| 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 | 53.8 | Low | 51.4 | Low | 215 Ų | 215 | 130.5 Ų | 130.5 | 100% | 1.059 | 67% | 0.671 | S | S | * | * | 0 | -38.1 | 0 | -122.1 | 157.8 | 69.1 | 0 | 0 | 113.5 | |||||
| 2 | F | 50.5 | Low | 51.1 | Low | 179 Ų | 179 | 129.3 Ų | 129.3 | 79% | 0.785 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -69.6 | -35 | -179.9 | -71.9 | -79.9 | 0 | 0 | 0 | 115.6 | S4 F5 C6 | F2-S4 VanDerWaalsContact C-N 3.32Å; F2-S4 PolarHBondContact O-N 3.4Å; F2-F5 PolarHBondContact O-N 3.4Å; F2-C6 PolarHBondContact O-N 3.25Å |
| 3 | L | 52.7 | Low | 50.8 | Low | 146 Ų | 146 | 129.5 Ų | 129.5 | 76% | 0.764 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -65.4 | -32.5 | 177.2 | -95.7 | 88 | 0 | 0 | 0 | 113.6 | F5 C6 L7 | L3-F5 VanDerWaalsContact C-N 3.33Å; L3-C6 PolarHBondContact O-N 3.36Å; L3-L7 WeakPolarHBondContact O-CG 3.4Å; L3-L7 PolarHBondContact O-N 3.36Å |
| 4 | S | 52.6 | Low | 49.9 | Very low | 77 Ų | 77 | 124.2 Ų | 124.2 | 54% | 0.538 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -69.4 | -34 | 179.3 | -164.9 | 0 | 0 | 0 | 0 | 111.5 | F2 L7 L8 | F2-S4 VanDerWaalsContact C-N 3.32Å; F2-S4 PolarHBondContact O-N 3.4Å; S4-L7 PolarHBondContact O-N 2.03Å; S4-L8 PolarHBondContact O-N 3.42Å |
| 5 | F | 51.9 | Low | 49.5 | Very low | 147 Ų | 147 | 125.5 Ų | 125.5 | 65% | 0.645 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -72.2 | -35 | 178.3 | -144.6 | -96.4 | 0 | 0 | 0 | 112.3 | F2 L3 L8 L9 | F2-F5 PolarHBondContact O-N 3.4Å; L3-F5 VanDerWaalsContact C-N 3.33Å; F5-L8 PolarHBondContact O-N 3Å; F5-L9 HydrophobicContact CE1-CD1 4.4Å; F5-L9 PolarHBondContact O-N 3.44Å; F5-L9 VanDerWaalsContact O-N 3.14Å |
| 6 | C | 53.6 | Low | 49.3 | Very low | 86 Ų | 86 | 125.1 Ų | 125.1 | 58% | 0.581 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -68 | -33.8 | 174.8 | -67.3 | 0 | 0 | 0 | 0 | 113 | F2 L3 T10 | F2-C6 PolarHBondContact O-N 3.25Å; L3-C6 PolarHBondContact O-N 3.36Å; C6-T10 PolarHBondContact O-N 3.35Å; C6-T10 PolarHBondContact O-OG1 2.97Å |
| 7 | L | 53.1 | Low | 49.4 | Very low | 122 Ų | 122 | 120.4 Ų | 120.4 | 64% | 0.639 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -73.3 | -30.4 | 176.5 | -70.5 | 169.8 | 0 | 0 | 0 | 112.6 | L3 S4 T10 F11 | L3-L7 WeakPolarHBondContact O-CG 3.4Å; L3-L7 PolarHBondContact O-N 3.36Å; S4-L7 PolarHBondContact O-N 2.03Å; L7-T10 PolarHBondContact O-OG1 2.89Å; L7-F11 PolarHBondContact O-N 3.44Å |
| 8 | L | 51.6 | Low | 49.5 | Very low | 107 Ų | 107 | 120.6 Ų | 120.6 | 56% | 0.56 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -72.4 | -36.8 | 173.2 | -78.5 | 160 | 0 | 0 | 0 | 111.8 | S4 F5 F11 V12 | S4-L8 PolarHBondContact O-N 3.42Å; F5-L8 PolarHBondContact O-N 3Å; L8-F11 PolarHBondContact O-N 2.84Å; L8-V12 WeakPolarHBondContact O-CG2 3.49Å; L8-V12 PolarHBondContact O-N 2.8Å; L8-V12 VanDerWaalsContact O-N 3.15Å |
| 9 | L | 49.5 | Very low | 49.6 | Very low | 104 Ų | 104 | 124.8 Ų | 124.8 | 55% | 0.545 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -67.4 | -35.9 | 177.3 | -129.5 | 89.7 | 0 | 0 | 0 | 112.8 | F5 F11 L13 | F5-L9 HydrophobicContact CE1-CD1 4.4Å; F5-L9 PolarHBondContact O-N 3.44Å; F5-L9 VanDerWaalsContact O-N 3.14Å; L9-F11 VanDerWaalsContact C-N 3.34Å; L9-L13 PolarHBondContact O-N 2.83Å |
| 10 | T | 51.8 | Low | 49.8 | Very low | 94 Ų | 94 | 121.4 Ų | 121.4 | 58% | 0.577 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -72.2 | -28.5 | 175.1 | 53.2 | 0 | 0 | 0 | 0 | 112.4 | C6 L7 G14 | C6-T10 PolarHBondContact O-N 3.35Å; C6-T10 PolarHBondContact O-OG1 2.97Å; L7-T10 PolarHBondContact O-OG1 2.89Å; T10-G14 PolarHBondContact O-N 2.71Å |
| 11 | F | 44.4 | Very low | 50.3 | Low | 158 Ų | 158 | 121.6 Ų | 121.6 | 69% | 0.693 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -71.9 | -35.6 | 175 | -155.1 | -99.3 | 0 | 0 | 0 | 112.4 | L7 L8 L9 G14 | L7-F11 PolarHBondContact O-N 3.44Å; L8-F11 PolarHBondContact O-N 2.84Å; L9-F11 VanDerWaalsContact C-N 3.34Å; F11-G14 PolarHBondContact O-N 3.41Å |
| 12 | V | 47.8 | Very low | 51.2 | Low | 116 Ų | 116 | 120.6 Ų | 120.6 | 70% | 0.703 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -73.3 | -31.6 | 177.9 | 179.3 | 0 | 0 | 0 | 0 | 112.2 | L8 | L8-V12 WeakPolarHBondContact O-CG2 3.49Å; L8-V12 PolarHBondContact O-N 2.8Å; L8-V12 VanDerWaalsContact O-N 3.15Å |
| 13 | L | 47.3 | Very low | 52.2 | Low | 132 Ų | 132 | 116.5 Ų | 116.5 | 69% | 0.691 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -82.2 | -12 | 175.7 | -72 | 164.4 | 0 | 0 | 0 | 113.9 | L9 | L9-L13 PolarHBondContact O-N 2.83Å |
| 14 | G | 38.5 | Very low | 53.5 | Low | 56 Ų | 56 | 113.2 Ų | 113.2 | 58% | 0.577 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -81.4 | -15.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115 | T10 F11 T16 | T10-G14 PolarHBondContact O-N 2.71Å; F11-G14 PolarHBondContact O-N 3.41Å; G14-T16 PolarHBondContact O-N 2.04Å |
| 15 | L | 43.1 | Very low | 55 | Low | 143 Ų | 143 | 112.2 Ų | 112.2 | 75% | 0.749 | 65% | 0.647 | S | S | * | * | trans | -86.2 | 53.5 | 175.4 | -72.3 | 162 | 0 | 0 | 0 | 110.8 | G17 | L15-G17 PolarHBondContact O-N 2.86Š| ||
| 16 | T | 47.3 | Very low | 56.4 | Low | 119 Ų | 119 | 111 Ų | 111 | 73% | 0.73 | 64% | 0.643 | S | S | * | * | trans | -72.9 | 81.2 | 155.1 | 50.5 | 0 | 0 | 0 | 0 | 106.5 | G14 S18 | G14-T16 PolarHBondContact O-N 2.04Å; T16-S18 PolarHBondContact O-N 3.15Å | ||
| 17 | G | 50.1 | Low | 58 | Low | 45 Ų | 45 | 112.3 Ų | 112.3 | 46% | 0.464 | 65% | 0.65 | S | S | . | * | trans | -48.4 | 117.8 | 168 | 0 | 0 | 0 | 0 | 0 | 107.2 | L15 F19 | L15-G17 PolarHBondContact O-N 2.86Å; G17-F19 VanDerWaalsContact O-CD2 3.24Å; G17-F19 WeakPolarHBondContact O-CD2 3.42Å; G17-F19 PolarHBondContact O-N 2.92Å | ||
| 18 | S | 51.2 | Low | 59.7 | Low | 125 Ų | 125 | 108.6 Ų | 108.6 | 87% | 0.874 | 63% | 0.634 | S | S | * | * | trans | -64.3 | 88.1 | 170 | -74.9 | 0 | 0 | 0 | 0 | 106.8 | T16 G20 | T16-S18 PolarHBondContact O-N 3.15Å; S18-G20 VanDerWaalsContact C-N 3.32Å; S18-G20 PolarHBondContact O-N 3.12Å | ||
| 19 | F | 51.5 | Low | 61.6 | Low | 200 Ų | 200 | 107.8 Ų | 107.8 | 88% | 0.877 | 63% | 0.63 | S | S | * | * | trans | -58.5 | 104.3 | 166.5 | -66.5 | -79.5 | 0 | 0 | 0 | 105.5 | G17 S21 | G17-F19 VanDerWaalsContact O-CD2 3.24Å; G17-F19 WeakPolarHBondContact O-CD2 3.42Å; G17-F19 PolarHBondContact O-N 2.92Å; F19-S21 PolarHBondContact O-N 2.79Å | ||
| 20 | G | 53.8 | Low | 63.6 | Low | 57 Ų | 57 | 110.2 Ų | 110.2 | 59% | 0.588 | 64% | 0.639 | S | S | * | * | trans | -51.4 | 139.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | S18 Y22 | S18-G20 VanDerWaalsContact C-N 3.32Å; S18-G20 PolarHBondContact O-N 3.12Å; G20-Y22 PolarHBondContact O-N 3.18Å | ||
| 21 | S | 60.5 | Low | 65.4 | Low | 126 Ų | 126 | 112.4 Ų | 112.4 | 88% | 0.881 | 64% | 0.64 | S | S | * | * | trans | -61.7 | 103.7 | 174.3 | -56.5 | 0 | 0 | 0 | 0 | 108.4 | F19 | F19-S21 PolarHBondContact O-N 2.79Š| ||
| 22 | Y | 71.5 | Confident | 67.4 | Low | 193 Ų | 193 | 106.1 Ų | 106.1 | 76% | 0.757 | 62% | 0.617 | S | S | * | * | trans | -93.6 | 129 | 175.3 | 176.8 | -113.5 | 0 | 0 | 0 | 108.8 | G20 P24 | G20-Y22 PolarHBondContact O-N 3.18Å; Y22-P24 HydrophobicContact CD1-CB 4.18Å; Y22-P24 HydrophobicContact CD1-CG 4.29Å; Y22-P24 HydrophobicContact CE1-CB 3.57Å; Y22-P24 HydrophobicContact CE1-CG 4.17Å; Y22-P24 VanDerWaalsContact O-CD 3.26Å; Y22-P24 WeakPolarHBondContact O-CD 3.05Å | ||
| 23 | V | 73.4 | Confident | 69.4 | Low | 94 Ų | 94 | 104.1 Ų | 104.1 | 57% | 0.57 | 60% | 0.603 | S | S | * | * | trans | -107.9 | 93.8 | 176.5 | -175.1 | 0 | 0 | 0 | 0 | 107.8 | A208 | V23-A208 HydrophobicContact CG1-CB 3.97Š| ||
| 24 | P | 79.7 | Confident | 71.4 | Confident | 77 Ų | 77 | 102.2 Ų | 102.2 | 50% | 0.5 | 60% | 0.6 | S | S | . | * | P | Polyproline II helix | trans | -69.7 | 153.9 | 176.7 | 25.8 | -30.9 | 0 | 0 | 0 | 111.5 | Y22 | Y22-P24 HydrophobicContact CD1-CB 4.18Å; Y22-P24 HydrophobicContact CD1-CG 4.29Å; Y22-P24 HydrophobicContact CE1-CB 3.57Å; Y22-P24 HydrophobicContact CE1-CG 4.17Å; Y22-P24 VanDerWaalsContact O-CD 3.26Å; Y22-P24 WeakPolarHBondContact O-CD 3.05Å |
| 25 | C | 82.8 | Confident | 73.9 | Confident | 56 Ų | 56 | 106.1 Ų | 106.1 | 38% | 0.378 | 61% | 0.605 | S | S | . | * | P | Polyproline II helix | trans | -62.7 | 151.1 | 159.1 | -73.1 | 0 | 0 | 0 | 0 | 110.1 | C51 | C25-C51 HydrophobicContact CB-CB 3.63Å; C25-C51 WeakPolarHBondContact CB-SG 3.43Å; C25-C51 WeakPolarHBondContact SG-CA 3.01Å; C25-C51 WeakPolarHBondContact SG-CB 3.37Å; C25-C51 CovalentContact SG-SG 2.04Å; C25-C51 PolarHBondContact SG-SG 3.04Å |
| 26 | E | 81.9 | Confident | 76.3 | Confident | 120 Ų | 120 | 101 Ų | 101 | 56% | 0.561 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 134.5 | 168.7 | -166.4 | 170.9 | 155.4 | 0 | 0 | 109.5 | L209 | E26-L209 HydrophobicContact CB-CD1 4.29Å; E26-L209 WeakPolarHBondContact OE2-CD1 3.32Å; E26-L209 WeakPolarHBondContact OE2-CD2 3.49Å |
| 27 | P | 87.8 | Confident | 78.3 | Confident | 115 Ų | 115 | 99 Ų | 99 | 75% | 0.747 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 142.1 | 175.5 | 25 | -32.6 | 0 | 0 | 0 | 110.4 | D29 | P27-D29 PolarHBondContact O-N 3.21Š|
| 28 | C | 88.9 | Confident | 80.2 | Confident | 43 Ų | 43 | 102.6 Ų | 102.6 | 29% | 0.291 | 59% | 0.585 | S | S | . | * | P | Polyproline II helix | trans | -73.5 | 120.6 | 178.5 | -62.8 | 0 | 0 | 0 | 0 | 110 | L33 C53 | C28-L33 HydrophobicContact CB-CD2 4.23Å; C28-L33 HydrophobicContact CB-CG 4.24Å; C28-C53 HydrophobicContact CB-CB 3.72Å; C28-C53 WeakPolarHBondContact CB-SG 2.96Å; C28-C53 WeakPolarHBondContact SG-CA 3.44Å; C28-C53 WeakPolarHBondContact SG-CB 3.08Å; C28-C53 CovalentContact SG-SG 2.03Å; C28-C53 PolarHBondContact SG-SG 3.38Å |
| 29 | D | 90.3 | Very high | 82 | Confident | 91 Ų | 91 | 100.6 Ų | 100.6 | 49% | 0.487 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -82.1 | 166.8 | 173.1 | 72.6 | -14.2 | 0 | 0 | 0 | 111.3 | P27 K31 A32 L33 | P27-D29 PolarHBondContact O-N 3.21Å; D29-K31 PolarHBondContact O-N 3.19Å; D29-A32 PolarHBondContact O-N 3.26Å; D29-A32 WeakPolarHBondContact OD1-CB 3.36Å; D29-A32 PolarHBondContact OD1-N 3.27Å; D29-L33 WeakPolarHBondContact O-CG 3.01Å; D29-L33 PolarHBondContact O-N 2.86Å; D29-L33 VanDerWaalsContact O-N 3.12Å |
| 30 | Q | 92.1 | Very high | 83.8 | Confident | 154 Ų | 154 | 93.1 Ų | 93.1 | 72% | 0.72 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.2 | -30.3 | -178.2 | -164.4 | 67.8 | 10 | 0 | 0 | 112.1 | S34 | Q30-S34 WeakPolarHBondContact O-CB 3.44Å; Q30-S34 PolarHBondContact O-N 3.41Å; Q30-S34 PolarHBondContact O-OG 3.13Å |
| 31 | K | 90.1 | Very high | 85.5 | Confident | 141 Ų | 141 | 97 Ų | 97 | 61% | 0.613 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -68.9 | -43.3 | 177.2 | -174 | -179.8 | 178.9 | 179.9 | 0 | 111.7 | D29 L33 S34 M35 | D29-K31 PolarHBondContact O-N 3.19Å; K31-L33 VanDerWaalsContact C-N 3.32Å; K31-S34 PolarHBondContact O-N 2.88Å; K31-S34 PolarHBondContact O-OG 2.99Å; K31-M35 HydrophobicContact CG-CE 4.36Å; K31-M35 WeakPolarHBondContact O-CE 3.35Å; K31-M35 WeakPolarHBondContact O-CG 3.43Å; K31-M35 PolarHBondContact O-N 2.72Å |
| 32 | A | 86.7 | Confident | 86.9 | Confident | 25 Ų | 25 | 95.3 Ų | 95.3 | 21% | 0.207 | 55% | 0.554 | C | S | . | * | H | α-helix | trans | -63.5 | -40.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | D29 M35 C53 | D29-A32 PolarHBondContact O-N 3.26Å; D29-A32 WeakPolarHBondContact OD1-CB 3.36Å; D29-A32 PolarHBondContact OD1-N 3.27Å; A32-M35 PolarHBondContact O-N 2.04Å; A32-C53 HydrophobicContact CB-CB 4.35Å |
| 33 | L | 89.5 | Confident | 87.9 | Confident | 75 Ų | 75 | 88.3 Ų | 88.3 | 39% | 0.393 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.7 | -37.3 | 178.1 | -67.4 | 170.3 | 0 | 0 | 0 | 112.5 | C28 D29 K31 M35 C36 C53 | C28-L33 HydrophobicContact CB-CD2 4.23Å; C28-L33 HydrophobicContact CB-CG 4.24Å; D29-L33 WeakPolarHBondContact O-CG 3.01Å; D29-L33 PolarHBondContact O-N 2.86Å; D29-L33 VanDerWaalsContact O-N 3.12Å; K31-L33 VanDerWaalsContact C-N 3.32Å; L33-M35 PolarHBondContact O-N 2.84Å; L33-C36 WeakPolarHBondContact O-CB 3.34Å; L33-C36 PolarHBondContact O-N 3.15Å; L33-C53 HydrophobicContact CD2-CB 4.25Å |
| 34 | S | 89.9 | Confident | 88.8 | Confident | 92 Ų | 92 | 88.6 Ų | 88.6 | 64% | 0.643 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -71.7 | -17.7 | 179 | 68.2 | 0 | 0 | 0 | 0 | 114 | Q30 K31 C36 | Q30-S34 WeakPolarHBondContact O-CB 3.44Å; Q30-S34 PolarHBondContact O-N 3.41Å; Q30-S34 PolarHBondContact O-OG 3.13Å; K31-S34 PolarHBondContact O-N 2.88Å; K31-S34 PolarHBondContact O-OG 2.99Å; S34-C36 VanDerWaalsContact C-N 3.33Å |
| 35 | M | 91 | Very high | 89.5 | Confident | 137 Ų | 137 | 88.5 Ų | 88.5 | 68% | 0.675 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -0.1 | 174.9 | -66.9 | -175.5 | -62.7 | 0 | 0 | 113.4 | K31 A32 L33 | K31-M35 HydrophobicContact CG-CE 4.36Å; K31-M35 WeakPolarHBondContact O-CE 3.35Å; K31-M35 WeakPolarHBondContact O-CG 3.43Å; K31-M35 PolarHBondContact O-N 2.72Å; A32-M35 PolarHBondContact O-N 2.04Å; L33-M35 PolarHBondContact O-N 2.84Å |
| 36 | C | 91.7 | Very high | 90 | Very high | 35 Ų | 35 | 87 Ų | 87 | 24% | 0.236 | 51% | 0.512 | C | S | . | . | S | Bend | trans | -69 | 144 | -179.3 | -71.9 | 0 | 0 | 0 | 0 | 112.2 | L33 S34 C54 | L33-C36 WeakPolarHBondContact O-CB 3.34Å; L33-C36 PolarHBondContact O-N 3.15Å; S34-C36 VanDerWaalsContact C-N 3.33Å; C36-C54 WeakPolarHBondContact CA-SG 3.48Å; C36-C54 HydrophobicContact CB-CB 3.69Å; C36-C54 WeakPolarHBondContact CB-SG 3.29Å; C36-C54 WeakPolarHBondContact SG-CA 3.47Å; C36-C54 WeakPolarHBondContact SG-CB 3.28Å; C36-C54 CovalentContact SG-SG 2.04Å; C36-C54 PolarHBondContact SG-SG 3.38Å |
| 37 | P | 90.3 | Very high | 90.3 | Very high | 78 Ų | 78 | 86.5 Ų | 86.5 | 51% | 0.506 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -63 | 159.9 | 171.3 | 29.6 | -34.9 | 0 | 0 | 0 | 110.4 | V39 | P37-V39 PolarHBondContact O-N 3.24Š|
| 38 | P | 90.6 | Very high | 90.4 | Very high | 120 Ų | 120 | 82.5 Ų | 82.5 | 78% | 0.779 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -53.9 | 137.9 | 175.2 | 21.9 | -32.4 | 0 | 0 | 0 | 110.7 | P40 | P38-P40 WeakPolarHBondContact O-CD 3.42Š|
| 39 | V | 87.4 | Confident | 90.3 | Very high | 83 Ų | 83 | 80.9 Ų | 80.9 | 50% | 0.503 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 123.5 | -176.2 | -179.3 | 0 | 0 | 0 | 0 | 108.9 | P37 L45 L55 | P37-V39 PolarHBondContact O-N 3.24Å; V39-L45 HydrophobicContact CG1-CD1 3.42Å; V39-L45 VanDerWaalsContact CG1-CD1 3.42Å; V39-L45 HydrophobicContact CG1-CD2 3.71Å; V39-L45 HydrophobicContact CG1-CG 4.22Å; V39-L55 HydrophobicContact CG1-CD1 4.44Å |
| 40 | P | 89.1 | Confident | 90 | Very high | 43 Ų | 43 | 79.3 Ų | 79.3 | 28% | 0.279 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 139.8 | 179.3 | -24.8 | 34.6 | 0 | 0 | 0 | 111.9 | P38 L45 C57 | P38-P40 WeakPolarHBondContact O-CD 3.42Å; P40-L45 HydrophobicContact CB-CD2 4.46Å; P40-L45 WeakPolarHBondContact O-CD2 3.3Å; P40-C57 WeakPolarHBondContact CB-SG 3.33Å |
| 41 | V | 90.9 | Very high | 89.7 | Confident | 139 Ų | 139 | 74.8 Ų | 74.8 | 84% | 0.842 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -104.5 | 152.1 | 176.1 | -64.3 | 0 | 0 | 0 | 0 | 110.7 | ||
| 42 | G | 90 | Very high | 89.5 | Confident | 91 Ų | 91 | 68.6 Ų | 68.6 | 94% | 0.938 | 43% | 0.434 | S | S | * | . | S | Bend | trans | 81.6 | 17.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 43 | C | 91.3 | Very high | 89.6 | Confident | 46 Ų | 46 | 68.9 Ų | 68.9 | 31% | 0.311 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -144.9 | 163.8 | 178 | 66.3 | 0 | 0 | 0 | 0 | 111.2 | L45 C57 | C43-L45 PolarHBondContact O-N 3.01Å; C43-C57 HydrophobicContact CB-CB 3.63Å; C43-C57 WeakPolarHBondContact CB-SG 3.21Å; C43-C57 WeakPolarHBondContact SG-CA 3.44Å; C43-C57 WeakPolarHBondContact SG-CB 3.15Å; C43-C57 CovalentContact SG-SG 2.03Å; C43-C57 PolarHBondContact SG-SG 3.33Å |
| 44 | Q | 93.4 | Very high | 89.7 | Confident | 100 Ų | 100 | 66.1 Ų | 66.1 | 47% | 0.467 | 42% | 0.42 | S | S | . | . | trans | -72.1 | 124 | 171.1 | -178.7 | 163.3 | -15.7 | 0 | 0 | 110 | A58 T73 | Q44-A58 HydrophobicContact CB-CB 4.24Å; Q44-A58 HydrophobicContact CG-CB 4.49Å; Q44-A58 WeakPolarHBondContact O-CB 3.06Å; Q44-A58 PolarHBondContact O-N 2.83Å; Q44-T73 PolarHBondContact NE2-OG1 2.98Å; Q44-T73 PolarHBondContact OE1-OG1 3.25Å | ||
| 45 | L | 93.8 | Very high | 89.8 | Confident | 74 Ų | 74 | 65.3 Ų | 65.3 | 39% | 0.387 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 134 | -178.9 | -65.9 | 174.4 | 0 | 0 | 0 | 111.5 | V39 P40 C43 L55 | V39-L45 HydrophobicContact CG1-CD1 3.42Å; V39-L45 VanDerWaalsContact CG1-CD1 3.42Å; V39-L45 HydrophobicContact CG1-CD2 3.71Å; V39-L45 HydrophobicContact CG1-CG 4.22Å; P40-L45 HydrophobicContact CB-CD2 4.46Å; P40-L45 WeakPolarHBondContact O-CD2 3.3Å; C43-L45 PolarHBondContact O-N 3.01Å; L45-L55 HydrophobicContact CD1-CD1 4.29Å; L45-L55 HydrophobicContact CD2-CB 4.4Å |
| 46 | V | 93.1 | Very high | 89.8 | Confident | 26 Ų | 26 | 60 Ų | 60 | 16% | 0.158 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 153.9 | 176.8 | -74.5 | 0 | 0 | 0 | 0 | 109.8 | L55 T56 A58 T71 | V46-L55 WeakPolarHBondContact O-CA 3.35Å; V46-T56 VanDerWaalsContact CG2-O 3.32Å; V46-T56 WeakPolarHBondContact CG2-O 3.32Å; V46-T56 PolarHBondContact N-O 2.83Å; V46-T56 PolarHBondContact O-N 3.45Å; V46-A58 HydrophobicContact CB-CB 4.32Å; V46-A58 HydrophobicContact CG1-CB 3.69Å; V46-A58 VanDerWaalsContact CG2-CA 3.49Å; V46-A58 HydrophobicContact CG2-CB 3.63Å; V46-T71 WeakPolarHBondContact CG2-OG1 2.98Å |
| 47 | K | 89.5 | Confident | 89.9 | Confident | 109 Ų | 109 | 60.9 Ų | 60.9 | 47% | 0.474 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 147.7 | 173.8 | -168.8 | 172.2 | 178 | 174.7 | 0 | 110 | G52 T71 | K47-G52 WeakPolarHBondContact CE-O 3.13Å; K47-T71 PolarHBondContact O-OG1 3.41Å |
| 48 | E | 88.3 | Confident | 90.2 | Very high | 30 Ų | 30 | 58 Ų | 58 | 14% | 0.14 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -53.5 | 146.6 | 171.6 | -52.5 | -152.9 | 123 | 0 | 0 | 112.4 | G52 C54 T56 R233 | E48-G52 WeakPolarHBondContact OE2-CA 3.39Å; E48-C54 HydrophobicContact CG-CB 3.81Å; E48-C54 WeakPolarHBondContact CG-O 3.01Å; E48-C54 PolarHBondContact N-O 2.03Å; E48-C54 VanDerWaalsContact N-O 3.15Å; E48-T56 HydrophobicContact CG-CG2 4.49Å; E48-R233 IonicContact OE1-CZ 2.85Å; E48-R233 IonicContact OE1-NE 3.6Å; E48-R233 IonicContact OE1-NH1 2.84Å; E48-R233 PolarHBondContact OE1-NH1 3.03Å; E48-R233 IonicContact OE1-NH2 2.89Å; E48-R233 PolarHBondContact OE1-NH2 3.34Å; E48-R233 IonicContact OE2-CZ 3.95Å; E48-R233 IonicContact OE2-NE 3.98Å |
| 49 | P | 86.7 | Confident | 90.4 | Very high | 10 Ų | 10 | 53.8 Ų | 53.8 | 7% | 0.065 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -57.6 | 149 | 172.6 | 25.5 | -38.5 | 0 | 0 | 0 | 112.5 | T69 T71 R233 | P49-T69 WeakPolarHBondContact CB-O 3.31Å; P49-T69 WeakPolarHBondContact CG-O 3.02Å; P49-T71 HydrophobicContact CB-CG2 4.21Å; P49-R233 HydrophobicContact CG-CB 4.35Å; P49-R233 HydrophobicContact CG-CG 3.83Å |
| 50 | G | 85.3 | Confident | 90.8 | Very high | 58 Ų | 58 | 53.2 Ų | 53.2 | 60% | 0.598 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | -130.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 51 | C | 85.1 | Confident | 91.1 | Very high | 59 Ų | 59 | 57.1 Ų | 57.1 | 40% | 0.399 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 23.9 | 178.2 | -58.4 | 0 | 0 | 0 | 0 | 113.1 | C25 | C25-C51 HydrophobicContact CB-CB 3.63Å; C25-C51 WeakPolarHBondContact CB-SG 3.43Å; C25-C51 WeakPolarHBondContact SG-CA 3.01Å; C25-C51 WeakPolarHBondContact SG-CB 3.37Å; C25-C51 CovalentContact SG-SG 2.04Å; C25-C51 PolarHBondContact SG-SG 3.04Å |
| 52 | G | 85.6 | Confident | 91.2 | Very high | 10 Ų | 10 | 52.9 Ų | 52.9 | 10% | 0.103 | 34% | 0.341 | C | S | . | . | trans | -68.3 | 149 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | K47 E48 | K47-G52 WeakPolarHBondContact CE-O 3.13Å; E48-G52 WeakPolarHBondContact OE2-CA 3.39Å | ||
| 53 | C | 90 | Very high | 91.5 | Very high | 32 Ų | 32 | 52.7 Ų | 52.7 | 22% | 0.216 | 32% | 0.316 | C | S | . | . | trans | -97.4 | -14.4 | -170.7 | -69.5 | 0 | 0 | 0 | 0 | 114.4 | C28 A32 L33 | C28-C53 HydrophobicContact CB-CB 3.72Å; C28-C53 WeakPolarHBondContact CB-SG 2.96Å; C28-C53 WeakPolarHBondContact SG-CA 3.44Å; C28-C53 WeakPolarHBondContact SG-CB 3.08Å; C28-C53 CovalentContact SG-SG 2.03Å; C28-C53 PolarHBondContact SG-SG 3.38Å; A32-C53 HydrophobicContact CB-CB 4.35Å; L33-C53 HydrophobicContact CD2-CB 4.25Å | ||
| 54 | C | 90.9 | Very high | 91.7 | Very high | 16 Ų | 16 | 53.3 Ų | 53.3 | 11% | 0.108 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -91.9 | 178 | -172.9 | -48.2 | 0 | 0 | 0 | 0 | 113.2 | C36 E48 | C36-C54 WeakPolarHBondContact CA-SG 3.48Å; C36-C54 HydrophobicContact CB-CB 3.69Å; C36-C54 WeakPolarHBondContact CB-SG 3.29Å; C36-C54 WeakPolarHBondContact SG-CA 3.47Å; C36-C54 WeakPolarHBondContact SG-CB 3.28Å; C36-C54 CovalentContact SG-SG 2.04Å; C36-C54 PolarHBondContact SG-SG 3.38Å; E48-C54 HydrophobicContact CG-CB 3.81Å; E48-C54 WeakPolarHBondContact CG-O 3.01Å; E48-C54 PolarHBondContact N-O 2.03Å; E48-C54 VanDerWaalsContact N-O 3.15Å |
| 55 | L | 91.8 | Very high | 91.8 | Very high | 75 Ų | 75 | 48.6 Ų | 48.6 | 39% | 0.393 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 143.1 | 174.5 | -63.8 | 175.4 | 0 | 0 | 0 | 110.3 | V39 L45 V46 | V39-L55 HydrophobicContact CG1-CD1 4.44Å; L45-L55 HydrophobicContact CD1-CD1 4.29Å; L45-L55 HydrophobicContact CD2-CB 4.4Å; V46-L55 WeakPolarHBondContact O-CA 3.35Å |
| 56 | T | 91.9 | Very high | 91.8 | Very high | 27 Ų | 27 | 45.6 Ų | 45.6 | 17% | 0.166 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 165.7 | 173.6 | 52 | 0 | 0 | 0 | 0 | 111.8 | V46 E48 R233 | V46-T56 VanDerWaalsContact CG2-O 3.32Å; V46-T56 WeakPolarHBondContact CG2-O 3.32Å; V46-T56 PolarHBondContact N-O 2.83Å; V46-T56 PolarHBondContact O-N 3.45Å; E48-T56 HydrophobicContact CG-CG2 4.49Å; T56-R233 PolarHBondContact OG1-NH2 3.06Å |
| 57 | C | 93.9 | Very high | 91.7 | Very high | 53 Ų | 53 | 48 Ų | 48 | 36% | 0.358 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 137.1 | 169.7 | -67.3 | 0 | 0 | 0 | 0 | 111.3 | P40 C43 | P40-C57 WeakPolarHBondContact CB-SG 3.33Å; C43-C57 HydrophobicContact CB-CB 3.63Å; C43-C57 WeakPolarHBondContact CB-SG 3.21Å; C43-C57 WeakPolarHBondContact SG-CA 3.44Å; C43-C57 WeakPolarHBondContact SG-CB 3.15Å; C43-C57 CovalentContact SG-SG 2.03Å; C43-C57 PolarHBondContact SG-SG 3.33Å |
| 58 | A | 95 | Very high | 91.6 | Very high | 16 Ų | 16 | 45.6 Ų | 45.6 | 13% | 0.132 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 148.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q44 V46 T71 | Q44-A58 HydrophobicContact CB-CB 4.24Å; Q44-A58 HydrophobicContact CG-CB 4.49Å; Q44-A58 WeakPolarHBondContact O-CB 3.06Å; Q44-A58 PolarHBondContact O-N 2.83Å; V46-A58 HydrophobicContact CB-CB 4.32Å; V46-A58 HydrophobicContact CG1-CB 3.69Å; V46-A58 VanDerWaalsContact CG2-CA 3.49Å; V46-A58 HydrophobicContact CG2-CB 3.63Å; A58-T71 CarbonylContact C-O 3.46Å; A58-T71 VanDerWaalsContact CA-O 3.3Å; A58-T71 WeakPolarHBondContact CA-O 3.45Å |
| 59 | L | 95.6 | Very high | 91.8 | Very high | 33 Ų | 33 | 46.1 Ų | 46.1 | 17% | 0.173 | 30% | 0.298 | C | S | . | . | B | Isolated β-bridge | trans | -76.5 | 135 | 170.5 | -59.7 | 178.2 | 0 | 0 | 0 | 110.6 | Q63 A64 C65 G70 T71 T73 C98 | L59-Q63 HydrophobicContact CB-CB 4.28Å; L59-A64 WeakPolarHBondContact CD1-O 3.33Å; L59-C65 HydrophobicContact CD1-CB 3.77Å; L59-G70 WeakPolarHBondContact CD1-O 3.19Å; L59-T71 PolarHBondContact N-O 3.33Å; L59-T73 WeakPolarHBondContact O-CB 3.48Å; L59-T73 PolarHBondContact O-N 3.44Å; L59-C98 VanDerWaalsContact CB-SG 3.51Å |
| 60 | S | 95.3 | Very high | 91.9 | Very high | 70 Ų | 70 | 47 Ų | 47 | 49% | 0.49 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -75.6 | 166.7 | 175.6 | -49.8 | 0 | 0 | 0 | 0 | 112.2 | Q63 C98 | S60-Q63 WeakPolarHBondContact O-CB 3.06Å; S60-Q63 PolarHBondContact O-N 3.19Å; S60-C98 WeakPolarHBondContact O-CB 3.05Å |
| 61 | E | 94.9 | Very high | 92.3 | Very high | 126 Ų | 126 | 46.1 Ų | 46.1 | 59% | 0.589 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 139.5 | 174.7 | -167.6 | 168.7 | -161.2 | 0 | 0 | 111.8 | Q63 L76 C98 | E61-Q63 PolarHBondContact O-N 3.15Å; E61-L76 VanDerWaalsContact CA-CD1 3.49Å; E61-L76 HydrophobicContact CB-CD1 3.68Å; E61-L76 HydrophobicContact CG-CD1 4.21Å; E61-C98 WeakPolarHBondContact CA-O 3.3Å |
| 62 | G | 93.3 | Very high | 92.8 | Very high | 49 Ų | 49 | 44.2 Ų | 44.2 | 51% | 0.505 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | -14.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | C98 | G62-C98 PolarHBondContact N-O 3.34Š|
| 63 | Q | 96.4 | Very high | 93.1 | Very high | 88 Ų | 88 | 45.1 Ų | 45.1 | 41% | 0.411 | 28% | 0.282 | S | S | . | . | trans | -69.7 | 146.6 | 178.1 | -68.1 | -168.2 | -54.4 | 0 | 0 | 112.3 | L59 S60 E61 V97 C98 | L59-Q63 HydrophobicContact CB-CB 4.28Å; S60-Q63 WeakPolarHBondContact O-CB 3.06Å; S60-Q63 PolarHBondContact O-N 3.19Å; E61-Q63 PolarHBondContact O-N 3.15Å; Q63-V97 WeakPolarHBondContact O-CA 3.03Å; Q63-C98 PolarHBondContact O-N 3.25Å | ||
| 64 | A | 96.4 | Very high | 93.2 | Very high | 59 Ų | 59 | 51.5 Ų | 51.5 | 49% | 0.488 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 136.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L59 G96 | L59-A64 WeakPolarHBondContact CD1-O 3.33Å; A64-G96 CarbonylContact C-O 3.43Å; A64-G96 VanDerWaalsContact CA-O 3.29Å; A64-G96 WeakPolarHBondContact CA-O 3.42Å |
| 65 | C | 95.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 168.3 | -176.4 | 69.1 | 0 | 0 | 0 | 0 | 112.1 | L59 T69 C78 G94 G96 V97 C98 | L59-C65 HydrophobicContact CD1-CB 3.77Å; C65-T69 VanDerWaalsContact CA-OG1 3.28Å; C65-T69 WeakPolarHBondContact CA-OG1 3.48Å; C65-C78 HydrophobicContact CB-CB 3.88Å; C65-C78 WeakPolarHBondContact CB-SG 2.77Å; C65-C78 PolarHBondContact O-SG 2.94Å; C65-C78 WeakPolarHBondContact SG-CA 3.43Å; C65-C78 WeakPolarHBondContact SG-CB 2.94Å; C65-C78 CovalentContact SG-SG 2.03Å; C65-C78 PolarHBondContact SG-SG 2.03Å; C65-G94 CarbonylContact O-C 3.45Å; C65-G94 VanDerWaalsContact O-CA 3.31Å; C65-G94 WeakPolarHBondContact O-CA 3.39Å; C65-G96 PolarHBondContact N-O 3.26Å; C65-G96 CarbonylContact O-C 3.56Å; C65-G96 WeakPolarHBondContact O-CA 2.98Å; C65-G96 PolarHBondContact O-N 3.26Å; C65-V97 PolarHBondContact SG-N 3.45Å; C65-V97 VanDerWaalsContact SG-N 3.35Å; C65-C98 PolarHBondContact SG-N 3.22Å |
| 66 | G | 93.4 | Very high | 93.2 | Very high | 12 Ų | 12 | 51.2 Ų | 51.2 | 12% | 0.124 | 32% | 0.32 | C | S | . | . | trans | -173.2 | -171.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y68 T69 C78 L91 | G66-Y68 VanDerWaalsContact C-N 3.25Å; G66-Y68 PolarHBondContact O-N 3.43Å; G66-T69 PolarHBondContact N-OG1 3.35Å; G66-T69 PolarHBondContact O-N 2.81Å; G66-T69 PolarHBondContact O-OG1 3.48Å; G66-T69 VanDerWaalsContact O-OG1 3.13Å; G66-C78 PolarHBondContact N-SG 2.96Å; G66-L91 CarbonylContact C-O 3.53Å; G66-L91 WeakPolarHBondContact CA-O 3.48Å | ||
| 67 | V | 91 | Very high | 93.2 | Very high | 75 Ų | 75 | 56 Ų | 56 | 46% | 0.455 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -32.7 | -177 | 178.1 | 0 | 0 | 0 | 0 | 112.4 | L91 L92 | V67-L91 HydrophobicContact CG2-CB 4.28Å; V67-L91 PolarHBondContact N-O 3.43Å; V67-L92 HydrophobicContact CB-CD2 4.18Å; V67-L92 HydrophobicContact CG1-CD2 4.39Å; V67-L92 HydrophobicContact CG2-CD2 3.96Å; V67-L92 HydrophobicContact CG2-CG 4.47Å |
| 68 | Y | 87.9 | Confident | 93.2 | Very high | 60 Ų | 60 | 55.2 Ų | 55.2 | 24% | 0.235 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | 11 | -175.3 | -54.3 | -65.9 | 0 | 0 | 0 | 113.3 | G66 L92 S230 R233 R235 | G66-Y68 VanDerWaalsContact C-N 3.25Å; G66-Y68 PolarHBondContact O-N 3.43Å; Y68-L92 HydrophobicContact CE2-CD2 3.8Å; Y68-S230 WeakPolarHBondContact CE1-OG 3.4Å; Y68-S230 PolarHBondContact OH-OG 2.83Å; Y68-R233 WeakPolarHBondContact CD1-O 3.49Å; Y68-R235 HydrophobicContact CD2-CB 4.22Å; Y68-R235 HydrophobicContact CD2-CG 4.48Å; Y68-R235 HydrophobicContact CE1-CB 4.26Å; Y68-R235 HydrophobicContact CE2-CB 3.93Å; Y68-R235 HydrophobicContact CE2-CG 3.78Å |
| 69 | T | 91.1 | Very high | 93.2 | Very high | 41 Ų | 41 | 55.9 Ų | 55.9 | 25% | 0.252 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -100.4 | -178.4 | 179.9 | 72.3 | 0 | 0 | 0 | 0 | 111.1 | P49 C65 G66 | P49-T69 WeakPolarHBondContact CB-O 3.31Å; P49-T69 WeakPolarHBondContact CG-O 3.02Å; C65-T69 VanDerWaalsContact CA-OG1 3.28Å; C65-T69 WeakPolarHBondContact CA-OG1 3.48Å; G66-T69 PolarHBondContact N-OG1 3.35Å; G66-T69 PolarHBondContact O-N 2.81Å; G66-T69 PolarHBondContact O-OG1 3.48Å; G66-T69 VanDerWaalsContact O-OG1 3.13Å |
| 70 | G | 90.5 | Very high | 93.1 | Very high | 29 Ų | 29 | 54.7 Ų | 54.7 | 30% | 0.299 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -52.7 | 153.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113 | L59 | L59-G70 WeakPolarHBondContact CD1-O 3.19Š|
| 71 | T | 92.9 | Very high | 92.8 | Very high | 39 Ų | 39 | 57.7 Ų | 57.7 | 24% | 0.239 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -86.5 | 136.9 | -179.5 | 32.7 | 0 | 0 | 0 | 0 | 110.1 | V46 K47 P49 A58 L59 | V46-T71 WeakPolarHBondContact CG2-OG1 2.98Å; K47-T71 PolarHBondContact O-OG1 3.41Å; P49-T71 HydrophobicContact CB-CG2 4.21Å; A58-T71 CarbonylContact C-O 3.46Å; A58-T71 VanDerWaalsContact CA-O 3.3Å; A58-T71 WeakPolarHBondContact CA-O 3.45Å; L59-T71 PolarHBondContact N-O 3.33Å |
| 72 | C | 94.9 | Very high | 92.4 | Very high | 19 Ų | 19 | 57 Ų | 57 | 13% | 0.128 | 33% | 0.326 | C | S | . | . | B | Isolated β-bridge | trans | -66 | 154.3 | 177.4 | -56.7 | 0 | 0 | 0 | 0 | 111.5 | L76 C98 | C72-L76 HydrophobicContact CB-CB 3.91Å; C72-C98 VanDerWaalsContact CA-SG 3.58Å; C72-C98 HydrophobicContact CB-CB 3.77Å; C72-C98 WeakPolarHBondContact CB-SG 3.08Å; C72-C98 WeakPolarHBondContact SG-CA 3.15Å; C72-C98 WeakPolarHBondContact SG-CB 3.25Å; C72-C98 CovalentContact SG-SG 2.04Å; C72-C98 PolarHBondContact SG-SG 2.73Å |
| 73 | T | 93.3 | Very high | 92 | Very high | 28 Ų | 28 | 56.9 Ų | 56.9 | 17% | 0.172 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -63 | 161.1 | 175.3 | -163.9 | 0 | 0 | 0 | 0 | 112.5 | Q44 L59 G75 L76 | Q44-T73 PolarHBondContact NE2-OG1 2.98Å; Q44-T73 PolarHBondContact OE1-OG1 3.25Å; L59-T73 WeakPolarHBondContact O-CB 3.48Å; L59-T73 PolarHBondContact O-N 3.44Å; T73-G75 PolarHBondContact O-N 3.3Å; T73-L76 HydrophobicContact CG2-CB 4.5Å; T73-L76 HydrophobicContact CG2-CD1 3.61Å; T73-L76 HydrophobicContact CG2-CG 3.84Å; T73-L76 PolarHBondContact O-N 3.24Å |
| 74 | H | 90.9 | Very high | 91.4 | Very high | 166 Ų | 166 | 55.1 Ų | 55.1 | 77% | 0.769 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 134.2 | -177.8 | -178.1 | -89.7 | 0 | 0 | 0 | 111.3 | L76 | H74-L76 VanDerWaalsContact C-N 3.31Š|
| 75 | G | 89.9 | Confident | 91 | Very high | 56 Ų | 56 | 60.6 Ų | 60.6 | 58% | 0.577 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.3 | -9.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | T73 | T73-G75 PolarHBondContact O-N 3.3Š|
| 76 | L | 92.6 | Very high | 90.7 | Very high | 30 Ų | 30 | 66.6 Ų | 66.6 | 16% | 0.157 | 36% | 0.358 | C | S | . | . | trans | -105.8 | 151 | 172.2 | -55.6 | -172.2 | 0 | 0 | 0 | 111.2 | E61 C72 T73 H74 C98 | E61-L76 VanDerWaalsContact CA-CD1 3.49Å; E61-L76 HydrophobicContact CB-CD1 3.68Å; E61-L76 HydrophobicContact CG-CD1 4.21Å; C72-L76 HydrophobicContact CB-CB 3.91Å; T73-L76 HydrophobicContact CG2-CB 4.5Å; T73-L76 HydrophobicContact CG2-CD1 3.61Å; T73-L76 HydrophobicContact CG2-CG 3.84Å; T73-L76 PolarHBondContact O-N 3.24Å; H74-L76 VanDerWaalsContact C-N 3.31Å; L76-C98 HydrophobicContact CB-CB 4.46Å; L76-C98 HydrophobicContact CD1-CB 4.06Å | ||
| 77 | R | 93.5 | Very high | 90.5 | Very high | 127 Ų | 127 | 67.4 Ų | 67.4 | 48% | 0.479 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 151.5 | 169.6 | -69.9 | -165.9 | -179.7 | 156.8 | 10.7 | 110 | L79 C98 T99 E101 | R77-L79 HydrophobicContact CB-CD2 3.95Å; R77-L79 HydrophobicContact CB-CG 4.07Å; R77-L79 PolarHBondContact O-N 3.48Å; R77-C98 WeakPolarHBondContact O-CA 3.47Å; R77-T99 PolarHBondContact N-O 3.24Å; R77-T99 PolarHBondContact O-N 3.33Å; R77-T99 VanDerWaalsContact O-O 3.14Å; R77-E101 HydrophobicContact CG-CG 4.19Å; R77-E101 IonicContact CZ-OE1 2.66Å; R77-E101 IonicContact CZ-OE2 2.95Å; R77-E101 VanDerWaalsContact CZ-OE2 3.25Å; R77-E101 IonicContact NE-OE1 3.42Å; R77-E101 PolarHBondContact NE-OE1 3.3Å; R77-E101 IonicContact NH1-OE1 3.58Å; R77-E101 PolarHBondContact NH1-OE1 2.95Å; R77-E101 IonicContact NH1-OE2 2.71Å; R77-E101 PolarHBondContact NH1-OE2 3.15Å; R77-E101 VanDerWaalsContact NH2-CD 3.34Å; R77-E101 IonicContact NH2-OE1 3.13Å; R77-E101 PolarHBondContact NH2-OE1 2.71Å; R77-E101 IonicContact NH2-OE2 3.35Å; R77-E101 PolarHBondContact NH2-OE2 3.37Å |
| 78 | C | 94.1 | Very high | 90.5 | Very high | 37 Ų | 37 | 67.4 Ų | 67.4 | 25% | 0.25 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 104.2 | 170.4 | -173.5 | 0 | 0 | 0 | 0 | 109.6 | C65 G66 | C65-C78 HydrophobicContact CB-CB 3.88Å; C65-C78 WeakPolarHBondContact CB-SG 2.77Å; C65-C78 PolarHBondContact O-SG 2.94Å; C65-C78 WeakPolarHBondContact SG-CA 3.43Å; C65-C78 WeakPolarHBondContact SG-CB 2.94Å; C65-C78 CovalentContact SG-SG 2.03Å; C65-C78 PolarHBondContact SG-SG 2.03Å; G66-C78 PolarHBondContact N-SG 2.96Å |
| 79 | L | 93.6 | Very high | 90.5 | Very high | 29 Ų | 29 | 68.6 Ų | 68.6 | 15% | 0.152 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 148.4 | -176.3 | -58.3 | -178.5 | 0 | 0 | 0 | 111.2 | R77 G96 V97 T99 Y104 | R77-L79 HydrophobicContact CB-CD2 3.95Å; R77-L79 HydrophobicContact CB-CG 4.07Å; R77-L79 PolarHBondContact O-N 3.48Å; L79-G96 CarbonylContact O-C 3.47Å; L79-G96 WeakPolarHBondContact O-CA 3.4Å; L79-V97 PolarHBondContact N-O 2.91Å; L79-V97 PolarHBondContact O-N 2.86Å; L79-T99 HydrophobicContact CB-CG2 3.88Å; L79-T99 HydrophobicContact CD1-CG2 3.77Å; L79-T99 HydrophobicContact CG-CG2 4.05Å; L79-Y104 HydrophobicContact CB-CD2 4.41Å; L79-Y104 HydrophobicContact CD1-CG 4.39Å |
| 80 | P | 93.4 | Very high | 90.5 | Very high | 9 Ų | 9 | 66.6 Ų | 66.6 | 6% | 0.058 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 152.2 | 171.4 | -14.7 | 27.5 | 0 | 0 | 0 | 110.8 | P87 L91 Y104 L138 | P80-P87 HydrophobicContact CB-CB 3.71Å; P80-P87 HydrophobicContact CG-CB 3.58Å; P80-L91 HydrophobicContact CG-CD1 3.89Å; P80-L91 HydrophobicContact CG-CD2 4.29Å; P80-L91 HydrophobicContact CG-CG 3.95Å; P80-Y104 HydrophobicContact CB-CE2 4.23Å; P80-Y104 HydrophobicContact CG-CE2 4.23Å; P80-L138 HydrophobicContact CG-CD1 4.21Å; P80-L138 HydrophobicContact CG-CD2 4.17Å |
| 81 | R | 90.4 | Very high | 90.6 | Very high | 132 Ų | 132 | 66.4 Ų | 66.4 | 50% | 0.498 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 149.6 | 172 | -66.2 | 175.8 | -179.1 | -98.9 | -1.5 | 110.5 | G83 E84 R95 V97 | R81-G83 PolarHBondContact O-N 3.23Å; R81-E84 HydrophobicContact CB-CG 4.08Å; R81-E84 WeakPolarHBondContact O-CG 3.48Å; R81-E84 PolarHBondContact O-N 3.03Å; R81-R95 PolarHBondContact NE-O 3.44Å; R81-V97 HydrophobicContact CG-CG2 3.98Å; R81-V97 VanDerWaalsContact CZ-CG2 3.45Å |
| 82 | N | 85.8 | Confident | 90.4 | Very high | 111 Ų | 111 | 67.3 Ų | 67.3 | 59% | 0.594 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 134 | 173.8 | -66.1 | -29.6 | 0 | 0 | 0 | 109.5 | ||
| 83 | G | 83.8 | Confident | 90.2 | Very high | 47 Ų | 47 | 70.2 Ų | 70.2 | 49% | 0.485 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.3 | -3.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | R81 E85 L107 | R81-G83 PolarHBondContact O-N 3.23Å; G83-E85 PolarHBondContact O-N 2.96Å; G83-L107 VanDerWaalsContact N-CD1 3.33Å |
| 84 | E | 85.6 | Confident | 90.1 | Very high | 51 Ų | 51 | 69.8 Ų | 69.8 | 24% | 0.238 | 36% | 0.362 | C | S | . | . | trans | -66.7 | 118.5 | 177.1 | -78.8 | -84.8 | -172.3 | 0 | 0 | 111.5 | R81 K86 P87 A90 R95 | R81-E84 HydrophobicContact CB-CG 4.08Å; R81-E84 WeakPolarHBondContact O-CG 3.48Å; R81-E84 PolarHBondContact O-N 3.03Å; E84-K86 VanDerWaalsContact C-N 3.29Å; E84-K86 PolarHBondContact O-N 3.37Å; E84-P87 HydrophobicContact CB-CG 4.45Å; E84-P87 WeakPolarHBondContact O-CD 3.48Å; E84-P87 VanDerWaalsContact O-CG 3.3Å; E84-P87 WeakPolarHBondContact O-CG 3.26Å; E84-A90 HydrophobicContact CG-CB 4.07Å; E84-R95 IonicContact OE1-NE 3.37Å; E84-R95 PolarHBondContact OE1-NE 3.11Å; E84-R95 IonicContact OE1-NH2 3.9Å; E84-R95 IonicContact OE2-NH2 3.37Å; E84-R95 PolarHBondContact OE2-NH2 3.26Å | ||
| 85 | E | 87.2 | Confident | 90.3 | Very high | 175 Ų | 175 | 66.5 Ų | 66.5 | 82% | 0.818 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -66.5 | -31.3 | 177.6 | -63.2 | -172.8 | 167.6 | 0 | 0 | 113 | G83 P87 | G83-E85 PolarHBondContact O-N 2.96Å; E85-P87 VanDerWaalsContact C-CD 3.46Å; E85-P87 WeakPolarHBondContact O-CD 3.05Å |
| 86 | K | 88.1 | Confident | 90.5 | Very high | 126 Ų | 126 | 63.8 Ų | 63.8 | 55% | 0.548 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -124.4 | 71.1 | -179.8 | -63.4 | 177.9 | -174.7 | 168.1 | 0 | 110.4 | E84 L88 H89 A90 | E84-K86 VanDerWaalsContact C-N 3.29Å; E84-K86 PolarHBondContact O-N 3.37Å; K86-L88 PolarHBondContact O-N 3.2Å; K86-H89 HydrophobicContact CB-CB 3.79Å; K86-H89 WeakPolarHBondContact O-CA 3.05Å; K86-H89 WeakPolarHBondContact O-CB 3.19Å; K86-H89 PolarHBondContact O-N 2.89Å; K86-A90 PolarHBondContact O-N 2.04Å |
| 87 | P | 90.6 | Very high | 90.7 | Very high | 28 Ų | 28 | 63.4 Ų | 63.4 | 18% | 0.182 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.6 | -40.4 | -170.2 | -26.1 | 34.7 | 0 | 0 | 0 | 114.7 | P80 E84 E85 H89 A90 L91 L138 | P80-P87 HydrophobicContact CB-CB 3.71Å; P80-P87 HydrophobicContact CG-CB 3.58Å; E84-P87 HydrophobicContact CB-CG 4.45Å; E84-P87 WeakPolarHBondContact O-CD 3.48Å; E84-P87 VanDerWaalsContact O-CG 3.3Å; E84-P87 WeakPolarHBondContact O-CG 3.26Å; E85-P87 VanDerWaalsContact C-CD 3.46Å; E85-P87 WeakPolarHBondContact O-CD 3.05Å; P87-H89 VanDerWaalsContact C-N 3.31Å; P87-H89 PolarHBondContact O-N 3.25Å; P87-A90 WeakPolarHBondContact O-CB 3.03Å; P87-A90 PolarHBondContact O-N 2.03Å; P87-L91 PolarHBondContact O-N 2.87Å; P87-L91 VanDerWaalsContact O-N 3.11Å; P87-L138 HydrophobicContact CB-CD1 3.52Å; P87-L138 HydrophobicContact CB-CD2 3.87Å; P87-L138 HydrophobicContact CB-CG 4.06Å; P87-L138 HydrophobicContact CG-CD1 3.9Å |
| 88 | L | 90.2 | Very high | 90.8 | Very high | 76 Ų | 76 | 57.4 Ų | 57.4 | 40% | 0.398 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.5 | -38 | 176.3 | -71.1 | 174.3 | 0 | 0 | 0 | 111.8 | K86 A90 L91 L92 V136 L138 | K86-L88 PolarHBondContact O-N 3.2Å; L88-A90 VanDerWaalsContact C-N 3.35Å; L88-L91 PolarHBondContact O-N 2.88Å; L88-L92 WeakPolarHBondContact O-CG 3Å; L88-L92 PolarHBondContact O-N 3.4Å; L88-L92 VanDerWaalsContact O-N 3.09Å; L88-V136 HydrophobicContact CD1-CB 3.76Å; L88-V136 HydrophobicContact CD1-CG1 4.25Å; L88-V136 WeakPolarHBondContact CD1-O 3.46Å; L88-L138 HydrophobicContact CD2-CD2 3.46Å; L88-L138 VanDerWaalsContact CD2-CD2 3.46Å; L88-L138 HydrophobicContact CG-CD2 3.72Å |
| 89 | H | 87.9 | Confident | 90.7 | Very high | 84 Ų | 84 | 57.2 Ų | 57.2 | 39% | 0.389 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.9 | -39 | 176.6 | -164.1 | 79.8 | 0 | 0 | 0 | 110.7 | K86 P87 L91 L92 H93 | K86-H89 HydrophobicContact CB-CB 3.79Å; K86-H89 WeakPolarHBondContact O-CA 3.05Å; K86-H89 WeakPolarHBondContact O-CB 3.19Å; K86-H89 PolarHBondContact O-N 2.89Å; P87-H89 VanDerWaalsContact C-N 3.31Å; P87-H89 PolarHBondContact O-N 3.25Å; H89-L91 PolarHBondContact O-N 3.49Å; H89-L92 PolarHBondContact O-N 2.81Å; H89-H93 AromaticContact CD2-CD2 3.82Å; H89-H93 AromaticContact CE1-CD2 3.77Å; H89-H93 AromaticContact CE1-NE2 3.4Å; H89-H93 PolarHBondContact CE1-NE2 2.86Å; H89-H93 AromaticContact NE2-CD2 3.57Å; H89-H93 AromaticContact NE2-NE2 3.43Å; H89-H93 PolarHBondContact NE2-NE2 2.04Å; H89-H93 PolarHBondContact O-CD2 3.48Å; H89-H93 PolarHBondContact O-N 3.37Å |
| 90 | A | 90.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.8 | -46 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E84 K86 P87 L88 L92 H93 G94 R95 | E84-A90 HydrophobicContact CG-CB 4.07Å; K86-A90 PolarHBondContact O-N 2.04Å; P87-A90 WeakPolarHBondContact O-CB 3.03Å; P87-A90 PolarHBondContact O-N 2.03Å; L88-A90 VanDerWaalsContact C-N 3.35Å; A90-L92 PolarHBondContact O-N 3.21Å; A90-H93 CarbonylContact O-C 3.55Å; A90-H93 PolarHBondContact O-N 3.37Å; A90-H93 VanDerWaalsContact O-N 3.15Å; A90-G94 PolarHBondContact O-N 3.43Å; A90-R95 HydrophobicContact CB-CB 4.17Å; A90-R95 PolarHBondContact O-N 3.09Å |
| 91 | L | 92.3 | Very high | 89.6 | Confident | 24 Ų | 24 | 63.6 Ų | 63.6 | 13% | 0.126 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.4 | -38.4 | 176.6 | -67.5 | 175.1 | 0 | 0 | 0 | 113 | G66 V67 P80 P87 L88 H89 H93 G94 | G66-L91 CarbonylContact C-O 3.53Å; G66-L91 WeakPolarHBondContact CA-O 3.48Å; V67-L91 HydrophobicContact CG2-CB 4.28Å; V67-L91 PolarHBondContact N-O 3.43Å; P80-L91 HydrophobicContact CG-CD1 3.89Å; P80-L91 HydrophobicContact CG-CD2 4.29Å; P80-L91 HydrophobicContact CG-CG 3.95Å; P87-L91 PolarHBondContact O-N 2.87Å; P87-L91 VanDerWaalsContact O-N 3.11Å; L88-L91 PolarHBondContact O-N 2.88Å; H89-L91 PolarHBondContact O-N 3.49Å; L91-H93 PolarHBondContact O-N 3.45Å; L91-G94 PolarHBondContact O-N 3.49Å |
| 92 | L | 89.4 | Confident | 88.7 | Confident | 59 Ų | 59 | 66.7 Ų | 66.7 | 31% | 0.309 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.6 | -22.2 | 175.8 | -73.8 | 169.6 | 0 | 0 | 0 | 113 | V67 Y68 L88 H89 A90 R235 | V67-L92 HydrophobicContact CB-CD2 4.18Å; V67-L92 HydrophobicContact CG1-CD2 4.39Å; V67-L92 HydrophobicContact CG2-CD2 3.96Å; V67-L92 HydrophobicContact CG2-CG 4.47Å; Y68-L92 HydrophobicContact CE2-CD2 3.8Å; L88-L92 WeakPolarHBondContact O-CG 3Å; L88-L92 PolarHBondContact O-N 3.4Å; L88-L92 VanDerWaalsContact O-N 3.09Å; H89-L92 PolarHBondContact O-N 2.81Å; A90-L92 PolarHBondContact O-N 3.21Å; L92-R235 PolarHBondContact O-NH1 3.2Å |
| 93 | H | 89.9 | Confident | 87.4 | Confident | 79 Ų | 79 | 63.1 Ų | 63.1 | 37% | 0.366 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 13 | 179.8 | -74.6 | -96.9 | 0 | 0 | 0 | 113.1 | H89 A90 L91 R95 R235 | H89-H93 AromaticContact CD2-CD2 3.82Å; H89-H93 AromaticContact CE1-CD2 3.77Å; H89-H93 AromaticContact CE1-NE2 3.4Å; H89-H93 PolarHBondContact CE1-NE2 2.86Å; H89-H93 AromaticContact NE2-CD2 3.57Å; H89-H93 AromaticContact NE2-NE2 3.43Å; H89-H93 PolarHBondContact NE2-NE2 2.04Å; H89-H93 PolarHBondContact O-CD2 3.48Å; H89-H93 PolarHBondContact O-N 3.37Å; A90-H93 CarbonylContact O-C 3.55Å; A90-H93 PolarHBondContact O-N 3.37Å; A90-H93 VanDerWaalsContact O-N 3.15Å; L91-H93 PolarHBondContact O-N 3.45Å; H93-R95 VanDerWaalsContact C-N 3.27Å; H93-R95 PolarHBondContact O-N 3.33Å; H93-R235 PolarHBondContact NE2-NH1 3.25Å |
| 94 | G | 92.8 | Very high | 86.5 | Confident | 20 Ų | 20 | 63.4 Ų | 63.4 | 21% | 0.206 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | 16.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | C65 A90 L91 G96 | C65-G94 CarbonylContact O-C 3.45Å; C65-G94 VanDerWaalsContact O-CA 3.31Å; C65-G94 WeakPolarHBondContact O-CA 3.39Å; A90-G94 PolarHBondContact O-N 3.43Å; L91-G94 PolarHBondContact O-N 3.49Å; G94-G96 VanDerWaalsContact C-N 3.35Å |
| 95 | R | 94.4 | Very high | 85.5 | Confident | 96 Ų | 96 | 69.1 Ų | 69.1 | 36% | 0.362 | 34% | 0.336 | S | S | . | . | trans | -89.8 | 1.7 | -179.6 | -60 | -160.5 | -55 | -91.5 | 3.9 | 114.2 | R81 E84 A90 H93 | R81-R95 PolarHBondContact NE-O 3.44Å; E84-R95 IonicContact OE1-NE 3.37Å; E84-R95 PolarHBondContact OE1-NE 3.11Å; E84-R95 IonicContact OE1-NH2 3.9Å; E84-R95 IonicContact OE2-NH2 3.37Å; E84-R95 PolarHBondContact OE2-NH2 3.26Å; A90-R95 HydrophobicContact CB-CB 4.17Å; A90-R95 PolarHBondContact O-N 3.09Å; H93-R95 VanDerWaalsContact C-N 3.27Å; H93-R95 PolarHBondContact O-N 3.33Å | ||
| 96 | G | 94.4 | Very high | 84.3 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 173.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A64 C65 L79 G94 | A64-G96 CarbonylContact C-O 3.43Å; A64-G96 VanDerWaalsContact CA-O 3.29Å; A64-G96 WeakPolarHBondContact CA-O 3.42Å; C65-G96 PolarHBondContact N-O 3.26Å; C65-G96 CarbonylContact O-C 3.56Å; C65-G96 WeakPolarHBondContact O-CA 2.98Å; C65-G96 PolarHBondContact O-N 3.26Å; L79-G96 CarbonylContact O-C 3.47Å; L79-G96 WeakPolarHBondContact O-CA 3.4Å; G94-G96 VanDerWaalsContact C-N 3.35Å |
| 97 | V | 95.6 | Very high | 82.8 | Confident | 22 Ų | 22 | 64.3 Ų | 64.3 | 13% | 0.133 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 138.8 | 176.9 | 172.4 | 0 | 0 | 0 | 0 | 109.6 | Q63 C65 L79 R81 T99 | Q63-V97 WeakPolarHBondContact O-CA 3.03Å; C65-V97 PolarHBondContact SG-N 3.45Å; C65-V97 VanDerWaalsContact SG-N 3.35Å; L79-V97 PolarHBondContact N-O 2.91Å; L79-V97 PolarHBondContact O-N 2.86Å; R81-V97 HydrophobicContact CG-CG2 3.98Å; R81-V97 VanDerWaalsContact CZ-CG2 3.45Å; V97-T99 PolarHBondContact O-N 3.19Å |
| 98 | C | 95.6 | Very high | 81 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 109.3 | 170.8 | -67.9 | 0 | 0 | 0 | 0 | 109.6 | L59 S60 E61 G62 Q63 C65 C72 L76 R77 | L59-C98 VanDerWaalsContact CB-SG 3.51Å; S60-C98 WeakPolarHBondContact O-CB 3.05Å; E61-C98 WeakPolarHBondContact CA-O 3.3Å; G62-C98 PolarHBondContact N-O 3.34Å; Q63-C98 PolarHBondContact O-N 3.25Å; C65-C98 PolarHBondContact SG-N 3.22Å; C72-C98 VanDerWaalsContact CA-SG 3.58Å; C72-C98 HydrophobicContact CB-CB 3.77Å; C72-C98 WeakPolarHBondContact CB-SG 3.08Å; C72-C98 WeakPolarHBondContact SG-CA 3.15Å; C72-C98 WeakPolarHBondContact SG-CB 3.25Å; C72-C98 CovalentContact SG-SG 2.04Å; C72-C98 PolarHBondContact SG-SG 2.73Å; L76-C98 HydrophobicContact CB-CB 4.46Å; L76-C98 HydrophobicContact CD1-CB 4.06Å; R77-C98 WeakPolarHBondContact O-CA 3.47Å |
| 99 | T | 93.4 | Very high | 79 | Confident | 34 Ų | 34 | 71.1 Ų | 71.1 | 21% | 0.209 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 163.5 | -178.5 | -178.7 | 0 | 0 | 0 | 0 | 110.2 | R77 L79 V97 | R77-T99 PolarHBondContact N-O 3.24Å; R77-T99 PolarHBondContact O-N 3.33Å; R77-T99 VanDerWaalsContact O-O 3.14Å; L79-T99 HydrophobicContact CB-CG2 3.88Å; L79-T99 HydrophobicContact CD1-CG2 3.77Å; L79-T99 HydrophobicContact CG-CG2 4.05Å; V97-T99 PolarHBondContact O-N 3.19Å |
| 100 | N | 88.5 | Confident | 76.8 | Confident | 66 Ų | 66 | 71.4 Ų | 71.4 | 35% | 0.353 | 37% | 0.371 | S | S | . | . | trans | -67.8 | 155.3 | 171.8 | 68.1 | 33.6 | 0 | 0 | 0 | 111.5 | K102 G103 | N100-K102 PolarHBondContact O-N 3.31Å; N100-K102 PolarHBondContact OD1-N 2.91Å; N100-G103 PolarHBondContact O-N 2.98Å; N100-G103 PolarHBondContact OD1-N 3.37Å | ||
| 101 | E | 74.8 | Confident | 74.7 | Confident | 105 Ų | 105 | 77.9 Ų | 77.9 | 49% | 0.491 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -63.6 | -25.4 | -179.5 | -69.4 | 178.8 | -133.9 | 0 | 0 | 113.3 | R77 G103 | R77-E101 HydrophobicContact CG-CG 4.19Å; R77-E101 IonicContact CZ-OE1 2.66Å; R77-E101 IonicContact CZ-OE2 2.95Å; R77-E101 VanDerWaalsContact CZ-OE2 3.25Å; R77-E101 IonicContact NE-OE1 3.42Å; R77-E101 PolarHBondContact NE-OE1 3.3Å; R77-E101 IonicContact NH1-OE1 3.58Å; R77-E101 PolarHBondContact NH1-OE1 2.95Å; R77-E101 IonicContact NH1-OE2 2.71Å; R77-E101 PolarHBondContact NH1-OE2 3.15Å; R77-E101 VanDerWaalsContact NH2-CD 3.34Å; R77-E101 IonicContact NH2-OE1 3.13Å; R77-E101 PolarHBondContact NH2-OE1 2.71Å; R77-E101 IonicContact NH2-OE2 3.35Å; R77-E101 PolarHBondContact NH2-OE2 3.37Å; E101-G103 PolarHBondContact O-N 2.85Å |
| 102 | K | 70.9 | Confident | 72.3 | Confident | 198 Ų | 198 | 83.4 Ų | 83.4 | 86% | 0.861 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -70.9 | -16.9 | 179.6 | -62.7 | -178.3 | -178.8 | 179.1 | 0 | 112.8 | N100 | N100-K102 PolarHBondContact O-N 3.31Å; N100-K102 PolarHBondContact OD1-N 2.91Å |
| 103 | G | 59.4 | Low | 70 | Confident | 35 Ų | 35 | 88.6 Ų | 88.6 | 36% | 0.361 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -83.1 | -12.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | N100 E101 | N100-G103 PolarHBondContact O-N 2.98Å; N100-G103 PolarHBondContact OD1-N 3.37Å; E101-G103 PolarHBondContact O-N 2.85Å |
| 104 | Y | 65.1 | Low | 67.8 | Low | 54 Ų | 54 | 93.4 Ų | 93.4 | 21% | 0.212 | 48% | 0.479 | C | S | . | . | trans | -99 | 111.5 | -176.3 | -174.3 | -101.3 | 0 | 0 | 0 | 112.2 | L79 P80 P106 L138 | L79-Y104 HydrophobicContact CB-CD2 4.41Å; L79-Y104 HydrophobicContact CD1-CG 4.39Å; P80-Y104 HydrophobicContact CB-CE2 4.23Å; P80-Y104 HydrophobicContact CG-CE2 4.23Å; Y104-P106 HydrophobicContact CD1-CG 4.34Å; Y104-P106 HydrophobicContact CE1-CB 4.26Å; Y104-P106 HydrophobicContact CE1-CG 3.81Å; Y104-L138 HydrophobicContact CE1-CD1 4Å; Y104-L138 WeakPolarHBondContact OH-CD1 3.5Å | ||
| 105 | K | 64.3 | Low | 65.5 | Low | 170 Ų | 170 | 97 Ų | 97 | 74% | 0.739 | 50% | 0.501 | S | S | * | . | trans | -110.9 | 112.6 | 168.5 | -73.6 | -176.8 | -178.7 | 179.9 | 0 | 108.7 | L107 | K105-L107 PolarHBondContact O-N 3.48Š| ||
| 106 | P | 62 | Low | 62.9 | Low | 78 Ų | 78 | 100.3 Ų | 100.3 | 51% | 0.506 | 53% | 0.525 | S | S | . | . | trans | -57.4 | 135.2 | 173.7 | -13.2 | 22.3 | 0 | 0 | 0 | 110 | Y104 H108 | Y104-P106 HydrophobicContact CD1-CG 4.34Å; Y104-P106 HydrophobicContact CE1-CB 4.26Å; Y104-P106 HydrophobicContact CE1-CG 3.81Å; P106-H108 PolarHBondContact O-N 2.63Å | ||
| 107 | L | 56.1 | Low | 60 | Low | 122 Ų | 122 | 109 Ų | 109 | 64% | 0.639 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -62.5 | -23.6 | 178.2 | -117.2 | 87.9 | 0 | 0 | 0 | 113 | G83 K105 | G83-L107 VanDerWaalsContact N-CD1 3.33Å; K105-L107 PolarHBondContact O-N 3.48Å |
| 108 | H | 53.8 | Low | 57.2 | Low | 145 Ų | 145 | 116 Ų | 116 | 67% | 0.671 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -130.8 | 122 | 178.1 | -70.9 | -12.4 | 0 | 0 | 0 | 110.6 | P106 | P106-H108 PolarHBondContact O-N 2.63Š|
| 109 | P | 47.5 | Very low | 54.2 | Low | 103 Ų | 103 | 123.9 Ų | 123.9 | 67% | 0.669 | 63% | 0.633 | S | S | * | * | trans | -53.4 | 148.3 | 155.5 | -16.7 | 29.2 | 0 | 0 | 0 | 108.9 | I111 | P109-I111 PolarHBondContact O-N 2.9Š| ||
| 110 | P | 42.4 | Very low | 51.4 | Low | 90 Ų | 90 | 128.8 Ų | 128.8 | 58% | 0.584 | 66% | 0.658 | S | S | * | * | trans | -52.8 | 120.6 | 166.3 | -17 | 29 | 0 | 0 | 0 | 107.7 | D112 | P110-D112 PolarHBondContact O-N 3.24Å; P110-D112 VanDerWaalsContact O-N 3.12Å | ||
| 111 | I | 45.7 | Very low | 48.8 | Very low | 136 Ų | 136 | 131.6 Ų | 131.6 | 70% | 0.697 | 68% | 0.678 | S | S | * | * | trans | -69.1 | 110.7 | 170.7 | -62.3 | 174.3 | 0 | 0 | 0 | 105.5 | P109 H113 | P109-I111 PolarHBondContact O-N 2.9Å; I111-H113 HydrophobicContact CG2-CB 4.38Å; I111-H113 PolarHBondContact O-N 3.47Å | ||
| 112 | D | 41.7 | Very low | 47 | Very low | 140 Ų | 140 | 133.6 Ų | 133.6 | 75% | 0.749 | 69% | 0.691 | S | S | * | * | trans | -72.5 | 79 | 171.7 | -53.6 | -37.7 | 0 | 0 | 0 | 107.7 | P110 E114 | P110-D112 PolarHBondContact O-N 3.24Å; P110-D112 VanDerWaalsContact O-N 3.12Å; D112-E114 PolarHBondContact O-N 2.99Å; D112-E114 VanDerWaalsContact O-N 3.14Å | ||
| 113 | H | 41.9 | Very low | 45.3 | Very low | 167 Ų | 167 | 129.6 Ų | 129.6 | 77% | 0.773 | 68% | 0.684 | S | S | * | * | trans | -86.9 | 71.6 | 171.5 | -124.8 | -70.9 | 0 | 0 | 0 | 109 | I111 | I111-H113 HydrophobicContact CG2-CB 4.38Å; I111-H113 PolarHBondContact O-N 3.47Å | ||
| 114 | E | 43.6 | Very low | 43.9 | Very low | 180 Ų | 180 | 134.1 Ų | 134.1 | 84% | 0.841 | 70% | 0.704 | S | S | * | * | trans | -108.1 | 98.3 | 159 | -162.2 | 175.7 | -176.1 | 0 | 0 | 105.9 | D112 | D112-E114 PolarHBondContact O-N 2.99Å; D112-E114 VanDerWaalsContact O-N 3.14Å | ||
| 115 | S | 44.6 | Very low | 42.7 | Very low | 95 Ų | 95 | 140.4 Ų | 140.4 | 66% | 0.664 | 74% | 0.736 | S | S | * | * | trans | 152.6 | 106.8 | 157.7 | -69.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 116 | L | 38.8 | Very low | 41.2 | Very low | 167 Ų | 167 | 139.8 Ų | 139.8 | 87% | 0.874 | 74% | 0.739 | S | S | * | * | trans | 154.4 | 79.6 | 140.7 | -81.5 | 161.9 | 0 | 0 | 0 | 108.7 | ||||
| 117 | E | 34.7 | Very low | 39.6 | Very low | 183 Ų | 183 | 142.1 Ų | 142.1 | 86% | 0.855 | 75% | 0.752 | S | S | * | * | trans | -91.3 | 147.8 | 149.6 | -67.4 | -175.1 | 157 | 0 | 0 | 107.6 | ||||
| 118 | H | 37.2 | Very low | 38.8 | Very low | 167 Ų | 167 | 146 Ų | 146 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | trans | 84.9 | 121.5 | -174.3 | -78 | 65.1 | 0 | 0 | 0 | 115 | ||||
| 119 | E | 32.3 | Very low | 37.8 | Very low | 166 Ų | 166 | 146.1 Ų | 146.1 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | cis | -149.1 | 162.7 | 39.2 | -105.8 | -96.2 | 119.5 | 0 | 0 | 112.6 | ||||
| 120 | D | 34.4 | Very low | 37.1 | Very low | 137 Ų | 137 | 149.3 Ų | 149.3 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | trans | -66.9 | 163.5 | -173.2 | -82 | -44.9 | 0 | 0 | 0 | 116.6 | ||||
| 121 | T | 32.9 | Very low | 36.6 | Very low | 125 Ų | 125 | 151.5 Ų | 151.5 | 77% | 0.767 | 78% | 0.784 | S | S | * | * | trans | 114.7 | 119.2 | 138.2 | -23.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 122 | L | 37.8 | Very low | 35.8 | Very low | 147 Ų | 147 | 150.5 Ų | 150.5 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | 75.4 | 111.2 | 152.9 | -120.7 | 70.2 | 0 | 0 | 0 | 121.7 | ||||
| 123 | T | 35.3 | Very low | 35.4 | Very low | 115 Ų | 115 | 147.9 Ų | 147.9 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | trans | 50.9 | 120.3 | 138 | 53.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 124 | T | 29.1 | Very low | 35.1 | Very low | 129 Ų | 129 | 144.5 Ų | 144.5 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | -175.7 | 141.4 | 106.2 | -55.5 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 125 | E | 39.4 | Very low | 34.8 | Very low | 187 Ų | 187 | 143.7 Ų | 143.7 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | trans | -54.2 | 128.6 | 177 | -56.3 | 179.9 | 154.4 | 0 | 0 | 112.8 | ||||
| 126 | I | 32.8 | Very low | 34.6 | Very low | 156 Ų | 156 | 143.4 Ų | 143.4 | 80% | 0.8 | 76% | 0.756 | S | S | * | * | trans | -142.5 | 114.4 | 159.9 | -50.1 | 178.3 | 0 | 0 | 0 | 109.4 | ||||
| 127 | T | 28.6 | Very low | 34.9 | Very low | 127 Ų | 127 | 138.9 Ų | 138.9 | 78% | 0.779 | 74% | 0.737 | S | S | * | * | trans | -2.1 | 132.5 | 164 | 31.3 | 0 | 0 | 0 | 0 | 120.8 | D129 | T127-D129 PolarHBondContact O-N 3.26Š| ||
| 128 | E | 40.7 | Very low | 35.5 | Very low | 203 Ų | 203 | 133.1 Ų | 133.1 | 95% | 0.949 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -55.7 | 84.3 | 159.7 | -70 | 178.1 | 117.6 | 0 | 0 | 112.2 | ||
| 129 | D | 33.3 | Very low | 36.2 | Very low | 148 Ų | 148 | 132 Ų | 132 | 79% | 0.791 | 71% | 0.711 | S | S | * | * | trans | -160.6 | 80 | 153.9 | -152.4 | 12.9 | 0 | 0 | 0 | 112.5 | T127 | T127-D129 PolarHBondContact O-N 3.26Š| ||
| 130 | Q | 31.1 | Very low | 36.9 | Very low | 170 Ų | 170 | 126.7 Ų | 126.7 | 79% | 0.794 | 69% | 0.69 | S | S | * | * | trans | -169.3 | 70.4 | 154.7 | -110.7 | 178.8 | 7.7 | 0 | 0 | 110.9 | Q132 | Q130-Q132 VanDerWaalsContact C-N 3.33Å; Q130-Q132 PolarHBondContact O-N 2.95Å | ||
| 131 | L | 31.7 | Very low | 37.8 | Very low | 137 Ų | 137 | 126.8 Ų | 126.8 | 72% | 0.717 | 68% | 0.684 | S | S | * | * | trans | -74.7 | 87.6 | 168.2 | -173.2 | 66 | 0 | 0 | 0 | 109.2 | P133 | L131-P133 VanDerWaalsContact O-CD 3.23Å; L131-P133 WeakPolarHBondContact O-CD 3.09Å | ||
| 132 | Q | 29.1 | Very low | 38.9 | Very low | 114 Ų | 114 | 128.2 Ų | 128.2 | 53% | 0.533 | 68% | 0.682 | S | S | . | * | trans | -64.1 | 119.5 | 168.4 | -66.2 | -161 | 32.6 | 0 | 0 | 109.2 | Q130 | Q130-Q132 VanDerWaalsContact C-N 3.33Å; Q130-Q132 PolarHBondContact O-N 2.95Å | ||
| 133 | P | 34.1 | Very low | 39.8 | Very low | 86 Ų | 86 | 127.3 Ų | 127.3 | 56% | 0.558 | 68% | 0.678 | S | S | * | * | trans | -64.8 | 140.8 | 169.5 | 26 | -30.1 | 0 | 0 | 0 | 108.5 | L131 K135 | L131-P133 VanDerWaalsContact O-CD 3.23Å; L131-P133 WeakPolarHBondContact O-CD 3.09Å; P133-K135 PolarHBondContact O-N 3.41Å | ||
| 134 | A | 34.7 | Very low | 41.1 | Very low | 95 Ų | 95 | 125.9 Ų | 125.9 | 79% | 0.785 | 67% | 0.666 | S | S | * | * | trans | -52.1 | 107.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | V136 | A134-V136 PolarHBondContact O-N 2.99Å; A134-V136 VanDerWaalsContact O-N 3.07Å | ||
| 135 | K | 37.3 | Very low | 42.6 | Very low | 163 Ų | 163 | 124.2 Ų | 124.2 | 71% | 0.709 | 65% | 0.651 | S | S | * | * | trans | -71.1 | 100.6 | 174.5 | -75.9 | 168 | -179.8 | 166.8 | 0 | 107.4 | P133 P137 | P133-K135 PolarHBondContact O-N 3.41Å; K135-P137 WeakPolarHBondContact O-CD 3.36Å | ||
| 136 | V | 40.3 | Very low | 43.8 | Very low | 90 Ų | 90 | 119.3 Ų | 119.3 | 55% | 0.545 | 63% | 0.631 | S | S | . | * | trans | -77.9 | 120.6 | 169.1 | 179.1 | 0 | 0 | 0 | 0 | 107 | L88 A134 L138 | L88-V136 HydrophobicContact CD1-CB 3.76Å; L88-V136 HydrophobicContact CD1-CG1 4.25Å; L88-V136 WeakPolarHBondContact CD1-O 3.46Å; A134-V136 PolarHBondContact O-N 2.99Å; A134-V136 VanDerWaalsContact O-N 3.07Å; V136-L138 PolarHBondContact O-N 2.87Å | ||
| 137 | P | 45.2 | Very low | 45.8 | Very low | 72 Ų | 72 | 114 Ų | 114 | 47% | 0.468 | 61% | 0.608 | S | S | . | * | trans | -58.8 | 134.2 | 176.8 | -23.8 | 34.2 | 0 | 0 | 0 | 110.8 | K135 L139 | K135-P137 WeakPolarHBondContact O-CD 3.36Å; P137-L139 PolarHBondContact O-N 2.79Å; P137-L139 VanDerWaalsContact O-N 3.16Å | ||
| 138 | L | 48.4 | Very low | 48.1 | Very low | 62 Ų | 62 | 114.2 Ų | 114.2 | 33% | 0.325 | 60% | 0.598 | S | S | . | * | S | Bend | trans | -61.1 | -20.7 | 176.4 | -71.6 | 163.9 | 0 | 0 | 0 | 113.5 | P80 P87 L88 Y104 V136 | P80-L138 HydrophobicContact CG-CD1 4.21Å; P80-L138 HydrophobicContact CG-CD2 4.17Å; P87-L138 HydrophobicContact CB-CD1 3.52Å; P87-L138 HydrophobicContact CB-CD2 3.87Å; P87-L138 HydrophobicContact CB-CG 4.06Å; P87-L138 HydrophobicContact CG-CD1 3.9Å; L88-L138 HydrophobicContact CD2-CD2 3.46Å; L88-L138 VanDerWaalsContact CD2-CD2 3.46Å; L88-L138 HydrophobicContact CG-CD2 3.72Å; Y104-L138 HydrophobicContact CE1-CD1 4Å; Y104-L138 WeakPolarHBondContact OH-CD1 3.5Å; V136-L138 PolarHBondContact O-N 2.87Å |
| 139 | L | 51 | Low | 49.7 | Very low | 144 Ų | 144 | 110.6 Ų | 110.6 | 75% | 0.754 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -134.7 | 97.7 | 168.1 | -159.5 | 78 | 0 | 0 | 0 | 106.6 | P137 K141 | P137-L139 PolarHBondContact O-N 2.79Å; P137-L139 VanDerWaalsContact O-N 3.16Å; L139-K141 PolarHBondContact O-N 2.91Å |
| 140 | P | 47.3 | Very low | 51.7 | Low | 54 Ų | 54 | 107 Ų | 107 | 35% | 0.351 | 56% | 0.559 | S | S | . | * | trans | -65.4 | 121.5 | 172.7 | -10.9 | 24.4 | 0 | 0 | 0 | 107.9 | Q142 I145 | P140-Q142 PolarHBondContact O-N 3.16Å; P140-Q142 VanDerWaalsContact O-N 3.08Å; P140-I145 HydrophobicContact CB-CD1 3.23Å; P140-I145 HydrophobicContact CB-CG1 3.8Å; P140-I145 HydrophobicContact CG-CD1 3.85Å | ||
| 141 | K | 54.5 | Low | 54.1 | Low | 139 Ų | 139 | 105 Ų | 105 | 60% | 0.604 | 55% | 0.55 | S | S | * | . | trans | -59 | 118.3 | 163.1 | -69.9 | -175.4 | -179.2 | 175.9 | 0 | 106.2 | L139 D143 L144 I145 | L139-K141 PolarHBondContact O-N 2.91Å; K141-D143 PolarHBondContact O-N 2.99Å; K141-L144 HydrophobicContact CB-CB 4.37Å; K141-L144 PolarHBondContact O-N 3.25Å; K141-I145 PolarHBondContact O-N 2.66Å | ||
| 142 | Q | 54.5 | Low | 56.2 | Low | 154 Ų | 154 | 101.5 Ų | 101.5 | 72% | 0.72 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -49.8 | -36 | -177.8 | -164 | 77.8 | 5.5 | 0 | 0 | 110.7 | P140 L144 I145 N146 | P140-Q142 PolarHBondContact O-N 3.16Å; P140-Q142 VanDerWaalsContact O-N 3.08Å; Q142-L144 PolarHBondContact O-N 3.12Å; Q142-I145 PolarHBondContact O-N 3.2Å; Q142-N146 WeakPolarHBondContact O-CB 3.31Å; Q142-N146 PolarHBondContact O-N 3.15Å |
| 143 | D | 58.2 | Low | 58.5 | Low | 128 Ų | 128 | 101.9 Ų | 101.9 | 68% | 0.684 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.2 | -36.3 | 179.1 | -55.7 | -42.8 | 0 | 0 | 0 | 114 | K141 N146 S147 | K141-D143 PolarHBondContact O-N 2.99Å; D143-N146 PolarHBondContact O-N 3.41Å; D143-S147 WeakPolarHBondContact O-CB 3.29Å; D143-S147 PolarHBondContact O-N 2.88Å; D143-S147 PolarHBondContact O-OG 2.85Å |
| 144 | L | 62 | Low | 60.8 | Low | 85 Ų | 85 | 105.7 Ų | 105.7 | 45% | 0.445 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -74.7 | -36 | 179.6 | -175 | 66.4 | 0 | 0 | 0 | 111.9 | K141 Q142 N146 S147 K148 | K141-L144 HydrophobicContact CB-CB 4.37Å; K141-L144 PolarHBondContact O-N 3.25Å; Q142-L144 PolarHBondContact O-N 3.12Å; L144-N146 VanDerWaalsContact C-N 3.34Å; L144-S147 PolarHBondContact O-OG 3.47Å; L144-S147 VanDerWaalsContact O-OG 3.07Å; L144-K148 WeakPolarHBondContact O-CG 3.06Å; L144-K148 PolarHBondContact O-N 2.81Å |
| 145 | I | 59.6 | Low | 63.1 | Low | 94 Ų | 94 | 109.2 Ų | 109.2 | 48% | 0.482 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.3 | -43 | 171.5 | -67.7 | -173.7 | 0 | 0 | 0 | 109.4 | P140 K141 Q142 K149 | P140-I145 HydrophobicContact CB-CD1 3.23Å; P140-I145 HydrophobicContact CB-CG1 3.8Å; P140-I145 HydrophobicContact CG-CD1 3.85Å; K141-I145 PolarHBondContact O-N 2.66Å; Q142-I145 PolarHBondContact O-N 3.2Å; I145-K149 VanDerWaalsContact O-CB 3.29Å; I145-K149 WeakPolarHBondContact O-CB 3.46Å; I145-K149 PolarHBondContact O-N 2.77Å |
| 146 | N | 65.6 | Low | 65.1 | Low | 84 Ų | 84 | 103.3 Ų | 103.3 | 45% | 0.449 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.4 | -40.1 | -178.7 | -149.1 | 22.8 | 0 | 0 | 0 | 111.4 | Q142 D143 L144 K149 I150 | Q142-N146 WeakPolarHBondContact O-CB 3.31Å; Q142-N146 PolarHBondContact O-N 3.15Å; D143-N146 PolarHBondContact O-N 3.41Å; L144-N146 VanDerWaalsContact C-N 3.34Å; N146-K149 PolarHBondContact O-N 2.81Å; N146-I150 WeakPolarHBondContact O-CB 3.42Å; N146-I150 WeakPolarHBondContact O-CD1 3.26Å; N146-I150 WeakPolarHBondContact O-CG1 3.31Å; N146-I150 PolarHBondContact O-N 3.37Å |
| 147 | S | 74.4 | Confident | 67 | Low | 46 Ų | 46 | 104.4 Ų | 104.4 | 32% | 0.322 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.4 | -46.6 | 177.7 | 73.8 | 0 | 0 | 0 | 0 | 112.5 | D143 L144 K149 I150 Q151 | D143-S147 WeakPolarHBondContact O-CB 3.29Å; D143-S147 PolarHBondContact O-N 2.88Å; D143-S147 PolarHBondContact O-OG 2.85Å; L144-S147 PolarHBondContact O-OG 3.47Å; L144-S147 VanDerWaalsContact O-OG 3.07Å; S147-K149 VanDerWaalsContact C-N 3.33Å; S147-K149 PolarHBondContact O-N 3.44Å; S147-I150 PolarHBondContact O-N 3.48Å; S147-Q151 WeakPolarHBondContact O-CG 3.3Å; S147-Q151 PolarHBondContact O-N 3.16Å |
| 148 | K | 76.4 | Confident | 68.7 | Low | 131 Ų | 131 | 105.3 Ų | 105.3 | 57% | 0.57 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.9 | -38.3 | 176.4 | -71.4 | -176 | 179.2 | -176 | 0 | 112 | L144 Q151 A152 | L144-K148 WeakPolarHBondContact O-CG 3.06Å; L144-K148 PolarHBondContact O-N 2.81Å; K148-Q151 PolarHBondContact O-N 3.06Å; K148-A152 WeakPolarHBondContact O-CB 3.39Å; K148-A152 PolarHBondContact O-N 3.11Å |
| 149 | K | 74.3 | Confident | 70.1 | Confident | 126 Ų | 126 | 109.1 Ų | 109.1 | 55% | 0.548 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62 | -45.3 | 173.7 | -175.3 | -178.8 | 177.7 | -177.1 | 0 | 111.2 | I145 N146 S147 A152 M153 | I145-K149 VanDerWaalsContact O-CB 3.29Å; I145-K149 WeakPolarHBondContact O-CB 3.46Å; I145-K149 PolarHBondContact O-N 2.77Å; N146-K149 PolarHBondContact O-N 2.81Å; S147-K149 VanDerWaalsContact C-N 3.33Å; S147-K149 PolarHBondContact O-N 3.44Å; K149-A152 PolarHBondContact O-N 2.89Å; K149-M153 WeakPolarHBondContact O-CB 3.37Å; K149-M153 VanDerWaalsContact O-CG 3.24Å; K149-M153 WeakPolarHBondContact O-CG 3.47Å; K149-M153 PolarHBondContact O-N 3.07Å |
| 150 | I | 75.1 | Confident | 71.4 | Confident | 74 Ų | 74 | 107.8 Ų | 107.8 | 38% | 0.379 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.6 | -44.6 | 178.2 | -69.2 | 162.4 | 0 | 0 | 0 | 110.9 | N146 S147 M153 R154 | N146-I150 WeakPolarHBondContact O-CB 3.42Å; N146-I150 WeakPolarHBondContact O-CD1 3.26Å; N146-I150 WeakPolarHBondContact O-CG1 3.31Å; N146-I150 PolarHBondContact O-N 3.37Å; S147-I150 PolarHBondContact O-N 3.48Å; I150-M153 PolarHBondContact O-N 3.15Å; I150-R154 WeakPolarHBondContact O-CG 3.39Å; I150-R154 PolarHBondContact O-N 3.34Å |
| 151 | Q | 81.8 | Confident | 72.8 | Confident | 128 Ų | 128 | 112 Ų | 112 | 60% | 0.598 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.6 | -45.3 | 176.8 | -73.5 | 176.6 | -6.6 | 0 | 0 | 112 | S147 K148 M153 R154 K155 | S147-Q151 WeakPolarHBondContact O-CG 3.3Å; S147-Q151 PolarHBondContact O-N 3.16Å; K148-Q151 PolarHBondContact O-N 3.06Å; Q151-M153 PolarHBondContact O-N 3.28Å; Q151-R154 PolarHBondContact O-N 3.45Å; Q151-K155 PolarHBondContact O-N 3.41Å; Q151-K155 VanDerWaalsContact O-N 3.07Å |
| 152 | A | 76.6 | Confident | 73.7 | Confident | 62 Ų | 62 | 108.3 Ų | 108.3 | 51% | 0.512 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | K148 K149 K155 D156 | K148-A152 WeakPolarHBondContact O-CB 3.39Å; K148-A152 PolarHBondContact O-N 3.11Å; K149-A152 PolarHBondContact O-N 2.89Å; A152-K155 PolarHBondContact O-N 3.08Å; A152-D156 PolarHBondContact O-N 3.2Å |
| 153 | M | 77.5 | Confident | 74.4 | Confident | 122 Ų | 122 | 106.5 Ų | 106.5 | 60% | 0.601 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.3 | -38.6 | 176.8 | -71.1 | -64.6 | -65.4 | 0 | 0 | 112.5 | K149 I150 Q151 D156 K157 | K149-M153 WeakPolarHBondContact O-CB 3.37Å; K149-M153 VanDerWaalsContact O-CG 3.24Å; K149-M153 WeakPolarHBondContact O-CG 3.47Å; K149-M153 PolarHBondContact O-N 3.07Å; I150-M153 PolarHBondContact O-N 3.15Å; Q151-M153 PolarHBondContact O-N 3.28Å; M153-D156 PolarHBondContact O-N 3.06Å; M153-K157 WeakPolarHBondContact O-CB 3.45Å; M153-K157 PolarHBondContact O-N 3.27Å |
| 154 | R | 82.6 | Confident | 74.9 | Confident | 166 Ų | 166 | 103.4 Ų | 103.4 | 63% | 0.626 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.2 | -48.7 | 174.4 | -72.7 | 176.5 | -176.2 | -179.3 | 1.4 | 110.9 | I150 Q151 D156 K157 D158 | I150-R154 WeakPolarHBondContact O-CG 3.39Å; I150-R154 PolarHBondContact O-N 3.34Å; Q151-R154 PolarHBondContact O-N 3.45Å; R154-D156 VanDerWaalsContact C-N 3.33Å; R154-D156 PolarHBondContact O-N 3.21Å; R154-K157 WeakPolarHBondContact O-CB 3.41Å; R154-K157 PolarHBondContact O-N 2.88Å; R154-K157 VanDerWaalsContact O-N 3.12Å; R154-D158 PolarHBondContact O-N 3.41Å |
| 155 | K | 83.1 | Confident | 75.2 | Confident | 170 Ų | 170 | 107.1 Ų | 107.1 | 74% | 0.739 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59 | -39.8 | 177.8 | -169 | 173.1 | -178.3 | 172.1 | 0 | 113 | Q151 A152 R159 | Q151-K155 PolarHBondContact O-N 3.41Å; Q151-K155 VanDerWaalsContact O-N 3.07Å; A152-K155 PolarHBondContact O-N 3.08Å; K155-R159 WeakPolarHBondContact O-CB 3.21Å; K155-R159 PolarHBondContact O-N 2.89Å |
| 156 | D | 78.3 | Confident | 75.1 | Confident | 39 Ų | 39 | 109.6 Ų | 109.6 | 21% | 0.209 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -67.3 | -41.1 | 175 | -175.5 | 64.7 | 0 | 0 | 0 | 112.6 | A152 M153 R154 D158 R159 K160 | A152-D156 PolarHBondContact O-N 3.2Å; M153-D156 PolarHBondContact O-N 3.06Å; R154-D156 VanDerWaalsContact C-N 3.33Å; R154-D156 PolarHBondContact O-N 3.21Å; D156-D158 VanDerWaalsContact C-N 3.34Å; D156-D158 PolarHBondContact O-N 2.87Å; D156-R159 PolarHBondContact O-N 3.14Å; D156-R159 IonicContact OD1-CZ 3.37Å; D156-R159 IonicContact OD1-NE 2.75Å; D156-R159 IonicContact OD1-NH2 2.75Å; D156-R159 PolarHBondContact OD1-NH2 2.76Å; D156-K160 WeakPolarHBondContact O-CG 3.44Å; D156-K160 PolarHBondContact O-N 2.87Å; D156-K160 VanDerWaalsContact OD2-CE 3.3Å; D156-K160 WeakPolarHBondContact OD2-CE 3.43Å; D156-K160 IonicContact OD2-NZ 3.3Å; D156-K160 PolarHBondContact OD2-NZ 3.05Å |
| 157 | K | 80.3 | Confident | 74.6 | Confident | 113 Ų | 113 | 116.3 Ų | 116.3 | 49% | 0.491 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.4 | -42 | 177.3 | -176 | 177.7 | 178.6 | 178.9 | 0 | 111.5 | M153 R154 K160 R161 | M153-K157 WeakPolarHBondContact O-CB 3.45Å; M153-K157 PolarHBondContact O-N 3.27Å; R154-K157 WeakPolarHBondContact O-CB 3.41Å; R154-K157 PolarHBondContact O-N 2.88Å; R154-K157 VanDerWaalsContact O-N 3.12Å; K157-K160 PolarHBondContact O-N 3.46Å; K157-R161 VanDerWaalsContact CE-CZ 3.46Å; K157-R161 VanDerWaalsContact CE-NH2 3.33Å; K157-R161 WeakPolarHBondContact O-CG 3.11Å; K157-R161 PolarHBondContact O-N 3.28Å |
| 158 | D | 81.5 | Confident | 73.8 | Confident | 91 Ų | 91 | 119.1 Ų | 119.1 | 49% | 0.487 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -68.2 | -40.7 | 178.3 | -64.4 | -27.5 | 0 | 0 | 0 | 111.3 | R154 D156 K160 R161 A162 | R154-D158 PolarHBondContact O-N 3.41Å; D156-D158 VanDerWaalsContact C-N 3.34Å; D156-D158 PolarHBondContact O-N 2.87Å; D158-K160 PolarHBondContact O-N 3.32Å; D158-R161 PolarHBondContact O-N 3.15Å; D158-A162 PolarHBondContact O-N 2.98Å |
| 159 | R | 77.8 | Confident | 72.5 | Confident | 141 Ų | 141 | 120.2 Ų | 120.2 | 53% | 0.532 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -58.5 | -45.4 | 172.3 | -177.8 | 175.6 | 62.9 | 172.7 | 1.2 | 112.5 | K155 D156 A162 Q163 | K155-R159 WeakPolarHBondContact O-CB 3.21Å; K155-R159 PolarHBondContact O-N 2.89Å; D156-R159 PolarHBondContact O-N 3.14Å; D156-R159 IonicContact OD1-CZ 3.37Å; D156-R159 IonicContact OD1-NE 2.75Å; D156-R159 IonicContact OD1-NH2 2.75Å; D156-R159 PolarHBondContact OD1-NH2 2.76Å; R159-A162 PolarHBondContact O-N 2.88Å; R159-Q163 PolarHBondContact O-N 2.85Å |
| 160 | K | 77.9 | Confident | 71.2 | Confident | 116 Ų | 116 | 117.4 Ų | 117.4 | 50% | 0.504 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.5 | -38 | 177.5 | -78.3 | 172.8 | 173 | 156.7 | 0 | 112.6 | D156 K157 D158 Q163 A164 | D156-K160 WeakPolarHBondContact O-CG 3.44Å; D156-K160 PolarHBondContact O-N 2.87Å; D156-K160 VanDerWaalsContact OD2-CE 3.3Å; D156-K160 WeakPolarHBondContact OD2-CE 3.43Å; D156-K160 IonicContact OD2-NZ 3.3Å; D156-K160 PolarHBondContact OD2-NZ 3.05Å; K157-K160 PolarHBondContact O-N 3.46Å; D158-K160 PolarHBondContact O-N 3.32Å; K160-Q163 PolarHBondContact O-N 3.09Å; K160-A164 WeakPolarHBondContact O-CB 2.89Å; K160-A164 PolarHBondContact O-N 3.44Å |
| 161 | R | 76.9 | Confident | 70.3 | Confident | 143 Ų | 143 | 119.9 Ų | 119.9 | 54% | 0.54 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -65.5 | -40 | 174.7 | -76.6 | 171.1 | 167.6 | -172 | -10.3 | 112 | K157 D158 A164 K165 | K157-R161 VanDerWaalsContact CE-CZ 3.46Å; K157-R161 VanDerWaalsContact CE-NH2 3.33Å; K157-R161 WeakPolarHBondContact O-CG 3.11Å; K157-R161 PolarHBondContact O-N 3.28Å; D158-R161 PolarHBondContact O-N 3.15Å; R161-A164 PolarHBondContact O-N 3.18Å; R161-K165 WeakPolarHBondContact O-CG 3.47Å; R161-K165 PolarHBondContact O-N 3.24Å; R161-K165 VanDerWaalsContact O-N 3.09Å |
| 162 | A | 73.6 | Confident | 68.8 | Low | 61 Ų | 61 | 122.2 Ų | 122.2 | 50% | 0.504 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -62.7 | -43.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | D158 R159 A164 K165 L166 | D158-A162 PolarHBondContact O-N 2.98Å; R159-A162 PolarHBondContact O-N 2.88Å; A162-A164 PolarHBondContact O-N 3.44Å; A162-K165 PolarHBondContact O-N 3.07Å; A162-L166 PolarHBondContact O-N 3.19Å |
| 163 | Q | 68.8 | Low | 66.9 | Low | 116 Ų | 116 | 126.3 Ų | 126.3 | 54% | 0.542 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -63.9 | -37.1 | 175.6 | -76 | 177.2 | -13.9 | 0 | 0 | 113.4 | R159 K160 L166 | R159-Q163 PolarHBondContact O-N 2.85Å; K160-Q163 PolarHBondContact O-N 3.09Å; Q163-L166 PolarHBondContact O-N 2.05Å |
| 164 | A | 68.9 | Low | 65.4 | Low | 63 Ų | 63 | 130.5 Ų | 130.5 | 52% | 0.521 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -69.6 | -35.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K160 R161 A162 L166 R167 | K160-A164 WeakPolarHBondContact O-CB 2.89Å; K160-A164 PolarHBondContact O-N 3.44Å; R161-A164 PolarHBondContact O-N 3.18Å; A162-A164 PolarHBondContact O-N 3.44Å; A164-L166 VanDerWaalsContact C-N 3.32Å; A164-L166 PolarHBondContact O-N 2.86Å; A164-R167 PolarHBondContact O-N 3.2Å |
| 165 | K | 67.9 | Low | 63.6 | Low | 164 Ų | 164 | 126.8 Ų | 126.8 | 71% | 0.713 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -65.9 | -33.6 | 175.2 | -76.6 | -177.2 | 177.2 | -172.3 | 0 | 112.6 | R161 A162 R167 S168 | R161-K165 WeakPolarHBondContact O-CG 3.47Å; R161-K165 PolarHBondContact O-N 3.24Å; R161-K165 VanDerWaalsContact O-N 3.09Å; A162-K165 PolarHBondContact O-N 3.07Å; K165-R167 VanDerWaalsContact C-N 3.29Å; K165-R167 PolarHBondContact O-N 2.86Å; K165-S168 PolarHBondContact O-N 3.46Å |
| 166 | L | 57.4 | Low | 61.7 | Low | 145 Ų | 145 | 124.6 Ų | 124.6 | 76% | 0.759 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -69.7 | -24.7 | 178.3 | -159.5 | 71.3 | 0 | 0 | 0 | 113 | A162 Q163 A164 | A162-L166 PolarHBondContact O-N 3.19Å; Q163-L166 PolarHBondContact O-N 2.05Å; A164-L166 VanDerWaalsContact C-N 3.32Å; A164-L166 PolarHBondContact O-N 2.86Å |
| 167 | R | 56.5 | Low | 59.7 | Low | 226 Ų | 226 | 130.1 Ų | 130.1 | 85% | 0.853 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -3.9 | -179.6 | -69.8 | -178.2 | 176.5 | -175.9 | -1.9 | 114.7 | A164 K165 | A164-R167 PolarHBondContact O-N 3.2Å; K165-R167 VanDerWaalsContact C-N 3.29Å; K165-R167 PolarHBondContact O-N 2.86Å |
| 168 | S | 55.9 | Low | 58 | Low | 104 Ų | 104 | 130.4 Ų | 130.4 | 73% | 0.727 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | 5.3 | -174 | -165.6 | 0 | 0 | 0 | 0 | 114.4 | K165 | K165-S168 PolarHBondContact O-N 3.46Š|
| 169 | I | 50.7 | Low | 56.2 | Low | 155 Ų | 155 | 133.1 Ų | 133.1 | 80% | 0.795 | 70% | 0.702 | S | S | * | * | trans | -113.8 | 118.9 | 176.5 | -56.3 | 174.4 | 0 | 0 | 0 | 108.4 | ||||
| 170 | G | 46.5 | Very low | 54.5 | Low | 66 Ų | 66 | 132.8 Ų | 132.8 | 68% | 0.68 | 71% | 0.711 | S | S | * | * | trans | -152 | 166.8 | 165 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 171 | P | 55.9 | Low | 52.7 | Low | 127 Ų | 127 | 136.1 Ų | 136.1 | 83% | 0.825 | 73% | 0.725 | S | S | * | * | cis | -130.8 | 160.6 | 12 | 38.2 | -20.3 | 0 | 0 | 0 | 117.7 | ||||
| 172 | M | 49.8 | Very low | 51.2 | Low | 176 Ų | 176 | 137.5 Ų | 137.5 | 87% | 0.867 | 74% | 0.737 | S | S | * | * | trans | 51.2 | 116.3 | 154.3 | -76 | -66 | -147.9 | 0 | 0 | 123.3 | ||||
| 173 | D | 36.4 | Very low | 50 | Low | 148 Ų | 148 | 141.9 Ų | 141.9 | 79% | 0.791 | 75% | 0.747 | S | S | * | * | trans | -140.9 | 140 | 130.3 | -167.8 | 11.7 | 0 | 0 | 0 | 109.4 | S175 | D173-S175 PolarHBondContact O-N 3.46Š| ||
| 174 | Y | 47.1 | Very low | 49.3 | Very low | 210 Ų | 210 | 139.8 Ų | 139.8 | 82% | 0.824 | 74% | 0.744 | S | S | * | * | trans | -80.9 | 98.3 | -173.1 | -165.1 | -92 | 0 | 0 | 0 | 109.1 | ||||
| 175 | S | 44.4 | Very low | 49.2 | Very low | 89 Ų | 89 | 146.2 Ų | 146.2 | 62% | 0.622 | 76% | 0.763 | S | S | * | * | trans | -130 | 139.6 | 165.4 | -76.8 | 0 | 0 | 0 | 0 | 108.9 | D173 L177 | D173-S175 PolarHBondContact O-N 3.46Å; S175-L177 PolarHBondContact O-N 3.37Å | ||
| 176 | P | 43.1 | Very low | 49.2 | Very low | 123 Ų | 123 | 141.9 Ų | 141.9 | 80% | 0.799 | 75% | 0.745 | S | S | * | * | trans | -54.5 | 119.9 | -179.6 | -20.7 | 30.6 | 0 | 0 | 0 | 109.1 | ||||
| 177 | L | 37 | Very low | 50.6 | Low | 155 Ų | 155 | 135.2 Ų | 135.2 | 81% | 0.812 | 71% | 0.711 | S | S | * | * | trans | -37.6 | 123.8 | 179.1 | -63.3 | 164 | 0 | 0 | 0 | 110.6 | S175 I179 | S175-L177 PolarHBondContact O-N 3.37Å; L177-I179 PolarHBondContact O-N 2.94Å | ||
| 178 | P | 43.3 | Very low | 52.3 | Low | 119 Ų | 119 | 125.8 Ų | 125.8 | 77% | 0.773 | 68% | 0.679 | S | S | * | * | trans | -58.9 | 114.8 | 152.6 | -7 | 22.4 | 0 | 0 | 0 | 104.2 | D180 | P178-D180 PolarHBondContact O-N 3.34Š| ||
| 179 | I | 44.2 | Very low | 54.2 | Low | 149 Ų | 149 | 120.9 Ų | 120.9 | 76% | 0.764 | 65% | 0.645 | S | S | * | * | trans | -46.5 | 109.2 | 169.2 | -66.7 | 167.3 | 0 | 0 | 0 | 105.9 | L177 K181 | L177-I179 PolarHBondContact O-N 2.94Å; I179-K181 PolarHBondContact O-N 3.05Å | ||
| 180 | D | 42.2 | Very low | 56.2 | Low | 133 Ų | 133 | 117.8 Ų | 117.8 | 71% | 0.711 | 62% | 0.623 | S | S | * | * | trans | -64.2 | 88 | -175.8 | -170.7 | 10.9 | 0 | 0 | 0 | 108 | P178 H182 | P178-D180 PolarHBondContact O-N 3.34Å; D180-H182 PolarHBondContact O-N 2.93Å | ||
| 181 | K | 41.1 | Very low | 58.3 | Low | 187 Ų | 187 | 121.6 Ų | 121.6 | 81% | 0.813 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | 37.7 | 177.1 | -83 | -173 | 175.9 | -179.6 | 0 | 111.5 | I179 | I179-K181 PolarHBondContact O-N 3.05Š|
| 182 | H | 45.5 | Very low | 59.9 | Low | 171 Ų | 171 | 120.9 Ų | 120.9 | 79% | 0.792 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.4 | 32.7 | 171.2 | -97.4 | -64.8 | 0 | 0 | 0 | 112.6 | D180 | D180-H182 PolarHBondContact O-N 2.93Š|
| 183 | E | 48.2 | Very low | 61.9 | Low | 153 Ų | 153 | 114 Ų | 114 | 72% | 0.715 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -67.7 | 128.6 | 142 | -117.6 | -154.4 | 133.6 | 0 | 0 | 107 | E185 | E183-E185 PolarHBondContact O-N 3.07Š|
| 184 | P | 53.6 | Low | 64.3 | Low | 73 Ų | 73 | 110.1 Ų | 110.1 | 47% | 0.474 | 55% | 0.546 | S | S | . | . | trans | -63.3 | 134.7 | -171.2 | 28.9 | -34.3 | 0 | 0 | 0 | 109.3 | F186 | P184-F186 HydrophobicContact CB-CD2 3.46Å; P184-F186 VanDerWaalsContact CB-CD2 3.46Å; P184-F186 HydrophobicContact CB-CE2 3.42Å; P184-F186 VanDerWaalsContact CB-CE2 3.42Å; P184-F186 HydrophobicContact CB-CG 4.45Å; P184-F186 HydrophobicContact CB-CZ 4.4Å; P184-F186 HydrophobicContact CG-CD2 3.63Å; P184-F186 HydrophobicContact CG-CE2 3.86Å; P184-F186 PolarHBondContact O-N 3.23Å | ||
| 185 | E | 67 | Low | 66.2 | Low | 197 Ų | 197 | 102.4 Ų | 102.4 | 92% | 0.921 | 53% | 0.531 | S | S | * | . | trans | -48.1 | 22 | 177.1 | -73.5 | 179 | 129.7 | 0 | 0 | 116.8 | E183 | E183-E185 PolarHBondContact O-N 3.07Š| ||
| 186 | F | 67.4 | Low | 68.2 | Low | 74 Ų | 74 | 100.3 Ų | 100.3 | 33% | 0.325 | 51% | 0.512 | S | S | . | . | trans | -83.8 | 131.1 | -176.8 | -58.5 | -59.4 | 0 | 0 | 0 | 111.8 | P184 R190 | P184-F186 HydrophobicContact CB-CD2 3.46Å; P184-F186 VanDerWaalsContact CB-CD2 3.46Å; P184-F186 HydrophobicContact CB-CE2 3.42Å; P184-F186 VanDerWaalsContact CB-CE2 3.42Å; P184-F186 HydrophobicContact CB-CG 4.45Å; P184-F186 HydrophobicContact CB-CZ 4.4Å; P184-F186 HydrophobicContact CG-CD2 3.63Å; P184-F186 HydrophobicContact CG-CE2 3.86Å; P184-F186 PolarHBondContact O-N 3.23Å; F186-R190 HydrophobicContact CB-CB 3.7Å; F186-R190 HydrophobicContact CB-CG 3.64Å; F186-R190 HydrophobicContact CD1-CG 4.24Å; F186-R190 HydrophobicContact CD2-CG 4.16Å; F186-R190 HydrophobicContact CG-CB 4.34Å; F186-R190 HydrophobicContact CG-CG 3.78Å | ||
| 187 | G | 86.3 | Confident | 70.2 | Confident | 5 Ų | 5 | 97.6 Ų | 97.6 | 5% | 0.052 | 49% | 0.49 | C | S | . | . | trans | -58.4 | 173.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115 | C189 R190 R191 K219 G220 | G187-C189 VanDerWaalsContact C-N 3.25Å; G187-C189 PolarHBondContact O-N 3.46Å; G187-C189 VanDerWaalsContact O-N 3.15Å; G187-R190 PolarHBondContact O-N 2.84Å; G187-R191 PolarHBondContact O-N 3Å; G187-K219 PolarHBondContact N-O 3.33Å; G187-G220 CarbonylContact C-O 3.51Å; G187-G220 WeakPolarHBondContact CA-O 3.36Å | ||
| 188 | P | 93.1 | Very high | 72.3 | Confident | 28 Ų | 28 | 94.9 Ų | 94.9 | 18% | 0.182 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -59.2 | -29.2 | -173 | 25.5 | -36.3 | 0 | 0 | 0 | 114.4 | K192 F221 F222 Y244 | P188-K192 PolarHBondContact O-N 3.4Å; P188-F221 HydrophobicContact CG-CD1 4.01Å; P188-F221 HydrophobicContact CG-CE1 4.33Å; P188-F222 HydrophobicContact CB-CE2 4.23Å; P188-F222 HydrophobicContact CG-CD2 4.41Å; P188-F222 HydrophobicContact CG-CE2 4.34Å; P188-Y244 HydrophobicContact CG-CD1 4.09Å |
| 189 | C | 94.7 | Very high | 74 | Confident | 0 Ų | 0 | 91.3 Ų | 91.3 | 0% | 0 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -67.2 | -45.3 | 178.6 | -178.4 | 0 | 0 | 0 | 0 | 111.6 | G187 K192 L193 C216 G220 F221 F222 | G187-C189 VanDerWaalsContact C-N 3.25Å; G187-C189 PolarHBondContact O-N 3.46Å; G187-C189 VanDerWaalsContact O-N 3.15Å; C189-K192 PolarHBondContact O-N 3.33Å; C189-L193 WeakPolarHBondContact O-CB 3.23Å; C189-L193 PolarHBondContact O-N 3Å; C189-C216 HydrophobicContact CB-CB 3.8Å; C189-C216 WeakPolarHBondContact CB-SG 3.24Å; C189-C216 PolarHBondContact O-SG 2.72Å; C189-C216 WeakPolarHBondContact SG-CA 3.46Å; C189-C216 WeakPolarHBondContact SG-CB 3.42Å; C189-C216 CovalentContact SG-SG 2.05Å; C189-C216 PolarHBondContact SG-SG 3.06Å; C189-G220 WeakPolarHBondContact CA-O 3.44Å; C189-G220 WeakPolarHBondContact CB-O 3.2Å; C189-G220 PolarHBondContact N-O 3.42Å; C189-F221 VanDerWaalsContact CB-C 3.4Å; C189-F222 VanDerWaalsContact CA-CE2 3.44Å; C189-F222 HydrophobicContact CB-CB 4.3Å; C189-F222 HydrophobicContact CB-CD1 3.87Å; C189-F222 HydrophobicContact CB-CD2 3.54Å; C189-F222 HydrophobicContact CB-CE1 4.02Å; C189-F222 HydrophobicContact CB-CE2 3.7Å; C189-F222 HydrophobicContact CB-CG 3.64Å; C189-F222 HydrophobicContact CB-CZ 3.94Å |
| 190 | R | 92.8 | Very high | 75.5 | Confident | 90 Ų | 90 | 86 Ų | 86 | 34% | 0.34 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66.6 | -40.8 | -177.1 | -178.9 | 55.9 | 175.7 | -83.8 | 0.2 | 111.6 | F186 G187 K192 L193 D194 G220 | F186-R190 HydrophobicContact CB-CB 3.7Å; F186-R190 HydrophobicContact CB-CG 3.64Å; F186-R190 HydrophobicContact CD1-CG 4.24Å; F186-R190 HydrophobicContact CD2-CG 4.16Å; F186-R190 HydrophobicContact CG-CB 4.34Å; F186-R190 HydrophobicContact CG-CG 3.78Å; G187-R190 PolarHBondContact O-N 2.84Å; R190-K192 VanDerWaalsContact C-N 3.33Å; R190-K192 PolarHBondContact O-N 2.75Å; R190-L193 WeakPolarHBondContact O-CB 3.43Å; R190-L193 PolarHBondContact O-N 2.87Å; R190-D194 IonicContact NE-OD1 3.62Å; R190-D194 PolarHBondContact NE-OD1 3.04Å; R190-D194 VanDerWaalsContact NE-OD1 3.13Å; R190-D194 IonicContact NE-OD2 2.72Å; R190-D194 PolarHBondContact NE-OD2 2.95Å; R190-D194 WeakPolarHBondContact O-CB 3.49Å; R190-D194 PolarHBondContact O-N 2.94Å; R190-G220 PolarHBondContact N-O 3.07Å; R190-G220 VanDerWaalsContact N-O 3.09Å |
| 191 | R | 90.8 | Very high | 76.8 | Confident | 146 Ų | 146 | 86 Ų | 86 | 55% | 0.551 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -58 | -45.2 | 173.1 | -75 | -174.7 | -77.9 | 129.2 | -7 | 111.7 | G187 D194 G195 | G187-R191 PolarHBondContact O-N 3Å; R191-D194 PolarHBondContact O-N 2.99Å; R191-G195 PolarHBondContact O-N 3.13Å |
| 192 | K | 90.6 | Very high | 77.9 | Confident | 113 Ų | 113 | 83.4 Ų | 83.4 | 49% | 0.491 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62 | -43.8 | 175.1 | -173.7 | 173.1 | -174.3 | 170.5 | 0 | 112.2 | P188 C189 R190 G195 I196 F222 | P188-K192 PolarHBondContact O-N 3.4Å; C189-K192 PolarHBondContact O-N 3.33Å; R190-K192 VanDerWaalsContact C-N 3.33Å; R190-K192 PolarHBondContact O-N 2.75Å; K192-G195 PolarHBondContact O-N 3.12Å; K192-I196 HydrophobicContact CG-CD1 4.15Å; K192-I196 WeakPolarHBondContact O-CG1 3.3Å; K192-I196 PolarHBondContact O-N 3.22Å; K192-F222 HydrophobicContact CB-CZ 4.5Å; K192-F222 HydrophobicContact CD-CE1 4.34Å; K192-F222 HydrophobicContact CD-CZ 3.88Å |
| 193 | L | 90.2 | Very high | 78.8 | Confident | 30 Ų | 30 | 78.8 Ų | 78.8 | 16% | 0.157 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.1 | -46.4 | 178.5 | -179.3 | 64.5 | 0 | 0 | 0 | 111.8 | C189 R190 G195 I196 I197 L213 P214 | C189-L193 WeakPolarHBondContact O-CB 3.23Å; C189-L193 PolarHBondContact O-N 3Å; R190-L193 WeakPolarHBondContact O-CB 3.43Å; R190-L193 PolarHBondContact O-N 2.87Å; L193-G195 VanDerWaalsContact C-N 3.32Å; L193-G195 PolarHBondContact O-N 3.41Å; L193-I196 WeakPolarHBondContact O-CB 3.3Å; L193-I196 PolarHBondContact O-N 3.07Å; L193-I197 HydrophobicContact CD1-CD1 4.14Å; L193-I197 HydrophobicContact CD1-CG1 4.47Å; L193-I197 HydrophobicContact CG-CD1 3.89Å; L193-I197 WeakPolarHBondContact O-CG1 3.3Å; L193-I197 PolarHBondContact O-N 2.99Å; L193-L213 HydrophobicContact CD1-CB 4.11Å; L193-L213 HydrophobicContact CD1-CD2 4.05Å; L193-L213 HydrophobicContact CD1-CG 3.8Å; L193-P214 HydrophobicContact CB-CG 4.16Å; L193-P214 HydrophobicContact CD1-CG 4.36Å |
| 194 | D | 88.6 | Confident | 79.3 | Confident | 67 Ų | 67 | 77.8 Ų | 77.8 | 36% | 0.358 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.5 | -38.5 | 179.9 | -70.2 | -19.1 | 0 | 0 | 0 | 111 | R190 R191 I197 Q198 | R190-D194 IonicContact NE-OD1 3.62Å; R190-D194 PolarHBondContact NE-OD1 3.04Å; R190-D194 VanDerWaalsContact NE-OD1 3.13Å; R190-D194 IonicContact NE-OD2 2.72Å; R190-D194 PolarHBondContact NE-OD2 2.95Å; R190-D194 WeakPolarHBondContact O-CB 3.49Å; R190-D194 PolarHBondContact O-N 2.94Å; R191-D194 PolarHBondContact O-N 2.99Å; D194-I197 PolarHBondContact O-N 3.38Å; D194-Q198 VanDerWaalsContact O-CB 3.29Å; D194-Q198 WeakPolarHBondContact O-CB 3.45Å; D194-Q198 PolarHBondContact O-N 2.98Å |
| 195 | G | 87 | Confident | 79.5 | Confident | 48 Ų | 48 | 84.6 Ų | 84.6 | 50% | 0.495 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61 | -43.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R191 K192 L193 Q198 G199 | R191-G195 PolarHBondContact O-N 3.13Å; K192-G195 PolarHBondContact O-N 3.12Å; L193-G195 VanDerWaalsContact C-N 3.32Å; L193-G195 PolarHBondContact O-N 3.41Å; G195-Q198 PolarHBondContact O-N 3.42Å; G195-G199 PolarHBondContact O-N 3.13Å |
| 196 | I | 86.1 | Confident | 79.2 | Confident | 45 Ų | 45 | 78.7 Ų | 78.7 | 23% | 0.231 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61.2 | -47.9 | 174.9 | -69.9 | 163.3 | 0 | 0 | 0 | 110.7 | K192 L193 Q198 G199 M200 L213 P214 | K192-I196 HydrophobicContact CG-CD1 4.15Å; K192-I196 WeakPolarHBondContact O-CG1 3.3Å; K192-I196 PolarHBondContact O-N 3.22Å; L193-I196 WeakPolarHBondContact O-CB 3.3Å; L193-I196 PolarHBondContact O-N 3.07Å; I196-Q198 VanDerWaalsContact C-N 3.32Å; I196-Q198 PolarHBondContact O-N 3.47Å; I196-G199 PolarHBondContact O-N 3.5Å; I196-M200 HydrophobicContact CG2-CE 3.38Å; I196-M200 WeakPolarHBondContact O-CG 3.21Å; I196-M200 PolarHBondContact O-N 3.46Å; I196-M200 VanDerWaalsContact O-N 3.15Å; I196-L213 HydrophobicContact CG2-CD1 4.11Å; I196-P214 HydrophobicContact CD1-CG 4.38Å |
| 197 | I | 84.3 | Confident | 78.8 | Confident | 67 Ų | 67 | 82.3 Ų | 82.3 | 34% | 0.344 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.3 | -40.6 | -179.9 | -68.9 | 168.1 | 0 | 0 | 0 | 110.9 | L193 D194 M200 K201 | L193-I197 HydrophobicContact CD1-CD1 4.14Å; L193-I197 HydrophobicContact CD1-CG1 4.47Å; L193-I197 HydrophobicContact CG-CD1 3.89Å; L193-I197 WeakPolarHBondContact O-CG1 3.3Å; L193-I197 PolarHBondContact O-N 2.99Å; D194-I197 PolarHBondContact O-N 3.38Å; I197-M200 PolarHBondContact O-N 3.37Å; I197-K201 PolarHBondContact O-N 2.85Å |
| 198 | Q | 82.4 | Confident | 77.4 | Confident | 97 Ų | 97 | 84.1 Ų | 84.1 | 45% | 0.453 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.9 | -43.3 | 178.9 | -170.4 | 61.5 | 23.8 | 0 | 0 | 111 | D194 G195 I196 M200 K201 | D194-Q198 VanDerWaalsContact O-CB 3.29Å; D194-Q198 WeakPolarHBondContact O-CB 3.45Å; D194-Q198 PolarHBondContact O-N 2.98Å; G195-Q198 PolarHBondContact O-N 3.42Å; I196-Q198 VanDerWaalsContact C-N 3.32Å; I196-Q198 PolarHBondContact O-N 3.47Å; Q198-M200 PolarHBondContact O-N 2.99Å; Q198-K201 WeakPolarHBondContact O-CB 3.45Å; Q198-K201 PolarHBondContact O-N 3.01Å; Q198-K201 VanDerWaalsContact O-N 3.13Å |
| 199 | G | 77.6 | Confident | 75.4 | Confident | 44 Ų | 44 | 87.7 Ų | 87.7 | 45% | 0.454 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.5 | -28 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | G195 I196 | G195-G199 PolarHBondContact O-N 3.13Å; I196-G199 PolarHBondContact O-N 3.5Å |
| 200 | M | 75.4 | Confident | 73.7 | Confident | 38 Ų | 38 | 92.2 Ų | 92.2 | 19% | 0.187 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -74.9 | -26.3 | 175.3 | -68.5 | -175.3 | -160.9 | 0 | 0 | 113.8 | I196 I197 Q198 D202 T203 V206 L211 L213 | I196-M200 HydrophobicContact CG2-CE 3.38Å; I196-M200 WeakPolarHBondContact O-CG 3.21Å; I196-M200 PolarHBondContact O-N 3.46Å; I196-M200 VanDerWaalsContact O-N 3.15Å; I197-M200 PolarHBondContact O-N 3.37Å; Q198-M200 PolarHBondContact O-N 2.99Å; M200-D202 PolarHBondContact O-N 3.44Å; M200-T203 PolarHBondContact O-N 2.91Å; M200-T203 PolarHBondContact O-OG1 3.41Å; M200-T203 VanDerWaalsContact O-OG1 3.06Å; M200-V206 HydrophobicContact SD-CG1 4.34Å; M200-L211 HydrophobicContact CE-CB 4.05Å; M200-L211 HydrophobicContact CE-CD1 3.71Å; M200-L211 HydrophobicContact CE-CD2 3.31Å; M200-L211 HydrophobicContact CE-CG 3.85Å; M200-L211 HydrophobicContact SD-CD1 4.04Å; M200-L211 HydrophobicContact SD-CD2 4.41Å; M200-L213 HydrophobicContact CE-CD1 3.62Å |
| 201 | K | 69.6 | Low | 72.6 | Confident | 134 Ų | 134 | 90.1 Ų | 90.1 | 58% | 0.583 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.6 | -27.8 | -179.6 | -72.2 | 178.2 | -171.5 | 162.8 | 0 | 112.4 | I197 Q198 T203 | I197-K201 PolarHBondContact O-N 2.85Å; Q198-K201 WeakPolarHBondContact O-CB 3.45Å; Q198-K201 PolarHBondContact O-N 3.01Å; Q198-K201 VanDerWaalsContact O-N 3.13Å; K201-T203 VanDerWaalsContact C-N 3.33Å |
| 202 | D | 65.7 | Low | 72.3 | Confident | 132 Ų | 132 | 85.8 Ų | 85.8 | 71% | 0.706 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -7.5 | -176.8 | -56.9 | -27.9 | 0 | 0 | 0 | 112 | M200 | M200-D202 PolarHBondContact O-N 3.44Š|
| 203 | T | 64.7 | Low | 72.2 | Confident | 74 Ų | 74 | 84.2 Ų | 84.2 | 45% | 0.454 | 47% | 0.465 | S | S | . | . | trans | -111.7 | 116 | 178.4 | 56.5 | 0 | 0 | 0 | 0 | 111.6 | M200 K201 R205 | M200-T203 PolarHBondContact O-N 2.91Å; M200-T203 PolarHBondContact O-OG1 3.41Å; M200-T203 VanDerWaalsContact O-OG1 3.06Å; K201-T203 VanDerWaalsContact C-N 3.33Å; T203-R205 PolarHBondContact O-N 3.06Å; T203-R205 VanDerWaalsContact O-N 3.12Å | ||
| 204 | S | 57.3 | Low | 72.3 | Confident | 131 Ų | 131 | 83 Ų | 83 | 92% | 0.916 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -62.8 | -17.8 | 179.1 | 175.9 | 0 | 0 | 0 | 0 | 114 | ||
| 205 | R | 58.6 | Low | 72.5 | Confident | 217 Ų | 217 | 83.1 Ų | 83.1 | 82% | 0.819 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -123.8 | 111.5 | 175.7 | -71.3 | -176.4 | 176.2 | -176.7 | -0.9 | 110.7 | T203 M207 | T203-R205 PolarHBondContact O-N 3.06Å; T203-R205 VanDerWaalsContact O-N 3.12Å; R205-M207 PolarHBondContact O-N 3.24Å; R205-M207 VanDerWaalsContact O-N 3.15Å |
| 206 | V | 61.3 | Low | 72.8 | Confident | 73 Ų | 73 | 82.2 Ų | 82.2 | 44% | 0.442 | 45% | 0.446 | S | S | . | . | trans | -71.4 | 101.3 | 169.5 | 176.8 | 0 | 0 | 0 | 0 | 107.4 | M200 A208 L211 | M200-V206 HydrophobicContact SD-CG1 4.34Å; V206-A208 VanDerWaalsContact C-N 3.26Å; V206-A208 PolarHBondContact O-N 3.44Å; V206-L211 HydrophobicContact CB-CD1 4.25Å; V206-L211 HydrophobicContact CG1-CD1 3.11Å | ||
| 207 | M | 58.3 | Low | 73.1 | Confident | 149 Ų | 149 | 83 Ų | 83 | 73% | 0.734 | 45% | 0.451 | S | S | * | . | trans | -69.9 | 84.4 | 173.3 | -71.9 | -138.2 | -141.1 | 0 | 0 | 109.9 | R205 L209 S210 L211 | R205-M207 PolarHBondContact O-N 3.24Å; R205-M207 VanDerWaalsContact O-N 3.15Å; M207-L209 PolarHBondContact O-N 3.3Å; M207-S210 PolarHBondContact O-N 3.15Å; M207-L211 WeakPolarHBondContact O-CD1 3.3Å; M207-L211 VanDerWaalsContact O-CG 3.31Å; M207-L211 WeakPolarHBondContact O-CG 3.12Å | ||
| 208 | A | 55.6 | Low | 73.3 | Confident | 44 Ų | 44 | 89.6 Ų | 89.6 | 36% | 0.364 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -24.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | V23 V206 S210 | V23-A208 HydrophobicContact CG1-CB 3.97Å; V206-A208 VanDerWaalsContact C-N 3.26Å; V206-A208 PolarHBondContact O-N 3.44Å; A208-S210 VanDerWaalsContact C-N 3.32Å; A208-S210 PolarHBondContact O-N 3.14Å |
| 209 | L | 53 | Low | 73.6 | Confident | 102 Ų | 102 | 92.6 Ų | 92.6 | 53% | 0.534 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -23.4 | -174.7 | -89.9 | 84 | 0 | 0 | 0 | 115.2 | E26 M207 R231 | E26-L209 HydrophobicContact CB-CD1 4.29Å; E26-L209 WeakPolarHBondContact OE2-CD1 3.32Å; E26-L209 WeakPolarHBondContact OE2-CD2 3.49Å; M207-L209 PolarHBondContact O-N 3.3Å; L209-R231 PolarHBondContact O-NH2 3.47Å |
| 210 | S | 57.5 | Low | 74.2 | Confident | 96 Ų | 96 | 90.6 Ų | 90.6 | 67% | 0.671 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117 | -0.8 | -177.5 | 64 | 0 | 0 | 0 | 0 | 114.3 | M207 A208 Y212 | M207-S210 PolarHBondContact O-N 3.15Å; A208-S210 VanDerWaalsContact C-N 3.32Å; A208-S210 PolarHBondContact O-N 3.14Å; S210-Y212 PolarHBondContact O-N 2.66Å; S210-Y212 VanDerWaalsContact O-N 3.15Å |
| 211 | L | 71.3 | Confident | 75.1 | Confident | 46 Ų | 46 | 91.8 Ų | 91.8 | 24% | 0.241 | 47% | 0.466 | C | S | . | . | trans | -83.8 | 101.2 | -171.7 | -68.7 | 171.5 | 0 | 0 | 0 | 111.6 | M200 V206 M207 P229 | M200-L211 HydrophobicContact CE-CB 4.05Å; M200-L211 HydrophobicContact CE-CD1 3.71Å; M200-L211 HydrophobicContact CE-CD2 3.31Å; M200-L211 HydrophobicContact CE-CG 3.85Å; M200-L211 HydrophobicContact SD-CD1 4.04Å; M200-L211 HydrophobicContact SD-CD2 4.41Å; V206-L211 HydrophobicContact CB-CD1 4.25Å; V206-L211 HydrophobicContact CG1-CD1 3.11Å; M207-L211 WeakPolarHBondContact O-CD1 3.3Å; M207-L211 VanDerWaalsContact O-CG 3.31Å; M207-L211 WeakPolarHBondContact O-CG 3.12Å; L211-P229 VanDerWaalsContact O-CG 3.29Å; L211-P229 WeakPolarHBondContact O-CG 3.44Å | ||
| 212 | Y | 82.6 | Confident | 76.2 | Confident | 55 Ų | 55 | 86.1 Ų | 86.1 | 22% | 0.216 | 44% | 0.442 | C | S | . | . | trans | -91.2 | 115.7 | 168.6 | 171.1 | -109.9 | 0 | 0 | 0 | 109.9 | S210 P214 Q226 W239 | S210-Y212 PolarHBondContact O-N 2.66Å; S210-Y212 VanDerWaalsContact O-N 3.15Å; Y212-P214 HydrophobicContact CE1-CB 4.14Å; Y212-Q226 WeakPolarHBondContact OH-CB 3.34Å; Y212-Q226 PolarHBondContact OH-OE1 3.42Å; Y212-W239 HydrophobicContact CD2-CH2 4.04Å; Y212-W239 HydrophobicContact CE1-CZ2 4.45Å; Y212-W239 AromaticContact CE2-CH2 3.43Å; Y212-W239 HydrophobicContact CE2-CH2 3.43Å; Y212-W239 VanDerWaalsContact CE2-CH2 3.43Å; Y212-W239 AromaticContact CE2-CZ2 3.79Å; Y212-W239 HydrophobicContact CE2-CZ2 3.79Å; Y212-W239 AromaticContact CZ-CH2 3.82Å; Y212-W239 AromaticContact CZ-CZ2 3.66Å; Y212-W239 WeakPolarHBondContact OH-CZ2 3.49Å | ||
| 213 | L | 89.2 | Confident | 77.5 | Confident | 79 Ų | 79 | 85.1 Ų | 85.1 | 41% | 0.414 | 43% | 0.431 | S | S | . | . | trans | -99.3 | 122.1 | 168.7 | -90.8 | 65.4 | 0 | 0 | 0 | 109.3 | L193 I196 M200 | L193-L213 HydrophobicContact CD1-CB 4.11Å; L193-L213 HydrophobicContact CD1-CD2 4.05Å; L193-L213 HydrophobicContact CD1-CG 3.8Å; I196-L213 HydrophobicContact CG2-CD1 4.11Å; M200-L213 HydrophobicContact CE-CD1 3.62Å | ||
| 214 | P | 92.4 | Very high | 78.8 | Confident | 6 Ų | 6 | 84.9 Ų | 84.9 | 4% | 0.039 | 42% | 0.422 | C | S | . | . | trans | -70.6 | 141.9 | 178.3 | 30.5 | -35.8 | 0 | 0 | 0 | 111.4 | L193 I196 Y212 C216 F222 | L193-P214 HydrophobicContact CB-CG 4.16Å; L193-P214 HydrophobicContact CD1-CG 4.36Å; I196-P214 HydrophobicContact CD1-CG 4.38Å; Y212-P214 HydrophobicContact CE1-CB 4.14Å; P214-C216 PolarHBondContact O-N 3.26Å; P214-F222 HydrophobicContact CB-CD1 4.09Å; P214-F222 HydrophobicContact CB-CE1 3.64Å; P214-F222 HydrophobicContact CG-CE1 4.4Å | ||
| 215 | N | 92.6 | Very high | 80.3 | Confident | 69 Ų | 69 | 81.8 Ų | 81.8 | 37% | 0.369 | 39% | 0.392 | S | S | . | . | trans | -84 | 112.7 | 175.9 | -62.1 | -83.5 | 0 | 0 | 0 | 109.2 | K223 Q226 | N215-K223 HydrophobicContact CB-CB 4.24Å; N215-K223 HydrophobicContact CB-CD 4.29Å; N215-K223 HydrophobicContact CB-CG 4.44Å; N215-K223 WeakPolarHBondContact O-CB 3.19Å; N215-K223 PolarHBondContact O-N 2.75Å; N215-Q226 PolarHBondContact ND2-OE1 3.25Å; N215-Q226 PolarHBondContact O-NE2 3.27Å | ||
| 216 | C | 93.8 | Very high | 81.8 | Confident | 29 Ų | 29 | 71.5 Ų | 71.5 | 20% | 0.196 | 35% | 0.353 | C | S | . | . | B | Isolated β-bridge | trans | -100.3 | 151.3 | 179 | -47.9 | 0 | 0 | 0 | 0 | 111.7 | C189 P214 F221 K223 | C189-C216 HydrophobicContact CB-CB 3.8Å; C189-C216 WeakPolarHBondContact CB-SG 3.24Å; C189-C216 PolarHBondContact O-SG 2.72Å; C189-C216 WeakPolarHBondContact SG-CA 3.46Å; C189-C216 WeakPolarHBondContact SG-CB 3.42Å; C189-C216 CovalentContact SG-SG 2.05Å; C189-C216 PolarHBondContact SG-SG 3.06Å; P214-C216 PolarHBondContact O-N 3.26Å; C216-F221 CarbonylContact C-O 3.49Å; C216-F221 VanDerWaalsContact CA-O 3.27Å; C216-F221 WeakPolarHBondContact CA-O 3.44Å; C216-K223 VanDerWaalsContact O-CE 3.3Å; C216-K223 WeakPolarHBondContact O-CE 3.09Å |
| 217 | D | 91.4 | Very high | 82.9 | Confident | 62 Ų | 62 | 69.8 Ų | 69.8 | 33% | 0.332 | 34% | 0.344 | S | S | . | . | trans | -79.3 | -175.9 | 167.4 | 73.5 | 12.1 | 0 | 0 | 0 | 111.5 | K219 G220 F221 K223 | D217-K219 VanDerWaalsContact C-N 3.3Å; D217-K219 PolarHBondContact O-N 3.41Å; D217-K219 VanDerWaalsContact OD1-C 3.31Å; D217-K219 WeakPolarHBondContact OD1-CA 3.27Å; D217-K219 PolarHBondContact OD1-N 2.98Å; D217-G220 PolarHBondContact O-N 3.32Å; D217-G220 PolarHBondContact OD1-N 3.46Å; D217-F221 PolarHBondContact N-O 3.21Å; D217-F221 PolarHBondContact OD1-N 2.94Å; D217-K223 HydrophobicContact CB-CG 4.32Å | ||
| 218 | R | 88.5 | Confident | 84.1 | Confident | 205 Ų | 205 | 68.1 Ų | 68.1 | 77% | 0.774 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -26.8 | 179.9 | -63.6 | -175.5 | -178.1 | -173.2 | 2.4 | 113 | G220 | R218-G220 VanDerWaalsContact C-N 3.32Š|
| 219 | K | 88.4 | Confident | 85.2 | Confident | 159 Ų | 159 | 69.4 Ų | 69.4 | 69% | 0.691 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -7.2 | 178.5 | -63.1 | -179 | -179.1 | -179.8 | 0 | 112 | G187 D217 F221 | G187-K219 PolarHBondContact N-O 3.33Å; D217-K219 VanDerWaalsContact C-N 3.3Å; D217-K219 PolarHBondContact O-N 3.41Å; D217-K219 VanDerWaalsContact OD1-C 3.31Å; D217-K219 WeakPolarHBondContact OD1-CA 3.27Å; D217-K219 PolarHBondContact OD1-N 2.98Å; K219-F221 HydrophobicContact CB-CD2 3.82Å; K219-F221 HydrophobicContact CB-CE2 4.18Å |
| 220 | G | 91.2 | Very high | 86.3 | Confident | 2 Ų | 2 | 67.1 Ų | 67.1 | 2% | 0.021 | 33% | 0.33 | C | S | . | . | S | Bend | trans | 86.7 | 12.5 | 180 | 0 | 0 | 0 | 0 | 0 | 114.5 | G187 C189 R190 D217 R218 | G187-G220 CarbonylContact C-O 3.51Å; G187-G220 WeakPolarHBondContact CA-O 3.36Å; C189-G220 WeakPolarHBondContact CA-O 3.44Å; C189-G220 WeakPolarHBondContact CB-O 3.2Å; C189-G220 PolarHBondContact N-O 3.42Å; R190-G220 PolarHBondContact N-O 3.07Å; R190-G220 VanDerWaalsContact N-O 3.09Å; D217-G220 PolarHBondContact O-N 3.32Å; D217-G220 PolarHBondContact OD1-N 3.46Å; R218-G220 VanDerWaalsContact C-N 3.32Å |
| 221 | F | 94.1 | Very high | 87 | Confident | 63 Ų | 63 | 70.9 Ų | 70.9 | 28% | 0.276 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -85.8 | 164.7 | 170.5 | -67.1 | -90.1 | 0 | 0 | 0 | 111 | P188 C189 C216 D217 K219 K223 K243 Y244 | P188-F221 HydrophobicContact CG-CD1 4.01Å; P188-F221 HydrophobicContact CG-CE1 4.33Å; C189-F221 VanDerWaalsContact CB-C 3.4Å; C216-F221 CarbonylContact C-O 3.49Å; C216-F221 VanDerWaalsContact CA-O 3.27Å; C216-F221 WeakPolarHBondContact CA-O 3.44Å; D217-F221 PolarHBondContact N-O 3.21Å; D217-F221 PolarHBondContact OD1-N 2.94Å; K219-F221 HydrophobicContact CB-CD2 3.82Å; K219-F221 HydrophobicContact CB-CE2 4.18Å; F221-K223 PolarHBondContact O-N 3.05Å; F221-K243 HydrophobicContact CB-CB 4.4Å; F221-K243 HydrophobicContact CD1-CB 4.23Å; F221-K243 HydrophobicContact CD1-CG 4.44Å; F221-Y244 HydrophobicContact CE1-CE1 4.49Å |
| 222 | F | 93.6 | Very high | 86.8 | Confident | 16 Ų | 16 | 70.2 Ų | 70.2 | 7% | 0.07 | 33% | 0.333 | C | S | . | . | B | Isolated β-bridge | trans | -69.5 | 130.8 | 178.2 | -72.3 | -94.5 | 0 | 0 | 0 | 109.5 | P188 C189 K192 P214 V241 K243 Y244 G245 | P188-F222 HydrophobicContact CB-CE2 4.23Å; P188-F222 HydrophobicContact CG-CD2 4.41Å; P188-F222 HydrophobicContact CG-CE2 4.34Å; C189-F222 VanDerWaalsContact CA-CE2 3.44Å; C189-F222 HydrophobicContact CB-CB 4.3Å; C189-F222 HydrophobicContact CB-CD1 3.87Å; C189-F222 HydrophobicContact CB-CD2 3.54Å; C189-F222 HydrophobicContact CB-CE1 4.02Å; C189-F222 HydrophobicContact CB-CE2 3.7Å; C189-F222 HydrophobicContact CB-CG 3.64Å; C189-F222 HydrophobicContact CB-CZ 3.94Å; K192-F222 HydrophobicContact CB-CZ 4.5Å; K192-F222 HydrophobicContact CD-CE1 4.34Å; K192-F222 HydrophobicContact CD-CZ 3.88Å; P214-F222 HydrophobicContact CB-CD1 4.09Å; P214-F222 HydrophobicContact CB-CE1 3.64Å; P214-F222 HydrophobicContact CG-CE1 4.4Å; F222-V241 HydrophobicContact CB-CG2 3.98Å; F222-K243 PolarHBondContact N-O 3.33Å; F222-K243 VanDerWaalsContact N-O 3.14Å; F222-Y244 VanDerWaalsContact CD2-O 3.3Å; F222-Y244 WeakPolarHBondContact CD2-O 3.3Å; F222-Y244 WeakPolarHBondContact CE2-O 3.43Å; F222-G245 VanDerWaalsContact CD2-N 3.33Å |
| 223 | K | 93.1 | Very high | 86.1 | Confident | 111 Ų | 111 | 71.8 Ų | 71.8 | 48% | 0.483 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 141.4 | 165.7 | -72.5 | -165.7 | 175.4 | -174.6 | 0 | 109.1 | N215 C216 D217 F221 K225 Q226 V241 | N215-K223 HydrophobicContact CB-CB 4.24Å; N215-K223 HydrophobicContact CB-CD 4.29Å; N215-K223 HydrophobicContact CB-CG 4.44Å; N215-K223 WeakPolarHBondContact O-CB 3.19Å; N215-K223 PolarHBondContact O-N 2.75Å; C216-K223 VanDerWaalsContact O-CE 3.3Å; C216-K223 WeakPolarHBondContact O-CE 3.09Å; D217-K223 HydrophobicContact CB-CG 4.32Å; F221-K223 PolarHBondContact O-N 3.05Å; K223-K225 PolarHBondContact O-N 3.01Å; K223-K225 VanDerWaalsContact O-N 3.16Å; K223-Q226 PolarHBondContact O-NE2 3.14Å; K223-V241 WeakPolarHBondContact O-CG2 3.38Å |
| 224 | R | 90.5 | Very high | 85.3 | Confident | 68 Ų | 68 | 75.9 Ų | 75.9 | 26% | 0.257 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -54.8 | -37.5 | -178.4 | -157.3 | -176.6 | -176.5 | 96.3 | 13.8 | 113.3 | C240 V241 C260 K261 D262 L263 | R224-C240 CarbonylContact O-C 2.94Å; R224-C240 WeakPolarHBondContact O-CA 3.45Å; R224-V241 WeakPolarHBondContact CA-O 3.38Å; R224-V241 WeakPolarHBondContact CG-O 3.07Å; R224-V241 PolarHBondContact O-N 3Å; R224-C260 HydrophobicContact CB-CB 4.25Å; R224-C260 WeakPolarHBondContact CD-O 3.48Å; R224-C260 HydrophobicContact CG-CB 3.65Å; R224-C260 PolarHBondContact NE-O 3.35Å; R224-K261 PolarHBondContact NE-O 3.49Å; R224-K261 PolarHBondContact NH2-O 3.28Å; R224-D262 WeakPolarHBondContact CD-OD1 3.49Å; R224-D262 VanDerWaalsContact CZ-CA 3.42Å; R224-D262 IonicContact CZ-OD1 3.25Å; R224-D262 IonicContact NE-OD1 3.57Å; R224-D262 IonicContact NH1-OD1 2.91Å; R224-D262 PolarHBondContact NH1-OD1 3.29Å; R224-L263 VanDerWaalsContact NH2-N 3.17Å |
| 225 | K | 89.3 | Confident | 84.7 | Confident | 67 Ų | 67 | 79.3 Ų | 79.3 | 29% | 0.291 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 120.2 | 174.2 | -175 | 169.7 | 177.9 | 161.7 | 0 | 110.3 | K223 C238 G256 I258 | K223-K225 PolarHBondContact O-N 3.01Å; K223-K225 VanDerWaalsContact O-N 3.16Å; K225-C238 HydrophobicContact CG-CB 4.25Å; K225-G256 PolarHBondContact NZ-O 3.34Å; K225-I258 HydrophobicContact CD-CG2 4.01Å; K225-I258 HydrophobicContact CG-CG2 4.23Å; K225-I258 PolarHBondContact NZ-O 3.05Å |
| 226 | Q | 89.4 | Confident | 84 | Confident | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 146.4 | 172.7 | -65.7 | -59.4 | -37.1 | 0 | 0 | 110 | Y212 N215 K223 C238 W239 V241 | Y212-Q226 WeakPolarHBondContact OH-CB 3.34Å; Y212-Q226 PolarHBondContact OH-OE1 3.42Å; N215-Q226 PolarHBondContact ND2-OE1 3.25Å; N215-Q226 PolarHBondContact O-NE2 3.27Å; K223-Q226 PolarHBondContact O-NE2 3.14Å; Q226-C238 CarbonylContact O-C 3.55Å; Q226-C238 WeakPolarHBondContact O-CA 3.47Å; Q226-C238 VanDerWaalsContact O-CB 3.3Å; Q226-C238 WeakPolarHBondContact O-CB 3.49Å; Q226-W239 HydrophobicContact CB-CD2 4.08Å; Q226-W239 HydrophobicContact CB-CH2 4.27Å; Q226-W239 HydrophobicContact CB-CZ2 3.72Å; Q226-W239 PolarHBondContact N-O 2.95Å; Q226-W239 PolarHBondContact O-N 3.41Å; Q226-V241 HydrophobicContact CB-CG1 4.48Å; Q226-V241 HydrophobicContact CG-CB 4.42Å; Q226-V241 HydrophobicContact CG-CG1 3.92Å; Q226-V241 HydrophobicContact CG-CG2 3.54Å |
| 227 | C | 86.2 | Confident | 83.5 | Confident | 37 Ų | 37 | 79.3 Ų | 79.3 | 25% | 0.25 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 141 | -179.1 | -57.8 | 0 | 0 | 0 | 0 | 111 | I237 C238 | C227-I237 CarbonylContact C-O 3.47Å; C227-I237 VanDerWaalsContact CA-O 3.31Å; C227-I237 WeakPolarHBondContact CA-O 3.36Å; C227-C238 HydrophobicContact CB-CB 4.07Å; C227-C238 WeakPolarHBondContact CB-SG 3.24Å; C227-C238 WeakPolarHBondContact SG-CB 3.42Å; C227-C238 CovalentContact SG-SG 2.04Å; C227-C238 PolarHBondContact SG-SG 3.45Å |
| 228 | K | 83.4 | Confident | 83.3 | Confident | 114 Ų | 114 | 76.7 Ų | 76.7 | 50% | 0.496 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 156.7 | 165.9 | -66.2 | -150.3 | 179.1 | 177.9 | 0 | 110.1 | G236 I237 W239 | K228-G236 VanDerWaalsContact O-CA 3.25Å; K228-G236 WeakPolarHBondContact O-CA 3.33Å; K228-I237 PolarHBondContact N-O 3.12Å; K228-W239 HydrophobicContact CB-CZ3 4.46Å; K228-W239 HydrophobicContact CG-CH2 3.83Å; K228-W239 HydrophobicContact CG-CZ3 3.59Å |
| 229 | P | 78.7 | Confident | 83.2 | Confident | 71 Ų | 71 | 68.4 Ų | 68.4 | 46% | 0.461 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -53.9 | 151.3 | 167.7 | -23.6 | 33.1 | 0 | 0 | 0 | 111.7 | L211 | L211-P229 VanDerWaalsContact O-CG 3.29Å; L211-P229 WeakPolarHBondContact O-CG 3.44Å |
| 230 | S | 75.9 | Confident | 83.3 | Confident | 55 Ų | 55 | 61 Ų | 61 | 39% | 0.385 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 144.7 | 175.6 | -58.3 | 0 | 0 | 0 | 0 | 110.4 | Y68 K234 G236 | Y68-S230 WeakPolarHBondContact CE1-OG 3.4Å; Y68-S230 PolarHBondContact OH-OG 2.83Å; S230-K234 WeakPolarHBondContact CB-O 3.29Å; S230-G236 PolarHBondContact OG-N 3.49Å |
| 231 | R | 71.8 | Confident | 83.3 | Confident | 175 Ų | 175 | 61 Ų | 61 | 66% | 0.66 | 29% | 0.287 | S | S | * | . | B | Isolated β-bridge | trans | -118.9 | 106.8 | 177.7 | -72 | -168.8 | 171.4 | -179.2 | -4.3 | 109.5 | L209 R233 K234 | L209-R231 PolarHBondContact O-NH2 3.47Å; R231-R233 PolarHBondContact O-N 2.94Å; R231-K234 PolarHBondContact N-O 3.34Å; R231-K234 PolarHBondContact O-N 3.36Å; R231-K234 VanDerWaalsContact O-N 3.15Å |
| 232 | G | 67.9 | Low | 83.2 | Confident | 31 Ų | 31 | 60.8 Ų | 60.8 | 32% | 0.32 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | -120.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 233 | R | 66.3 | Low | 83.1 | Confident | 89 Ų | 89 | 65.8 Ų | 65.8 | 34% | 0.336 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -14.7 | -179.5 | -44.2 | -162.7 | 158 | 156.6 | -17.2 | 114.8 | E48 P49 T56 Y68 R231 | E48-R233 IonicContact OE1-CZ 2.85Å; E48-R233 IonicContact OE1-NE 3.6Å; E48-R233 IonicContact OE1-NH1 2.84Å; E48-R233 PolarHBondContact OE1-NH1 3.03Å; E48-R233 IonicContact OE1-NH2 2.89Å; E48-R233 PolarHBondContact OE1-NH2 3.34Å; E48-R233 IonicContact OE2-CZ 3.95Å; E48-R233 IonicContact OE2-NE 3.98Å; P49-R233 HydrophobicContact CG-CB 4.35Å; P49-R233 HydrophobicContact CG-CG 3.83Å; T56-R233 PolarHBondContact OG1-NH2 3.06Å; Y68-R233 WeakPolarHBondContact CD1-O 3.49Å; R231-R233 PolarHBondContact O-N 2.94Å |
| 234 | K | 73.4 | Confident | 83 | Confident | 165 Ų | 165 | 67 Ų | 67 | 72% | 0.717 | 31% | 0.313 | S | S | * | . | B | Isolated β-bridge | trans | -92.7 | 128.7 | -171.6 | -66.7 | -172.6 | -179.5 | -177.6 | 0 | 109.8 | S230 R231 | S230-K234 WeakPolarHBondContact CB-O 3.29Å; R231-K234 PolarHBondContact N-O 3.34Å; R231-K234 PolarHBondContact O-N 3.36Å; R231-K234 VanDerWaalsContact O-N 3.15Å |
| 235 | R | 79 | Confident | 83 | Confident | 77 Ų | 77 | 65 Ų | 65 | 29% | 0.291 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 141.2 | 169.7 | -168.9 | 162.2 | -176.5 | 157.6 | -6.5 | 109.1 | Y68 L92 H93 I237 | Y68-R235 HydrophobicContact CD2-CB 4.22Å; Y68-R235 HydrophobicContact CD2-CG 4.48Å; Y68-R235 HydrophobicContact CE1-CB 4.26Å; Y68-R235 HydrophobicContact CE2-CB 3.93Å; Y68-R235 HydrophobicContact CE2-CG 3.78Å; L92-R235 PolarHBondContact O-NH1 3.2Å; H93-R235 PolarHBondContact NE2-NH1 3.25Å; R235-I237 PolarHBondContact O-N 2.94Å |
| 236 | G | 78.6 | Confident | 83.1 | Confident | 7 Ų | 7 | 65 Ų | 65 | 7% | 0.072 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -52.1 | 138.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | K228 S230 | K228-G236 VanDerWaalsContact O-CA 3.25Å; K228-G236 WeakPolarHBondContact O-CA 3.33Å; S230-G236 PolarHBondContact OG-N 3.49Å |
| 237 | I | 83.1 | Confident | 83 | Confident | 92 Ų | 92 | 69.8 Ų | 69.8 | 47% | 0.472 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 132.4 | 174.3 | -62.2 | 171 | 0 | 0 | 0 | 107.9 | C227 K228 R235 W239 Y253 | C227-I237 CarbonylContact C-O 3.47Å; C227-I237 VanDerWaalsContact CA-O 3.31Å; C227-I237 WeakPolarHBondContact CA-O 3.36Å; K228-I237 PolarHBondContact N-O 3.12Å; R235-I237 PolarHBondContact O-N 2.94Å; I237-W239 WeakPolarHBondContact O-CZ3 3.29Å; I237-Y253 HydrophobicContact CG2-CD1 3.16Å; I237-Y253 HydrophobicContact CG2-CE1 3.81Å; I237-Y253 HydrophobicContact CG2-CG 3.98Å |
| 238 | C | 86.1 | Confident | 82.9 | Confident | 7 Ų | 7 | 69.3 Ų | 69.3 | 5% | 0.047 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 150.4 | 179 | -56 | 0 | 0 | 0 | 0 | 111.4 | K225 Q226 C227 I258 | K225-C238 HydrophobicContact CG-CB 4.25Å; Q226-C238 CarbonylContact O-C 3.55Å; Q226-C238 WeakPolarHBondContact O-CA 3.47Å; Q226-C238 VanDerWaalsContact O-CB 3.3Å; Q226-C238 WeakPolarHBondContact O-CB 3.49Å; C227-C238 HydrophobicContact CB-CB 4.07Å; C227-C238 WeakPolarHBondContact CB-SG 3.24Å; C227-C238 WeakPolarHBondContact SG-CB 3.42Å; C227-C238 CovalentContact SG-SG 2.04Å; C227-C238 PolarHBondContact SG-SG 3.45Å; C238-I258 HydrophobicContact CB-CG2 3.65Å |
| 239 | W | 88.3 | Confident | 82.6 | Confident | 31 Ų | 31 | 69.7 Ų | 69.7 | 12% | 0.117 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 163.5 | 176.8 | 62.8 | 99.4 | 0 | 0 | 0 | 110.2 | Y212 Q226 K228 I237 V241 Y253 | Y212-W239 HydrophobicContact CD2-CH2 4.04Å; Y212-W239 HydrophobicContact CE1-CZ2 4.45Å; Y212-W239 AromaticContact CE2-CH2 3.43Å; Y212-W239 HydrophobicContact CE2-CH2 3.43Å; Y212-W239 VanDerWaalsContact CE2-CH2 3.43Å; Y212-W239 AromaticContact CE2-CZ2 3.79Å; Y212-W239 HydrophobicContact CE2-CZ2 3.79Å; Y212-W239 AromaticContact CZ-CH2 3.82Å; Y212-W239 AromaticContact CZ-CZ2 3.66Å; Y212-W239 WeakPolarHBondContact OH-CZ2 3.49Å; Q226-W239 HydrophobicContact CB-CD2 4.08Å; Q226-W239 HydrophobicContact CB-CH2 4.27Å; Q226-W239 HydrophobicContact CB-CZ2 3.72Å; Q226-W239 PolarHBondContact N-O 2.95Å; Q226-W239 PolarHBondContact O-N 3.41Å; K228-W239 HydrophobicContact CB-CZ3 4.46Å; K228-W239 HydrophobicContact CG-CH2 3.83Å; K228-W239 HydrophobicContact CG-CZ3 3.59Å; I237-W239 WeakPolarHBondContact O-CZ3 3.29Å; W239-V241 VanDerWaalsContact CD1-CG1 3.44Å; W239-V241 VanDerWaalsContact NE1-CG1 3.34Å; W239-Y253 HydrophobicContact CB-CE1 4.25Å |
| 240 | C | 90.4 | Very high | 82.1 | Confident | 3 Ų | 3 | 70.4 Ų | 70.4 | 2% | 0.02 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 140.4 | 176.2 | -55.6 | 0 | 0 | 0 | 0 | 111.4 | R224 Q247 V248 T251 I258 C260 | R224-C240 CarbonylContact O-C 2.94Å; R224-C240 WeakPolarHBondContact O-CA 3.45Å; C240-Q247 WeakPolarHBondContact O-CA 3.35Å; C240-V248 HydrophobicContact CB-CB 4.37Å; C240-V248 HydrophobicContact CB-CG2 4.44Å; C240-V248 PolarHBondContact O-N 3.09Å; C240-T251 HydrophobicContact CB-CG2 3.71Å; C240-I258 WeakPolarHBondContact SG-CD1 3.48Å; C240-C260 VanDerWaalsContact CA-SG 3.53Å; C240-C260 HydrophobicContact CB-CB 3.84Å; C240-C260 WeakPolarHBondContact CB-SG 3.5Å; C240-C260 WeakPolarHBondContact SG-CA 3.41Å; C240-C260 WeakPolarHBondContact SG-CB 3.18Å; C240-C260 CovalentContact SG-SG 2.03Å; C240-C260 PolarHBondContact SG-SG 3.49Å |
| 241 | V | 91.3 | Very high | 81.5 | Confident | 2 Ų | 2 | 69.2 Ų | 69.2 | 1% | 0.012 | 37% | 0.366 | C | S | . | . | B | Isolated β-bridge | trans | -130.4 | 158.2 | 175.6 | -58.9 | 0 | 0 | 0 | 0 | 110.8 | F222 K223 R224 Q226 W239 S246 | F222-V241 HydrophobicContact CB-CG2 3.98Å; K223-V241 WeakPolarHBondContact O-CG2 3.38Å; R224-V241 WeakPolarHBondContact CA-O 3.38Å; R224-V241 WeakPolarHBondContact CG-O 3.07Å; R224-V241 PolarHBondContact O-N 3Å; Q226-V241 HydrophobicContact CB-CG1 4.48Å; Q226-V241 HydrophobicContact CG-CB 4.42Å; Q226-V241 HydrophobicContact CG-CG1 3.92Å; Q226-V241 HydrophobicContact CG-CG2 3.54Å; W239-V241 VanDerWaalsContact CD1-CG1 3.44Å; W239-V241 VanDerWaalsContact NE1-CG1 3.34Å; V241-S246 CarbonylContact C-O 3.06Å; V241-S246 WeakPolarHBondContact CA-O 3.44Å; V241-S246 WeakPolarHBondContact CB-O 3.5Å |
| 242 | D | 91 | Very high | 80.7 | Confident | 59 Ų | 59 | 67 Ų | 67 | 32% | 0.316 | 37% | 0.368 | S | S | . | . | trans | -74.7 | 179 | 165.7 | 71.6 | 14.7 | 0 | 0 | 0 | 112 | Y244 G245 S246 | D242-Y244 PolarHBondContact O-N 3.3Å; D242-Y244 VanDerWaalsContact O-N 3.11Å; D242-Y244 VanDerWaalsContact OD1-C 3.3Å; D242-Y244 VanDerWaalsContact OD1-CA 3.3Å; D242-Y244 WeakPolarHBondContact OD1-CA 3.45Å; D242-Y244 WeakPolarHBondContact OD1-CB 3.39Å; D242-Y244 PolarHBondContact OD1-N 3.47Å; D242-G245 PolarHBondContact O-N 3.4Å; D242-G245 PolarHBondContact OD1-N 3.32Å; D242-S246 PolarHBondContact N-O 2.84Å; D242-S246 PolarHBondContact OD1-N 2.75Å; D242-S246 VanDerWaalsContact OD2-CB 3.3Å; D242-S246 WeakPolarHBondContact OD2-CB 3.43Å; D242-S246 PolarHBondContact OD2-OG 3.01Å | ||
| 243 | K | 90.9 | Very high | 80.3 | Confident | 121 Ų | 121 | 71.3 Ų | 71.3 | 53% | 0.526 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -18.9 | 179.5 | 69.2 | -172.5 | -177.6 | -172.7 | 0 | 114.1 | F221 F222 | F221-K243 HydrophobicContact CB-CB 4.4Å; F221-K243 HydrophobicContact CD1-CB 4.23Å; F221-K243 HydrophobicContact CD1-CG 4.44Å; F222-K243 PolarHBondContact N-O 3.33Å; F222-K243 VanDerWaalsContact N-O 3.14Å |
| 244 | Y | 91.4 | Very high | 79.7 | Confident | 135 Ų | 135 | 70.9 Ų | 70.9 | 53% | 0.529 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -6.7 | 179.4 | -57.5 | -75 | 0 | 0 | 0 | 113.1 | P188 F221 F222 D242 | P188-Y244 HydrophobicContact CG-CD1 4.09Å; F221-Y244 HydrophobicContact CE1-CE1 4.49Å; F222-Y244 VanDerWaalsContact CD2-O 3.3Å; F222-Y244 WeakPolarHBondContact CD2-O 3.3Å; F222-Y244 WeakPolarHBondContact CE2-O 3.43Å; D242-Y244 PolarHBondContact O-N 3.3Å; D242-Y244 VanDerWaalsContact O-N 3.11Å; D242-Y244 VanDerWaalsContact OD1-C 3.3Å; D242-Y244 VanDerWaalsContact OD1-CA 3.3Å; D242-Y244 WeakPolarHBondContact OD1-CA 3.45Å; D242-Y244 WeakPolarHBondContact OD1-CB 3.39Å; D242-Y244 PolarHBondContact OD1-N 3.47Å |
| 245 | G | 90.2 | Very high | 78.8 | Confident | 28 Ų | 28 | 66 Ų | 66 | 29% | 0.289 | 38% | 0.382 | S | S | . | . | S | Bend | trans | 95.1 | 8.2 | 177 | 0 | 0 | 0 | 0 | 0 | 114.6 | F222 D242 | F222-G245 VanDerWaalsContact CD2-N 3.33Å; D242-G245 PolarHBondContact O-N 3.4Å; D242-G245 PolarHBondContact OD1-N 3.32Å |
| 246 | S | 90.8 | Very high | 77.7 | Confident | 67 Ų | 67 | 62.6 Ų | 62.6 | 47% | 0.469 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -76.8 | 134.3 | 175.3 | -48.1 | 0 | 0 | 0 | 0 | 110.2 | V241 D242 | V241-S246 CarbonylContact C-O 3.06Å; V241-S246 WeakPolarHBondContact CA-O 3.44Å; V241-S246 WeakPolarHBondContact CB-O 3.5Å; D242-S246 PolarHBondContact N-O 2.84Å; D242-S246 PolarHBondContact OD1-N 2.75Å; D242-S246 VanDerWaalsContact OD2-CB 3.3Å; D242-S246 WeakPolarHBondContact OD2-CB 3.43Å; D242-S246 PolarHBondContact OD2-OG 3.01Å |
| 247 | Q | 88.2 | Confident | 76.9 | Confident | 99 Ų | 99 | 67.7 Ų | 67.7 | 46% | 0.463 | 40% | 0.397 | S | S | . | . | B | Isolated β-bridge | trans | -67.9 | 134.5 | -178.8 | -173.5 | 172.1 | 0.5 | 0 | 0 | 111.3 | C240 Y253 | C240-Q247 WeakPolarHBondContact O-CA 3.35Å; Q247-Y253 PolarHBondContact NE2-OH 3.34Å |
| 248 | V | 84.2 | Confident | 76.5 | Confident | 28 Ų | 28 | 64.1 Ų | 64.1 | 17% | 0.17 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -81.5 | 130.7 | 178.1 | -176.8 | 0 | 0 | 0 | 0 | 109.7 | C240 T251 L263 | C240-V248 HydrophobicContact CB-CB 4.37Å; C240-V248 HydrophobicContact CB-CG2 4.44Å; C240-V248 PolarHBondContact O-N 3.09Å; V248-T251 PolarHBondContact O-OG1 3.4Å; V248-L263 HydrophobicContact CG1-CD1 4.11Å |
| 249 | P | 76.8 | Confident | 76 | Confident | 122 Ų | 122 | 71.2 Ų | 71.2 | 79% | 0.792 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 147.9 | 177.7 | -23.2 | 32.7 | 0 | 0 | 0 | 113 | T251 | P249-T251 PolarHBondContact O-N 3.47Š|
| 250 | G | 67.8 | Low | 75.7 | Confident | 86 Ų | 86 | 71 Ų | 71 | 89% | 0.887 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | 9.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | D252 | G250-D252 PolarHBondContact O-N 2.96Š|
| 251 | T | 63.5 | Low | 75.1 | Confident | 30 Ų | 30 | 79.1 Ų | 79.1 | 18% | 0.184 | 45% | 0.449 | C | S | . | . | trans | -97.9 | 81.8 | 178.2 | 54.5 | 0 | 0 | 0 | 0 | 110.7 | C240 V248 P249 I258 | C240-T251 HydrophobicContact CB-CG2 3.71Å; V248-T251 PolarHBondContact O-OG1 3.4Å; P249-T251 PolarHBondContact O-N 3.47Å; T251-I258 HydrophobicContact CG2-CD1 4.18Å | ||
| 252 | D | 55.1 | Low | 73.8 | Confident | 129 Ų | 129 | 84.6 Ų | 84.6 | 69% | 0.69 | 48% | 0.478 | S | S | * | . | trans | -82.9 | 150.2 | 179.8 | -152.3 | -3.4 | 0 | 0 | 0 | 112.4 | G250 S254 | G250-D252 PolarHBondContact O-N 2.96Å; D252-S254 VanDerWaalsContact C-N 3.28Å; D252-S254 PolarHBondContact O-N 3.46Å | ||
| 253 | Y | 60.4 | Low | 72.3 | Confident | 120 Ų | 120 | 88.1 Ų | 88.1 | 47% | 0.471 | 50% | 0.496 | S | S | . | . | trans | -73.7 | 53.9 | -158.4 | -63 | -76.6 | 0 | 0 | 0 | 115.3 | I237 W239 Q247 G255 | I237-Y253 HydrophobicContact CG2-CD1 3.16Å; I237-Y253 HydrophobicContact CG2-CE1 3.81Å; I237-Y253 HydrophobicContact CG2-CG 3.98Å; W239-Y253 HydrophobicContact CB-CE1 4.25Å; Q247-Y253 PolarHBondContact NE2-OH 3.34Å; Y253-G255 PolarHBondContact O-N 3.27Å | ||
| 254 | S | 53.5 | Low | 70.4 | Confident | 80 Ų | 80 | 91.3 Ų | 91.3 | 56% | 0.559 | 51% | 0.513 | S | S | * | . | trans | -74.3 | 109.1 | 172.7 | 55.6 | 0 | 0 | 0 | 0 | 110.2 | D252 G256 | D252-S254 VanDerWaalsContact C-N 3.28Å; D252-S254 PolarHBondContact O-N 3.46Å; S254-G256 PolarHBondContact O-N 3.39Å | ||
| 255 | G | 54.3 | Low | 68 | Low | 63 Ų | 63 | 90 Ų | 90 | 65% | 0.649 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -43.7 | 130.3 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y253 D257 | Y253-G255 PolarHBondContact O-N 3.27Å; G255-D257 PolarHBondContact O-N 2.93Å |
| 256 | G | 55.5 | Low | 65.5 | Low | 6 Ų | 6 | 94.1 Ų | 94.1 | 6% | 0.062 | 55% | 0.548 | C | S | . | . | S | Bend | trans | 73.4 | -40.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | K225 S254 | K225-G256 PolarHBondContact NZ-O 3.34Å; S254-G256 PolarHBondContact O-N 3.39Å |
| 257 | D | 61.8 | Low | 63 | Low | 114 Ų | 114 | 96.3 Ų | 96.3 | 61% | 0.61 | 56% | 0.563 | S | S | * | * | trans | -113.8 | 31.7 | -164.4 | -152.7 | 21 | 0 | 0 | 0 | 114.7 | G255 Q259 | G255-D257 PolarHBondContact O-N 2.93Å; D257-Q259 PolarHBondContact O-N 3.27Å | ||
| 258 | I | 75.3 | Confident | 60.9 | Low | 16 Ų | 16 | 99 Ų | 99 | 8% | 0.082 | 58% | 0.579 | C | S | . | * | trans | -66.1 | 125.4 | 169.2 | -172.8 | 168.9 | 0 | 0 | 0 | 110.5 | K225 C238 C240 T251 | K225-I258 HydrophobicContact CD-CG2 4.01Å; K225-I258 HydrophobicContact CG-CG2 4.23Å; K225-I258 PolarHBondContact NZ-O 3.05Å; C238-I258 HydrophobicContact CB-CG2 3.65Å; C240-I258 WeakPolarHBondContact SG-CD1 3.48Å; T251-I258 HydrophobicContact CG2-CD1 4.18Å | ||
| 259 | Q | 76.3 | Confident | 58.6 | Low | 157 Ų | 157 | 105 Ų | 105 | 73% | 0.734 | 61% | 0.61 | S | S | * | * | trans | -97.7 | 111.6 | 170 | -65.5 | -163.2 | 7 | 0 | 0 | 109.7 | D257 K261 | D257-Q259 PolarHBondContact O-N 3.27Å; Q259-K261 PolarHBondContact O-N 3.43Å | ||
| 260 | C | 81.8 | Confident | 56.5 | Low | 27 Ų | 27 | 112.2 Ų | 112.2 | 18% | 0.182 | 63% | 0.634 | C | S | . | * | trans | -85.1 | 95.5 | 175.3 | -57 | 0 | 0 | 0 | 0 | 108.6 | R224 C240 | R224-C260 HydrophobicContact CB-CB 4.25Å; R224-C260 WeakPolarHBondContact CD-O 3.48Å; R224-C260 HydrophobicContact CG-CB 3.65Å; R224-C260 PolarHBondContact NE-O 3.35Å; C240-C260 VanDerWaalsContact CA-SG 3.53Å; C240-C260 HydrophobicContact CB-CB 3.84Å; C240-C260 WeakPolarHBondContact CB-SG 3.5Å; C240-C260 WeakPolarHBondContact SG-CA 3.41Å; C240-C260 WeakPolarHBondContact SG-CB 3.18Å; C240-C260 CovalentContact SG-SG 2.03Å; C240-C260 PolarHBondContact SG-SG 3.49Å | ||
| 261 | K | 76.3 | Confident | 55.9 | Low | 173 Ų | 173 | 113.6 Ų | 113.6 | 75% | 0.752 | 62% | 0.621 | S | S | * | * | trans | -65.3 | 141.1 | 175.1 | -67.7 | -177.4 | 179.2 | -177.2 | 0 | 110.7 | R224 Q259 | R224-K261 PolarHBondContact NE-O 3.49Å; R224-K261 PolarHBondContact NH2-O 3.28Å; Q259-K261 PolarHBondContact O-N 3.43Å | ||
| 262 | D | 64.5 | Low | 55.5 | Low | 117 Ų | 117 | 117.9 Ų | 117.9 | 63% | 0.626 | 64% | 0.644 | S | S | * | * | trans | -66.8 | 133.3 | 171.8 | -63.1 | -50.1 | 0 | 0 | 0 | 111.5 | R224 E264 | R224-D262 WeakPolarHBondContact CD-OD1 3.49Å; R224-D262 VanDerWaalsContact CZ-CA 3.42Å; R224-D262 IonicContact CZ-OD1 3.25Å; R224-D262 IonicContact NE-OD1 3.57Å; R224-D262 IonicContact NH1-OD1 2.91Å; R224-D262 PolarHBondContact NH1-OD1 3.29Å; D262-E264 PolarHBondContact O-N 3.48Å | ||
| 263 | L | 58.8 | Low | 55.5 | Low | 133 Ų | 133 | 117.3 Ų | 117.3 | 70% | 0.696 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -88.7 | 11.1 | -179.1 | -79.1 | 172 | 0 | 0 | 0 | 111.3 | R224 V248 S265 | R224-L263 VanDerWaalsContact NH2-N 3.17Å; V248-L263 HydrophobicContact CG1-CD1 4.11Å; L263-S265 PolarHBondContact O-N 3.22Å |
| 264 | E | 51.6 | Low | 55.2 | Low | 187 Ų | 187 | 117.2 Ų | 117.2 | 87% | 0.874 | 65% | 0.651 | S | S | * | * | trans | -99.1 | 69.9 | 175.1 | -79.2 | -179.4 | 157.5 | 0 | 0 | 110.1 | D262 | D262-E264 PolarHBondContact O-N 3.48Š| ||
| 265 | S | 40.9 | Very low | 55.3 | Low | 107 Ų | 107 | 119.5 Ų | 119.5 | 75% | 0.748 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -159.1 | 39.5 | 160.2 | 80.6 | 0 | 0 | 0 | 0 | 113 | L263 | L263-S265 PolarHBondContact O-N 3.22Š|
| 266 | S | 37.3 | Very low | 55.4 | Low | 116 Ų | 116 | 123.3 Ų | 123.3 | 81% | 0.811 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -143.2 | 41.5 | 176.1 | -47.1 | 0 | 0 | 0 | 0 | 112.6 | ||
| 267 | S | 39.8 | Very low | 55.4 | Low | 112 Ų | 112 | 131.6 Ų | 131.6 | 78% | 0.783 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -147.7 | 52.1 | 168 | 55.1 | 0 | 0 | 0 | 0 | 110.8 | ||
| 268 | I | 42.6 | Very low | 54.9 | Low | 155 Ų | 155 | 133 Ų | 133 | 80% | 0.795 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -142.9 | 97.7 | 153.2 | -54.4 | 179.7 | 0 | 0 | 0 | 105.7 | ||
| 269 | N | 36.9 | Very low | 53.2 | Low | 155 Ų | 155 | 142.8 Ų | 142.8 | 83% | 0.829 | 76% | 0.759 | S | S | * | * | trans | 154.5 | 76.1 | 151.7 | -78 | -10.5 | 0 | 0 | 0 | 108.8 | ||||
| 270 | E | 31.7 | Very low | 51.1 | Low | 274 Ų | 274 | 141.5 Ų | 141.5 | 100% | 1.28 | 76% | 0.762 | S | S | * | * | trans | -148.1 | 0 | 134.8 | -135.8 | 174.5 | 134.1 | 0 | 0 | 108.7 |
Retrieved 270 of 270 residues in 113.5 ms
(Link to these results)