20.2 | 0 | 0 | 0 | 112.9 | K155 Q161 | K155-D159 VanDerWaalsContact CE-OD2 3.24Å; K155-D159 WeakPolarHBondContact CE-OD2 3.41Å; K155-D159 VanDerWaalsContact CG-OD2 3.29Å; K155-D159 WeakPolarHBondContact CG-OD2 3.5Å; K155-D159 IonicContact NZ-OD2 2.73Å; K155-D159 PolarHBondContact NZ-OD2 3.24Å; K155-D159 WeakPolarHBondContact O-CB 3.37Å; K155-D159 PolarHBondContact O-N 3.38Å; D159-Q161 HydrophobicContact CB-CG 4.5Å; D159-Q161 WeakPolarHBondContact O-CG 3.32Å; D159-Q161 PolarHBondContact O-N 3.26Å; D159-Q161 VanDerWaalsContact O-N 3.14Å |
| 160 | Q | 90.5 | Very high | 93.3 | Very high | 49 Ų | 49 | 56.3 Ų | 56.3 | 23% | 0.229 | 26% | 0.262 | C | S | . | . | trans | 55.5 | 26.8 | -175.7 | -57 | 177.5 | -10.5 | 0 | 0 | 114.2 | V156 I213 Q214 T216 | V156-Q160 VanDerWaalsContact O-CA 3.23Å; V156-Q160 WeakPolarHBondContact O-CA 3.5Å; V156-Q160 PolarHBondContact O-N 3.01Å; Q160-I213 HydrophobicContact CG-CG2 4.17Å; Q160-Q214 PolarHBondContact NE2-O 3.04Å; Q160-T216 PolarHBondContact NE2-OG1 3.42Å; Q160-T216 PolarHBondContact OE1-OG1 3.32Å | ||
| 161 | Q | 89.1 | Confident | 93.3 | Very high | 120 Ų | 120 | 56.5 Ų | 56.5 | 56% | 0.561 | 26% | 0.263 | S | S | * | . | trans | -107.6 | 154.4 | 177.7 | -66.8 | -175.2 | -2.9 | 0 | 0 | 111.5 | V156 D159 I163 | V156-Q161 WeakPolarHBondContact CG1-O 3.34Å; V156-Q161 WeakPolarHBondContact CG2-O 3.38Å; D159-Q161 HydrophobicContact CB-CG 4.5Å; D159-Q161 WeakPolarHBondContact O-CG 3.32Å; D159-Q161 PolarHBondContact O-N 3.26Å; D159-Q161 VanDerWaalsContact O-N 3.14Å; Q161-I163 PolarHBondContact O-N 3.36Å | ||
| 162 | N | 88.4 | Confident | 93.2 | Very high | 63 Ų | 63 | 52.8 Ų | 52.8 | 34% | 0.337 | 25% | 0.249 | S | C | . | . | S | Bend | trans | 56.8 | 22.4 | 174.5 | -59.8 | -57.2 | 0 | 0 | 0 | 115.2 | F119 R164 L165 I166 | F119-N162 HydrophobicContact CE1-CB 3.79Å; N162-R164 PolarHBondContact O-N 3.47Å; N162-R164 VanDerWaalsContact O-N 3.14Å; N162-L165 HydrophobicContact CB-CD1 4.14Å; N162-L165 WeakPolarHBondContact O-CB 3.33Å; N162-L165 PolarHBondContact O-N 3.29Å; N162-I166 PolarHBondContact O-N 3.2Å |
| 163 | I | 92.2 | Very high | 93.1 | Very high | 30 Ų | 30 | 52.8 Ų | 52.8 | 15% | 0.154 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -50.3 | -44.7 | -176.6 | -59.5 | 168.9 | 0 | 0 | 0 | 111.4 | V156 Q161 L165 I166 R167 L210 I213 | V156-I163 HydrophobicContact CG1-CB 4.48Å; V156-I163 HydrophobicContact CG1-CG1 4.02Å; Q161-I163 PolarHBondContact O-N 3.36Å; I163-L165 PolarHBondContact O-N 2.85Å; I163-I166 PolarHBondContact O-N 3.45Å; I163-R167 HydrophobicContact CG2-CG 4.39Å; I163-R167 WeakPolarHBondContact O-CG 3.47Å; I163-R167 PolarHBondContact O-N 3.11Å; I163-L210 HydrophobicContact CG2-CB 4.48Å; I163-I213 HydrophobicContact CD1-CB 4.39Å; I163-I213 HydrophobicContact CD1-CD1 4Å; I163-I213 HydrophobicContact CD1-CG2 3.92Å; I163-I213 HydrophobicContact CG1-CD1 4.07Å; I163-I213 HydrophobicContact CG2-CD1 4.29Å |
| 164 | R | 91.3 | Very high | 93 | Very high | 98 Ų | 98 | 56 Ų | 56 | 37% | 0.37 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.8 | -45.1 | 180 | -172.4 | -162.4 | 177.9 | 109.6 | 24.9 | 112.8 | N162 I166 R167 E168 R244 | N162-R164 PolarHBondContact O-N 3.47Å; N162-R164 VanDerWaalsContact O-N 3.14Å; R164-I166 VanDerWaalsContact C-N 3.29Å; R164-I166 PolarHBondContact O-N 3.42Å; R164-R167 PolarHBondContact O-N 3.22Å; R164-E168 IonicContact CZ-OE1 3.42Å; R164-E168 IonicContact NE-OE1 2.8Å; R164-E168 PolarHBondContact NE-OE1 2.61Å; R164-E168 IonicContact NH2-OE1 3.12Å; R164-E168 PolarHBondContact NH2-OE1 3.25Å; R164-E168 VanDerWaalsContact NH2-OE1 3.12Å; R164-E168 WeakPolarHBondContact O-CG 3.33Å; R164-E168 PolarHBondContact O-N 3.45Å; R164-R244 VanDerWaalsContact CZ-NE 3.26Å; R164-R244 VanDerWaalsContact CZ-NH1 3.25Å; R164-R244 VanDerWaalsContact NE-NH1 3.17Å; R164-R244 VanDerWaalsContact NH2-CD 3.29Å |
| 165 | L | 91.5 | Very high | 92.8 | Very high | 57 Ų | 57 | 55.3 Ų | 55.3 | 30% | 0.298 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.9 | -41.7 | -178 | -66.5 | 177.2 | 0 | 0 | 0 | 110.5 | V123 N162 I163 E168 L169 | V123-L165 HydrophobicContact CG1-CB 4.42Å; N162-L165 HydrophobicContact CB-CD1 4.14Å; N162-L165 WeakPolarHBondContact O-CB 3.33Å; N162-L165 PolarHBondContact O-N 3.29Å; I163-L165 PolarHBondContact O-N 2.85Å; L165-E168 PolarHBondContact O-N 2.94Å; L165-L169 WeakPolarHBondContact O-CB 3.42Å; L165-L169 PolarHBondContact O-N 3.5Å |
| 166 | I | 95.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -71.1 | -38.7 | 179.2 | -52.3 | -44.2 | 0 | 0 | 0 | 111.3 | F119 V123 V152 V153 V156 N162 I163 R164 E168 L169 L170 L210 | F119-I166 HydrophobicContact CZ-CD1 4.17Å; V123-I166 HydrophobicContact CB-CD1 4.44Å; V123-I166 HydrophobicContact CG1-CD1 3.76Å; V123-I166 HydrophobicContact CG2-CD1 3.72Å; V152-I166 HydrophobicContact CG1-CD1 3.32Å; V152-I166 HydrophobicContact CG1-CG1 3.99Å; V153-I166 HydrophobicContact CG2-CG2 3.93Å; V156-I166 HydrophobicContact CB-CG1 4.26Å; V156-I166 HydrophobicContact CG1-CG1 4.26Å; V156-I166 HydrophobicContact CG2-CD1 4.46Å; V156-I166 HydrophobicContact CG2-CG1 3.7Å; N162-I166 PolarHBondContact O-N 3.2Å; I163-I166 PolarHBondContact O-N 3.45Å; R164-I166 VanDerWaalsContact C-N 3.29Å; R164-I166 PolarHBondContact O-N 3.42Å; I166-E168 VanDerWaalsContact C-N 3.34Å; I166-E168 PolarHBondContact O-N 3.31Å; I166-L169 PolarHBondContact O-N 3.18Å; I166-L170 HydrophobicContact CG2-CD1 4.18Å; I166-L170 HydrophobicContact CG2-CG 4.16Å; I166-L170 WeakPolarHBondContact O-CB 3.35Å; I166-L170 WeakPolarHBondContact O-CG 3.45Å; I166-L170 PolarHBondContact O-N 3.16Å; I166-L210 HydrophobicContact CB-CD1 4.02Å; I166-L210 HydrophobicContact CG2-CD1 3.64Å |
| 167 | R | 94.3 | Very high | 92.3 | Very high | 117 Ų | 117 | 54.3 Ų | 54.3 | 44% | 0.442 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -58 | -45.6 | 172.8 | -72 | 175.1 | 71.1 | -174.1 | 3.7 | 111.8 | I163 R164 Q171 L210 N211 | I163-R167 HydrophobicContact CG2-CG 4.39Å; I163-R167 WeakPolarHBondContact O-CG 3.47Å; I163-R167 PolarHBondContact O-N 3.11Å; R164-R167 PolarHBondContact O-N 3.22Å; R167-Q171 VanDerWaalsContact O-CB 3.31Å; R167-Q171 WeakPolarHBondContact O-CB 3.42Å; R167-Q171 PolarHBondContact O-N 3.31Å; R167-L210 HydrophobicContact CG-CB 3.95Å; R167-L210 HydrophobicContact CG-CD1 4.04Å; R167-N211 PolarHBondContact NE-OD1 3.22Å; R167-N211 PolarHBondContact NH2-OD1 2.85Å |
| 168 | E | 93.1 | Very high | 92 | Very high | 59 Ų | 59 | 53.7 Ų | 53.7 | 28% | 0.276 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.2 | -39.9 | 177.5 | -72.3 | 177.2 | -177.2 | 0 | 0 | 111.7 | R164 L165 I166 T172 R244 | R164-E168 IonicContact CZ-OE1 3.42Å; R164-E168 IonicContact NE-OE1 2.8Å; R164-E168 PolarHBondContact NE-OE1 2.61Å; R164-E168 IonicContact NH2-OE1 3.12Å; R164-E168 PolarHBondContact NH2-OE1 3.25Å; R164-E168 VanDerWaalsContact NH2-OE1 3.12Å; R164-E168 WeakPolarHBondContact O-CG 3.33Å; R164-E168 PolarHBondContact O-N 3.45Å; L165-E168 PolarHBondContact O-N 2.94Å; I166-E168 VanDerWaalsContact C-N 3.34Å; I166-E168 PolarHBondContact O-N 3.31Å; E168-T172 VanDerWaalsContact O-CB 3.31Å; E168-T172 WeakPolarHBondContact O-CB 3.35Å; E168-T172 PolarHBondContact O-N 2.92Å; E168-T172 PolarHBondContact O-OG1 2.86Å; E168-R244 IonicContact OE1-CZ 2.75Å; E168-R244 IonicContact OE1-NH1 2.71Å; E168-R244 PolarHBondContact OE1-NH1 3.07Å; E168-R244 IonicContact OE1-NH2 2.82Å; E168-R244 IonicContact OE2-CZ 3.84Å; E168-R244 IonicContact OE2-NH1 3.48Å; E168-R244 PolarHBondContact OE2-NH1 3.07Å; E168-R244 IonicContact OE2-NH2 3.12Å |
| 169 | L | 95.6 | Very high | 91.7 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.7 | -49.6 | 175.4 | 179.3 | 154.6 | 0 | 0 | 0 | 112.2 | V123 L126 E127 L149 L165 I166 Q171 T172 L173 | V123-L169 HydrophobicContact CG1-CD1 3.92Å; V123-L169 WeakPolarHBondContact O-CD1 3.49Å; L126-L169 HydrophobicContact CB-CD1 3.74Å; E127-L169 HydrophobicContact CB-CD1 4.15Å; E127-L169 HydrophobicContact CB-CG 4.37Å; L149-L169 HydrophobicContact CD1-CD2 3.37Å; L149-L169 HydrophobicContact CD2-CD2 4.25Å; L149-L169 HydrophobicContact CG-CD2 4.47Å; L165-L169 WeakPolarHBondContact O-CB 3.42Å; L165-L169 PolarHBondContact O-N 3.5Å; I166-L169 PolarHBondContact O-N 3.18Å; L169-Q171 VanDerWaalsContact C-N 3.32Å; L169-Q171 PolarHBondContact O-N 3.47Å; L169-T172 WeakPolarHBondContact O-CB 3.47Å; L169-T172 PolarHBondContact O-N 3.04Å; L169-L173 WeakPolarHBondContact O-CB 3.27Å; L169-L173 PolarHBondContact O-N 2.92Å |
| 170 | L | 96.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.1 | -41.2 | -179.8 | -69.9 | -179.4 | 0 | 0 | 0 | 111.1 | L149 V153 I166 T172 L173 Y174 I203 W206 Q207 L210 | L149-L170 HydrophobicContact CD1-CD2 3.96Å; L149-L170 HydrophobicContact CD2-CD2 3.92Å; L149-L170 HydrophobicContact CG-CD2 4.2Å; V153-L170 HydrophobicContact CG2-CD1 4.26Å; V153-L170 HydrophobicContact CG2-CD2 4.39Å; I166-L170 HydrophobicContact CG2-CD1 4.18Å; I166-L170 HydrophobicContact CG2-CG 4.16Å; I166-L170 WeakPolarHBondContact O-CB 3.35Å; I166-L170 WeakPolarHBondContact O-CG 3.45Å; I166-L170 PolarHBondContact O-N 3.16Å; L170-T172 VanDerWaalsContact C-N 3.34Å; L170-T172 PolarHBondContact O-N 3.43Å; L170-L173 PolarHBondContact O-N 2.8Å; L170-Y174 WeakPolarHBondContact O-CB 3.26Å; L170-Y174 PolarHBondContact O-N 2.75Å; L170-I203 HydrophobicContact CB-CG2 4.26Å; L170-I203 HydrophobicContact CD2-CG2 4.3Å; L170-W206 HydrophobicContact CD1-CB 3.74Å; L170-W206 HydrophobicContact CD2-CE3 3.92Å; L170-Q207 HydrophobicContact CB-CG 3.77Å; L170-Q207 HydrophobicContact CD1-CG 3.97Å; L170-L210 HydrophobicContact CD1-CD1 3.66Å |
| 171 | Q | 94.8 | Very high | 90.5 | Very high | 91 Ų | 91 | 48.2 Ų | 48.2 | 43% | 0.425 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.2 | -45.1 | 174.7 | -176.1 | 58.3 | 48.6 | 0 | 0 | 111.4 | R167 L169 L173 Y174 T175 Q207 | R167-Q171 VanDerWaalsContact O-CB 3.31Å; R167-Q171 WeakPolarHBondContact O-CB 3.42Å; R167-Q171 PolarHBondContact O-N 3.31Å; L169-Q171 VanDerWaalsContact C-N 3.32Å; L169-Q171 PolarHBondContact O-N 3.47Å; Q171-L173 VanDerWaalsContact C-N 3.35Å; Q171-L173 PolarHBondContact O-N 2.82Å; Q171-Y174 PolarHBondContact O-N 3.35Å; Q171-T175 PolarHBondContact NE2-OG1 3.32Å; Q171-T175 VanDerWaalsContact NE2-OG1 3.12Å; Q171-T175 WeakPolarHBondContact O-CB 3.35Å; Q171-T175 PolarHBondContact O-N 3.06Å; Q171-T175 PolarHBondContact O-OG1 2.92Å; Q171-T175 VanDerWaalsContact O-OG1 3.08Å; Q171-Q207 VanDerWaalsContact OE1-NE2 3.1Å |
| 172 | T | 94.3 | Very high | 89.9 | Confident | 30 Ų | 30 | 49.9 Ų | 49.9 | 18% | 0.184 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60 | -45.9 | 176.8 | -64.1 | 0 | 0 | 0 | 0 | 111.4 | K131 E168 L169 L170 S176 | K131-T172 HydrophobicContact CD-CG2 4.01Å; K131-T172 HydrophobicContact CG-CG2 3.28Å; E168-T172 VanDerWaalsContact O-CB 3.31Å; E168-T172 WeakPolarHBondContact O-CB 3.35Å; E168-T172 PolarHBondContact O-N 2.92Å; E168-T172 PolarHBondContact O-OG1 2.86Å; L169-T172 WeakPolarHBondContact O-CB 3.47Å; L169-T172 PolarHBondContact O-N 3.04Å; L170-T172 VanDerWaalsContact C-N 3.34Å; L170-T172 PolarHBondContact O-N 3.43Å; T172-S176 VanDerWaalsContact O-CB 3.3Å; T172-S176 WeakPolarHBondContact O-CB 3.46Å; T172-S176 PolarHBondContact O-N 3.34Å; T172-S176 PolarHBondContact O-OG 2.92Å |
| 173 | L | 94.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.8 | -47.6 | 178.6 | 178.4 | 64 | 0 | 0 | 0 | 111.2 | A130 L134 F145 M146 L149 L169 L170 Q171 S176 L177 I203 | A130-L173 HydrophobicContact CB-CB 4.05Å; A130-L173 HydrophobicContact CB-CD1 3.76Å; A130-L173 HydrophobicContact CB-CG 4.49Å; L134-L173 HydrophobicContact CD2-CD1 3.96Å; F145-L173 HydrophobicContact CE1-CD1 3.98Å; F145-L173 HydrophobicContact CE1-CD2 3.93Å; F145-L173 HydrophobicContact CZ-CD1 4.23Å; F145-L173 HydrophobicContact CZ-CD2 4.42Å; M146-L173 HydrophobicContact CE-CD2 4.24Å; M146-L173 HydrophobicContact SD-CD2 4.38Å; L149-L173 HydrophobicContact CD2-CD2 3.39Å; L169-L173 WeakPolarHBondContact O-CB 3.27Å; L169-L173 PolarHBondContact O-N 2.92Å; L170-L173 PolarHBondContact O-N 2.8Å; Q171-L173 VanDerWaalsContact C-N 3.35Å; Q171-L173 PolarHBondContact O-N 2.82Å; L173-S176 PolarHBondContact O-N 3.28Å; L173-L177 HydrophobicContact CD1-CD1 4.02Å; L173-L177 HydrophobicContact CD1-CG 4.19Å; L173-L177 HydrophobicContact CG-CD1 3.96Å; L173-L177 HydrophobicContact CG-CG 4.5Å; L173-L177 WeakPolarHBondContact O-CB 3.25Å; L173-L177 VanDerWaalsContact O-CG 3.3Å; L173-L177 WeakPolarHBondContact O-CG 3.47Å; L173-L177 PolarHBondContact O-N 3.13Å; L173-I203 HydrophobicContact CD2-CD1 3.54Å; L173-I203 HydrophobicContact CD2-CG1 4.14Å; L173-I203 HydrophobicContact CG-CD1 3.89Å |
| 174 | Y | 93.1 | Very high | 87.4 | Confident | 66 Ų | 66 | 59.2 Ų | 59.2 | 26% | 0.259 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.3 | -50.4 | 178.4 | -176.4 | -96.6 | 0 | 0 | 0 | 111.5 | L170 Q171 S176 L177 C178 M200 I203 L204 | L170-Y174 WeakPolarHBondContact O-CB 3.26Å; L170-Y174 PolarHBondContact O-N 2.75Å; Q171-Y174 PolarHBondContact O-N 3.35Å; Y174-S176 VanDerWaalsContact C-N 3.33Å; Y174-S176 PolarHBondContact O-N 2.98Å; Y174-L177 PolarHBondContact O-N 3.24Å; Y174-C178 VanDerWaalsContact CE1-SG 3.56Å; Y174-C178 PolarHBondContact O-N 3.46Å; Y174-C178 PolarHBondContact O-SG 3.24Å; Y174-C178 VanDerWaalsContact O-SG 3.37Å; Y174-M200 HydrophobicContact CD2-CE 4.2Å; Y174-M200 HydrophobicContact CD2-SD 3.62Å; Y174-M200 HydrophobicContact CE2-CB 4.48Å; Y174-M200 HydrophobicContact CE2-CE 4.21Å; Y174-M200 HydrophobicContact CE2-SD 3.93Å; Y174-M200 HydrophobicContact CG-SD 4.48Å; Y174-I203 HydrophobicContact CD2-CG2 4.4Å; Y174-L204 HydrophobicContact CD2-CD2 4.12Å; Y174-L204 HydrophobicContact CD2-CG 4.21Å; Y174-L204 HydrophobicContact CE2-CD1 3.94Å; Y174-L204 HydrophobicContact CE2-CD2 3.73Å; Y174-L204 HydrophobicContact CE2-CG 3.75Å |
| 175 | T | 91.6 | Very high | 85.7 | Confident | 68 Ų | 68 | 56.3 Ų | 56.3 | 42% | 0.417 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.6 | -43 | 177.4 | -59.8 | 0 | 0 | 0 | 0 | 111.4 | Q171 L177 C178 T179 | Q171-T175 PolarHBondContact NE2-OG1 3.32Å; Q171-T175 VanDerWaalsContact NE2-OG1 3.12Å; Q171-T175 WeakPolarHBondContact O-CB 3.35Å; Q171-T175 PolarHBondContact O-N 3.06Å; Q171-T175 PolarHBondContact O-OG1 2.92Å; Q171-T175 VanDerWaalsContact O-OG1 3.08Å; T175-L177 PolarHBondContact O-N 3.47Å; T175-C178 PolarHBondContact O-N 3.08Å; T175-T179 WeakPolarHBondContact O-CG2 3.41Å; T175-T179 PolarHBondContact O-N 3.12Å; T175-T179 PolarHBondContact O-OG1 3.15Å |
| 176 | S | 89.7 | Confident | 83.9 | Confident | 20 Ų | 20 | 62.6 Ų | 62.6 | 14% | 0.14 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.5 | -46 | 178.2 | -56.8 | 0 | 0 | 0 | 0 | 111.1 | A130 T172 L173 Y174 C178 T179 L180 | A130-S176 WeakPolarHBondContact O-CB 3.41Å; A130-S176 PolarHBondContact O-OG 3.33Å; T172-S176 VanDerWaalsContact O-CB 3.3Å; T172-S176 WeakPolarHBondContact O-CB 3.46Å; T172-S176 PolarHBondContact O-N 3.34Å; T172-S176 PolarHBondContact O-OG 2.92Å; L173-S176 PolarHBondContact O-N 3.28Å; Y174-S176 VanDerWaalsContact C-N 3.33Å; Y174-S176 PolarHBondContact O-N 2.98Å; S176-C178 PolarHBondContact O-N 3.24Å; S176-T179 PolarHBondContact O-N 3.07Å; S176-T179 PolarHBondContact O-OG1 3.38Å; S176-L180 WeakPolarHBondContact O-CG 3.08Å; S176-L180 PolarHBondContact O-N 2.73Å |
| 177 | L | 88 | Confident | 81.9 | Confident | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 176.6 | -72 | 172.2 | 0 | 0 | 0 | 112.3 | L134 M146 L173 Y174 T175 T179 L180 V181 L189 W196 M200 I203 | L134-L177 HydrophobicContact CD2-CD2 3.55Å; L134-L177 HydrophobicContact CD2-CG 4.26Å; M146-L177 HydrophobicContact CE-CD1 4.39Å; L173-L177 HydrophobicContact CD1-CD1 4.02Å; L173-L177 HydrophobicContact CD1-CG 4.19Å; L173-L177 HydrophobicContact CG-CD1 3.96Å; L173-L177 HydrophobicContact CG-CG 4.5Å; L173-L177 WeakPolarHBondContact O-CB 3.25Å; L173-L177 VanDerWaalsContact O-CG 3.3Å; L173-L177 WeakPolarHBondContact O-CG 3.47Å; L173-L177 PolarHBondContact O-N 3.13Å; Y174-L177 PolarHBondContact O-N 3.24Å; T175-L177 PolarHBondContact O-N 3.47Å; L177-T179 VanDerWaalsContact C-N 3.33Å; L177-T179 PolarHBondContact O-N 3.3Å; L177-L180 PolarHBondContact O-N 3.28Å; L177-V181 WeakPolarHBondContact O-CG2 3.29Å; L177-V181 PolarHBondContact O-N 2.54Å; L177-L189 HydrophobicContact CD2-CD1 3.56Å; L177-L189 HydrophobicContact CD2-CD2 4.27Å; L177-W196 HydrophobicContact CD1-CE3 4.44Å; L177-W196 HydrophobicContact CD1-CZ3 4.21Å; L177-W196 HydrophobicContact CD2-CE3 3.88Å; L177-W196 HydrophobicContact CD2-CH2 4.37Å; L177-W196 HydrophobicContact CD2-CZ3 3.57Å; L177-M200 HydrophobicContact CB-CE 3.17Å; L177-M200 HydrophobicContact CB-SD 3.53Å; L177-M200 VanDerWaalsContact CB-SD 3.53Å; L177-M200 HydrophobicContact CD1-CE 4.32Å; L177-M200 HydrophobicContact CD1-CG 4.41Å; L177-M200 HydrophobicContact CD1-SD 3.48Å; L177-M200 WeakPolarHBondContact CD1-SD 3.46Å; L177-M200 HydrophobicContact CG-CE 4.36Å; L177-M200 HydrophobicContact CG-SD 4.15Å; L177-I203 HydrophobicContact CD1-CD1 3.77Å |
| 178 | C | 86.1 | Confident | 80.4 | Confident | 31 Ų | 31 | 64.1 Ų | 64.1 | 21% | 0.209 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.1 | -44.8 | 174.8 | -74.7 | 0 | 0 | 0 | 0 | 111.3 | Y174 T175 S176 L180 V181 Q182 M200 | Y174-C178 VanDerWaalsContact CE1-SG 3.56Å; Y174-C178 PolarHBondContact O-N 3.46Å; Y174-C178 PolarHBondContact O-SG 3.24Å; Y174-C178 VanDerWaalsContact O-SG 3.37Å; T175-C178 PolarHBondContact O-N 3.08Å; S176-C178 PolarHBondContact O-N 3.24Å; C178-L180 VanDerWaalsContact C-N 3.33Å; C178-L180 PolarHBondContact O-N 3.28Å; C178-V181 PolarHBondContact O-N 3.33Å; C178-Q182 WeakPolarHBondContact O-CB 3.34Å; C178-Q182 VanDerWaalsContact O-CG 3.29Å; C178-Q182 WeakPolarHBondContact O-CG 3.28Å; C178-Q182 PolarHBondContact O-N 2.9Å; C178-M200 HydrophobicContact CB-CE 4.46Å; C178-M200 VanDerWaalsContact SG-CE 3.53Å |
| 179 | T | 85.6 | Confident | 79.3 | Confident | 51 Ų | 51 | 62.2 Ų | 62.2 | 31% | 0.313 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.6 | -37.3 | 177.9 | 60.7 | 0 | 0 | 0 | 0 | 112.6 | T175 S176 L177 Q182 R183 | T175-T179 WeakPolarHBondContact O-CG2 3.41Å; T175-T179 PolarHBondContact O-N 3.12Å; T175-T179 PolarHBondContact O-OG1 3.15Å; S176-T179 PolarHBondContact O-N 3.07Å; S176-T179 PolarHBondContact O-OG1 3.38Å; L177-T179 VanDerWaalsContact C-N 3.33Å; L177-T179 PolarHBondContact O-N 3.3Å; T179-Q182 PolarHBondContact O-N 2.66Å; T179-R183 VanDerWaalsContact O-CB 3.26Å; T179-R183 WeakPolarHBondContact O-CB 3.09Å; T179-R183 WeakPolarHBondContact O-CG 3.23Å; T179-R183 PolarHBondContact O-N 3.03Å |
| 180 | L | 80.7 | Confident | 78.2 | Confident | 34 Ų | 34 | 65.8 Ų | 65.8 | 18% | 0.178 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.6 | -45 | 177.2 | -71.3 | 171.6 | 0 | 0 | 0 | 111.5 | T135 S176 L177 C178 V184 V188 L189 | T135-L180 HydrophobicContact CG2-CD1 3.71Å; T135-L180 HydrophobicContact CG2-CD2 3.78Å; T135-L180 HydrophobicContact CG2-CG 4.41Å; S176-L180 WeakPolarHBondContact O-CG 3.08Å; S176-L180 PolarHBondContact O-N 2.73Å; L177-L180 PolarHBondContact O-N 3.28Å; C178-L180 VanDerWaalsContact C-N 3.33Å; C178-L180 PolarHBondContact O-N 3.28Å; L180-V184 HydrophobicContact CD2-CG2 4.2Å; L180-V184 PolarHBondContact O-N 3.14Å; L180-V184 VanDerWaalsContact O-N 3.13Å; L180-V188 HydrophobicContact CD2-CG1 4.21Å; L180-L189 HydrophobicContact CD1-CD2 4.04Å |
| 181 | V | 75.8 | Confident | 77.1 | Confident | 75 Ų | 75 | 68.6 Ų | 68.6 | 46% | 0.455 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 177.7 | 173.4 | 0 | 0 | 0 | 0 | 111.5 | L177 C178 | L177-V181 WeakPolarHBondContact O-CG2 3.29Å; L177-V181 PolarHBondContact O-N 2.54Å; C178-V181 PolarHBondContact O-N 3.33Å |
| 182 | Q | 76 | Confident | 76.4 | Confident | 156 Ų | 156 | 69 Ų | 69 | 73% | 0.729 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -75.6 | -40.2 | -178.1 | -72.3 | 175 | -8.7 | 0 | 0 | 113.7 | C178 T179 | C178-Q182 WeakPolarHBondContact O-CB 3.34Å; C178-Q182 VanDerWaalsContact O-CG 3.29Å; C178-Q182 WeakPolarHBondContact O-CG 3.28Å; C178-Q182 PolarHBondContact O-N 2.9Å; T179-Q182 PolarHBondContact O-N 2.66Å |
| 183 | R | 67.8 | Low | 75.7 | Confident | 208 Ų | 208 | 71 Ų | 71 | 79% | 0.785 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -97.6 | -30.7 | -168.7 | -65.5 | -177.3 | 176.1 | 179.9 | -1.8 | 114.9 | T179 | T179-R183 VanDerWaalsContact O-CB 3.26Å; T179-R183 WeakPolarHBondContact O-CB 3.09Å; T179-R183 WeakPolarHBondContact O-CG 3.23Å; T179-R183 PolarHBondContact O-N 3.03Å |
| 184 | V | 59 | Low | 75.1 | Confident | 81 Ų | 81 | 76.4 Ų | 76.4 | 49% | 0.491 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -113.9 | -2.8 | -165.6 | -154.3 | 0 | 0 | 0 | 0 | 112.1 | L180 V188 | L180-V184 HydrophobicContact CD2-CG2 4.2Å; L180-V184 PolarHBondContact O-N 3.14Å; L180-V184 VanDerWaalsContact O-N 3.13Å; V184-V188 HydrophobicContact CB-CB 4.39Å; V184-V188 HydrophobicContact CB-CG2 3.6Å; V184-V188 HydrophobicContact CG1-CB 4.31Å; V184-V188 HydrophobicContact CG1-CG1 4.33Å; V184-V188 HydrophobicContact CG1-CG2 3.23Å; V184-V188 WeakPolarHBondContact O-CG2 3.24Å |
| 185 | G | 56.5 | Low | 74.6 | Confident | 36 Ų | 36 | 77.7 Ų | 77.7 | 37% | 0.371 | 43% | 0.431 | S | S | . | . | trans | 81.3 | 173.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | S187 | G185-S187 PolarHBondContact O-N 3.33Š| ||
| 186 | K | 53.8 | Low | 74.2 | Confident | 189 Ų | 189 | 75 Ų | 75 | 82% | 0.822 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -9.6 | -167.3 | -64.9 | 177.7 | -179.6 | 176 | 0 | 115.6 | ||
| 187 | S | 52.6 | Low | 74 | Confident | 109 Ų | 109 | 77.2 Ų | 77.2 | 76% | 0.762 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109 | 6.8 | -164.2 | 54.4 | 0 | 0 | 0 | 0 | 116.3 | G185 | G185-S187 PolarHBondContact O-N 3.33Š|
| 188 | V | 62.7 | Low | 74 | Confident | 41 Ų | 41 | 84 Ų | 84 | 25% | 0.248 | 45% | 0.452 | C | S | . | . | S | Bend | trans | -89 | -21.5 | -169.8 | 171.6 | 0 | 0 | 0 | 0 | 113.6 | T135 L180 V184 | T135-V188 HydrophobicContact CG2-CG1 3.41Å; T135-V188 VanDerWaalsContact CG2-CG1 3.41Å; L180-V188 HydrophobicContact CD2-CG1 4.21Å; V184-V188 HydrophobicContact CB-CB 4.39Å; V184-V188 HydrophobicContact CB-CG2 3.6Å; V184-V188 HydrophobicContact CG1-CB 4.31Å; V184-V188 HydrophobicContact CG1-CG1 4.33Å; V184-V188 HydrophobicContact CG1-CG2 3.23Å; V184-V188 WeakPolarHBondContact O-CG2 3.24Å |
| 189 | L | 70.3 | Confident | 74.2 | Confident | 19 Ų | 19 | 84.2 Ų | 84.2 | 10% | 0.099 | 45% | 0.449 | C | S | . | . | S | Bend | trans | -101.7 | 141.1 | 176.4 | -62.9 | 171.8 | 0 | 0 | 0 | 109.9 | L134 T135 L177 L180 G191 W196 | L134-L189 HydrophobicContact CD2-CD2 4.27Å; L134-L189 HydrophobicContact CG-CD2 4.46Å; T135-L189 HydrophobicContact CG2-CD2 4.19Å; L177-L189 HydrophobicContact CD2-CD1 3.56Å; L177-L189 HydrophobicContact CD2-CD2 4.27Å; L180-L189 HydrophobicContact CD1-CD2 4.04Å; L189-G191 PolarHBondContact O-N 2.92Å; L189-W196 HydrophobicContact CB-CD2 4.02Å; L189-W196 HydrophobicContact CB-CG 4.28Å; L189-W196 HydrophobicContact CB-CH2 4.49Å; L189-W196 HydrophobicContact CB-CZ2 3.67Å; L189-W196 VanDerWaalsContact CB-NE1 3.31Å; L189-W196 HydrophobicContact CD1-CD2 3.58Å; L189-W196 HydrophobicContact CD1-CE3 3.77Å; L189-W196 HydrophobicContact CD1-CG 3.99Å; L189-W196 HydrophobicContact CD1-CH2 4.26Å; L189-W196 HydrophobicContact CD1-CZ2 4.15Å; L189-W196 HydrophobicContact CD1-CZ3 4.1Å; L189-W196 HydrophobicContact CD2-CH2 4.07Å; L189-W196 HydrophobicContact CD2-CZ2 4.02Å; L189-W196 HydrophobicContact CG-CD2 4.36Å; L189-W196 HydrophobicContact CG-CZ2 4.17Å |
| 190 | V | 73 | Confident | 74.4 | Confident | 76 Ų | 76 | 83 Ų | 83 | 46% | 0.461 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -73.6 | 124 | -176.2 | -174.9 | 0 | 0 | 0 | 0 | 109 | W196 | V190-W196 PolarHBondContact O-NE1 2.82Å; V190-W196 VanDerWaalsContact O-NE1 3.08Å |
| 191 | G | 73 | Confident | 74.9 | Confident | 58 Ų | 58 | 86.7 Ų | 86.7 | 60% | 0.598 | 46% | 0.456 | S | S | * | . | S | Bend | trans | 115.9 | -176 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | L189 | L189-G191 PolarHBondContact O-N 2.92Š|
| 192 | N | 80.7 | Confident | 75.8 | Confident | 101 Ų | 101 | 84.4 Ų | 84.4 | 54% | 0.54 | 44% | 0.443 | S | S | . | . | trans | -71.1 | 140.4 | -179.7 | -175.7 | -27.8 | 0 | 0 | 0 | 110.8 | N194 M195 W196 | N192-N194 PolarHBondContact O-N 3.45Å; N192-N194 PolarHBondContact OD1-N 3.02Å; N192-M195 VanDerWaalsContact O-CB 3.23Å; N192-M195 WeakPolarHBondContact O-CB 3.41Å; N192-M195 PolarHBondContact O-N 3.36Å; N192-W196 PolarHBondContact O-N 3.31Å | ||
| 193 | I | 78.3 | Confident | 76.7 | Confident | 72 Ų | 72 | 77 Ų | 77 | 37% | 0.369 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -51.5 | -39.5 | 175.4 | -170.3 | 63.7 | 0 | 0 | 0 | 112.8 | M195 W196 V197 | I193-M195 PolarHBondContact O-N 3.3Å; I193-W196 PolarHBondContact O-N 3.32Å; I193-V197 WeakPolarHBondContact O-CG2 3.23Å; I193-V197 PolarHBondContact O-N 3.17Å |
| 194 | N | 81.9 | Confident | 78 | Confident | 112 Ų | 112 | 70.7 Ų | 70.7 | 60% | 0.599 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -63.3 | -32.1 | 179.5 | -66.5 | -15.4 | 0 | 0 | 0 | 112.1 | N192 W196 V197 Y198 | N192-N194 PolarHBondContact O-N 3.45Å; N192-N194 PolarHBondContact OD1-N 3.02Å; N194-W196 VanDerWaalsContact C-N 3.3Å; N194-W196 PolarHBondContact O-N 2.95Å; N194-V197 PolarHBondContact O-N 2.96Å; N194-Y198 WeakPolarHBondContact O-CB 3.29Å; N194-Y198 PolarHBondContact O-N 3.07Å |
| 195 | M | 84.1 | Confident | 79.8 | Confident | 94 Ų | 94 | 71.4 Ų | 71.4 | 46% | 0.463 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.1 | -37.6 | 174.5 | -178.8 | 61.2 | 60.4 | 0 | 0 | 111.1 | N192 I193 R199 | N192-M195 VanDerWaalsContact O-CB 3.23Å; N192-M195 WeakPolarHBondContact O-CB 3.41Å; N192-M195 PolarHBondContact O-N 3.36Å; I193-M195 PolarHBondContact O-N 3.3Å; M195-R199 VanDerWaalsContact O-CG 3.26Å; M195-R199 WeakPolarHBondContact O-CG 3.27Å; M195-R199 PolarHBondContact O-N 3.17Å |
| 196 | W | 83.5 | Confident | 81.7 | Confident | 10 Ų | 10 | 70.5 Ų | 70.5 | 4% | 0.038 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -76.3 | -34.9 | 179 | -76.4 | 104.6 | 0 | 0 | 0 | 112.8 | L134 M146 L177 L189 V190 N192 I193 N194 R199 M200 | L134-W196 HydrophobicContact CD2-CH2 4.23Å; L134-W196 HydrophobicContact CD2-CZ3 4.39Å; M146-W196 HydrophobicContact CE-CE3 4.49Å; M146-W196 HydrophobicContact CE-CH2 4.33Å; M146-W196 HydrophobicContact CE-CZ3 3.66Å; L177-W196 HydrophobicContact CD1-CE3 4.44Å; L177-W196 HydrophobicContact CD1-CZ3 4.21Å; L177-W196 HydrophobicContact CD2-CE3 3.88Å; L177-W196 HydrophobicContact CD2-CH2 4.37Å; L177-W196 HydrophobicContact CD2-CZ3 3.57Å; L189-W196 HydrophobicContact CB-CD2 4.02Å; L189-W196 HydrophobicContact CB-CG 4.28Å; L189-W196 HydrophobicContact CB-CH2 4.49Å; L189-W196 HydrophobicContact CB-CZ2 3.67Å; L189-W196 VanDerWaalsContact CB-NE1 3.31Å; L189-W196 HydrophobicContact CD1-CD2 3.58Å; L189-W196 HydrophobicContact CD1-CE3 3.77Å; L189-W196 HydrophobicContact CD1-CG 3.99Å; L189-W196 HydrophobicContact CD1-CH2 4.26Å; L189-W196 HydrophobicContact CD1-CZ2 4.15Å; L189-W196 HydrophobicContact CD1-CZ3 4.1Å; L189-W196 HydrophobicContact CD2-CH2 4.07Å; L189-W196 HydrophobicContact CD2-CZ2 4.02Å; L189-W196 HydrophobicContact CG-CD2 4.36Å; L189-W196 HydrophobicContact CG-CZ2 4.17Å; V190-W196 PolarHBondContact O-NE1 2.82Å; V190-W196 VanDerWaalsContact O-NE1 3.08Å; N192-W196 PolarHBondContact O-N 3.31Å; I193-W196 PolarHBondContact O-N 3.32Å; N194-W196 VanDerWaalsContact C-N 3.3Å; N194-W196 PolarHBondContact O-N 2.95Å; W196-R199 HydrophobicContact CE3-CB 4.34Å; W196-R199 PolarHBondContact O-N 3.3Å; W196-M200 VanDerWaalsContact O-CG 3.24Å; W196-M200 WeakPolarHBondContact O-CG 3.33Å; W196-M200 PolarHBondContact O-N 3.18Å |
| 197 | V | 84.8 | Confident | 83.7 | Confident | 67 Ų | 67 | 62.7 Ų | 62.7 | 41% | 0.406 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58.5 | -51 | 169 | 175.3 | 0 | 0 | 0 | 0 | 110 | I193 N194 R199 M200 E201 | I193-V197 WeakPolarHBondContact O-CG2 3.23Å; I193-V197 PolarHBondContact O-N 3.17Å; N194-V197 PolarHBondContact O-N 2.96Å; V197-R199 VanDerWaalsContact C-N 3.34Å; V197-R199 PolarHBondContact O-N 3.01Å; V197-M200 WeakPolarHBondContact O-CB 3.34Å; V197-M200 PolarHBondContact O-N 3.45Å; V197-E201 PolarHBondContact O-N 3.42Å |
| 198 | Y | 88 | Confident | 85.7 | Confident | 144 Ų | 144 | 63 Ų | 63 | 57% | 0.565 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -58.7 | -41.5 | 177.3 | 178.3 | -101.5 | 0 | 0 | 0 | 113.3 | N194 M200 E201 T202 | N194-Y198 WeakPolarHBondContact O-CB 3.29Å; N194-Y198 PolarHBondContact O-N 3.07Å; Y198-M200 VanDerWaalsContact C-N 3.33Å; Y198-M200 PolarHBondContact O-N 3.11Å; Y198-E201 PolarHBondContact O-N 3.26Å; Y198-T202 WeakPolarHBondContact O-CB 3.42Å; Y198-T202 PolarHBondContact O-N 3.21Å; Y198-T202 PolarHBondContact O-OG1 2.98Å |
| 199 | R | 89.3 | Confident | 87.2 | Confident | 35 Ų | 35 | 64.4 Ų | 64.4 | 13% | 0.132 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63 | -38.7 | 174.5 | -75.4 | 168.5 | 176.3 | -163.2 | -0.6 | 112.3 | M146 M195 W196 V197 T202 I203 | M146-R199 HydrophobicContact CE-CB 4.13Å; M146-R199 HydrophobicContact CE-CG 4.32Å; M195-R199 VanDerWaalsContact O-CG 3.26Å; M195-R199 WeakPolarHBondContact O-CG 3.27Å; M195-R199 PolarHBondContact O-N 3.17Å; W196-R199 HydrophobicContact CE3-CB 4.34Å; W196-R199 PolarHBondContact O-N 3.3Å; V197-R199 VanDerWaalsContact C-N 3.34Å; V197-R199 PolarHBondContact O-N 3.01Å; R199-T202 WeakPolarHBondContact O-CB 3.02Å; R199-T202 PolarHBondContact O-N 3.25Å; R199-I203 WeakPolarHBondContact O-CD1 3.38Å; R199-I203 VanDerWaalsContact O-CG1 3.26Å; R199-I203 WeakPolarHBondContact O-CG1 3.27Å; R199-I203 PolarHBondContact O-N 3.03Å |
| 200 | M | 90.4 | Very high | 88.3 | Confident | 27 Ų | 27 | 63.7 Ų | 63.7 | 13% | 0.133 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.9 | -42.9 | 176.1 | -72.7 | -72.9 | -121.7 | 0 | 0 | 111.7 | Y174 L177 C178 W196 V197 Y198 T202 I203 L204 | Y174-M200 HydrophobicContact CD2-CE 4.2Å; Y174-M200 HydrophobicContact CD2-SD 3.62Å; Y174-M200 HydrophobicContact CE2-CB 4.48Å; Y174-M200 HydrophobicContact CE2-CE 4.21Å; Y174-M200 HydrophobicContact CE2-SD 3.93Å; Y174-M200 HydrophobicContact CG-SD 4.48Å; L177-M200 HydrophobicContact CB-CE 3.17Å; L177-M200 HydrophobicContact CB-SD 3.53Å; L177-M200 VanDerWaalsContact CB-SD 3.53Å; L177-M200 HydrophobicContact CD1-CE 4.32Å; L177-M200 HydrophobicContact CD1-CG 4.41Å; L177-M200 HydrophobicContact CD1-SD 3.48Å; L177-M200 WeakPolarHBondContact CD1-SD 3.46Å; L177-M200 HydrophobicContact CG-CE 4.36Å; L177-M200 HydrophobicContact CG-SD 4.15Å; C178-M200 HydrophobicContact CB-CE 4.46Å; C178-M200 VanDerWaalsContact SG-CE 3.53Å; W196-M200 VanDerWaalsContact O-CG 3.24Å; W196-M200 WeakPolarHBondContact O-CG 3.33Å; W196-M200 PolarHBondContact O-N 3.18Å; V197-M200 WeakPolarHBondContact O-CB 3.34Å; V197-M200 PolarHBondContact O-N 3.45Å; Y198-M200 VanDerWaalsContact C-N 3.33Å; Y198-M200 PolarHBondContact O-N 3.11Å; M200-T202 VanDerWaalsContact C-N 3.29Å; M200-T202 PolarHBondContact O-N 2.92Å; M200-I203 PolarHBondContact O-N 3.45Å; M200-I203 HydrophobicContact SD-CD1 4.47Å; M200-L204 WeakPolarHBondContact O-CG 3.44Å; M200-L204 PolarHBondContact O-N 3.3Å |
| 201 | E | 92.1 | Very high | 89.2 | Confident | 111 Ų | 111 | 64 Ų | 64 | 52% | 0.519 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.9 | -41.7 | 172.9 | -70.2 | 172 | 175.6 | 0 | 0 | 111.4 | V197 Y198 I203 L204 H205 | V197-E201 PolarHBondContact O-N 3.42Å; Y198-E201 PolarHBondContact O-N 3.26Å; E201-I203 PolarHBondContact O-N 3.23Å; E201-L204 PolarHBondContact O-N 2.72Å; E201-H205 WeakPolarHBondContact O-CB 3.28Å; E201-H205 PolarHBondContact O-N 3.21Å |
| 202 | T | 94.3 | Very high | 90.1 | Very high | 27 Ų | 27 | 66.5 Ų | 66.5 | 17% | 0.166 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.1 | -42.6 | 176.9 | -56 | 0 | 0 | 0 | 0 | 111.4 | Y198 R199 M200 H205 W206 | Y198-T202 WeakPolarHBondContact O-CB 3.42Å; Y198-T202 PolarHBondContact O-N 3.21Å; Y198-T202 PolarHBondContact O-OG1 2.98Å; R199-T202 WeakPolarHBondContact O-CB 3.02Å; R199-T202 PolarHBondContact O-N 3.25Å; M200-T202 VanDerWaalsContact C-N 3.29Å; M200-T202 PolarHBondContact O-N 2.92Å; T202-H205 WeakPolarHBondContact O-CB 3.47Å; T202-H205 PolarHBondContact O-N 2.69Å; T202-W206 HydrophobicContact CG2-CD2 3.97Å; T202-W206 VanDerWaalsContact CG2-CE2 3.49Å; T202-W206 HydrophobicContact CG2-CE3 4.32Å; T202-W206 HydrophobicContact CG2-CH2 3.81Å; T202-W206 HydrophobicContact CG2-CZ2 3.39Å; T202-W206 HydrophobicContact CG2-CZ3 4.24Å; T202-W206 VanDerWaalsContact O-CG 3.32Å; T202-W206 PolarHBondContact O-N 3.38Å |
| 203 | I | 94.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.9 | -44.8 | 175.6 | -69.6 | 160.3 | 0 | 0 | 0 | 110.9 | M146 L170 L173 Y174 L177 R199 M200 E201 H205 W206 Q207 | M146-I203 HydrophobicContact CE-CD1 4.2Å; L170-I203 HydrophobicContact CB-CG2 4.26Å; L170-I203 HydrophobicContact CD2-CG2 4.3Å; L173-I203 HydrophobicContact CD2-CD1 3.54Å; L173-I203 HydrophobicContact CD2-CG1 4.14Å; L173-I203 HydrophobicContact CG-CD1 3.89Å; Y174-I203 HydrophobicContact CD2-CG2 4.4Å; L177-I203 HydrophobicContact CD1-CD1 3.77Å; R199-I203 WeakPolarHBondContact O-CD1 3.38Å; R199-I203 VanDerWaalsContact O-CG1 3.26Å; R199-I203 WeakPolarHBondContact O-CG1 3.27Å; R199-I203 PolarHBondContact O-N 3.03Å; M200-I203 PolarHBondContact O-N 3.45Å; M200-I203 HydrophobicContact SD-CD1 4.47Å; E201-I203 PolarHBondContact O-N 3.23Å; I203-H205 VanDerWaalsContact C-N 3.34Å; I203-H205 PolarHBondContact O-N 3.47Å; I203-W206 HydrophobicContact CG1-CE3 4.27Å; I203-W206 HydrophobicContact CG1-CZ3 4.29Å; I203-W206 PolarHBondContact O-N 3.3Å; I203-Q207 WeakPolarHBondContact O-CG 3.26Å; I203-Q207 PolarHBondContact O-N 3.08Å |
| 204 | L | 94.9 | Very high | 90.9 | Very high | 75 Ų | 75 | 67.9 Ų | 67.9 | 39% | 0.393 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62 | -42.9 | 176.6 | -71.6 | 171.7 | 0 | 0 | 0 | 111.4 | Y174 M200 E201 Q207 Q208 | Y174-L204 HydrophobicContact CD2-CD2 4.12Å; Y174-L204 HydrophobicContact CD2-CG 4.21Å; Y174-L204 HydrophobicContact CE2-CD1 3.94Å; Y174-L204 HydrophobicContact CE2-CD2 3.73Å; Y174-L204 HydrophobicContact CE2-CG 3.75Å; M200-L204 WeakPolarHBondContact O-CG 3.44Å; M200-L204 PolarHBondContact O-N 3.3Å; E201-L204 PolarHBondContact O-N 2.72Å; L204-Q207 WeakPolarHBondContact O-CB 3.45Å; L204-Q207 PolarHBondContact O-N 3.4Å; L204-Q208 PolarHBondContact O-N 3.16Å |
| 205 | H | 96.3 | Very high | 91.1 | Very high | 96 Ų | 96 | 68.5 Ų | 68.5 | 44% | 0.444 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.6 | -46.6 | 174.8 | 177.4 | -94.8 | 0 | 0 | 0 | 111.6 | E201 T202 I203 Q207 Q208 Q209 | E201-H205 WeakPolarHBondContact O-CB 3.28Å; E201-H205 PolarHBondContact O-N 3.21Å; T202-H205 WeakPolarHBondContact O-CB 3.47Å; T202-H205 PolarHBondContact O-N 2.69Å; I203-H205 VanDerWaalsContact C-N 3.34Å; I203-H205 PolarHBondContact O-N 3.47Å; H205-Q207 VanDerWaalsContact C-N 3.35Å; H205-Q207 PolarHBondContact O-N 3.39Å; H205-Q208 WeakPolarHBondContact O-CB 3.46Å; H205-Q208 PolarHBondContact O-N 3.41Å; H205-Q209 PolarHBondContact CE1-NE2 2.95Å; H205-Q209 VanDerWaalsContact CE1-NE2 3.35Å; H205-Q209 PolarHBondContact CE1-OE1 2.71Å; H205-Q209 PolarHBondContact ND1-OE1 3.48Å; H205-Q209 WeakPolarHBondContact O-CG 3.26Å; H205-Q209 PolarHBondContact O-N 2.66Å |
| 206 | W | 96.8 | Very high | 91 | Very high | 18 Ų | 18 | 68.7 Ų | 68.7 | 7% | 0.068 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.7 | -41.7 | 174.5 | -68.1 | -27.1 | 0 | 0 | 0 | 112.5 | L149 E150 V153 L170 T202 I203 Q208 Q209 L210 | L149-W206 HydrophobicContact CD2-CZ3 3.95Å; L149-W206 HydrophobicContact CG-CZ3 3.89Å; E150-W206 HydrophobicContact CB-CH2 3.73Å; E150-W206 HydrophobicContact CB-CZ2 3.53Å; E150-W206 HydrophobicContact CG-CH2 4.37Å; E150-W206 HydrophobicContact CG-CZ2 3.67Å; V153-W206 HydrophobicContact CB-CD2 4.4Å; V153-W206 HydrophobicContact CB-CG 4.36Å; V153-W206 HydrophobicContact CG1-CB 3.96Å; V153-W206 HydrophobicContact CG1-CD2 4.3Å; V153-W206 HydrophobicContact CG1-CG 3.76Å; V153-W206 HydrophobicContact CG2-CB 4.35Å; V153-W206 HydrophobicContact CG2-CD2 4.04Å; V153-W206 HydrophobicContact CG2-CE3 4.1Å; V153-W206 HydrophobicContact CG2-CG 4.19Å; L170-W206 HydrophobicContact CD1-CB 3.74Å; L170-W206 HydrophobicContact CD2-CE3 3.92Å; T202-W206 HydrophobicContact CG2-CD2 3.97Å; T202-W206 VanDerWaalsContact CG2-CE2 3.49Å; T202-W206 HydrophobicContact CG2-CE3 4.32Å; T202-W206 HydrophobicContact CG2-CH2 3.81Å; T202-W206 HydrophobicContact CG2-CZ2 3.39Å; T202-W206 HydrophobicContact CG2-CZ3 4.24Å; T202-W206 VanDerWaalsContact O-CG 3.32Å; T202-W206 PolarHBondContact O-N 3.38Å; I203-W206 HydrophobicContact CG1-CE3 4.27Å; I203-W206 HydrophobicContact CG1-CZ3 4.29Å; I203-W206 PolarHBondContact O-N 3.3Å; W206-Q208 VanDerWaalsContact C-N 3.3Å; W206-Q208 PolarHBondContact O-N 3.26Å; W206-Q209 PolarHBondContact O-N 2.72Å; W206-L210 VanDerWaalsContact O-CG 3.31Å; W206-L210 WeakPolarHBondContact O-CG 3.45Å; W206-L210 PolarHBondContact O-N 3.17Å |
| 207 | Q | 95.4 | Very high | 90.6 | Very high | 24 Ų | 24 | 79.1 Ų | 79.1 | 11% | 0.112 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60 | -41.9 | 174.8 | -72.9 | -177.8 | -48.7 | 0 | 0 | 111.6 | L170 Q171 I203 L204 H205 L210 N211 | L170-Q207 HydrophobicContact CB-CG 3.77Å; L170-Q207 HydrophobicContact CD1-CG 3.97Å; Q171-Q207 VanDerWaalsContact OE1-NE2 3.1Å; I203-Q207 WeakPolarHBondContact O-CG 3.26Å; I203-Q207 PolarHBondContact O-N 3.08Å; L204-Q207 WeakPolarHBondContact O-CB 3.45Å; L204-Q207 PolarHBondContact O-N 3.4Å; H205-Q207 VanDerWaalsContact C-N 3.35Å; H205-Q207 PolarHBondContact O-N 3.39Å; Q207-L210 PolarHBondContact O-N 2.9Å; Q207-N211 WeakPolarHBondContact O-CB 3.44Å; Q207-N211 PolarHBondContact O-N 2.8Å; Q207-N211 PolarHBondContact O-ND2 3.32Å; Q207-N211 PolarHBondContact O-OD1 2.94Å |
| 208 | Q | 95.1 | Very high | 90.1 | Very high | 117 Ų | 117 | 81.1 Ų | 81.1 | 55% | 0.547 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.5 | -45.8 | 176.3 | -174.3 | 179.7 | 2.6 | 0 | 0 | 111.6 | L204 H205 W206 L210 N211 N212 | L204-Q208 PolarHBondContact O-N 3.16Å; H205-Q208 WeakPolarHBondContact O-CB 3.46Å; H205-Q208 PolarHBondContact O-N 3.41Å; W206-Q208 VanDerWaalsContact C-N 3.3Å; W206-Q208 PolarHBondContact O-N 3.26Å; Q208-L210 PolarHBondContact O-N 3.12Å; Q208-N211 PolarHBondContact O-N 3.13Å; Q208-N212 VanDerWaalsContact O-CG 3.26Å; Q208-N212 PolarHBondContact O-N 3.29Å; Q208-N212 VanDerWaalsContact O-N 3.14Å; Q208-N212 PolarHBondContact O-ND2 3.45Å |
| 209 | Q | 94.8 | Very high | 89.4 | Confident | 70 Ų | 70 | 79.4 Ų | 79.4 | 33% | 0.327 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -58.1 | -48 | 176 | -70 | -178 | -56.2 | 0 | 0 | 111.5 | L157 H205 W206 N211 N212 I213 | L157-Q209 HydrophobicContact CD1-CB 4.45Å; L157-Q209 HydrophobicContact CD2-CB 3.95Å; H205-Q209 PolarHBondContact CE1-NE2 2.95Å; H205-Q209 VanDerWaalsContact CE1-NE2 3.35Å; H205-Q209 PolarHBondContact CE1-OE1 2.71Å; H205-Q209 PolarHBondContact ND1-OE1 3.48Å; H205-Q209 WeakPolarHBondContact O-CG 3.26Å; H205-Q209 PolarHBondContact O-N 2.66Å; W206-Q209 PolarHBondContact O-N 2.72Å; Q209-N211 VanDerWaalsContact C-N 3.32Å; Q209-N211 PolarHBondContact O-N 2.97Å; Q209-N212 PolarHBondContact O-N 2.96Å; Q209-N212 VanDerWaalsContact O-N 3.15Å; Q209-I213 WeakPolarHBondContact O-CG1 3.46Å; Q209-I213 PolarHBondContact O-N 2.85Å |
| 210 | L | 92.9 | Very high | 88.5 | Confident | 4 Ų | 4 | 84.7 Ų | 84.7 | 2% | 0.021 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -64.5 | -33.1 | 178.9 | -67.9 | 177.1 | 0 | 0 | 0 | 113.2 | V156 L157 I163 I166 R167 L170 W206 Q207 Q208 N212 I213 | V156-L210 HydrophobicContact CG1-CD2 3.86Å; L157-L210 HydrophobicContact CD2-CD2 4.09Å; L157-L210 HydrophobicContact CG-CD2 4.33Å; I163-L210 HydrophobicContact CG2-CB 4.48Å; I166-L210 HydrophobicContact CB-CD1 4.02Å; I166-L210 HydrophobicContact CG2-CD1 3.64Å; R167-L210 HydrophobicContact CG-CB 3.95Å; R167-L210 HydrophobicContact CG-CD1 4.04Å; L170-L210 HydrophobicContact CD1-CD1 3.66Å; W206-L210 VanDerWaalsContact O-CG 3.31Å; W206-L210 WeakPolarHBondContact O-CG 3.45Å; W206-L210 PolarHBondContact O-N 3.17Å; Q207-L210 PolarHBondContact O-N 2.9Å; Q208-L210 PolarHBondContact O-N 3.12Å; L210-N212 VanDerWaalsContact C-N 3.28Å; L210-I213 HydrophobicContact CD2-CD1 3.74Å |
| 211 | N | 91.2 | Very high | 87.8 | Confident | 82 Ų | 82 | 93.7 Ų | 93.7 | 44% | 0.439 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -69.8 | -28.5 | 176.4 | -70.8 | -21.6 | 0 | 0 | 0 | 112.3 | R167 Q207 Q208 Q209 | R167-N211 PolarHBondContact NE-OD1 3.22Å; R167-N211 PolarHBondContact NH2-OD1 2.85Å; Q207-N211 WeakPolarHBondContact O-CB 3.44Å; Q207-N211 PolarHBondContact O-N 2.8Å; Q207-N211 PolarHBondContact O-ND2 3.32Å; Q207-N211 PolarHBondContact O-OD1 2.94Å; Q208-N211 PolarHBondContact O-N 3.13Å; Q209-N211 VanDerWaalsContact C-N 3.32Å; Q209-N211 PolarHBondContact O-N 2.97Å |
| 212 | N | 92.2 | Very high | 87.4 | Confident | 110 Ų | 110 | 90.1 Ų | 90.1 | 59% | 0.588 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | 2.1 | -175.9 | -65.6 | -16.7 | 0 | 0 | 0 | 113.3 | Q208 Q209 L210 Q214 | Q208-N212 VanDerWaalsContact O-CG 3.26Å; Q208-N212 PolarHBondContact O-N 3.29Å; Q208-N212 VanDerWaalsContact O-N 3.14Å; Q208-N212 PolarHBondContact O-ND2 3.45Å; Q209-N212 PolarHBondContact O-N 2.96Å; Q209-N212 VanDerWaalsContact O-N 3.15Å; L210-N212 VanDerWaalsContact C-N 3.28Å; N212-Q214 PolarHBondContact O-N 3.08Å |
| 213 | I | 91 | Very high | 87 | Confident | 36 Ų | 36 | 95 Ų | 95 | 19% | 0.185 | 49% | 0.487 | C | S | . | . | trans | -60.3 | 125.5 | 177.3 | -67.2 | 175 | 0 | 0 | 0 | 109.5 | L157 Q160 I163 Q209 L210 | L157-I213 HydrophobicContact CD2-CD1 3.83Å; L157-I213 HydrophobicContact CD2-CG1 3.98Å; Q160-I213 HydrophobicContact CG-CG2 4.17Å; I163-I213 HydrophobicContact CD1-CB 4.39Å; I163-I213 HydrophobicContact CD1-CD1 4Å; I163-I213 HydrophobicContact CD1-CG2 3.92Å; I163-I213 HydrophobicContact CG1-CD1 4.07Å; I163-I213 HydrophobicContact CG2-CD1 4.29Å; Q209-I213 WeakPolarHBondContact O-CG1 3.46Å; Q209-I213 PolarHBondContact O-N 2.85Å; L210-I213 HydrophobicContact CD2-CD1 3.74Å | ||
| 214 | Q | 86.1 | Confident | 86.7 | Confident | 167 Ų | 167 | 98 Ų | 98 | 78% | 0.78 | 51% | 0.506 | S | S | * | . | trans | -99 | 117.6 | 164.7 | -62.8 | -174.1 | 1.6 | 0 | 0 | 108 | Q160 N212 T216 | Q160-Q214 PolarHBondContact NE2-O 3.04Å; N212-Q214 PolarHBondContact O-N 3.08Å; Q214-T216 PolarHBondContact O-N 3.38Å; Q214-T216 VanDerWaalsContact O-N 3.07Å | ||
| 215 | I | 84.7 | Confident | 86.5 | Confident | 125 Ų | 125 | 97.3 Ų | 97.3 | 64% | 0.641 | 50% | 0.5 | S | S | * | . | trans | -63.8 | 114.7 | 179.6 | -60.6 | 174.4 | 0 | 0 | 0 | 108.1 | R217 | I215-R217 PolarHBondContact O-N 3.41Š| ||
| 216 | T | 81.8 | Confident | 86.3 | Confident | 97 Ų | 97 | 95.7 Ų | 95.7 | 60% | 0.595 | 50% | 0.497 | S | S | * | . | trans | -70.4 | 114.6 | 178.5 | -52.8 | 0 | 0 | 0 | 0 | 108 | Q160 Q214 P218 | Q160-T216 PolarHBondContact NE2-OG1 3.42Å; Q160-T216 PolarHBondContact OE1-OG1 3.32Å; Q214-T216 PolarHBondContact O-N 3.38Å; Q214-T216 VanDerWaalsContact O-N 3.07Å; T216-P218 WeakPolarHBondContact O-CD 3.43Å | ||
| 217 | R | 75.5 | Confident | 86 | Confident | 230 Ų | 230 | 99.3 Ų | 99.3 | 87% | 0.868 | 52% | 0.518 | S | S | * | . | trans | -68.1 | 122.7 | 173.2 | -70.8 | -175.9 | -179.2 | 179.5 | -0.2 | 108.2 | I215 A219 | I215-R217 PolarHBondContact O-N 3.41Å; R217-A219 PolarHBondContact O-N 3Å | ||
| 218 | P | 74 | Confident | 86 | Confident | 109 Ų | 109 | 100.8 Ų | 100.8 | 71% | 0.708 | 53% | 0.526 | S | S | * | . | trans | -60.1 | 141.7 | 172.4 | 22.4 | -28.7 | 0 | 0 | 0 | 108.8 | T216 F220 | T216-P218 WeakPolarHBondContact O-CD 3.43Å; P218-F220 PolarHBondContact O-N 3.14Å | ||
| 219 | A | 73.4 | Confident | 86 | Confident | 108 Ų | 108 | 98.9 Ų | 98.9 | 89% | 0.893 | 52% | 0.523 | S | S | * | . | trans | -72.7 | 48.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | R217 | R217-A219 PolarHBondContact O-N 3Š| ||
| 220 | F | 71.9 | Confident | 85.9 | Confident | 146 Ų | 146 | 100.6 Ų | 100.6 | 64% | 0.64 | 53% | 0.534 | S | S | * | . | trans | -88.6 | 124.4 | -175.7 | -167.2 | -103.8 | 0 | 0 | 0 | 109.8 | P218 G222 L223 | P218-F220 PolarHBondContact O-N 3.14Å; F220-G222 VanDerWaalsContact CE1-C 3.44Å; F220-L223 WeakPolarHBondContact CE1-O 3.35Å | ||
| 221 | K | 74.3 | Confident | 85.8 | Confident | 215 Ų | 215 | 104.1 Ų | 104.1 | 94% | 0.935 | 56% | 0.558 | S | S | * | * | trans | -105.8 | 11.4 | 179.3 | -64.2 | -175.4 | 178.7 | -178.9 | 0 | 113.3 | ||||
| 222 | G | 84 | Confident | 86 | Confident | 36 Ų | 36 | 104.1 Ų | 104.1 | 37% | 0.371 | 56% | 0.558 | S | S | . | * | S | Bend | trans | -95 | -167.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | F220 T224 | F220-G222 VanDerWaalsContact CE1-C 3.44Å; G222-T224 PolarHBondContact O-N 3.43Å |
| 223 | L | 86.8 | Confident | 86.1 | Confident | 129 Ų | 129 | 99 Ų | 99 | 68% | 0.675 | 53% | 0.531 | S | S | * | . | trans | -52.1 | 127.9 | 174.8 | -96.9 | 129.2 | 0 | 0 | 0 | 112.1 | F220 D227 | F220-L223 WeakPolarHBondContact CE1-O 3.35Å; L223-D227 HydrophobicContact CD2-CB 3.73Å; L223-D227 HydrophobicContact CG-CB 4.49Å | ||
| 224 | T | 88.7 | Confident | 86.2 | Confident | 64 Ų | 64 | 99 Ų | 99 | 39% | 0.393 | 53% | 0.53 | S | S | . | . | trans | -97 | 167.9 | 176.5 | 69.6 | 0 | 0 | 0 | 0 | 111.2 | G222 T226 D227 | G222-T224 PolarHBondContact O-N 3.43Å; T224-T226 PolarHBondContact O-N 3.3Å; T224-T226 PolarHBondContact OG1-OG1 3.14Å; T224-D227 WeakPolarHBondContact CA-OD2 3.35Å; T224-D227 WeakPolarHBondContact CB-OD2 3.46Å; T224-D227 PolarHBondContact N-OD2 2.99Å; T224-D227 WeakPolarHBondContact O-CB 3.48Å; T224-D227 PolarHBondContact O-N 2.97Å; T224-D227 VanDerWaalsContact O-N 3.11Å; T224-D227 PolarHBondContact OG1-OD1 3Å; T224-D227 PolarHBondContact OG1-OD2 2.77Å | ||
| 225 | F | 90.6 | Very high | 86.6 | Confident | 61 Ų | 61 | 95.1 Ų | 95.1 | 27% | 0.268 | 52% | 0.515 | S | S | . | . | G | 310 helix | trans | -60.1 | -35.2 | 178.3 | 179.5 | -120 | 0 | 0 | 0 | 112.7 | D227 L228 Q233 I236 M237 L249 L256 | F225-D227 VanDerWaalsContact C-N 3.25Å; F225-D227 PolarHBondContact O-N 2.95Å; F225-L228 HydrophobicContact CD2-CD1 3.91Å; F225-L228 HydrophobicContact CE2-CD1 4.4Å; F225-L228 WeakPolarHBondContact O-CB 3.4Å; F225-L228 PolarHBondContact O-N 3.39Å; F225-Q233 HydrophobicContact CE2-CB 4.29Å; F225-Q233 HydrophobicContact CE2-CG 4.23Å; F225-Q233 HydrophobicContact CZ-CB 3.99Å; F225-Q233 HydrophobicContact CZ-CG 4.23Å; F225-Q233 PolarHBondContact O-NE2 2.91Å; F225-I236 HydrophobicContact CD2-CD1 4.26Å; F225-I236 HydrophobicContact CE2-CB 4.03Å; F225-I236 HydrophobicContact CE2-CD1 3.71Å; F225-I236 HydrophobicContact CE2-CG1 4.47Å; F225-I236 HydrophobicContact CE2-CG2 3.91Å; F225-I236 HydrophobicContact CZ-CB 4.46Å; F225-I236 HydrophobicContact CZ-CG2 4.29Å; F225-M237 HydrophobicContact CZ-CG 4.42Å; F225-L249 HydrophobicContact CE1-CD1 4.03Å; F225-L249 HydrophobicContact CE1-CD2 4.43Å; F225-L249 HydrophobicContact CE1-CG 4.49Å; F225-L249 HydrophobicContact CZ-CD1 4.47Å; F225-L256 HydrophobicContact CD1-CD1 3.8Å; F225-L256 HydrophobicContact CD1-CD2 3.92Å; F225-L256 HydrophobicContact CE1-CD1 3.83Å; F225-L256 HydrophobicContact CE1-CD2 3.44Å; F225-L256 VanDerWaalsContact CE1-CD2 3.44Å; F225-L256 HydrophobicContact CE1-CG 4.28Å; F225-L256 HydrophobicContact CZ-CD2 4.32Å |
| 226 | T | 90.9 | Very high | 87.1 | Confident | 62 Ų | 62 | 93 Ų | 93 | 38% | 0.38 | 50% | 0.504 | S | S | . | . | G | 310 helix | trans | -71.1 | -19.6 | 178 | 43.2 | 0 | 0 | 0 | 0 | 113.3 | T224 L228 Q233 A253 L256 | T224-T226 PolarHBondContact O-N 3.3Å; T224-T226 PolarHBondContact OG1-OG1 3.14Å; T226-L228 VanDerWaalsContact C-N 3.29Å; T226-Q233 PolarHBondContact O-NE2 2.89Å; T226-A253 HydrophobicContact CG2-CB 4.28Å; T226-L256 HydrophobicContact CG2-CD1 4.35Å; T226-L256 HydrophobicContact CG2-CG 4.37Å |
| 227 | D | 91.6 | Very high | 87.8 | Confident | 94 Ų | 94 | 88.3 Ų | 88.3 | 50% | 0.503 | 48% | 0.476 | S | S | . | . | G | 310 helix | trans | -80.6 | -12.3 | 177.5 | -58.1 | -36.8 | 0 | 0 | 0 | 112.4 | L223 T224 F225 | L223-D227 HydrophobicContact CD2-CB 3.73Å; L223-D227 HydrophobicContact CG-CB 4.49Å; T224-D227 WeakPolarHBondContact CA-OD2 3.35Å; T224-D227 WeakPolarHBondContact CB-OD2 3.46Å; T224-D227 PolarHBondContact N-OD2 2.99Å; T224-D227 WeakPolarHBondContact O-CB 3.48Å; T224-D227 PolarHBondContact O-N 2.97Å; T224-D227 VanDerWaalsContact O-N 3.11Å; T224-D227 PolarHBondContact OG1-OD1 3Å; T224-D227 PolarHBondContact OG1-OD2 2.77Å; F225-D227 VanDerWaalsContact C-N 3.25Å; F225-D227 PolarHBondContact O-N 2.95Å |
| 228 | L | 93.9 | Very high | 88.7 | Confident | 55 Ų | 55 | 80.2 Ų | 80.2 | 29% | 0.288 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -72.7 | 147.7 | 177.4 | -62 | 178.5 | 0 | 0 | 0 | 111.2 | F225 T226 L232 Q233 I236 | F225-L228 HydrophobicContact CD2-CD1 3.91Å; F225-L228 HydrophobicContact CE2-CD1 4.4Å; F225-L228 WeakPolarHBondContact O-CB 3.4Å; F225-L228 PolarHBondContact O-N 3.39Å; T226-L228 VanDerWaalsContact C-N 3.29Å; L228-L232 HydrophobicContact CB-CB 4.49Å; L228-Q233 HydrophobicContact CB-CG 4.02Å; L228-Q233 PolarHBondContact O-NE2 2.88Å; L228-I236 HydrophobicContact CD1-CD1 3.91Å |
| 229 | P | 94.7 | Very high | 89.6 | Confident | 76 Ų | 76 | 85.5 Ų | 85.5 | 49% | 0.494 | 45% | 0.453 | S | S | . | . | trans | -52 | 141.8 | 170.1 | -27.1 | 33 | 0 | 0 | 0 | 113 | C231 L232 Q233 | P229-C231 PolarHBondContact O-N 3.02Å; P229-C231 VanDerWaalsContact O-N 3.1Å; P229-L232 HydrophobicContact CB-CG 4.49Å; P229-L232 HydrophobicContact CG-CD1 4.37Å; P229-L232 WeakPolarHBondContact O-CA 3.35Å; P229-L232 WeakPolarHBondContact O-CB 3.4Å; P229-L232 PolarHBondContact O-N 3.33Å; P229-Q233 PolarHBondContact O-N 3.01Å | ||
| 230 | L | 92.8 | Very high | 90.5 | Very high | 106 Ų | 106 | 83 Ų | 83 | 56% | 0.555 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -53.3 | -36.8 | -176.9 | -64.3 | 176.4 | 0 | 0 | 0 | 113.3 | L232 Q233 L234 L259 | L230-L232 VanDerWaalsContact C-N 3.32Å; L230-L232 PolarHBondContact O-N 3.18Å; L230-Q233 PolarHBondContact O-N 3.17Å; L230-L234 WeakPolarHBondContact O-CB 3.39Å; L230-L234 WeakPolarHBondContact O-CG 3.5Å; L230-L234 PolarHBondContact O-N 3.03Å; L230-L259 HydrophobicContact CD2-CD1 4.12Å; L230-L259 HydrophobicContact CD2-CD2 4.41Å |
| 231 | C | 91.9 | Very high | 91.5 | Very high | 78 Ų | 78 | 79 Ų | 79 | 53% | 0.527 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.8 | -35.7 | 176.9 | 61.7 | 0 | 0 | 0 | 0 | 112.6 | P229 N235 | P229-C231 PolarHBondContact O-N 3.02Å; P229-C231 VanDerWaalsContact O-N 3.1Å; C231-N235 WeakPolarHBondContact O-CB 3.2Å; C231-N235 VanDerWaalsContact O-CG 3.29Å; C231-N235 PolarHBondContact O-N 3.38Å; C231-N235 PolarHBondContact O-ND2 2.87Å |
| 232 | L | 94.3 | Very high | 92.3 | Very high | 82 Ų | 82 | 69.4 Ų | 69.4 | 43% | 0.429 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -74.4 | -41.3 | 175.6 | -65 | -173 | 0 | 0 | 0 | 111.3 | L228 P229 L230 L234 N235 I236 | L228-L232 HydrophobicContact CB-CB 4.49Å; P229-L232 HydrophobicContact CB-CG 4.49Å; P229-L232 HydrophobicContact CG-CD1 4.37Å; P229-L232 WeakPolarHBondContact O-CA 3.35Å; P229-L232 WeakPolarHBondContact O-CB 3.4Å; P229-L232 PolarHBondContact O-N 3.33Å; L230-L232 VanDerWaalsContact C-N 3.32Å; L230-L232 PolarHBondContact O-N 3.18Å; L232-L234 VanDerWaalsContact C-N 3.34Å; L232-L234 PolarHBondContact O-N 3.46Å; L232-N235 PolarHBondContact O-N 3.14Å; L232-I236 WeakPolarHBondContact O-CG1 3.48Å; L232-I236 PolarHBondContact O-N 3.46Å |
| 233 | Q | 95.2 | Very high | 92.8 | Very high | 4 Ų | 4 | 67.7 Ų | 67.7 | 2% | 0.019 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.1 | -48.5 | 173.6 | -63 | -179.4 | 9.1 | 0 | 0 | 110.8 | F225 T226 L228 P229 L230 N235 I236 M237 L259 | F225-Q233 HydrophobicContact CE2-CB 4.29Å; F225-Q233 HydrophobicContact CE2-CG 4.23Å; F225-Q233 HydrophobicContact CZ-CB 3.99Å; F225-Q233 HydrophobicContact CZ-CG 4.23Å; F225-Q233 PolarHBondContact O-NE2 2.91Å; T226-Q233 PolarHBondContact O-NE2 2.89Å; L228-Q233 HydrophobicContact CB-CG 4.02Å; L228-Q233 PolarHBondContact O-NE2 2.88Å; P229-Q233 PolarHBondContact O-N 3.01Å; L230-Q233 PolarHBondContact O-N 3.17Å; Q233-N235 PolarHBondContact O-N 3.11Å; Q233-I236 PolarHBondContact O-N 3.37Å; Q233-M237 VanDerWaalsContact O-CG 3.28Å; Q233-M237 WeakPolarHBondContact O-CG 3.35Å; Q233-M237 PolarHBondContact O-N 3.49Å; Q233-L259 HydrophobicContact CB-CD1 3.73Å; Q233-L259 VanDerWaalsContact OE1-CD1 3.24Å |
| 234 | L | 93.9 | Very high | 93.1 | Very high | 34 Ų | 34 | 63.7 Ų | 63.7 | 18% | 0.178 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 175.6 | -79.6 | 171.9 | 0 | 0 | 0 | 112.7 | L230 L232 I236 M237 Q238 L259 | L230-L234 WeakPolarHBondContact O-CB 3.39Å; L230-L234 WeakPolarHBondContact O-CG 3.5Å; L230-L234 PolarHBondContact O-N 3.03Å; L232-L234 VanDerWaalsContact C-N 3.34Å; L232-L234 PolarHBondContact O-N 3.46Å; L234-I236 VanDerWaalsContact C-N 3.29Å; L234-I236 PolarHBondContact O-N 3.4Å; L234-M237 PolarHBondContact O-N 3.24Å; L234-Q238 WeakPolarHBondContact O-CB 3.45Å; L234-Q238 VanDerWaalsContact O-CG 3.26Å; L234-Q238 WeakPolarHBondContact O-CG 3.41Å; L234-Q238 PolarHBondContact O-N 3.2Å; L234-L259 HydrophobicContact CD1-CD2 4.02Å; L234-L259 HydrophobicContact CD2-CB 3.79Å; L234-L259 HydrophobicContact CD2-CD1 4.4Å; L234-L259 HydrophobicContact CD2-CD2 3.88Å; L234-L259 HydrophobicContact CD2-CG 4.22Å; L234-L259 HydrophobicContact CG-CB 4.42Å; L234-L259 HydrophobicContact CG-CD1 4.15Å; L234-L259 HydrophobicContact CG-CD2 3.81Å; L234-L259 HydrophobicContact CG-CG 4.34Å |
| 235 | N | 94.3 | Very high | 93.3 | Very high | 86 Ų | 86 | 64 Ų | 64 | 46% | 0.46 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.2 | -39.5 | 177.1 | -84 | -40.4 | 0 | 0 | 0 | 111.9 | C231 L232 Q233 Q238 R239 | C231-N235 WeakPolarHBondContact O-CB 3.2Å; C231-N235 VanDerWaalsContact O-CG 3.29Å; C231-N235 PolarHBondContact O-N 3.38Å; C231-N235 PolarHBondContact O-ND2 2.87Å; L232-N235 PolarHBondContact O-N 3.14Å; Q233-N235 PolarHBondContact O-N 3.11Å; N235-Q238 PolarHBondContact O-N 3.29Å; N235-R239 WeakPolarHBondContact O-CG 3.48Å |
| 236 | I | 95.1 | Very high | 93.5 | Very high | 80 Ų | 80 | 61.1 Ų | 61.1 | 41% | 0.41 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.6 | -47 | 175.6 | -68.9 | 163.9 | 0 | 0 | 0 | 110.3 | F225 L228 L232 Q233 L234 Q238 R239 | F225-I236 HydrophobicContact CD2-CD1 4.26Å; F225-I236 HydrophobicContact CE2-CB 4.03Å; F225-I236 HydrophobicContact CE2-CD1 3.71Å; F225-I236 HydrophobicContact CE2-CG1 4.47Å; F225-I236 HydrophobicContact CE2-CG2 3.91Å; F225-I236 HydrophobicContact CZ-CB 4.46Å; F225-I236 HydrophobicContact CZ-CG2 4.29Å; L228-I236 HydrophobicContact CD1-CD1 3.91Å; L232-I236 WeakPolarHBondContact O-CG1 3.48Å; L232-I236 PolarHBondContact O-N 3.46Å; Q233-I236 PolarHBondContact O-N 3.37Å; L234-I236 VanDerWaalsContact C-N 3.29Å; L234-I236 PolarHBondContact O-N 3.4Å; I236-Q238 VanDerWaalsContact C-N 3.26Å; I236-Q238 PolarHBondContact O-N 3.3Å; I236-R239 WeakPolarHBondContact O-CB 3.45Å; I236-R239 PolarHBondContact O-N 3.31Å |
| 237 | M | 95.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.8 | -37.2 | 177 | -69.5 | 172.2 | 68.5 | 0 | 0 | 112.2 | F225 Q233 L234 R239 L240 L246 L249 L259 S260 L265 | F225-M237 HydrophobicContact CZ-CG 4.42Å; Q233-M237 VanDerWaalsContact O-CG 3.28Å; Q233-M237 WeakPolarHBondContact O-CG 3.35Å; Q233-M237 PolarHBondContact O-N 3.49Å; L234-M237 PolarHBondContact O-N 3.24Å; M237-R239 PolarHBondContact O-N 3.44Å; M237-L240 WeakPolarHBondContact O-CB 3.32Å; M237-L240 PolarHBondContact O-N 2.96Å; M237-L240 VanDerWaalsContact O-N 3.11Å; M237-L246 HydrophobicContact CB-CD2 3.9Å; M237-L246 HydrophobicContact CE-CD2 4.04Å; M237-L246 HydrophobicContact CG-CD2 4.38Å; M237-L249 HydrophobicContact CE-CD2 3.55Å; M237-L249 HydrophobicContact CG-CD1 4.19Å; M237-L249 HydrophobicContact CG-CD2 3.94Å; M237-L249 HydrophobicContact SD-CD2 3.66Å; M237-L259 HydrophobicContact CE-CB 3.93Å; M237-L259 HydrophobicContact SD-CB 3.74Å; M237-L259 HydrophobicContact SD-CD1 4.22Å; M237-S260 VanDerWaalsContact CE-CA 3.43Å; M237-L265 HydrophobicContact CB-CD1 4.22Å; M237-L265 HydrophobicContact CB-CD2 4.29Å; M237-L265 HydrophobicContact CE-CD2 3.84Å |
| 238 | Q | 94.5 | Very high | 93.8 | Very high | 59 Ų | 59 | 58.7 Ų | 58.7 | 28% | 0.276 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -15.6 | 175.6 | -74.4 | 175.5 | 23.3 | 0 | 0 | 114 | L234 N235 I236 L265 K268 | L234-Q238 WeakPolarHBondContact O-CB 3.45Å; L234-Q238 VanDerWaalsContact O-CG 3.26Å; L234-Q238 WeakPolarHBondContact O-CG 3.41Å; L234-Q238 PolarHBondContact O-N 3.2Å; N235-Q238 PolarHBondContact O-N 3.29Å; I236-Q238 VanDerWaalsContact C-N 3.26Å; I236-Q238 PolarHBondContact O-N 3.3Å; Q238-L265 HydrophobicContact CB-CD1 4.15Å; Q238-L265 HydrophobicContact CG-CD1 3.48Å; Q238-L265 VanDerWaalsContact CG-CD1 3.48Å; Q238-K268 HydrophobicContact CG-CD 4.34Å |
| 239 | R | 93.4 | Very high | 93.8 | Very high | 220 Ų | 220 | 57.8 Ų | 57.8 | 83% | 0.83 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -10 | 175.2 | -60.2 | -59.3 | -178.7 | 164.3 | 0.4 | 113.3 | N235 I236 M237 S241 | N235-R239 WeakPolarHBondContact O-CG 3.48Å; I236-R239 WeakPolarHBondContact O-CB 3.45Å; I236-R239 PolarHBondContact O-N 3.31Å; M237-R239 PolarHBondContact O-N 3.44Å; R239-S241 PolarHBondContact O-N 3.26Å |
| 240 | L | 93 | Very high | 93.8 | Very high | 55 Ų | 55 | 54.3 Ų | 54.3 | 29% | 0.288 | 28% | 0.284 | S | S | . | . | trans | -70.6 | 131.3 | 174.9 | -61.3 | -175.2 | 0 | 0 | 0 | 110.5 | M237 D245 L246 L249 | M237-L240 WeakPolarHBondContact O-CB 3.32Å; M237-L240 PolarHBondContact O-N 2.96Å; M237-L240 VanDerWaalsContact O-N 3.11Å; L240-D245 HydrophobicContact CD1-CB 4.21Å; L240-L246 HydrophobicContact CB-CD2 4.37Å; L240-L246 HydrophobicContact CB-CG 4.38Å; L240-L246 HydrophobicContact CD1-CD2 3.85Å; L240-L246 HydrophobicContact CD1-CG 4.28Å; L240-L249 HydrophobicContact CD1-CD1 4.22Å | ||
| 241 | S | 91.4 | Very high | 93.9 | Very high | 63 Ų | 63 | 56.6 Ų | 56.6 | 44% | 0.441 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -97.6 | 3.5 | -178.2 | 59.5 | 0 | 0 | 0 | 0 | 113.8 | R239 H273 | R239-S241 PolarHBondContact O-N 3.26Å; S241-H273 PolarHBondContact O-CE1 3.32Å; S241-H273 PolarHBondContact O-NE2 3.49Å |
| 242 | D | 91.9 | Very high | 93.9 | Very high | 13 Ų | 13 | 56.6 Ų | 56.6 | 7% | 0.07 | 30% | 0.297 | C | S | . | . | trans | -130.8 | 120.1 | 174.8 | -164.3 | -20.1 | 0 | 0 | 0 | 109.9 | R244 D245 L246 R306 | D242-R244 PolarHBondContact O-N 2.86Å; D242-R244 VanDerWaalsContact O-N 3.09Å; D242-R244 WeakPolarHBondContact OD1-CB 3.32Å; D242-R244 WeakPolarHBondContact OD1-CG 3.37Å; D242-R244 PolarHBondContact OD1-N 3.36Å; D242-R244 IonicContact OD1-NE 3.35Å; D242-R244 PolarHBondContact OD1-NE 3.5Å; D242-R244 VanDerWaalsContact OD1-NE 3.13Å; D242-R244 IonicContact OD2-CZ 2.66Å; D242-R244 IonicContact OD2-NE 2.69Å; D242-R244 PolarHBondContact OD2-NE 3.38Å; D242-R244 IonicContact OD2-NH2 3.9Å; D242-R244 PolarHBondContact OD2-NH2 3.05Å; D242-D245 WeakPolarHBondContact CB-OD2 3.49Å; D242-D245 WeakPolarHBondContact O-CB 3.12Å; D242-D245 PolarHBondContact O-N 2.75Å; D242-L246 PolarHBondContact O-N 3.14Å; D242-R306 IonicContact OD1-NH1 3.41Å; D242-R306 PolarHBondContact OD1-NH1 3.37Å; D242-R306 IonicContact OD2-CZ 3.28Å; D242-R306 IonicContact OD2-NH1 3.81Å; D242-R306 PolarHBondContact OD2-NH1 3.05Å | ||
| 243 | G | 93.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61 | -18.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L246 V247 W266 Y297 | G243-L246 WeakPolarHBondContact O-CB 3.45Å; G243-L246 PolarHBondContact O-N 3.19Å; G243-V247 WeakPolarHBondContact O-CG2 3.09Å; G243-V247 PolarHBondContact O-N 3.37Å; G243-V247 VanDerWaalsContact O-N 3.09Å; G243-W266 WeakPolarHBondContact O-CH2 3.34Å; G243-Y297 PolarHBondContact N-OH 2.88Å |
| 244 | R | 93.4 | Very high | 93.5 | Very high | 45 Ų | 45 | 58.5 Ų | 58.5 | 17% | 0.17 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -73.2 | -33.1 | 175.5 | -56.7 | 170.3 | -55.5 | 169.8 | 3.7 | 111.5 | R164 E168 D242 L246 V247 S248 F298 | R164-R244 VanDerWaalsContact CZ-NE 3.26Å; R164-R244 VanDerWaalsContact CZ-NH1 3.25Å; R164-R244 VanDerWaalsContact NE-NH1 3.17Å; R164-R244 VanDerWaalsContact NH2-CD 3.29Å; E168-R244 IonicContact OE1-CZ 2.75Å; E168-R244 IonicContact OE1-NH1 2.71Å; E168-R244 PolarHBondContact OE1-NH1 3.07Å; E168-R244 IonicContact OE1-NH2 2.82Å; E168-R244 IonicContact OE2-CZ 3.84Å; E168-R244 IonicContact OE2-NH1 3.48Å; E168-R244 PolarHBondContact OE2-NH1 3.07Å; E168-R244 IonicContact OE2-NH2 3.12Å; D242-R244 PolarHBondContact O-N 2.86Å; D242-R244 VanDerWaalsContact O-N 3.09Å; D242-R244 WeakPolarHBondContact OD1-CB 3.32Å; D242-R244 WeakPolarHBondContact OD1-CG 3.37Å; D242-R244 PolarHBondContact OD1-N 3.36Å; D242-R244 IonicContact OD1-NE 3.35Å; D242-R244 PolarHBondContact OD1-NE 3.5Å; D242-R244 VanDerWaalsContact OD1-NE 3.13Å; D242-R244 IonicContact OD2-CZ 2.66Å; D242-R244 IonicContact OD2-NE 2.69Å; D242-R244 PolarHBondContact OD2-NE 3.38Å; D242-R244 IonicContact OD2-NH2 3.9Å; D242-R244 PolarHBondContact OD2-NH2 3.05Å; R244-L246 VanDerWaalsContact C-N 3.33Å; R244-V247 PolarHBondContact O-N 3.09Å; R244-S248 PolarHBondContact O-N 3.21Å; R244-S248 PolarHBondContact O-OG 3.43Å; R244-F298 HydrophobicContact CG-CE1 3.79Å; R244-F298 HydrophobicContact CG-CZ 4.44Å |
| 245 | D | 93.3 | Very high | 93.3 | Very high | 70 Ų | 70 | 61.8 Ų | 61.8 | 37% | 0.374 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -69.1 | -36.8 | 174.2 | -58.3 | -20.3 | 0 | 0 | 0 | 110.2 | L240 D242 S248 L249 | L240-D245 HydrophobicContact CD1-CB 4.21Å; D242-D245 WeakPolarHBondContact CB-OD2 3.49Å; D242-D245 WeakPolarHBondContact O-CB 3.12Å; D242-D245 PolarHBondContact O-N 2.75Å; D245-S248 PolarHBondContact O-N 3.16Å; D245-L249 VanDerWaalsContact O-CB 3.24Å; D245-L249 WeakPolarHBondContact O-CB 3.42Å; D245-L249 PolarHBondContact O-N 3.01Å |
| 246 | L | 95.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 171.8 | -73.9 | 175.9 | 0 | 0 | 0 | 112.9 | M237 L240 D242 G243 R244 L249 G250 L265 W266 L269 | M237-L246 HydrophobicContact CB-CD2 3.9Å; M237-L246 HydrophobicContact CE-CD2 4.04Å; M237-L246 HydrophobicContact CG-CD2 4.38Å; L240-L246 HydrophobicContact CB-CD2 4.37Å; L240-L246 HydrophobicContact CB-CG 4.38Å; L240-L246 HydrophobicContact CD1-CD2 3.85Å; L240-L246 HydrophobicContact CD1-CG 4.28Å; D242-L246 PolarHBondContact O-N 3.14Å; G243-L246 WeakPolarHBondContact O-CB 3.45Å; G243-L246 PolarHBondContact O-N 3.19Å; R244-L246 VanDerWaalsContact C-N 3.33Å; L246-L249 PolarHBondContact O-N 3.46Å; L246-G250 PolarHBondContact O-N 2.97Å; L246-L265 HydrophobicContact CD1-CD1 4.42Å; L246-L265 HydrophobicContact CD1-CD2 4.12Å; L246-L265 HydrophobicContact CD1-CG 4.04Å; L246-L265 HydrophobicContact CD2-CD1 4.48Å; L246-L265 HydrophobicContact CD2-CD2 3.88Å; L246-L265 HydrophobicContact CD2-CG 4.45Å; L246-W266 HydrophobicContact CB-CH2 4.25Å; L246-W266 HydrophobicContact CB-CZ2 4.21Å; L246-W266 HydrophobicContact CD1-CH2 4.49Å; L246-W266 HydrophobicContact CD1-CZ2 4.49Å; L246-L269 HydrophobicContact CD1-CD2 3.9Å |
| 247 | V | 95.8 | Very high | 93.3 | Very high | 40 Ų | 40 | 58.5 Ų | 58.5 | 24% | 0.242 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.2 | -46.3 | 176.3 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | G243 R244 L249 G250 Q251 W266 F298 | G243-V247 WeakPolarHBondContact O-CG2 3.09Å; G243-V247 PolarHBondContact O-N 3.37Å; G243-V247 VanDerWaalsContact O-N 3.09Å; R244-V247 PolarHBondContact O-N 3.09Å; V247-L249 VanDerWaalsContact C-N 3.31Å; V247-L249 PolarHBondContact O-N 3.24Å; V247-G250 PolarHBondContact O-N 3.19Å; V247-Q251 WeakPolarHBondContact O-CG 3.39Å; V247-Q251 PolarHBondContact O-N 2.87Å; V247-W266 HydrophobicContact CG2-CH2 3.98Å; V247-W266 HydrophobicContact CG2-CZ2 4.21Å; V247-F298 HydrophobicContact CG2-CE2 4.29Å; V247-F298 HydrophobicContact CG2-CZ 4.01Å |
| 248 | S | 93.4 | Very high | 93.2 | Very high | 66 Ų | 66 | 63.5 Ų | 63.5 | 46% | 0.462 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.4 | -37.1 | 177.6 | -67.2 | 0 | 0 | 0 | 0 | 112.4 | R244 D245 Q251 A252 | R244-S248 PolarHBondContact O-N 3.21Å; R244-S248 PolarHBondContact O-OG 3.43Å; D245-S248 PolarHBondContact O-N 3.16Å; S248-Q251 PolarHBondContact O-N 3.39Å; S248-A252 PolarHBondContact O-N 2.9Å |
| 249 | L | 93.5 | Very high | 93.2 | Very high | 35 Ų | 35 | 61.6 Ų | 61.6 | 18% | 0.183 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.2 | -41.8 | 174.5 | -176.6 | 149.3 | 0 | 0 | 0 | 111.6 | F225 M237 L240 D245 L246 V247 Q251 A252 L256 | F225-L249 HydrophobicContact CE1-CD1 4.03Å; F225-L249 HydrophobicContact CE1-CD2 4.43Å; F225-L249 HydrophobicContact CE1-CG 4.49Å; F225-L249 HydrophobicContact CZ-CD1 4.47Å; M237-L249 HydrophobicContact CE-CD2 3.55Å; M237-L249 HydrophobicContact CG-CD1 4.19Å; M237-L249 HydrophobicContact CG-CD2 3.94Å; M237-L249 HydrophobicContact SD-CD2 3.66Å; L240-L249 HydrophobicContact CD1-CD1 4.22Å; D245-L249 VanDerWaalsContact O-CB 3.24Å; D245-L249 WeakPolarHBondContact O-CB 3.42Å; D245-L249 PolarHBondContact O-N 3.01Å; L246-L249 PolarHBondContact O-N 3.46Å; V247-L249 VanDerWaalsContact C-N 3.31Å; V247-L249 PolarHBondContact O-N 3.24Å; L249-Q251 PolarHBondContact O-N 2.85Å; L249-A252 WeakPolarHBondContact O-CB 3.33Å; L249-A252 PolarHBondContact O-N 2.98Å; L249-A252 VanDerWaalsContact O-N 3.1Å; L249-L256 HydrophobicContact CD2-CB 3.83Å; L249-L256 HydrophobicContact CD2-CD1 4.02Å; L249-L256 HydrophobicContact CD2-CD2 4.31Å; L249-L256 HydrophobicContact CD2-CG 4.27Å; L249-L256 HydrophobicContact CG-CD1 4.19Å |
| 250 | G | 94.4 | Very high | 93.3 | Very high | 4 Ų | 4 | 51.2 Ų | 51.2 | 4% | 0.041 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.4 | -28.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L246 V247 A252 H257 | L246-G250 PolarHBondContact O-N 2.97Å; V247-G250 PolarHBondContact O-N 3.19Å; G250-A252 VanDerWaalsContact C-N 3.29Å; G250-H257 WeakPolarHBondContact O-CA 3.39Å; G250-H257 VanDerWaalsContact O-CB 3.29Å; G250-H257 WeakPolarHBondContact O-CB 3.31Å |
| 251 | Q | 93.9 | Very high | 93.3 | Very high | 154 Ų | 154 | 52.6 Ų | 52.6 | 72% | 0.72 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -77.2 | -14.6 | 174.4 | -70.5 | 171.9 | -18.9 | 0 | 0 | 113.3 | V247 S248 L249 | V247-Q251 WeakPolarHBondContact O-CG 3.39Å; V247-Q251 PolarHBondContact O-N 2.87Å; S248-Q251 PolarHBondContact O-N 3.39Å; L249-Q251 PolarHBondContact O-N 2.85Å |
| 252 | A | 91.8 | Very high | 93.4 | Very high | 78 Ų | 78 | 52 Ų | 52 | 65% | 0.645 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -78.7 | -31.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S248 L249 G250 | S248-A252 PolarHBondContact O-N 2.9Å; L249-A252 WeakPolarHBondContact O-CB 3.33Å; L249-A252 PolarHBondContact O-N 2.98Å; L249-A252 VanDerWaalsContact O-N 3.1Å; G250-A252 VanDerWaalsContact C-N 3.29Å |
| 253 | A | 90.3 | Very high | 93.5 | Very high | 22 Ų | 22 | 56.9 Ų | 56.9 | 18% | 0.182 | 31% | 0.312 | C | S | . | . | trans | -154.8 | 148.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | T226 D255 L256 H257 | T226-A253 HydrophobicContact CG2-CB 4.28Å; A253-D255 PolarHBondContact O-N 3.35Å; A253-L256 HydrophobicContact CB-CB 4.33Å; A253-L256 HydrophobicContact CB-CD1 4.06Å; A253-L256 HydrophobicContact CB-CG 4.06Å; A253-L256 PolarHBondContact O-N 3.43Å; A253-H257 PolarHBondContact O-N 2.8Å | ||
| 254 | P | 91.3 | Very high | 93.5 | Very high | 104 Ų | 104 | 60.9 Ų | 60.9 | 68% | 0.675 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -58.8 | -42.3 | 179.9 | -25 | 34.6 | 0 | 0 | 0 | 114.3 | L256 H257 V258 | P254-L256 VanDerWaalsContact C-N 3.3Å; P254-L256 PolarHBondContact O-N 2.85Å; P254-H257 VanDerWaalsContact O-CB 3.22Å; P254-H257 WeakPolarHBondContact O-CB 3.47Å; P254-H257 PolarHBondContact O-N 3.24Å; P254-H257 VanDerWaalsContact O-N 3.11Å; P254-V258 PolarHBondContact O-N 3.11Å |
| 255 | D | 89.8 | Confident | 93.6 | Very high | 103 Ų | 103 | 59 Ų | 59 | 55% | 0.551 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -64.7 | -39.3 | -179.7 | -60.1 | -30.4 | 0 | 0 | 0 | 111.3 | A253 H257 V258 L259 | A253-D255 PolarHBondContact O-N 3.35Å; D255-H257 VanDerWaalsContact C-N 3.31Å; D255-H257 PolarHBondContact O-N 3.41Å; D255-V258 PolarHBondContact O-N 2.84Å; D255-L259 PolarHBondContact O-N 3.47Å |
| 256 | L | 94.2 | Very high | 93.7 | Very high | 8 Ų | 8 | 55.8 Ų | 55.8 | 4% | 0.042 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.7 | -30.9 | 175.1 | -61.2 | -176.8 | 0 | 0 | 0 | 112.2 | F225 T226 L249 A253 P254 V258 L259 S260 | F225-L256 HydrophobicContact CD1-CD1 3.8Å; F225-L256 HydrophobicContact CD1-CD2 3.92Å; F225-L256 HydrophobicContact CE1-CD1 3.83Å; F225-L256 HydrophobicContact CE1-CD2 3.44Å; F225-L256 VanDerWaalsContact CE1-CD2 3.44Å; F225-L256 HydrophobicContact CE1-CG 4.28Å; F225-L256 HydrophobicContact CZ-CD2 4.32Å; T226-L256 HydrophobicContact CG2-CD1 4.35Å; T226-L256 HydrophobicContact CG2-CG 4.37Å; L249-L256 HydrophobicContact CD2-CB 3.83Å; L249-L256 HydrophobicContact CD2-CD1 4.02Å; L249-L256 HydrophobicContact CD2-CD2 4.31Å; L249-L256 HydrophobicContact CD2-CG 4.27Å; L249-L256 HydrophobicContact CG-CD1 4.19Å; A253-L256 HydrophobicContact CB-CB 4.33Å; A253-L256 HydrophobicContact CB-CD1 4.06Å; A253-L256 HydrophobicContact CB-CG 4.06Å; A253-L256 PolarHBondContact O-N 3.43Å; P254-L256 VanDerWaalsContact C-N 3.3Å; P254-L256 PolarHBondContact O-N 2.85Å; L256-V258 VanDerWaalsContact C-N 3.35Å; L256-L259 HydrophobicContact CD2-CD1 4.5Å; L256-L259 PolarHBondContact O-N 2.87Å; L256-S260 VanDerWaalsContact O-CB 3.3Å; L256-S260 WeakPolarHBondContact O-CB 3.25Å; L256-S260 PolarHBondContact O-N 3.43Å; L256-S260 PolarHBondContact O-OG 2.95Å |
| 257 | H | 95.3 | Very high | 93.7 | Very high | 89 Ų | 89 | 59.2 Ų | 59.2 | 41% | 0.412 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -58.3 | -49.1 | 173.7 | -175.2 | 50.3 | 0 | 0 | 0 | 110.7 | G250 A253 P254 D255 L259 S260 E261 | G250-H257 WeakPolarHBondContact O-CA 3.39Å; G250-H257 VanDerWaalsContact O-CB 3.29Å; G250-H257 WeakPolarHBondContact O-CB 3.31Å; A253-H257 PolarHBondContact O-N 2.8Å; P254-H257 VanDerWaalsContact O-CB 3.22Å; P254-H257 WeakPolarHBondContact O-CB 3.47Å; P254-H257 PolarHBondContact O-N 3.24Å; P254-H257 VanDerWaalsContact O-N 3.11Å; D255-H257 VanDerWaalsContact C-N 3.31Å; D255-H257 PolarHBondContact O-N 3.41Å; H257-L259 VanDerWaalsContact C-N 3.3Å; H257-L259 PolarHBondContact O-N 3.15Å; H257-S260 WeakPolarHBondContact CA-OG 3.41Å; H257-S260 PolarHBondContact O-N 3.31Å; H257-S260 VanDerWaalsContact O-N 3.07Å; H257-S260 PolarHBondContact O-OG 2.97Å; H257-E261 IonicContact CE1-OE1 3.22Å; H257-E261 PolarHBondContact CE1-OE1 3.39Å; H257-E261 VanDerWaalsContact CE1-OE1 3.28Å; H257-E261 IonicContact ND1-OE1 2.92Å; H257-E261 PolarHBondContact O-N 3.25Å; H257-E261 VanDerWaalsContact O-N 3.14Å |
| 258 | V | 93.6 | Very high | 93.7 | Very high | 105 Ų | 105 | 62.3 Ų | 62.3 | 64% | 0.636 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -56.9 | -45.3 | 179 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | P254 D255 L256 E261 | P254-V258 PolarHBondContact O-N 3.11Å; D255-V258 PolarHBondContact O-N 2.84Å; L256-V258 VanDerWaalsContact C-N 3.35Å; V258-E261 PolarHBondContact O-N 3.43Å |
| 259 | L | 94.1 | Very high | 93.8 | Very high | 19 Ų | 19 | 59.5 Ų | 59.5 | 10% | 0.099 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.5 | -36.5 | 177.6 | -59.8 | -175.4 | 0 | 0 | 0 | 112.6 | L230 Q233 L234 M237 D255 L256 H257 E261 D262 | L230-L259 HydrophobicContact CD2-CD1 4.12Å; L230-L259 HydrophobicContact CD2-CD2 4.41Å; Q233-L259 HydrophobicContact CB-CD1 3.73Å; Q233-L259 VanDerWaalsContact OE1-CD1 3.24Å; L234-L259 HydrophobicContact CD1-CD2 4.02Å; L234-L259 HydrophobicContact CD2-CB 3.79Å; L234-L259 HydrophobicContact CD2-CD1 4.4Å; L234-L259 HydrophobicContact CD2-CD2 3.88Å; L234-L259 HydrophobicContact CD2-CG 4.22Å; L234-L259 HydrophobicContact CG-CB 4.42Å; L234-L259 HydrophobicContact CG-CD1 4.15Å; L234-L259 HydrophobicContact CG-CD2 3.81Å; L234-L259 HydrophobicContact CG-CG 4.34Å; M237-L259 HydrophobicContact CE-CB 3.93Å; M237-L259 HydrophobicContact SD-CB 3.74Å; M237-L259 HydrophobicContact SD-CD1 4.22Å; D255-L259 PolarHBondContact O-N 3.47Å; L256-L259 HydrophobicContact CD2-CD1 4.5Å; L256-L259 PolarHBondContact O-N 2.87Å; H257-L259 VanDerWaalsContact C-N 3.3Å; H257-L259 PolarHBondContact O-N 3.15Å; L259-E261 PolarHBondContact O-N 2.94Å; L259-D262 VanDerWaalsContact O-CB 3.26Å; L259-D262 WeakPolarHBondContact O-CB 3.46Å; L259-D262 PolarHBondContact O-N 2.9Å; L259-D262 VanDerWaalsContact O-N 3.14Å |
| 260 | S | 95.3 | Very high | 93.9 | Very high | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.014 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.1 | -22.6 | -179.8 | 77.3 | 0 | 0 | 0 | 0 | 113.1 | M237 L256 H257 D262 W266 | M237-S260 VanDerWaalsContact CE-CA 3.43Å; L256-S260 VanDerWaalsContact O-CB 3.3Å; L256-S260 WeakPolarHBondContact O-CB 3.25Å; L256-S260 PolarHBondContact O-N 3.43Å; L256-S260 PolarHBondContact O-OG 2.95Å; H257-S260 WeakPolarHBondContact CA-OG 3.41Å; H257-S260 PolarHBondContact O-N 3.31Å; H257-S260 VanDerWaalsContact O-N 3.07Å; H257-S260 PolarHBondContact O-OG 2.97Å; S260-D262 VanDerWaalsContact C-N 3.32Å; S260-W266 PolarHBondContact O-NE1 3Å |
| 261 | E | 93.7 | Very high | 93.9 | Very high | 83 Ų | 83 | 61.5 Ų | 61.5 | 39% | 0.388 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | 3.6 | 175.5 | -60.4 | -55.3 | 151.5 | 0 | 0 | 113 | H257 V258 L259 R263 K294 | H257-E261 IonicContact CE1-OE1 3.22Å; H257-E261 PolarHBondContact CE1-OE1 3.39Å; H257-E261 VanDerWaalsContact CE1-OE1 3.28Å; H257-E261 IonicContact ND1-OE1 2.92Å; H257-E261 PolarHBondContact O-N 3.25Å; H257-E261 VanDerWaalsContact O-N 3.14Å; V258-E261 PolarHBondContact O-N 3.43Å; L259-E261 PolarHBondContact O-N 2.94Å; E261-R263 PolarHBondContact O-N 3.46Å; E261-K294 IonicContact OE1-NZ 2.8Å; E261-K294 PolarHBondContact OE1-NZ 3.27Å; E261-K294 WeakPolarHBondContact OE2-CD 3.42Å; E261-K294 IonicContact OE2-NZ 3.68Å; E261-K294 PolarHBondContact OE2-NZ 3.45Å |
| 262 | D | 93.5 | Very high | 94 | Very high | 50 Ų | 50 | 58 Ų | 58 | 27% | 0.267 | 30% | 0.302 | S | S | . | . | trans | -60.9 | 120.9 | 176.9 | -177.8 | -9.8 | 0 | 0 | 0 | 111.5 | L259 S260 L264 L265 W266 | L259-D262 VanDerWaalsContact O-CB 3.26Å; L259-D262 WeakPolarHBondContact O-CB 3.46Å; L259-D262 PolarHBondContact O-N 2.9Å; L259-D262 VanDerWaalsContact O-N 3.14Å; S260-D262 VanDerWaalsContact C-N 3.32Å; D262-L264 VanDerWaalsContact C-N 3.29Å; D262-L264 PolarHBondContact O-N 3.15Å; D262-L264 PolarHBondContact OD1-N 3.24Å; D262-L265 HydrophobicContact CB-CB 4.06Å; D262-L265 WeakPolarHBondContact O-CB 3.29Å; D262-L265 PolarHBondContact O-N 3.14Å; D262-W266 VanDerWaalsContact O-CD1 3.25Å; D262-W266 PolarHBondContact O-N 3.29Å | ||
| 263 | R | 93.4 | Very high | 94.1 | Very high | 116 Ų | 116 | 55.1 Ų | 55.1 | 44% | 0.438 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -54.8 | -40.8 | 177.5 | -168.7 | -175.2 | 70 | 146.1 | -1 | 113.2 | E261 L265 K267 W293 | E261-R263 PolarHBondContact O-N 3.46Å; R263-L265 VanDerWaalsContact C-N 3.34Å; R263-K267 WeakPolarHBondContact O-CB 3.48Å; R263-K267 PolarHBondContact O-N 2.89Å; R263-W293 VanDerWaalsContact CG-CD1 3.45Å |
| 264 | L | 93.3 | Very high | 94.4 | Very high | 85 Ų | 85 | 54.4 Ų | 54.4 | 45% | 0.445 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -72 | -31.3 | -176.6 | -65.3 | -178.8 | 0 | 0 | 0 | 111.9 | D262 K267 K268 | D262-L264 VanDerWaalsContact C-N 3.29Å; D262-L264 PolarHBondContact O-N 3.15Å; D262-L264 PolarHBondContact OD1-N 3.24Å; L264-K267 PolarHBondContact O-N 3.29Å; L264-K268 WeakPolarHBondContact O-CB 3.43Å; L264-K268 WeakPolarHBondContact O-CG 3.44Å; L264-K268 PolarHBondContact O-N 2.98Å |
| 265 | L | 95.7 | Very high | 94.5 | Very high | 4 Ų | 4 | 52.3 Ų | 52.3 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.3 | -51.6 | 173.6 | 179.4 | 64.1 | 0 | 0 | 0 | 110.7 | M237 Q238 L246 D262 R263 K267 K268 L269 | M237-L265 HydrophobicContact CB-CD1 4.22Å; M237-L265 HydrophobicContact CB-CD2 4.29Å; M237-L265 HydrophobicContact CE-CD2 3.84Å; Q238-L265 HydrophobicContact CB-CD1 4.15Å; Q238-L265 HydrophobicContact CG-CD1 3.48Å; Q238-L265 VanDerWaalsContact CG-CD1 3.48Å; L246-L265 HydrophobicContact CD1-CD1 4.42Å; L246-L265 HydrophobicContact CD1-CD2 4.12Å; L246-L265 HydrophobicContact CD1-CG 4.04Å; L246-L265 HydrophobicContact CD2-CD1 4.48Å; L246-L265 HydrophobicContact CD2-CD2 3.88Å; L246-L265 HydrophobicContact CD2-CG 4.45Å; D262-L265 HydrophobicContact CB-CB 4.06Å; D262-L265 WeakPolarHBondContact O-CB 3.29Å; D262-L265 PolarHBondContact O-N 3.14Å; R263-L265 VanDerWaalsContact C-N 3.34Å; L265-K267 PolarHBondContact O-N 3.26Å; L265-K268 PolarHBondContact O-N 3.14Å; L265-L269 PolarHBondContact O-N 3.3Å |
| 266 | W | 96.6 | Very high | 94.7 | Very high | 3 Ų | 3 | 51.4 Ų | 51.4 | 1% | 0.011 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.4 | -35.4 | 177.6 | -69.4 | 101 | 0 | 0 | 0 | 113.3 | G243 L246 V247 S260 D262 L269 C270 W293 K294 Y297 F298 | G243-W266 WeakPolarHBondContact O-CH2 3.34Å; L246-W266 HydrophobicContact CB-CH2 4.25Å; L246-W266 HydrophobicContact CB-CZ2 4.21Å; L246-W266 HydrophobicContact CD1-CH2 4.49Å; L246-W266 HydrophobicContact CD1-CZ2 4.49Å; V247-W266 HydrophobicContact CG2-CH2 3.98Å; V247-W266 HydrophobicContact CG2-CZ2 4.21Å; S260-W266 PolarHBondContact O-NE1 3Å; D262-W266 VanDerWaalsContact O-CD1 3.25Å; D262-W266 PolarHBondContact O-N 3.29Å; W266-L269 HydrophobicContact CE3-CD2 4.03Å; W266-L269 HydrophobicContact CZ3-CD2 4.01Å; W266-L269 PolarHBondContact O-N 2.83Å; W266-C270 PolarHBondContact O-N 2.69Å; W266-C270 PolarHBondContact O-SG 3.43Å; W266-W293 HydrophobicContact CB-CB 3.54Å; W266-K294 HydrophobicContact CD2-CB 3.77Å; W266-K294 HydrophobicContact CD2-CG 3.85Å; W266-K294 HydrophobicContact CE3-CB 4.22Å; W266-K294 HydrophobicContact CE3-CG 4.12Å; W266-K294 HydrophobicContact CG-CB 3.9Å; W266-K294 HydrophobicContact CG-CG 4.46Å; W266-K294 HydrophobicContact CH2-CG 3.99Å; W266-K294 HydrophobicContact CZ2-CD 3.87Å; W266-K294 HydrophobicContact CZ2-CG 3.73Å; W266-K294 HydrophobicContact CZ3-CG 4.17Å; W266-Y297 HydrophobicContact CE3-CD1 4.23Å; W266-Y297 HydrophobicContact CE3-CG 4.15Å; W266-Y297 AromaticContact CZ3-CD1 3.68Å; W266-Y297 HydrophobicContact CZ3-CD1 3.68Å; W266-Y297 HydrophobicContact CZ3-CE1 4.28Å; W266-Y297 HydrophobicContact CZ3-CG 4.07Å; W266-F298 AromaticContact CH2-CE2 3.93Å; W266-F298 HydrophobicContact CH2-CE2 3.93Å; W266-F298 HydrophobicContact CH2-CZ 4.13Å; W266-F298 HydrophobicContact CZ3-CE2 4.04Å; W266-F298 HydrophobicContact CZ3-CZ 4.32Å |
| 267 | K | 95.3 | Very high | 94.7 | Very high | 74 Ų | 74 | 59.9 Ų | 59.9 | 32% | 0.322 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.3 | -50.8 | 173.3 | -179.9 | 179.4 | 177 | -173.6 | 0 | 111.1 | R263 L264 L265 L269 C270 Q271 W293 | R263-K267 WeakPolarHBondContact O-CB 3.48Å; R263-K267 PolarHBondContact O-N 2.89Å; L264-K267 PolarHBondContact O-N 3.29Å; L265-K267 PolarHBondContact O-N 3.26Å; K267-L269 VanDerWaalsContact C-N 3.3Å; K267-L269 PolarHBondContact O-N 3.33Å; K267-C270 WeakPolarHBondContact O-CB 3.42Å; K267-C270 PolarHBondContact O-N 2.92Å; K267-Q271 WeakPolarHBondContact O-CG 3.31Å; K267-Q271 PolarHBondContact O-N 2.97Å; K267-W293 HydrophobicContact CB-CD2 3.65Å; K267-W293 HydrophobicContact CB-CE3 4.08Å; K267-W293 HydrophobicContact CB-CG 3.9Å; K267-W293 HydrophobicContact CB-CZ2 4.31Å; K267-W293 HydrophobicContact CD-CH2 4.31Å; K267-W293 HydrophobicContact CD-CZ2 3.77Å; K267-W293 HydrophobicContact CG-CD2 3.92Å; K267-W293 HydrophobicContact CG-CE3 4.09Å; K267-W293 HydrophobicContact CG-CH2 3.89Å; K267-W293 HydrophobicContact CG-CZ2 3.7Å; K267-W293 HydrophobicContact CG-CZ3 4.08Å |
| 268 | K | 95.6 | Very high | 94.6 | Very high | 104 Ų | 104 | 58 Ų | 58 | 45% | 0.452 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.8 | -42.9 | 177.3 | -75.8 | -177.8 | -177.8 | -174.8 | 0 | 111.1 | Q238 L264 L265 C270 Q271 Y272 | Q238-K268 HydrophobicContact CG-CD 4.34Å; L264-K268 WeakPolarHBondContact O-CB 3.43Å; L264-K268 WeakPolarHBondContact O-CG 3.44Å; L264-K268 PolarHBondContact O-N 2.98Å; L265-K268 PolarHBondContact O-N 3.14Å; K268-C270 PolarHBondContact O-N 3.41Å; K268-Q271 PolarHBondContact O-N 2.85Å; K268-Y272 WeakPolarHBondContact O-CB 3.41Å; K268-Y272 PolarHBondContact O-N 2.82Å |
| 269 | L | 95.8 | Very high | 94.6 | Very high | 8 Ų | 8 | 53.1 Ų | 53.1 | 4% | 0.042 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.5 | -42.8 | 177.3 | -174.9 | 64.8 | 0 | 0 | 0 | 112.3 | L246 L265 W266 K267 Y272 H273 Y297 | L246-L269 HydrophobicContact CD1-CD2 3.9Å; L265-L269 PolarHBondContact O-N 3.3Å; W266-L269 HydrophobicContact CE3-CD2 4.03Å; W266-L269 HydrophobicContact CZ3-CD2 4.01Å; W266-L269 PolarHBondContact O-N 2.83Å; K267-L269 VanDerWaalsContact C-N 3.3Å; K267-L269 PolarHBondContact O-N 3.33Å; L269-Y272 PolarHBondContact O-N 3.29Å; L269-H273 PolarHBondContact O-CD2 3.34Å; L269-H273 VanDerWaalsContact O-CD2 3.27Å; L269-H273 PolarHBondContact O-N 2.87Å; L269-Y297 HydrophobicContact CD1-CE2 4.34Å; L269-Y297 HydrophobicContact CD2-CD1 4.42Å; L269-Y297 HydrophobicContact CD2-CD2 3.82Å; L269-Y297 HydrophobicContact CD2-CE1 4.21Å; L269-Y297 HydrophobicContact CD2-CE2 3.58Å; L269-Y297 HydrophobicContact CD2-CG 4.24Å; L269-Y297 HydrophobicContact CG-CD2 3.86Å; L269-Y297 HydrophobicContact CG-CE2 3.61Å |
| 270 | C | 95.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.1 | -48.2 | 174 | -71.4 | 0 | 0 | 0 | 0 | 111.7 | W266 K267 K268 Y272 H273 F274 I279 W293 | W266-C270 PolarHBondContact O-N 2.69Å; W266-C270 PolarHBondContact O-SG 3.43Å; K267-C270 WeakPolarHBondContact O-CB 3.42Å; K267-C270 PolarHBondContact O-N 2.92Å; K268-C270 PolarHBondContact O-N 3.41Å; C270-Y272 PolarHBondContact O-N 3.46Å; C270-H273 PolarHBondContact O-N 3.41Å; C270-F274 WeakPolarHBondContact O-CB 3.28Å; C270-F274 WeakPolarHBondContact O-CD2 3.38Å; C270-F274 PolarHBondContact O-N 3.49Å; C270-I279 HydrophobicContact CB-CD1 4.26Å; C270-W293 HydrophobicContact CB-CE3 4.02Å; C270-W293 HydrophobicContact CB-CZ3 4.24Å |
| 271 | Q | 94.9 | Very high | 94.3 | Very high | 81 Ų | 81 | 66.5 Ų | 66.5 | 38% | 0.379 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.7 | -26.5 | -179.2 | -69.4 | -179.5 | -47 | 0 | 0 | 112.8 | K267 K268 E276 I279 | K267-Q271 WeakPolarHBondContact O-CG 3.31Å; K267-Q271 PolarHBondContact O-N 2.97Å; K268-Q271 PolarHBondContact O-N 2.85Å; Q271-E276 PolarHBondContact NE2-OE1 3.45Å; Q271-I279 HydrophobicContact CG-CD1 4.17Å |
| 272 | Y | 94.9 | Very high | 94 | Very high | 80 Ų | 80 | 68.2 Ų | 68.2 | 31% | 0.314 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -69.5 | -38.9 | 175 | 171.9 | -103.7 | 0 | 0 | 0 | 112.7 | K268 L269 C270 K307 Q309 | K268-Y272 WeakPolarHBondContact O-CB 3.41Å; K268-Y272 PolarHBondContact O-N 2.82Å; L269-Y272 PolarHBondContact O-N 3.29Å; C270-Y272 PolarHBondContact O-N 3.46Å; Y272-K307 HydrophobicContact CE2-CD 4.27Å; Y272-K307 WeakPolarHBondContact O-CD 3.44Å; Y272-Q309 PolarHBondContact OH-NE2 3Å; Y272-Q309 PolarHBondContact OH-OE1 3.27Å |
| 273 | H | 94.9 | Very high | 93.9 | Very high | 18 Ų | 18 | 70.5 Ų | 70.5 | 8% | 0.083 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -94.4 | -30 | -178 | -68.6 | -71.3 | 0 | 0 | 0 | 114.6 | S241 L269 C270 Y297 K307 | S241-H273 PolarHBondContact O-CE1 3.32Å; S241-H273 PolarHBondContact O-NE2 3.49Å; L269-H273 PolarHBondContact O-CD2 3.34Å; L269-H273 VanDerWaalsContact O-CD2 3.27Å; L269-H273 PolarHBondContact O-N 2.87Å; C270-H273 PolarHBondContact O-N 3.41Å; H273-Y297 AromaticContact CD2-CE2 3.8Å; H273-K307 PolarHBondContact ND1-N 2.94Å |
| 274 | F | 95.4 | Very high | 93.8 | Very high | 7 Ų | 7 | 67.5 Ų | 67.5 | 3% | 0.031 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -125.2 | 142.3 | -167.3 | -50.6 | -64.3 | 0 | 0 | 0 | 111.7 | C270 Q278 I279 Y297 L300 V301 | C270-F274 WeakPolarHBondContact O-CB 3.28Å; C270-F274 WeakPolarHBondContact O-CD2 3.38Å; C270-F274 PolarHBondContact O-N 3.49Å; F274-Q278 HydrophobicContact CB-CB 4.3Å; F274-I279 HydrophobicContact CB-CD1 4.37Å; F274-I279 HydrophobicContact CB-CG1 3.97Å; F274-Y297 HydrophobicContact CE2-CD2 4.13Å; F274-Y297 HydrophobicContact CE2-CE2 4.38Å; F274-L300 HydrophobicContact CD1-CB 4.33Å; F274-L300 HydrophobicContact CD2-CB 3.74Å; F274-L300 HydrophobicContact CD2-CD1 3.65Å; F274-L300 HydrophobicContact CD2-CG 4.27Å; F274-L300 HydrophobicContact CE1-CB 4.08Å; F274-L300 HydrophobicContact CE2-CB 3.43Å; F274-L300 VanDerWaalsContact CE2-CB 3.43Å; F274-L300 HydrophobicContact CE2-CD1 4.11Å; F274-L300 HydrophobicContact CE2-CG 4.4Å; F274-L300 HydrophobicContact CG-CB 4.18Å; F274-L300 HydrophobicContact CG-CD1 4.19Å; F274-L300 HydrophobicContact CZ-CB 3.62Å; F274-V301 HydrophobicContact CE2-CG2 4.27Å; F274-V301 HydrophobicContact CZ-CB 4.45Å; F274-V301 HydrophobicContact CZ-CG2 3.75Å |
| 275 | S | 94.2 | Very high | 93.6 | Very high | 59 Ų | 59 | 69 Ų | 69 | 41% | 0.413 | 31% | 0.308 | S | S | . | . | trans | -68.3 | 152.6 | 171.9 | 63.3 | 0 | 0 | 0 | 0 | 111.4 | R277 Q278 I279 | S275-R277 PolarHBondContact O-N 3.39Å; S275-R277 VanDerWaalsContact O-N 3.1Å; S275-Q278 WeakPolarHBondContact O-CB 3.48Å; S275-Q278 PolarHBondContact O-N 2.97Å; S275-Q278 WeakPolarHBondContact OG-CG 3.25Å; S275-Q278 PolarHBondContact OG-N 3.08Å; S275-Q278 PolarHBondContact OG-OE1 2.94Å; S275-I279 WeakPolarHBondContact O-CG1 3.32Å; S275-I279 PolarHBondContact O-N 3.12Å | ||
| 276 | E | 93.7 | Very high | 93.3 | Very high | 84 Ų | 84 | 70.2 Ų | 70.2 | 39% | 0.393 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -52.2 | -35.3 | 174 | -72.2 | -66.3 | 150.2 | 0 | 0 | 112.3 | Q271 I279 R280 | Q271-E276 PolarHBondContact NE2-OE1 3.45Å; E276-I279 PolarHBondContact O-N 2.91Å; E276-R280 WeakPolarHBondContact O-CB 3.3Å; E276-R280 VanDerWaalsContact O-CG 3.25Å; E276-R280 WeakPolarHBondContact O-CG 3.46Å; E276-R280 PolarHBondContact O-N 3.33Å |
| 277 | R | 93.5 | Very high | 92.8 | Very high | 186 Ų | 186 | 78.1 Ų | 78.1 | 70% | 0.702 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -65.3 | -39.4 | 176.1 | -170.9 | 177.4 | -176.5 | -179.9 | 0.1 | 112.7 | S275 K281 | S275-R277 PolarHBondContact O-N 3.39Å; S275-R277 VanDerWaalsContact O-N 3.1Å; R277-K281 WeakPolarHBondContact O-CG 3.5Å |
| 278 | Q | 93 | Very high | 92.3 | Very high | 49 Ų | 49 | 83.4 Ų | 83.4 | 23% | 0.229 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -69.5 | -41.6 | 176.8 | -73.3 | 163.1 | -39.9 | 0 | 0 | 111 | F274 S275 K281 Y304 | F274-Q278 HydrophobicContact CB-CB 4.3Å; S275-Q278 WeakPolarHBondContact O-CB 3.48Å; S275-Q278 PolarHBondContact O-N 2.97Å; S275-Q278 WeakPolarHBondContact OG-CG 3.25Å; S275-Q278 PolarHBondContact OG-N 3.08Å; S275-Q278 PolarHBondContact OG-OE1 2.94Å; Q278-K281 PolarHBondContact O-N 3.01Å; Q278-Y304 HydrophobicContact CB-CD2 4.06Å; Q278-Y304 HydrophobicContact CB-CE2 3.81Å; Q278-Y304 HydrophobicContact CG-CD1 4.11Å; Q278-Y304 HydrophobicContact CG-CD2 4.14Å; Q278-Y304 HydrophobicContact CG-CE1 3.97Å; Q278-Y304 HydrophobicContact CG-CE2 3.99Å; Q278-Y304 HydrophobicContact CG-CG 4.21Å |
| 279 | I | 93.6 | Very high | 91.8 | Very high | 3 Ų | 3 | 81 Ų | 81 | 2% | 0.015 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.7 | -48.8 | 179 | -65.1 | 171.8 | 0 | 0 | 0 | 110.6 | C270 Q271 F274 S275 E276 K281 R282 L283 W293 M296 L300 | C270-I279 HydrophobicContact CB-CD1 4.26Å; Q271-I279 HydrophobicContact CG-CD1 4.17Å; F274-I279 HydrophobicContact CB-CD1 4.37Å; F274-I279 HydrophobicContact CB-CG1 3.97Å; S275-I279 WeakPolarHBondContact O-CG1 3.32Å; S275-I279 PolarHBondContact O-N 3.12Å; E276-I279 PolarHBondContact O-N 2.91Å; I279-K281 PolarHBondContact O-N 3.25Å; I279-K281 VanDerWaalsContact O-N 3.16Å; I279-R282 CarbonylContact O-C 3.52Å; I279-R282 PolarHBondContact O-N 3.19Å; I279-L283 HydrophobicContact CG2-CD2 4.48Å; I279-W293 HydrophobicContact CG2-CH2 4.25Å; I279-W293 HydrophobicContact CG2-CZ3 3.85Å; I279-M296 HydrophobicContact CG2-CE 3.68Å; I279-L300 HydrophobicContact CG1-CD1 4.05Å |
| 280 | R | 91.9 | Very high | 91.5 | Very high | 177 Ų | 177 | 85.5 Ų | 85.5 | 67% | 0.668 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -60.2 | -26.6 | -179.8 | -72.4 | 174.8 | -166 | 173.5 | 3.1 | 114 | E276 R282 | E276-R280 WeakPolarHBondContact O-CB 3.3Å; E276-R280 VanDerWaalsContact O-CG 3.25Å; E276-R280 WeakPolarHBondContact O-CG 3.46Å; E276-R280 PolarHBondContact O-N 3.33Å; R280-R282 VanDerWaalsContact C-N 3.25Å; R280-R282 PolarHBondContact O-N 3.08Å |
| 281 | K | 91.8 | Very high | 91.4 | Very high | 125 Ų | 125 | 87.9 Ų | 87.9 | 54% | 0.543 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -14.7 | 177.9 | -75 | -179.5 | 177 | -170.6 | 0 | 113.7 | R277 Q278 I279 | R277-K281 WeakPolarHBondContact O-CG 3.5Å; Q278-K281 PolarHBondContact O-N 3.01Å; I279-K281 PolarHBondContact O-N 3.25Å; I279-K281 VanDerWaalsContact O-N 3.16Å |
| 282 | R | 88 | Confident | 91.3 | Very high | 119 Ų | 119 | 85.4 Ų | 85.4 | 45% | 0.449 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.9 | 51.4 | -171.1 | -63.4 | -65.3 | -172.2 | -146.2 | 3 | 111.2 | I279 R280 L300 | I279-R282 CarbonylContact O-C 3.52Å; I279-R282 PolarHBondContact O-N 3.19Å; R280-R282 VanDerWaalsContact C-N 3.25Å; R280-R282 PolarHBondContact O-N 3.08Å; R282-L300 HydrophobicContact CB-CD2 4.01Å; R282-L300 HydrophobicContact CG-CD2 4.22Å |
| 283 | L | 91.3 | Very high | 91.4 | Very high | 98 Ų | 98 | 82.6 Ų | 82.6 | 51% | 0.513 | 40% | 0.399 | S | S | . | . | trans | -70.7 | 134.5 | 173.8 | -58.4 | 179.2 | 0 | 0 | 0 | 110.1 | I279 L291 M296 | I279-L283 HydrophobicContact CG2-CD2 4.48Å; L283-L291 HydrophobicContact CB-CD2 4.04Å; L283-L291 HydrophobicContact CD2-CD1 4.48Å; L283-L291 HydrophobicContact CD2-CD2 3.93Å; L283-L291 HydrophobicContact CG-CD2 4.42Å; L283-M296 HydrophobicContact CD2-CE 3.76Å | ||
| 284 | I | 90.9 | Very high | 91.4 | Very high | 54 Ų | 54 | 84.1 Ų | 84.1 | 28% | 0.277 | 41% | 0.405 | S | S | . | . | trans | -128 | 127.9 | 174.4 | -57.7 | 176.4 | 0 | 0 | 0 | 106.7 | L291 D292 K295 M296 K299 | I284-L291 WeakPolarHBondContact O-CA 3.37Å; I284-D292 HydrophobicContact CG2-CB 4.35Å; I284-D292 PolarHBondContact O-N 3.06Å; I284-K295 HydrophobicContact CD1-CB 4.24Å; I284-K295 HydrophobicContact CG2-CB 4.45Å; I284-M296 HydrophobicContact CB-CG 3.77Å; I284-M296 HydrophobicContact CD1-CG 4.24Å; I284-M296 HydrophobicContact CG1-CG 3.95Å; I284-K299 HydrophobicContact CD1-CB 4.26Å | ||
| 285 | L | 90.1 | Very high | 91.4 | Very high | 115 Ų | 115 | 89.1 Ų | 89.1 | 60% | 0.602 | 43% | 0.427 | S | S | * | . | B | Isolated β-bridge | trans | -94.1 | 145.4 | 175.8 | -61.6 | 172.2 | 0 | 0 | 0 | 109.8 | Q290 L291 | L285-Q290 CarbonylContact C-O 3.49Å; L285-Q290 WeakPolarHBondContact CA-O 3.47Å; L285-L291 HydrophobicContact CD2-CD2 4Å |
| 286 | S | 88.8 | Confident | 91.4 | Very high | 31 Ų | 31 | 86.3 Ų | 86.3 | 22% | 0.217 | 41% | 0.407 | C | S | . | . | trans | -81.3 | 168.4 | 166.8 | 70.9 | 0 | 0 | 0 | 0 | 110.2 | K288 G289 Q290 | S286-K288 PolarHBondContact O-N 2.9Å; S286-K288 PolarHBondContact OG-N 3.44Å; S286-G289 PolarHBondContact O-N 3.24Å; S286-Q290 PolarHBondContact N-O 3.5Å; S286-Q290 PolarHBondContact OG-N 3.3Å; S286-Q290 PolarHBondContact OG-O 3.31Å | ||
| 287 | D | 85.4 | Confident | 91.5 | Very high | 168 Ų | 168 | 82.4 Ų | 82.4 | 90% | 0.898 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -20.3 | 178.4 | -48.4 | -34.7 | 0 | 0 | 0 | 112.5 | G289 | D287-G289 VanDerWaalsContact C-N 3.33Š|
| 288 | K | 85.1 | Confident | 91.6 | Very high | 186 Ų | 186 | 76.5 Ų | 76.5 | 81% | 0.809 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | 9.3 | 175.6 | -56.9 | -175.8 | -178.1 | -179.1 | 0 | 113.5 | S286 Q290 | S286-K288 PolarHBondContact O-N 2.9Å; S286-K288 PolarHBondContact OG-N 3.44Å; K288-Q290 VanDerWaalsContact C-N 3.27Å; K288-Q290 PolarHBondContact O-N 2.89Å |
| 289 | G | 86.1 | Confident | 91.7 | Very high | 54 Ų | 54 | 79 Ų | 79 | 56% | 0.557 | 38% | 0.378 | S | S | * | . | S | Bend | trans | 72.5 | 11.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | S286 D287 | S286-G289 PolarHBondContact O-N 3.24Å; D287-G289 VanDerWaalsContact C-N 3.33Å |
| 290 | Q | 89.4 | Confident | 91.7 | Very high | 101 Ų | 101 | 78.8 Ų | 78.8 | 47% | 0.472 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -99.9 | 157.3 | 178.2 | -61.3 | -171.6 | -0 | 0 | 0 | 111.4 | L285 S286 K288 D292 | L285-Q290 CarbonylContact C-O 3.49Å; L285-Q290 WeakPolarHBondContact CA-O 3.47Å; S286-Q290 PolarHBondContact N-O 3.5Å; S286-Q290 PolarHBondContact OG-N 3.3Å; S286-Q290 PolarHBondContact OG-O 3.31Å; K288-Q290 VanDerWaalsContact C-N 3.27Å; K288-Q290 PolarHBondContact O-N 2.89Å; Q290-D292 PolarHBondContact O-N 2.93Å |
| 291 | L | 91.6 | Very high | 91.8 | Very high | 51 Ų | 51 | 72.3 Ų | 72.3 | 27% | 0.267 | 36% | 0.357 | S | S | . | . | B | Isolated β-bridge | trans | -63.9 | 125.6 | 174.9 | -68.8 | 173 | 0 | 0 | 0 | 112 | L283 I284 L285 W293 M296 | L283-L291 HydrophobicContact CB-CD2 4.04Å; L283-L291 HydrophobicContact CD2-CD1 4.48Å; L283-L291 HydrophobicContact CD2-CD2 3.93Å; L283-L291 HydrophobicContact CG-CD2 4.42Å; I284-L291 WeakPolarHBondContact O-CA 3.37Å; L285-L291 HydrophobicContact CD2-CD2 4Å; L291-W293 HydrophobicContact CB-CZ2 4.37Å; L291-W293 HydrophobicContact CD1-CH2 4.21Å; L291-W293 HydrophobicContact CD1-CZ2 3.66Å; L291-W293 VanDerWaalsContact O-CD1 3.32Å; L291-W293 PolarHBondContact O-N 3.17Å; L291-M296 HydrophobicContact CB-SD 4.24Å; L291-M296 HydrophobicContact CD2-SD 4.06Å |
| 292 | D | 94.7 | Very high | 91.8 | Very high | 29 Ų | 29 | 76.3 Ų | 76.3 | 16% | 0.155 | 37% | 0.369 | C | S | . | . | trans | -87.6 | 80.4 | 175.1 | -169.7 | -28.5 | 0 | 0 | 0 | 109.9 | I284 Q290 K294 K295 M296 | I284-D292 HydrophobicContact CG2-CB 4.35Å; I284-D292 PolarHBondContact O-N 3.06Å; Q290-D292 PolarHBondContact O-N 2.93Å; D292-K294 PolarHBondContact O-N 3.45Å; D292-K294 PolarHBondContact OD1-N 3.2Å; D292-K295 HydrophobicContact CB-CB 4.29Å; D292-K295 PolarHBondContact O-N 3.24Å; D292-K295 PolarHBondContact OD1-N 3.38Å; D292-K295 WeakPolarHBondContact OD2-CD 3.5Å; D292-K295 WeakPolarHBondContact OD2-CE 3.48Å; D292-K295 VanDerWaalsContact OD2-CG 3.29Å; D292-K295 WeakPolarHBondContact OD2-CG 3.37Å; D292-K295 IonicContact OD2-NZ 2.83Å; D292-K295 PolarHBondContact OD2-NZ 3.41Å; D292-M296 WeakPolarHBondContact O-CB 3.31Å; D292-M296 WeakPolarHBondContact O-CG 3.26Å; D292-M296 PolarHBondContact O-N 3.35Å | ||
| 293 | W | 95.6 | Very high | 91.9 | Very high | 21 Ų | 21 | 73.4 Ų | 73.4 | 8% | 0.08 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59 | -31.5 | -176.6 | -67.4 | 96.3 | 0 | 0 | 0 | 113.4 | R263 W266 K267 C270 I279 L291 M296 Y297 | R263-W293 VanDerWaalsContact CG-CD1 3.45Å; W266-W293 HydrophobicContact CB-CB 3.54Å; K267-W293 HydrophobicContact CB-CD2 3.65Å; K267-W293 HydrophobicContact CB-CE3 4.08Å; K267-W293 HydrophobicContact CB-CG 3.9Å; K267-W293 HydrophobicContact CB-CZ2 4.31Å; K267-W293 HydrophobicContact CD-CH2 4.31Å; K267-W293 HydrophobicContact CD-CZ2 3.77Å; K267-W293 HydrophobicContact CG-CD2 3.92Å; K267-W293 HydrophobicContact CG-CE3 4.09Å; K267-W293 HydrophobicContact CG-CH2 3.89Å; K267-W293 HydrophobicContact CG-CZ2 3.7Å; K267-W293 HydrophobicContact CG-CZ3 4.08Å; C270-W293 HydrophobicContact CB-CE3 4.02Å; C270-W293 HydrophobicContact CB-CZ3 4.24Å; I279-W293 HydrophobicContact CG2-CH2 4.25Å; I279-W293 HydrophobicContact CG2-CZ3 3.85Å; L291-W293 HydrophobicContact CB-CZ2 4.37Å; L291-W293 HydrophobicContact CD1-CH2 4.21Å; L291-W293 HydrophobicContact CD1-CZ2 3.66Å; L291-W293 VanDerWaalsContact O-CD1 3.32Å; L291-W293 PolarHBondContact O-N 3.17Å; W293-M296 HydrophobicContact CE3-CE 4.32Å; W293-M296 HydrophobicContact CZ3-CE 4.2Å; W293-Y297 WeakPolarHBondContact O-CB 3.36Å; W293-Y297 PolarHBondContact O-N 2.8Å |
| 294 | K | 95.4 | Very high | 91.9 | Very high | 50 Ų | 50 | 71.1 Ų | 71.1 | 22% | 0.217 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68.6 | -50.7 | 178.7 | -176.1 | 177 | -173.3 | -175.4 | 0 | 111.1 | E261 W266 D292 M296 Y297 F298 | E261-K294 IonicContact OE1-NZ 2.8Å; E261-K294 PolarHBondContact OE1-NZ 3.27Å; E261-K294 WeakPolarHBondContact OE2-CD 3.42Å; E261-K294 IonicContact OE2-NZ 3.68Å; E261-K294 PolarHBondContact OE2-NZ 3.45Å; W266-K294 HydrophobicContact CD2-CB 3.77Å; W266-K294 HydrophobicContact CD2-CG 3.85Å; W266-K294 HydrophobicContact CE3-CB 4.22Å; W266-K294 HydrophobicContact CE3-CG 4.12Å; W266-K294 HydrophobicContact CG-CB 3.9Å; W266-K294 HydrophobicContact CG-CG 4.46Å; W266-K294 HydrophobicContact CH2-CG 3.99Å; W266-K294 HydrophobicContact CZ2-CD 3.87Å; W266-K294 HydrophobicContact CZ2-CG 3.73Å; W266-K294 HydrophobicContact CZ3-CG 4.17Å; D292-K294 PolarHBondContact O-N 3.45Å; D292-K294 PolarHBondContact OD1-N 3.2Å; K294-M296 VanDerWaalsContact C-N 3.31Å; K294-M296 PolarHBondContact O-N 2.92Å; K294-Y297 PolarHBondContact O-N 2.71Å; K294-F298 HydrophobicContact CG-CD2 4.48Å; K294-F298 HydrophobicContact CG-CE2 4.22Å; K294-F298 VanDerWaalsContact O-CD2 3.29Å; K294-F298 WeakPolarHBondContact O-CD2 3.3Å; K294-F298 PolarHBondContact O-N 3Å |
| 295 | K | 94.8 | Very high | 91.7 | Very high | 112 Ų | 112 | 73.8 Ų | 73.8 | 49% | 0.487 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.9 | -40.1 | 174.4 | -71.1 | -174.5 | -166.9 | 130.4 | 0 | 111.5 | I284 D292 Y297 F298 K299 | I284-K295 HydrophobicContact CD1-CB 4.24Å; I284-K295 HydrophobicContact CG2-CB 4.45Å; D292-K295 HydrophobicContact CB-CB 4.29Å; D292-K295 PolarHBondContact O-N 3.24Å; D292-K295 PolarHBondContact OD1-N 3.38Å; D292-K295 WeakPolarHBondContact OD2-CD 3.5Å; D292-K295 WeakPolarHBondContact OD2-CE 3.48Å; D292-K295 VanDerWaalsContact OD2-CG 3.29Å; D292-K295 WeakPolarHBondContact OD2-CG 3.37Å; D292-K295 IonicContact OD2-NZ 2.83Å; D292-K295 PolarHBondContact OD2-NZ 3.41Å; K295-Y297 PolarHBondContact O-N 3.43Å; K295-F298 PolarHBondContact O-N 3.27Å; K295-K299 PolarHBondContact O-N 3.49Å |
| 296 | M | 95.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.1 | -46.6 | 176 | -72.8 | 174.5 | 61.1 | 0 | 0 | 111.6 | I279 L283 I284 L291 D292 W293 K294 F298 K299 L300 | I279-M296 HydrophobicContact CG2-CE 3.68Å; L283-M296 HydrophobicContact CD2-CE 3.76Å; I284-M296 HydrophobicContact CB-CG 3.77Å; I284-M296 HydrophobicContact CD1-CG 4.24Å; I284-M296 HydrophobicContact CG1-CG 3.95Å; L291-M296 HydrophobicContact CB-SD 4.24Å; L291-M296 HydrophobicContact CD2-SD 4.06Å; D292-M296 WeakPolarHBondContact O-CB 3.31Å; D292-M296 WeakPolarHBondContact O-CG 3.26Å; D292-M296 PolarHBondContact O-N 3.35Å; W293-M296 HydrophobicContact CE3-CE 4.32Å; W293-M296 HydrophobicContact CZ3-CE 4.2Å; K294-M296 VanDerWaalsContact C-N 3.31Å; K294-M296 PolarHBondContact O-N 2.92Å; M296-F298 PolarHBondContact O-N 3.34Å; M296-K299 PolarHBondContact O-N 3.03Å; M296-K299 VanDerWaalsContact O-N 3.17Å; M296-L300 WeakPolarHBondContact O-CB 3.47Å; M296-L300 VanDerWaalsContact O-CG 3.27Å; M296-L300 WeakPolarHBondContact O-CG 3.35Å; M296-L300 PolarHBondContact O-N 3.17Å |
| 297 | Y | 95.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 75.6 Ų | 75.6 | 0% | 0.004 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -53.3 | -54.1 | 177.7 | 174.2 | -98.6 | 0 | 0 | 0 | 111.4 | G243 W266 L269 H273 F274 W293 K294 K295 K299 L300 V301 | G243-Y297 PolarHBondContact N-OH 2.88Å; W266-Y297 HydrophobicContact CE3-CD1 4.23Å; W266-Y297 HydrophobicContact CE3-CG 4.15Å; W266-Y297 AromaticContact CZ3-CD1 3.68Å; W266-Y297 HydrophobicContact CZ3-CD1 3.68Å; W266-Y297 HydrophobicContact CZ3-CE1 4.28Å; W266-Y297 HydrophobicContact CZ3-CG 4.07Å; L269-Y297 HydrophobicContact CD1-CE2 4.34Å; L269-Y297 HydrophobicContact CD2-CD1 4.42Å; L269-Y297 HydrophobicContact CD2-CD2 3.82Å; L269-Y297 HydrophobicContact CD2-CE1 4.21Å; L269-Y297 HydrophobicContact CD2-CE2 3.58Å; L269-Y297 HydrophobicContact CD2-CG 4.24Å; L269-Y297 HydrophobicContact CG-CD2 3.86Å; L269-Y297 HydrophobicContact CG-CE2 3.61Å; H273-Y297 AromaticContact CD2-CE2 3.8Å; F274-Y297 HydrophobicContact CE2-CD2 4.13Å; F274-Y297 HydrophobicContact CE2-CE2 4.38Å; W293-Y297 WeakPolarHBondContact O-CB 3.36Å; W293-Y297 PolarHBondContact O-N 2.8Å; K294-Y297 PolarHBondContact O-N 2.71Å; K295-Y297 PolarHBondContact O-N 3.43Å; Y297-K299 VanDerWaalsContact C-N 3.28Å; Y297-K299 PolarHBondContact O-N 3.49Å; Y297-L300 PolarHBondContact O-N 3.28Å; Y297-L300 VanDerWaalsContact O-N 3.16Å; Y297-V301 HydrophobicContact CD1-CG2 4.23Å; Y297-V301 HydrophobicContact CD2-CG2 4.2Å; Y297-V301 HydrophobicContact CE1-CG2 3.81Å; Y297-V301 HydrophobicContact CE2-CG2 3.76Å; Y297-V301 HydrophobicContact CG-CG2 4.42Å; Y297-V301 WeakPolarHBondContact O-CG2 3.43Å; Y297-V301 PolarHBondContact O-N 2.99Å |
| 298 | F | 95.4 | Very high | 91.6 | Very high | 62 Ų | 62 | 71.2 Ų | 71.2 | 27% | 0.272 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.6 | -30.4 | -178.7 | -72.9 | -65.9 | 0 | 0 | 0 | 113.2 | R244 V247 W266 K294 K295 M296 R302 | R244-F298 HydrophobicContact CG-CE1 3.79Å; R244-F298 HydrophobicContact CG-CZ 4.44Å; V247-F298 HydrophobicContact CG2-CE2 4.29Å; V247-F298 HydrophobicContact CG2-CZ 4.01Å; W266-F298 AromaticContact CH2-CE2 3.93Å; W266-F298 HydrophobicContact CH2-CE2 3.93Å; W266-F298 HydrophobicContact CH2-CZ 4.13Å; W266-F298 HydrophobicContact CZ3-CE2 4.04Å; W266-F298 HydrophobicContact CZ3-CZ 4.32Å; K294-F298 HydrophobicContact CG-CD2 4.48Å; K294-F298 HydrophobicContact CG-CE2 4.22Å; K294-F298 VanDerWaalsContact O-CD2 3.29Å; K294-F298 WeakPolarHBondContact O-CD2 3.3Å; K294-F298 PolarHBondContact O-N 3Å; K295-F298 PolarHBondContact O-N 3.27Å; M296-F298 PolarHBondContact O-N 3.34Å; F298-R302 WeakPolarHBondContact O-CG 3.48Å |
| 299 | K | 94.3 | Very high | 91.7 | Very high | 101 Ų | 101 | 67.7 Ų | 67.7 | 44% | 0.439 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -70.4 | -43.2 | 172.9 | -169 | 68.6 | 173.8 | -171 | 0 | 111.5 | I284 K295 M296 Y297 R302 C303 | I284-K299 HydrophobicContact CD1-CB 4.26Å; K295-K299 PolarHBondContact O-N 3.49Å; M296-K299 PolarHBondContact O-N 3.03Å; M296-K299 VanDerWaalsContact O-N 3.17Å; Y297-K299 VanDerWaalsContact C-N 3.28Å; Y297-K299 PolarHBondContact O-N 3.49Å; K299-R302 PolarHBondContact O-N 3.4Å; K299-C303 PolarHBondContact O-N 3.29Å; K299-C303 PolarHBondContact O-SG 2.97Å |
| 300 | L | 94.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.6 | -42.5 | 179.9 | -72.3 | 168.6 | 0 | 0 | 0 | 111.9 | F274 I279 R282 M296 Y297 R302 C303 Y304 | F274-L300 HydrophobicContact CD1-CB 4.33Å; F274-L300 HydrophobicContact CD2-CB 3.74Å; F274-L300 HydrophobicContact CD2-CD1 3.65Å; F274-L300 HydrophobicContact CD2-CG 4.27Å; F274-L300 HydrophobicContact CE1-CB 4.08Å; F274-L300 HydrophobicContact CE2-CB 3.43Å; F274-L300 VanDerWaalsContact CE2-CB 3.43Å; F274-L300 HydrophobicContact CE2-CD1 4.11Å; F274-L300 HydrophobicContact CE2-CG 4.4Å; F274-L300 HydrophobicContact CG-CB 4.18Å; F274-L300 HydrophobicContact CG-CD1 4.19Å; F274-L300 HydrophobicContact CZ-CB 3.62Å; I279-L300 HydrophobicContact CG1-CD1 4.05Å; R282-L300 HydrophobicContact CB-CD2 4.01Å; R282-L300 HydrophobicContact CG-CD2 4.22Å; M296-L300 WeakPolarHBondContact O-CB 3.47Å; M296-L300 VanDerWaalsContact O-CG 3.27Å; M296-L300 WeakPolarHBondContact O-CG 3.35Å; M296-L300 PolarHBondContact O-N 3.17Å; Y297-L300 PolarHBondContact O-N 3.28Å; Y297-L300 VanDerWaalsContact O-N 3.16Å; L300-R302 PolarHBondContact O-N 3.31Å; L300-C303 PolarHBondContact O-N 3.17Å; L300-Y304 HydrophobicContact CD2-CD2 3.78Å; L300-Y304 HydrophobicContact CD2-CE2 3.7Å; L300-Y304 PolarHBondContact O-N 2.89Å |
| 301 | V | 93.5 | Very high | 91.8 | Very high | 41 Ų | 41 | 65 Ų | 65 | 25% | 0.248 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.3 | -30.9 | 176.4 | 170.9 | 0 | 0 | 0 | 0 | 112.4 | F274 Y297 R306 | F274-V301 HydrophobicContact CE2-CG2 4.27Å; F274-V301 HydrophobicContact CZ-CB 4.45Å; F274-V301 HydrophobicContact CZ-CG2 3.75Å; Y297-V301 HydrophobicContact CD1-CG2 4.23Å; Y297-V301 HydrophobicContact CD2-CG2 4.2Å; Y297-V301 HydrophobicContact CE1-CG2 3.81Å; Y297-V301 HydrophobicContact CE2-CG2 3.76Å; Y297-V301 HydrophobicContact CG-CG2 4.42Å; Y297-V301 WeakPolarHBondContact O-CG2 3.43Å; Y297-V301 PolarHBondContact O-N 2.99Å; V301-R306 HydrophobicContact CG1-CG 4.23Å; V301-R306 HydrophobicContact CG2-CG 4.12Å |
| 302 | R | 91.4 | Very high | 91.9 | Very high | 209 Ų | 209 | 63.3 Ų | 63.3 | 79% | 0.789 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -76.8 | -23.8 | 175.8 | -68.3 | 176.6 | -175.2 | 177.7 | 3.4 | 113.1 | F298 K299 L300 | F298-R302 WeakPolarHBondContact O-CG 3.48Å; K299-R302 PolarHBondContact O-N 3.4Å; L300-R302 PolarHBondContact O-N 3.31Å |
| 303 | C | 90.5 | Very high | 91.8 | Very high | 58 Ų | 58 | 62.8 Ų | 62.8 | 39% | 0.392 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -100.4 | -26.6 | -174.9 | -66.3 | 0 | 0 | 0 | 0 | 113.4 | K299 L300 | K299-C303 PolarHBondContact O-N 3.29Å; K299-C303 PolarHBondContact O-SG 2.97Å; L300-C303 PolarHBondContact O-N 3.17Å |
| 304 | Y | 91.3 | Very high | 91.8 | Very high | 49 Ų | 49 | 61.8 Ų | 61.8 | 19% | 0.192 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -133.6 | 144.2 | -172.4 | -58.3 | -64.9 | 0 | 0 | 0 | 110.7 | Q278 L300 | Q278-Y304 HydrophobicContact CB-CD2 4.06Å; Q278-Y304 HydrophobicContact CB-CE2 3.81Å; Q278-Y304 HydrophobicContact CG-CD1 4.11Å; Q278-Y304 HydrophobicContact CG-CD2 4.14Å; Q278-Y304 HydrophobicContact CG-CE1 3.97Å; Q278-Y304 HydrophobicContact CG-CE2 3.99Å; Q278-Y304 HydrophobicContact CG-CG 4.21Å; L300-Y304 HydrophobicContact CD2-CD2 3.78Å; L300-Y304 HydrophobicContact CD2-CE2 3.7Å; L300-Y304 PolarHBondContact O-N 2.89Å |
| 305 | P | 86.9 | Confident | 91.7 | Very high | 110 Ų | 110 | 61.1 Ų | 61.1 | 71% | 0.714 | 30% | 0.298 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 141.5 | 172.4 | 28.3 | -33.9 | 0 | 0 | 0 | 109.7 | ||
| 306 | R | 88 | Confident | 91.6 | Very high | 76 Ų | 76 | 57.1 Ų | 57.1 | 29% | 0.287 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -74.3 | 150 | 174.2 | -66.7 | -176.5 | -67.3 | 179 | -0.1 | 109.7 | D242 V301 E308 | D242-R306 IonicContact OD1-NH1 3.41Å; D242-R306 PolarHBondContact OD1-NH1 3.37Å; D242-R306 IonicContact OD2-CZ 3.28Å; D242-R306 IonicContact OD2-NH1 3.81Å; D242-R306 PolarHBondContact OD2-NH1 3.05Å; V301-R306 HydrophobicContact CG1-CG 4.23Å; V301-R306 HydrophobicContact CG2-CG 4.12Å; R306-E308 PolarHBondContact O-N 3.47Å |
| 307 | K | 88.6 | Confident | 91.4 | Very high | 109 Ų | 109 | 57.1 Ų | 57.1 | 47% | 0.474 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 121.6 | 165.5 | -170.8 | 177.6 | -173.4 | -176.7 | 0 | 110 | Y272 H273 | Y272-K307 HydrophobicContact CE2-CD 4.27Å; Y272-K307 WeakPolarHBondContact O-CD 3.44Å; H273-K307 PolarHBondContact ND1-N 2.94Å |
| 308 | E | 86.3 | Confident | 91.1 | Very high | 75 Ų | 75 | 63.8 Ų | 63.8 | 35% | 0.35 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -95.8 | 134.1 | 175.7 | -67.2 | 177.5 | 177.9 | 0 | 0 | 109.4 | R124 R306 Y310 | R124-E308 IonicContact CZ-OE1 3.52Å; R124-E308 IonicContact NE-OE1 3.13Å; R124-E308 PolarHBondContact NE-OE1 3.35Å; R124-E308 IonicContact NE-OE2 4Å; R124-E308 IonicContact NH2-OE1 3.52Å; R124-E308 PolarHBondContact NH2-OE1 3.26Å; R306-E308 PolarHBondContact O-N 3.47Å; E308-Y310 HydrophobicContact CB-CE2 3.92Å; E308-Y310 PolarHBondContact OE2-OH 2.94Å; E308-Y310 VanDerWaalsContact OE2-OH 3.04Å |
| 309 | Q | 85.4 | Confident | 90.6 | Very high | 112 Ų | 112 | 65.3 Ų | 65.3 | 52% | 0.523 | 32% | 0.319 | S | S | . | . | trans | -138 | 139.9 | 172.6 | -66.6 | -171 | 15.4 | 0 | 0 | 109.1 | Y272 | Y272-Q309 PolarHBondContact OH-NE2 3Å; Y272-Q309 PolarHBondContact OH-OE1 3.27Å | ||
| 310 | Y | 91.1 | Very high | 90.3 | Very high | 47 Ų | 47 | 61.7 Ų | 61.7 | 18% | 0.184 | 31% | 0.305 | C | S | . | . | trans | -128.1 | 146.3 | -178.5 | -55.5 | -72.9 | 0 | 0 | 0 | 108.8 | N120 Y121 R124 E308 T313 P346 | N120-Y310 HydrophobicContact CB-CD1 4.11Å; N120-Y310 HydrophobicContact CB-CE1 4.4Å; N120-Y310 WeakPolarHBondContact O-CE1 3.33Å; Y121-Y310 VanDerWaalsContact CA-CD1 3.49Å; Y121-Y310 HydrophobicContact CD2-CD1 4.38Å; Y121-Y310 AromaticContact CD2-CD2 3.92Å; Y121-Y310 HydrophobicContact CD2-CD2 3.92Å; Y121-Y310 HydrophobicContact CD2-CE2 4.4Å; Y121-Y310 AromaticContact CD2-CG 3.93Å; Y121-Y310 HydrophobicContact CD2-CG 3.93Å; R124-Y310 HydrophobicContact CB-CE1 4.14Å; R124-Y310 VanDerWaalsContact CG-OH 3.26Å; R124-Y310 WeakPolarHBondContact CG-OH 3.36Å; E308-Y310 HydrophobicContact CB-CE2 3.92Å; E308-Y310 PolarHBondContact OE2-OH 2.94Å; E308-Y310 VanDerWaalsContact OE2-OH 3.04Å; Y310-T313 HydrophobicContact CD2-CG2 4.2Å; Y310-T313 HydrophobicContact CG-CG2 4.4Å; Y310-P346 HydrophobicContact CE1-CG 4.47Å; Y310-P346 VanDerWaalsContact CE2-CD 3.42Å; Y310-P346 HydrophobicContact CE2-CG 3.87Å | ||
| 311 | G | 88.1 | Confident | 89.9 | Confident | 52 Ų | 52 | 66 Ų | 66 | 54% | 0.536 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -63.7 | -56.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | R117 | R117-G311 WeakPolarHBondContact O-CA 3.5Å; R117-G311 PolarHBondContact O-N 2.99Å |
| 312 | D | 92.5 | Very high | 89.7 | Confident | 16 Ų | 16 | 64 Ų | 64 | 9% | 0.086 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -124.1 | 148.5 | 172.4 | -74.6 | -31.9 | 0 | 0 | 0 | 111 | R117 R118 | R117-D312 HydrophobicContact CB-CB 4.12Å; R117-D312 VanDerWaalsContact CD-OD2 3.31Å; R117-D312 WeakPolarHBondContact CD-OD2 3.42Å; R117-D312 PolarHBondContact O-N 3.45Å; R118-D312 HydrophobicContact CG-CB 3.76Å |
| 313 | T | 93.8 | Very high | 89.7 | Confident | 18 Ų | 18 | 54.1 Ų | 54.1 | 11% | 0.11 | 28% | 0.276 | C | S | . | . | trans | -131.6 | 164.3 | -174.8 | 49.7 | 0 | 0 | 0 | 0 | 110.1 | Y121 Y310 K326 S343 | Y121-T313 HydrophobicContact CD2-CG2 3.92Å; Y121-T313 HydrophobicContact CE2-CG2 4.11Å; Y310-T313 HydrophobicContact CD2-CG2 4.2Å; Y310-T313 HydrophobicContact CG-CG2 4.4Å; T313-K326 WeakPolarHBondContact O-CB 3.26Å; T313-K326 PolarHBondContact O-N 3.08Å; T313-S343 WeakPolarHBondContact OG1-CB 3.24Å; T313-S343 PolarHBondContact OG1-OG 3.49Å | ||
| 314 | L | 94.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 142.1 | 165.3 | -71.9 | 172.2 | 0 | 0 | 0 | 109.6 | L107 F109 Y121 L323 S324 W325 L344 F349 | L107-L314 HydrophobicContact CD1-CD1 4.15Å; L107-L314 HydrophobicContact CD1-CD2 4.26Å; F109-L314 HydrophobicContact CE1-CD1 4.02Å; F109-L314 HydrophobicContact CZ-CD1 3.82Å; Y121-L314 HydrophobicContact CE1-CD1 3.96Å; Y121-L314 HydrophobicContact CE1-CG 4.09Å; L314-L323 HydrophobicContact CB-CD1 3.94Å; L314-S324 CarbonylContact C-O 3.51Å; L314-S324 WeakPolarHBondContact CA-O 3.45Å; L314-W325 HydrophobicContact CD2-CD2 3.59Å; L314-W325 HydrophobicContact CD2-CE3 3.89Å; L314-W325 HydrophobicContact CD2-CG 3.94Å; L314-W325 HydrophobicContact CD2-CH2 4.46Å; L314-W325 HydrophobicContact CD2-CZ2 4.19Å; L314-W325 HydrophobicContact CD2-CZ3 4.31Å; L314-W325 HydrophobicContact CG-CD2 4.3Å; L314-W325 HydrophobicContact CG-CE3 4.11Å; L314-W325 HydrophobicContact CG-CH2 4.31Å; L314-W325 HydrophobicContact CG-CZ2 4.47Å; L314-W325 HydrophobicContact CG-CZ3 4.12Å; L314-L344 PolarHBondContact O-N 3.37Å; L314-F349 HydrophobicContact CD1-CD2 3.73Å; L314-F349 HydrophobicContact CD1-CE2 4.03Å; L314-F349 HydrophobicContact CD1-CG 4.1Å |
| 315 | Q | 93.5 | Very high | 89.9 | Confident | 35 Ų | 35 | 49.4 Ų | 49.4 | 16% | 0.164 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 130.9 | 177.9 | -65.6 | -172.5 | -42.3 | 0 | 0 | 109.9 | L323 S324 K326 V342 | Q315-L323 WeakPolarHBondContact O-CA 3.48Å; Q315-L323 WeakPolarHBondContact O-CD1 3.26Å; Q315-S324 PolarHBondContact N-O 2.98Å; Q315-S324 PolarHBondContact O-N 3.08Å; Q315-K326 HydrophobicContact CG-CB 4.11Å; Q315-V342 WeakPolarHBondContact CA-O 3.4Å |
| 316 | L | 92.4 | Very high | 90 | Very high | 28 Ų | 28 | 48.6 Ų | 48.6 | 15% | 0.147 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 119.9 | 169.9 | 178.2 | 67.3 | 0 | 0 | 0 | 108.9 | V86 K318 I322 L323 S341 V342 L344 L352 | V86-L316 HydrophobicContact CB-CD1 4.45Å; L316-K318 PolarHBondContact O-N 2.91Å; L316-I322 WeakPolarHBondContact CA-O 3.47Å; L316-L323 HydrophobicContact CB-CD1 4.35Å; L316-L323 HydrophobicContact CD1-CB 4.47Å; L316-S341 WeakPolarHBondContact O-CA 3.23Å; L316-V342 PolarHBondContact N-O 3.07Å; L316-V342 PolarHBondContact O-N 2.96Å; L316-L344 HydrophobicContact CB-CD1 4.08Å; L316-L344 HydrophobicContact CB-CD2 4.33Å; L316-L344 HydrophobicContact CB-CG 4.34Å; L316-L352 HydrophobicContact CD2-CD1 4.2Å; L316-L352 HydrophobicContact CD2-CD2 4.02Å |
| 317 | C | 91.3 | Very high | 89.8 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.007 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 119.6 | 169 | -172.5 | 0 | 0 | 0 | 0 | 109.7 | H319 C320 H321 I322 H330 | C317-H319 PolarHBondContact O-N 3.37Å; C317-C320 VanDerWaalsContact CB-SG 3.51Å; C317-C320 PolarHBondContact SG-SG 2.78Å; C317-H321 WeakPolarHBondContact O-CA 3.43Å; C317-H321 PolarHBondContact O-N 3.49Å; C317-I322 PolarHBondContact N-O 3.34Å; C317-H330 WeakPolarHBondContact CB-NE2 3.48Å |
| 318 | K | 88.8 | Confident | 89.6 | Confident | 141 Ų | 141 | 44.8 Ų | 44.8 | 61% | 0.613 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -17.3 | 178 | -70.8 | 177 | 169.5 | 169.4 | 0 | 113.5 | L316 C340 V342 | L316-K318 PolarHBondContact O-N 2.91Å; K318-C340 WeakPolarHBondContact CB-O 3.18Å; K318-C340 PolarHBondContact N-O 2.94Å; K318-V342 HydrophobicContact CD-CG2 3.97Å; K318-V342 HydrophobicContact CG-CG2 4.38Å |
| 319 | H | 87 | Confident | 89.4 | Confident | 94 Ų | 94 | 48.4 Ų | 48.4 | 44% | 0.435 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -56.1 | -177.9 | -177 | -87.6 | 0 | 0 | 0 | 112.1 | C317 T333 A334 C340 | C317-H319 PolarHBondContact O-N 3.37Å; H319-T333 PolarHBondContact CE1-OG1 3.45Å; H319-T333 VanDerWaalsContact CE1-OG1 3.26Å; H319-A334 HydrophobicContact CB-CB 4.28Å; H319-C340 HydrophobicContact CB-CB 4.19Å |
| 320 | C | 86 | Confident | 89.2 | Confident | 24 Ų | 24 | 44.7 Ų | 44.7 | 16% | 0.162 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -1.2 | -177.8 | 57.7 | 0 | 0 | 0 | 0 | 114 | C317 I322 H330 | C317-C320 VanDerWaalsContact CB-SG 3.51Å; C317-C320 PolarHBondContact SG-SG 2.78Å; C320-I322 HydrophobicContact CB-CD1 4.11Å; C320-I322 HydrophobicContact CB-CG1 4.13Å; C320-I322 PolarHBondContact O-N 2.87Å; C320-H330 PolarHBondContact SG-CD2 3.29Å |
| 321 | H | 88 | Confident | 88.8 | Confident | 91 Ų | 91 | 46 Ų | 46 | 42% | 0.421 | 26% | 0.262 | S | S | . | . | trans | 56.6 | 30 | -176.3 | -58.8 | -72.7 | 0 | 0 | 0 | 114.2 | V86 C317 | V86-H321 PolarHBondContact N-O 3.47Å; V86-H321 WeakPolarHBondContact O-CB 3.44Å; C317-H321 WeakPolarHBondContact O-CA 3.43Å; C317-H321 PolarHBondContact O-N 3.49Å | ||
| 322 | I | 89.4 | Confident | 88.6 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 133.1 | 176.1 | -66.8 | 176.3 | 0 | 0 | 0 | 109.8 | W83 I84 Y85 L316 C317 C320 H330 P331 | W83-I322 HydrophobicContact CB-CG2 3.54Å; W83-I322 HydrophobicContact CD2-CG2 4.17Å; W83-I322 HydrophobicContact CE3-CD1 4.14Å; W83-I322 HydrophobicContact CE3-CG1 4.43Å; W83-I322 HydrophobicContact CE3-CG2 4Å; W83-I322 HydrophobicContact CG-CG2 4.01Å; W83-I322 HydrophobicContact CZ3-CD1 4.37Å; I84-I322 CarbonylContact O-C 3.55Å; I84-I322 WeakPolarHBondContact O-CA 3.42Å; Y85-I322 HydrophobicContact CD1-CD1 4.17Å; Y85-I322 HydrophobicContact CD1-CG1 3.53Å; Y85-I322 HydrophobicContact CE1-CD1 3.49Å; Y85-I322 VanDerWaalsContact CE1-CD1 3.49Å; Y85-I322 HydrophobicContact CE1-CG1 3.37Å; Y85-I322 HydrophobicContact CG-CG1 4.32Å; L316-I322 WeakPolarHBondContact CA-O 3.47Å; C317-I322 PolarHBondContact N-O 3.34Å; C320-I322 HydrophobicContact CB-CD1 4.11Å; C320-I322 HydrophobicContact CB-CG1 4.13Å; C320-I322 PolarHBondContact O-N 2.87Å; I322-H330 HydrophobicContact CD1-CB 4.22Å; I322-H330 HydrophobicContact CG2-CB 3.85Å; I322-P331 HydrophobicContact CD1-CG 4.05Å |
| 323 | L | 91.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 126.9 | 172.2 | -178.7 | 66.5 | 0 | 0 | 0 | 109.6 | W83 I84 V86 L107 L314 Q315 L316 L344 F349 | W83-L323 CarbonylContact C-O 3.55Å; W83-L323 VanDerWaalsContact CA-O 3.27Å; W83-L323 WeakPolarHBondContact CA-O 3.5Å; I84-L323 HydrophobicContact CD1-CD2 4.24Å; I84-L323 HydrophobicContact CG1-CB 3.89Å; I84-L323 HydrophobicContact CG1-CD2 4.37Å; I84-L323 HydrophobicContact CG1-CG 4.48Å; I84-L323 PolarHBondContact N-O 3.49Å; I84-L323 PolarHBondContact O-N 3.46Å; V86-L323 HydrophobicContact CG2-CB 3.59Å; V86-L323 HydrophobicContact CG2-CD2 4.09Å; V86-L323 HydrophobicContact CG2-CG 4.48Å; L107-L323 HydrophobicContact CD1-CD2 3.69Å; L107-L323 HydrophobicContact CD1-CG 4.16Å; L314-L323 HydrophobicContact CB-CD1 3.94Å; Q315-L323 WeakPolarHBondContact O-CA 3.48Å; Q315-L323 WeakPolarHBondContact O-CD1 3.26Å; L316-L323 HydrophobicContact CB-CD1 4.35Å; L316-L323 HydrophobicContact CD1-CB 4.47Å; L323-L344 HydrophobicContact CD1-CD1 3.53Å; L323-F349 HydrophobicContact CD2-CD2 3.62Å; L323-F349 HydrophobicContact CD2-CE2 3.45Å; L323-F349 VanDerWaalsContact CD2-CE2 3.45Å |
| 324 | S | 92 | Very high | 87.6 | Confident | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.014 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 165 | -174.8 | 72.7 | 0 | 0 | 0 | 0 | 111 | L314 Q315 T328 | L314-S324 CarbonylContact C-O 3.51Å; L314-S324 WeakPolarHBondContact CA-O 3.45Å; Q315-S324 PolarHBondContact N-O 2.98Å; Q315-S324 PolarHBondContact O-N 3.08Å; S324-T328 WeakPolarHBondContact CB-OG1 3.4Å; S324-T328 PolarHBondContact OG-OG1 3.36Å |
| 325 | W | 92.1 | Very high | 86.7 | Confident | 7 Ų | 7 | 58.2 Ų | 58.2 | 3% | 0.027 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 147 | 172.6 | -73.5 | 104.8 | 0 | 0 | 0 | 110.4 | F109 A112 R118 Y121 V122 L314 G327 T328 | F109-W325 HydrophobicContact CD1-CH2 4.21Å; F109-W325 AromaticContact CD1-CZ2 3.63Å; F109-W325 HydrophobicContact CD1-CZ2 3.63Å; F109-W325 HydrophobicContact CE1-CH2 4.08Å; F109-W325 AromaticContact CE1-CZ2 3.69Å; F109-W325 HydrophobicContact CE1-CZ2 3.69Å; A112-W325 HydrophobicContact CB-CH2 4.11Å; A112-W325 HydrophobicContact CB-CZ2 3.44Å; A112-W325 VanDerWaalsContact CB-CZ2 3.44Å; R118-W325 HydrophobicContact CB-CH2 4.28Å; R118-W325 HydrophobicContact CB-CZ3 4.07Å; R118-W325 HydrophobicContact CG-CE3 3.95Å; R118-W325 HydrophobicContact CG-CZ3 3.95Å; Y121-W325 AromaticContact CD1-CH2 3.64Å; Y121-W325 HydrophobicContact CD1-CH2 3.64Å; Y121-W325 AromaticContact CD1-CZ3 3.86Å; Y121-W325 HydrophobicContact CD1-CZ3 3.86Å; Y121-W325 HydrophobicContact CE1-CH2 4.09Å; Y121-W325 HydrophobicContact CE1-CZ3 4.29Å; Y121-W325 HydrophobicContact CG-CH2 4.41Å; Y121-W325 HydrophobicContact CG-CZ3 4.27Å; V122-W325 HydrophobicContact CG2-CH2 3.87Å; V122-W325 HydrophobicContact CG2-CZ2 4.2Å; L314-W325 HydrophobicContact CD2-CD2 3.59Å; L314-W325 HydrophobicContact CD2-CE3 3.89Å; L314-W325 HydrophobicContact CD2-CG 3.94Å; L314-W325 HydrophobicContact CD2-CH2 4.46Å; L314-W325 HydrophobicContact CD2-CZ2 4.19Å; L314-W325 HydrophobicContact CD2-CZ3 4.31Å; L314-W325 HydrophobicContact CG-CD2 4.3Å; L314-W325 HydrophobicContact CG-CE3 4.11Å; L314-W325 HydrophobicContact CG-CH2 4.31Å; L314-W325 HydrophobicContact CG-CZ2 4.47Å; L314-W325 HydrophobicContact CG-CZ3 4.12Å; W325-G327 PolarHBondContact O-N 2.91Å; W325-T328 HydrophobicContact CB-CG2 3.94Å; W325-T328 PolarHBondContact N-OG1 2.99Å; W325-T328 WeakPolarHBondContact O-CB 3.29Å; W325-T328 PolarHBondContact O-N 3.39Å; W325-T328 PolarHBondContact O-OG1 3.5Å |
| 326 | K | 89.3 | Confident | 86 | Confident | 93 Ų | 93 | 60.7 Ų | 60.7 | 40% | 0.404 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 132.3 | 172.8 | -175.6 | 176.4 | 175.4 | -164 | 0 | 111.1 | R118 T313 Q315 T328 | R118-K326 PolarHBondContact NH2-O 3.13Å; T313-K326 WeakPolarHBondContact O-CB 3.26Å; T313-K326 PolarHBondContact O-N 3.08Å; Q315-K326 HydrophobicContact CG-CB 4.11Å; K326-T328 VanDerWaalsContact C-N 3.33Å |
| 327 | G | 83.9 | Confident | 85.1 | Confident | 72 Ų | 72 | 61.6 Ų | 61.6 | 74% | 0.742 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.7 | 11.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | W325 | W325-G327 PolarHBondContact O-N 2.91Š|
| 328 | T | 84.8 | Confident | 84.3 | Confident | 32 Ų | 32 | 69.6 Ų | 69.6 | 20% | 0.196 | 38% | 0.383 | C | S | . | . | trans | -95.3 | 127.9 | 168.9 | 58 | 0 | 0 | 0 | 0 | 110.7 | S324 W325 K326 | S324-T328 WeakPolarHBondContact CB-OG1 3.4Å; S324-T328 PolarHBondContact OG-OG1 3.36Å; W325-T328 HydrophobicContact CB-CG2 3.94Å; W325-T328 PolarHBondContact N-OG1 2.99Å; W325-T328 WeakPolarHBondContact O-CB 3.29Å; W325-T328 PolarHBondContact O-N 3.39Å; W325-T328 PolarHBondContact O-OG1 3.5Å; K326-T328 VanDerWaalsContact C-N 3.33Å | ||
| 329 | D | 81.4 | Confident | 84 | Confident | 152 Ų | 152 | 66.9 Ų | 66.9 | 81% | 0.813 | 38% | 0.382 | S | S | * | . | trans | -69.3 | 137.1 | 175.2 | -60.1 | -40.5 | 0 | 0 | 0 | 110.2 | ||||
| 330 | H | 82.2 | Confident | 83.8 | Confident | 33 Ų | 33 | 64 Ų | 64 | 15% | 0.153 | 37% | 0.372 | C | S | . | . | trans | -136.6 | 152.2 | 175 | 65.1 | -84.9 | 0 | 0 | 0 | 109.9 | W83 C317 C320 I322 C332 | W83-H330 HydrophobicContact CB-CB 4.27Å; W83-H330 HydrophobicContact CD2-CB 4.45Å; W83-H330 HydrophobicContact CG-CB 3.94Å; C317-H330 WeakPolarHBondContact CB-NE2 3.48Å; C320-H330 PolarHBondContact SG-CD2 3.29Å; I322-H330 HydrophobicContact CD1-CB 4.22Å; I322-H330 HydrophobicContact CG2-CB 3.85Å; H330-C332 VanDerWaalsContact C-N 3.28Å; H330-C332 PolarHBondContact O-N 2.98Å | ||
| 331 | P | 82.8 | Confident | 84 | Confident | 74 Ų | 74 | 64 Ų | 64 | 48% | 0.481 | 37% | 0.372 | S | S | . | . | trans | -72.4 | 82.2 | -177.3 | 30.4 | -35.8 | 0 | 0 | 0 | 110.5 | W83 I322 | W83-P331 VanDerWaalsContact CE2-CD 3.42Å; W83-P331 HydrophobicContact CH2-CG 3.9Å; W83-P331 VanDerWaalsContact CZ2-CD 3.45Å; W83-P331 HydrophobicContact CZ2-CG 3.57Å; I322-P331 HydrophobicContact CD1-CG 4.05Å | ||
| 332 | C | 83.8 | Confident | 84.2 | Confident | 24 Ų | 24 | 62.4 Ų | 62.4 | 16% | 0.162 | 37% | 0.368 | C | S | . | . | trans | -103.4 | 132.5 | 173.7 | -165.4 | 0 | 0 | 0 | 0 | 110 | H330 A334 P337 | H330-C332 VanDerWaalsContact C-N 3.28Å; H330-C332 PolarHBondContact O-N 2.98Å; C332-A334 VanDerWaalsContact C-N 3.32Å; C332-A334 VanDerWaalsContact SG-CB 3.58Å; C332-P337 HydrophobicContact CB-CB 4.06Å; C332-P337 HydrophobicContact CB-CG 4.21Å | ||
| 333 | T | 84 | Confident | 84.3 | Confident | 122 Ų | 122 | 65.4 Ų | 65.4 | 75% | 0.748 | 39% | 0.389 | S | S | * | . | trans | -89.6 | 3.9 | 176 | 51 | 0 | 0 | 0 | 0 | 113.3 | H319 | H319-T333 PolarHBondContact CE1-OG1 3.45Å; H319-T333 VanDerWaalsContact CE1-OG1 3.26Å | ||
| 334 | A | 81.3 | Confident | 84.5 | Confident | 18 Ų | 18 | 66.1 Ų | 66.1 | 15% | 0.149 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -71.4 | 140.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | H319 C332 N336 P337 | H319-A334 HydrophobicContact CB-CB 4.28Å; C332-A334 VanDerWaalsContact C-N 3.32Å; C332-A334 VanDerWaalsContact SG-CB 3.58Å; A334-N336 PolarHBondContact O-N 3.23Å; A334-P337 WeakPolarHBondContact O-CD 3.35Å |
| 335 | N | 74.6 | Confident | 84.6 | Confident | 179 Ų | 179 | 67.5 Ų | 67.5 | 96% | 0.957 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -59.7 | -28.1 | 177.4 | -67.2 | -14.1 | 0 | 0 | 0 | 113.3 | ||
| 336 | N | 79.5 | Confident | 84.7 | Confident | 87 Ų | 87 | 67.2 Ų | 67.2 | 47% | 0.465 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -136.4 | 88.3 | 172.9 | -174.4 | -13 | 0 | 0 | 0 | 110.8 | A334 E338 S339 | A334-N336 PolarHBondContact O-N 3.23Å; N336-E338 VanDerWaalsContact C-N 3.3Å; N336-E338 PolarHBondContact O-N 3.43Å; N336-E338 PolarHBondContact OD1-N 3.08Å; N336-S339 PolarHBondContact O-N 3.31Å; N336-S339 PolarHBondContact O-OG 3.28Å; N336-S339 PolarHBondContact OD1-N 3.48Å |
| 337 | P | 73.7 | Confident | 84.9 | Confident | 48 Ų | 48 | 65.5 Ų | 65.5 | 31% | 0.312 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -32.7 | -175.7 | -24.1 | 34.5 | 0 | 0 | 0 | 114.3 | C332 A334 C340 S341 | C332-P337 HydrophobicContact CB-CB 4.06Å; C332-P337 HydrophobicContact CB-CG 4.21Å; A334-P337 WeakPolarHBondContact O-CD 3.35Å; P337-C340 PolarHBondContact O-N 3.34Å; P337-S341 PolarHBondContact O-N 3.49Å; P337-S341 PolarHBondContact O-OG 3Å |
| 338 | E | 75 | Confident | 85.3 | Confident | 168 Ų | 168 | 65.7 Ų | 65.7 | 79% | 0.785 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -39 | -179.7 | -64.5 | -166.1 | 162.8 | 0 | 0 | 111.4 | N336 C340 S341 | N336-E338 VanDerWaalsContact C-N 3.3Å; N336-E338 PolarHBondContact O-N 3.43Å; N336-E338 PolarHBondContact OD1-N 3.08Å; E338-C340 PolarHBondContact O-N 3.01Å; E338-S341 PolarHBondContact O-N 2.98Å |
| 339 | S | 81.1 | Confident | 85.8 | Confident | 85 Ų | 85 | 64.2 Ų | 64.2 | 59% | 0.594 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -25.2 | 177.2 | 74.2 | 0 | 0 | 0 | 0 | 113.6 | N336 | N336-S339 PolarHBondContact O-N 3.31Å; N336-S339 PolarHBondContact O-OG 3.28Å; N336-S339 PolarHBondContact OD1-N 3.48Å |
| 340 | C | 84.3 | Confident | 86.3 | Confident | 34 Ų | 34 | 57 Ų | 57 | 23% | 0.23 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -6 | -179.8 | -61.7 | 0 | 0 | 0 | 0 | 113.2 | K318 H319 P337 E338 | K318-C340 WeakPolarHBondContact CB-O 3.18Å; K318-C340 PolarHBondContact N-O 2.94Å; H319-C340 HydrophobicContact CB-CB 4.19Å; P337-C340 PolarHBondContact O-N 3.34Å; E338-C340 PolarHBondContact O-N 3.01Å |
| 341 | S | 89.1 | Confident | 86.8 | Confident | 22 Ų | 22 | 58.7 Ų | 58.7 | 15% | 0.154 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 133.1 | -172.2 | -64.2 | 0 | 0 | 0 | 0 | 111.4 | L316 P337 E338 | L316-S341 WeakPolarHBondContact O-CA 3.23Å; P337-S341 PolarHBondContact O-N 3.49Å; P337-S341 PolarHBondContact O-OG 3Å; E338-S341 PolarHBondContact O-N 2.98Å |
| 342 | V | 92.1 | Very high | 87.1 | Confident | 58 Ų | 58 | 56.5 Ų | 56.5 | 35% | 0.352 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 125 | 175.9 | 177 | 0 | 0 | 0 | 0 | 109.6 | Q315 L316 K318 | Q315-V342 WeakPolarHBondContact CA-O 3.4Å; L316-V342 PolarHBondContact N-O 3.07Å; L316-V342 PolarHBondContact O-N 2.96Å; K318-V342 HydrophobicContact CD-CG2 3.97Å; K318-V342 HydrophobicContact CG-CG2 4.38Å |
| 343 | S | 93 | Very high | 87.3 | Confident | 63 Ų | 63 | 56.3 Ų | 56.3 | 44% | 0.441 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 134.4 | 171.7 | -60.9 | 0 | 0 | 0 | 0 | 110.8 | T313 | T313-S343 WeakPolarHBondContact OG1-CB 3.24Å; T313-S343 PolarHBondContact OG1-OG 3.49Å |
| 344 | L | 94.1 | Very high | 87.1 | Confident | 15 Ų | 15 | 55.5 Ų | 55.5 | 8% | 0.079 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 139 | 180 | -57.3 | 177.2 | 0 | 0 | 0 | 109.7 | Y121 L314 L316 L323 D348 F349 L352 | Y121-L344 VanDerWaalsContact CE2-O 3.29Å; Y121-L344 WeakPolarHBondContact CE2-O 3.46Å; L314-L344 PolarHBondContact O-N 3.37Å; L316-L344 HydrophobicContact CB-CD1 4.08Å; L316-L344 HydrophobicContact CB-CD2 4.33Å; L316-L344 HydrophobicContact CB-CG 4.34Å; L323-L344 HydrophobicContact CD1-CD1 3.53Å; L344-D348 HydrophobicContact CB-CB 4.29Å; L344-D348 HydrophobicContact CD2-CB 4.28Å; L344-F349 HydrophobicContact CD1-CB 4.48Å; L344-L352 HydrophobicContact CD1-CD1 3.43Å; L344-L352 VanDerWaalsContact CD1-CD1 3.43Å; L344-L352 HydrophobicContact CD1-CG 4.43Å; L344-L352 HydrophobicContact CD2-CD1 4.5Å |
| 345 | S | 94.4 | Very high | 86.3 | Confident | 32 Ų | 32 | 62.9 Ų | 62.9 | 22% | 0.224 | 34% | 0.338 | C | S | . | . | trans | -73 | 161.8 | 160.6 | 73.1 | 0 | 0 | 0 | 0 | 110.4 | Y121 Q347 D348 F349 | Y121-S345 PolarHBondContact OH-O 3.01Å; S345-Q347 PolarHBondContact O-N 3.14Å; S345-Q347 PolarHBondContact OG-N 3.43Å; S345-D348 WeakPolarHBondContact CB-OD2 3.5Å; S345-D348 PolarHBondContact N-OD2 2.95Å; S345-D348 PolarHBondContact O-N 3.44Å; S345-D348 PolarHBondContact OG-N 3.31Å; S345-D348 PolarHBondContact OG-OD2 2.95Å; S345-F349 PolarHBondContact O-N 2.94Å | ||
| 346 | P | 95 | Very high | 86.9 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -54 | -35.4 | 173 | -27.6 | 36.4 | 0 | 0 | 0 | 113.1 | Y121 R124 L125 L128 Y310 I350 | Y121-P346 HydrophobicContact CD1-CG 4.44Å; Y121-P346 HydrophobicContact CD2-CG 3.64Å; Y121-P346 HydrophobicContact CE1-CG 4.39Å; Y121-P346 HydrophobicContact CE2-CB 4.41Å; Y121-P346 VanDerWaalsContact CE2-CD 3.41Å; Y121-P346 HydrophobicContact CE2-CG 3.58Å; Y121-P346 HydrophobicContact CG-CG 4.09Å; R124-P346 HydrophobicContact CB-CB 4.39Å; R124-P346 HydrophobicContact CB-CG 3.99Å; R124-P346 HydrophobicContact CG-CB 4.05Å; R124-P346 HydrophobicContact CG-CG 3.9Å; L125-P346 HydrophobicContact CB-CB 4.16Å; L128-P346 HydrophobicContact CD1-CB 3.82Å; Y310-P346 HydrophobicContact CE1-CG 4.47Å; Y310-P346 VanDerWaalsContact CE2-CD 3.42Å; Y310-P346 HydrophobicContact CE2-CG 3.87Å; P346-I350 WeakPolarHBondContact O-CG1 3.41Å; P346-I350 PolarHBondContact O-N 3.38Å |
| 347 | Q | 93.3 | Very high | 87.3 | Confident | 57 Ų | 57 | 55.5 Ų | 55.5 | 27% | 0.266 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -72.3 | -39.8 | 177.3 | -172.5 | 57 | 68.7 | 0 | 0 | 112 | L128 S345 F349 I350 N351 | L128-Q347 HydrophobicContact CD1-CB 4.06Å; S345-Q347 PolarHBondContact O-N 3.14Å; S345-Q347 PolarHBondContact OG-N 3.43Å; Q347-F349 VanDerWaalsContact C-N 3.34Å; Q347-I350 PolarHBondContact O-N 3.04Å; Q347-N351 PolarHBondContact NE2-OD1 3.02Å; Q347-N351 WeakPolarHBondContact O-CB 3.49Å; Q347-N351 PolarHBondContact O-N 3.2Å; Q347-N351 PolarHBondContact O-ND2 3.5Å; Q347-N351 PolarHBondContact O-OD1 2.98Å |
| 348 | D | 93.1 | Very high | 88 | Confident | 77 Ų | 77 | 55.9 Ų | 55.9 | 41% | 0.412 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.9 | -40.4 | 176.1 | -61.5 | -40.9 | 0 | 0 | 0 | 111.1 | L344 S345 I350 N351 L352 | L344-D348 HydrophobicContact CB-CB 4.29Å; L344-D348 HydrophobicContact CD2-CB 4.28Å; S345-D348 WeakPolarHBondContact CB-OD2 3.5Å; S345-D348 PolarHBondContact N-OD2 2.95Å; S345-D348 PolarHBondContact O-N 3.44Å; S345-D348 PolarHBondContact OG-N 3.31Å; S345-D348 PolarHBondContact OG-OD2 2.95Å; D348-I350 PolarHBondContact O-N 2.97Å; D348-N351 CarbonylContact O-C 3.58Å; D348-N351 PolarHBondContact O-N 3.07Å; D348-N351 VanDerWaalsContact O-N 3.11Å; D348-L352 WeakPolarHBondContact O-CG 3.38Å; D348-L352 PolarHBondContact O-N 3.47Å |
| 349 | F | 93.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56.9 | -46.7 | 172.8 | 167.4 | -101.9 | 0 | 0 | 0 | 111.8 | L100 A103 L107 F109 L125 L314 L323 L344 S345 Q347 N351 L352 F353 | L100-F349 HydrophobicContact CD1-CD1 4.19Å; L100-F349 HydrophobicContact CD1-CE1 3.51Å; L100-F349 HydrophobicContact CD1-CZ 3.95Å; A103-F349 HydrophobicContact CB-CE2 4.4Å; A103-F349 HydrophobicContact CB-CZ 4.31Å; L107-F349 HydrophobicContact CD1-CE2 4.07Å; L107-F349 HydrophobicContact CD1-CZ 4.47Å; F109-F349 HydrophobicContact CE2-CZ 4.39Å; F109-F349 HydrophobicContact CZ-CE1 4.24Å; F109-F349 HydrophobicContact CZ-CZ 4.06Å; L125-F349 HydrophobicContact CD1-CD1 3.57Å; L125-F349 HydrophobicContact CD1-CE1 3.91Å; L125-F349 HydrophobicContact CD2-CD1 3.92Å; L125-F349 HydrophobicContact CD2-CE1 3.78Å; L125-F349 HydrophobicContact CG-CD1 4.42Å; L125-F349 HydrophobicContact CG-CE1 4.48Å; L314-F349 HydrophobicContact CD1-CD2 3.73Å; L314-F349 HydrophobicContact CD1-CE2 4.03Å; L314-F349 HydrophobicContact CD1-CG 4.1Å; L323-F349 HydrophobicContact CD2-CD2 3.62Å; L323-F349 HydrophobicContact CD2-CE2 3.45Å; L323-F349 VanDerWaalsContact CD2-CE2 3.45Å; L344-F349 HydrophobicContact CD1-CB 4.48Å; S345-F349 PolarHBondContact O-N 2.94Å; Q347-F349 VanDerWaalsContact C-N 3.34Å; F349-N351 VanDerWaalsContact C-N 3.31Å; F349-N351 PolarHBondContact O-N 3.29Å; F349-L352 WeakPolarHBondContact O-CB 3.39Å; F349-L352 PolarHBondContact O-N 3.14Å; F349-F353 HydrophobicContact CD2-CE2 4.04Å; F349-F353 AromaticContact CE2-CE2 3.62Å; F349-F353 HydrophobicContact CE2-CE2 3.62Å; F349-F353 HydrophobicContact CE2-CZ 4.33Å; F349-F353 HydrophobicContact CZ-CE2 4.06Å; F349-F353 VanDerWaalsContact O-CD2 3.28Å; F349-F353 WeakPolarHBondContact O-CD2 3.39Å |
| 350 | I | 92.9 | Very high | 89.3 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.6 | -42.7 | 174.6 | -69.5 | 171.1 | 0 | 0 | 0 | 110.8 | L100 L125 L128 I129 Q133 P346 Q347 D348 L352 F353 | L100-I350 HydrophobicContact CD1-CG1 4.33Å; L100-I350 HydrophobicContact CD2-CG1 4.39Å; L100-I350 HydrophobicContact CD2-CG2 4.38Å; L125-I350 HydrophobicContact CD1-CD1 3.89Å; L125-I350 HydrophobicContact CD1-CG1 3.77Å; L128-I350 HydrophobicContact CB-CD1 3.5Å; L128-I350 HydrophobicContact CD1-CD1 4.09Å; L128-I350 HydrophobicContact CG-CD1 4.46Å; I129-I350 HydrophobicContact CG1-CD1 4.32Å; Q133-I350 HydrophobicContact CG-CG2 3.95Å; P346-I350 WeakPolarHBondContact O-CG1 3.41Å; P346-I350 PolarHBondContact O-N 3.38Å; Q347-I350 PolarHBondContact O-N 3.04Å; D348-I350 PolarHBondContact O-N 2.97Å; I350-L352 PolarHBondContact O-N 2.93Å; I350-F353 PolarHBondContact O-N 3.24Å |
| 351 | N | 91.6 | Very high | 89.6 | Confident | 69 Ų | 69 | 47.9 Ų | 47.9 | 37% | 0.369 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -67.3 | -22 | -177.8 | -67.1 | -18.6 | 0 | 0 | 0 | 113 | Q347 D348 F349 F353 K354 | Q347-N351 PolarHBondContact NE2-OD1 3.02Å; Q347-N351 WeakPolarHBondContact O-CB 3.49Å; Q347-N351 PolarHBondContact O-N 3.2Å; Q347-N351 PolarHBondContact O-ND2 3.5Å; Q347-N351 PolarHBondContact O-OD1 2.98Å; D348-N351 CarbonylContact O-C 3.58Å; D348-N351 PolarHBondContact O-N 3.07Å; D348-N351 VanDerWaalsContact O-N 3.11Å; F349-N351 VanDerWaalsContact C-N 3.31Å; F349-N351 PolarHBondContact O-N 3.29Å; N351-F353 PolarHBondContact O-N 2.97Å; N351-F353 VanDerWaalsContact O-N 3.17Å; N351-K354 PolarHBondContact O-N 3.45Å; N351-K354 PolarHBondContact OD1-NZ 3.44Å |
| 352 | L | 89.6 | Confident | 89.6 | Confident | 28 Ų | 28 | 49.8 Ų | 49.8 | 15% | 0.147 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -22.8 | 173.1 | -73.1 | -179.1 | 0 | 0 | 0 | 113.4 | L316 L344 D348 F349 I350 F355 | L316-L352 HydrophobicContact CD2-CD1 4.2Å; L316-L352 HydrophobicContact CD2-CD2 4.02Å; L344-L352 HydrophobicContact CD1-CD1 3.43Å; L344-L352 VanDerWaalsContact CD1-CD1 3.43Å; L344-L352 HydrophobicContact CD1-CG 4.43Å; L344-L352 HydrophobicContact CD2-CD1 4.5Å; D348-L352 WeakPolarHBondContact O-CG 3.38Å; D348-L352 PolarHBondContact O-N 3.47Å; F349-L352 WeakPolarHBondContact O-CB 3.39Å; F349-L352 PolarHBondContact O-N 3.14Å; I350-L352 PolarHBondContact O-N 2.93Å; L352-F355 VanDerWaalsContact O-CE2 3.27Å; L352-F355 WeakPolarHBondContact O-CE2 3.24Å; L352-F355 WeakPolarHBondContact O-CZ 3.27Å |
| 353 | F | 87.7 | Confident | 89.5 | Confident | 20 Ų | 20 | 49.2 Ų | 49.2 | 9% | 0.088 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | 9.2 | -176.3 | -56.2 | -79.8 | 0 | 0 | 0 | 113.4 | V86 L100 A103 F349 I350 N351 F355 | V86-F353 HydrophobicContact CG1-CE1 3.99Å; V86-F353 HydrophobicContact CG1-CZ 4.13Å; V86-F353 HydrophobicContact CG2-CZ 4.17Å; L100-F353 HydrophobicContact CB-CB 3.95Å; L100-F353 HydrophobicContact CB-CD2 4.3Å; L100-F353 HydrophobicContact CB-CG 4.24Å; L100-F353 HydrophobicContact CD1-CD2 3.99Å; A103-F353 HydrophobicContact CB-CE1 3.86Å; A103-F353 HydrophobicContact CB-CE2 3.85Å; A103-F353 HydrophobicContact CB-CZ 3.33Å; F349-F353 HydrophobicContact CD2-CE2 4.04Å; F349-F353 AromaticContact CE2-CE2 3.62Å; F349-F353 HydrophobicContact CE2-CE2 3.62Å; F349-F353 HydrophobicContact CE2-CZ 4.33Å; F349-F353 HydrophobicContact CZ-CE2 4.06Å; F349-F353 VanDerWaalsContact O-CD2 3.28Å; F349-F353 WeakPolarHBondContact O-CD2 3.39Å; I350-F353 PolarHBondContact O-N 3.24Å; N351-F353 PolarHBondContact O-N 2.97Å; N351-F353 VanDerWaalsContact O-N 3.17Å; F353-F355 PolarHBondContact O-N 3Å |
| 354 | K | 80.6 | Confident | 89.2 | Confident | 104 Ų | 104 | 48 Ų | 48 | 45% | 0.452 | 23% | 0.233 | S | C | . | . | trans | -88.2 | 96 | 170.6 | -71.1 | -178.9 | 179.1 | 162.7 | 0 | 107.8 | N351 | N351-K354 PolarHBondContact O-N 3.45Å; N351-K354 PolarHBondContact OD1-NZ 3.44Å | ||
| 355 | F | 64.2 | Low | 88.7 | Confident | 173 Ų | 173 | 51 Ų | 51 | 76% | 0.759 | 25% | 0.247 | S | C | * | . | trans | -111.7 | 0 | 173.1 | -60.3 | -70 | 0 | 0 | 0 | 110.4 | K88 L352 F353 | K88-F355 HydrophobicContact CB-CE1 3.91Å; K88-F355 HydrophobicContact CB-CZ 4.07Å; K88-F355 HydrophobicContact CD-CE1 4.03Å; K88-F355 HydrophobicContact CD-CZ 4.48Å; K88-F355 HydrophobicContact CG-CE1 3.72Å; K88-F355 HydrophobicContact CG-CZ 3.75Å; L352-F355 VanDerWaalsContact O-CE2 3.27Å; L352-F355 WeakPolarHBondContact O-CE2 3.24Å; L352-F355 WeakPolarHBondContact O-CZ 3.27Å; F353-F355 PolarHBondContact O-N 3Å |
Retrieved 355 of 355 residues in 399.4 ms
(Link to these results)